----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:14:19]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.823505351011461 0.000000000000000 0.000000000000000 b 0.000000000000000 3.884891960000000 0.000000000000000 c -3.598442787469850 0.000000000000000 10.524126006054301 Atomic positions (fractional): *1 S 0.30514473255139 0.75000000000000 0.75079666239471 32.065 2 S 0.69485526744861 0.25000000000000 0.24920333760529 32.065 *3 S 0.41669535080624 0.75000000000000 0.09608858203021 32.065 4 S 0.58330464919376 0.25000000000000 0.90391141796979 32.065 *5 S 0.61670755361916 0.75000000000000 0.46403775956518 32.065 6 S 0.38329244638084 0.25000000000000 0.53596224043482 32.065 *7 S 0.98060891930090 0.75000000000000 0.61336262334478 32.065 8 S 0.01939108069910 0.25000000000000 0.38663737665522 32.065 *9 S 0.10499748972392 0.25000000000000 0.94076604501860 32.065 10 S 0.89500251027608 0.75000000000000 0.05923395498140 32.065 *11 S 0.76043805047857 0.25000000000000 0.72605982106229 32.065 12 S 0.23956194952143 0.75000000000000 0.27394017893771 32.065 *13 Sm 0.54796231975684 0.75000000000000 0.69453802306488 150.360 14 Sm 0.45203768024316 0.25000000000000 0.30546197693512 150.360 *15 Er 0.66035618233890 0.75000000000000 0.08515111956598 167.259 16 Er 0.33964381766110 0.25000000000000 0.91484888043403 167.259 *17 Er 0.18087209175352 0.75000000000000 0.50208022180848 167.259 18 Er 0.81912790824648 0.25000000000000 0.49791977819152 167.259 *19 Er 0.93818029385099 0.75000000000000 0.83223087138100 167.259 20 Er 0.06181970614901 0.25000000000000 0.16776912861901 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.823505351011461 0.000000000000000 0.000000000000000 b 0.000000000000000 3.884891960000000 0.000000000000000 c -3.598442787469850 0.000000000000000 10.524126006054301 Atomic positions (fractional): *1 S 0.30514473255139 0.75000000000000 0.75079666239471 32.065 > 1 2 S 0.69485526744861 0.25000000000000 0.24920333760529 32.065 > 2 *3 S 0.41669535080624 0.75000000000000 0.09608858203021 32.065 > 3 4 S 0.58330464919376 0.25000000000000 0.90391141796979 32.065 > 4 *5 S 0.61670755361916 0.75000000000000 0.46403775956518 32.065 > 5 6 S 0.38329244638084 0.25000000000000 0.53596224043482 32.065 > 6 *7 S 0.98060891930090 0.75000000000000 0.61336262334478 32.065 > 7 8 S 0.01939108069910 0.25000000000000 0.38663737665522 32.065 > 8 *9 S 0.10499748972392 0.25000000000000 0.94076604501860 32.065 > 9 10 S 0.89500251027608 0.75000000000000 0.05923395498140 32.065 > 10 *11 S 0.76043805047857 0.25000000000000 0.72605982106229 32.065 > 11 12 S 0.23956194952143 0.75000000000000 0.27394017893771 32.065 > 12 *13 Sm 0.54796231975684 0.75000000000000 0.69453802306488 150.360 > 13 14 Sm 0.45203768024316 0.25000000000000 0.30546197693512 150.360 > 14 *15 Er 0.66035618233890 0.75000000000000 0.08515111956598 167.259 > 15 16 Er 0.33964381766110 0.25000000000000 0.91484888043403 167.259 > 16 *17 Er 0.18087209175352 0.75000000000000 0.50208022180848 167.259 > 17 18 Er 0.81912790824648 0.25000000000000 0.49791977819152 167.259 > 18 *19 Er 0.93818029385099 0.75000000000000 0.83223087138100 167.259 > 19 20 Er 0.06181970614901 0.25000000000000 0.16776912861901 167.259 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.647010702022921 0.000000000000000 0.000000000000000 b 0.000000000000000 11.654675879999999 0.000000000000000 c -3.598442787469850 0.000000000000000 10.524126006054301 Atomic positions (fractional): *1 S 0.15257236627570 0.25000000000000 0.75079666239471 32.065 > 1 2 S 0.65257236627570 0.25000000000000 0.75079666239471 32.065 > 1 3 S 0.15257236627570 0.58333333333333 0.75079666239471 32.065 > 1 4 S 0.65257236627570 0.58333333333333 0.75079666239471 32.065 > 1 5 S 0.15257236627570 0.91666666666667 0.75079666239471 32.065 > 1 6 S 0.65257236627570 0.91666666666667 0.75079666239471 32.065 > 1 7 S 0.34742763372430 0.08333333333333 0.24920333760529 32.065 > 2 8 S 0.84742763372430 0.08333333333333 0.24920333760529 32.065 > 2 9 S 0.34742763372430 0.41666666666667 0.24920333760529 32.065 > 2 10 S 0.84742763372430 0.41666666666667 0.24920333760529 32.065 > 2 11 S 0.34742763372430 0.75000000000000 0.24920333760529 32.065 > 2 12 S 0.84742763372430 0.75000000000000 0.24920333760529 32.065 > 2 *13 S 0.20834767540312 0.25000000000000 0.09608858203021 32.065 > 3 14 S 0.70834767540312 0.25000000000000 0.09608858203021 32.065 > 3 15 S 0.20834767540312 0.58333333333333 0.09608858203021 32.065 > 3 16 S 0.70834767540312 0.58333333333333 0.09608858203021 32.065 > 3 17 S 0.20834767540312 0.91666666666667 0.09608858203021 32.065 > 3 18 S 0.70834767540312 0.91666666666667 0.09608858203021 32.065 > 3 19 S 0.29165232459688 0.08333333333333 0.90391141796979 32.065 > 4 20 S 0.79165232459688 0.08333333333333 0.90391141796979 32.065 > 4 21 S 0.29165232459688 0.41666666666667 0.90391141796979 32.065 > 4 22 S 0.79165232459688 0.41666666666667 0.90391141796979 32.065 > 4 23 S 0.29165232459688 0.75000000000000 0.90391141796979 32.065 > 4 24 S 0.79165232459688 0.75000000000000 0.90391141796979 32.065 > 4 *25 S 0.30835377680958 0.25000000000000 0.46403775956518 32.065 > 5 26 S 0.80835377680958 0.25000000000000 0.46403775956518 32.065 > 5 27 S 0.30835377680958 0.58333333333333 0.46403775956518 32.065 > 5 28 S 0.80835377680958 0.58333333333333 0.46403775956518 32.065 > 5 29 S 0.30835377680958 0.91666666666667 0.46403775956518 32.065 > 5 30 S 0.80835377680958 0.91666666666667 0.46403775956518 32.065 > 5 31 S 0.19164622319042 0.08333333333333 0.53596224043482 32.065 > 6 32 S 0.69164622319042 0.08333333333333 0.53596224043482 32.065 > 6 33 S 0.19164622319042 0.41666666666667 0.53596224043482 32.065 > 6 34 S 0.69164622319042 0.41666666666667 0.53596224043482 32.065 > 6 35 S 0.19164622319042 0.75000000000000 0.53596224043482 32.065 > 6 36 S 0.69164622319042 0.75000000000000 0.53596224043482 32.065 > 6 *37 S 0.49030445965045 0.25000000000000 0.61336262334478 32.065 > 7 38 S 0.99030445965045 0.25000000000000 0.61336262334478 32.065 > 7 39 S 0.49030445965045 0.58333333333333 0.61336262334478 32.065 > 7 40 S 0.99030445965045 0.58333333333333 0.61336262334478 32.065 > 7 41 S 0.49030445965045 0.91666666666667 0.61336262334478 