----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:56:49]------------------------- 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: Pmmn (59) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.481222020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.018213460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.085839879999999 Atomic positions (fractional): *1 K 0.50000000000000 0.50000000000000 0.43143460645613 39.098 2 K 0.00000000000000 0.00000000000000 0.56856539354387 39.098 *3 K 0.00000000000000 0.23848568768147 0.17217829379501 39.098 4 K 0.00000000000000 0.76151431231853 0.17217829379501 39.098 5 K 0.50000000000000 0.26151431231853 0.82782170620499 39.098 6 K 0.50000000000000 0.73848568768147 0.82782170620499 39.098 *7 Ge 0.21376486100174 0.50000000000000 0.94656091539659 72.640 *8 Ge 0.00000000000000 0.61393671119602 0.67753325790202 72.640 9 Ge 0.50000000000000 0.11393671119602 0.32246674209798 72.640 10 Ge 0.50000000000000 0.88606328880398 0.32246674209798 72.640 11 Ge 0.71376486100174 0.00000000000000 0.05343908460341 72.640 12 Ge 0.28623513899826 0.00000000000000 0.05343908460341 72.640 13 Ge 0.00000000000000 0.38606328880398 0.67753325790202 72.640 14 Ge 0.78623513899826 0.50000000000000 0.94656091539659 72.640 *15 Au 0.50000000000000 0.00000000000000 0.68774808016109 196.967 16 Au 0.00000000000000 0.50000000000000 0.31225191983891 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.481222020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.018213460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.085839879999999 Atomic positions (fractional): *1 K 0.50000000000000 0.50000000000000 0.43143460645613 39.098 > 1 2 K 0.00000000000000 0.00000000000000 0.56856539354387 39.098 > 2 *3 K 0.00000000000000 0.23848568768147 0.17217829379501 39.098 > 3 4 K 0.00000000000000 0.76151431231853 0.17217829379501 39.098 > 4 5 K 0.50000000000000 0.26151431231853 0.82782170620499 39.098 > 5 6 K 0.50000000000000 0.73848568768147 0.82782170620499 39.098 > 6 *7 Ge 0.21376486100174 0.50000000000000 0.94656091539659 72.640 > 7 *8 Ge 0.00000000000000 0.61393671119602 0.67753325790202 72.640 > 8 9 Ge 0.50000000000000 0.11393671119602 0.32246674209798 72.640 > 9 10 Ge 0.50000000000000 0.88606328880398 0.32246674209798 72.640 > 10 11 Ge 0.71376486100174 0.00000000000000 0.05343908460341 72.640 > 11 12 Ge 0.28623513899826 0.00000000000000 0.05343908460341 72.640 > 12 13 Ge 0.00000000000000 0.38606328880398 0.67753325790202 72.640 > 13 14 Ge 0.78623513899826 0.50000000000000 0.94656091539659 72.640 > 14 *15 Au 0.50000000000000 0.00000000000000 0.68774808016109 196.967 > 15 16 Au 0.00000000000000 0.50000000000000 0.31225191983891 196.967 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.962444039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 24.036426920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.171679759999998 Atomic positions (fractional): *1 K 0.25000000000000 0.25000000000000 0.21571730322807 39.098 > 1 2 K 0.75000000000000 0.25000000000000 0.21571730322807 39.098 > 1 3 K 0.25000000000000 0.75000000000000 0.21571730322807 39.098 > 1 4 K 0.75000000000000 0.75000000000000 0.21571730322807 39.098 > 1 5 K 0.25000000000000 0.25000000000000 0.71571730322807 39.098 > 1 6 K 0.75000000000000 0.25000000000000 0.71571730322807 39.098 > 1 7 K 0.25000000000000 0.75000000000000 0.71571730322807 39.098 > 1 8 K 0.75000000000000 0.75000000000000 0.71571730322807 39.098 > 1 9 K 0.00000000000000 0.00000000000000 0.28428269677193 39.098 > 2 10 K 0.50000000000000 0.00000000000000 0.28428269677193 39.098 > 2 11 K 0.00000000000000 0.50000000000000 0.28428269677193 39.098 > 2 12 K 0.50000000000000 0.50000000000000 0.28428269677193 39.098 > 2 13 K 0.00000000000000 0.00000000000000 0.78428269677193 39.098 > 2 14 K 0.50000000000000 0.00000000000000 0.78428269677193 39.098 > 2 15 K 0.00000000000000 0.50000000000000 0.78428269677193 39.098 > 2 16 K 0.50000000000000 0.50000000000000 0.78428269677193 39.098 > 2 *17 K 0.00000000000000 0.11924284384074 0.08608914689750 39.098 > 3 18 K 0.50000000000000 0.11924284384074 0.08608914689750 39.098 > 3 19 K 0.00000000000000 0.61924284384074 0.08608914689750 39.098 > 3 20 K 0.50000000000000 0.61924284384074 0.08608914689750 39.098 > 3 21 K 0.00000000000000 0.11924284384074 0.58608914689750 39.098 > 3 22 K 0.50000000000000 0.11924284384074 0.58608914689750 39.098 > 3 23 K 0.00000000000000 0.61924284384074 0.58608914689750 39.098 > 3 24 K 0.50000000000000 0.61924284384074 0.58608914689750 39.098 > 3 25 K 0.00000000000000 0.38075715615926 0.08608914689750 39.098 > 4 26 K 0.50000000000000 0.38075715615926 0.08608914689750 39.098 > 4 27 K 0.00000000000000 0.88075715615926 0.08608914689750 39.098 > 4 28 K 0.50000000000000 0.88075715615926 0.08608914689750 39.098 > 4 29 K 0.00000000000000 0.38075715615926 0.58608914689750 39.098 > 4 30 K 0.50000000000000 0.38075715615926 0.58608914689750 39.098 > 4 31 K 0.00000000000000 0.88075715615926 0.58608914689750 39.098 > 4 32 K 0.50000000000000 0.88075715615926 0.58608914689750 39.098 > 4 33 K 0.25000000000000 0.13075715615926 0.41391085310250 39.098 > 5 34 K 0.75000000000000 0.13075715615926 0.41391085310250 39.098 > 5 35 K 0.25000000000000 0.63075715615926 0.41391085310250 39.098 > 5 36 K 0.75000000000000 0.63075715615926 0.41391085310250 39.098 > 5 37 K 0.25000000000000 0.13075715615926 0.91391085310250 39.098 > 5 38 K 0.75000000000000 0.13075715615926 0.91391085310250 39.098 > 5 39 K 0.25000000000000 0.63075715615926 0.91391085310250 39.098 > 5 40 K 0.75000000000000 0.63075715615926 0.91391085310250 39.098 > 5 41 K 0.25000000000000 0.36924284384074 0.41391085310250 39.098 > 6 42 K 0.75000000000000 0.36924284384074 0.41391085310250 39.098 > 6 43 K 0.25000000000000 0.86924284384074 0.41391085310250 39.098 > 6 44 K 0.75000000000000 0.86924284384074 0.41391085310250 39.098 > 6 45 K 0.25000000000000 0.36924284384074 0.91391085310250 39.098 > 6 46 K 0.75000000000000 0.36924284384074 0.91391085310250 39.098 > 6 47 K 0.25000000000000 0.86924284384074 0.91391085310250 39.098 > 6 48 K 0.75000000000000 0.86924284384074 0.91391085310250 39.098 > 6 *49 Ge 0.10688243050087 0.25000000000000 0.47328045769830 72.640 > 7 50 Ge 0.60688243050087 0.25000000000000 0.47328045769830 72.640 > 7 51 Ge 0.10688243050087 0.75000000000000 0.47328045769830 72.640 > 7 52 Ge 0.60688243050087 0.75000000000000 0.47328045769830 72.640 > 7 53 Ge 0.10688243050087 0.25000000000000 0.97328045769829 72.640 > 7 54 Ge 0.60688243050087 0.25000000000000 0.97328045769829 72.640 > 7 55 Ge 0.10688243050087 0.75000000000000 0.97328045769829 72.640 > 7 56 Ge 0.60688243050087 0.75000000000000 0.97328045769829 72.640 > 7 *57 Ge 0.00000000000000 0.30696835559801 0.33876662895101 72.640 > 8 58 Ge 0.50000000000000 0.30696835559801 0.33876662895101 72.640 > 8 59 Ge 0.00000000000000 0.80696835559801 0.33876662895101 72.640 > 8 60 Ge 0.50000000000000 0.80696835559801 0.33876662895101 72.640 > 8 61 Ge 0.00000000000000 0.30696835559801 0.83876662895101 72.640 > 8 62 Ge 0.50000000000000 0.30696835559801 0.83876662895101 72.640 > 8 63 Ge 0.00000000000000 0.80696835559801 0.83876662895101 72.640 > 8 64 Ge 0.50000000000000 0.80696835559801 0.83876662895101 72.640 > 8 65 Ge 0.25000000000000 0.05696835559801 0.16123337104899 72.640 > 9 66 Ge 0.75000000000000 0.05696835559801 0.16123337104899 72.640 > 9 67 Ge 0.25000000000000 0.55696835559801 0.16123337104899 72.640 > 9 68 Ge 0.75000000000000 0.55696835559801 0.16123337104899 72.640 > 9 69 Ge 0.25000000000000 0.05696835559801 0.66123337104899 72.640 > 9 70 Ge 0.75000000000000 0.05696835559801 0.66123337104899 72.640 > 9 71 Ge 0.25000000000000 0.55696835559801 0.66123337104899 72.640 > 9 72 Ge 0.75000000000000 0.55696835559801 0.66123337104899 72.640 > 9 73 Ge 0.25000000000000 0.44303164440199 0.16123337104899 72.640 > 10 74 Ge 0.75000000000000 0.44303164440199 0.16123337104899 72.640 > 10 75 Ge 0.25000000000000 0.94303164440199 0.16123337104899 72.640 > 10 76 Ge 0.75000000000000 0.94303164440199 0.16123337104899 72.640 > 10 77 Ge 0.25000000000000 0.44303164440199 0.66123337104899 72.640 > 10 78 Ge 0.75000000000000 0.44303164440199 0.66123337104899 72.640 > 10 79 Ge 0.25000000000000 0.94303164440199 0.66123337104899 72.640 > 10 80 Ge 0.75000000000000 0.94303164440199 0.66123337104899 72.640 > 10 81 Ge 0.35688243050087 0.00000000000000 0.02671954230171 72.640 > 11 82 Ge 0.85688243050087 0.00000000000000 0.02671954230171 72.640 > 11 83 Ge 0.35688243050087 0.50000000000000 0.02671954230171 72.640 > 11 84 Ge 0.85688243050087 0.50000000000000 0.02671954230171 72.640 > 11 85 Ge 0.35688243050087 0.00000000000000 0.52671954230171 72.640 > 11 86 Ge 0.85688243050087 0.00000000000000 0.52671954230171 72.640 > 11 87 Ge 0.35688243050087 0.50000000000000 0.52671954230171 72.640 > 11 88 Ge 0.85688243050087 0.50000000000000 0.52671954230171 72.640 > 11 89 Ge 0.14311756949913 0.00000000000000 0.02671954230171 72.640 > 12 90 Ge 0.64311756949913 0.00000000000000 0.02671954230171 72.640 > 12 91 Ge 0.14311756949913 0.50000000000000 0.02671954230171 72.640 > 12 92 Ge 0.64311756949913 0.50000000000000 0.02671954230171 72.640 > 12 93 Ge 0.14311756949913 0.00000000000000 0.52671954230171 72.640 > 12 94 Ge 0.64311756949913 0.00000000000000 0.52671954230171 72.640 > 12 95 Ge 0.14311756949913 0.50000000000000 0.52671954230171 72.640 > 12 96 Ge 0.64311756949913 0.50000000000000 0.52671954230171 72.640 > 12 97 Ge 0.00000000000000 0.19303164440199 0.33876662895101 72.640 > 13 98 Ge 0.50000000000000 0.19303164440199 0.33876662895101 72.640 > 13 99 Ge 0.00000000000000 0.69303164440199 0.33876662895101 72.640 > 13 100 Ge 0.50000000000000 0.69303164440199 0.33876662895101 72.640 > 13 101 Ge 0.00000000000000 0.19303164440199 0.83876662895101 72.640 > 13 102 Ge 0.50000000000000 0.19303164440199 0.83876662895101 72.640 > 13 103 Ge 0.00000000000000 0.69303164440199 0.83876662895101 72.640 > 13 104 Ge 0.50000000000000 0.69303164440199 0.83876662895101 72.640 > 13 105 Ge 0.39311756949913 0.25000000000000 0.47328045769830 72.640 > 14 106 Ge 0.89311756949913 0.25000000000000 0.47328045769830 72.640 > 14 107 Ge 0.39311756949913 0.75000000000000 0.47328045769830 72.640 > 14 108 Ge 0.89311756949913 0.75000000000000 0.47328045769830 72.640 > 14 109 Ge 0.39311756949913 0.25000000000000 0.97328045769829 72.640 > 14 110 Ge 0.89311756949913 0.25000000000000 0.97328045769829 72.640 > 14 111 Ge 0.39311756949913 0.75000000000000 0.97328045769829 72.640 > 14 112 Ge 0.89311756949913 0.75000000000000 0.97328045769829 72.640 > 14 *113 Au 0.25000000000000 0.00000000000000 0.34387404008055 196.967 > 15 114 Au 0.75000000000000 0.00000000000000 0.34387404008055 196.967 > 15 115 Au 0.25000000000000 0.50000000000000 0.34387404008055 196.967 > 15 116 Au 0.75000000000000 0.50000000000000 0.34387404008055 196.967 > 15 117 Au 0.25000000000000 0.00000000000000 0.84387404008055 196.967 > 15 118 Au 0.75000000000000 0.00000000000000 0.84387404008055 196.967 > 15 119 Au 0.25000000000000 0.50000000000000 0.84387404008055 196.967 > 15 120 Au 0.75000000000000 0.50000000000000 0.84387404008055 196.967 > 15 121 Au 0.00000000000000 0.25000000000000 0.15612595991945 196.967 > 16 122 Au 0.50000000000000 0.25000000000000 0.15612595991945 196.967 > 16 123 Au 0.00000000000000 0.75000000000000 0.15612595991945 196.967 > 16 124 Au 0.50000000000000 0.75000000000000 0.15612595991945 196.967 > 16 125 Au 0.00000000000000 0.25000000000000 0.65612595991945 196.967 > 16 126 Au 0.50000000000000 0.25000000000000 0.65612595991945 196.967 > 16 127 Au 0.00000000000000 0.75000000000000 0.65612595991945 196.967 > 16 128 Au 0.50000000000000 0.75000000000000 0.65612595991945 196.967 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3597381 0.0000000 0.0000000 0.0000000 6.3750723 0.0000000 0.0000000 0.0000000 26.0830510 -------------------------- Born effective charges -------------------------- 1 K 1.5243479 0.0000000 0.0000000 0.0000000 0.9008298 0.0000000 0.0000000 0.0000000 1.5434719 2 K 1.5243479 0.0000000 0.0000000 0.0000000 0.9008298 0.0000000 0.0000000 0.0000000 1.5434719 3 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 -0.0933917 0.0000000 -0.2624308 0.9135937 4 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 0.0933917 0.0000000 0.2624308 0.9135937 5 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 -0.0933917 0.0000000 -0.2624308 0.9135937 6 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 0.0933917 0.0000000 0.2624308 0.9135937 7 Ge -0.3120944 0.0000000 0.0177683 0.0000000 -0.5951616 0.0000000 -0.7159419 0.0000000 -1.8033013 8 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 -0.1574310 0.0000000 0.4657755 -1.1807221 9 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 0.1574310 0.0000000 -0.4657755 -1.1807221 10 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 -0.1574310 0.0000000 0.4657755 -1.1807221 11 Ge -0.3120944 0.0000000 -0.0177683 0.0000000 -0.5951616 0.0000000 0.7159419 0.0000000 -1.8033013 12 Ge -0.3120944 0.0000000 0.0177683 0.0000000 -0.5951616 0.0000000 -0.7159419 0.0000000 -1.8033013 13 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 0.1574310 0.0000000 -0.4657755 -1.1807221 14 Ge -0.3120944 0.0000000 -0.0177683 0.0000000 -0.5951616 0.0000000 0.7159419 0.0000000 -1.8033013 15 Au -0.8937082 0.0000000 0.0000000 0.0000000 -0.7970686 0.0000000 0.0000000 0.0000000 2.5973876 16 Au -0.8937082 0.0000000 0.0000000 0.0000000 -0.7970686 0.0000000 0.0000000 0.0000000 2.5973876 ---------------------------------------------------------------------------- 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: 1326 Number of blocks in projector: 1326 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: 292 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (1326, 1305), data: False |-- (156, 156), data: True |-- (212, 210), data: True |-- (222, 217), data: True |-- (222, 217), data: True |-- (222, 217), data: True |-- (292, 288), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.901 Solver_block: 200 / 240 - Time: 1.871 Solver_block: 240 / 240 - Time: 0.818 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.621 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 1326 Number of blocks in projector: 1326 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: 292 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (1326, 1305), data: False |-- (156, 156), data: True |-- (212, 210), data: True |-- (222, 217), data: True |-- (222, 217), data: True |-- (222, 217), data: True |-- (292, 288), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 02:57:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:57:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.481222020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.018213460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.085839879999999 Atomic positions (fractional): 1 K 0.50000000000000 0.50000000000000 0.43143460645613 39.098 2 K 0.00000000000000 0.00000000000000 0.56856539354387 39.098 3 K 0.00000000000000 0.23848568768147 0.17217829379501 39.098 4 K 0.00000000000000 0.76151431231853 0.17217829379501 39.098 5 K 0.50000000000000 0.26151431231853 0.82782170620499 39.098 6 K 0.50000000000000 0.73848568768147 0.82782170620499 39.098 7 Ge 0.21376486100174 0.50000000000000 0.94656091539659 72.640 8 Ge 0.00000000000000 0.61393671119602 0.67753325790202 72.640 9 Ge 0.50000000000000 0.11393671119602 0.32246674209798 72.640 10 Ge 0.50000000000000 0.88606328880398 0.32246674209798 72.640 11 Ge 0.71376486100174 0.00000000000000 0.05343908460341 72.640 12 Ge 0.28623513899826 0.00000000000000 0.05343908460341 72.640 13 Ge 0.00000000000000 0.38606328880398 0.67753325790202 72.640 14 Ge 0.78623513899826 0.50000000000000 0.94656091539659 72.640 15 Au 0.50000000000000 0.00000000000000 0.68774808016109 196.967 16 Au 0.00000000000000 0.50000000000000 0.31225191983891 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.962444039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 24.036426920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.171679759999998 Atomic positions (fractional): 1 K 0.25000000000000 0.25000000000000 0.21571730322807 39.098 > 1 2 K 0.75000000000000 0.25000000000000 0.21571730322807 39.098 > 1 3 K 0.25000000000000 0.75000000000000 0.21571730322807 39.098 > 1 4 K 0.75000000000000 0.75000000000000 0.21571730322807 39.098 > 1 5 K 0.25000000000000 0.25000000000000 0.71571730322807 39.098 > 1 6 K 0.75000000000000 0.25000000000000 0.71571730322807 39.098 > 1 7 K 0.25000000000000 0.75000000000000 0.71571730322807 39.098 > 1 8 K 0.75000000000000 0.75000000000000 0.71571730322807 39.098 > 1 9 K 0.00000000000000 0.00000000000000 0.28428269677193 39.098 > 9 10 K 0.50000000000000 0.00000000000000 0.28428269677193 39.098 > 9 11 K 0.00000000000000 0.50000000000000 0.28428269677193 39.098 > 9 12 K 0.50000000000000 0.50000000000000 0.28428269677193 39.098 > 9 13 K 0.00000000000000 0.00000000000000 0.78428269677193 39.098 > 9 14 K 0.50000000000000 0.00000000000000 0.78428269677193 39.098 > 9 15 K 0.00000000000000 0.50000000000000 0.78428269677193 39.098 > 9 16 K 0.50000000000000 0.50000000000000 0.78428269677193 39.098 > 9 17 K 0.00000000000000 0.11924284384074 0.08608914689750 39.098 > 17 18 K 0.50000000000000 0.11924284384074 0.08608914689750 39.098 > 17 19 K 0.00000000000000 0.61924284384074 0.08608914689750 39.098 > 17 20 K 0.50000000000000 0.61924284384074 0.08608914689750 39.098 > 17 21 K 0.00000000000000 0.11924284384074 0.58608914689750 39.098 > 17 22 K 0.50000000000000 0.11924284384074 0.58608914689750 39.098 > 17 23 K 0.00000000000000 0.61924284384074 0.58608914689750 39.098 > 17 24 K 0.50000000000000 0.61924284384074 0.58608914689750 39.098 > 17 25 K 0.00000000000000 0.38075715615926 0.08608914689750 39.098 > 25 26 K 0.50000000000000 0.38075715615926 0.08608914689750 39.098 > 25 27 K 0.00000000000000 0.88075715615926 0.08608914689750 39.098 > 25 28 K 0.50000000000000 0.88075715615926 0.08608914689750 39.098 > 25 29 K 0.00000000000000 0.38075715615926 0.58608914689750 39.098 > 25 30 K 0.50000000000000 0.38075715615926 0.58608914689750 39.098 > 25 31 K 0.00000000000000 0.88075715615926 0.58608914689750 39.098 > 25 32 K 0.50000000000000 0.88075715615926 0.58608914689750 39.098 > 25 33 K 0.25000000000000 0.13075715615926 0.41391085310250 39.098 > 33 34 K 0.75000000000000 0.13075715615926 0.41391085310250 39.098 > 33 35 K 0.25000000000000 0.63075715615926 0.41391085310250 39.098 > 33 36 K 0.75000000000000 0.63075715615926 0.41391085310250 39.098 > 33 37 K 0.25000000000000 0.13075715615926 0.91391085310250 39.098 > 33 38 K 0.75000000000000 0.13075715615926 0.91391085310250 39.098 > 33 39 K 0.25000000000000 0.63075715615926 0.91391085310250 39.098 > 33 40 K 0.75000000000000 0.63075715615926 0.91391085310250 39.098 > 33 41 K 0.25000000000000 0.36924284384074 0.41391085310250 39.098 > 41 42 K 0.75000000000000 0.36924284384074 0.41391085310250 39.098 > 41 43 K 0.25000000000000 0.86924284384074 0.41391085310250 39.098 > 41 44 K 0.75000000000000 0.86924284384074 0.41391085310250 39.098 > 41 45 K 0.25000000000000 0.36924284384074 0.91391085310250 39.098 > 41 46 K 0.75000000000000 0.36924284384074 0.91391085310250 39.098 > 41 47 K 0.25000000000000 0.86924284384074 0.91391085310250 39.098 > 41 48 K 0.75000000000000 0.86924284384074 0.91391085310250 39.098 > 41 49 Ge 0.10688243050087 0.25000000000000 0.47328045769830 72.640 > 49 50 Ge 0.60688243050087 0.25000000000000 0.47328045769830 72.640 > 49 51 Ge 0.10688243050087 0.75000000000000 0.47328045769830 72.640 > 49 52 Ge 0.60688243050087 0.75000000000000 0.47328045769830 72.640 > 49 53 Ge 0.10688243050087 0.25000000000000 0.97328045769829 72.640 > 49 54 Ge 0.60688243050087 0.25000000000000 0.97328045769829 72.640 > 49 55 Ge 0.10688243050087 0.75000000000000 0.97328045769829 72.640 > 49 56 Ge 0.60688243050087 0.75000000000000 0.97328045769829 72.640 > 49 57 Ge 0.00000000000000 0.30696835559801 0.33876662895101 72.640 > 57 58 Ge 0.50000000000000 0.30696835559801 0.33876662895101 72.640 > 57 59 Ge 0.00000000000000 0.80696835559801 0.33876662895101 72.640 > 57 60 Ge 0.50000000000000 0.80696835559801 0.33876662895101 72.640 > 57 61 Ge 0.00000000000000 0.30696835559801 0.83876662895101 72.640 > 57 62 Ge 0.50000000000000 0.30696835559801 0.83876662895101 72.640 > 57 63 Ge 0.00000000000000 0.80696835559801 0.83876662895101 72.640 > 57 64 Ge 0.50000000000000 0.80696835559801 0.83876662895101 72.640 > 57 65 Ge 0.25000000000000 0.05696835559801 0.16123337104899 72.640 > 65 66 Ge 0.75000000000000 0.05696835559801 0.16123337104899 72.640 > 65 67 Ge 0.25000000000000 0.55696835559801 0.16123337104899 72.640 > 65 68 Ge 0.75000000000000 0.55696835559801 0.16123337104899 72.640 > 65 69 Ge 0.25000000000000 0.05696835559801 0.66123337104899 72.640 > 65 70 Ge 0.75000000000000 0.05696835559801 0.66123337104899 72.640 > 65 71 Ge 0.25000000000000 0.55696835559801 0.66123337104899 72.640 > 65 72 Ge 0.75000000000000 0.55696835559801 0.66123337104899 72.640 > 65 73 Ge 0.25000000000000 0.44303164440199 0.16123337104899 72.640 > 73 74 Ge 0.75000000000000 0.44303164440199 0.16123337104899 72.640 > 73 75 Ge 0.25000000000000 0.94303164440199 0.16123337104899 72.640 > 73 76 Ge 0.75000000000000 0.94303164440199 0.16123337104899 72.640 > 73 77 Ge 0.25000000000000 0.44303164440199 0.66123337104899 72.640 > 73 78 Ge 0.75000000000000 0.44303164440199 0.66123337104899 72.640 > 73 79 Ge 0.25000000000000 0.94303164440199 0.66123337104899 72.640 > 73 80 Ge 0.75000000000000 0.94303164440199 0.66123337104899 72.640 > 73 81 Ge 0.35688243050087 0.00000000000000 0.02671954230171 72.640 > 81 82 Ge 0.85688243050087 0.00000000000000 0.02671954230171 72.640 > 81 83 Ge 0.35688243050087 0.50000000000000 0.02671954230171 72.640 > 81 84 Ge 0.85688243050087 0.50000000000000 0.02671954230171 72.640 > 81 85 Ge 0.35688243050087 0.00000000000000 0.52671954230171 72.640 > 81 86 Ge 0.85688243050087 0.00000000000000 0.52671954230171 72.640 > 81 87 Ge 0.35688243050087 0.50000000000000 0.52671954230171 72.640 > 81 88 Ge 0.85688243050087 0.50000000000000 0.52671954230171 72.640 > 81 89 Ge 0.14311756949913 0.00000000000000 0.02671954230171 72.640 > 89 90 Ge 0.64311756949913 0.00000000000000 0.02671954230171 72.640 > 89 91 Ge 0.14311756949913 0.50000000000000 0.02671954230171 72.640 > 89 92 Ge 0.64311756949913 0.50000000000000 0.02671954230171 72.640 > 89 93 Ge 0.14311756949913 0.00000000000000 0.52671954230171 72.640 > 89 94 Ge 0.64311756949913 0.00000000000000 0.52671954230171 72.640 > 89 95 Ge 0.14311756949913 0.50000000000000 0.52671954230171 72.640 > 89 96 Ge 0.64311756949913 0.50000000000000 0.52671954230171 72.640 > 89 97 Ge 0.00000000000000 0.19303164440199 0.33876662895101 72.640 > 97 98 Ge 0.50000000000000 0.19303164440199 0.33876662895101 72.640 > 97 99 Ge 0.00000000000000 0.69303164440199 0.33876662895101 72.640 > 97 100 Ge 0.50000000000000 0.69303164440199 0.33876662895101 72.640 > 97 101 Ge 0.00000000000000 0.19303164440199 0.83876662895101 72.640 > 97 102 Ge 0.50000000000000 0.19303164440199 0.83876662895101 72.640 > 97 103 Ge 0.00000000000000 0.69303164440199 0.83876662895101 72.640 > 97 104 Ge 0.50000000000000 0.69303164440199 0.83876662895101 72.640 > 97 105 Ge 0.39311756949913 0.25000000000000 0.47328045769830 72.640 > 105 106 Ge 0.89311756949913 0.25000000000000 0.47328045769830 72.640 > 105 107 Ge 0.39311756949913 0.75000000000000 0.47328045769830 72.640 > 105 108 Ge 0.89311756949913 0.75000000000000 0.47328045769830 72.640 > 105 109 Ge 0.39311756949913 0.25000000000000 0.97328045769829 72.640 > 105 110 Ge 0.89311756949913 0.25000000000000 0.97328045769829 72.640 > 105 111 Ge 0.39311756949913 0.75000000000000 0.97328045769829 72.640 > 105 112 Ge 0.89311756949913 0.75000000000000 0.97328045769829 72.640 > 105 113 Au 0.25000000000000 0.00000000000000 0.34387404008055 196.967 > 113 114 Au 0.75000000000000 0.00000000000000 0.34387404008055 196.967 > 113 115 Au 0.25000000000000 0.50000000000000 0.34387404008055 196.967 > 113 116 Au 0.75000000000000 0.50000000000000 0.34387404008055 196.967 > 113 117 Au 0.25000000000000 0.00000000000000 0.84387404008055 196.967 > 113 118 Au 0.75000000000000 0.00000000000000 0.84387404008055 196.967 > 113 119 Au 0.25000000000000 0.50000000000000 0.84387404008055 196.967 > 113 120 Au 0.75000000000000 0.50000000000000 0.84387404008055 196.967 > 113 121 Au 0.00000000000000 0.25000000000000 0.15612595991945 196.967 > 121 122 Au 0.50000000000000 0.25000000000000 0.15612595991945 196.967 > 121 123 Au 0.00000000000000 0.75000000000000 0.15612595991945 196.967 > 121 124 Au 0.50000000000000 0.75000000000000 0.15612595991945 196.967 > 121 125 Au 0.00000000000000 0.25000000000000 0.65612595991945 196.967 > 121 126 Au 0.50000000000000 0.25000000000000 0.65612595991945 196.967 > 121 127 Au 0.00000000000000 0.75000000000000 0.65612595991945 196.967 > 121 128 Au 0.50000000000000 0.75000000000000 0.65612595991945 196.967 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3597381 0.0000000 0.0000000 0.0000000 6.3750723 0.0000000 0.0000000 0.0000000 26.0830510 -------------------------- Born effective charges -------------------------- 1 K 1.5243479 0.0000000 0.0000000 0.0000000 0.9008298 0.0000000 0.0000000 0.0000000 1.5434719 2 K 1.5243479 0.0000000 0.0000000 0.0000000 0.9008298 0.0000000 0.0000000 0.0000000 1.5434719 3 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 -0.0933917 0.0000000 -0.2624308 0.9135937 4 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 0.0933917 0.0000000 0.2624308 0.9135937 5 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 -0.0933917 0.0000000 -0.2624308 0.9135937 6 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 0.0933917 0.0000000 0.2624308 0.9135937 7 Ge -0.3120944 0.0000000 0.0177683 0.0000000 -0.5951616 0.0000000 -0.7159419 0.0000000 -1.8033013 8 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 -0.1574310 0.0000000 0.4657755 -1.1807221 9 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 0.1574310 0.0000000 -0.4657755 -1.1807221 10 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 -0.1574310 0.0000000 0.4657755 -1.1807221 11 Ge -0.3120944 0.0000000 -0.0177683 0.0000000 -0.5951616 0.0000000 0.7159419 0.0000000 -1.8033013 12 Ge -0.3120944 0.0000000 0.0177683 0.0000000 -0.5951616 0.0000000 -0.7159419 0.0000000 -1.8033013 13 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 0.1574310 0.0000000 -0.4657755 -1.1807221 14 Ge -0.3120944 0.0000000 -0.0177683 0.0000000 -0.5951616 0.0000000 0.7159419 0.0000000 -1.8033013 15 Au -0.8937082 0.0000000 0.0000000 0.0000000 -0.7970686 0.0000000 0.0000000 0.0000000 2.5973876 16 Au -0.8937082 0.0000000 0.0000000 0.0000000 -0.7970686 0.0000000 0.0000000 0.0000000 2.5973876 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000030 (zzz) 0.00000030 (zzz) 0.00000030 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) 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 02:57:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:57:25]------------------------- 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: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.481222020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.018213460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.085839879999999 Atomic positions (fractional): 1 K 0.50000000000000 0.50000000000000 0.43143460645613 39.098 2 K 0.00000000000000 0.00000000000000 0.56856539354387 39.098 3 K 0.00000000000000 0.23848568768147 0.17217829379501 39.098 4 K 0.00000000000000 0.76151431231853 0.17217829379501 39.098 5 K 0.50000000000000 0.26151431231853 0.82782170620499 39.098 6 K 0.50000000000000 0.73848568768147 0.82782170620499 39.098 7 Ge 0.21376486100174 0.50000000000000 0.94656091539659 72.640 8 Ge 0.00000000000000 0.61393671119602 0.67753325790202 72.640 9 Ge 0.50000000000000 0.11393671119602 0.32246674209798 72.640 10 Ge 0.50000000000000 0.88606328880398 0.32246674209798 72.640 11 Ge 0.71376486100174 0.00000000000000 0.05343908460341 72.640 12 Ge 0.28623513899826 0.00000000000000 0.05343908460341 72.640 13 Ge 0.00000000000000 0.38606328880398 0.67753325790202 72.640 14 Ge 0.78623513899826 0.50000000000000 0.94656091539659 72.640 15 Au 0.50000000000000 0.00000000000000 0.68774808016109 196.967 16 Au 0.00000000000000 0.50000000000000 0.31225191983891 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.962444039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 24.036426920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.171679759999998 Atomic positions (fractional): 1 K 0.25000000000000 0.25000000000000 0.21571730322807 39.098 > 1 2 K 0.75000000000000 0.25000000000000 0.21571730322807 39.098 > 1 3 K 0.25000000000000 0.75000000000000 0.21571730322807 39.098 > 1 4 K 0.75000000000000 0.75000000000000 0.21571730322807 39.098 > 1 5 K 0.25000000000000 0.25000000000000 0.71571730322807 39.098 > 1 6 K 0.75000000000000 0.25000000000000 0.71571730322807 39.098 > 1 7 K 0.25000000000000 0.75000000000000 0.71571730322807 39.098 > 1 8 K 0.75000000000000 0.75000000000000 0.71571730322807 39.098 > 1 9 K 0.00000000000000 0.00000000000000 0.28428269677193 39.098 > 9 10 K 0.50000000000000 0.00000000000000 0.28428269677193 39.098 > 9 11 K 0.00000000000000 0.50000000000000 0.28428269677193 39.098 > 9 12 K 0.50000000000000 0.50000000000000 0.28428269677193 39.098 > 9 13 K 0.00000000000000 0.00000000000000 0.78428269677193 39.098 > 9 14 K 0.50000000000000 0.00000000000000 0.78428269677193 39.098 > 9 15 K 0.00000000000000 0.50000000000000 0.78428269677193 39.098 > 9 16 K 0.50000000000000 0.50000000000000 0.78428269677193 39.098 > 9 17 K 0.00000000000000 0.11924284384074 0.08608914689750 39.098 > 17 18 K 0.50000000000000 0.11924284384074 0.08608914689750 39.098 > 17 19 K 0.00000000000000 0.61924284384074 0.08608914689750 39.098 > 17 20 K 0.50000000000000 0.61924284384074 0.08608914689750 39.098 > 17 21 K 0.00000000000000 0.11924284384074 0.58608914689750 39.098 > 17 22 K 0.50000000000000 0.11924284384074 0.58608914689750 39.098 > 17 23 K 0.00000000000000 0.61924284384074 0.58608914689750 39.098 > 17 24 K 0.50000000000000 0.61924284384074 0.58608914689750 39.098 > 17 25 K 0.00000000000000 0.38075715615926 0.08608914689750 39.098 > 25 26 K 0.50000000000000 0.38075715615926 0.08608914689750 39.098 > 25 27 K 0.00000000000000 0.88075715615926 0.08608914689750 39.098 > 25 28 K 0.50000000000000 0.88075715615926 0.08608914689750 39.098 > 25 29 K 0.00000000000000 0.38075715615926 0.58608914689750 39.098 > 25 30 K 0.50000000000000 0.38075715615926 0.58608914689750 39.098 > 25 31 K 0.00000000000000 0.88075715615926 0.58608914689750 39.098 > 25 32 K 0.50000000000000 0.88075715615926 0.58608914689750 39.098 > 25 33 K 0.25000000000000 0.13075715615926 0.41391085310250 39.098 > 33 34 K 0.75000000000000 0.13075715615926 0.41391085310250 39.098 > 33 35 K 0.25000000000000 0.63075715615926 0.41391085310250 39.098 > 33 36 K 0.75000000000000 0.63075715615926 0.41391085310250 39.098 > 33 37 K 0.25000000000000 0.13075715615926 0.91391085310250 39.098 > 33 38 K 0.75000000000000 0.13075715615926 0.91391085310250 39.098 > 33 39 K 0.25000000000000 0.63075715615926 0.91391085310250 39.098 > 33 40 K 0.75000000000000 0.63075715615926 0.91391085310250 39.098 > 33 41 K 0.25000000000000 0.36924284384074 0.41391085310250 39.098 > 41 42 K 0.75000000000000 0.36924284384074 0.41391085310250 39.098 > 41 43 K 0.25000000000000 0.86924284384074 0.41391085310250 39.098 > 41 44 K 0.75000000000000 0.86924284384074 0.41391085310250 39.098 > 41 45 K 0.25000000000000 0.36924284384074 0.91391085310250 39.098 > 41 46 K 0.75000000000000 0.36924284384074 0.91391085310250 39.098 > 41 47 K 0.25000000000000 0.86924284384074 0.91391085310250 39.098 > 41 48 K 0.75000000000000 0.86924284384074 0.91391085310250 39.098 > 41 49 Ge 0.10688243050087 0.25000000000000 0.47328045769830 72.640 > 49 50 Ge 0.60688243050087 0.25000000000000 0.47328045769830 72.640 > 49 51 Ge 0.10688243050087 0.75000000000000 0.47328045769830 72.640 > 49 52 Ge 0.60688243050087 0.75000000000000 0.47328045769830 72.640 > 49 53 Ge 0.10688243050087 0.25000000000000 0.97328045769829 72.640 > 49 54 Ge 0.60688243050087 0.25000000000000 0.97328045769829 72.640 > 49 55 Ge 0.10688243050087 0.75000000000000 0.97328045769829 72.640 > 49 56 Ge 0.60688243050087 0.75000000000000 0.97328045769829 72.640 > 49 57 Ge 0.00000000000000 0.30696835559801 0.33876662895101 72.640 > 57 58 Ge 0.50000000000000 0.30696835559801 0.33876662895101 72.640 > 57 59 Ge 0.00000000000000 0.80696835559801 0.33876662895101 72.640 > 57 60 Ge 0.50000000000000 0.80696835559801 0.33876662895101 72.640 > 57 61 Ge 0.00000000000000 0.30696835559801 0.83876662895101 72.640 > 57 62 Ge 0.50000000000000 0.30696835559801 0.83876662895101 72.640 > 57 63 Ge 0.00000000000000 0.80696835559801 0.83876662895101 72.640 > 57 64 Ge 0.50000000000000 0.80696835559801 0.83876662895101 72.640 > 57 65 Ge 0.25000000000000 0.05696835559801 0.16123337104899 72.640 > 65 66 Ge 0.75000000000000 0.05696835559801 0.16123337104899 72.640 > 65 67 Ge 0.25000000000000 0.55696835559801 0.16123337104899 72.640 > 65 68 Ge 0.75000000000000 0.55696835559801 0.16123337104899 72.640 > 65 69 Ge 0.25000000000000 0.05696835559801 0.66123337104899 72.640 > 65 70 Ge 0.75000000000000 0.05696835559801 0.66123337104899 72.640 > 65 71 Ge 0.25000000000000 0.55696835559801 0.66123337104899 72.640 > 65 72 Ge 0.75000000000000 0.55696835559801 0.66123337104899 72.640 > 65 73 Ge 0.25000000000000 0.44303164440199 0.16123337104899 72.640 > 73 74 Ge 0.75000000000000 0.44303164440199 0.16123337104899 72.640 > 73 75 Ge 0.25000000000000 0.94303164440199 0.16123337104899 72.640 > 73 76 Ge 0.75000000000000 0.94303164440199 0.16123337104899 72.640 > 73 77 Ge 0.25000000000000 0.44303164440199 0.66123337104899 72.640 > 73 78 Ge 0.75000000000000 0.44303164440199 0.66123337104899 72.640 > 73 79 Ge 0.25000000000000 0.94303164440199 0.66123337104899 72.640 > 73 80 Ge 0.75000000000000 0.94303164440199 0.66123337104899 72.640 > 73 81 Ge 0.35688243050087 0.00000000000000 0.02671954230171 72.640 > 81 82 Ge 0.85688243050087 0.00000000000000 0.02671954230171 72.640 > 81 83 Ge 0.35688243050087 0.50000000000000 0.02671954230171 72.640 > 81 84 Ge 0.85688243050087 0.50000000000000 0.02671954230171 72.640 > 81 85 Ge 0.35688243050087 0.00000000000000 0.52671954230171 72.640 > 81 86 Ge 0.85688243050087 0.00000000000000 0.52671954230171 72.640 > 81 87 Ge 0.35688243050087 0.50000000000000 0.52671954230171 72.640 > 81 88 Ge 0.85688243050087 0.50000000000000 0.52671954230171 72.640 > 81 89 Ge 0.14311756949913 0.00000000000000 0.02671954230171 72.640 > 89 90 Ge 0.64311756949913 0.00000000000000 0.02671954230171 72.640 > 89 91 Ge 0.14311756949913 0.50000000000000 0.02671954230171 72.640 > 89 92 Ge 0.64311756949913 0.50000000000000 0.02671954230171 72.640 > 89 93 Ge 0.14311756949913 0.00000000000000 0.52671954230171 72.640 > 89 94 Ge 0.64311756949913 0.00000000000000 0.52671954230171 72.640 > 89 95 Ge 0.14311756949913 0.50000000000000 0.52671954230171 72.640 > 89 96 Ge 0.64311756949913 0.50000000000000 0.52671954230171 72.640 > 89 97 Ge 0.00000000000000 0.19303164440199 0.33876662895101 72.640 > 97 98 Ge 0.50000000000000 0.19303164440199 0.33876662895101 72.640 > 97 99 Ge 0.00000000000000 0.69303164440199 0.33876662895101 72.640 > 97 100 Ge 0.50000000000000 0.69303164440199 0.33876662895101 72.640 > 97 101 Ge 0.00000000000000 0.19303164440199 0.83876662895101 72.640 > 97 102 Ge 0.50000000000000 0.19303164440199 0.83876662895101 72.640 > 97 103 Ge 0.00000000000000 0.69303164440199 0.83876662895101 72.640 > 97 104 Ge 0.50000000000000 0.69303164440199 0.83876662895101 72.640 > 97 105 Ge 0.39311756949913 0.25000000000000 0.47328045769830 72.640 > 105 106 Ge 0.89311756949913 0.25000000000000 0.47328045769830 72.640 > 105 107 Ge 0.39311756949913 0.75000000000000 0.47328045769830 72.640 > 105 108 Ge 0.89311756949913 0.75000000000000 0.47328045769830 72.640 > 105 109 Ge 0.39311756949913 0.25000000000000 0.97328045769829 72.640 > 105 110 Ge 0.89311756949913 0.25000000000000 0.97328045769829 72.640 > 105 111 Ge 0.39311756949913 0.75000000000000 0.97328045769829 72.640 > 105 112 Ge 0.89311756949913 0.75000000000000 0.97328045769829 72.640 > 105 113 Au 0.25000000000000 0.00000000000000 0.34387404008055 196.967 > 113 114 Au 0.75000000000000 0.00000000000000 0.34387404008055 196.967 > 113 115 Au 0.25000000000000 0.50000000000000 0.34387404008055 196.967 > 113 116 Au 0.75000000000000 0.50000000000000 0.34387404008055 196.967 > 113 117 Au 0.25000000000000 0.00000000000000 0.84387404008055 196.967 > 113 118 Au 0.75000000000000 0.00000000000000 0.84387404008055 196.967 > 113 119 Au 0.25000000000000 0.50000000000000 0.84387404008055 196.967 > 113 120 Au 0.75000000000000 0.50000000000000 0.84387404008055 196.967 > 113 121 Au 0.00000000000000 0.25000000000000 0.15612595991945 196.967 > 121 122 Au 0.50000000000000 0.25000000000000 0.15612595991945 196.967 > 121 123 Au 0.00000000000000 0.75000000000000 0.15612595991945 196.967 > 121 124 Au 0.50000000000000 0.75000000000000 0.15612595991945 196.967 > 121 125 Au 0.00000000000000 0.25000000000000 0.65612595991945 196.967 > 121 126 Au 0.50000000000000 0.25000000000000 0.65612595991945 196.967 > 121 127 Au 0.00000000000000 0.75000000000000 0.65612595991945 196.967 > 121 128 Au 0.50000000000000 0.75000000000000 0.65612595991945 196.967 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.3597381 0.0000000 0.0000000 0.0000000 6.3750723 0.0000000 0.0000000 0.0000000 26.0830510 -------------------------- Born effective charges -------------------------- 1 K 1.5243479 0.0000000 0.0000000 0.0000000 0.9008298 0.0000000 0.0000000 0.0000000 1.5434719 2 K 1.5243479 0.0000000 0.0000000 0.0000000 0.9008298 0.0000000 0.0000000 0.0000000 1.5434719 3 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 -0.0933917 0.0000000 -0.2624308 0.9135937 4 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 0.0933917 0.0000000 0.2624308 0.9135937 5 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 -0.0933917 0.0000000 -0.2624308 0.9135937 6 K 0.7542882 0.0000000 0.0000000 0.0000000 1.4578859 0.0933917 0.0000000 0.2624308 0.9135937 7 Ge -0.3120944 0.0000000 0.0177683 0.0000000 -0.5951616 0.0000000 -0.7159419 0.0000000 -1.8033013 8 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 -0.1574310 0.0000000 0.4657755 -1.1807221 9 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 0.1574310 0.0000000 -0.4657755 -1.1807221 10 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 -0.1574310 0.0000000 0.4657755 -1.1807221 11 Ge -0.3120944 0.0000000 -0.0177683 0.0000000 -0.5951616 0.0000000 0.7159419 0.0000000 -1.8033013 12 Ge -0.3120944 0.0000000 0.0177683 0.0000000 -0.5951616 0.0000000 -0.7159419 0.0000000 -1.8033013 13 Ge -0.7575136 0.0000000 0.0000000 0.0000000 -0.9146049 0.1574310 0.0000000 -0.4657755 -1.1807221 14 Ge -0.3120944 0.0000000 -0.0177683 0.0000000 -0.5951616 0.0000000 0.7159419 0.0000000 -1.8033013 15 Au -0.8937082 0.0000000 0.0000000 0.0000000 -0.7970686 0.0000000 0.0000000 0.0000000 2.5973876 16 Au -0.8937082 0.0000000 0.0000000 0.0000000 -0.7970686 0.0000000 0.0000000 0.0000000 2.5973876 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000030 (zzz) 0.00000030 (zzz) 0.00000030 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 4 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 309, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.731 ( 0.000 0.000 0.000) 0.000 0.859 ( 0.000 0.000 0.000) 0.000 1.204 ( 0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.308 ( 0.000 0.000 0.000) 0.000 1.381 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.323 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.209 ( 10.809 0.000 0.000) 10.809 0.273 ( 13.855 0.000 0.000) 13.855 0.531 ( 24.791 0.000 0.000) 24.791 0.870 ( 12.493 0.000 0.000) 12.493 0.871 ( 1.876 0.000 0.000) 1.876 1.138 ( -5.676 0.000 0.000) 5.676 1.278 ( -1.348 0.000 0.000) 1.348 1.292 ( -1.536 0.000 0.000) 1.536 1.395 ( 1.290 0.000 0.000) 1.290 1.446 ( 0.609 0.000 0.000) 0.609 1.541 ( 5.527 0.000 0.000) 5.527 1.788 ( 2.065 0.000 0.000) 2.065 1.976 ( -2.214 0.000 0.000) 2.214 2.107 ( -2.349 0.000 0.000) 2.349 2.147 ( 7.997 0.000 0.000) 7.997 2.293 ( -0.797 0.000 0.000) 0.797 2.323 ( 0.088 0.000 0.000) 0.088 2.379 ( -5.336 0.000 0.000) 5.336 2.580 ( 4.016 0.000 0.000) 4.016 2.781 ( 0.705 0.000 0.000) 0.705 2.896 ( -2.285 0.000 0.000) 2.285 2.941 ( 0.800 0.000 0.000) 0.800 3.036 ( 0.759 0.000 0.000) 0.759 3.145 ( 0.945 0.000 0.000) 0.945 3.424 ( -0.983 0.000 0.000) 0.983 3.429 ( 1.920 0.000 0.000) 1.920 3.657 ( 0.024 0.000 0.000) 0.024 3.695 ( -0.577 0.000 0.000) 0.577 3.722 ( 3.471 0.000 0.000) 3.471 3.726 ( -1.095 0.000 0.000) 1.095 3.833 ( -1.253 0.000 0.000) 1.253 3.924 ( -0.597 0.000 0.000) 0.597 3.929 ( -3.032 0.000 0.000) 3.032 4.178 ( -1.608 0.000 0.000) 1.608 4.192 ( -2.803 0.000 0.000) 2.803 4.399 ( -0.743 0.000 0.000) 0.743 5.005 ( 2.427 0.000 0.000) 2.427 5.096 ( 1.557 0.000 0.000) 1.557 5.760 ( -0.629 0.000 0.000) 0.629 5.824 ( -0.596 0.000 0.000) 0.596 5.959 ( -0.375 0.000 0.000) 0.375 5.963 ( -0.293 0.000 0.000) 0.293 6.019 ( 1.938 0.000 0.000) 1.938 6.021 ( 1.968 0.000 0.000) 1.968 6.058 ( -0.544 0.000 0.000) 0.544 6.061 ( -0.579 0.000 0.000) 0.579 7.764 ( 0.068 0.000 0.000) 0.068 7.799 ( -0.206 0.000 0.000) 0.206 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 10.061 0.000 0.000) 10.061 0.529 ( 12.583 0.000 0.000) 12.583 0.798 ( 2.338 0.000 0.000) 2.338 1.033 ( -4.399 0.000 0.000) 4.399 1.056 ( 17.045 0.000 0.000) 17.045 1.134 ( 13.368 0.000 0.000) 13.368 1.238 ( -2.780 0.000 0.000) 2.780 1.250 ( -2.787 0.000 0.000) 2.787 1.425 ( 1.617 0.000 0.000) 1.617 1.459 ( 0.672 0.000 0.000) 0.672 1.677 ( 7.891 0.000 0.000) 7.891 1.837 ( 2.814 0.000 0.000) 2.814 1.936 ( -1.780 0.000 0.000) 1.780 2.046 ( -3.685 0.000 0.000) 3.685 2.271 ( -1.379 0.000 0.000) 1.379 2.282 ( -4.515 0.000 0.000) 4.515 2.294 ( 6.213 0.000 0.000) 6.213 2.330 ( 0.708 0.000 0.000) 0.708 2.646 ( 2.829 0.000 0.000) 2.829 2.815 ( 3.115 0.000 0.000) 3.115 2.844 ( -2.903 0.000 0.000) 2.903 2.969 ( 2.213 0.000 0.000) 2.213 3.050 ( 0.461 0.000 0.000) 0.461 3.153 ( -0.378 0.000 0.000) 0.378 3.409 ( -0.354 0.000 0.000) 0.354 3.476 ( 2.601 0.000 0.000) 2.601 3.657 ( -0.090 0.000 0.000) 0.090 3.680 ( -0.950 0.000 0.000) 0.950 3.708 ( -0.753 0.000 0.000) 0.753 3.751 ( -1.645 0.000 0.000) 1.645 3.849 ( 3.566 0.000 0.000) 3.566 3.851 ( -4.499 0.000 0.000) 4.499 3.915 ( -0.119 0.000 0.000) 0.119 4.120 ( -4.350 0.000 0.000) 4.350 4.142 ( -1.652 0.000 0.000) 1.652 4.374 ( -1.949 0.000 0.000) 1.949 5.064 ( 3.374 0.000 0.000) 3.374 5.132 ( 1.901 0.000 0.000) 1.901 5.748 ( -0.422 0.000 0.000) 0.422 5.809 ( -0.965 0.000 0.000) 0.965 5.951 ( -0.351 0.000 0.000) 0.351 5.957 ( -0.342 0.000 0.000) 0.342 6.044 ( -0.789 0.000 0.000) 0.789 6.046 ( -0.848 0.000 0.000) 0.848 6.064 ( 2.459 0.000 0.000) 2.459 6.067 ( 2.495 0.000 0.000) 2.495 7.766 ( 0.167 0.000 0.000) 0.167 7.794 ( -0.365 0.000 0.000) 0.365 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.589 ( 8.171 0.000 0.000) 8.171 0.751 ( 10.274 0.000 0.000) 10.274 0.791 ( -2.126 0.000 0.000) 2.126 0.977 ( -1.915 0.000 0.000) 1.915 1.174 ( -3.454 0.000 0.000) 3.454 1.189 ( -3.334 0.000 0.000) 3.334 1.328 ( 9.713 0.000 0.000) 9.713 1.345 ( 7.814 0.000 0.000) 7.814 1.453 ( 1.199 0.000 0.000) 1.199 1.469 ( 0.295 0.000 0.000) 0.295 1.820 ( 6.276 0.000 0.000) 6.276 1.886 ( 1.976 0.000 0.000) 1.976 1.915 ( -0.259 0.000 0.000) 0.259 1.977 ( -3.251 0.000 0.000) 3.251 2.215 ( -2.087 0.000 0.000) 2.087 2.239 ( -1.894 0.000 0.000) 1.894 2.349 ( 1.160 0.000 0.000) 1.160 2.367 ( 1.519 0.000 0.000) 1.519 2.694 ( 2.299 0.000 0.000) 2.299 2.789 ( -2.724 0.000 0.000) 2.724 2.901 ( 5.268 0.000 0.000) 5.268 3.024 ( 3.207 0.000 0.000) 3.207 3.044 ( -1.274 0.000 0.000) 1.274 3.130 ( -1.898 0.000 0.000) 1.898 3.421 ( 1.770 0.000 0.000) 1.770 3.511 ( 0.385 0.000 0.000) 0.385 3.654 ( -0.175 0.000 0.000) 0.175 3.662 ( -0.775 0.000 0.000) 0.775 3.681 ( -2.204 0.000 0.000) 2.204 3.705 ( -2.536 0.000 0.000) 2.536 3.800 ( 0.304 0.000 0.000) 0.304 3.890 ( -0.608 0.000 0.000) 0.608 3.925 ( 1.229 0.000 0.000) 1.229 4.035 ( -4.253 0.000 0.000) 4.253 4.149 ( 2.993 0.000 0.000) 2.993 4.320 ( -3.672 0.000 0.000) 3.672 5.124 ( 2.674 0.000 0.000) 2.674 5.160 ( 0.872 0.000 0.000) 0.872 5.748 ( 0.406 0.000 0.000) 0.406 5.787 ( -1.251 0.000 0.000) 1.251 5.947 ( -0.115 0.000 0.000) 0.115 5.951 ( -0.286 0.000 0.000) 0.286 6.030 ( -0.568 0.000 0.000) 0.568 6.031 ( -0.631 0.000 0.000) 0.631 6.106 ( 1.698 0.000 0.000) 1.698 6.108 ( 1.605 0.000 0.000) 1.605 7.770 ( 0.295 0.000 0.000) 0.295 7.786 ( -0.439 0.000 0.000) 0.439 ======================= Grid point 4 (5/75) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -5.275 0.000 0.000) 5.275 0.720 ( 5.275 0.000 0.000) 5.275 0.912 ( -5.898 0.000 0.000) 5.898 0.912 ( 5.898 0.000 0.000) 5.898 1.141 ( -0.807 0.000 0.000) 0.807 1.141 ( 0.807 0.000 0.000) 0.807 1.421 ( -0.160 0.000 0.000) 0.160 1.421 ( 0.160 0.000 0.000) 0.160 1.468 ( -0.409 0.000 0.000) 0.409 1.468 ( 0.409 0.000 0.000) 0.409 1.896 ( -1.442 0.000 0.000) 1.442 1.896 ( 1.442 0.000 0.000) 1.442 1.928 ( -1.662 0.000 0.000) 1.662 1.928 ( 1.662 0.000 0.000) 1.662 2.207 ( -1.051 0.000 0.000) 1.051 2.207 ( 1.051 0.000 0.000) 1.051 2.370 ( -0.795 0.000 0.000) 0.795 2.370 ( 0.795 0.000 0.000) 0.795 2.739 ( -2.444 0.000 0.000) 2.444 2.739 ( 2.444 0.000 0.000) 2.444 2.994 ( -3.943 0.000 0.000) 3.943 2.994 ( 3.943 0.000 0.000) 3.943 3.084 ( -2.845 0.000 0.000) 2.845 3.084 ( 2.845 0.000 0.000) 2.845 3.475 ( -3.376 0.000 0.000) 3.376 3.475 ( 3.376 0.000 0.000) 3.376 3.653 ( -0.167 0.000 0.000) 0.167 3.653 ( 0.167 0.000 0.000) 0.167 3.666 ( -1.051 0.000 0.000) 1.051 3.666 ( 1.051 0.000 0.000) 1.051 3.843 ( -3.186 0.000 0.000) 3.186 3.843 ( 3.186 0.000 0.000) 3.186 3.965 ( -2.909 0.000 0.000) 2.909 3.965 ( 2.909 0.000 0.000) 2.909 4.235 ( -4.987 0.000 0.000) 4.987 4.235 ( 4.987 0.000 0.000) 4.987 5.160 ( -0.956 0.000 0.000) 0.956 5.160 ( 0.956 0.000 0.000) 0.956 5.763 ( -1.124 0.000 0.000) 1.124 5.763 ( 1.124 0.000 0.000) 1.124 5.947 ( -0.129 0.000 0.000) 0.129 5.947 ( 0.129 0.000 0.000) 0.129 6.025 ( -0.029 0.000 0.000) 0.029 6.025 ( 0.029 0.000 0.000) 0.029 6.124 ( -0.087 0.000 0.000) 0.087 6.124 ( 0.087 0.000 0.000) 0.087 7.777 ( -0.406 0.000 0.000) 0.406 7.777 ( 0.407 0.000 0.000) 0.407 ======================= Grid point 9 (6/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( 0.000 13.445 0.000) 13.445 0.299 ( 0.000 13.344 0.000) 13.344 0.520 ( 0.000 23.623 0.000) 23.623 0.684 ( 0.000 -4.599 0.000) 4.599 0.773 ( 0.000 -7.322 0.000) 7.322 1.201 ( 0.000 -2.956 0.000) 2.956 1.307 ( 0.000 1.442 0.000) 1.442 1.371 ( 0.000 -0.988 0.000) 0.988 1.440 ( 0.000 1.060 0.000) 1.060 1.505 ( 0.000 2.502 0.000) 2.502 1.583 ( 0.000 -1.412 0.000) 1.412 1.692 ( 0.000 -5.483 0.000) 5.483 2.003 ( 0.000 -0.829 0.000) 0.829 2.109 ( 0.000 5.834 0.000) 5.834 2.122 ( 0.000 -3.900 0.000) 3.900 2.267 ( 0.000 -3.813 0.000) 3.813 2.277 ( 0.000 -2.016 0.000) 2.016 2.324 ( 0.000 -3.295 0.000) 3.295 2.588 ( 0.000 7.611 0.000) 7.611 2.782 ( 0.000 -0.333 0.000) 0.333 2.917 ( 0.000 -0.025 0.000) 0.025 2.938 ( 0.000 0.089 0.000) 0.089 3.050 ( 0.000 1.891 0.000) 1.891 3.123 ( 0.000 -0.953 0.000) 0.953 3.383 ( 0.000 0.431 0.000) 0.431 3.405 ( 0.000 -0.403 0.000) 0.403 3.705 ( 0.000 1.425 0.000) 1.425 3.705 ( 0.000 0.372 0.000) 0.372 3.740 ( 0.000 0.767 0.000) 0.767 3.752 ( 0.000 1.052 0.000) 1.052 3.841 ( 0.000 -0.578 0.000) 0.578 3.900 ( 0.000 -2.638 0.000) 2.638 3.943 ( 0.000 0.241 0.000) 0.241 3.956 ( 0.000 -0.268 0.000) 0.268 4.422 ( 0.000 1.622 0.000) 1.622 4.543 ( 0.000 -2.925 0.000) 2.925 4.995 ( 0.000 1.348 0.000) 1.348 5.065 ( 0.000 -1.318 0.000) 1.318 5.777 ( 0.000 0.879 0.000) 0.879 5.821 ( 0.000 -0.813 0.000) 0.813 5.962 ( 0.000 -0.099 0.000) 0.099 5.965 ( 0.000 -0.198 0.000) 0.198 5.995 ( 0.000 0.082 0.000) 0.082 5.999 ( 0.000 -0.091 0.000) 0.091 6.064 ( 0.000 0.101 0.000) 0.101 6.069 ( 0.000 -0.108 0.000) 0.108 7.768 ( 0.000 0.480 0.000) 0.480 7.795 ( 0.000 -0.536 0.000) 0.536 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.259 ( 5.160 8.429 0.000) 9.883 0.329 ( 4.572 8.882 0.000) 9.989 0.743 ( 5.704 6.235 0.000) 8.450 0.798 ( 9.284 -6.298 0.000) 11.219 0.818 ( 13.272 2.479 0.000) 13.502 1.166 ( -1.899 0.424 0.000) 1.946 1.300 ( -0.942 1.918 0.000) 2.137 1.377 ( -0.303 -0.602 0.000) 0.674 1.426 ( -0.712 -1.196 0.000) 1.392 1.427 ( -5.995 3.486 0.000) 6.935 1.584 ( 5.108 3.624 0.000) 6.263 1.742 ( 4.250 -3.482 0.000) 5.494 1.985 ( -1.636 0.443 0.000) 1.694 2.085 ( -2.738 -2.536 0.000) 3.732 2.154 ( 2.740 0.825 0.000) 2.861 2.212 ( -2.926 -4.335 0.000) 5.230 2.299 ( 3.087 1.058 0.000) 3.263 2.449 ( 4.281 -3.199 0.000) 5.344 2.583 ( 1.187 6.057 0.000) 6.172 2.781 ( 0.076 -0.824 0.000) 0.827 2.899 ( -1.594 0.576 0.000) 1.695 2.940 ( 0.355 -0.278 0.000) 0.451 3.056 ( 0.484 1.717 0.000) 1.784 3.132 ( 0.638 -1.239 0.000) 1.393 3.413 ( 1.701 0.059 0.000) 1.702 3.429 ( 2.295 -0.066 0.000) 2.296 3.684 ( -1.846 1.177 0.000) 2.189 3.697 ( -0.802 0.123 0.000) 0.812 3.738 ( -1.230 0.992 0.000) 1.581 3.742 ( 1.452 1.542 0.000) 2.118 3.819 ( -1.213 -0.911 0.000) 1.517 3.876 ( -2.498 -2.815 0.000) 3.764 3.951 ( -0.373 0.630 0.000) 0.732 3.995 ( 2.665 -3.626 0.000) 4.500 4.403 ( -9.209 3.914 0.000) 10.006 4.405 ( -1.649 0.584 0.000) 1.749 5.019 ( 2.332 1.328 0.000) 2.684 5.089 ( 1.814 -1.049 0.000) 2.096 5.770 ( -0.633 0.880 0.000) 1.084 5.815 ( -0.607 -0.833 0.000) 1.031 5.958 ( -0.327 -0.059 0.000) 0.332 5.961 ( -0.285 -0.182 0.000) 0.338 6.017 ( 2.038 -0.033 0.000) 2.039 6.020 ( 1.969 -0.090 0.000) 1.971 6.059 ( -0.550 0.093 0.000) 0.558 6.062 ( -0.648 -0.002 0.000) 0.648 7.769 ( 0.035 0.450 0.000) 0.451 7.794 ( -0.157 -0.495 0.000) 0.519 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 6.789 2.842 0.000) 7.360 0.459 ( 12.489 -2.444 0.000) 12.725 0.759 ( -0.211 -2.896 0.000) 2.904 0.924 ( 2.656 -8.604 0.000) 9.005 1.146 ( 15.438 6.985 0.000) 16.945 1.203 ( 4.502 4.661 0.000) 6.480 1.274 ( -0.260 2.833 0.000) 2.845 1.313 ( -3.461 2.810 0.000) 4.458 1.418 ( 1.560 -0.679 0.000) 1.701 1.430 ( 1.301 -2.454 0.000) 2.778 1.715 ( 7.534 3.416 0.000) 8.272 1.826 ( 4.040 -0.891 0.000) 4.137 1.946 ( -2.260 0.697 0.000) 2.365 2.017 ( -4.098 -2.461 0.000) 4.780 2.159 ( -2.305 -4.868 0.000) 5.386 2.172 ( -0.360 -4.643 0.000) 4.657 2.392 ( 5.037 4.750 0.000) 6.924 2.467 ( -0.485 5.103 0.000) 5.126 2.641 ( 3.490 0.800 0.000) 3.581 2.787 ( 0.339 -2.343 0.000) 2.367 2.875 ( -0.162 2.281 0.000) 2.287 2.958 ( 1.562 -1.099 0.000) 1.910 3.063 ( 0.130 1.162 0.000) 1.169 3.135 ( -0.530 -1.621 0.000) 1.705 3.431 ( 0.466 1.882 0.000) 1.939 3.481 ( 2.651 0.227 0.000) 2.660 3.662 ( -0.617 0.515 0.000) 0.804 3.681 ( -0.598 0.066 0.000) 0.602 3.714 ( -1.055 0.652 0.000) 1.240 3.746 ( -1.702 -0.486 0.000) 1.770 3.806 ( -4.486 -2.617 0.000) 5.194 3.822 ( 1.179 -2.277 0.000) 2.564 3.952 ( 0.704 2.114 0.000) 2.228 4.030 ( 1.917 -2.971 0.000) 3.535 4.256 ( -6.313 4.768 0.000) 7.911 4.363 ( -2.682 -1.070 0.000) 2.888 5.074 ( 3.058 0.979 0.000) 3.211 5.126 ( 1.873 -0.706 0.000) 2.002 5.757 ( -0.497 0.828 0.000) 0.966 5.800 ( -0.875 -0.785 0.000) 1.176 5.951 ( -0.295 0.023 0.000) 0.296 5.955 ( -0.285 -0.142 0.000) 0.318 6.045 ( -0.789 0.079 0.000) 0.793 6.047 ( -0.840 0.016 0.000) 0.840 6.063 ( 2.482 -0.009 0.000) 2.482 6.066 ( 2.489 -0.086 0.000) 2.490 7.770 ( 0.108 0.363 0.000) 0.379 7.789 ( -0.270 -0.371 0.000) 0.459 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 6.203 -0.646 0.000) 6.237 0.679 ( 8.050 -6.053 0.000) 10.072 0.753 ( 1.053 -0.913 0.000) 1.394 0.941 ( -0.634 -5.354 0.000) 5.391 1.194 ( -1.968 2.949 0.000) 3.546 1.246 ( -2.998 3.690 0.000) 4.754 1.354 ( 4.146 2.025 0.000) 4.614 1.363 ( 5.397 2.523 0.000) 5.958 1.462 ( 3.380 0.178 0.000) 3.385 1.476 ( 3.051 -0.248 0.000) 3.061 1.845 ( 5.393 2.111 0.000) 5.791 1.889 ( 2.224 0.164 0.000) 2.230 1.909 ( -1.144 -0.526 0.000) 1.260 1.943 ( -3.168 -2.692 0.000) 4.158 2.128 ( -0.776 -4.135 0.000) 4.207 2.156 ( -1.191 -4.791 0.000) 4.937 2.456 ( 1.535 5.167 0.000) 5.390 2.461 ( 0.005 6.148 0.000) 6.148 2.699 ( 2.615 0.691 0.000) 2.705 2.777 ( -1.341 -1.312 0.000) 1.876 2.914 ( 3.781 1.325 0.000) 4.007 2.995 ( 1.825 -1.974 0.000) 2.688 3.058 ( -0.511 0.747 0.000) 0.905 3.112 ( -1.764 -1.566 0.000) 2.359 3.448 ( 1.609 2.349 0.000) 2.847 3.515 ( 0.538 0.114 0.000) 0.550 3.653 ( -0.383 0.101 0.000) 0.396 3.673 ( -0.350 1.140 0.000) 1.193 3.684 ( -2.804 0.241 0.000) 2.814 3.703 ( -2.204 -0.128 0.000) 2.208 3.745 ( -0.184 -3.456 0.000) 3.461 3.817 ( -1.723 -4.690 0.000) 4.996 3.983 ( 2.505 3.869 0.000) 4.609 4.090 ( 2.929 1.092 0.000) 3.126 4.155 ( -3.082 2.455 0.000) 3.940 4.300 ( -3.942 -1.966 0.000) 4.405 5.128 ( 2.327 0.374 0.000) 2.357 5.155 ( 0.952 -0.525 0.000) 1.087 5.754 ( 0.173 0.561 0.000) 0.587 5.782 ( -0.999 -0.489 0.000) 1.112 5.947 ( -0.096 0.079 0.000) 0.124 5.950 ( -0.212 -0.041 0.000) 0.216 6.031 ( -0.570 0.074 0.000) 0.574 6.032 ( -0.614 0.042 0.000) 0.615 6.105 ( 1.681 -0.014 0.000) 1.681 6.107 ( 1.609 -0.086 0.000) 1.611 7.773 ( 0.203 0.224 0.000) 0.302 7.784 ( -0.317 -0.181 0.000) 0.365 ======================= Grid point 13 (10/75) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -3.934 -2.809 0.000) 4.834 0.673 ( 3.934 -2.809 0.000) 4.834 0.875 ( -6.409 -3.965 0.000) 7.536 0.875 ( 6.410 -3.966 0.000) 7.538 1.193 ( -1.912 4.128 0.000) 4.549 1.193 ( 1.912 4.128 0.000) 4.550 1.396 ( -0.531 0.311 0.000) 0.616 1.396 ( 0.532 0.311 0.000) 0.616 1.510 ( -0.341 1.215 0.000) 1.261 1.510 ( 0.341 1.215 0.000) 1.262 1.900 ( -0.233 -1.587 0.000) 1.604 1.900 ( 0.234 -1.588 0.000) 1.605 1.911 ( -0.287 0.282 0.000) 0.403 1.911 ( 0.287 0.281 0.000) 0.401 2.132 ( -1.010 -3.943 0.000) 4.070 2.132 ( 1.010 -3.943 0.000) 4.071 2.465 ( -0.177 5.645 0.000) 5.647 2.465 ( 0.177 5.645 0.000) 5.647 2.744 ( -2.034 0.316 0.000) 2.058 2.744 ( 2.034 0.316 0.000) 2.058 2.986 ( -2.908 -0.613 0.000) 2.972 2.986 ( 2.908 -0.613 0.000) 2.972 3.072 ( -2.034 -0.866 0.000) 2.211 3.072 ( 2.034 -0.866 0.000) 2.211 3.492 ( -2.545 1.409 0.000) 2.909 3.492 ( 2.545 1.409 0.000) 2.909 3.649 ( -0.266 -0.341 0.000) 0.432 3.649 ( 0.266 -0.341 0.000) 0.433 3.674 ( -0.636 0.755 0.000) 0.988 3.674 ( 0.637 0.755 0.000) 0.988 3.774 ( -2.305 -4.231 0.000) 4.818 3.774 ( 2.305 -4.231 0.000) 4.818 4.046 ( -3.915 5.328 0.000) 6.612 4.046 ( 3.915 5.328 0.000) 6.612 4.212 ( -5.042 -2.158 0.000) 5.484 4.212 ( 5.043 -2.158 0.000) 5.485 5.158 ( -0.722 -0.174 0.000) 0.742 5.158 ( 0.722 -0.174 0.000) 0.742 5.764 ( -0.796 0.044 0.000) 0.798 5.764 ( 0.796 0.044 0.000) 0.798 5.947 ( -0.089 0.054 0.000) 0.104 5.947 ( 0.089 0.054 0.000) 0.104 6.026 ( -0.019 0.065 0.000) 0.068 6.026 ( 0.019 0.065 0.000) 0.068 6.123 ( -0.064 -0.058 0.000) 0.086 6.123 ( 0.064 -0.058 0.000) 0.086 7.778 ( -0.287 0.033 0.000) 0.289 7.778 ( 0.287 0.033 0.000) 0.289 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 -9.372 0.000) 9.372 0.538 ( 0.000 9.372 0.000) 9.372 0.551 ( 0.000 -11.725 0.000) 11.725 0.551 ( 0.000 11.725 0.000) 11.725 0.980 ( 0.000 -17.547 0.000) 17.547 0.980 ( 0.000 17.547 0.000) 17.547 1.342 ( 0.000 -1.685 0.000) 1.685 1.342 ( 0.000 1.685 0.000) 1.685 1.514 ( 0.000 -4.762 0.000) 4.762 1.514 ( 0.000 4.762 0.000) 4.762 1.581 ( 0.000 -4.707 0.000) 4.707 1.581 ( 0.000 4.707 0.000) 4.707 2.033 ( 0.000 -3.630 0.000) 3.630 2.033 ( 0.000 3.630 0.000) 3.630 2.231 ( 0.000 -5.458 0.000) 5.458 2.231 ( 0.000 5.458 0.000) 5.458 2.239 ( 0.000 -0.889 0.000) 0.889 2.239 ( 0.000 0.889 0.000) 0.889 2.726 ( 0.000 -5.085 0.000) 5.085 2.726 ( 0.000 5.085 0.000) 5.085 2.929 ( 0.000 -0.870 0.000) 0.870 2.929 ( 0.000 0.870 0.000) 0.870 3.092 ( 0.000 -1.919 0.000) 1.919 3.092 ( 0.000 1.919 0.000) 1.919 3.394 ( 0.000 -0.615 0.000) 0.615 3.394 ( 0.000 0.615 0.000) 0.615 3.713 ( 0.000 -0.285 0.000) 0.285 3.713 ( 0.000 0.285 0.000) 0.285 3.766 ( 0.000 -0.377 0.000) 0.377 3.766 ( 0.000 0.377 0.000) 0.377 3.845 ( 0.000 -1.769 0.000) 1.769 3.845 ( 0.000 1.769 0.000) 1.769 3.949 ( 0.000 -0.358 0.000) 0.358 3.949 ( 0.000 0.358 0.000) 0.358 4.474 ( 0.000 -3.214 0.000) 3.214 4.474 ( 0.000 3.215 0.000) 3.215 5.030 ( 0.000 -1.888 0.000) 1.888 5.030 ( 0.000 1.888 0.000) 1.888 5.799 ( 0.000 -1.189 0.000) 1.189 5.799 ( 0.000 1.189 0.000) 1.189 5.961 ( 0.000 -0.083 0.000) 0.083 5.961 ( 0.000 0.083 0.000) 0.083 5.997 ( 0.000 -0.123 0.000) 0.123 5.997 ( 0.000 0.123 0.000) 0.123 6.067 ( 0.000 -0.121 0.000) 0.121 6.067 ( 0.000 0.121 0.000) 0.121 7.781 ( 0.000 -0.715 0.000) 0.715 7.781 ( 0.000 0.716 0.000) 0.716 ======================= Grid point 20 (12/75) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.455 ( -1.879 -2.362 0.000) 3.018 0.455 ( -1.879 2.363 0.000) 3.019 0.673 ( 5.470 -0.658 0.000) 5.510 0.673 ( 5.470 0.658 0.000) 5.509 1.059 ( 8.365 -10.574 0.000) 13.483 1.059 ( 8.365 10.574 0.000) 13.483 1.345 ( -0.051 -2.113 0.000) 2.113 1.345 ( -0.051 2.113 0.000) 2.114 1.437 ( -4.667 -1.528 0.000) 4.911 1.437 ( -4.667 1.529 0.000) 4.911 1.662 ( 6.219 -3.921 0.000) 7.352 1.662 ( 6.219 3.921 0.000) 7.352 2.018 ( -1.551 -2.995 0.000) 3.373 2.018 ( -1.551 2.995 0.000) 3.373 2.165 ( -3.258 -0.596 0.000) 3.312 2.165 ( -3.258 0.596 0.000) 3.312 2.357 ( 7.238 -4.257 0.000) 8.396 2.357 ( 7.238 4.257 0.000) 8.396 2.718 ( -0.644 -5.300 0.000) 5.339 2.718 ( -0.644 5.300 0.000) 5.339 2.923 ( -0.414 -1.331 0.000) 1.394 2.923 ( -0.414 1.331 0.000) 1.394 3.097 ( 0.257 -2.020 0.000) 2.036 3.097 ( 0.257 2.020 0.000) 2.036 3.423 ( 2.549 -0.529 0.000) 2.603 3.423 ( 2.549 0.529 0.000) 2.603 3.697 ( -1.383 -0.180 0.000) 1.395 3.697 ( -1.383 0.180 0.000) 1.395 3.759 ( -0.887 -0.537 0.000) 1.037 3.759 ( -0.887 0.537 0.000) 1.037 3.823 ( -1.744 -1.829 0.000) 2.528 3.823 ( -1.744 1.830 0.000) 2.528 3.961 ( 0.899 -0.583 0.000) 1.072 3.961 ( 0.899 0.583 0.000) 1.072 4.421 ( -4.581 -0.674 0.000) 4.631 4.421 ( -4.581 0.674 0.000) 4.631 5.055 ( 2.197 -1.947 0.000) 2.936 5.055 ( 2.197 1.947 0.000) 2.936 5.792 ( -0.629 -1.203 0.000) 1.358 5.792 ( -0.629 1.203 0.000) 1.358 5.958 ( -0.274 -0.087 0.000) 0.288 5.958 ( -0.274 0.088 0.000) 0.288 6.018 ( 1.987 -0.097 0.000) 1.990 6.018 ( 1.987 0.097 0.000) 1.990 6.061 ( -0.579 -0.089 0.000) 0.586 6.061 ( -0.579 0.089 0.000) 0.586 7.781 ( -0.052 -0.668 0.000) 0.670 7.781 ( -0.052 0.668 0.000) 0.670 ======================= Grid point 22 (13/75) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 4.506 -0.953 0.000) 4.605 0.484 ( 4.505 0.954 0.000) 4.605 0.751 ( 3.094 -4.803 0.000) 5.713 0.751 ( 3.093 4.802 0.000) 5.712 1.262 ( 10.167 -1.735 0.000) 10.314 1.262 ( 10.168 1.735 0.000) 10.315 1.317 ( -1.752 -1.229 0.000) 2.140 1.317 ( -1.751 1.229 0.000) 2.139 1.397 ( 0.298 -0.598 0.000) 0.668 1.397 ( 0.298 0.598 0.000) 0.668 1.789 ( 6.302 -2.953 0.000) 6.959 1.789 ( 6.301 2.953 0.000) 6.959 1.969 ( -3.485 -1.770 0.000) 3.909 1.969 ( -3.486 1.770 0.000) 3.909 2.112 ( -1.922 -0.516 0.000) 1.990 2.112 ( -1.922 0.516 0.000) 1.990 2.475 ( 4.427 -2.921 0.000) 5.303 2.475 ( 4.427 2.921 0.000) 5.303 2.714 ( 0.479 -4.619 0.000) 4.644 2.714 ( 0.479 4.619 0.000) 4.644 2.924 ( 0.711 -2.149 0.000) 2.263 2.924 ( 0.711 2.149 0.000) 2.263 3.095 ( -0.491 -1.898 0.000) 1.960 3.095 ( -0.491 1.898 0.000) 1.960 3.470 ( 1.956 -1.444 0.000) 2.431 3.470 ( 1.956 1.444 0.000) 2.431 3.676 ( -0.539 -0.636 0.000) 0.833 3.676 ( -0.539 0.636 0.000) 0.834 3.732 ( -1.719 -0.842 0.000) 1.914 3.732 ( -1.719 0.842 0.000) 1.914 3.782 ( -2.637 -0.768 0.000) 2.746 3.782 ( -2.637 0.768 0.000) 2.746 3.989 ( 2.374 -1.555 0.000) 2.838 3.989 ( 2.374 1.555 0.000) 2.838 4.328 ( -4.744 -2.423 0.000) 5.327 4.328 ( -4.744 2.423 0.000) 5.327 5.101 ( 2.373 -1.493 0.000) 2.804 5.101 ( 2.373 1.493 0.000) 2.804 5.779 ( -0.679 -1.140 0.000) 1.327 5.779 ( -0.679 1.140 0.000) 1.327 5.953 ( -0.238 -0.103 0.000) 0.259 5.953 ( -0.238 0.103 0.000) 0.259 6.047 ( -0.807 -0.047 0.000) 0.808 6.047 ( -0.807 0.047 0.000) 0.808 6.064 ( 2.488 -0.078 0.000) 2.489 6.064 ( 2.488 0.078 0.000) 2.489 7.780 ( -0.064 -0.520 0.000) 0.524 7.780 ( -0.064 0.520 0.000) 0.524 ======================= Grid point 24 (14/75) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.588 ( 5.039 -2.288 0.000) 5.534 0.588 ( 5.038 2.288 0.000) 5.533 0.799 ( 1.761 -5.766 0.000) 6.029 0.799 ( 1.760 5.766 0.000) 6.028 1.262 ( -1.852 -2.159 0.000) 2.845 1.262 ( -1.851 2.160 0.000) 2.845 1.413 ( 0.946 -1.067 0.000) 1.426 1.413 ( 0.946 1.067 0.000) 1.426 1.447 ( 6.445 -1.013 0.000) 6.524 1.447 ( 6.445 1.013 0.000) 6.524 1.883 ( 2.509 -1.004 0.000) 2.702 1.883 ( 2.508 1.004 0.000) 2.701 1.904 ( -2.025 -0.501 0.000) 2.086 1.904 ( -2.026 0.501 0.000) 2.087 2.092 ( -0.366 -0.818 0.000) 0.896 2.092 ( -0.366 0.818 0.000) 0.896 2.524 ( 1.063 -0.613 0.000) 1.227 2.524 ( 1.063 0.613 0.000) 1.227 2.733 ( 1.208 -2.488 0.000) 2.766 2.733 ( 1.208 2.488 0.000) 2.766 2.952 ( 1.961 -2.100 0.000) 2.874 2.952 ( 1.961 2.100 0.000) 2.874 3.078 ( -1.214 -1.366 0.000) 1.828 3.078 ( -1.214 1.366 0.000) 1.828 3.498 ( 1.173 -1.928 0.000) 2.257 3.498 ( 1.173 1.928 0.000) 2.257 3.667 ( -1.171 -1.304 0.000) 1.753 3.667 ( -1.172 1.304 0.000) 1.753 3.701 ( -0.915 -0.004 0.000) 0.915 3.701 ( -0.915 0.004 0.000) 0.915 3.730 ( -2.160 -3.260 0.000) 3.910 3.730 ( -2.160 3.260 0.000) 3.911 4.056 ( 4.365 -2.960 0.000) 5.274 4.056 ( 4.365 2.960 0.000) 5.274 4.238 ( -4.630 -3.920 0.000) 6.066 4.238 ( -4.630 3.920 0.000) 6.066 5.140 ( 1.518 -0.779 0.000) 1.706 5.140 ( 1.518 0.779 0.000) 1.706 5.768 ( -0.403 -0.746 0.000) 0.847 5.768 ( -0.403 0.746 0.000) 0.847 5.949 ( -0.109 -0.079 0.000) 0.134 5.949 ( -0.109 0.079 0.000) 0.134 6.032 ( -0.584 -0.020 0.000) 0.584 6.032 ( -0.584 0.020 0.000) 0.584 6.106 ( 1.636 -0.058 0.000) 1.637 6.106 ( 1.636 0.058 0.000) 1.637 7.779 ( -0.042 -0.286 0.000) 0.289 7.779 ( -0.042 0.286 0.000) 0.289 ======================= Grid point 26 (15/75) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.000 0.000 0.000) 0.000 0.642 ( 0.000 0.000 0.000) 0.000 0.816 ( 0.000 0.000 0.000) 0.000 0.816 ( 0.002 0.000 0.000) 0.002 1.243 ( 0.000 0.000 0.000) 0.000 1.243 ( 0.000 0.001 0.000) 0.001 1.423 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 0.000) 0.000 1.509 ( 0.000 -0.000 0.000) 0.000 1.509 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 -0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 -0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 -0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.513 ( -0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.643 ( -0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.702 ( -0.000 0.002 0.000) 0.002 3.705 ( 0.001 -0.002 0.000) 0.002 3.705 ( 0.000 0.000 0.000) 0.000 4.145 ( -0.005 0.004 0.000) 0.007 4.145 ( 0.012 0.010 0.000) 0.016 4.148 ( -0.012 -0.010 0.000) 0.015 4.148 ( 0.005 -0.004 0.000) 0.007 5.156 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 7.778 ( 0.000 0.000 0.000) 0.000 7.778 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.215 ( 0.000 0.000 11.143) 11.143 0.217 ( 0.000 0.000 9.762) 9.762 0.731 ( 0.000 0.000 0.435) 0.435 0.854 ( 0.000 0.000 40.705) 40.705 1.054 ( 0.000 0.000 -9.417) 9.417 1.162 ( 0.000 0.000 24.558) 24.558 1.304 ( 0.000 0.000 1.215) 1.215 1.314 ( 0.000 0.000 -1.688) 1.688 1.386 ( 0.000 0.000 0.433) 0.433 1.400 ( 0.000 0.000 -2.750) 2.750 1.459 ( 0.000 0.000 -2.004) 2.004 1.724 ( 0.000 0.000 -4.030) 4.030 1.955 ( 0.000 0.000 -4.855) 4.855 2.044 ( 0.000 0.000 1.147) 1.147 2.111 ( 0.000 0.000 -2.696) 2.696 2.355 ( 0.000 0.000 -0.385) 0.385 2.367 ( 0.000 0.000 0.196) 0.196 2.424 ( 0.000 0.000 8.330) 8.330 2.475 ( 0.000 0.000 0.917) 0.917 2.797 ( 0.000 0.000 2.029) 2.029 2.876 ( 0.000 0.000 -3.314) 3.314 2.942 ( 0.000 0.000 -0.224) 0.224 3.018 ( 0.000 0.000 -0.833) 0.833 3.134 ( 0.000 0.000 0.186) 0.186 3.357 ( 0.000 0.000 -1.998) 1.998 3.392 ( 0.000 0.000 -1.725) 1.725 3.615 ( 0.000 0.000 -3.564) 3.564 3.637 ( 0.000 0.000 -4.568) 4.568 3.676 ( 0.000 0.000 -2.384) 2.384 3.781 ( 0.000 0.000 -4.301) 4.301 3.943 ( 0.000 0.000 -0.649) 0.649 3.950 ( 0.000 0.000 0.963) 0.963 3.968 ( 0.000 0.000 3.089) 3.089 3.970 ( 0.000 0.000 1.097) 1.097 4.206 ( 0.000 0.000 -1.210) 1.210 4.365 ( 0.000 0.000 -4.318) 4.318 4.994 ( 0.000 0.000 1.301) 1.301 5.089 ( 0.000 0.000 0.817) 0.817 5.688 ( 0.000 0.000 -6.929) 6.929 5.743 ( 0.000 0.000 -6.915) 6.915 5.992 ( 0.000 0.000 1.977) 1.977 5.994 ( 0.000 0.000 0.010) 0.010 6.003 ( 0.000 0.000 0.236) 0.236 6.014 ( 0.000 0.000 2.951) 2.951 6.056 ( 0.000 0.000 -0.568) 0.568 6.070 ( 0.000 0.000 0.104) 0.104 7.752 ( 0.000 0.000 -1.119) 1.119 7.790 ( 0.000 0.000 -1.356) 1.356 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 10.101 0.000 5.426) 11.466 0.524 ( 19.748 0.000 5.846) 20.595 0.854 ( 10.414 0.000 4.656) 11.407 0.902 ( 6.209 0.000 31.221) 31.833 1.028 ( -2.392 0.000 -7.534) 7.904 1.158 ( -0.287 0.000 23.704) 23.706 1.270 ( -2.638 0.000 -0.804) 2.758 1.302 ( -1.640 0.000 -0.210) 1.654 1.399 ( 1.275 0.000 -0.059) 1.277 1.418 ( 1.423 0.000 -1.375) 1.979 1.520 ( 5.787 0.000 -1.698) 6.031 1.746 ( 2.225 0.000 -3.870) 4.464 1.891 ( -3.492 0.000 -5.266) 6.318 2.078 ( -2.043 0.000 -2.931) 3.572 2.147 ( 5.928 0.000 -0.375) 5.940 2.291 ( -3.471 0.000 -0.058) 3.472 2.369 ( -2.239 0.000 -0.206) 2.249 2.434 ( 0.899 0.000 8.467) 8.515 2.529 ( 4.710 0.000 -0.465) 4.733 2.797 ( 0.367 0.000 1.495) 1.539 2.866 ( -1.039 0.000 -2.663) 2.858 2.941 ( 0.161 0.000 -0.180) 0.242 3.032 ( 1.231 0.000 -0.222) 1.251 3.146 ( 0.778 0.000 -0.007) 0.778 3.363 ( 0.556 0.000 -2.318) 2.384 3.409 ( 1.767 0.000 -1.916) 2.606 3.615 ( -0.055 0.000 -3.585) 3.586 3.670 ( 2.551 0.000 -5.263) 5.849 3.671 ( -0.452 0.000 -2.333) 2.377 3.754 ( -1.703 0.000 -1.965) 2.600 3.905 ( -1.689 0.000 2.621) 3.118 3.949 ( -2.106 0.000 1.712) 2.714 3.960 ( -0.647 0.000 3.062) 3.129 3.988 ( 1.204 0.000 -4.601) 4.756 4.179 ( -2.623 0.000 -1.050) 2.825 4.347 ( -1.608 0.000 -4.447) 4.728 5.018 ( 2.371 0.000 1.255) 2.683 5.105 ( 1.533 0.000 0.789) 1.724 5.683 ( -0.454 0.000 -6.679) 6.694 5.739 ( -0.441 0.000 -6.802) 6.816 5.985 ( -0.413 0.000 1.641) 1.692 5.998 ( -0.090 0.000 1.549) 1.551 6.022 ( 1.470 0.000 0.884) 1.716 6.029 ( 1.857 0.000 0.469) 1.916 6.050 ( -0.524 0.000 -0.552) 0.761 6.064 ( -0.621 0.000 0.078) 0.626 7.752 ( 0.056 0.000 -1.123) 1.125 7.787 ( -0.264 0.000 -1.311) 1.337 ======================= Grid point 47 (18/75) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 10.934 0.000 1.838) 11.088 0.801 ( 8.873 0.000 19.456) 21.384 0.980 ( -2.223 0.000 -4.171) 4.726 1.051 ( 9.171 0.000 17.591) 19.838 1.118 ( 12.387 0.000 0.888) 12.419 1.167 ( 3.041 0.000 17.159) 17.426 1.214 ( -3.059 0.000 -1.396) 3.363 1.254 ( -3.298 0.000 -0.545) 3.343 1.428 ( 1.525 0.000 0.088) 1.527 1.446 ( 1.395 0.000 -0.402) 1.452 1.658 ( 7.945 0.000 -1.561) 8.097 1.801 ( 3.219 0.000 -3.320) 4.624 1.845 ( -1.256 0.000 -6.258) 6.383 2.015 ( -3.980 0.000 -3.054) 5.017 2.229 ( -2.860 0.000 -1.296) 3.140 2.251 ( 4.453 0.000 -1.520) 4.705 2.309 ( -3.476 0.000 0.424) 3.502 2.447 ( 0.005 0.000 6.536) 6.536 2.618 ( 4.133 0.000 -1.074) 4.270 2.832 ( 3.565 0.000 1.760) 3.975 2.838 ( -1.748 0.000 -0.749) 1.902 2.958 ( 1.652 0.000 -0.807) 1.839 3.054 ( 0.854 0.000 0.633) 1.062 3.148 ( -0.821 0.000 -0.539) 0.982 3.378 ( 1.140 0.000 -1.568) 1.938 3.458 ( 3.039 0.000 -1.772) 3.518 3.613 ( -0.113 0.000 -3.577) 3.579 3.659 ( -0.765 0.000 -2.211) 2.339 3.688 ( -0.214 0.000 -3.938) 3.944 3.742 ( -0.770 0.000 -1.324) 1.532 3.877 ( -4.272 0.000 2.286) 4.845 3.904 ( 0.417 0.000 2.794) 2.825 3.948 ( -0.415 0.000 2.818) 2.849 3.998 ( 0.872 0.000 -6.987) 7.041 4.113 ( -3.976 0.000 -0.556) 4.014 4.312 ( -1.932 0.000 -4.691) 5.073 5.076 ( 3.303 0.000 1.145) 3.495 5.140 ( 1.905 0.000 0.766) 2.053 5.675 ( -0.276 0.000 -6.343) 6.349 5.727 ( -0.786 0.000 -6.605) 6.652 5.977 ( -0.350 0.000 1.623) 1.660 5.990 ( -0.546 0.000 2.282) 2.347 6.038 ( -0.735 0.000 -0.502) 0.890 6.048 ( -0.935 0.000 -0.000) 0.935 6.060 ( 2.231 0.000 -0.250) 2.245 6.071 ( 2.193 0.000 -0.217) 2.204 7.754 ( 0.146 0.000 -1.137) 1.146 7.780 ( -0.397 0.000 -1.278) 1.338 ======================= Grid point 48 (19/75) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 9.222 0.000 -0.342) 9.229 0.933 ( 5.732 0.000 24.407) 25.071 0.947 ( -1.499 0.000 -2.507) 2.921 1.089 ( -1.841 0.000 24.085) 24.155 1.157 ( -2.634 0.000 -1.086) 2.849 1.181 ( -3.806 0.000 -0.774) 3.884 1.308 ( 7.563 0.000 -2.024) 7.830 1.322 ( 7.290 0.000 0.799) 7.334 1.455 ( 1.208 0.000 0.169) 1.220 1.467 ( 0.702 0.000 0.137) 0.715 1.800 ( 6.133 0.000 -1.835) 6.402 1.841 ( 0.751 0.000 -5.683) 5.732 1.859 ( 2.377 0.000 -2.564) 3.496 1.937 ( -3.894 0.000 -3.559) 5.276 2.187 ( -1.230 0.000 -1.497) 1.938 2.243 ( -3.243 0.000 -0.405) 3.268 2.322 ( 3.166 0.000 -1.060) 3.339 2.427 ( -1.964 0.000 2.843) 3.455 2.688 ( 3.326 0.000 0.082) 3.327 2.800 ( -2.276 0.000 0.885) 2.442 2.924 ( 5.320 0.000 2.338) 5.812 3.003 ( 2.905 0.000 -1.705) 3.368 3.056 ( -0.909 0.000 1.266) 1.559 3.115 ( -2.381 0.000 -1.386) 2.755 3.416 ( 2.959 0.000 0.013) 2.959 3.506 ( 1.290 0.000 -0.515) 1.389 3.613 ( 0.209 0.000 -3.310) 3.317 3.642 ( -0.989 0.000 -2.281) 2.486 3.690 ( -0.001 0.000 -2.115) 2.115 3.709 ( -2.119 0.000 -0.358) 2.149 3.790 ( -2.895 0.000 0.862) 3.020 3.879 ( -3.252 0.000 -2.163) 3.906 3.950 ( 0.679 0.000 2.186) 2.289 4.037 ( -3.698 0.000 0.257) 3.706 4.071 ( 5.857 0.000 -3.976) 7.079 4.265 ( -3.249 0.000 -4.227) 5.331 5.135 ( 2.611 0.000 1.020) 2.803 5.169 ( 0.911 0.000 0.810) 1.219 5.675 ( 0.383 0.000 -6.208) 6.219 5.709 ( -1.044 0.000 -6.426) 6.510 5.972 ( -0.130 0.000 1.647) 1.652 5.980 ( -0.479 0.000 2.082) 2.137 6.025 ( -0.467 0.000 -0.409) 0.621 6.031 ( -0.756 0.000 -0.126) 0.767 6.099 ( 1.623 0.000 -0.710) 1.772 6.106 ( 1.310 0.000 -0.588) 1.436 7.758 ( 0.266 0.000 -1.167) 1.197 7.772 ( -0.430 0.000 -1.255) 1.326 ======================= Grid point 49 (20/75) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.889 ( -5.301 0.000 -1.849) 5.614 0.889 ( 5.302 0.000 -1.849) 5.615 1.029 ( -4.175 0.000 24.167) 24.525 1.029 ( 4.175 0.000 24.167) 24.525 1.132 ( -0.661 0.000 -0.626) 0.911 1.132 ( 0.662 0.000 -0.626) 0.911 1.388 ( -0.508 0.000 -1.987) 2.051 1.388 ( 0.508 0.000 -1.987) 2.051 1.471 ( -0.363 0.000 0.274) 0.455 1.471 ( 0.363 0.000 0.274) 0.455 1.873 ( -2.557 0.000 -4.562) 5.229 1.873 ( 2.557 0.000 -4.562) 5.230 1.874 ( -1.287 0.000 -2.136) 2.494 1.874 ( 1.288 0.000 -2.136) 2.494 2.191 ( -1.714 0.000 -1.194) 2.089 2.191 ( 1.714 0.000 -1.194) 2.089 2.379 ( -2.768 0.000 0.366) 2.792 2.379 ( 2.768 0.000 0.366) 2.792 2.749 ( -2.955 0.000 1.114) 3.158 2.749 ( 2.955 0.000 1.114) 3.158 3.013 ( -3.562 0.000 1.924) 4.049 3.013 ( 3.562 0.000 1.924) 4.049 3.062 ( -3.006 0.000 -1.955) 3.586 3.062 ( 3.006 0.000 -1.955) 3.586 3.484 ( -3.339 0.000 0.741) 3.420 3.484 ( 3.339 0.000 0.741) 3.420 3.623 ( -0.828 0.000 -2.749) 2.871 3.623 ( 0.828 0.000 -2.750) 2.872 3.681 ( -0.240 0.000 0.215) 0.322 3.681 ( 0.240 0.000 0.215) 0.322 3.807 ( -3.433 0.000 -2.876) 4.478 3.807 ( 3.433 0.000 -2.875) 4.478 3.978 ( -2.271 0.000 1.255) 2.595 3.978 ( 2.271 0.000 1.255) 2.595 4.183 ( -5.223 0.000 -3.615) 6.352 4.183 ( 5.223 0.000 -3.615) 6.352 5.170 ( -0.901 0.000 0.905) 1.277 5.170 ( 0.901 0.000 0.905) 1.277 5.689 ( -0.961 0.000 -6.268) 6.341 5.689 ( 0.961 0.000 -6.268) 6.341 5.973 ( -0.198 0.000 1.801) 1.812 5.973 ( 0.198 0.000 1.801) 1.812 6.022 ( -0.164 0.000 -0.275) 0.320 6.022 ( 0.164 0.000 -0.275) 0.320 6.117 ( -0.204 0.000 -0.799) 0.824 6.117 ( 0.204 0.000 -0.799) 0.824 7.764 ( -0.377 0.000 -1.213) 1.270 7.764 ( 0.377 0.000 -1.213) 1.270 ======================= Grid point 54 (21/75) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 0.000 10.173 5.690) 11.656 0.492 ( 0.000 16.724 6.544) 17.959 0.688 ( 0.000 -4.187 0.828) 4.268 0.882 ( 0.000 1.621 24.103) 24.157 0.988 ( 0.000 -2.539 13.271) 13.512 1.232 ( 0.000 4.060 11.996) 12.665 1.318 ( 0.000 1.259 1.005) 1.611 1.334 ( 0.000 -1.385 -4.432) 4.643 1.376 ( 0.000 -0.942 0.467) 1.051 1.392 ( 0.000 0.104 -2.621) 2.623 1.485 ( 0.000 2.398 -2.098) 3.186 1.660 ( 0.000 -4.922 -3.141) 5.839 1.936 ( 0.000 -0.563 -4.940) 4.972 2.062 ( 0.000 -4.109 -3.278) 5.256 2.111 ( 0.000 5.283 0.258) 5.289 2.319 ( 0.000 -3.339 -0.449) 3.369 2.332 ( 0.000 -2.576 4.673) 5.336 2.351 ( 0.000 -2.660 3.081) 4.070 2.603 ( 0.000 7.235 1.994) 7.505 2.792 ( 0.000 -1.087 0.605) 1.244 2.889 ( 0.000 1.241 -1.907) 2.276 2.939 ( 0.000 -0.410 -0.243) 0.476 3.042 ( 0.000 2.053 -0.675) 2.161 3.123 ( 0.000 -1.099 0.047) 1.100 3.361 ( 0.000 0.431 -2.011) 2.057 3.386 ( 0.000 -0.499 -1.830) 1.897 3.589 ( 0.000 -0.545 -4.888) 4.918 3.633 ( 0.000 -1.446 -4.407) 4.638 3.727 ( 0.000 4.021 -3.197) 5.136 3.799 ( 0.000 1.556 -1.518) 2.173 3.879 ( 0.000 -3.094 -0.272) 3.106 3.952 ( 0.000 0.257 0.976) 1.009 3.958 ( 0.000 -2.727 4.622) 5.367 3.967 ( 0.000 -0.294 1.071) 1.110 4.264 ( 0.000 4.083 -6.486) 7.665 4.361 ( 0.000 -0.607 -5.242) 5.277 5.008 ( 0.000 1.295 1.250) 1.801 5.075 ( 0.000 -1.234 0.906) 1.531 5.696 ( 0.000 0.776 -6.906) 6.950 5.736 ( 0.000 -0.703 -6.903) 6.939 5.993 ( 0.000 0.087 2.139) 2.141 5.995 ( 0.000 0.121 0.047) 0.130 6.002 ( 0.000 -0.124 0.206) 0.241 6.008 ( 0.000 -0.521 2.856) 2.903 6.060 ( 0.000 0.326 -0.392) 0.510 6.071 ( 0.000 -0.050 -0.015) 0.052 7.757 ( 0.000 0.473 -1.130) 1.225 7.784 ( 0.000 -0.540 -1.281) 1.390 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 5.310 6.757 8.793) 12.296 0.685 ( 11.561 8.746 10.063) 17.647 0.774 ( 7.518 -6.018 1.246) 9.710 0.941 ( 7.212 2.143 11.785) 13.982 0.988 ( 0.293 -0.793 15.919) 15.942 1.213 ( -1.064 3.709 12.526) 13.107 1.289 ( -2.115 0.689 -1.476) 2.670 1.336 ( -0.775 1.590 -0.469) 1.830 1.370 ( 0.554 -2.352 -1.246) 2.719 1.408 ( 1.183 -0.746 -0.041) 1.399 1.554 ( 6.274 3.021 -1.791) 7.190 1.704 ( 3.990 -3.165 -3.471) 6.163 1.906 ( -2.418 0.979 -5.331) 5.935 2.033 ( -2.556 -3.802 -3.405) 5.708 2.146 ( 1.976 0.570 -0.614) 2.146 2.246 ( -3.463 -3.342 1.387) 5.009 2.356 ( 2.271 0.366 3.375) 4.084 2.437 ( 4.290 -1.532 1.351) 4.752 2.600 ( 0.353 5.922 1.635) 6.153 2.783 ( -0.593 -1.641 -0.045) 1.745 2.883 ( -0.437 1.581 -1.109) 1.980 2.940 ( 0.237 -0.331 -0.103) 0.420 3.052 ( 0.859 1.779 -0.200) 1.985 3.132 ( 0.602 -1.271 -0.012) 1.406 3.374 ( 1.109 0.905 -2.406) 2.799 3.405 ( 1.900 -0.337 -2.169) 2.903 3.601 ( 1.072 -0.503 -4.307) 4.467 3.638 ( 0.546 -1.658 -4.027) 4.389 3.720 ( -0.998 2.803 -4.005) 4.989 3.781 ( -1.083 2.221 0.177) 2.478 3.857 ( -1.651 -2.957 0.430) 3.414 3.932 ( -2.277 -1.689 4.088) 4.975 3.966 ( 0.504 -0.476 -0.743) 1.017 3.971 ( 0.273 -0.682 1.461) 1.635 4.236 ( -2.732 3.975 -5.619) 7.405 4.339 ( -1.911 -0.869 -4.910) 5.339 5.031 ( 2.219 1.185 1.157) 2.769 5.093 ( 1.685 -1.091 0.737) 2.138 5.691 ( -0.447 0.791 -6.687) 6.748 5.731 ( -0.437 -0.708 -6.776) 6.826 5.985 ( -0.400 0.059 1.747) 1.793 5.995 ( -0.268 -0.274 1.798) 1.839 6.021 ( 1.637 -0.011 0.624) 1.752 6.026 ( 1.857 -0.204 0.434) 1.918 6.054 ( -0.524 0.311 -0.368) 0.712 6.064 ( -0.612 -0.045 -0.001) 0.614 7.757 ( 0.021 0.440 -1.135) 1.217 7.781 ( -0.203 -0.486 -1.263) 1.369 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 10.344 1.080 5.731) 11.875 0.800 ( 3.081 -3.844 17.251) 17.941 0.938 ( 5.558 -1.144 5.226) 7.714 1.002 ( 1.479 -2.815 14.791) 15.129 1.137 ( 9.579 3.149 -0.751) 10.111 1.231 ( 3.032 4.878 8.755) 10.471 1.256 ( 0.131 2.215 -1.001) 2.434 1.307 ( -1.524 2.577 1.869) 3.529 1.399 ( 2.133 -2.328 -1.026) 3.320 1.433 ( 1.411 -1.072 0.677) 1.897 1.694 ( 7.556 2.983 -1.684) 8.296 1.788 ( 4.182 -0.804 -3.564) 5.553 1.863 ( -1.704 1.140 -5.565) 5.930 1.969 ( -3.810 -3.660 -3.514) 6.345 2.157 ( -0.771 -3.479 -0.201) 3.569 2.201 ( -1.318 -3.160 1.196) 3.626 2.400 ( 1.589 4.634 -0.373) 4.913 2.480 ( 0.427 1.701 2.096) 2.733 2.637 ( 3.155 2.216 0.186) 3.860 2.783 ( 0.529 -2.924 -0.250) 2.982 2.884 ( 1.001 2.432 0.810) 2.752 2.955 ( 1.377 -0.485 -0.241) 1.480 3.066 ( 0.385 1.083 0.505) 1.255 3.132 ( -0.829 -1.397 -0.278) 1.648 3.398 ( 1.493 1.739 -1.906) 2.981 3.455 ( 2.942 -0.395 -2.284) 3.745 3.623 ( 1.031 0.729 -3.110) 3.356 3.647 ( 0.046 -0.794 -2.771) 2.883 3.693 ( -1.182 0.673 -3.833) 4.067 3.758 ( -1.932 0.886 -0.073) 2.127 3.826 ( -2.292 -3.218 1.409) 4.194 3.873 ( -3.334 -2.199 2.975) 4.980 3.972 ( 0.438 0.913 1.873) 2.129 3.987 ( 1.964 -0.483 -3.203) 3.788 4.170 ( -3.763 4.143 -3.613) 6.661 4.299 ( -2.227 -1.422 -4.551) 5.262 5.084 ( 3.009 0.813 1.025) 3.281 5.131 ( 2.022 -0.851 0.662) 2.291 5.683 ( -0.347 0.746 -6.371) 6.423 5.720 ( -0.707 -0.650 -6.560) 6.630 5.978 ( -0.325 0.084 1.717) 1.749 5.987 ( -0.460 -0.263 2.180) 2.243 6.040 ( -0.725 0.195 -0.436) 0.868 6.047 ( -0.794 -0.101 -0.116) 0.809 6.062 ( 2.125 0.145 -0.171) 2.137 6.069 ( 2.123 -0.146 -0.148) 2.133 7.758 ( 0.081 0.347 -1.154) 1.208 7.776 ( -0.303 -0.353 -1.254) 1.338 ======================= Grid point 57 (24/75) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 9.160 -0.663 2.873) 9.623 0.856 ( 2.581 -4.022 10.642) 11.666 0.973 ( -0.346 -2.366 17.161) 17.327 1.019 ( -0.590 -3.341 12.966) 13.403 1.189 ( -0.422 3.769 0.328) 3.807 1.250 ( -1.776 3.925 3.718) 5.690 1.331 ( 4.260 2.620 -1.863) 5.337 1.352 ( 4.227 2.060 0.450) 4.724 1.448 ( 2.687 -1.219 -1.236) 3.199 1.464 ( 1.785 -0.643 -0.085) 1.900 1.818 ( 4.013 1.071 -2.997) 5.122 1.839 ( 1.293 0.211 -4.232) 4.431 1.865 ( 2.157 0.244 -2.778) 3.526 1.898 ( -3.165 -2.865 -3.512) 5.528 2.141 ( -0.377 -2.846 0.473) 2.910 2.178 ( -1.389 -3.359 1.152) 3.813 2.419 ( 0.808 5.375 -2.568) 6.012 2.469 ( -1.327 2.841 -0.029) 3.136 2.701 ( 3.196 1.164 0.574) 3.449 2.785 ( -0.684 -1.607 0.814) 1.927 2.934 ( 3.801 1.045 1.823) 4.343 2.992 ( 2.228 -1.054 -0.524) 2.520 3.061 ( -0.937 0.484 0.729) 1.282 3.101 ( -2.165 -1.147 -0.898) 2.610 3.439 ( 2.795 1.932 -0.396) 3.420 3.504 ( 1.698 -0.442 -1.061) 2.050 3.630 ( -0.392 1.680 -2.022) 2.658 3.643 ( -0.279 0.475 -3.039) 3.088 3.688 ( 0.306 -0.416 -2.491) 2.544 3.713 ( -2.248 0.300 0.032) 2.268 3.756 ( -3.287 -2.553 2.426) 4.818 3.815 ( -2.997 -4.071 -0.504) 5.080 3.987 ( 1.308 2.255 0.403) 2.638 4.054 ( 3.032 -0.638 -5.681) 6.471 4.106 ( -1.476 4.254 0.258) 4.511 4.248 ( -3.207 -1.661 -3.629) 5.120 5.138 ( 2.298 0.278 0.941) 2.498 5.163 ( 1.054 -0.594 0.753) 1.425 5.681 ( 0.176 0.503 -6.225) 6.248 5.705 ( -0.834 -0.398 -6.384) 6.451 5.973 ( -0.129 0.097 1.692) 1.699 5.979 ( -0.371 -0.100 1.998) 2.035 6.027 ( -0.513 0.142 -0.374) 0.651 6.031 ( -0.716 -0.021 -0.178) 0.738 6.099 ( 1.564 0.057 -0.667) 1.701 6.105 ( 1.341 -0.134 -0.577) 1.466 7.760 ( 0.175 0.206 -1.186) 1.216 7.770 ( -0.317 -0.172 -1.248) 1.299 ======================= Grid point 58 (25/75) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -3.783 -1.735 2.533) 4.872 0.858 ( 3.785 -1.736 2.533) 4.874 0.980 ( -2.181 -3.967 17.416) 17.995 0.980 ( 2.180 -3.967 17.417) 17.995 1.207 ( -2.098 5.181 3.994) 6.870 1.207 ( 2.098 5.182 3.993) 6.870 1.380 ( -0.810 0.640 -1.243) 1.616 1.380 ( 0.810 0.640 -1.243) 1.616 1.483 ( -0.423 -0.156 -1.630) 1.691 1.483 ( 0.423 -0.156 -1.630) 1.691 1.847 ( -1.540 -1.766 -4.126) 4.745 1.847 ( 1.540 -1.766 -4.126) 4.745 1.885 ( -0.648 0.537 -2.390) 2.534 1.885 ( 0.648 0.537 -2.390) 2.534 2.150 ( -1.227 -2.570 0.874) 2.979 2.150 ( 1.227 -2.570 0.874) 2.979 2.440 ( -1.425 4.047 -2.073) 4.765 2.440 ( 1.425 4.047 -2.073) 4.765 2.755 ( -2.314 0.348 1.231) 2.644 2.755 ( 2.314 0.348 1.231) 2.644 3.003 ( -2.484 -0.776 1.510) 3.009 3.003 ( 2.484 -0.776 1.510) 3.009 3.058 ( -1.879 -0.331 -1.178) 2.242 3.058 ( 1.879 -0.331 -1.178) 2.242 3.497 ( -2.507 1.021 0.339) 2.728 3.497 ( 2.508 1.021 0.339) 2.729 3.630 ( -0.696 0.780 -2.416) 2.632 3.630 ( 0.696 0.781 -2.415) 2.632 3.683 ( -0.391 0.189 0.322) 0.540 3.683 ( 0.391 0.189 0.322) 0.540 3.760 ( -2.440 -3.527 -1.126) 4.434 3.760 ( 2.440 -3.527 -1.126) 4.434 4.025 ( -2.599 3.293 -2.031) 4.661 4.025 ( 2.600 3.293 -2.031) 4.661 4.171 ( -4.643 -1.000 -2.174) 5.224 4.171 ( 4.644 -1.000 -2.174) 5.224 5.167 ( -0.667 -0.226 0.857) 1.109 5.167 ( 0.667 -0.226 0.857) 1.109 5.689 ( -0.679 0.054 -6.254) 6.291 5.689 ( 0.679 0.054 -6.254) 6.291 5.974 ( -0.139 0.043 1.781) 1.787 5.974 ( 0.139 0.043 1.781) 1.787 6.023 ( -0.115 0.058 -0.292) 0.319 6.023 ( 0.115 0.058 -0.292) 0.319 6.117 ( -0.146 -0.050 -0.781) 0.796 6.117 ( 0.146 -0.050 -0.781) 0.796 7.765 ( -0.266 0.025 -1.222) 1.251 7.765 ( 0.266 0.025 -1.222) 1.251 ======================= Grid point 63 (26/75) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.557 ( 0.000 -8.279 2.233) 8.575 0.557 ( 0.000 8.279 2.234) 8.575 0.769 ( 0.000 -9.812 10.033) 14.033 0.769 ( 0.000 9.812 10.034) 14.034 1.131 ( 0.000 -11.255 15.127) 18.855 1.131 ( 0.000 11.255 15.127) 18.854 1.349 ( 0.000 -1.534 0.645) 1.664 1.349 ( 0.000 1.534 0.645) 1.664 1.367 ( 0.000 -3.367 -3.828) 5.098 1.367 ( 0.000 3.367 -3.828) 5.098 1.557 ( 0.000 -4.464 -2.407) 5.072 1.557 ( 0.000 4.465 -2.407) 5.072 1.971 ( 0.000 -3.794 -4.480) 5.871 1.971 ( 0.000 3.794 -4.480) 5.871 2.226 ( 0.000 -5.315 -0.381) 5.329 2.226 ( 0.000 5.316 -0.381) 5.329 2.311 ( 0.000 -0.752 4.532) 4.594 2.311 ( 0.000 0.752 4.532) 4.594 2.732 ( 0.000 -4.764 0.380) 4.779 2.732 ( 0.000 4.764 0.380) 4.780 2.920 ( 0.000 -1.423 -0.624) 1.554 2.920 ( 0.000 1.423 -0.624) 1.554 3.089 ( 0.000 -2.135 -0.305) 2.157 3.089 ( 0.000 2.135 -0.305) 2.157 3.373 ( 0.000 -0.676 -1.981) 2.094 3.373 ( 0.000 0.676 -1.982) 2.094 3.600 ( 0.000 -1.345 -5.599) 5.758 3.600 ( 0.000 1.345 -5.599) 5.758 3.800 ( 0.000 -2.478 -2.678) 3.649 3.800 ( 0.000 2.478 -2.678) 3.649 3.880 ( 0.000 -3.721 3.488) 5.100 3.880 ( 0.000 3.721 3.488) 5.100 3.959 ( 0.000 -0.387 1.017) 1.089 3.959 ( 0.000 0.387 1.017) 1.089 4.332 ( 0.000 -2.262 -7.057) 7.411 4.332 ( 0.000 2.262 -7.057) 7.411 5.042 ( 0.000 -1.789 1.097) 2.099 5.042 ( 0.000 1.789 1.097) 2.099 5.716 ( 0.000 -1.044 -6.891) 6.969 5.716 ( 0.000 1.044 -6.891) 6.969 5.997 ( 0.000 -0.392 2.526) 2.556 5.997 ( 0.000 0.392 2.526) 2.556 5.999 ( 0.000 -0.174 0.130) 0.217 5.999 ( 0.000 0.174 0.130) 0.217 6.067 ( 0.000 -0.299 -0.157) 0.337 6.067 ( 0.000 0.299 -0.157) 0.337 7.770 ( 0.000 -0.712 -1.181) 1.379 7.770 ( 0.000 0.712 -1.181) 1.379 ======================= Grid point 65 (27/75) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 1.960 -10.907 5.929) 12.568 0.572 ( 1.959 10.907 5.930) 12.569 0.855 ( 6.979 -6.078 10.690) 14.140 0.855 ( 6.979 6.078 10.691) 14.140 1.144 ( 2.172 -9.246 9.900) 13.719 1.144 ( 2.172 9.246 9.900) 13.719 1.329 ( -1.511 -2.458 -0.500) 2.928 1.329 ( -1.511 2.458 -0.500) 2.928 1.376 ( 0.791 -2.338 -0.197) 2.476 1.376 ( 0.791 2.339 -0.197) 2.476 1.629 ( 6.268 -3.892 -2.539) 7.802 1.629 ( 6.267 3.892 -2.539) 7.802 1.950 ( -2.104 -3.477 -4.667) 6.189 1.950 ( -2.104 3.477 -4.667) 6.189 2.181 ( -2.706 -2.629 0.694) 3.836 2.181 ( -2.706 2.629 0.694) 3.836 2.388 ( 5.440 -2.449 2.435) 6.443 2.388 ( 5.440 2.449 2.435) 6.443 2.718 ( -1.116 -4.672 -0.037) 4.803 2.718 ( -1.116 4.672 -0.037) 4.803 2.920 ( 0.115 -1.584 -0.181) 1.599 2.920 ( 0.115 1.584 -0.181) 1.599 3.096 ( 0.461 -2.138 -0.082) 2.189 3.096 ( 0.461 2.139 -0.082) 2.189 3.393 ( 1.882 -0.806 -2.448) 3.191 3.393 ( 1.882 0.806 -2.448) 3.191 3.608 ( 0.871 -1.065 -4.793) 4.986 3.608 ( 0.871 1.065 -4.793) 4.986 3.778 ( -2.121 -2.607 -2.246) 4.042 3.778 ( -2.121 2.607 -2.246) 4.042 3.867 ( -1.318 -3.581 3.381) 5.098 3.867 ( -1.318 3.581 3.381) 5.098 3.964 ( 0.406 -0.276 0.531) 0.723 3.964 ( 0.406 0.276 0.531) 0.723 4.305 ( -2.485 -2.465 -6.179) 7.101 4.305 ( -2.486 2.465 -6.179) 7.102 5.063 ( 1.950 -1.675 0.898) 2.723 5.063 ( 1.950 1.675 0.898) 2.723 5.712 ( -0.437 -1.058 -6.723) 6.820 5.712 ( -0.437 1.058 -6.723) 6.820 5.988 ( -0.384 -0.258 1.920) 1.975 5.988 ( -0.384 0.258 1.920) 1.975 6.023 ( 1.808 -0.146 0.408) 1.859 6.023 ( 1.808 0.146 0.408) 1.859 6.061 ( -0.570 -0.273 -0.129) 0.645 6.061 ( -0.570 0.273 -0.129) 0.645 7.769 ( -0.080 -0.653 -1.184) 1.355 7.769 ( -0.080 0.653 -1.184) 1.355 ======================= Grid point 67 (28/75) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 5.431 -8.693 7.945) 12.969 0.645 ( 5.431 8.694 7.945) 12.969 0.951 ( 2.161 -1.895 16.743) 16.988 0.951 ( 2.161 1.895 16.744) 16.988 1.238 ( 5.945 -4.533 -2.725) 7.957 1.238 ( 5.945 4.533 -2.725) 7.957 1.311 ( 0.803 -2.279 3.277) 4.071 1.311 ( 0.803 2.279 3.277) 4.071 1.395 ( 1.106 -2.315 0.782) 2.682 1.395 ( 1.106 2.315 0.782) 2.682 1.757 ( 6.221 -2.497 -2.822) 7.273 1.757 ( 6.220 2.497 -2.822) 7.273 1.898 ( -2.914 -2.609 -4.652) 6.078 1.898 ( -2.914 2.610 -4.652) 6.078 2.140 ( -1.457 -1.802 1.341) 2.677 2.140 ( -1.457 1.802 1.341) 2.677 2.473 ( 2.704 -2.260 -0.133) 3.526 2.473 ( 2.704 2.260 -0.133) 3.526 2.709 ( 0.658 -4.019 -0.086) 4.073 2.709 ( 0.658 4.019 -0.086) 4.073 2.931 ( 1.114 -1.837 0.510) 2.208 2.931 ( 1.114 1.837 0.510) 2.208 3.097 ( -0.466 -1.763 0.223) 1.837 3.097 ( -0.466 1.763 0.223) 1.837 3.436 ( 2.300 -1.492 -2.519) 3.723 3.436 ( 2.300 1.492 -2.519) 3.723 3.634 ( 1.772 -0.437 -3.224) 3.705 3.634 ( 1.772 0.437 -3.224) 3.705 3.729 ( -2.634 -2.696 -1.697) 4.134 3.729 ( -2.634 2.696 -1.697) 4.134 3.823 ( -3.427 -2.189 2.744) 4.905 3.823 ( -3.427 2.189 2.744) 4.905 3.981 ( 1.652 -0.189 -0.564) 1.756 3.981 ( 1.652 0.189 -0.564) 1.756 4.250 ( -2.977 -3.221 -4.458) 6.254 4.250 ( -2.977 3.221 -4.458) 6.254 5.108 ( 2.431 -1.291 0.751) 2.853 5.108 ( 2.431 1.291 0.751) 2.853 5.702 ( -0.523 -0.987 -6.456) 6.552 5.702 ( -0.523 0.987 -6.456) 6.552 5.981 ( -0.338 -0.233 1.946) 1.989 5.981 ( -0.338 0.233 1.946) 1.989 6.044 ( -0.706 -0.194 -0.300) 0.791 6.044 ( -0.706 0.194 -0.300) 0.791 6.065 ( 2.059 -0.208 -0.091) 2.072 6.065 ( 2.059 0.208 -0.091) 2.072 7.767 ( -0.096 -0.495 -1.201) 1.303 7.767 ( -0.096 0.495 -1.201) 1.303 ======================= Grid point 69 (29/75) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 