32.065 > 7 42 S 0.99030445965045 0.91666666666667 0.61336262334478 32.065 > 7 43 S 0.00969554034955 0.08333333333333 0.38663737665522 32.065 > 8 44 S 0.50969554034955 0.08333333333333 0.38663737665522 32.065 > 8 45 S 0.00969554034955 0.41666666666667 0.38663737665522 32.065 > 8 46 S 0.50969554034955 0.41666666666667 0.38663737665522 32.065 > 8 47 S 0.00969554034955 0.75000000000000 0.38663737665522 32.065 > 8 48 S 0.50969554034955 0.75000000000000 0.38663737665522 32.065 > 8 *49 S 0.05249874486196 0.08333333333333 0.94076604501860 32.065 > 9 50 S 0.55249874486196 0.08333333333333 0.94076604501860 32.065 > 9 51 S 0.05249874486196 0.41666666666667 0.94076604501860 32.065 > 9 52 S 0.55249874486196 0.41666666666667 0.94076604501860 32.065 > 9 53 S 0.05249874486196 0.75000000000000 0.94076604501860 32.065 > 9 54 S 0.55249874486196 0.75000000000000 0.94076604501860 32.065 > 9 55 S 0.44750125513804 0.25000000000000 0.05923395498140 32.065 > 10 56 S 0.94750125513804 0.25000000000000 0.05923395498140 32.065 > 10 57 S 0.44750125513804 0.58333333333333 0.05923395498140 32.065 > 10 58 S 0.94750125513804 0.58333333333333 0.05923395498140 32.065 > 10 59 S 0.44750125513804 0.91666666666667 0.05923395498140 32.065 > 10 60 S 0.94750125513804 0.91666666666667 0.05923395498140 32.065 > 10 *61 S 0.38021902523928 0.08333333333333 0.72605982106229 32.065 > 11 62 S 0.88021902523928 0.08333333333333 0.72605982106229 32.065 > 11 63 S 0.38021902523928 0.41666666666667 0.72605982106229 32.065 > 11 64 S 0.88021902523928 0.41666666666667 0.72605982106229 32.065 > 11 65 S 0.38021902523928 0.75000000000000 0.72605982106229 32.065 > 11 66 S 0.88021902523928 0.75000000000000 0.72605982106229 32.065 > 11 67 S 0.11978097476072 0.25000000000000 0.27394017893771 32.065 > 12 68 S 0.61978097476072 0.25000000000000 0.27394017893771 32.065 > 12 69 S 0.11978097476072 0.58333333333333 0.27394017893771 32.065 > 12 70 S 0.61978097476072 0.58333333333333 0.27394017893771 32.065 > 12 71 S 0.11978097476072 0.91666666666667 0.27394017893771 32.065 > 12 72 S 0.61978097476072 0.91666666666667 0.27394017893771 32.065 > 12 *73 Sm 0.27398115987842 0.25000000000000 0.69453802306488 150.360 > 13 74 Sm 0.77398115987842 0.25000000000000 0.69453802306488 150.360 > 13 75 Sm 0.27398115987842 0.58333333333333 0.69453802306488 150.360 > 13 76 Sm 0.77398115987842 0.58333333333333 0.69453802306488 150.360 > 13 77 Sm 0.27398115987842 0.91666666666667 0.69453802306488 150.360 > 13 78 Sm 0.77398115987842 0.91666666666667 0.69453802306488 150.360 > 13 79 Sm 0.22601884012158 0.08333333333333 0.30546197693512 150.360 > 14 80 Sm 0.72601884012158 0.08333333333333 0.30546197693512 150.360 > 14 81 Sm 0.22601884012158 0.41666666666667 0.30546197693512 150.360 > 14 82 Sm 0.72601884012158 0.41666666666667 0.30546197693512 150.360 > 14 83 Sm 0.22601884012158 0.75000000000000 0.30546197693512 150.360 > 14 84 Sm 0.72601884012158 0.75000000000000 0.30546197693512 150.360 > 14 *85 Er 0.33017809116945 0.25000000000000 0.08515111956598 167.259 > 15 86 Er 0.83017809116945 0.25000000000000 0.08515111956598 167.259 > 15 87 Er 0.33017809116945 0.58333333333333 0.08515111956598 167.259 > 15 88 Er 0.83017809116945 0.58333333333333 0.08515111956598 167.259 > 15 89 Er 0.33017809116945 0.91666666666667 0.08515111956598 167.259 > 15 90 Er 0.83017809116945 0.91666666666667 0.08515111956598 167.259 > 15 91 Er 0.16982190883055 0.08333333333333 0.91484888043403 167.259 > 16 92 Er 0.66982190883055 0.08333333333333 0.91484888043403 167.259 > 16 93 Er 0.16982190883055 0.41666666666667 0.91484888043403 167.259 > 16 94 Er 0.66982190883055 0.41666666666667 0.91484888043403 167.259 > 16 95 Er 0.16982190883055 0.75000000000000 0.91484888043403 167.259 > 16 96 Er 0.66982190883055 0.75000000000000 0.91484888043403 167.259 > 16 *97 Er 0.09043604587676 0.25000000000000 0.50208022180848 167.259 > 17 98 Er 0.59043604587676 0.25000000000000 0.50208022180848 167.259 > 17 99 Er 0.09043604587676 0.58333333333333 0.50208022180848 167.259 > 17 100 Er 0.59043604587676 0.58333333333333 0.50208022180848 167.259 > 17 101 Er 0.09043604587676 0.91666666666667 0.50208022180848 167.259 > 17 102 Er 0.59043604587676 0.91666666666667 0.50208022180848 167.259 > 17 103 Er 0.40956395412324 0.08333333333333 0.49791977819152 167.259 > 18 104 Er 0.90956395412324 0.08333333333333 0.49791977819152 167.259 > 18 105 Er 0.40956395412324 0.41666666666667 0.49791977819152 167.259 > 18 106 Er 0.90956395412324 0.41666666666667 0.49791977819152 167.259 > 18 107 Er 0.40956395412324 0.75000000000000 0.49791977819152 167.259 > 18 108 Er 0.90956395412324 0.75000000000000 0.49791977819152 167.259 > 18 *109 Er 0.46909014692549 0.25000000000000 0.83223087138100 167.259 > 19 110 Er 0.96909014692549 0.25000000000000 0.83223087138100 167.259 > 19 111 Er 0.46909014692549 0.58333333333333 0.83223087138100 167.259 > 19 112 Er 0.96909014692549 0.58333333333333 0.83223087138100 167.259 > 19 113 Er 0.46909014692549 0.91666666666667 0.83223087138100 167.259 > 19 114 Er 0.96909014692549 0.91666666666667 0.83223087138100 167.259 > 19 115 Er 0.03090985307451 0.08333333333333 0.16776912861901 167.259 > 20 116 Er 0.53090985307451 0.08333333333333 0.16776912861901 167.259 > 20 117 Er 0.03090985307451 0.41666666666667 0.16776912861901 167.259 > 20 118 Er 0.53090985307451 0.41666666666667 0.16776912861901 167.259 > 20 119 Er 0.03090985307451 0.75000000000000 0.16776912861901 167.259 > 20 120 Er 0.53090985307451 0.75000000000000 0.16776912861901 167.259 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3150336 0.0000000 -0.0880452 0.0000000 7.7156685 0.0000000 -0.0880485 0.0000000 7.5930652 -------------------------- Born effective charges -------------------------- 1 S -1.8048395 0.0000000 0.1946720 0.0000000 -2.6197592 0.0000000 0.2520404 0.0000000 -3.3198186 2 S -1.8048395 0.0000000 0.1946720 0.0000000 -2.6197592 0.0000000 0.2520404 0.0000000 -3.3198186 3 S -1.8850622 0.0000000 0.2075999 0.0000000 -3.0270398 0.0000000 -0.0526589 0.0000000 -2.9874091 4 S -1.8850622 0.0000000 0.2075999 0.0000000 -3.0270398 0.0000000 -0.0526589 0.0000000 -2.9874091 5 S -2.2515650 0.0000000 -0.3500585 0.0000000 -2.9790542 0.0000000 -0.3866386 0.0000000 -2.2606206 6 S -2.2515650 0.0000000 -0.3500585 0.0000000 -2.9790542 0.0000000 -0.3866386 0.0000000 -2.2606206 7 S -2.5994484 0.0000000 0.4482139 0.0000000 -2.2380422 0.0000000 0.2640543 0.0000000 -2.6165120 8 S -2.5994484 0.0000000 0.4482139 0.0000000 -2.2380422 0.0000000 0.2640543 0.0000000 -2.6165120 9 S -3.2770580 0.0000000 -0.0713897 0.0000000 -2.4621000 0.0000000 -0.0555077 0.0000000 -2.5343302 10 S -3.2770580 0.0000000 -0.0713897 0.0000000 -2.4621000 0.0000000 -0.0555077 0.0000000 -2.5343302 11 S -2.7268443 0.0000000 -0.4634352 0.0000000 -3.1301813 0.0000000 -0.1933735 0.0000000 -2.0408715 12 S -2.7268443 0.0000000 -0.4634352 0.0000000 -3.1301813 0.0000000 -0.1933735 0.0000000 -2.0408715 13 Sm 3.5966956 0.0000000 -0.1497838 0.0000000 4.0426267 0.0000000 -0.3176971 0.0000000 3.7557942 14 Sm 3.5966956 0.0000000 -0.1497838 0.0000000 4.0426267 0.0000000 -0.3176971 0.0000000 3.7557942 15 Er 3.9395029 0.0000000 -0.2972260 0.0000000 4.4741132 0.0000000 -0.0953072 0.0000000 3.5691190 16 Er 3.9395029 0.0000000 -0.2972260 0.0000000 4.4741132 0.0000000 -0.0953072 0.0000000 3.5691190 17 Er 3.8894551 0.0000000 0.1067273 0.0000000 3.6014741 0.0000000 0.4864265 0.0000000 3.7503547 18 Er 3.8894551 0.0000000 0.1067273 0.0000000 3.6014741 0.0000000 0.4864265 0.0000000 3.7503547 19 Er 3.1191639 0.0000000 0.3746802 0.0000000 4.3379627 0.0000000 0.0986617 0.0000000 4.6842941 20 Er 3.1191639 0.0000000 0.3746802 0.0000000 4.3379627 0.0000000 0.0986617 0.0000000 4.6842941 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 1.194 Solver_block: 200 / 640 - Time: 1.541 Solver_block: 300 / 640 - Time: 1.648 Solver_block: 400 / 640 - Time: 0.946 Solver_block: 500 / 640 - Time: 1.087 Solver_block: 600 / 640 - Time: 1.076 Solver_block: 640 / 640 - Time: 0.691 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.748 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), 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 00:15:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:15:16]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.823505351011461 0.000000000000000 0.000000000000000 b 0.000000000000000 3.884891960000000 0.000000000000000 c -3.598442787469850 0.000000000000000 10.524126006054301 Atomic positions (fractional): 1 S 0.30514473255139 0.75000000000000 0.75079666239471 32.065 2 S 0.69485526744861 0.25000000000000 0.24920333760529 32.065 3 S 0.41669535080624 0.75000000000000 0.09608858203021 32.065 4 S 0.58330464919376 0.25000000000000 0.90391141796979 32.065 5 S 0.61670755361916 0.75000000000000 0.46403775956518 32.065 6 S 0.38329244638084 0.25000000000000 0.53596224043482 32.065 7 S 0.98060891930090 0.75000000000000 0.61336262334478 32.065 8 S 0.01939108069910 0.25000000000000 0.38663737665522 32.065 9 S 0.10499748972392 0.25000000000000 0.94076604501860 32.065 10 S 0.89500251027608 0.75000000000000 0.05923395498140 32.065 11 S 0.76043805047857 0.25000000000000 0.72605982106229 32.065 12 S 0.23956194952143 0.75000000000000 0.27394017893771 32.065 13 Sm 0.54796231975684 0.75000000000000 0.69453802306488 150.360 14 Sm 0.45203768024316 0.25000000000000 0.30546197693512 150.360 15 Er 0.66035618233890 0.75000000000000 0.08515111956598 167.259 16 Er 0.33964381766110 0.25000000000000 0.91484888043403 167.259 17 Er 0.18087209175352 0.75000000000000 0.50208022180848 167.259 18 Er 0.81912790824648 0.25000000000000 0.49791977819152 167.259 19 Er 0.93818029385099 0.75000000000000 0.83223087138100 167.259 20 Er 0.06181970614901 0.25000000000000 0.16776912861901 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.647010702022921 0.000000000000000 0.000000000000000 b 0.000000000000000 11.654675879999999 0.000000000000000 c -3.598442787469850 0.000000000000000 10.524126006054301 Atomic positions (fractional): 1 S 0.15257236627570 0.25000000000000 0.75079666239471 32.065 > 1 2 S 0.65257236627570 0.25000000000000 0.75079666239471 32.065 > 1 3 S 0.15257236627570 0.58333333333333 0.75079666239471 32.065 > 1 4 S 0.65257236627570 0.58333333333333 0.75079666239471 32.065 > 1 5 S 0.15257236627570 0.91666666666667 0.75079666239471 32.065 > 1 6 S 0.65257236627570 0.91666666666667 0.75079666239471 32.065 > 1 7 S 0.34742763372430 0.08333333333333 0.24920333760529 32.065 > 7 8 S 0.84742763372430 0.08333333333333 0.24920333760529 32.065 > 7 9 S 0.34742763372430 0.41666666666667 0.24920333760529 32.065 > 7 10 S 0.84742763372430 0.41666666666667 0.24920333760529 32.065 > 7 11 S 0.34742763372430 0.75000000000000 0.24920333760529 32.065 > 7 12 S 0.84742763372430 0.75000000000000 0.24920333760529 32.065 > 7 13 S 0.20834767540312 0.25000000000000 0.09608858203021 32.065 > 13 14 S 0.70834767540312 0.25000000000000 0.09608858203021 32.065 > 13 15 S 0.20834767540312 0.58333333333333 0.09608858203021 32.065 > 13 16 S 0.70834767540312 0.58333333333333 0.09608858203021 32.065 > 13 17 S 0.20834767540312 0.91666666666667 0.09608858203021 32.065 > 13 18 S 0.70834767540312 0.91666666666667 0.09608858203021 32.065 > 13 19 S 0.29165232459688 0.08333333333333 0.90391141796979 32.065 > 19 20 S 0.79165232459688 0.08333333333333 0.90391141796979 32.065 > 19 21 S 0.29165232459688 0.41666666666667 0.90391141796979 32.065 > 19 22 S 0.79165232459688 0.41666666666667 0.90391141796979 32.065 > 19 23 S 0.29165232459688 0.75000000000000 0.90391141796979 32.065 > 19 24 S 0.79165232459688 0.75000000000000 0.90391141796979 32.065 > 19 25 S 0.30835377680958 0.25000000000000 0.46403775956518 32.065 > 25 26 S 0.80835377680958 0.25000000000000 0.46403775956518 32.065 > 25 27 S 0.30835377680958 0.58333333333333 0.46403775956518 32.065 > 25 28 S 0.80835377680958 0.58333333333333 0.46403775956518 32.065 > 25 29 S 0.30835377680958 0.91666666666667 0.46403775956518 32.065 > 25 30 S 0.80835377680958 0.91666666666667 0.46403775956518 32.065 > 25 31 S 0.19164622319042 0.08333333333333 0.53596224043482 32.065 > 31 32 S 0.69164622319042 0.08333333333333 0.53596224043482 32.065 > 31 33 S 0.19164622319042 0.41666666666667 0.53596224043482 32.065 > 31 34 S 0.69164622319042 0.41666666666667 0.53596224043482 32.065 > 31 35 S 0.19164622319042 0.75000000000000 0.53596224043482 32.065 > 31 36 S 0.69164622319042 0.75000000000000 