6.086 -4.216 6.634) 9.941 0.762 ( 6.086 4.217 6.634) 9.942 0.955 ( -1.265 -1.425 16.840) 16.947 0.955 ( -1.265 1.425 16.839) 16.947 1.270 ( -0.249 -2.242 2.428) 3.314 1.270 ( -0.249 2.242 2.427) 3.314 1.397 ( 3.981 -3.154 -2.352) 5.598 1.397 ( 3.981 3.154 -2.352) 5.597 1.420 ( 1.942 -3.591 0.036) 4.082 1.420 ( 1.942 3.591 0.036) 4.082 1.837 ( -0.034 -1.033 -3.786) 3.924 1.837 ( -0.035 1.033 -3.786) 3.925 1.864 ( 1.517 -0.269 -2.995) 3.368 1.864 ( 1.517 0.268 -2.996) 3.368 2.123 ( -0.424 -1.351 1.728) 2.234 2.123 ( -0.424 1.351 1.728) 2.234 2.493 ( -0.051 -1.229 -2.664) 2.934 2.493 ( -0.051 1.229 -2.664) 2.934 2.738 ( 1.773 -2.404 0.910) 3.123 2.738 ( 1.773 2.404 0.910) 3.122 2.963 ( 2.091 -1.566 0.855) 2.749 2.963 ( 2.091 1.566 0.855) 2.749 3.077 ( -1.523 -1.036 0.049) 1.842 3.077 ( -1.523 1.036 0.049) 1.843 3.481 ( 2.358 -1.759 -1.230) 3.189 3.481 ( 2.358 1.760 -1.230) 3.189 3.664 ( 0.606 -1.719 -2.947) 3.465 3.664 ( 0.605 1.719 -2.947) 3.465 3.685 ( -1.338 -2.768 -0.270) 3.086 3.685 ( -1.339 2.768 -0.270) 3.086 3.747 ( -3.843 -1.926 1.519) 4.559 3.747 ( -3.843 1.926 1.519) 4.559 4.028 ( 2.964 -1.643 -2.808) 4.401 4.028 ( 2.964 1.643 -2.808) 4.401 4.193 ( -2.898 -3.598 -2.156) 5.098 4.193 ( -2.898 3.598 -2.156) 5.098 5.148 ( 1.590 -0.699 0.783) 1.905 5.148 ( 1.590 0.699 0.783) 1.905 5.693 ( -0.327 -0.636 -6.293) 6.333 5.693 ( -0.327 0.636 -6.293) 6.333 5.976 ( -0.196 -0.136 1.826) 1.841 5.976 ( -0.196 0.136 1.826) 1.841 6.030 ( -0.617 -0.114 -0.286) 0.689 6.030 ( -0.617 0.114 -0.286) 0.689 6.102 ( 1.438 -0.140 -0.596) 1.563 6.102 ( 1.438 0.140 -0.596) 1.563 7.766 ( -0.060 -0.267 -1.223) 1.253 7.766 ( -0.060 0.267 -1.223) 1.253 ======================= Grid point 71 (30/75) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.840 ( -0.000 0.000 2.656) 2.656 0.840 ( 0.003 0.001 2.656) 2.656 0.926 ( -0.001 -0.001 19.156) 19.156 0.926 ( -0.000 0.000 19.157) 19.157 1.267 ( 0.000 0.000 4.294) 4.294 1.267 ( 0.000 0.001 4.294) 4.294 1.421 ( 0.000 -0.000 0.342) 0.342 1.421 ( 0.000 0.000 0.342) 0.342 1.455 ( 0.000 -0.000 -4.246) 4.246 1.455 ( 0.000 0.000 -4.246) 4.246 1.824 ( 0.000 -0.000 -3.551) 3.551 1.824 ( 0.000 0.000 -3.551) 3.551 1.890 ( 0.000 0.000 -2.645) 2.645 1.890 ( 0.000 0.000 -2.645) 2.645 2.120 ( 0.000 -0.000 1.770) 1.770 2.120 ( 0.000 0.000 1.770) 1.770 2.490 ( 0.000 -0.000 -3.539) 3.539 2.490 ( 0.000 0.000 -3.539) 3.539 2.758 ( 0.000 0.000 1.349) 1.349 2.758 ( 0.000 0.000 1.349) 1.349 2.993 ( 0.000 -0.000 1.296) 1.296 2.993 ( 0.000 0.000 1.296) 1.296 3.053 ( 0.000 0.000 -0.543) 0.543 3.053 ( 0.000 0.000 -0.543) 0.543 3.511 ( -0.000 0.000 -0.298) 0.298 3.511 ( 0.000 0.000 -0.298) 0.298 3.650 ( 0.000 0.001 -1.435) 1.435 3.650 ( 0.000 0.000 -1.434) 1.434 3.696 ( -1.316 -1.652 -0.419) 2.153 3.696 ( 1.043 -1.309 -0.621) 1.785 3.696 ( -1.042 1.309 0.263) 1.694 3.696 ( 1.316 1.652 0.061) 2.113 4.070 ( -0.000 0.000 -5.945) 5.945 4.070 ( 0.001 0.000 -5.945) 5.945 4.154 ( -0.000 -0.000 0.900) 0.900 4.154 ( 0.000 -0.000 0.900) 0.900 5.164 ( 0.000 0.000 0.811) 0.811 5.164 ( 0.000 0.000 0.811) 0.811 5.690 ( 0.000 0.000 -6.241) 6.241 5.690 ( 0.000 0.000 -6.241) 6.241 5.974 ( 0.000 0.000 1.762) 1.762 5.974 ( 0.000 0.000 1.762) 1.762 6.024 ( -0.000 -0.000 -0.308) 0.308 6.024 ( -0.000 -0.000 -0.308) 0.308 6.116 ( 0.000 -0.000 -0.763) 0.763 6.116 ( 0.000 0.000 -0.763) 0.763 7.765 ( -0.000 -0.000 -1.231) 1.231 7.765 ( 0.000 0.000 -1.231) 1.231 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 0.000 6.692) 6.692 0.458 ( 0.000 0.000 12.164) 12.164 0.767 ( 0.000 0.000 3.231) 3.231 0.932 ( 0.000 0.000 -1.608) 1.608 1.250 ( 0.000 0.000 -3.691) 3.691 1.336 ( 0.000 0.000 1.801) 1.801 1.376 ( 0.000 0.000 0.753) 0.753 1.391 ( 0.000 0.000 -4.767) 4.767 1.397 ( 0.000 0.000 0.549) 0.549 1.611 ( 0.000 0.000 -6.502) 6.502 1.651 ( 0.000 0.000 36.021) 36.021 1.707 ( 0.000 0.000 26.375) 26.375 1.850 ( 0.000 0.000 -5.258) 5.258 2.025 ( 0.000 0.000 -5.190) 5.190 2.072 ( 0.000 0.000 1.459) 1.459 2.349 ( 0.000 0.000 -0.181) 0.181 2.385 ( 0.000 0.000 1.901) 1.901 2.492 ( 0.000 0.000 0.624) 0.624 2.614 ( 0.000 0.000 9.430) 9.430 2.797 ( 0.000 0.000 -4.047) 4.047 2.852 ( 0.000 0.000 2.952) 2.952 2.922 ( 0.000 0.000 -1.648) 1.648 2.999 ( 0.000 0.000 -0.823) 0.823 3.140 ( 0.000 0.000 0.355) 0.355 3.302 ( 0.000 0.000 -3.054) 3.054 3.343 ( 0.000 0.000 -2.809) 2.809 3.497 ( 0.000 0.000 -8.694) 8.694 3.528 ( 0.000 0.000 -4.547) 4.547 3.607 ( 0.000 0.000 -4.106) 4.106 3.709 ( 0.000 0.000 -3.162) 3.162 3.866 ( 0.000 0.000 -6.640) 6.640 3.979 ( 0.000 0.000 1.813) 1.813 4.003 ( 0.000 0.000 1.967) 1.967 4.038 ( 0.000 0.000 3.423) 3.423 4.182 ( 0.000 0.000 -0.886) 0.886 4.300 ( 0.000 0.000 -1.646) 1.646 5.028 ( 0.000 0.000 1.881) 1.881 5.110 ( 0.000 0.000 1.117) 1.117 5.525 ( 0.000 0.000 -8.212) 8.212 5.587 ( 0.000 0.000 -7.640) 7.640 5.994 ( 0.000 0.000 0.021) 0.021 6.009 ( 0.000 0.000 0.269) 0.269 6.030 ( 0.000 0.000 1.679) 1.679 6.041 ( 0.000 0.000 -0.817) 0.817 6.063 ( 0.000 0.000 1.686) 1.686 6.069 ( 0.000 0.000 -0.209) 0.209 7.720 ( 0.000 0.000 -1.788) 1.788 7.753 ( 0.000 0.000 -2.046) 2.046 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 6.164 0.000 5.062) 7.976 0.651 ( 16.063 0.000 7.355) 17.667 0.879 ( 10.188 0.000 2.324) 10.449 0.926 ( -0.554 0.000 -1.430) 1.533 1.225 ( -2.153 0.000 -3.072) 3.751 1.310 ( -2.266 0.000 1.442) 2.686 1.399 ( 1.811 0.000 0.700) 1.942 1.419 ( 1.799 0.000 0.703) 1.931 1.435 ( 4.210 0.000 -2.783) 5.047 1.632 ( 1.964 0.000 2.485) 3.167 1.661 ( 0.999 0.000 24.808) 24.828 1.704 ( -0.077 0.000 25.403) 25.403 1.794 ( -4.205 0.000 -4.488) 6.150 1.994 ( -2.496 0.000 -4.903) 5.502 2.137 ( 4.656 0.000 -0.372) 4.671 2.293 ( -3.992 0.000 0.267) 4.001 2.376 ( -2.185 0.000 1.036) 2.418 2.531 ( 3.732 0.000 0.490) 3.764 2.610 ( -1.230 0.000 7.897) 7.992 2.799 ( 0.279 0.000 -3.524) 3.535 2.838 ( 0.201 0.000 2.340) 2.349 2.926 ( 0.492 0.000 -1.230) 1.325 3.036 ( 2.815 0.000 0.844) 2.939 3.148 ( 0.422 0.000 0.332) 0.537 3.313 ( 1.179 0.000 -2.713) 2.958 3.355 ( 1.426 0.000 -3.107) 3.418 3.513 ( 1.459 0.000 -9.181) 9.296 3.528 ( -0.049 0.000 -4.555) 4.556 3.603 ( -0.435 0.000 -4.141) 4.164 3.706 ( -0.532 0.000 -3.353) 3.395 3.873 ( 0.994 0.000 -4.864) 4.965 3.965 ( -1.548 0.000 0.812) 1.748 3.988 ( -1.576 0.000 2.105) 2.630 4.030 ( -0.755 0.000 3.386) 3.470 4.160 ( -2.184 0.000 -0.661) 2.282 4.283 ( -1.562 0.000 -1.197) 1.968 5.052 ( 2.284 0.000 1.851) 2.940 5.125 ( 1.474 0.000 1.073) 1.823 5.523 ( -0.161 0.000 -8.124) 8.126 5.584 ( -0.330 0.000 -7.638) 7.646 6.005 ( 0.988 0.000 -0.064) 0.990 6.013 ( 0.192 0.000 0.808) 0.830 6.034 ( 0.638 0.000 0.660) 0.918 6.036 ( -0.482 0.000 -0.795) 0.930 6.058 ( -0.461 0.000 1.416) 1.489 6.062 ( -0.667 0.000 -0.225) 0.704 7.721 ( 0.066 0.000 -1.776) 1.777 7.751 ( -0.205 0.000 -2.015) 2.025 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.596 ( 8.023 0.000 2.413) 8.378 0.914 ( -0.572 0.000 -1.138) 1.274 0.964 ( 14.924 0.000 3.642) 15.362 1.098 ( 11.176 0.000 0.707) 11.199 1.178 ( -2.517 0.000 -2.140) 3.304 1.254 ( -3.518 0.000 1.270) 3.741 1.433 ( 1.670 0.000 0.644) 1.790 1.454 ( 1.651 0.000 0.790) 1.830 1.529 ( 4.666 0.000 5.962) 7.571 1.658 ( -0.533 0.000 27.415) 27.421 1.693 ( 3.028 0.000 5.787) 6.531 1.726 ( 2.789 0.000 7.528) 8.028 1.731 ( -1.861 0.000 -4.877) 5.220 1.931 ( -3.941 0.000 -4.736) 6.161 2.218 ( -3.485 0.000 0.009) 3.485 2.222 ( 4.034 0.000 -1.395) 4.269 2.310 ( -4.189 0.000 -0.007) 4.189 2.551 ( -4.450 0.000 3.358) 5.575 2.617 ( 4.904 0.000 1.108) 5.028 2.808 ( 0.506 0.000 -2.199) 2.256 2.891 ( 4.850 0.000 3.926) 6.240 2.940 ( 0.920 0.000 -0.939) 1.315 3.083 ( 1.803 0.000 2.249) 2.882 3.137 ( -1.846 0.000 -0.309) 1.872 3.352 ( 2.900 0.000 -1.367) 3.206 3.403 ( 3.463 0.000 -3.552) 4.961 3.527 ( -0.019 0.000 -4.546) 4.546 3.543 ( 1.438 0.000 -9.188) 9.300 3.591 ( -0.792 0.000 -4.238) 4.311 3.682 ( -1.836 0.000 -4.668) 5.016 3.896 ( -1.846 0.000 -0.846) 2.031 3.928 ( -1.400 0.000 1.333) 1.933 3.951 ( 0.179 0.000 -0.075) 0.194 4.013 ( -0.845 0.000 3.179) 3.290 4.106 ( -3.113 0.000 0.001) 3.113 4.249 ( -1.935 0.000 -0.724) 2.066 5.107 ( 3.143 0.000 1.741) 3.593 5.160 ( 1.921 0.000 1.038) 2.183 5.521 ( -0.004 0.000 -7.919) 7.919 5.574 ( -0.680 0.000 -7.640) 7.670 6.009 ( -0.378 0.000 1.378) 1.429 6.023 ( 0.195 0.000 0.658) 0.687 6.024 ( -0.652 0.000 -0.733) 0.981 6.045 ( -1.031 0.000 -0.280) 1.068 6.053 ( 0.707 0.000 -0.243) 0.747 6.058 ( 1.259 0.000 -0.850) 1.519 7.723 ( 0.147 0.000 -1.752) 1.758 7.746 ( -0.333 0.000 -1.937) 1.966 ======================= Grid point 93 (34/75) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 7.076 0.000 0.263) 7.081 0.901 ( -1.090 0.000 -1.189) 1.613 1.136 ( -1.624 0.000 -1.004) 1.909 1.180 ( -3.760 0.000 1.100) 3.918 1.200 ( 9.347 0.000 2.281) 9.621 1.272 ( 6.204 0.000 -0.734) 6.248 1.462 ( 1.273 0.000 0.524) 1.377 1.478 ( 0.728 0.000 0.701) 1.011 1.588 ( 1.378 0.000 18.434) 18.485 1.630 ( -1.877 0.000 26.184) 26.251 1.726 ( 1.235 0.000 -5.133) 5.280 1.766 ( 3.973 0.000 1.663) 4.307 1.790 ( 3.001 0.000 -2.787) 4.095 1.849 ( -4.369 0.000 -4.586) 6.334 2.168 ( -1.420 0.000 -0.299) 1.451 2.228 ( -3.946 0.000 -0.695) 4.007 2.296 ( 3.739 0.000 -1.579) 4.059 2.458 ( -4.812 0.000 0.372) 4.826 2.712 ( 4.653 0.000 2.322) 5.200 2.812 ( -0.339 0.000 -0.122) 0.360 2.964 ( 1.750 0.000 -1.900) 2.583 2.994 ( 5.126 0.000 4.206) 6.631 3.082 ( -3.544 0.000 -1.502) 3.849 3.100 ( -0.175 0.000 3.012) 3.017 3.422 ( 4.213 0.000 -0.072) 4.214 3.472 ( 3.050 0.000 -3.589) 4.710 3.530 ( 0.478 0.000 -4.516) 4.541 3.566 ( 1.014 0.000 -8.850) 8.908 3.572 ( -1.215 0.000 -4.363) 4.529 3.643 ( -2.107 0.000 -4.928) 5.359 3.817 ( -3.984 0.000 0.357) 4.000 3.864 ( -3.918 0.000 2.532) 4.665 4.003 ( -0.132 0.000 2.691) 2.694 4.034 ( 5.527 0.000 -0.980) 5.613 4.049 ( -2.577 0.000 0.959) 2.750 4.205 ( -2.816 0.000 -0.838) 2.939 5.163 ( 2.423 0.000 1.548) 2.875 5.190 ( 1.034 0.000 1.127) 1.530 5.525 ( 0.486 0.000 -7.732) 7.747 5.558 ( -0.959 0.000 -7.642) 7.702 6.003 ( -0.176 0.000 1.237) 1.250 6.014 ( -0.342 0.000 -0.634) 0.720 6.014 ( -0.676 0.000 1.190) 1.369 6.026 ( -0.896 0.000 -0.379) 0.973 6.074 ( 1.137 0.000 -1.563) 1.933 6.081 ( 0.897 0.000 -1.647) 1.875 7.727 ( 0.239 0.000 -1.745) 1.761 7.739 ( -0.363 0.000 -1.847) 1.883 ======================= Grid point 94 (35/75) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -4.045 0.000 -1.090) 4.189 0.855 ( 4.045 0.000 -1.090) 4.189 1.129 ( -1.178 0.000 0.413) 1.248 1.129 ( 1.178 0.000 0.413) 1.249 1.315 ( -2.096 0.000 0.025) 2.096 1.315 ( 2.096 0.000 0.025) 2.096 1.480 ( -0.493 0.000 0.531) 0.724 1.480 ( 0.493 0.000 0.531) 0.724 1.602 ( -0.793 0.000 23.846) 23.860 1.602 ( 0.793 0.000 23.846) 23.859 1.772 ( -3.379 0.000 -4.822) 5.888 1.772 ( 3.379 0.000 -4.822) 5.888 1.816 ( -0.655 0.000 -2.497) 2.582 1.816 ( 0.656 0.000 -2.497) 2.582 2.171 ( -1.721 0.000 -0.602) 1.824 2.171 ( 1.722 0.000 -0.602) 1.824 2.371 ( -4.192 0.000 -1.072) 4.327 2.371 ( 4.192 0.000 -1.072) 4.327 2.785 ( -2.632 0.000 2.131) 3.386 2.785 ( 2.632 0.000 2.130) 3.386 3.013 ( -3.275 0.000 -2.548) 4.149 3.013 ( 3.275 0.000 -2.548) 4.149 3.072 ( -2.790 0.000 3.665) 4.606 3.072 ( 2.790 0.000 3.665) 4.606 3.491 ( -1.759 0.000 -1.404) 2.250 3.491 ( 1.759 0.000 -1.404) 2.251 3.547 ( -1.194 0.000 -4.464) 4.621 3.547 ( 1.194 0.000 -4.464) 4.621 3.594 ( -2.509 0.000 -7.136) 7.564 3.594 ( 2.509 0.000 -7.136) 7.564 3.798 ( -2.160 0.000 1.864) 2.853 3.798 ( 2.160 0.000 1.864) 2.853 4.012 ( -1.194 0.000 1.926) 2.266 4.012 ( 1.194 0.000 1.926) 2.266 4.134 ( -4.554 0.000 -0.942) 4.651 4.134 ( 4.555 0.000 -0.942) 4.651 5.194 ( -0.722 0.000 1.321) 1.506 5.194 ( 0.722 0.000 1.321) 1.506 5.539 ( -0.924 0.000 -7.652) 7.708 5.539 ( 0.924 0.000 -7.652) 7.708 6.004 ( -0.318 0.000 1.136) 1.180 6.004 ( 0.318 0.000 1.136) 1.180 6.014 ( -0.315 0.000 -0.507) 0.597 6.014 ( 0.315 0.000 -0.507) 0.597 6.088 ( -0.211 0.000 -1.867) 1.879 6.088 ( 0.211 0.000 -1.867) 1.879 7.732 ( -0.320 0.000 -1.776) 1.805 7.732 ( 0.320 0.000 -1.776) 1.805 ======================= Grid point 99 (36/75) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.000 5.352 9.632) 11.019 0.618 ( 0.000 16.472 5.357) 17.322 0.735 ( 0.000 -3.087 3.871) 4.951 0.955 ( 0.000 1.502 1.523) 2.139 1.200 ( 0.000 -3.599 -1.816) 4.031 1.322 ( 0.000 -5.116 1.586) 5.356 1.344 ( 0.000 0.719 1.217) 1.414 1.387 ( 0.000 -0.869 0.506) 1.006 1.415 ( 0.000 2.281 -4.506) 5.051 1.566 ( 0.000 -3.769 -5.736) 6.863 1.699 ( 0.000 3.111 30.040) 30.201 1.712 ( 0.000 1.004 21.392) 21.415 1.837 ( 0.000 -0.595 -0.477) 0.763 1.967 ( 0.000 -4.980 -5.643) 7.526 2.121 ( 0.000 4.158 0.694) 4.216 2.311 ( 0.000 -3.405 -0.241) 3.414 2.389 ( 0.000 0.422 3.073) 3.102 2.451 ( 0.000 -2.601 4.001) 4.773 2.668 ( 0.000 3.664 4.551) 5.843 2.774 ( 0.000 -1.589 -2.572) 3.024 2.879 ( 0.000 1.866 1.276) 2.260 2.925 ( 0.000 0.042 -0.970) 0.971 3.027 ( 0.000 2.391 -0.640) 2.476 3.126 ( 0.000 -1.393 0.224) 1.411 3.306 ( 0.000 0.383 -3.102) 3.125 3.335 ( 0.000 -0.712 -2.974) 3.058 3.473 ( 0.000 -0.514 -6.577) 6.597 3.539 ( 0.000 -2.235 -4.739) 5.239 3.611 ( 0.000 3.225 -6.887) 7.605 3.763 ( 0.000 1.004 -4.378) 4.491 3.825 ( 0.000 0.235 -3.054) 3.063 3.982 ( 0.000 0.283 1.824) 1.846 3.999 ( 0.000 -0.348 1.934) 1.966 4.038 ( 0.000 -2.539 3.289) 4.155 4.191 ( 0.000 2.105 -1.813) 2.778 4.291 ( 0.000 -1.034 -1.539) 1.854 5.041 ( 0.000 1.156 1.797) 2.137 5.099 ( 0.000 -1.020 1.254) 1.616 5.535 ( 0.000 0.887 -8.108) 8.156 5.579 ( 0.000 -0.773 -7.706) 7.745 5.997 ( 0.000 0.197 0.062) 0.206 6.007 ( 0.000 -0.186 0.237) 0.301 6.032 ( 0.000 0.190 1.569) 1.580 6.042 ( 0.000 -0.006 -0.273) 0.273 6.062 ( 0.000 -0.061 1.302) 1.304 6.068 ( 0.000 -0.133 -0.188) 0.230 7.725 ( 0.000 0.436 -1.808) 1.859 7.748 ( 0.000 -0.438 -1.990) 2.038 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 4.048 7.613 9.883) 13.115 0.749 ( 11.793 7.480 2.192) 14.136 0.846 ( 9.413 -1.503 4.180) 10.408 0.962 ( 1.431 2.592 0.863) 3.084 1.187 ( -1.132 -3.014 -1.707) 3.644 1.295 ( -2.045 -2.649 1.449) 3.647 1.362 ( 1.378 -1.675 0.919) 2.356 1.399 ( 1.081 -1.308 0.783) 1.869 1.461 ( 4.255 2.307 -2.235) 5.331 1.604 ( 3.583 -2.826 -4.752) 6.588 1.704 ( 0.350 2.999 27.595) 27.760 1.710 ( 0.006 0.971 20.799) 20.822 1.802 ( -3.000 0.591 -1.681) 3.490 1.940 ( -2.390 -4.618 -5.404) 7.499 2.142 ( 1.412 1.132 0.274) 1.830 2.263 ( -3.274 -2.731 0.607) 4.306 2.400 ( 0.006 1.977 1.719) 2.620 2.497 ( 3.498 -2.382 2.855) 5.105 2.655 ( -1.178 3.167 3.821) 5.101 2.766 ( -0.251 -2.103 -1.565) 2.634 2.876 ( 0.400 2.432 0.704) 2.563 2.930 ( 0.584 0.094 -0.776) 0.976 3.055 ( 2.171 1.668 0.587) 2.800 3.135 ( 0.513 -1.308 0.295) 1.436 3.319 ( 1.404 0.552 -2.969) 3.330 3.347 ( 1.385 -0.661 -3.334) 3.670 3.492 ( 1.842 -0.401 -6.531) 6.797 3.544 ( 0.411 -1.665 -5.067) 5.349 3.604 ( -0.690 2.816 -6.354) 6.985 3.748 ( -1.495 0.714 -4.679) 4.963 3.832 ( 0.836 -0.202 -1.687) 1.894 3.966 ( -1.849 -0.082 0.904) 2.060 3.982 ( -1.607 -0.334 1.846) 2.470 4.033 ( -0.494 -2.175 3.134) 3.847 4.173 ( -1.634 2.450 -1.348) 3.239 4.276 ( -1.425 -0.941 -1.026) 1.992 5.063 ( 2.095 0.997 1.756) 2.909 5.115 ( 1.545 -0.947 1.198) 2.172 5.533 ( -0.183 0.871 -8.034) 8.084 5.576 ( -0.305 -0.755 -7.696) 7.739 6.007 ( 0.883 0.124 0.028) 0.892 6.013 ( 0.349 -0.091 0.592) 0.693 6.033 ( 0.130 0.052 0.567) 0.584 6.039 ( -0.084 0.075 -0.251) 0.275 6.057 ( -0.471 -0.065 1.120) 1.217 6.061 ( -0.605 -0.100 -0.190) 0.642 7.725 ( 0.027 0.401 -1.797) 1.842 7.746 ( -0.165 -0.402 -1.966) 2.014 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 6.456 6.008 7.036) 11.282 0.910 ( 2.337 -1.802 2.689) 3.992 1.032 ( 10.469 5.915 1.976) 12.185 1.076 ( 8.423 -0.307 -0.412) 8.439 1.170 ( -0.046 -1.506 -0.918) 1.764 1.255 ( -1.482 -0.242 1.085) 1.853 1.393 ( 1.815 -2.641 0.480) 3.240 1.421 ( 1.016 -2.161 1.238) 2.689 1.553 ( 4.448 2.228 6.277) 8.010 1.671 ( 0.918 -1.107 13.571) 13.647 1.706 ( 1.815 1.661 6.094) 6.571 1.730 ( 1.882 1.484 15.150) 15.339 1.754 ( -1.185 1.148 -4.330) 4.634 1.883 ( -3.420 -4.056 -4.811) 7.162 2.154 ( -0.354 -2.078 0.115) 2.111 2.215 ( -1.502 -2.158 0.530) 2.682 2.380 ( -1.608 4.631 -1.082) 5.020 2.523 ( -1.954 -2.055 1.439) 3.180 2.658 ( 2.747 3.054 1.939) 4.542 2.782 ( 1.584 -2.193 0.041) 2.706 2.910 ( 3.137 1.523 1.978) 4.010 2.947 ( 1.072 0.298 -0.468) 1.207 3.090 ( 1.184 0.627 1.769) 2.219 3.128 ( -1.402 -0.793 0.028) 1.611 3.363 ( 3.053 0.847 -1.956) 3.723 3.392 ( 3.279 -0.721 -3.802) 5.073 3.533 ( 1.891 -0.111 -6.396) 6.671 3.549 ( -0.005 -0.309 -6.933) 6.940 3.589 ( -0.489 1.967 -4.176) 4.642 3.710 ( -2.247 0.932 -4.648) 5.246 3.849 ( 0.159 -2.664 0.707) 2.761 3.903 ( -4.573 -1.089 0.589) 4.738 3.955 ( -0.455 0.513 0.176) 0.707 4.020 ( -0.757 -1.712 2.346) 3.001 4.138 ( -1.694 3.495 -0.164) 3.887 4.245 ( -1.706 -0.683 -0.262) 1.856 5.113 ( 2.867 0.607 1.642) 3.359 5.151 ( 2.015 -0.781 1.133) 2.440 5.529 ( -0.095 0.777 -7.860) 7.899 5.567 ( -0.576 -0.651 -7.671) 7.720 6.010 ( -0.350 0.108 1.284) 1.335 6.018 ( -0.171 -0.251 0.562) 0.639 6.029 ( -0.394 0.294 -0.433) 0.656 6.043 ( -0.841 -0.243 -0.273) 0.917 6.054 ( 0.766 0.101 -0.393) 0.867 6.058 ( 1.092 -0.016 -0.796) 1.352 7.726 ( 0.079 0.304 -1.777) 1.805 7.742 ( -0.260 -0.301 -1.908) 1.949 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 6.306 4.251 3.999) 8.592 0.927 ( -0.085 1.202 2.303) 2.599 1.109 ( -0.050 -1.300 -0.324) 1.340 1.154 ( -2.181 -1.702 0.631) 2.838 1.247 ( 7.507 3.223 1.103) 8.244 1.296 ( 4.382 2.008 -0.812) 4.888 1.428 ( 1.492 -2.805 0.041) 3.178 1.435 ( 0.401 -2.898 1.616) 3.343 1.608 ( 1.274 1.794 18.322) 18.454 1.649 ( -1.559 0.951 23.068) 23.141 1.730 ( 0.528 0.634 -3.376) 3.475 1.782 ( 3.052 0.753 0.908) 3.272 1.789 ( 2.852 -0.288 -4.402) 5.253 1.816 ( -3.211 -2.616 -4.298) 5.969 2.143 ( -0.201 -1.509 0.062) 1.524 2.189 ( -1.670 -2.260 0.162) 2.815 2.362 ( 0.219 4.103 -2.659) 4.894 2.457 ( -3.890 -0.292 -1.049) 4.040 2.734 ( 4.111 1.850 2.613) 5.210 2.806 ( 0.548 -0.754 0.791) 1.223 2.969 ( 1.850 0.458 -0.491) 1.968 2.989 ( 4.069 -0.372 2.667) 4.879 3.081 ( -2.883 0.075 -0.457) 2.920 3.098 ( -0.759 -0.297 2.290) 2.431 3.433 ( 4.029 0.834 -0.784) 4.188 3.461 ( 3.360 -0.723 -3.776) 5.106 3.539 ( -0.476 0.225 -6.656) 6.677 3.546 ( -0.727 -0.515 -7.907) 7.957 3.604 ( 1.651 2.380 -2.834) 4.052 3.668 ( -2.078 1.628 -3.980) 4.776 3.806 ( -4.370 -1.161 0.662) 4.569 3.821 ( -2.893 -3.539 2.579) 5.249 3.974 ( 1.506 -0.693 -1.224) 2.061 4.006 ( -0.678 -1.548 0.854) 1.894 4.124 ( 0.611 3.978 1.098) 4.172 4.208 ( -2.168 -0.023 0.131) 2.172 5.164 ( 2.154 0.139 1.477) 2.615 5.184 ( 1.155 -0.572 1.170) 1.740 5.531 ( 0.282 0.516 -7.694) 7.717 5.554 ( -0.737 -0.368 -7.640) 7.684 6.004 ( -0.202 0.100 1.173) 1.194 6.011 ( -0.418 -0.185 0.713) 0.847 6.018 ( -0.576 0.181 -0.164) 0.626 6.025 ( -0.839 -0.105 -0.390) 0.931 6.075 ( 1.079 0.099 -1.553) 1.893 6.080 ( 0.909 -0.086 -1.614) 1.854 7.728 ( 0.153 0.166 -1.769) 1.783 7.737 ( -0.272 -0.157 -1.841) 1.868 ======================= Grid point 103 (40/75) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -3.476 2.947 2.176) 5.050 0.896 ( 3.477 2.947 2.177) 5.051 1.114 ( -1.196 -1.000 0.655) 1.691 1.114 ( 1.196 -1.001 0.654) 1.692 1.335 ( -1.164 1.768 -0.696) 2.228 1.335 ( 1.164 1.768 -0.696) 2.228 1.440 ( -0.215 -2.900 0.975) 3.067 1.440 ( 0.215 -2.900 0.975) 3.067 1.624 ( -0.921 1.564 22.795) 22.867 1.624 ( 0.922 1.564 22.795) 22.867 1.757 ( -2.317 -1.130 -4.517) 5.201 1.757 ( 2.317 -1.130 -4.517) 5.201 1.820 ( -0.326 0.079 -3.199) 3.216 1.820 ( 0.326 0.079 -3.199) 3.216 2.155 ( -1.435 -1.202 -0.074) 1.873 2.155 ( 1.435 -1.202 -0.074) 1.873 2.392 ( -2.642 1.559 -2.407) 3.899 2.392 ( 2.642 1.559 -2.407) 3.899 2.795 ( -1.911 0.672 2.297) 3.063 2.795 ( 1.911 0.672 2.297) 3.063 3.014 ( -2.761 0.236 -1.051) 2.964 3.014 ( 2.761 0.236 -1.051) 2.964 3.065 ( -2.545 -0.620 2.732) 3.785 3.065 ( 2.545 -0.620 2.732) 3.785 3.494 ( -1.080 0.154 -1.430) 1.799 3.494 ( 1.080 0.154 -1.431) 1.799 3.533 ( -0.219 -0.499 -7.658) 7.678 3.533 ( 0.219 -0.499 -7.658) 7.678 3.631 ( -1.552 2.581 -3.558) 4.661 3.631 ( 1.552 2.581 -3.558) 4.661 3.772 ( -1.287 -2.367 1.945) 3.323 3.772 ( 1.287 -2.366 1.946) 3.323 3.993 ( -0.685 -1.060 -0.407) 1.326 3.993 ( 0.685 -1.061 -0.408) 1.327 4.160 ( -2.648 1.710 0.719) 3.234 4.160 ( 2.648 1.710 0.719) 3.234 5.190 ( -0.529 -0.277 1.300) 1.431 5.190 ( 0.529 -0.277 1.300) 1.431 5.540 ( -0.648 0.082 -7.626) 7.654 5.540 ( 0.648 0.082 -7.626) 7.654 6.004 ( -0.222 0.002 1.109) 1.131 6.004 ( 0.222 0.002 1.109) 1.131 6.014 ( -0.222 0.016 -0.539) 0.583 6.014 ( 0.222 0.016 -0.539) 0.583 6.088 ( -0.151 -0.012 -1.842) 1.849 6.088 ( 0.151 -0.012 -1.842) 1.849 7.732 ( -0.226 0.007 -1.790) 1.804 7.732 ( 0.226 0.007 -1.790) 1.804 ======================= Grid point 108 (41/75) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.000 -5.598 5.978) 8.190 0.643 ( 0.000 5.598 5.978) 8.190 0.908 ( 0.000 -8.698 5.659) 10.377 0.908 ( 0.000 8.698 5.659) 10.377 1.193 ( 0.000 -4.700 -0.954) 4.796 1.193 ( 0.000 4.700 -0.955) 4.796 1.365 ( 0.000 -1.186 0.665) 1.360 1.365 ( 0.000 1.186 0.664) 1.360 1.481 ( 0.000 -3.892 -4.812) 6.189 1.481 ( 0.000 3.892 -4.812) 6.189 1.736 ( 0.000 -0.391 24.319) 24.322 1.736 ( 0.000 0.391 24.319) 24.322 1.862 ( 0.000 -3.752 -3.658) 5.241 1.862 ( 0.000 3.752 -3.658) 5.241 2.220 ( 0.000 -4.935 -0.095) 4.936 2.220 ( 0.000 4.935 -0.095) 4.936 2.407 ( 0.000 -1.477 4.809) 5.030 2.407 ( 0.000 1.477 4.809) 5.030 2.734 ( 0.000 -2.472 -0.154) 2.477 2.734 ( 0.000 2.472 -0.154) 2.477 2.913 ( 0.000 -1.224 0.135) 1.232 2.913 ( 0.000 1.224 0.135) 1.232 3.083 ( 0.000 -2.607 -0.187) 2.614 3.083 ( 0.000 2.607 -0.187) 2.614 3.318 ( 0.000 -0.747 -3.143) 3.230 3.318 ( 0.000 0.747 -3.143) 3.230 3.488 ( 0.000 -1.873 -5.543) 5.851 3.488 ( 0.000 1.873 -5.543) 5.851 3.696 ( 0.000 -4.334 -7.168) 8.377 3.696 ( 0.000 4.335 -7.168) 8.377 3.932 ( 0.000 -6.471 1.661) 6.681 3.932 ( 0.000 6.472 1.661) 6.681 3.990 ( 0.000 -0.447 1.869) 1.921 3.990 ( 0.000 0.447 1.869) 1.921 4.252 ( 0.000 -2.782 -1.509) 3.165 4.252 ( 0.000 2.783 -1.509) 3.166 5.071 ( 0.000 -1.534 1.552) 2.182 5.071 ( 0.000 1.534 1.552) 2.182 5.557 ( 0.000 -1.172 -7.889) 7.975 5.557 ( 0.000 1.172 -7.889) 7.975 6.002 ( 0.000 -0.271 0.154) 0.312 6.002 ( 0.000 0.271 0.154) 0.312 6.038 ( 0.000 -0.316 1.061) 1.107 6.038 ( 0.000 0.316 1.061) 1.107 6.064 ( 0.000 -0.210 0.180) 0.276 6.064 ( 0.000 0.210 0.180) 0.276 7.737 ( 0.000 -0.617 -1.881) 1.980 7.737 ( 0.000 0.617 -1.881) 1.980 ======================= Grid point 110 (42/75) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 5.488 -6.297 7.856) 11.466 0.713 ( 5.488 6.296 7.855) 11.466 0.961 ( 6.028 -5.032 2.929) 8.381 0.961 ( 6.028 5.032 2.929) 8.381 1.185 ( -0.612 -4.758 -0.815) 4.866 1.185 ( -0.612 4.758 -0.815) 4.866 1.371 ( 0.551 -1.352 0.790) 1.660 1.371 ( 0.552 1.352 0.790) 1.660 1.528 ( 4.316 -3.902 -2.998) 6.545 1.528 ( 4.316 3.902 -2.998) 6.545 1.736 ( 0.020 -0.476 22.664) 22.669 1.736 ( 0.020 0.476 22.664) 22.669 1.841 ( -2.062 -3.845 -4.590) 6.333 1.841 ( -2.062 3.845 -4.590) 6.333 2.193 ( -2.025 -3.454 0.742) 4.072 2.193 ( -2.025 3.454 0.742) 4.072 2.446 ( 2.734 -2.392 3.014) 4.720 2.446 ( 2.734 2.392 3.014) 4.720 2.718 ( -1.055 -2.670 0.269) 2.884 2.718 ( -1.055 2.670 0.269) 2.884 2.918 ( 0.628 -1.359 0.086) 1.500 2.918 ( 0.628 1.359 0.086) 1.500 3.097 ( 1.064 -2.139 0.280) 2.405 3.097 ( 1.064 2.139 0.280) 2.405 3.333 ( 1.545 -0.676 -3.353) 3.753 3.333 ( 1.544 0.676 -3.353) 3.753 3.504 ( 1.464 -1.463 -5.514) 5.890 3.504 ( 1.464 1.463 -5.514) 5.890 3.685 ( -1.027 -4.296 -6.506) 7.864 3.685 ( -1.027 4.296 -6.506) 7.864 3.917 ( -1.664 -5.237 1.617) 5.728 3.917 ( -1.664 5.237 1.617) 5.728 3.984 ( -0.525 -0.798 1.315) 1.626 3.984 ( -0.525 0.798 1.315) 1.626 4.237 ( -1.321 -2.788 -0.924) 3.221 4.237 ( -1.321 2.788 -0.924) 3.221 5.089 ( 1.764 -1.391 1.491) 2.697 5.089 ( 1.764 1.391 1.491) 2.697 5.555 ( -0.243 -1.146 -7.850) 7.936 5.555 ( -0.243 1.146 -7.850) 7.936 6.010 ( 0.635 -0.168 0.252) 0.704 6.010 ( 0.635 0.168 0.252) 0.704 6.037 ( -0.030 -0.242 0.561) 0.612 6.037 ( -0.030 0.242 0.561) 0.612 6.058 ( -0.508 -0.177 0.153) 0.559 6.058 ( -0.508 0.177 0.153) 0.559 7.736 ( -0.068 -0.567 -1.868) 1.954 7.736 ( -0.068 0.567 -1.868) 1.954 ======================= Grid point 112 (43/75) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 4.573 -6.778 8.745) 11.972 0.809 ( 4.573 6.778 8.745) 11.972 1.107 ( 5.385 -2.495 0.155) 5.937 1.107 ( 5.385 2.495 0.155) 5.937 1.190 ( 3.227 -5.797 -0.745) 6.677 1.190 ( 3.228 5.798 -0.745) 6.677 1.382 ( 0.505 -1.398 0.808) 1.692 1.382 ( 0.505 1.398 0.808) 1.692 1.616 ( 3.771 -3.455 6.784) 8.496 1.616 ( 3.771 3.455 6.783) 8.495 1.741 ( 0.934 -0.995 12.781) 12.854 1.741 ( 0.934 0.995 12.780) 12.853 1.796 ( -2.236 -3.544 -5.504) 6.917 1.796 ( -2.236 3.544 -5.504) 6.918 2.160 ( -1.283 -2.306 1.001) 2.822 2.160 ( -1.283 2.306 1.001) 2.822 2.467 ( -0.933 -3.471 -0.551) 3.636 2.467 ( -0.933 3.471 -0.551) 3.636 2.725 ( 2.108 -3.162 1.770) 4.192 2.725 ( 2.108 3.162 1.770) 4.192 2.940 ( 1.621 -1.026 0.486) 1.979 2.940 ( 1.621 1.026 0.486) 1.979 3.108 ( -0.186 -1.016 0.792) 1.301 3.108 ( -0.186 1.016 0.792) 1.301 3.379 ( 3.202 -0.629 -3.208) 4.576 3.379 ( 3.201 0.629 -3.208) 4.576 3.534 ( 1.275 -0.428 -6.403) 6.543 3.534 ( 1.275 0.428 -6.403) 6.543 3.665 ( -0.744 -4.160 -4.378) 6.084 3.665 ( -0.744 4.160 -4.378) 6.084 3.863 ( -3.875 -2.602 1.322) 4.851 3.863 ( -3.876 2.602 1.322) 4.852 3.976 ( -0.149 -1.675 0.295) 1.708 3.976 ( -0.149 1.675 0.295) 1.708 4.210 ( -1.349 -2.759 0.209) 3.078 4.210 ( -1.349 2.759 0.209) 3.078 5.131 ( 2.350 -1.032 1.385) 2.916 5.131 ( 2.350 1.032 1.385) 2.916 5.549 ( -0.330 -1.001 -7.753) 7.824 5.549 ( -0.330 1.001 -7.753) 7.824 6.013 ( -0.276 -0.213 0.985) 1.045 6.013 ( -0.276 0.213 0.985) 1.045 6.036 ( -0.559 -0.349 -0.369) 0.755 6.036 ( -0.559 0.349 -0.369) 0.755 6.057 ( 0.887 -0.100 -0.631) 1.093 6.057 ( 0.887 0.100 -0.631) 1.093 7.734 ( -0.089 -0.427 -1.840) 1.891 7.734 ( -0.089 0.427 -1.840) 1.891 ======================= Grid point 114 (44/75) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 3.697 -4.182 7.135) 9.059 0.892 ( 3.697 4.183 7.135) 9.060 1.119 ( -1.155 -1.765 0.184) 2.117 1.119 ( -1.155 1.764 0.183) 2.117 1.313 ( 5.955 -2.065 -1.440) 6.465 1.313 ( 5.955 2.065 -1.440) 6.465 1.389 ( 0.162 -0.872 0.695) 1.127 1.389 ( 0.163 0.872 0.695) 1.127 1.648 ( 0.051 -1.332 20.654) 20.697 1.648 ( 0.051 1.332 20.654) 20.697 1.756 ( -1.197 -1.936 -3.263) 3.978 1.756 ( -1.197 1.937 -3.264) 3.979 1.788 ( 2.554 -0.263 -3.246) 4.139 1.788 ( 2.554 0.263 -3.246) 4.139 2.144 ( -0.512 -1.604 0.547) 1.771 2.144 ( -0.512 1.604 0.547) 1.771 2.433 ( -1.882 -2.319 -2.884) 4.152 2.433 ( -1.882 2.319 -2.884) 4.152 2.777 ( 2.472 -1.976 2.428) 3.989 2.777 ( 2.472 1.976 2.428) 3.989 2.980 ( 2.469 -0.514 0.948) 2.694 2.980 ( 2.469 0.515 0.948) 2.695 3.088 ( -1.770 -0.523 1.045) 2.121 3.088 ( -1.770 0.523 1.045) 2.121 3.448 ( 3.655 -0.588 -2.594) 4.520 3.448 ( 3.655 0.589 -2.594) 4.520 3.541 ( -0.465 -0.302 -8.071) 8.090 3.541 ( -0.465 0.302 -8.070) 8.089 3.665 ( 0.653 -2.592 -1.877) 3.266 3.665 ( 0.653 2.592 -1.877) 3.266 3.779 ( -4.343 -0.566 1.407) 4.600 3.779 ( -4.343 0.566 1.407) 4.600 3.979 ( 0.285 -0.922 -1.051) 1.427 3.979 ( 0.285 0.922 -1.051) 1.427 4.189 ( -0.782 -2.063 1.161) 2.493 4.189 ( -0.782 2.063 1.161) 2.493 5.171 ( 1.577 -0.551 1.309) 2.122 5.171 ( 1.577 0.551 1.309) 2.122 5.543 ( -0.219 -0.614 -7.648) 7.676 5.543 ( -0.219 0.614 -7.648) 7.676 6.007 ( -0.290 -0.172 1.000) 1.055 6.007 ( -0.290 0.172 1.000) 1.055 6.022 ( -0.699 -0.181 -0.374) 0.813 6.022 ( -0.699 0.181 -0.374) 0.813 6.078 ( 0.971 -0.135 -1.562) 1.844 6.078 ( 0.971 0.135 -1.562) 1.844 7.733 ( -0.058 -0.228 -1.814) 1.829 7.733 ( -0.058 0.228 -1.814) 1.829 ======================= Grid point 116 (45/75) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.000 0.000 6.205) 6.205 0.933 ( 0.002 0.001 6.205) 6.205 1.103 ( -0.001 -0.001 0.389) 0.389 1.103 ( 0.000 0.000 0.388) 0.388 1.378 ( 0.002 -0.003 -2.699) 2.699 1.378 ( -0.001 0.002 -2.699) 2.699 1.385 ( -0.001 -0.002 1.211) 1.211 1.385 ( 0.001 0.003 1.211) 1.211 1.646 ( 0.000 0.000 23.646) 23.646 1.646 ( 0.000 0.000 23.646) 23.646 1.742 ( 0.000 0.000 -4.663) 4.663 1.742 ( 0.000 0.000 -4.663) 4.663 1.818 ( 0.000 0.000 -4.180) 4.180 1.818 ( 0.000 0.000 -4.180) 4.180 2.139 ( 0.000 0.000 0.252) 0.252 2.139 ( 0.000 0.000 0.252) 0.252 2.412 ( 0.000 -0.000 -3.581) 3.581 2.412 ( 0.000 0.000 -3.581) 3.581 2.802 ( -0.000 0.000 2.496) 2.496 2.802 ( 0.000 0.000 2.496) 2.496 3.020 ( -0.000 -0.000 1.015) 1.015 3.020 ( 0.000 0.000 1.015) 1.015 3.055 ( -0.000 -0.000 1.228) 1.228 3.055 ( 0.000 0.000 1.229) 1.229 3.495 ( -0.000 0.000 -1.428) 1.428 3.495 ( 0.001 0.000 -1.428) 1.428 3.530 ( 0.000 0.000 -9.537) 9.537 3.530 ( 0.000 0.000 -9.537) 9.537 3.675 ( 0.000 0.000 -1.078) 1.078 3.675 ( -0.000 0.001 -1.078) 1.078 3.727 ( 0.000 -0.000 1.662) 1.662 3.727 ( 0.000 -0.000 1.662) 1.662 3.982 ( 0.000 0.000 -1.823) 1.823 3.982 ( 0.000 0.000 -1.823) 1.823 4.181 ( 0.000 -0.000 1.597) 1.597 4.181 ( 0.000 0.000 1.597) 1.597 5.187 ( 0.000 0.000 1.280) 1.280 5.187 ( 0.000 0.000 1.280) 1.280 5.541 ( 0.000 0.000 -7.600) 7.600 5.541 ( 0.000 0.000 -7.600) 7.600 6.004 ( -0.000 0.000 1.083) 1.083 6.004 ( 0.000 0.000 1.083) 1.083 6.014 ( 0.000 -0.000 -0.570) 0.570 6.014 ( 0.000 -0.000 -0.570) 0.570 6.088 ( 0.000 -0.000 -1.818) 1.818 6.088 ( 0.000 0.000 -1.818) 1.818 7.732 ( -0.000 -0.000 -1.804) 1.804 7.732 ( 0.000 0.000 -1.804) 1.804 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.494 ( 0.000 0.000 3.700) 3.700 0.696 ( 0.000 0.000 10.446) 10.446 0.849 ( 0.000 0.000 3.913) 3.913 0.973 ( 0.000 0.000 4.563) 4.563 1.178 ( 0.000 0.000 -3.438) 3.438 1.268 ( 0.000 0.000 -6.653) 6.653 1.372 ( 0.000 0.000 1.533) 1.533 1.405 ( 0.000 0.000 0.147) 0.147 1.407 ( 0.000 0.000 1.254) 1.254 1.480 ( 0.000 0.000 -5.506) 5.506 1.755 ( 0.000 0.000 -3.370) 3.370 1.920 ( 0.000 0.000 -4.383) 4.383 2.098 ( 0.000 0.000 0.924) 0.924 2.157 ( 0.000 0.000 15.848) 15.848 2.269 ( 0.000 0.000 18.061) 18.061 2.348 ( 0.000 0.000 0.107) 0.107 2.464 ( 0.000 0.000 4.823) 4.823 2.536 ( 0.000 0.000 9.010) 9.010 2.737 ( 0.000 0.000 -0.431) 0.431 2.789 ( 0.000 0.000 7.151) 7.151 2.892 ( 0.000 0.000 -0.476) 0.476 2.902 ( 0.000 0.000 1.545) 1.545 2.987 ( 0.000 0.000 -0.361) 0.361 3.147 ( 0.000 0.000 0.333) 0.333 3.243 ( 0.000 0.000 -2.419) 2.419 3.290 ( 0.000 0.000 -2.043) 2.043 3.292 ( 0.000 0.000 -11.194) 11.194 3.443 ( 0.000 0.000 -3.407) 3.407 3.521 ( 0.000 0.000 -3.755) 3.755 3.568 ( 0.000 0.000 -12.004) 12.004 3.756 ( 0.000 0.000 -2.164) 2.164 4.016 ( 0.000 0.000 1.492) 1.492 4.042 ( 0.000 0.000 1.599) 1.599 4.098 ( 0.000 0.000 2.212) 2.212 4.172 ( 0.000 0.000 -0.145) 0.145 4.284 ( 0.000 0.000 -0.311) 0.311 5.064 ( 0.000 0.000 1.380) 1.380 5.130 ( 0.000 0.000 0.741) 0.741 5.379 ( 0.000 0.000 -5.356) 5.356 5.452 ( 0.000 0.000 -4.974) 4.974 5.995 ( 0.000 0.000 0.019) 0.019 6.013 ( 0.000 0.000 0.171) 0.171 6.026 ( 0.000 0.000 -0.595) 0.595 6.060 ( 0.000 0.000 1.202) 1.202 6.064 ( 0.000 0.000 -0.203) 0.203 6.083 ( 0.000 0.000 0.320) 0.320 7.686 ( 0.000 0.000 -1.316) 1.316 7.714 ( 0.000 0.000 -1.538) 1.538 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 4.042 0.000 2.906) 4.979 0.815 ( 10.771 0.000 7.928) 13.374 0.942 ( 8.630 0.000 3.162) 9.192 0.965 ( -0.780 0.000 4.345) 4.414 1.163 ( -1.376 0.000 -3.113) 3.404 1.327 ( 5.776 0.000 -6.107) 8.406 1.346 ( -2.213 0.000 1.490) 2.668 1.413 ( 1.429 0.000 0.434) 1.493 1.439 ( 1.867 0.000 0.897) 2.072 1.514 ( 3.366 0.000 -5.224) 6.215 1.709 ( -3.895 0.000 -3.275) 5.089 1.897 ( -2.143 0.000 -3.906) 4.455 2.134 ( 3.116 0.000 0.059) 3.116 2.156 ( -0.141 0.000 16.329) 16.330 2.238 ( -3.301 0.000 16.703) 17.027 2.306 ( -2.992 0.000 2.295) 3.771 2.420 ( -4.265 0.000 3.482) 5.506 2.592 ( 4.618 0.000 8.729) 9.875 2.734 ( -6.332 0.000 3.808) 7.389 2.741 ( 0.516 0.000 -1.189) 1.296 2.890 ( 2.472 0.000 2.643) 3.619 2.901 ( 0.820 0.000 -0.812) 1.154 3.066 ( 4.864 0.000 1.737) 5.165 3.164 ( 0.847 0.000 1.341) 1.586 3.228 ( -1.082 0.000 -7.695) 7.770 3.288 ( 1.968 0.000 -3.019) 3.604 3.340 ( 2.816 0.000 -5.329) 6.027 3.441 ( -0.166 0.000 -3.539) 3.542 3.515 ( -0.592 0.000 -3.861) 3.906 3.556 ( -1.043 0.000 -11.568) 11.615 3.792 ( 3.665 0.000 -1.830) 4.096 3.986 ( -2.974 0.000 0.958) 3.125 4.031 ( -1.248 0.000 1.717) 2.122 4.089 ( -0.827 0.000 2.200) 2.351 4.154 ( -1.772 0.000 -0.004) 1.772 4.280 ( -0.471 0.000 0.324) 0.571 5.087 ( 2.246 0.000 1.379) 2.635 5.144 ( 1.397 0.000 0.697) 1.562 5.378 ( -0.089 0.000 -5.365) 5.366 5.448 ( -0.399 0.000 -5.026) 5.042 6.002 ( 0.693 0.000 -0.175) 0.715 6.019 ( 0.571 0.000 -0.002) 0.571 6.021 ( -0.443 0.000 -0.581) 0.730 6.054 ( -0.596 0.000 1.037) 1.196 6.057 ( -0.697 0.000 -0.213) 0.729 6.075 ( -0.793 0.000 0.273) 0.839 7.687 ( 0.087 0.000 -1.309) 1.312 7.713 ( -0.140 0.000 -1.509) 1.516 ======================= Grid point 137 (48/75) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 5.994 0.000 1.483) 6.175 0.946 ( -1.194 0.000 3.616) 3.808 1.044 ( 11.648 0.000 4.209) 12.385 1.128 ( 9.427 0.000 1.667) 9.573 1.133 ( -1.453 0.000 -2.388) 2.795 1.290 ( -3.644 0.000 1.595) 3.978 1.445 ( 1.572 0.000 0.284) 1.597 1.470 ( 1.283 0.000 0.590) 1.412 1.471 ( 8.455 0.000 -4.764) 9.705 1.600 ( 5.125 0.000 -4.575) 6.870 1.644 ( -2.109 0.000 -3.366) 3.972 1.842 ( -3.489 0.000 -3.356) 4.841 2.138 ( -2.809 0.000 13.818) 14.100 2.170 ( -1.970 0.000 16.420) 16.538 2.198 ( 3.365 0.000 -0.793) 3.457 2.247 ( -3.441 0.000 6.112) 7.014 2.324 ( -4.928 0.000 2.908) 5.721 2.592 ( -7.565 0.000 0.998) 7.630 2.689 ( 5.218 0.000 7.169) 8.867 2.758 ( 1.231 0.000 -2.263) 2.576 2.915 ( 0.438 0.000 -1.572) 1.632 2.976 ( 5.507 0.000 3.685) 6.626 3.141 ( 2.830 0.000 3.052) 4.162 3.143 ( -2.693 0.000 0.727) 2.790 3.238 ( 1.645 0.000 -10.138) 10.271 3.346 ( 3.593 0.000 -2.736) 4.516 3.391 ( 2.044 0.000 -3.624) 4.161 3.438 ( -0.128 0.000 -3.790) 3.792 3.499 ( -1.031 0.000 -4.162) 4.287 3.545 ( 0.585 0.000 -8.060) 8.081 3.886 ( 4.487 0.000 -0.680) 4.539 3.912 ( -3.176 0.000 -0.318) 3.192 3.992 ( -2.812 0.000 2.038) 3.473 4.069 ( -1.116 0.000 2.105) 2.382 4.112 ( -2.355 0.000 0.404) 2.390 4.262 ( -1.580 0.000 1.133) 1.944 5.140 ( 3.007 0.000 1.341) 3.293 5.178 ( 1.934 0.000 0.647) 2.039 5.378 ( 0.129 0.000 -5.361) 5.362 5.437 ( -0.759 0.000 -5.135) 5.191 6.011 ( -0.577 0.000 -0.540) 0.790 6.018 ( 0.902 0.000 -0.534) 1.049 6.031 ( 0.283 0.000 0.255) 0.381 6.039 ( -1.099 0.000 -0.248) 1.127 6.042 ( -0.303 0.000 -0.060) 0.309 6.056 ( -1.078 0.000 0.110) 1.083 7.690 ( 0.171 0.000 -1.293) 1.304 7.709 ( -0.233 0.000 -1.437) 1.456 ======================= Grid point 138 (49/75) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 5.932 0.000 0.640) 5.967 0.915 ( -2.161 0.000 2.266) 3.131 1.116 ( -0.068 0.000 -1.191) 1.193 1.210 ( -4.365 0.000 1.163) 4.518 1.232 ( 7.278 0.000 1.583) 7.449 1.273 ( 5.120 0.000 0.451) 5.140 1.470 ( 1.061 0.000 0.158) 1.073 1.486 ( 0.373 0.000 -0.063) 0.379 1.625 ( 6.855 0.000 -3.558) 7.724 1.640 ( 1.515 0.000 -2.985) 3.347 1.690 ( 3.575 0.000 -3.930) 5.313 1.767 ( -4.133 0.000 -2.912) 5.056 2.078 ( -2.261 0.000 10.174) 10.422 2.130 ( -3.622 0.000 17.928) 18.290 2.194 ( -0.762 0.000 4.890) 4.949 2.248 ( -2.961 0.000 6.965) 7.569 2.265 ( 3.709 0.000 -1.138) 3.880 2.456 ( -6.426 0.000 -0.335) 6.435 2.777 ( 2.914 0.000 0.315) 2.931 2.793 ( 2.664 0.000 1.904) 3.274 2.922 ( 0.879 0.000 -2.442) 2.596 3.073 ( -4.440 0.000 1.104) 4.575 3.081 ( 4.934 0.000 3.776) 6.213 3.173 ( 0.372 0.000 3.716) 3.735 3.277 ( 2.414 0.000 -11.713) 11.959 3.374 ( -1.402 0.000 -9.511) 9.614 3.439 ( 0.306 0.000 -4.059) 4.071 3.450 ( 4.857 0.000 0.481) 4.881 3.476 ( -1.313 0.000 -4.450) 4.640 3.578 ( 1.382 0.000 -1.577) 2.097 3.826 ( -2.658 0.000 0.435) 2.693 3.921 ( -4.197 0.000 2.288) 4.780 4.015 ( 6.446 0.000 -0.658) 6.480 4.051 ( -0.634 0.000 1.859) 1.964 4.071 ( -1.725 0.000 0.961) 1.975 4.215 ( -3.368 0.000 1.031) 3.522 5.193 ( 2.181 0.000 1.195) 2.487 5.210 ( 1.214 0.000 0.726) 1.415 5.385 ( 0.599 0.000 -5.316) 5.350 5.420 ( -1.004 0.000 -5.221) 5.317 6.002 ( -0.236 0.000 -0.475) 0.531 6.018 ( -1.002 0.000 -0.310) 1.049 6.022 ( -0.415 0.000 0.644) 0.766 6.028 ( -0.420 0.000 0.166) 0.451 6.044 ( 0.270 0.000 -1.058) 1.092 6.049 ( 0.417 0.000 -1.301) 1.366 7.694 ( 0.237 0.000 -1.282) 1.304 7.704 ( -0.271 0.000 -1.355) 1.382 ======================= Grid point 139 (50/75) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.854 ( -4.283 0.000 0.904) 4.377 0.854 ( 4.284 0.000 0.904) 4.378 1.139 ( -2.576 0.000 0.213) 2.585 1.139 ( 2.576 0.000 0.213) 2.585 1.314 ( -1.094 0.000 0.284) 1.130 1.314 ( 1.094 0.000 0.284) 1.131 1.485 ( -0.462 0.000 -0.130) 0.480 1.485 ( 0.462 0.000 -0.130) 0.480 1.691 ( -3.538 0.000 -2.726) 4.466 1.691 ( 3.538 0.000 -2.726) 4.466 1.712 ( -1.728 0.000 -3.434) 3.845 1.712 ( 1.728 0.000 -3.434) 3.845 2.070 ( -1.604 0.000 11.509) 11.621 2.070 ( 1.604 0.000 11.509) 11.620 2.205 ( -1.528 0.000 8.698) 8.831 2.205 ( 1.528 0.000 8.698) 8.831 2.347 ( -4.856 0.000 -1.013) 4.960 2.347 ( 4.856 0.000 -1.013) 4.960 2.812 ( -0.960 0.000 -0.581) 1.122 2.812 ( 0.960 0.000 -0.581) 1.122 2.980 ( -4.769 0.000 0.305) 4.779 2.980 ( 4.769 0.000 0.305) 4.779 3.153 ( -2.426 0.000 3.868) 4.566 3.153 ( 2.426 0.000 3.868) 4.566 3.329 ( -2.798 0.000 -11.096) 11.443 3.329 ( 2.798 0.000 -11.096) 11.443 3.452 ( -1.058 0.000 -4.389) 4.515 3.452 ( 1.059 0.000 -4.389) 4.515 3.546 ( -4.349 0.000 0.254) 4.356 3.546 ( 4.349 0.000 0.253) 4.356 3.840 ( -3.570 0.000 1.713) 3.960 3.840 ( 3.571 0.000 1.714) 3.961 4.049 ( -0.484 0.000 1.474) 1.551 4.049 ( 0.484 0.000 1.473) 1.551 4.131 ( -5.314 0.000 0.242) 5.320 4.131 ( 5.315 0.000 0.242) 5.320 5.219 ( -0.454 0.000 0.950) 1.053 5.219 ( 0.454 0.000 0.950) 1.053 5.400 ( -0.972 0.000 -5.268) 5.357 5.400 ( 0.972 0.000 -5.268) 5.357 6.004 ( -0.437 0.000 -0.393) 0.587 6.004 ( 0.437 0.000 -0.393) 0.587 6.020 ( -0.200 0.000 0.431) 0.475 6.020 ( 0.200 0.000 0.431) 0.475 6.051 ( -0.172 0.000 -1.473) 1.483 6.051 ( 0.172 0.000 -1.473) 1.483 7.699 ( -0.270 0.000 -1.299) 1.327 7.699 ( 0.270 0.000 -1.299) 1.327 ======================= Grid point 144 (51/75) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 0.000 15.563 2.857) 15.823 0.722 ( 0.000 2.308 9.103) 9.391 0.830 ( 0.000 -1.771 4.537) 4.870 1.047 ( 0.000 6.599 6.024) 8.935 1.162 ( 0.000 -2.892 -1.019) 3.067 1.288 ( 0.000 1.903 -6.146) 6.433 1.368 ( 0.000 -3.467 1.781) 3.898 1.376 ( 0.000 0.152 0.562) 0.582 1.395 ( 0.000 -0.766 0.051) 0.767 1.448 ( 0.000 -2.589 -4.723) 5.386 1.677 ( 0.000 -4.726 -5.250) 7.064 1.836 ( 0.000 -7.072 -5.779) 9.133 2.135 ( 0.000 3.361 0.592) 3.413 2.197 ( 0.000 2.881 16.803) 17.048 2.275 ( 0.000 0.075 18.004) 18.004 2.310 ( 0.000 -3.439 0.076) 3.440 2.470 ( 0.000 0.583 2.254) 2.329 2.535 ( 0.000 -0.541 10.019) 10.034 2.721 ( 0.000 -0.232 -1.375) 1.395 2.784 ( 0.000 -0.839 5.614) 5.677 2.910 ( 0.000 1.560 1.374) 2.079 2.925 ( 0.000 1.296 2.049) 2.424 3.018 ( 0.000 2.691 -0.243) 2.701 3.132 ( 0.000 -1.574 0.320) 1.606 3.246 ( 0.000 0.312 -2.441) 2.461 3.277 ( 0.000 -1.002 -2.253) 2.466 3.310 ( 0.000 1.703 -9.639) 9.789 3.438 ( 0.000 -3.669 -5.764) 6.832 3.470 ( 0.000 1.398 -6.124) 6.281 3.589 ( 0.000 -1.712 -9.871) 10.019 3.802 ( 0.000 5.653 -0.225) 5.658 4.019 ( 0.000 0.305 1.499) 1.530 4.038 ( 0.000 -0.401 1.576) 1.626 4.092 ( 0.000 -4.130 1.897) 4.545 4.172 ( 0.000 2.852 -0.280) 2.866 4.278 ( 0.000 -0.789 -0.154) 0.804 5.075 ( 0.000 0.990 1.306) 1.639 5.122 ( 0.000 -0.780 0.852) 1.155 5.391 ( 0.000 1.068 -5.279) 5.386 5.443 ( 0.000 -0.891 -5.015) 5.093 5.998 ( 0.000 0.260 0.045) 0.264 6.011 ( 0.000 -0.236 0.152) 0.281 6.030 ( 0.000 0.403 -0.519) 0.657 6.052 ( 0.000 -0.516 0.231) 0.566 6.070 ( 0.000 0.343 0.576) 0.670 6.082 ( 0.000 -0.139 0.489) 0.509 7.691 ( 0.000 0.391 -1.337) 1.393 7.710 ( 0.000 -0.345 -1.494) 1.533 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 2.169 13.388 3.973) 14.133 0.837 ( 9.844 2.366 6.328) 11.939 0.925 ( 8.649 -1.529 3.526) 9.465 1.041 ( -0.361 6.678 5.403) 8.598 1.150 ( -0.886 -2.389 -1.114) 2.781 1.331 ( -2.097 -2.296 1.005) 3.268 1.343 ( 4.512 1.432 -4.381) 6.450 1.404 ( 1.838 -0.843 0.354) 2.053 1.415 ( 1.735 -1.064 0.292) 2.056 1.490 ( 4.058 -1.892 -4.987) 6.702 1.662 ( -1.414 -3.175 -5.359) 6.387 1.820 ( -1.621 -6.538 -5.343) 8.598 2.118 ( -0.938 0.873 4.698) 4.870 2.212 ( -0.153 2.126 11.986) 12.174 2.227 ( -3.223 -0.935 13.081) 13.505 2.297 ( -1.121 -0.707 6.953) 7.078 2.439 ( -3.195 1.937 1.620) 4.072 2.572 ( 2.217 -2.458 7.301) 8.016 2.713 ( -0.982 0.761 0.632) 1.394 2.774 ( -0.934 0.504 3.968) 4.108 2.903 ( 0.887 1.207 1.464) 2.094 2.918 ( 0.794 1.155 0.103) 1.405 3.073 ( 3.430 0.899 0.857) 3.648 3.147 ( 0.809 -1.522 1.080) 2.034 3.240 ( -0.436 0.935 -5.787) 5.878 3.279 ( 1.442 -0.821 -2.972) 3.404 3.348 ( 2.708 0.945 -5.966) 6.620 3.441 ( 0.231 -2.552 -5.239) 5.832 3.475 ( 0.661 1.296 -5.921) 6.097 3.586 ( -0.310 -0.797 -9.128) 9.168 3.817 ( 1.548 3.890 -0.184) 4.190 3.988 ( -3.063 0.109 1.006) 3.226 4.020 ( -1.709 -0.618 1.582) 2.410 4.083 ( -0.972 -3.956 1.658) 4.398 4.164 ( -0.683 3.449 0.185) 3.521 4.275 ( -0.368 -0.762 0.396) 0.935 5.096 ( 2.042 0.816 1.298) 2.554 5.137 ( 1.465 -0.705 0.815) 1.819 5.390 ( -0.131 1.031 -5.293) 5.394 5.439 ( -0.358 -0.857 -5.061) 5.146 6.004 ( 0.654 0.228 -0.142) 0.706 6.016 ( 0.431 -0.228 -0.049) 0.490 6.026 ( -0.317 0.384 -0.486) 0.696 6.046 ( -0.563 -0.479 0.151) 0.755 6.063 ( -0.714 0.317 0.492) 0.923 6.074 ( -0.793 -0.135 0.421) 0.908 7.691 ( 0.046 0.355 -1.330) 1.378 7.709 ( -0.114 -0.321 -1.471) 1.510 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 4.048 11.163 3.165) 12.289 0.995 ( 2.090 3.216 5.232) 6.487 1.073 ( 5.700 2.894 2.243) 6.775 1.102 ( 7.731 -1.021 2.195) 8.101 1.147 ( 2.321 -0.310 -0.567) 2.409 1.286 ( -2.232 -0.936 1.286) 2.741 1.404 ( 1.806 -2.213 0.307) 2.873 1.434 ( 1.005 -2.462 0.165) 2.664 1.509 ( 7.415 2.115 -3.777) 8.586 1.583 ( 4.702 -0.551 -4.800) 6.742 1.639 ( -0.084 -1.009 -5.008) 5.109 1.778 ( -2.632 -5.432 -4.535) 7.550 2.112 ( 0.066 -1.472 8.704) 8.828 2.141 ( -3.462 -1.578 7.786) 8.666 2.213 ( -1.596 1.439 13.651) 13.819 2.271 ( -1.461 -0.126 9.048) 9.166 2.362 ( -3.938 3.929 -0.560) 5.591 2.545 ( -4.970 -3.695 1.139) 6.297 2.728 ( 3.197 2.804 5.651) 7.072 2.775 ( 1.035 1.130 -0.619) 1.653 2.936 ( 0.816 1.553 -0.594) 1.852 2.967 ( 4.824 -0.600 3.117) 5.775 3.121 ( 0.947 -0.947 -0.184) 1.352 3.138 ( -1.082 -1.023 0.986) 1.786 3.253 ( 1.467 1.230 -8.047) 8.272 3.319 ( 2.146 -1.904 -4.564) 5.391 3.397 ( 2.136 0.760 -3.250) 3.963 3.443 ( 0.034 -0.630 -3.850) 3.902 3.505 ( 2.613 1.905 -3.920) 5.082 3.580 ( -0.103 1.294 -7.105) 7.223 3.857 ( 2.149 -0.942 0.159) 2.352 3.909 ( -4.760 -0.263 0.284) 4.775 3.980 ( -2.103 -0.317 1.513) 2.610 4.057 ( -1.593 -3.447 1.215) 3.986 4.150 ( -0.672 4.404 0.918) 4.548 4.262 ( -1.131 -0.445 1.143) 1.668 5.145 ( 2.731 0.417 1.241) 3.029 5.172 ( 1.990 -0.567 0.759) 2.204 5.388 ( 0.020 0.894 -5.292) 5.367 5.430 ( -0.619 -0.705 -5.149) 5.234 6.013 ( -0.568 0.198 -0.459) 0.757 6.019 ( 0.629 0.029 -0.418) 0.756 6.030 ( 0.190 -0.063 0.091) 0.220 6.034 ( -0.305 -0.261 -0.460) 0.610 6.046 ( -0.795 0.239 0.064) 0.833 6.055 ( -1.072 -0.123 0.179) 1.094 7.693 ( 0.102 0.259 -1.314) 1.343 7.706 ( -0.184 -0.252 -1.415) 1.449 ======================= Grid point 147 (54/75) ======================= q-point: ( 0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 4.451 8.814 2.142) 10.104 0.987 ( -1.545 5.917 3.085) 6.849 1.110 ( 0.537 -1.038 0.695) 1.360 1.179 ( -1.581 -2.226 1.619) 3.174 1.257 ( 6.123 1.634 0.692) 6.375 1.294 ( 3.277 1.551 0.131) 3.628 1.432 ( 1.128 -2.820 0.392) 3.062 1.446 ( 0.317 -2.937 0.093) 2.955 1.621 ( 1.705 -1.088 -4.379) 4.824 1.650 ( 5.537 1.693 -3.846) 6.951 1.694 ( 3.382 -0.370 -3.904) 5.178 1.724 ( -2.625 -3.410 -3.902) 5.809 2.081 ( -1.437 0.327 10.008) 10.116 2.135 ( 0.208 -1.465 16.462) 16.528 2.159 ( -2.552 0.249 4.132) 4.863 2.232 ( -2.598 -1.313 8.754) 9.225 2.323 ( 0.103 3.513 -0.414) 3.539 2.438 ( -5.291 -1.623 -0.342) 5.545 2.793 ( 2.513 1.313 0.451) 2.871 2.809 ( 2.341 1.108 1.882) 3.201 2.948 ( 0.913 2.326 -1.498) 2.914 3.054 ( 1.682 -1.806 2.394) 3.439 3.086 ( -0.779 0.606 1.542) 1.831 3.148 ( 0.384 -2.014 1.339) 2.449 3.284 ( 1.728 0.707 -9.968) 10.141 3.340 ( -0.275 -2.054 -8.934) 9.171 3.435 ( 1.847 -0.042 -1.496) 2.377 3.446 ( 0.396 0.240 -3.054) 3.089 3.551 ( 1.562 4.427 -2.565) 5.350 3.598 ( 1.781 1.754 -2.241) 3.357 3.817 ( -3.476 -0.837 0.524) 3.613 3.866 ( -2.209 -4.484 1.523) 5.226 3.969 ( 1.359 -0.594 0.417) 1.540 4.027 ( -1.496 -2.877 0.896) 3.364 4.148 ( 0.766 4.582 1.103) 4.775 4.230 ( -2.186 0.622 1.245) 2.591 5.192 ( 1.944 -0.014 1.086) 2.227 5.205 ( 1.245 -0.467 0.773) 1.538 5.392 ( 0.391 0.609 -5.230) 5.280 5.416 ( -0.734 -0.348 -5.189) 5.252 6.003 ( -0.303 0.141 -0.455) 0.565 6.014 ( -0.688 -0.297 -0.259) 0.793 6.025 ( -0.644 0.124 0.548) 0.855 6.028 ( -0.568 -0.019 0.278) 0.633 6.045 ( 0.358 0.055 -1.165) 1.220 6.048 ( 0.426 -0.052 -1.303) 1.372 7.695 ( 0.155 0.128 -1.301) 1.316 7.702 ( -0.204 -0.145 -1.352) 1.375 ======================= Grid point 148 (55/75) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -3.343 7.028 1.880) 8.006 0.940 ( 3.343 7.028 1.880) 8.007 1.134 ( -2.085 -0.876 1.272) 2.595 1.134 ( 2.086 -0.878 1.272) 2.596 1.326 ( -0.783 1.126 -0.052) 1.373 1.326 ( 0.784 1.126 -0.052) 1.373 1.446 ( -0.332 -3.012 0.180) 3.036 1.446 ( 0.332 -3.012 0.180) 3.036 1.662 ( -2.553 -2.325 -4.170) 5.413 1.662 ( 2.553 -2.325 -4.170) 5.414 1.725 ( -1.032 0.799 -3.400) 3.642 1.725 ( 1.032 0.799 -3.400) 3.642 2.086 ( -2.057 1.505 12.283) 12.544 2.086 ( 2.057 1.505 12.283) 12.544 2.182 ( -2.388 -1.981 7.346) 7.975 2.182 ( 2.388 -1.981 7.346) 7.974 2.355 ( -3.094 0.644 -0.349) 3.179 2.355 ( 3.094 0.644 -0.349) 3.180 2.826 ( -0.847 1.035 0.089) 1.340 2.826 ( 0.847 1.034 0.089) 1.340 2.995 ( -3.804 1.279 -0.555) 4.052 2.995 ( 3.805 1.279 -0.555) 4.052 3.134 ( -2.034 -1.599 3.339) 4.224 3.134 ( 2.034 -1.599 3.339) 4.224 3.318 ( -1.656 -0.594 -10.355) 10.504 3.318 ( 1.656 -0.594 -10.355) 10.504 3.453 ( -0.294 -0.044 -3.151) 3.165 3.453 ( 0.294 -0.043 -3.151) 3.165 3.592 ( -2.429 3.785 -0.615) 4.540 3.592 ( 2.430 3.785 -0.615) 4.540 3.810 ( -2.497 -2.835 1.460) 4.050 3.810 ( 2.497 -2.835 1.460) 4.050 4.000 ( -1.408 -2.461 0.576) 2.894 4.000 ( 1.409 -2.462 0.576) 2.894 4.182 ( -2.481 2.735 1.041) 3.837 4.182 ( 2.482 2.735 1.041) 3.837 5.214 ( -0.343 -0.326 0.890) 1.008 5.214 ( 0.343 -0.326 0.890) 1.008 5.402 ( -0.670 0.159 -5.183) 5.228 5.402 ( 0.670 0.159 -5.183) 5.228 6.003 ( -0.305 -0.028 -0.418) 0.518 6.003 ( 0.305 -0.028 -0.418) 0.518 6.020 ( -0.140 -0.022 0.437) 0.459 6.020 ( 0.140 -0.022 0.437) 0.459 6.051 ( -0.124 0.013 -1.473) 1.478 6.051 ( 0.124 0.013 -1.473) 1.478 7.698 ( -0.191 -0.014 -1.310) 1.324 7.698 ( 0.191 -0.014 -1.310) 1.324 ======================= Grid point 153 (56/75) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.780 ( 0.000 -2.868 6.465) 7.072 0.780 ( 0.000 2.868 6.465) 7.072 1.002 ( 0.000 -11.625 2.907) 11.983 1.002 ( 0.000 11.624 2.908) 11.982 1.231 ( 0.000 -9.284 4.618) 10.369 1.231 ( 0.000 9.285 4.618) 10.370 1.342 ( 0.000 -2.904 -4.209) 5.114 1.342 ( 0.000 2.904 -4.209) 5.114 1.403 ( 0.000 -1.366 -0.821) 1.594 1.403 ( 0.000 1.366 -0.821) 1.594 1.685 ( 0.000 -5.667 -8.033) 9.831 1.685 ( 0.000 5.667 -8.033) 9.831 2.222 ( 0.000 -4.577 0.172) 4.580 2.222 ( 0.000 4.577 0.172) 4.580 2.253 ( 0.000 -2.189 18.125) 18.256 2.253 ( 0.000 2.189 18.125) 18.256 2.500 ( 0.000 -2.217 3.803) 4.402 2.500 ( 0.000 2.217 3.803) 4.402 2.749 ( 0.000 -2.245 2.652) 3.474 2.749 ( 0.000 2.245 2.652) 3.475 2.935 ( 0.000 -0.468 2.630) 2.671 2.935 ( 0.000 0.468 2.630) 2.671 3.082 ( 0.000 -3.044 0.079) 3.045 3.082 ( 0.000 3.044 0.079) 3.045 3.257 ( 0.000 -0.789 -2.453) 2.577 3.257 ( 0.000 0.789 -2.453) 2.577 3.361 ( 0.000 -3.190 -7.562) 8.208 3.361 ( 0.000 3.190 -7.563) 8.208 3.526 ( 0.000 -3.366 -8.123) 8.793 3.526 ( 0.000 3.366 -8.123) 8.793 3.955 ( 0.000 -7.898 0.742) 7.933 3.956 ( 0.000 7.898 0.742) 7.933 4.028 ( 0.000 -0.501 1.529) 1.609 4.028 ( 0.000 0.501 1.529) 1.609 4.242 ( 0.000 -2.825 0.088) 2.826 4.242 ( 0.000 2.825 0.088) 2.826 5.100 ( 0.000 -1.243 1.097) 1.658 5.100 ( 0.000 1.243 1.097) 1.658 5.418 ( 0.000 -1.374 -5.130) 5.310 5.418 ( 0.000 1.374 -5.130) 5.310 6.004 ( 0.000 -0.351 0.102) 0.365 6.004 ( 0.000 0.351 0.102) 0.365 6.041 ( 0.000 -0.568 -0.261) 0.626 6.041 ( 0.000 0.568 -0.261) 0.626 6.077 ( 0.000 -0.315 0.677) 0.747 6.077 ( 0.000 0.315 0.677) 0.747 7.701 ( 0.000 -0.520 -1.403) 1.497 7.701 ( 0.000 0.520 -1.403) 1.497 ======================= Grid point 155 (57/75) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 7.795 -2.700 6.606) 10.568 0.870 ( 7.794 2.700 6.606) 10.568 1.012 ( 1.521 -10.044 1.855) 10.326 1.012 ( 1.521 10.043 1.856) 10.326 1.215 ( -1.105 -8.213 3.361) 8.943 1.215 ( -1.106 8.214 3.361) 8.944 1.378 ( 1.645 -1.595 -0.656) 2.383 1.378 ( 1.645 1.595 -0.656) 2.383 1.436 ( 4.488 -2.741 -3.524) 6.330 1.436 ( 4.488 2.741 -3.524) 6.330 1.679 ( -0.651 -5.356 -7.683) 9.388 1.679 ( -0.651 5.357 -7.683) 9.388 2.166 ( -3.619 -3.141 6.104) 7.760 2.166 ( -3.619 3.141 6.104) 7.760 2.268 ( 0.007 -2.070 12.828) 12.994 2.268 ( 0.007 2.070 12.828) 12.994 2.500 ( -0.722 -3.703 2.080) 4.308 2.500 ( -0.722 3.703 2.080) 4.308 2.753 ( 0.556 -2.150 3.956) 4.537 2.753 ( 0.556 2.150 3.956) 4.537 2.927 ( 0.166 -0.563 0.809) 0.999 2.927 ( 0.166 0.563 0.809) 0.999 3.106 ( 1.449 -2.117 0.597) 2.634 3.106 ( 1.449 2.117 0.597) 2.634 3.260 ( 0.603 -0.951 -3.785) 3.949 3.260 ( 0.603 0.951 -3.785) 3.949 3.383 ( 1.913 -2.380 -6.085) 6.809 3.383 ( 1.913 2.380 -6.085) 6.809 3.531 ( 0.709 -3.325 -7.355) 8.102 3.531 ( 0.708 3.325 -7.355) 8.102 3.940 ( -1.768 -6.316 0.726) 6.599 3.940 ( -1.768 6.317 0.726) 6.600 4.013 ( -1.260 -0.474 1.255) 1.841 4.013 ( -1.260 0.474 1.255) 1.841 4.239 ( -0.343 -2.865 0.511) 2.930 4.239 ( -0.343 2.865 0.511) 2.930 5.117 ( 1.690 -1.087 1.074) 2.278 5.117 ( 1.690 1.087 1.074) 2.278 5.415 ( -0.245 -1.319 -5.160) 5.331 5.415 ( -0.245 1.319 -5.160) 5.331 6.010 ( 0.552 -0.307 -0.073) 0.636 6.010 ( 0.552 0.307 -0.073) 0.636 6.036 ( -0.456 -0.519 -0.289) 0.749 6.036 ( -0.456 0.519 -0.289) 0.749 6.069 ( -0.766 -0.294 0.580) 1.005 6.069 ( -0.766 0.294 0.580) 1.005 7.700 ( -0.042 -0.478 -1.392) 1.472 7.700 ( -0.042 0.478 -1.392) 1.472 ======================= Grid point 157 (58/75) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 3.234 -6.445 7.153) 10.157 0.985 ( 3.234 6.444 7.153) 10.157 1.089 ( 4.877 -3.348 -0.347) 5.926 1.089 ( 4.877 3.349 -0.346) 5.927 1.211 ( 1.833 -6.246 2.084) 6.835 1.211 ( 1.834 6.246 2.084) 6.835 1.394 ( 0.511 -1.226 0.292) 1.360 1.394 ( 0.511 1.227 0.292) 1.361 1.557 ( 6.792 -2.664 -4.126) 8.382 1.557 ( 6.792 2.664 -4.125) 8.382 1.662 ( -0.913 -4.474 -6.770) 8.166 1.662 ( -0.913 4.474 -6.770) 8.166 2.110 ( -1.938 -1.086 7.417) 7.742 2.110 ( -1.938 1.086 7.417) 7.742 2.248 ( -2.035 -1.645 12.491) 12.762 2.248 ( -2.035 1.645 12.491) 12.762 2.456 ( -3.527 -4.615 -0.147) 5.811 2.456 ( -3.527 4.615 -0.147) 5.811 2.777 ( 1.873 -1.330 3.147) 3.896 2.777 ( 1.873 1.330 3.147) 3.896 2.958 ( 2.705 -0.445 1.309) 3.038 2.958 ( 2.705 0.445 1.309) 3.038 3.116 ( -0.338 -0.652 -0.825) 1.105 3.116 ( -0.338 0.652 -0.825) 1.105 3.282 ( 1.446 -1.581 -6.105) 6.470 3.282 ( 1.446 1.581 -6.105) 6.470 3.420 ( 1.606 -1.299 -3.311) 3.903 3.420 ( 1.606 1.299 -3.311) 3.903 3.560 ( 2.411 -2.656 -5.252) 6.360 3.560 ( 2.411 2.656 -5.252) 6.360 3.884 ( -3.888 -2.361 0.737) 4.607 3.884 ( -3.888 2.361 0.737) 4.608 3.991 ( -0.873 -1.873 0.868) 2.242 3.991 ( -0.873 1.873 0.868) 2.242 4.229 ( -0.588 -2.793 1.118) 3.065 4.229 ( -0.588 2.793 1.118) 3.066 5.157 ( 2.252 -0.743 1.008) 2.577 5.157 ( 2.252 0.743 1.008) 2.577 5.410 ( -0.286 -1.101 -5.196) 5.319 5.410 ( -0.286 1.101 -5.196) 5.319 6.017 ( -0.259 -0.199 -0.274) 0.426 6.017 ( -0.259 0.199 -0.274) 0.426 6.030 ( 0.257 -0.120 -0.417) 0.505 6.030 ( 0.257 0.120 -0.417) 0.505 6.051 ( -0.985 -0.222 0.197) 1.029 6.051 ( -0.985 0.222 0.197) 1.029 7.699 ( -0.051 -0.361 -1.364) 1.412 7.699 ( -0.051 0.361 -1.364) 1.412 ======================= Grid point 159 (59/75) ======================= q-point: ( 0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 2.363 -6.073 4.875) 8.138 1.035 ( 2.363 6.073 4.875) 8.138 1.112 ( -1.162 -4.473 1.348) 4.814 1.112 ( -1.163 4.474 1.348) 4.815 1.297 ( 4.776 -1.782 -0.064) 5.098 1.297 ( 4.776 1.782 -0.064) 5.098 1.401 ( 0.209 -0.799 0.513) 0.972 1.401 ( 0.210 0.799 0.513) 0.973 1.631 ( -0.085 -2.632 -5.972) 6.526 1.631 ( -0.085 2.632 -5.972) 6.527 1.688 ( 4.226 -1.249 -3.848) 5.850 1.688 ( 4.226 1.249 -3.848) 5.850 2.096 ( 0.512 -1.289 9.677) 9.776 2.096 ( 0.512 1.289 9.677) 9.776 2.195 ( -3.255 -2.108 10.219) 10.930 2.195 ( -3.255 2.108 10.218) 10.929 2.391 ( -2.684 -2.862 -0.467) 3.952 2.391 ( -2.684 2.863 -0.467) 3.952 2.817 ( 2.001 -0.593 1.266) 2.441 2.817 ( 2.001 0.593 1.266) 2.441 3.005 ( 1.485 -2.774 0.773) 3.240 3.005 ( 1.485 2.774 0.773) 3.240 3.108 ( -0.129 -1.546 0.262) 1.573 3.108 ( -0.129 1.546 0.262) 1.573 3.305 ( 0.792 -1.314 -8.797) 8.929 3.305 ( 0.792 1.314 -8.797) 8.929 3.442 ( 0.833 -0.476 -2.106) 2.314 3.442 ( 0.833 0.477 -2.106) 2.314 3.617 ( 3.072 -1.128 -2.352) 4.030 3.617 ( 3.072 1.128 -2.352) 4.030 3.804 ( -3.979 -0.585 0.983) 4.140 3.804 ( -3.979 0.585 0.983) 4.140 3.979 ( -0.426 -1.397 0.517) 1.549 3.979 ( -0.427 1.397 0.517) 1.550 4.218 ( -0.509 -1.957 1.306) 2.407 4.218 ( -0.509 1.958 1.306) 2.408 5.195 ( 1.490 -0.372 0.903) 1.782 5.195 ( 1.490 0.372 0.903) 1.782 5.406 ( -0.140 -0.640 -5.156) 5.197 5.406 ( -0.140 0.640 -5.156) 5.197 6.008 ( -0.470 -0.261 -0.376) 0.656 6.008 ( -0.470 0.261 -0.376) 0.656 6.027 ( -0.692 -0.096 0.468) 0.841 6.027 ( -0.692 0.096 0.468) 0.841 6.046 ( 0.434 -0.093 -1.281) 1.356 6.046 ( 0.434 0.093 -1.281) 1.356 7.699 ( -0.031 -0.193 -1.334) 1.348 7.699 ( -0.031 0.193 -1.334) 1.348 ======================= Grid point 161 (60/75) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 1.075 ( -0.004 0.007 6.894) 6.894 1.075 ( 0.017 0.037 6.894) 6.894 1.082 ( -0.015 -0.037 -1.387) 1.388 1.082 ( 0.003 -0.007 -1.387) 1.387 1.347 ( 0.000 -0.001 -0.508) 0.508 1.347 ( -0.000 0.000 -0.508) 0.508 1.402 ( -0.000 0.000 0.678) 0.678 1.402 ( 0.000 0.001 0.678) 0.678 1.628 ( 0.000 0.000 -6.009) 6.009 1.628 ( 0.000 0.000 -6.009) 6.009 1.735 ( -0.000 0.000 -3.473) 3.473 1.735 ( 0.000 0.000 -3.473) 3.473 2.118 ( -0.000 0.000 19.091) 19.091 2.118 ( 0.000 0.001 19.091) 19.091 2.144 ( -0.000 -0.001 0.341) 0.341 2.144 ( 0.000 -0.000 0.341) 0.341 2.364 ( 0.000 -0.000 -0.018) 0.018 2.364 ( 0.000 0.000 -0.018) 0.018 2.840 ( -0.000 -0.000 1.000) 1.000 2.840 ( 0.000 0.000 1.000) 1.000 3.014 ( -0.000 -0.000 -2.386) 2.386 3.014 ( 0.000 0.000 -2.386) 2.386 3.110 ( 0.000 -0.000 3.621) 3.621 3.110 ( 0.000 0.000 3.621) 3.621 3.312 ( -0.000 0.000 -9.745) 9.745 3.312 ( 0.000 0.000 -9.745) 9.745 3.452 ( -0.000 0.000 -2.561) 2.561 3.452 ( 0.001 0.000 -2.562) 2.562 3.656 ( 0.000 0.000 -0.740) 0.740 3.656 ( -0.000 0.001 -0.740) 0.740 3.755 ( 0.001 -0.000 1.085) 1.085 3.755 ( -0.000 0.000 1.085) 1.085 3.975 ( 0.000 0.000 0.329) 0.329 3.975 ( 0.001 0.000 0.329) 0.329 4.213 ( -0.000 0.000 1.283) 1.283 4.213 ( 0.000 0.000 1.284) 1.284 5.210 ( 0.000 0.000 0.837) 0.837 5.210 ( 0.000 0.000 0.837) 0.837 5.404 ( 0.000 0.000 -5.105) 5.105 5.404 ( 0.000 0.000 -5.105) 5.105 6.003 ( -0.000 0.000 -0.441) 0.441 6.003 ( 0.000 0.000 -0.441) 0.441 6.019 ( -0.000 0.000 0.439) 0.439 6.019 ( 0.000 0.000 0.439) 0.439 6.052 ( 0.000 -0.000 -1.471) 1.471 6.052 ( 0.000 0.000 -1.471) 1.471 7.698 ( -0.000 -0.000 -1.321) 1.321 7.698 ( 0.000 0.000 -1.321) 1.321 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 0.000 0.000 0.000) 0.000 0.830 ( 0.000 0.000 -0.000) 0.000 0.893 ( 0.000 0.000 0.000) 0.000 1.057 ( 0.000 0.000 0.000) 0.000 1.116 ( 0.000 0.000 -0.000) 0.000 1.175 ( 0.000 0.000 0.000) 0.000 1.392 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.415 ( 0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 -0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 -0.000) 0.000 2.902 ( 0.000 0.000 -0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.138 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 -0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.019 ( 0.000 0.000 -0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 -0.000) 0.000 7.672 ( 0.000 0.000 -0.000) 0.000 7.697 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 182 (62/75) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.567 ( 3.313 0.000 0.000) 3.313 0.922 ( 8.454 0.000 -0.000) 8.454 0.976 ( 7.692 0.000 0.000) 7.692 1.045 ( -1.239 0.000 0.000) 1.239 1.105 ( -0.933 0.000 -0.000) 0.933 1.243 ( 6.707 0.000 0.000) 6.707 1.361 ( -2.170 0.000 0.000) 2.170 1.418 ( 1.339 0.000 0.000) 1.339 1.446 ( 1.902 0.000 0.000) 1.902 1.454 ( 3.666 0.000 0.000) 3.666 1.675 ( -4.062 0.000 0.000) 4.062 1.855 ( -1.692 0.000 0.000) 1.692 2.136 ( 2.514 0.000 -0.000) 2.514 2.298 ( -4.623 0.000 0.000) 4.623 2.307 ( -0.561 0.000 -0.000) 0.561 2.389 ( 0.556 0.000 0.000) 0.556 2.485 ( -2.746 0.000 0.000) 2.746 2.711 ( 1.979 0.000 -0.000) 1.979 2.770 ( -8.744 0.000 0.000) 8.744 2.866 ( -1.985 0.000 0.000) 1.985 2.924 ( 3.757 0.000 -0.000) 3.757 2.927 ( 1.518 0.000 -0.000) 1.518 3.022 ( -3.835 0.000 0.000) 3.835 3.088 ( 5.969 0.000 0.000) 5.969 3.224 ( 0.469 0.000 -0.001) 0.469 3.232 ( 4.036 0.000 0.001) 4.036 3.303 ( 4.583 0.000 0.000) 4.583 3.359 ( -0.647 0.000 -0.000) 0.647 3.400 ( -0.387 0.000 0.000) 0.387 3.470 ( -0.755 0.000 0.000) 0.755 3.778 ( 3.764 0.000 0.000) 3.764 3.997 ( -3.438 0.000 0.000) 3.438 4.049 ( -1.120 0.000 0.000) 1.120 4.113 ( -0.838 0.000 0.000) 0.838 4.154 ( -1.626 0.000 0.000) 1.626 4.285 ( 0.131 0.000 0.000) 0.131 5.102 ( 2.250 0.000 -0.000) 2.250 5.151 ( 1.350 0.000 0.000) 1.350 5.321 ( -0.112 0.000 0.000) 0.112 5.394 ( -0.462 0.000 -0.000) 0.462 6.000 ( 0.476 0.000 -0.000) 0.476 6.015 ( -0.427 0.000 -0.000) 0.427 6.019 ( 0.354 0.000 0.000) 0.354 6.055 ( -0.709 0.000 0.000) 0.709 6.070 ( -0.805 0.000 0.000) 0.805 6.073 ( -0.762 0.000 -0.000) 0.762 7.673 ( 0.093 0.000 -0.000) 0.093 7.696 ( -0.107 0.000 0.000) 0.107 ======================= Grid point 184 (63/75) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 5.348 0.000 0.000) 5.348 1.010 ( -2.343 0.000 0.000) 2.343 1.089 ( -0.486 0.000 -0.000) 0.486 1.106 ( 9.450 0.000 -0.000) 9.450 1.143 ( 8.512 0.000 0.000) 8.512 1.307 ( -3.694 0.000 0.000) 3.694 1.409 ( 9.630 0.000 0.000) 9.630 1.447 ( 1.507 0.000 0.000) 1.507 1.475 ( 0.898 0.000 0.000) 0.898 1.547 ( 5.520 0.000 0.000) 5.520 1.607 ( -2.013 0.000 0.000) 2.013 1.808 ( -3.148 0.000 0.000) 3.148 2.190 ( 3.027 0.000 -0.000) 3.027 2.202 ( -4.760 0.000 0.000) 4.760 2.273 ( -3.318 0.000 -0.000) 3.318 2.402 ( 0.597 0.000 0.000) 0.597 2.431 ( -2.170 0.000 -0.000) 2.170 2.601 ( -8.452 0.000 0.000) 8.452 2.733 ( 0.355 0.000 -0.000) 0.355 2.842 ( -0.448 0.000 0.000) 0.448 2.954 ( -2.918 0.000 0.000) 2.918 2.983 ( 4.144 0.000 0.000) 4.144 3.018 ( 5.618 0.000 -0.000) 5.618 3.182 ( 3.574 0.000 0.000) 3.574 3.204 ( -2.977 0.000 -0.000) 2.977 3.262 ( -0.136 0.000 -0.000) 0.136 3.375 ( 2.820 0.000 0.000) 2.820 3.392 ( -0.411 0.000 0.000) 0.411 3.438 ( 7.822 0.000 -0.000) 7.822 3.449 ( -1.345 0.000 0.000) 1.345 3.877 ( 6.263 0.000 0.000) 6.263 3.912 ( -4.957 0.000 0.000) 4.957 4.014 ( -2.619 0.000 0.000) 2.619 4.093 ( -1.203 0.000 0.000) 1.203 4.117 ( -2.078 0.000 0.000) 2.078 4.275 ( -1.330 0.000 0.000) 1.330 5.155 ( 2.973 0.000 -0.000) 2.973 5.185 ( 1.921 0.000 0.000) 1.921 5.320 ( 0.121 0.000 0.000) 0.121 5.382 ( -0.829 0.000 -0.000) 0.829 6.005 ( -0.547 0.000 -0.000) 0.547 6.012 ( 0.690 0.000 -0.000) 0.690 6.027 ( 0.456 0.000 0.000) 0.456 6.037 ( -1.126 0.000 0.000) 1.126 6.050 ( -1.103 0.000 0.000) 1.103 6.054 ( -1.077 0.000 -0.000) 1.077 7.676 ( 0.179 0.000 -0.000) 0.179 7.693 ( -0.184 0.000 0.000) 0.184 ======================= Grid point 186 (64/75) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.764 ( 5.865 0.000 0.001) 5.865 0.953 ( -3.557 0.000 0.000) 3.557 1.094 ( 1.138 0.000 -0.000) 1.138 1.220 ( -4.868 0.000 0.000) 4.868 1.257 ( 5.778 0.000 -0.000) 5.778 1.276 ( 4.889 0.000 0.000) 4.889 1.471 ( 0.906 0.000 -0.000) 0.906 1.482 ( 0.075 0.000 0.000) 0.075 1.581 ( 7.376 0.000 0.000) 7.376 1.610 ( 1.892 0.000 0.000) 1.892 1.644 ( 3.870 0.000 0.000) 3.870 1.738 ( -3.904 0.000 0.000) 3.904 2.130 ( -2.307 0.000 -0.000) 2.307 2.190 ( -4.602 0.000 0.000) 4.602 2.253 ( 3.628 0.000 -0.000) 3.628 2.407 ( -0.481 0.000 0.002) 0.481 2.408 ( 0.020 0.000 -0.002) 0.020 2.452 ( -6.942 0.000 0.000) 6.942 2.741 ( 0.845 0.000 -0.000) 0.845 2.822 ( -2.246 0.000 0.000) 2.246 2.941 ( 2.202 0.000 0.000) 2.202 3.072 ( 4.365 0.000 0.000) 4.365 3.124 ( -4.441 0.000 -0.000) 4.441 3.126 ( 5.144 0.000 -0.000) 5.144 3.223 ( 0.646 0.000 0.000) 0.646 3.237 ( -2.475 0.000 -0.000) 2.475 3.388 ( 0.031 0.000 0.000) 0.031 3.421 ( -1.535 0.000 0.000) 1.535 3.455 ( 5.020 0.000 0.000) 5.020 3.562 ( 3.807 0.000 0.000) 3.807 3.831 ( -2.285 0.000 0.000) 2.285 3.946 ( -4.146 0.000 0.000) 4.146 4.009 ( 6.829 0.000 -0.000) 6.829 4.072 ( -0.816 0.000 0.000) 0.816 4.082 ( -1.411 0.000 0.000) 1.411 4.227 ( -3.683 0.000 0.000) 3.683 5.206 ( 2.053 0.000 -0.000) 2.053 5.218 ( 1.317 0.000 0.000) 1.317 5.327 ( 0.617 0.000 0.000) 0.617 5.363 ( -1.044 0.000 -0.000) 1.044 5.997 ( -0.194 0.000 -0.000) 0.194 6.015 ( -1.044 0.000 0.000) 1.044 6.023 ( 0.342 0.000 0.000) 0.342 6.030 ( -0.630 0.000 0.000) 0.630 6.035 ( 0.120 0.000 -0.000) 0.120 6.037 ( -0.557 0.000 0.000) 0.557 7.680 ( 0.237 0.000 -0.000) 0.237 7.689 ( -0.229 0.000 0.000) 0.229 ======================= Grid point 188 (65/75) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -5.023 0.000 0.001) 5.023 0.871 ( 5.024 0.000 0.001) 5.024 1.137 ( -3.403 0.000 0.000) 3.403 1.137 ( 3.403 0.000 0.000) 3.403 1.319 ( -0.564 0.000 -0.000) 0.564 1.319 ( 0.564 0.000 0.000) 0.564 1.481 ( -0.205 0.000 0.000) 0.205 1.481 ( 0.205 0.000 0.000) 0.205 1.664 ( -3.534 0.000 0.000) 3.534 1.664 ( 3.534 0.000 0.000) 3.534 1.671 ( -1.609 0.000 0.000) 1.609 1.671 ( 1.609 0.000 0.000) 1.609 2.123 ( -1.735 0.000 0.000) 1.735 2.123 ( 1.735 0.000 0.000) 1.735 2.336 ( -5.057 0.000 0.000) 5.057 2.336 ( 5.058 0.000 0.000) 5.058 2.405 ( -0.148 0.000 0.000) 0.148 2.405 ( 0.148 0.000 0.000) 0.148 2.773 ( -2.357 0.000 0.000) 2.357 2.773 ( 2.357 0.000 0.000) 2.357 3.017 ( -4.987 0.000 0.000) 4.987 3.017 ( 4.987 0.000 0.000) 4.987 3.170 ( -4.276 0.000 -0.000) 4.276 3.170 ( 4.277 0.000 0.000) 4.277 3.204 ( -2.671 0.000 0.000) 2.671 3.204 ( 2.671 0.000 0.000) 2.671 3.396 ( -0.889 0.000 0.000) 0.889 3.396 ( 0.889 0.000 0.000) 0.889 3.550 ( -4.098 0.000 0.000) 4.098 3.550 ( 4.099 0.000 0.000) 4.099 3.859 ( -4.243 0.000 0.001) 4.243 3.859 ( 4.244 0.000 0.000) 4.244 4.065 ( -0.227 0.000 0.000) 0.227 4.065 ( 0.227 0.000 0.000) 0.227 4.134 ( -5.863 0.000 0.000) 5.863 4.134 ( 5.863 0.000 0.000) 5.863 5.229 ( -0.272 0.000 0.000) 0.272 5.229 ( 0.272 0.000 0.000) 0.272 5.343 ( -0.995 0.000 0.000) 0.995 5.343 ( 0.995 0.000 0.000) 0.995 5.999 ( -0.485 0.000 0.000) 0.485 5.999 ( 0.485 0.000 0.000) 0.485 6.023 ( -0.031 0.000 0.000) 0.031 6.023 ( 0.031 0.000 0.000) 0.031 6.036 ( -0.119 0.000 -0.000) 0.119 6.036 ( 0.119 0.000 0.000) 0.119 7.684 ( -0.250 0.000 0.000) 0.250 7.684 ( 0.250 0.000 0.000) 0.250 ======================= Grid point 198 (66/75) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 15.156 0.000) 15.156 0.838 ( 0.000 0.730 -0.000) 0.730 0.882 ( 0.000 -0.927 0.000) 0.927 1.111 ( 0.000 2.951 0.000) 2.951 1.175 ( 0.000 5.427 -0.001) 5.427 1.204 ( 0.000 2.675 0.000) 2.675 1.363 ( 0.000 -3.174 0.000) 3.174 1.372 ( 0.000 -2.870 0.000) 2.870 1.402 ( 0.000 -0.049 0.000) 0.049 1.406 ( 0.000 -0.394 0.000) 0.394 1.625 ( 0.000 -7.507 0.000) 7.507 1.765 ( 0.000 -9.034 0.000) 9.034 2.142 ( 0.000 3.116 0.000) 3.116 2.311 ( 0.000 -3.450 0.000) 3.450 2.376 ( 0.000 5.348 -0.000) 5.348 2.398 ( 0.000 1.235 0.000) 1.235 2.491 ( 0.000 -1.674 0.000) 1.674 2.716 ( 0.000 -3.610 -0.000) 3.610 2.741 ( 0.000 -2.047 0.000) 2.047 2.851 ( 0.000 -1.589 0.000) 1.589 2.965 ( 0.000 4.168 0.000) 4.168 3.016 ( 0.000 2.816 0.000) 2.816 3.022 ( 0.000 3.158 -0.000) 3.158 3.116 ( 0.000 3.031 0.000) 3.031 3.136 ( 0.000 -1.608 -0.000) 1.608 3.219 ( 0.000 0.311 0.000) 0.311 3.253 ( 0.000 -1.199 0.000) 1.199 3.298 ( 0.000 -4.858 0.000) 4.858 3.410 ( 0.000 0.605 0.000) 0.605 