0.53596224043482 32.065 > 31 37 S 0.49030445965045 0.25000000000000 0.61336262334478 32.065 > 37 38 S 0.99030445965045 0.25000000000000 0.61336262334478 32.065 > 37 39 S 0.49030445965045 0.58333333333333 0.61336262334478 32.065 > 37 40 S 0.99030445965045 0.58333333333333 0.61336262334478 32.065 > 37 41 S 0.49030445965045 0.91666666666667 0.61336262334478 32.065 > 37 42 S 0.99030445965045 0.91666666666667 0.61336262334478 32.065 > 37 43 S 0.00969554034955 0.08333333333333 0.38663737665522 32.065 > 43 44 S 0.50969554034955 0.08333333333333 0.38663737665522 32.065 > 43 45 S 0.00969554034955 0.41666666666667 0.38663737665522 32.065 > 43 46 S 0.50969554034955 0.41666666666667 0.38663737665522 32.065 > 43 47 S 0.00969554034955 0.75000000000000 0.38663737665522 32.065 > 43 48 S 0.50969554034955 0.75000000000000 0.38663737665522 32.065 > 43 49 S 0.05249874486196 0.08333333333333 0.94076604501860 32.065 > 49 50 S 0.55249874486196 0.08333333333333 0.94076604501860 32.065 > 49 51 S 0.05249874486196 0.41666666666667 0.94076604501860 32.065 > 49 52 S 0.55249874486196 0.41666666666667 0.94076604501860 32.065 > 49 53 S 0.05249874486196 0.75000000000000 0.94076604501860 32.065 > 49 54 S 0.55249874486196 0.75000000000000 0.94076604501860 32.065 > 49 55 S 0.44750125513804 0.25000000000000 0.05923395498140 32.065 > 55 56 S 0.94750125513804 0.25000000000000 0.05923395498140 32.065 > 55 57 S 0.44750125513804 0.58333333333333 0.05923395498140 32.065 > 55 58 S 0.94750125513804 0.58333333333333 0.05923395498140 32.065 > 55 59 S 0.44750125513804 0.91666666666667 0.05923395498140 32.065 > 55 60 S 0.94750125513804 0.91666666666667 0.05923395498140 32.065 > 55 61 S 0.38021902523928 0.08333333333333 0.72605982106229 32.065 > 61 62 S 0.88021902523928 0.08333333333333 0.72605982106229 32.065 > 61 63 S 0.38021902523928 0.41666666666667 0.72605982106229 32.065 > 61 64 S 0.88021902523928 0.41666666666667 0.72605982106229 32.065 > 61 65 S 0.38021902523928 0.75000000000000 0.72605982106229 32.065 > 61 66 S 0.88021902523928 0.75000000000000 0.72605982106229 32.065 > 61 67 S 0.11978097476072 0.25000000000000 0.27394017893771 32.065 > 67 68 S 0.61978097476072 0.25000000000000 0.27394017893771 32.065 > 67 69 S 0.11978097476072 0.58333333333333 0.27394017893771 32.065 > 67 70 S 0.61978097476072 0.58333333333333 0.27394017893771 32.065 > 67 71 S 0.11978097476072 0.91666666666667 0.27394017893771 32.065 > 67 72 S 0.61978097476072 0.91666666666667 0.27394017893771 32.065 > 67 73 Sm 0.27398115987842 0.25000000000000 0.69453802306488 150.360 > 73 74 Sm 0.77398115987842 0.25000000000000 0.69453802306488 150.360 > 73 75 Sm 0.27398115987842 0.58333333333333 0.69453802306488 150.360 > 73 76 Sm 0.77398115987842 0.58333333333333 0.69453802306488 150.360 > 73 77 Sm 0.27398115987842 0.91666666666667 0.69453802306488 150.360 > 73 78 Sm 0.77398115987842 0.91666666666667 0.69453802306488 150.360 > 73 79 Sm 0.22601884012158 0.08333333333333 0.30546197693512 150.360 > 79 80 Sm 0.72601884012158 0.08333333333333 0.30546197693512 150.360 > 79 81 Sm 0.22601884012158 0.41666666666667 0.30546197693512 150.360 > 79 82 Sm 0.72601884012158 0.41666666666667 0.30546197693512 150.360 > 79 83 Sm 0.22601884012158 0.75000000000000 0.30546197693512 150.360 > 79 84 Sm 0.72601884012158 0.75000000000000 0.30546197693512 150.360 > 79 85 Er 0.33017809116945 0.25000000000000 0.08515111956598 167.259 > 85 86 Er 0.83017809116945 0.25000000000000 0.08515111956598 167.259 > 85 87 Er 0.33017809116945 0.58333333333333 0.08515111956598 167.259 > 85 88 Er 0.83017809116945 0.58333333333333 0.08515111956598 167.259 > 85 89 Er 0.33017809116945 0.91666666666667 0.08515111956598 167.259 > 85 90 Er 0.83017809116945 0.91666666666667 0.08515111956598 167.259 > 85 91 Er 0.16982190883055 0.08333333333333 0.91484888043403 167.259 > 91 92 Er 0.66982190883055 0.08333333333333 0.91484888043403 167.259 > 91 93 Er 0.16982190883055 0.41666666666667 0.91484888043403 167.259 > 91 94 Er 0.66982190883055 0.41666666666667 0.91484888043403 167.259 > 91 95 Er 0.16982190883055 0.75000000000000 0.91484888043403 167.259 > 91 96 Er 0.66982190883055 0.75000000000000 0.91484888043403 167.259 > 91 97 Er 0.09043604587676 0.25000000000000 0.50208022180848 167.259 > 97 98 Er 0.59043604587676 0.25000000000000 0.50208022180848 167.259 > 97 99 Er 0.09043604587676 0.58333333333333 0.50208022180848 167.259 > 97 100 Er 0.59043604587676 0.58333333333333 0.50208022180848 167.259 > 97 101 Er 0.09043604587676 0.91666666666667 0.50208022180848 167.259 > 97 102 Er 0.59043604587676 0.91666666666667 0.50208022180848 167.259 > 97 103 Er 0.40956395412324 0.08333333333333 0.49791977819152 167.259 > 103 104 Er 0.90956395412324 0.08333333333333 0.49791977819152 167.259 > 103 105 Er 0.40956395412324 0.41666666666667 0.49791977819152 167.259 > 103 106 Er 0.90956395412324 0.41666666666667 0.49791977819152 167.259 > 103 107 Er 0.40956395412324 0.75000000000000 0.49791977819152 167.259 > 103 108 Er 0.90956395412324 0.75000000000000 0.49791977819152 167.259 > 103 109 Er 0.46909014692549 0.25000000000000 0.83223087138100 167.259 > 109 110 Er 0.96909014692549 0.25000000000000 0.83223087138100 167.259 > 109 111 Er 0.46909014692549 0.58333333333333 0.83223087138100 167.259 > 109 112 Er 0.96909014692549 0.58333333333333 0.83223087138100 167.259 > 109 113 Er 0.46909014692549 0.91666666666667 0.83223087138100 167.259 > 109 114 Er 0.96909014692549 0.91666666666667 0.83223087138100 167.259 > 109 115 Er 0.03090985307451 0.08333333333333 0.16776912861901 167.259 > 115 116 Er 0.53090985307451 0.08333333333333 0.16776912861901 167.259 > 115 117 Er 0.03090985307451 0.41666666666667 0.16776912861901 167.259 > 115 118 Er 0.53090985307451 0.41666666666667 0.16776912861901 167.259 > 115 119 Er 0.03090985307451 0.75000000000000 0.16776912861901 167.259 > 115 120 Er 0.53090985307451 0.75000000000000 0.16776912861901 167.259 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3150336 0.0000000 -0.0880452 0.0000000 7.7156685 0.0000000 -0.0880485 0.0000000 7.5930652 -------------------------- Born effective charges -------------------------- 1 S -1.8048395 0.0000000 0.1946720 0.0000000 -2.6197592 0.0000000 0.2520404 0.0000000 -3.3198186 2 S -1.8048395 0.0000000 0.1946720 0.0000000 -2.6197592 0.0000000 0.2520404 0.0000000 -3.3198186 3 S -1.8850622 0.0000000 0.2075999 0.0000000 -3.0270398 0.0000000 -0.0526589 0.0000000 -2.9874091 4 S -1.8850622 0.0000000 0.2075999 0.0000000 -3.0270398 0.0000000 -0.0526589 0.0000000 -2.9874091 5 S -2.2515650 0.0000000 -0.3500585 0.0000000 -2.9790542 0.0000000 -0.3866386 0.0000000 -2.2606206 6 S -2.2515650 0.0000000 -0.3500585 0.0000000 -2.9790542 0.0000000 -0.3866386 0.0000000 -2.2606206 7 S -2.5994484 0.0000000 0.4482139 0.0000000 -2.2380422 0.0000000 0.2640543 0.0000000 -2.6165120 8 S -2.5994484 0.0000000 0.4482139 0.0000000 -2.2380422 0.0000000 0.2640543 0.0000000 -2.6165120 9 S -3.2770580 0.0000000 -0.0713897 0.0000000 -2.4621000 0.0000000 -0.0555077 0.0000000 -2.5343302 10 S -3.2770580 0.0000000 -0.0713897 0.0000000 -2.4621000 0.0000000 -0.0555077 0.0000000 -2.5343302 11 S -2.7268443 0.0000000 -0.4634352 0.0000000 -3.1301813 0.0000000 -0.1933735 0.0000000 -2.0408715 12 S -2.7268443 0.0000000 -0.4634352 0.0000000 -3.1301813 0.0000000 -0.1933735 0.0000000 -2.0408715 13 Sm 3.5966956 0.0000000 -0.1497838 0.0000000 4.0426267 0.0000000 -0.3176971 0.0000000 3.7557942 14 Sm 3.5966956 0.0000000 -0.1497838 0.0000000 4.0426267 0.0000000 -0.3176971 0.0000000 3.7557942 15 Er 3.9395029 0.0000000 -0.2972260 0.0000000 4.4741132 0.0000000 -0.0953072 0.0000000 3.5691190 16 Er 3.9395029 0.0000000 -0.2972260 0.0000000 4.4741132 0.0000000 -0.0953072 0.0000000 3.5691190 17 Er 3.8894551 0.0000000 0.1067273 0.0000000 3.6014741 0.0000000 0.4864265 0.0000000 3.7503547 18 Er 3.8894551 0.0000000 0.1067273 0.0000000 3.6014741 0.0000000 0.4864265 0.0000000 3.7503547 19 Er 3.1191639 0.0000000 0.3746802 0.0000000 4.3379627 0.0000000 0.0986617 0.0000000 4.6842941 20 Er 3.1191639 0.0000000 0.3746802 0.0000000 4.3379627 0.0000000 0.0986617 0.0000000 4.6842941 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 13, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 37, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 61, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 85, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 109, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (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 00:15:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:15:53]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.823505351011461 0.000000000000000 0.000000000000000 b 0.000000000000000 3.884891960000000 0.000000000000000 c -3.598442787469850 0.000000000000000 10.524126006054301 Atomic positions (fractional): 1 S 0.30514473255139 0.75000000000000 0.75079666239471 32.065 2 S 0.69485526744861 0.25000000000000 0.24920333760529 32.065 3 S 0.41669535080624 0.75000000000000 0.09608858203021 32.065 4 S 0.58330464919376 0.25000000000000 0.90391141796979 32.065 5 S 0.61670755361916 0.75000000000000 0.46403775956518 32.065 6 S 0.38329244638084 0.25000000000000 0.53596224043482 32.065 7 S 0.98060891930090 0.75000000000000 0.61336262334478 32.065 8 S 0.01939108069910 0.25000000000000 0.38663737665522 32.065 9 S 0.10499748972392 0.25000000000000 0.94076604501860 32.065 10 S 0.89500251027608 0.75000000000000 0.05923395498140 32.065 11 S 0.76043805047857 0.25000000000000 0.72605982106229 32.065 12 S 0.23956194952143 0.75000000000000 0.27394017893771 32.065 13 Sm 0.54796231975684 0.75000000000000 0.69453802306488 150.360 14 Sm 0.45203768024316 0.25000000000000 0.30546197693512 150.360 15 Er 0.66035618233890 0.75000000000000 0.08515111956598 167.259 16 Er 0.33964381766110 0.25000000000000 0.91484888043403 167.259 17 Er 0.18087209175352 0.75000000000000 0.50208022180848 167.259 18 Er 0.81912790824648 0.25000000000000 0.49791977819152 167.259 19 Er 0.93818029385099 0.75000000000000 0.83223087138100 167.259 20 Er 0.06181970614901 0.25000000000000 0.16776912861901 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.647010702022921 0.000000000000000 0.000000000000000 b 0.000000000000000 11.654675879999999 0.000000000000000 c -3.598442787469850 0.000000000000000 10.524126006054301 Atomic positions (fractional): 1 S 0.15257236627570 0.25000000000000 0.75079666239471 32.065 > 1 2 S 0.65257236627570 0.25000000000000 0.75079666239471 32.065 > 1 3 S 0.15257236627570 0.58333333333333 0.75079666239471 32.065 > 1 4 S 0.65257236627570 0.58333333333333 0.75079666239471 32.065 > 1 5 S 0.15257236627570 0.91666666666667 0.75079666239471 32.065 > 1 6 S 0.65257236627570 0.91666666666667 0.75079666239471 32.065 > 1 7 S 0.34742763372430 0.08333333333333 0.24920333760529 32.065 > 7 8 S 0.84742763372430 0.08333333333333 0.24920333760529 32.065 > 7 9 S 0.34742763372430 0.41666666666667 0.24920333760529 32.065 > 7 10 S 0.84742763372430 0.41666666666667 0.24920333760529 32.065 > 7 11 S 0.34742763372430 0.75000000000000 0.24920333760529 32.065 > 7 12 S 0.84742763372430 0.75000000000000 0.24920333760529 32.065 > 7 13 S 0.20834767540312 0.25000000000000 0.09608858203021 32.065 > 13 14 S 0.70834767540312 0.25000000000000 0.09608858203021 32.065 > 13 15 S 0.20834767540312 0.58333333333333 0.09608858203021 32.065 > 13 16 S 0.70834767540312 0.58333333333333 0.09608858203021 32.065 > 13 17 S 0.20834767540312 0.91666666666667 0.09608858203021 32.065 > 13 18 S 0.70834767540312 0.91666666666667 0.09608858203021 32.065 > 13 19 S 0.29165232459688 0.08333333333333 0.90391141796979 32.065 > 19 20 S 0.79165232459688 0.08333333333333 0.90391141796979 32.065 > 19 21 S 0.29165232459688 0.41666666666667 0.90391141796979 32.065 > 19 22 S 0.79165232459688 0.41666666666667 0.90391141796979 32.065 > 19 23 S 0.29165232459688 0.75000000000000 0.90391141796979 32.065 > 19 24 S 0.79165232459688 0.75000000000000 0.90391141796979 32.065 > 19 25 S 0.30835377680958 0.25000000000000 0.46403775956518 32.065 > 25 26 S 0.80835377680958 0.25000000000000 0.46403775956518 32.065 > 25 27 S 0.30835377680958 0.58333333333333 0.46403775956518 32.065 > 25 28 S 0.80835377680958 0.58333333333333 0.46403775956518 32.065 > 25 29 S 0.30835377680958 0.91666666666667 0.46403775956518 32.065 > 25 30 S 0.80835377680958 0.91666666666667 0.46403775956518 32.065 > 25 31 S 0.19164622319042 0.08333333333333 0.53596224043482 32.065 > 31 32 S 0.69164622319042 0.08333333333333 0.53596224043482 32.065 > 31 33 S 0.19164622319042 0.41666666666667 0.53596224043482 32.065 > 31 34 S 0.69164622319042 0.41666666666667 0.53596224043482 32.065 > 31 35 S 0.19164622319042 0.75000000000000 0.53596224043482 32.065 > 31 36 S 0.69164622319042 0.75000000000000 0.53596224043482 32.065 > 31 37 S 0.49030445965045 0.25000000000000 0.61336262334478 32.065 > 37 38 S 0.99030445965045 0.25000000000000 0.61336262334478 32.065 > 37 39 S 0.49030445965045 0.58333333333333 0.61336262334478 32.065 > 37 40 S 0.99030445965045 0.58333333333333 0.61336262334478 32.065 > 37 41 S 0.49030445965045 0.91666666666667 0.61336262334478 32.065 > 37 42 S 0.99030445965045 0.91666666666667 0.61336262334478 32.065 > 37 43 S 0.00969554034955 0.08333333333333 0.38663737665522 32.065 > 43 44 S 0.50969554034955 0.08333333333333 0.38663737665522 32.065 > 43 45 S 0.00969554034955 0.41666666666667 0.38663737665522 32.065 > 43 46 S 0.50969554034955 0.41666666666667 0.38663737665522 32.065 > 43 47 S 0.00969554034955 0.75000000000000 0.38663737665522 32.065 > 43 48 S 0.50969554034955 0.75000000000000 0.38663737665522 32.065 > 43 49 S 0.05249874486196 0.08333333333333 0.94076604501860 32.065 > 49 50 S 0.55249874486196 0.08333333333333 0.94076604501860 32.065 > 49 51 S 0.05249874486196 0.41666666666667 0.94076604501860 32.065 > 49 52 S 0.55249874486196 0.41666666666667 0.94076604501860 32.065 > 49 53 S 0.05249874486196 0.75000000000000 0.94076604501860 32.065 > 49 54 S 0.55249874486196 0.75000000000000 0.94076604501860 32.065 > 49 55 S 0.44750125513804 0.25000000000000 0.05923395498140 32.065 > 55 56 S 0.94750125513804 0.25000000000000 0.05923395498140 32.065 > 55 57 S 0.44750125513804 0.58333333333333 0.05923395498140 32.065 > 55 58 S 0.94750125513804 0.58333333333333 0.05923395498140 32.065 > 55 59 S 0.44750125513804 0.91666666666667 0.05923395498140 32.065 > 55 60 S 0.94750125513804 0.91666666666667 0.05923395498140 32.065 > 55 61 S 0.38021902523928 0.08333333333333 0.72605982106229 32.065 > 61 62 S 0.88021902523928 0.08333333333333 0.72605982106229 32.065 > 61 63 S 0.38021902523928 0.41666666666667 0.72605982106229 32.065 > 61 64 S 0.88021902523928 0.41666666666667 0.72605982106229 32.065 > 61 65 S 0.38021902523928 0.75000000000000 0.72605982106229 32.065 > 61 66 S 0.88021902523928 0.75000000000000 0.72605982106229 32.065 > 61 67 S 0.11978097476072 0.25000000000000 0.27394017893771 32.065 > 67 68 S 0.61978097476072 0.25000000000000 0.27394017893771 32.065 > 67 69 S 0.11978097476072 0.58333333333333 0.27394017893771 32.065 > 67 70 S 0.61978097476072 0.58333333333333 0.27394017893771 32.065 > 67 71 S 0.11978097476072 0.91666666666667 0.27394017893771 32.065 > 67 72 S 0.61978097476072 0.91666666666667 0.27394017893771 32.065 > 67 73 Sm 0.27398115987842 0.25000000000000 0.69453802306488 150.360 > 73 74 Sm 0.77398115987842 0.25000000000000 0.69453802306488 150.360 > 73 75 Sm 0.27398115987842 0.58333333333333 0.69453802306488 150.360 > 73 76 Sm 0.77398115987842 0.58333333333333 0.69453802306488 150.360 > 73 77 Sm 0.27398115987842 0.91666666666667 0.69453802306488 150.360 > 73 78 Sm 0.77398115987842 0.91666666666667 0.69453802306488 150.360 > 73 79 Sm 0.22601884012158 0.08333333333333 0.30546197693512 150.360 > 79 80 Sm 0.72601884012158 0.08333333333333 0.30546197693512 150.360 > 79 81 Sm 0.22601884012158 0.41666666666667 0.30546197693512 150.360 > 79 82 Sm 0.72601884012158 0.41666666666667 0.30546197693512 150.360 > 79 83 Sm 0.22601884012158 0.75000000000000 0.30546197693512 150.360 > 79 84 Sm 0.72601884012158 0.75000000000000 0.30546197693512 150.360 > 79 85 Er 0.33017809116945 0.25000000000000 0.08515111956598 167.259 > 85 86 Er 0.83017809116945 0.25000000000000 0.08515111956598 167.259 > 85 87 Er 0.33017809116945 0.58333333333333 0.08515111956598 167.259 > 85 88 Er 0.83017809116945 0.58333333333333 0.08515111956598 167.259 > 85 89 Er 0.33017809116945 0.91666666666667 0.08515111956598 167.259 > 85 90 Er 0.83017809116945 0.91666666666667 0.08515111956598 167.259 > 85 91 Er 0.16982190883055 0.08333333333333 0.91484888043403 167.259 > 91 92 Er 0.66982190883055 0.08333333333333 0.91484888043403 167.259 > 91 93 Er 0.16982190883055 0.41666666666667 0.91484888043403 167.259 > 91 94 Er 0.66982190883055 0.41666666666667 0.91484888043403 167.259 > 91 95 Er 0.16982190883055 0.75000000000000 0.91484888043403 167.259 > 91 96 Er 0.66982190883055 0.75000000000000 0.91484888043403 167.259 > 91 97 Er 0.09043604587676 0.25000000000000 0.50208022180848 167.259 > 97 98 Er 0.59043604587676 0.25000000000000 0.50208022180848 167.259 > 97 99 Er 0.09043604587676 0.58333333333333 0.50208022180848 167.259 > 97 100 Er 0.59043604587676 0.58333333333333 0.50208022180848 167.259 > 97 101 Er 0.09043604587676 0.91666666666667 0.50208022180848 167.259 > 97 102 Er 0.59043604587676 0.91666666666667 0.50208022180848 167.259 > 97 103 Er 0.40956395412324 0.08333333333333 0.49791977819152 167.259 > 103 104 Er 0.90956395412324 0.08333333333333 0.49791977819152 167.259 > 103 105 Er 0.40956395412324 0.41666666666667 0.49791977819152 167.259 > 103 106 Er 0.90956395412324 0.41666666666667 0.49791977819152 167.259 > 103 107 Er 0.40956395412324 0.75000000000000 0.49791977819152 167.259 > 103 108 Er 0.90956395412324 0.75000000000000 0.49791977819152 167.259 > 103 109 Er 0.46909014692549 0.25000000000000 0.83223087138100 167.259 > 109 110 Er 0.96909014692549 0.25000000000000 0.83223087138100 167.259 > 109 111 Er 0.46909014692549 0.58333333333333 0.83223087138100 167.259 > 109 112 Er 0.96909014692549 0.58333333333333 0.83223087138100 167.259 > 109 113 Er 0.46909014692549 0.91666666666667 0.83223087138100 167.259 > 109 114 Er 0.96909014692549 0.91666666666667 0.83223087138100 167.259 > 109 115 Er 0.03090985307451 0.08333333333333 0.16776912861901 167.259 > 115 116 Er 0.53090985307451 0.08333333333333 0.16776912861901 167.259 > 115 117 Er 0.03090985307451 0.41666666666667 0.16776912861901 167.259 > 115 118 Er 0.53090985307451 0.41666666666667 0.16776912861901 167.259 > 115 119 Er 0.03090985307451 0.75000000000000 0.16776912861901 167.259 > 115 120 Er 0.53090985307451 0.75000000000000 0.16776912861901 167.259 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3150336 0.0000000 -0.0880452 0.0000000 7.7156685 0.0000000 -0.0880485 0.0000000 7.5930652 -------------------------- Born effective charges -------------------------- 1 S -1.8048395 0.0000000 0.1946720 0.0000000 -2.6197592 0.0000000 0.2520404 0.0000000 -3.3198186 2 S -1.8048395 0.0000000 0.1946720 0.0000000 -2.6197592 0.0000000 0.2520404 0.0000000 -3.3198186 3 S -1.8850622 0.0000000 0.2075999 0.0000000 -3.0270398 0.0000000 -0.0526589 0.0000000 -2.9874091 4 S -1.8850622 0.0000000 0.2075999 0.0000000 -3.0270398 0.0000000 -0.0526589 0.0000000 -2.9874091 5 S -2.2515650 0.0000000 -0.3500585 0.0000000 -2.9790542 0.0000000 -0.3866386 0.0000000 -2.2606206 6 S -2.2515650 0.0000000 -0.3500585 0.0000000 -2.9790542 0.0000000 -0.3866386 0.0000000 -2.2606206 7 S -2.5994484 0.0000000 0.4482139 0.0000000 -2.2380422 0.0000000 0.2640543 0.0000000 -2.6165120 8 S -2.5994484 0.0000000 0.4482139 0.0000000 -2.2380422 0.0000000 0.2640543 0.0000000 -2.6165120 9 S -3.2770580 0.0000000 -0.0713897 0.0000000 -2.4621000 0.0000000 -0.0555077 0.0000000 -2.5343302 10 S -3.2770580 0.0000000 -0.0713897 0.0000000 -2.4621000 0.0000000 -0.0555077 0.0000000 -2.5343302 11 S -2.7268443 0.0000000 -0.4634352 0.0000000 -3.1301813 0.0000000 -0.1933735 0.0000000 -2.0408715 12 S -2.7268443 0.0000000 -0.4634352 0.0000000 -3.1301813 0.0000000 -0.1933735 0.0000000 -2.0408715 13 Sm 3.5966956 0.0000000 -0.1497838 0.0000000 4.0426267 0.0000000 -0.3176971 0.0000000 3.7557942 14 Sm 3.5966956 0.0000000 -0.1497838 0.0000000 4.0426267 0.0000000 -0.3176971 0.0000000 3.7557942 15 Er 3.9395029 0.0000000 -0.2972260 0.0000000 4.4741132 0.0000000 -0.0953072 0.0000000 3.5691190 16 Er 3.9395029 0.0000000 -0.2972260 0.0000000 4.4741132 0.0000000 -0.0953072 0.0000000 3.5691190 17 Er 3.8894551 0.0000000 0.1067273 0.0000000 3.6014741 0.0000000 0.4864265 0.0000000 3.7503547 18 Er 3.8894551 0.0000000 0.1067273 0.0000000 3.6014741 0.0000000 0.4864265 0.0000000 3.7503547 19 Er 3.1191639 0.0000000 0.3746802 0.0000000 4.3379627 0.0000000 0.0986617 0.0000000 4.6842941 20 Er 3.1191639 0.0000000 0.3746802 0.0000000 4.3379627 0.0000000 0.0986617 0.0000000 4.6842941 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) 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 ... [ 5 13 5 ] 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: 0.54, Number of G-points: 293, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/91) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.204 ( 0.000 0.000 0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.884 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.786 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.156 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 6.942 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.087 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.869 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 9.214 ( 0.000 0.000 0.000) 0.000 9.254 ( 0.000 0.000 0.000) 0.000 10.062 ( 0.000 0.000 0.000) 0.000 10.109 ( 0.000 0.000 0.000) 0.000 10.436 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/91) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 17.379 0.000 8.578) 19.381 0.446 ( 20.465 0.000 9.719) 22.656 0.882 ( 42.064 0.000 12.799) 43.968 1.182 ( -2.058 0.000 -1.740) 2.695 1.612 ( -4.645 0.000 -10.995) 11.936 1.682 ( -10.944 0.000 -11.390) 15.796 1.690 ( 0.505 0.000 -6.862) 6.880 1.746 ( -4.744 0.000 4.602) 6.609 2.001 ( 0.472 0.000 0.580) 0.748 2.072 ( 0.975 0.000 0.825) 1.277 2.123 ( 3.563 0.000 7.749) 8.529 2.243 ( -9.224 0.000 13.068) 15.996 2.329 ( 1.134 0.000 0.215) 1.154 2.412 ( -0.955 0.000 -0.418) 1.042 2.414 ( 4.419 0.000 2.900) 5.285 2.734 ( -4.156 0.000 -2.941) 5.091 2.999 ( -10.591 0.000 -7.021) 12.707 3.198 ( -7.045 0.000 -17.989) 19.319 3.629 ( 4.871 0.000 1.354) 5.056 3.654 ( -1.814 0.000 14.333) 14.447 3.826 ( 7.868 0.000 -3.623) 8.662 3.914 ( 5.565 0.000 7.600) 9.420 4.025 ( 0.647 0.000 0.481) 0.806 4.485 ( -2.153 0.000 -3.517) 4.124 5.283 ( -1.855 0.000 0.191) 1.865 5.456 ( -1.731 0.000 -6.411) 6.640 5.713 ( -0.755 0.000 0.072) 0.759 5.807 ( 1.843 0.000 1.284) 2.247 5.893 ( -3.547 0.000 10.567) 11.146 6.033 ( 0.758 0.000 -2.716) 2.820 6.066 ( -3.836 0.000 -4.751) 6.107 6.154 ( -1.755 0.000 -2.478) 3.037 6.272 ( 4.056 0.000 4.595) 6.130 6.538 ( -1.882 0.000 -0.181) 1.891 6.555 ( -1.066 0.000 1.139) 1.560 6.579 ( -0.106 0.000 -0.814) 0.821 6.640 ( 1.405 0.000 -0.522) 1.499 6.652 ( -5.615 0.000 6.901) 8.897 6.861 ( -0.225 0.000 1.289) 1.309 6.892 ( 5.911 0.000 9.492) 11.183 6.892 ( -0.233 0.000 -1.066) 1.091 7.055 ( -0.274 0.000 2.837) 2.851 7.066 ( -0.582 0.000 -3.330) 3.381 7.318 ( 0.295 0.000 0.354) 0.461 7.318 ( -5.081 0.000 -4.485) 6.778 7.412 ( -0.438 0.000 -0.458) 0.634 7.436 ( 0.142 0.000 0.173) 0.223 7.622 ( 2.795 0.000 -6.101) 6.711 7.668 ( -0.297 0.000 0.986) 1.030 7.905 ( 3.427 0.000 3.262) 4.731 8.333 ( -0.813 0.000 0.165) 0.829 8.444 ( -0.691 0.000 -0.662) 0.957 8.612 ( -2.500 0.000 2.197) 3.328 8.883 ( 1.734 0.000 -2.040) 2.677 8.978 ( -3.109 0.000 12.175) 12.566 9.211 ( 0.768 0.000 -3.221) 3.311 9.581 ( 9.708 0.000 -27.850) 29.494 10.063 ( -0.107 0.000 0.589) 0.598 10.246 ( -6.008 0.000 19.037) 19.963 10.425 ( -1.179 0.000 0.353) 1.231 ======================= Grid point 2 (3/91) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 10.314 0.000 5.345) 11.616 0.866 ( 17.146 0.000 9.985) 19.842 1.102 ( -4.202 0.000 -2.696) 4.992 1.316 ( -13.914 0.000 -12.377) 18.622 1.581 ( 16.429 0.000 -1.022) 16.460 1.661 ( 1.848 0.000 -8.122) 8.330 1.690 ( -4.383 0.000 6.776) 8.070 1.774 ( 28.998 0.000 8.748) 30.288 1.926 ( -17.692 0.000 1.192) 17.732 2.007 ( 0.058 0.000 0.103) 0.118 2.100 ( 0.935 0.000 0.797) 1.229 2.220 ( 0.155 0.000 4.725) 4.727 2.348 ( 0.644 0.000 -0.051) 0.646 2.392 ( -0.743 0.000 -0.200) 0.769 2.427 ( -21.755 0.000 -7.485) 23.006 2.675 ( -1.833 0.000 2.616) 3.194 2.775 ( 1.421 0.000 10.359) 10.456 2.990 ( -3.389 0.000 -20.408) 20.688 3.701 ( -1.109 0.000 9.218) 9.285 3.708 ( 2.824 0.000 -3.357) 4.387 3.929 ( 4.073 0.000 -2.257) 4.656 4.008 ( 0.786 0.000 -1.740) 1.909 4.132 ( 7.180 0.000 13.602) 15.381 4.368 ( -6.419 0.000 -8.445) 10.607 