3.482 ( 0.000 -1.403 0.000) 1.403 3.801 ( 0.000 6.144 0.000) 6.144 4.035 ( 0.000 0.313 0.000) 0.313 4.055 ( 0.000 -0.423 0.000) 0.423 4.112 ( 0.000 -5.417 0.000) 5.417 4.170 ( 0.000 3.810 -0.000) 3.810 4.277 ( 0.000 -0.621 0.000) 0.621 5.089 ( 0.000 0.909 0.000) 0.909 5.131 ( 0.000 -0.668 0.000) 0.668 5.335 ( 0.000 1.131 0.000) 1.131 5.389 ( 0.000 -0.925 0.000) 0.925 5.998 ( 0.000 0.284 -0.000) 0.284 6.012 ( 0.000 -0.255 0.000) 0.255 6.024 ( 0.000 0.478 -0.000) 0.478 6.053 ( 0.000 -0.697 0.000) 0.697 6.080 ( 0.000 0.201 0.000) 0.201 6.084 ( 0.000 0.155 -0.000) 0.155 7.676 ( 0.000 0.366 -0.000) 0.366 7.694 ( 0.000 -0.301 0.000) 0.301 ======================= Grid point 200 (67/75) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 2.104 14.366 0.001) 14.520 0.928 ( 8.219 0.584 -0.000) 8.240 0.967 ( 7.790 -0.807 0.000) 7.832 1.101 ( -0.983 3.275 0.000) 3.419 1.153 ( -1.256 4.275 -0.001) 4.456 1.276 ( 6.181 3.138 0.000) 6.932 1.333 ( -1.638 -2.857 0.000) 3.294 1.416 ( 1.371 -0.145 -0.000) 1.378 1.417 ( 1.106 -1.541 0.000) 1.897 1.430 ( 4.169 -1.940 0.000) 4.598 1.604 ( -1.772 -5.744 0.000) 6.011 1.755 ( -1.024 -8.520 0.000) 8.581 2.139 ( -0.052 1.301 -0.000) 1.302 2.265 ( -4.041 -2.881 -0.000) 4.963 2.381 ( 0.161 5.763 -0.000) 5.765 2.401 ( 0.316 1.047 0.000) 1.093 2.468 ( -2.196 -1.311 0.000) 2.557 2.680 ( -4.105 -5.961 0.000) 7.237 2.770 ( 1.763 2.903 0.000) 3.397 2.869 ( 0.557 -0.387 0.000) 0.678 2.928 ( -1.765 0.878 -0.000) 1.971 2.938 ( -0.018 1.260 -0.000) 1.260 3.051 ( -3.627 2.636 0.000) 4.483 3.130 ( 4.769 2.494 0.000) 5.382 3.201 ( -1.748 -2.247 0.000) 2.847 3.215 ( 2.993 -1.478 -0.000) 3.338 3.298 ( 5.316 -0.162 0.000) 5.319 3.322 ( 2.388 -1.854 -0.000) 3.024 3.414 ( 0.455 1.140 0.000) 1.227 3.484 ( 0.150 -0.554 0.000) 0.574 3.816 ( 1.582 4.469 0.000) 4.741 4.000 ( -3.487 0.139 0.000) 3.489 4.038 ( -1.681 -0.711 0.000) 1.826 4.100 ( -1.214 -4.806 0.000) 4.957 4.169 ( -0.236 4.065 -0.000) 4.072 4.280 ( 0.144 -0.684 0.000) 0.699 5.110 ( 2.035 0.725 -0.000) 2.160 5.145 ( 1.426 -0.586 0.000) 1.541 5.333 ( -0.155 1.091 0.000) 1.102 5.385 ( -0.413 -0.886 -0.000) 0.977 6.003 ( 0.444 0.257 -0.000) 0.513 6.015 ( 0.110 -0.164 0.000) 0.198 6.021 ( -0.201 0.371 -0.000) 0.422 6.046 ( -0.623 -0.643 -0.000) 0.895 6.072 ( -0.829 0.184 0.000) 0.849 6.076 ( -0.825 0.122 -0.000) 0.834 7.677 ( 0.052 0.331 -0.000) 0.336 7.693 ( -0.089 -0.283 0.000) 0.297 ======================= Grid point 202 (68/75) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 3.596 12.355 0.001) 12.868 1.062 ( -0.386 2.939 0.000) 2.965 1.116 ( 7.300 1.248 -0.012) 7.406 1.118 ( 2.674 1.097 0.012) 2.890 1.150 ( 5.156 2.220 -0.001) 5.613 1.295 ( -2.293 -1.411 0.000) 2.693 1.400 ( 4.397 -0.632 0.000) 4.442 1.433 ( 0.610 -2.784 -0.000) 2.850 1.471 ( 5.700 1.988 0.000) 6.036 1.523 ( 4.309 -1.874 0.000) 4.699 1.583 ( 0.816 -2.162 0.000) 2.311 1.725 ( -2.118 -7.204 0.000) 7.509 2.147 ( 0.870 -1.511 -0.000) 1.744 2.184 ( -3.842 -1.557 -0.000) 4.146 2.352 ( -3.658 4.822 -0.000) 6.053 2.405 ( -0.138 0.288 0.000) 0.319 2.433 ( -0.696 0.419 -0.000) 0.812 2.570 ( -6.545 -3.069 0.000) 7.229 2.771 ( -0.752 3.112 -0.000) 3.202 2.855 ( -0.603 0.471 0.000) 0.765 2.973 ( 4.984 -0.319 -0.002) 4.994 2.977 ( -2.781 2.114 0.002) 3.493 3.010 ( 4.798 -0.434 0.000) 4.818 3.152 ( -3.302 -4.073 0.000) 5.243 3.198 ( 2.440 1.091 0.000) 2.673 3.237 ( -0.037 -1.608 -0.000) 1.609 3.379 ( 2.991 0.481 0.001) 3.029 3.402 ( 1.811 0.217 0.000) 1.824 3.454 ( 6.062 1.628 -0.000) 6.277 3.489 ( 0.552 2.053 0.000) 2.126 3.859 ( 2.590 -0.288 0.000) 2.606 3.913 ( -5.099 -0.054 0.000) 5.100 3.997 ( -2.232 -0.661 0.000) 2.328 4.070 ( -1.764 -3.816 0.000) 4.204 4.161 ( -0.432 4.577 0.000) 4.598 4.275 ( -0.871 -0.457 0.000) 0.983 5.158 ( 2.670 0.303 -0.000) 2.687 5.180 ( 1.963 -0.449 0.000) 2.014 5.331 ( 0.028 0.956 0.000) 0.956 5.374 ( -0.668 -0.710 -0.000) 0.975 6.008 ( -0.585 0.268 -0.000) 0.643 6.013 ( 0.552 0.126 -0.000) 0.566 6.026 ( 0.463 -0.105 -0.000) 0.475 6.031 ( -0.868 -0.419 -0.000) 0.963 6.051 ( -1.155 0.127 0.000) 1.162 6.056 ( -1.188 0.035 -0.000) 1.188 7.678 ( 0.111 0.238 -0.000) 0.262 7.691 ( -0.146 -0.229 0.000) 0.272 ======================= Grid point 204 (69/75) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 4.136 9.770 0.001) 10.610 1.023 ( -2.645 5.154 0.001) 5.793 1.123 ( 0.527 2.478 -0.001) 2.533 1.199 ( -1.471 -1.214 -0.000) 1.907 1.276 ( 5.014 0.186 -0.002) 5.017 1.287 ( 3.142 1.805 0.002) 3.624 1.441 ( 0.969 -2.193 -0.001) 2.397 1.442 ( 0.421 -2.880 0.001) 2.910 1.567 ( 1.837 -3.250 0.000) 3.733 1.604 ( 5.893 1.374 0.000) 6.051 1.651 ( 3.918 0.188 0.000) 3.923 1.678 ( -2.442 -5.097 0.000) 5.652 2.131 ( -1.368 0.111 -0.000) 1.372 2.162 ( -0.022 -1.713 -0.000) 1.713 2.280 ( -2.187 2.056 0.000) 3.002 2.378 ( -3.325 -2.178 0.000) 3.975 2.429 ( 0.031 1.667 -0.000) 1.668 2.466 ( -3.258 0.507 0.000) 3.297 2.769 ( 0.814 2.522 -0.000) 2.650 2.846 ( -1.316 1.462 0.000) 1.967 2.940 ( 0.367 0.179 0.000) 0.408 3.070 ( 0.240 -2.964 0.000) 2.974 3.082 ( 0.548 -0.428 0.000) 0.696 3.115 ( 4.981 -0.827 -0.000) 5.050 3.223 ( -1.396 -0.652 -0.001) 1.540 3.226 ( 0.330 0.101 0.001) 0.345 3.409 ( -0.115 1.175 0.001) 1.180 3.413 ( 0.348 -0.033 -0.000) 0.350 3.522 ( 3.039 4.557 0.000) 5.477 3.576 ( 4.611 1.187 0.000) 4.761 3.824 ( -3.276 -0.720 0.000) 3.355 3.882 ( -1.394 -4.855 0.000) 5.051 3.976 ( 0.860 -0.338 -0.000) 0.924 4.037 ( -1.622 -3.197 0.000) 3.585 4.161 ( 0.694 4.706 0.000) 4.757 4.244 ( -2.295 0.697 0.000) 2.399 5.203 ( 1.805 -0.148 -0.000) 1.811 5.213 ( 1.272 -0.421 0.000) 1.340 5.336 ( 0.442 0.700 0.000) 0.828 5.360 ( -0.725 -0.298 -0.000) 0.784 5.998 ( -0.288 0.158 -0.000) 0.329 6.010 ( -0.765 -0.329 -0.000) 0.832 6.026 ( 0.175 0.228 0.000) 0.288 6.031 ( -0.687 0.075 0.000) 0.691 6.034 ( 0.166 -0.104 -0.000) 0.196 6.036 ( -0.615 -0.092 0.000) 0.622 7.681 ( 0.158 0.110 -0.000) 0.193 7.687 ( -0.171 -0.141 0.000) 0.221 ======================= Grid point 206 (70/75) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -3.650 7.221 0.001) 8.091 0.963 ( 3.651 7.222 0.001) 8.093 1.150 ( -2.280 1.017 -0.001) 2.497 1.150 ( 2.280 1.017 -0.000) 2.497 1.327 ( -0.142 0.757 0.000) 0.771 1.327 ( 0.142 0.758 0.000) 0.771 1.448 ( -0.093 -2.555 0.000) 2.556 1.448 ( 0.093 -2.554 0.000) 2.556 1.613 ( -2.663 -4.151 0.000) 4.932 1.613 ( 2.664 -4.151 0.000) 4.932 1.686 ( -0.791 0.805 0.000) 1.128 1.686 ( 0.791 0.805 0.000) 1.128 2.135 ( -1.633 0.941 0.000) 1.885 2.135 ( 1.633 0.941 0.000) 1.885 2.301 ( -3.506 -2.134 0.000) 4.104 2.301 ( 3.506 -2.134 0.000) 4.105 2.435 ( -0.654 1.655 -0.000) 1.779 2.435 ( 0.654 1.655 0.000) 1.779 2.803 ( -2.435 2.618 0.000) 3.576 2.803 ( 2.435 2.618 0.000) 3.576 2.991 ( -4.062 -2.579 0.000) 4.812 2.991 ( 4.063 -2.579 0.000) 4.812 3.157 ( -2.386 -0.264 -0.000) 2.401 3.157 ( 2.387 -0.263 -0.000) 2.401 3.210 ( -1.500 0.158 0.000) 1.509 3.210 ( 1.500 0.158 0.000) 1.509 3.409 ( -0.290 0.719 0.000) 0.775 3.409 ( 0.290 0.718 0.000) 0.775 3.587 ( -2.830 3.368 0.000) 4.399 3.587 ( 2.830 3.368 0.000) 4.399 3.826 ( -3.011 -3.123 0.001) 4.338 3.826 ( 3.012 -3.122 0.000) 4.339 4.007 ( -1.600 -2.726 -0.000) 3.161 4.007 ( 1.600 -2.727 0.000) 3.162 4.194 ( -2.549 2.982 0.000) 3.923 4.194 ( 2.550 2.981 0.000) 3.923 5.223 ( -0.240 -0.409 0.000) 0.474 5.223 ( 0.240 -0.409 0.000) 0.474 5.347 ( -0.665 0.266 0.000) 0.716 5.347 ( 0.665 0.266 0.000) 0.716 5.999 ( -0.335 -0.050 -0.000) 0.339 5.999 ( 0.335 -0.050 0.000) 0.339 6.023 ( -0.003 0.016 0.000) 0.017 6.023 ( 0.003 0.016 0.000) 0.017 6.036 ( -0.101 -0.018 -0.000) 0.102 6.036 ( 0.101 -0.018 0.000) 0.102 7.684 ( -0.177 -0.023 0.000) 0.178 7.684 ( 0.177 -0.023 0.000) 0.178 ======================= Grid point 216 (71/75) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 -1.185 0.000) 1.185 0.859 ( 0.000 1.186 0.000) 1.186 1.029 ( 0.000 -11.100 0.001) 11.100 1.029 ( 0.000 11.100 0.000) 11.100 1.279 ( 0.000 -4.262 0.000) 4.262 1.279 ( 0.000 4.262 0.000) 4.262 1.312 ( 0.000 -6.035 -0.000) 6.035 1.312 ( 0.000 6.035 -0.000) 6.035 1.402 ( 0.000 -0.057 0.000) 0.057 1.402 ( 0.000 0.057 0.000) 0.057 1.573 ( 0.000 -6.312 0.000) 6.312 1.573 ( 0.000 6.312 0.000) 6.312 2.224 ( 0.000 -4.450 0.000) 4.450 2.224 ( 0.000 4.450 -0.000) 4.450 2.429 ( 0.000 -1.449 0.000) 1.449 2.429 ( 0.000 1.449 -0.000) 1.449 2.542 ( 0.000 -7.766 0.000) 7.766 2.542 ( 0.000 7.766 0.000) 7.766 2.805 ( 0.000 -2.989 -0.000) 2.989 2.805 ( 0.000 2.989 -0.000) 2.989 3.035 ( 0.000 -1.823 -0.000) 1.823 3.035 ( 0.000 1.823 -0.000) 1.823 3.084 ( 0.000 -3.243 0.000) 3.243 3.084 ( 0.000 3.243 0.000) 3.243 3.198 ( 0.000 -4.573 0.000) 4.573 3.198 ( 0.000 4.573 0.000) 4.573 3.230 ( 0.000 -0.835 0.000) 0.835 3.230 ( 0.000 0.835 0.000) 0.835 3.436 ( 0.000 -2.051 0.000) 2.051 3.436 ( 0.000 2.051 0.000) 2.051 3.963 ( 0.000 -8.338 0.000) 8.338 3.963 ( 0.000 8.338 0.000) 8.338 4.045 ( 0.000 -0.524 0.000) 0.524 4.045 ( 0.000 0.524 0.000) 0.524 4.244 ( 0.000 -2.724 0.000) 2.724 4.244 ( 0.000 2.724 0.000) 2.724 5.111 ( 0.000 -1.105 0.000) 1.105 5.111 ( 0.000 1.105 0.000) 1.105 5.363 ( 0.000 -1.437 0.000) 1.437 5.363 ( 0.000 1.438 0.000) 1.438 6.005 ( 0.000 -0.381 -0.000) 0.381 6.005 ( 0.000 0.381 0.000) 0.381 6.037 ( 0.000 -0.726 -0.000) 0.726 6.037 ( 0.000 0.726 0.000) 0.726 6.084 ( 0.000 -0.147 0.000) 0.147 6.084 ( 0.000 0.147 0.000) 0.147 7.685 ( 0.000 -0.471 0.000) 0.471 7.685 ( 0.000 0.471 0.000) 0.471 ======================= Grid point 220 (72/75) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 0.945 ( 7.792 -0.933 0.000) 7.847 0.945 ( 7.792 0.933 0.000) 7.847 1.036 ( 0.788 -10.172 0.001) 10.202 1.036 ( 0.789 10.173 0.000) 10.203 1.257 ( -1.300 -4.801 -0.000) 4.974 1.257 ( -1.301 4.802 0.000) 4.975 1.366 ( 3.246 -4.603 -0.000) 5.633 1.366 ( 3.246 4.603 -0.000) 5.633 1.414 ( 2.307 -0.012 0.000) 2.307 1.414 ( 2.307 0.012 0.000) 2.307 1.573 ( -0.111 -6.153 0.000) 6.154 1.573 ( -0.112 6.154 0.000) 6.155 2.194 ( -2.563 -3.501 0.000) 4.339 2.194 ( -2.563 3.501 -0.000) 4.339 2.429 ( -0.164 -1.450 0.000) 1.460 2.429 ( -0.164 1.450 -0.000) 1.460 2.530 ( -1.614 -7.379 0.000) 7.554 2.530 ( -1.614 7.380 0.000) 7.554 2.836 ( 2.411 -2.703 0.000) 3.622 2.836 ( 2.411 2.703 0.000) 3.622 2.950 ( -3.494 -0.555 -0.000) 3.538 2.950 ( -3.494 0.555 -0.000) 3.538 3.121 ( -2.055 -3.549 0.000) 4.101 3.121 ( -2.055 3.549 0.000) 4.101 3.183 ( 2.004 -1.355 -0.000) 2.419 3.183 ( 2.004 1.355 0.000) 2.419 3.301 ( 5.241 -0.424 0.000) 5.258 3.301 ( 5.241 0.424 0.000) 5.258 3.447 ( 1.154 -2.073 -0.000) 2.372 3.447 ( 1.154 2.073 0.000) 2.373 3.947 ( -1.782 -6.701 0.000) 6.934 3.947 ( -1.782 6.702 0.000) 6.935 4.027 ( -1.468 -0.086 0.000) 1.471 4.027 ( -1.469 0.086 0.000) 1.471 4.245 ( 0.032 -2.823 0.000) 2.823 4.245 ( 0.032 2.823 0.000) 2.823 5.129 ( 1.664 -0.939 0.000) 1.911 5.129 ( 1.664 0.939 -0.000) 1.911 5.360 ( -0.283 -1.374 0.000) 1.403 5.360 ( -0.283 1.374 0.000) 1.403 6.009 ( 0.355 -0.337 -0.000) 0.490 6.009 ( 0.355 0.337 0.000) 0.490 6.032 ( -0.486 -0.663 -0.000) 0.822 6.032 ( -0.486 0.663 -0.000) 0.822 6.076 ( -0.857 -0.146 0.000) 0.869 6.076 ( -0.857 0.146 0.000) 0.869 7.685 ( -0.029 -0.434 0.000) 0.435 7.685 ( -0.029 0.434 0.000) 0.435 ======================= Grid point 224 (73/75) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 1.126 -7.088 0.001) 7.177 1.043 ( 1.128 7.087 0.001) 7.176 1.118 ( 7.113 -0.288 -0.000) 7.119 1.118 ( 7.112 0.290 -0.000) 7.118 1.238 ( 0.013 -4.412 -0.000) 4.412 1.239 ( 0.013 4.412 -0.000) 4.412 1.393 ( 0.703 -0.451 0.000) 0.836 1.393 ( 0.703 0.452 0.000) 0.835 1.519 ( 6.991 -2.039 0.000) 7.283 1.519 ( 6.992 2.038 0.000) 7.283 1.566 ( -0.578 -5.541 0.001) 5.571 1.566 ( -0.579 5.542 0.000) 5.572 2.149 ( -1.642 -1.355 -0.000) 2.129 2.149 ( -1.642 1.355 -0.000) 2.129 2.408 ( -2.678 -0.328 0.000) 2.698 2.408 ( -2.678 0.328 0.000) 2.698 2.484 ( -2.214 -4.515 -0.000) 5.028 2.484 ( -2.214 4.515 0.000) 5.028 2.835 ( -1.357 -2.415 0.000) 2.770 2.835 ( -1.357 2.415 -0.000) 2.770 2.981 ( 5.005 -0.908 -0.000) 5.087 2.981 ( 5.005 0.908 -0.000) 5.087 3.061 ( -3.221 -4.290 0.000) 5.364 3.061 ( -3.221 4.290 0.000) 5.365 3.215 ( 0.923 -0.636 -0.000) 1.121 3.215 ( 0.923 0.636 0.000) 1.121 3.394 ( 3.121 -0.773 0.000) 3.215 3.394 ( 3.121 0.774 0.000) 3.215 3.492 ( 4.088 -1.467 -0.000) 4.343 3.492 ( 4.088 1.467 -0.000) 4.344 3.892 ( -3.791 -2.347 0.000) 4.459 3.892 ( -3.792 2.348 0.000) 4.460 4.002 ( -1.056 -1.648 0.000) 1.958 4.002 ( -1.057 1.649 0.000) 1.958 4.242 ( -0.372 -2.829 0.000) 2.853 4.242 ( -0.372 2.829 0.000) 2.854 5.168 ( 2.191 -0.595 0.000) 2.270 5.168 ( 2.191 0.595 -0.000) 2.270 5.354 ( -0.290 -1.129 -0.000) 1.165 5.354 ( -0.290 1.129 0.000) 1.165 6.014 ( -0.267 -0.193 0.000) 0.329 6.014 ( -0.267 0.193 -0.000) 0.329 6.025 ( 0.068 -0.073 -0.000) 0.099 6.025 ( 0.068 0.072 -0.000) 0.099 6.054 ( -1.228 -0.129 0.000) 1.234 6.054 ( -1.228 0.129 0.000) 1.234 7.684 ( -0.033 -0.330 0.000) 0.332 7.684 ( -0.033 0.330 -0.000) 0.332 ======================= Grid point 228 (74/75) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 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| 1.059 ( 0.611 -4.075 0.001) 4.121 1.059 ( 0.612 4.076 0.001) 4.122 1.171 ( -0.333 -1.664 -0.000) 1.697 1.171 ( -0.334 1.666 -0.000) 1.699 1.297 ( 4.355 -1.359 0.000) 4.562 1.297 ( 4.356 1.359 -0.000) 4.563 1.406 ( 0.538 -0.328 0.000) 0.630 1.406 ( 0.538 0.329 0.000) 0.631 1.553 ( -0.568 -3.488 0.000) 3.534 1.554 ( -0.568 3.488 0.000) 3.534 1.643 ( 5.090 -0.903 0.000) 5.170 1.643 ( 5.090 0.904 0.000) 5.170 2.138 ( 0.386 -0.638 -0.000) 0.746 2.138 ( 0.386 0.638 -0.000) 0.746 2.328 ( -4.521 -2.455 0.000) 5.145 2.328 ( -4.521 2.456 0.000) 5.145 2.460 ( -0.653 -1.018 -0.000) 1.209 2.460 ( -0.653 1.018 -0.000) 1.209 2.831 ( 0.882 -2.750 -0.000) 2.888 2.831 ( 0.881 2.750 -0.000) 2.888 2.984 ( -3.230 -3.901 0.000) 5.065 2.984 ( -3.230 3.902 0.000) 5.065 3.097 ( 4.993 -0.901 0.000) 5.074 3.097 ( 4.993 0.901 -0.000) 5.074 3.222 ( -0.233 -0.382 0.000) 0.447 3.222 ( -0.233 0.382 0.000) 0.447 3.418 ( 0.082 -0.197 0.000) 0.213 3.418 ( 0.082 0.197 0.000) 0.214 3.589 ( 4.931 -0.969 0.000) 5.025 3.589 ( 4.931 0.970 0.000) 5.025 3.815 ( -3.826 -0.863 0.000) 3.922 3.815 ( -3.825 0.863 0.000) 3.921 3.986 ( -0.603 -1.359 0.000) 1.487 3.986 ( -0.604 1.359 0.000) 1.487 4.233 ( -0.517 -2.007 0.000) 2.072 4.233 ( -0.517 2.007 0.000) 2.073 5.204 ( 1.396 -0.284 0.000) 1.425 5.204 ( 1.396 0.284 -0.000) 1.425 5.351 ( -0.076 -0.635 -0.000) 0.640 5.351 ( -0.076 0.635 0.000) 0.640 6.003 ( -0.512 -0.303 -0.000) 0.595 6.003 ( -0.512 0.303 0.000) 0.595 6.031 ( 0.081 -0.191 -0.000) 0.207 6.031 ( 0.081 0.191 -0.000) 0.208 6.033 ( -0.603 -0.120 0.000) 0.614 6.033 ( -0.602 0.120 0.000) 0.614 7.684 ( -0.017 -0.178 0.000) 0.178 7.684 ( -0.017 0.178 0.000) 0.178 ======================= Grid point 232 (75/75) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.000 0.000 0.000) 0.000 1.065 ( 0.001 0.001 0.001) 0.002 1.164 ( 0.000 0.000 0.000) 0.000 1.164 ( 0.000 0.001 0.000) 0.001 1.344 ( 0.000 -0.000 -0.000) 0.000 1.344 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.001 0.000) 0.001 1.548 ( 0.000 -0.000 0.000) 0.000 1.548 ( 0.000 0.001 0.001) 0.001 1.695 ( -0.000 -0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.001 0.000 0.000) 0.001 2.275 ( -0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 -0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 -0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 -0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 3.159 ( -0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.210 ( -0.000 -0.000 0.000) 0.000 3.210 ( 0.001 0.000 0.001) 0.001 3.416 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.648 ( -0.000 -0.000 0.000) 0.000 3.648 ( -0.000 0.000 -0.000) 0.000 3.767 ( 0.001 0.000 0.001) 0.002 3.767 ( 0.001 0.001 0.001) 0.002 3.979 ( 0.000 0.000 -0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.001 4.227 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.001 0.001) 0.001 5.218 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 -0.000 -0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.998 ( -0.000 0.000 -0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 -0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 -0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/12288 10.0 30.754 17.987 23.195 0.000 0.000 0.000 3/12288 20.0 10.115 5.463 14.875 0.000 0.000 0.000 3/12288 30.0 5.321 2.945 9.405 0.000 0.000 0.000 3/12288 40.0 3.468 1.968 6.613 0.000 0.000 0.000 3/12288 50.0 2.548 1.472 5.040 0.000 0.000 0.000 3/12288 60.0 2.014 1.176 4.060 0.000 0.000 0.000 3/12288 70.0 1.667 0.981 3.399 0.000 0.000 0.000 3/12288 80.0 1.424 0.843 2.925 0.000 0.000 0.000 3/12288 90.0 1.245 0.740 2.569 0.000 0.000 0.000 3/12288 100.0 1.107 0.659 2.292 0.000 0.000 0.000 3/12288 110.0 0.997 0.595 2.070 0.000 0.000 0.000 3/12288 120.0 0.908 0.543 1.888 0.000 0.000 0.000 3/12288 130.0 0.834 0.499 1.736 0.000 0.000 0.000 3/12288 140.0 0.771 0.462 1.607 0.000 0.000 0.000 3/12288 150.0 0.717 0.430 1.496 0.000 0.000 0.000 3/12288 160.0 0.671 0.402 1.400 0.000 0.000 0.000 3/12288 170.0 0.630 0.378 1.315 0.000 0.000 0.000 3/12288 180.0 0.594 0.356 1.241 0.000 0.000 0.000 3/12288 190.0 0.561 0.337 1.174 0.000 0.000 0.000 3/12288 200.0 0.533 0.320 1.114 0.000 0.000 0.000 3/12288 210.0 0.507 0.304 1.061 0.000 0.000 0.000 3/12288 220.0 0.483 0.290 1.012 0.000 0.000 0.000 3/12288 230.0 0.462 0.277 0.967 0.000 0.000 0.000 3/12288 240.0 0.442 0.266 0.926 0.000 0.000 0.000 3/12288 250.0 0.424 0.255 0.889 0.000 0.000 0.000 3/12288 260.0 0.408 0.245 0.855 0.000 0.000 0.000 3/12288 270.0 0.393 0.236 0.823 0.000 0.000 0.000 3/12288 280.0 0.378 0.227 0.793 0.000 0.000 0.000 3/12288 290.0 0.365 0.219 0.766 0.000 0.000 0.000 3/12288 300.0 0.353 0.212 0.740 0.000 0.000 0.000 3/12288 310.0 0.341 0.205 0.716 0.000 0.000 0.000 3/12288 320.0 0.331 0.199 0.694 0.000 0.000 0.000 3/12288 330.0 0.321 0.193 0.672 0.000 0.000 0.000 3/12288 340.0 0.311 0.187 0.653 0.000 0.000 0.000 3/12288 350.0 0.302 0.182 0.634 0.000 0.000 0.000 3/12288 360.0 0.294 0.177 0.616 0.000 0.000 0.000 3/12288 370.0 0.286 0.172 0.600 0.000 0.000 0.000 3/12288 380.0 0.278 0.167 0.584 0.000 0.000 0.000 3/12288 390.0 0.271 0.163 0.569 0.000 0.000 0.000 3/12288 400.0 0.264 0.159 0.554 0.000 0.000 0.000 3/12288 410.0 0.258 0.155 0.541 0.000 0.000 0.000 3/12288 420.0 0.252 0.151 0.528 0.000 0.000 0.000 3/12288 430.0 0.246 0.148 0.516 0.000 0.000 0.000 3/12288 440.0 0.240 0.144 0.504 0.000 0.000 0.000 3/12288 450.0 0.235 0.141 0.493 0.000 0.000 0.000 3/12288 460.0 0.230 0.138 0.482 0.000 0.000 0.000 3/12288 470.0 0.225 0.135 0.472 0.000 0.000 0.000 3/12288 480.0 0.220 0.132 0.462 0.000 0.000 0.000 3/12288 490.0 0.216 0.130 0.453 0.000 0.000 0.000 3/12288 500.0 0.211 0.127 0.444 0.000 0.000 0.000 3/12288 510.0 0.207 0.124 0.435 0.000 0.000 0.000 3/12288 520.0 0.203 0.122 0.426 0.000 0.000 0.000 3/12288 530.0 0.199 0.120 0.418 0.000 0.000 0.000 3/12288 540.0 0.196 0.118 0.411 0.000 0.000 0.000 3/12288 550.0 0.192 0.115 0.403 0.000 0.000 0.000 3/12288 560.0 0.189 0.113 0.396 0.000 0.000 0.000 3/12288 570.0 0.185 0.111 0.389 0.000 0.000 0.000 3/12288 580.0 0.182 0.109 0.382 0.000 0.000 0.000 3/12288 590.0 0.179 0.108 0.376 0.000 0.000 0.000 3/12288 600.0 0.176 0.106 0.370 0.000 0.000 0.000 3/12288 610.0 0.173 0.104 0.364 0.000 0.000 0.000 3/12288 620.0 0.170 0.102 0.358 0.000 0.000 0.000 3/12288 630.0 0.168 0.101 0.352 0.000 0.000 0.000 3/12288 640.0 0.165 0.099 0.347 0.000 0.000 0.000 3/12288 650.0 0.163 0.098 0.341 0.000 0.000 0.000 3/12288 660.0 0.160 0.096 0.336 0.000 0.000 0.000 3/12288 670.0 0.158 0.095 0.331 0.000 0.000 0.000 3/12288 680.0 0.155 0.093 0.326 0.000 0.000 0.000 3/12288 690.0 0.153 0.092 0.321 0.000 0.000 0.000 3/12288 700.0 0.151 0.091 0.317 0.000 0.000 0.000 3/12288 710.0 0.149 0.089 0.312 0.000 0.000 0.000 3/12288 720.0 0.147 0.088 0.308 0.000 0.000 0.000 3/12288 730.0 0.145 0.087 0.304 0.000 0.000 0.000 3/12288 740.0 0.143 0.086 0.300 0.000 0.000 0.000 3/12288 750.0 0.141 0.085 0.296 0.000 0.000 0.000 3/12288 760.0 0.139 0.083 0.292 0.000 0.000 0.000 3/12288 770.0 0.137 0.082 0.288 0.000 0.000 0.000 3/12288 780.0 0.135 0.081 0.284 0.000 0.000 0.000 3/12288 790.0 0.134 0.080 0.281 0.000 0.000 0.000 3/12288 800.0 0.132 0.079 0.277 0.000 0.000 0.000 3/12288 810.0 0.130 0.078 0.274 0.000 0.000 0.000 3/12288 820.0 0.129 0.077 0.271 0.000 0.000 0.000 3/12288 830.0 0.127 0.076 0.267 0.000 0.000 0.000 3/12288 840.0 0.126 0.076 0.264 0.000 0.000 0.000 3/12288 850.0 0.124 0.075 0.261 0.000 0.000 0.000 3/12288 860.0 0.123 0.074 0.258 0.000 0.000 0.000 3/12288 870.0 0.121 0.073 0.255 0.000 0.000 0.000 3/12288 880.0 0.120 0.072 0.252 0.000 0.000 0.000 3/12288 890.0 0.119 0.071 0.249 0.000 0.000 0.000 3/12288 900.0 0.117 0.071 0.246 0.000 0.000 0.000 3/12288 910.0 0.116 0.070 0.244 0.000 0.000 0.000 3/12288 920.0 0.115 0.069 0.241 0.000 0.000 0.000 3/12288 930.0 0.114 0.068 0.239 0.000 0.000 0.000 3/12288 940.0 0.112 0.068 0.236 0.000 0.000 0.000 3/12288 950.0 0.111 0.067 0.234 0.000 0.000 0.000 3/12288 960.0 0.110 0.066 0.231 0.000 0.000 0.000 3/12288 970.0 0.109 0.065 0.229 0.000 0.000 0.000 3/12288 980.0 0.108 0.065 0.226 0.000 0.000 0.000 3/12288 990.0 0.107 0.064 0.224 0.000 0.000 0.000 3/12288 1000.0 0.106 0.063 0.222 0.000 0.000 0.000 3/12288 Thermal conductivity related properties were written into "kappa-m848.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:58:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|