5.281 ( 1.339 0.000 2.445) 2.787 5.360 ( -3.997 0.000 -4.599) 6.093 5.700 ( -0.447 0.000 0.005) 0.447 5.866 ( 2.964 0.000 2.462) 3.853 5.899 ( -0.686 0.000 3.290) 3.361 5.968 ( -3.604 0.000 -3.677) 5.148 6.023 ( -0.155 0.000 -1.875) 1.882 6.121 ( -0.621 0.000 -0.274) 0.679 6.372 ( 3.639 0.000 3.242) 4.874 6.481 ( -2.977 0.000 -1.780) 3.469 6.542 ( -0.740 0.000 0.638) 0.977 6.578 ( 0.098 0.000 -0.138) 0.169 6.611 ( -1.801 0.000 1.646) 2.440 6.660 ( 0.840 0.000 -0.328) 0.902 6.866 ( -0.347 0.000 1.785) 1.818 6.880 ( -0.001 0.000 -1.628) 1.628 7.004 ( -0.862 0.000 2.669) 2.805 7.060 ( 2.892 0.000 2.096) 3.572 7.088 ( 2.243 0.000 -0.331) 2.267 7.214 ( -3.490 0.000 -1.872) 3.961 7.325 ( 0.199 0.000 0.249) 0.319 7.403 ( -0.228 0.000 -0.264) 0.349 7.438 ( 0.027 0.000 0.056) 0.062 7.629 ( 0.176 0.000 -3.749) 3.754 7.644 ( -0.549 0.000 0.600) 0.813 8.019 ( 5.294 0.000 2.376) 5.803 8.258 ( -4.884 0.000 -1.887) 5.236 8.441 ( 0.242 0.000 0.048) 0.247 8.614 ( 0.862 0.000 0.524) 1.009 8.876 ( -0.633 0.000 -0.869) 1.075 9.006 ( -0.456 0.000 4.882) 4.903 9.204 ( 0.499 0.000 -2.152) 2.209 9.585 ( 2.283 0.000 -6.287) 6.689 10.065 ( -0.054 0.000 0.354) 0.358 10.256 ( -1.144 0.000 4.539) 4.681 10.406 ( -0.825 0.000 0.190) 0.847 ======================= Grid point 5 (4/91) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 0.000 20.790 0.000) 20.790 0.469 ( 0.000 23.685 0.000) 23.685 0.884 ( 0.000 43.779 0.000) 43.779 1.366 ( 0.000 15.029 0.000) 15.029 1.714 ( 0.000 1.276 0.000) 1.276 1.798 ( 0.000 -0.120 0.000) 0.120 1.828 ( 0.000 6.834 0.000) 6.834 1.881 ( 0.000 3.655 0.000) 3.655 2.071 ( 0.000 3.346 0.000) 3.346 2.122 ( 0.000 3.160 0.000) 3.160 2.164 ( 0.000 13.636 0.000) 13.636 2.250 ( 0.000 15.883 0.000) 15.883 2.360 ( 0.000 3.557 0.000) 3.557 2.444 ( 0.000 1.793 0.000) 1.793 2.503 ( 0.000 8.309 0.000) 8.309 2.892 ( 0.000 -0.642 0.000) 0.642 3.009 ( 0.000 -0.122 0.000) 0.122 3.377 ( 0.000 -1.575 0.000) 1.575 3.533 ( 0.000 1.515 0.000) 1.515 3.623 ( 0.000 0.702 0.000) 0.702 3.753 ( 0.000 -3.178 0.000) 3.178 3.796 ( 0.000 0.855 0.000) 0.855 3.995 ( 0.000 -1.723 0.000) 1.723 4.461 ( 0.000 -5.089 0.000) 5.089 5.299 ( 0.000 -0.748 0.000) 0.748 5.438 ( 0.000 -2.657 0.000) 2.657 5.617 ( 0.000 1.160 0.000) 1.160 5.844 ( 0.000 8.845 0.000) 8.845 5.968 ( 0.000 -3.692 0.000) 3.692 6.116 ( 0.000 -2.874 0.000) 2.874 6.230 ( 0.000 2.919 0.000) 2.919 6.253 ( 0.000 4.812 0.000) 4.812 6.421 ( 0.000 3.067 0.000) 3.067 6.528 ( 0.000 -2.555 0.000) 2.555 6.605 ( 0.000 1.982 0.000) 1.982 6.607 ( 0.000 2.080 0.000) 2.080 6.620 ( 0.000 5.024 0.000) 5.024 6.763 ( 0.000 1.337 0.000) 1.337 6.886 ( 0.000 -1.176 0.000) 1.176 6.888 ( 0.000 3.126 0.000) 3.126 6.965 ( 0.000 2.369 0.000) 2.369 7.067 ( 0.000 -1.512 0.000) 1.512 7.101 ( 0.000 2.928 0.000) 2.928 7.293 ( 0.000 -1.123 0.000) 1.123 7.323 ( 0.000 -0.640 0.000) 0.640 7.451 ( 0.000 2.220 0.000) 2.220 7.478 ( 0.000 6.173 0.000) 6.173 7.633 ( 0.000 0.445 0.000) 0.445 7.742 ( 0.000 6.845 0.000) 6.845 7.850 ( 0.000 -1.791 0.000) 1.791 8.420 ( 0.000 -3.078 0.000) 3.078 8.538 ( 0.000 4.368 0.000) 4.368 8.824 ( 0.000 -3.181 0.000) 3.181 8.844 ( 0.000 -3.563 0.000) 3.563 9.090 ( 0.000 -1.453 0.000) 1.453 9.200 ( 0.000 -1.358 0.000) 1.358 9.224 ( 0.000 -2.843 0.000) 2.843 10.025 ( 0.000 -3.659 0.000) 3.659 10.074 ( 0.000 -3.370 0.000) 3.370 10.379 ( 0.000 -5.622 0.000) 5.622 ======================= Grid point 6 (5/91) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 13.557 16.777 3.553) 21.860 0.707 ( 18.608 15.796 4.622) 24.843 1.152 ( 23.164 28.628 9.622) 38.062 1.349 ( -0.929 15.040 -0.789) 15.089 1.613 ( -4.263 0.870 -10.513) 11.378 1.659 ( -6.156 1.644 -8.601) 10.704 1.821 ( -2.886 8.610 5.029) 10.381 1.866 ( -2.643 10.905 -7.710) 13.615 2.052 ( -0.268 3.502 4.542) 5.741 2.107 ( -0.202 1.227 3.576) 3.786 2.242 ( -0.778 13.133 1.530) 13.244 2.283 ( -6.508 4.539 7.858) 11.167 2.387 ( 1.179 5.825 -0.725) 5.987 2.443 ( 5.829 2.938 4.246) 7.786 2.510 ( -0.214 9.899 2.174) 10.137 2.750 ( -4.349 1.719 -2.325) 5.223 3.005 ( -7.441 0.608 -8.378) 11.222 3.193 ( -7.975 -0.307 -14.946) 16.943 3.608 ( 3.854 -1.232 4.478) 6.035 3.656 ( -1.003 0.573 11.340) 11.399 3.798 ( 7.532 -2.580 -6.331) 10.172 3.895 ( 5.049 -1.546 7.613) 9.265 4.008 ( 0.859 -1.489 0.873) 1.928 4.434 ( -2.076 -5.065 -3.541) 6.519 5.269 ( -2.279 -0.755 0.699) 2.500 5.412 ( -2.364 -3.157 -3.000) 4.955 5.681 ( 3.990 -1.388 4.401) 6.101 5.835 ( -0.612 8.282 -0.498) 8.319 5.941 ( -2.669 -2.266 -0.146) 3.504 6.075 ( -2.653 -1.104 -1.431) 3.210 6.217 ( -0.836 5.480 -1.634) 5.779 6.281 ( -6.309 11.636 -5.821) 14.460 6.305 ( 2.498 3.130 3.620) 5.398 6.507 ( -2.725 -2.177 1.319) 3.729 6.603 ( -0.013 3.175 0.466) 3.210 6.617 ( -0.301 2.963 -0.459) 3.014 6.643 ( 1.602 2.357 0.492) 2.892 6.741 ( -4.092 4.706 1.936) 6.530 6.874 ( -1.229 2.714 1.147) 3.192 6.898 ( 1.395 0.241 -1.738) 2.241 6.934 ( 0.478 3.006 6.734) 7.390 7.039 ( -2.774 -1.914 1.015) 3.520 7.095 ( 0.247 3.757 0.358) 3.782 7.264 ( -2.423 -1.671 -0.329) 2.962 7.316 ( 0.755 -0.504 -3.179) 3.306 7.452 ( 0.053 2.196 0.106) 2.200 7.504 ( 0.288 7.147 -1.088) 7.235 7.633 ( 2.875 0.936 -5.878) 6.611 7.688 ( -3.196 1.517 0.096) 3.539 7.918 ( 4.363 1.469 3.117) 5.559 8.411 ( -3.788 0.469 -2.916) 4.803 8.467 ( 0.102 3.587 -0.954) 3.713 8.683 ( -9.830 5.336 1.782) 11.326 8.858 ( 1.398 -2.439 -1.689) 3.280 8.942 ( -3.474 -3.368 11.134) 12.140 9.192 ( 0.884 -1.783 -3.544) 4.064 9.472 ( 11.893 -8.082 -15.817) 21.376 10.023 ( -0.353 -3.858 1.070) 4.020 10.149 ( 0.425 -6.534 11.714) 13.419 10.362 ( -1.270 -5.831 -0.648) 6.003 ======================= Grid point 7 (6/91) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 15.173 10.907 4.508) 19.223 1.024 ( 10.928 18.668 8.784) 23.347 1.219 ( -6.606 12.287 -4.346) 14.612 1.356 ( -11.067 5.070 -11.380) 16.664 1.642 ( 8.687 3.850 -3.581) 10.154 1.776 ( 7.631 6.289 6.252) 11.699 1.784 ( 3.387 11.331 -1.968) 11.989 1.823 ( 11.352 8.995 2.930) 14.777 1.924 ( -13.767 3.214 2.476) 14.352 2.134 ( 1.367 6.342 3.415) 7.332 2.206 ( 1.723 7.632 -0.317) 7.830 2.242 ( -2.450 6.038 2.661) 7.039 2.391 ( -1.018 5.400 -1.674) 5.744 2.491 ( -3.990 8.699 0.915) 9.614 2.539 ( -9.703 10.959 -4.609) 15.345 2.681 ( -3.076 1.085 1.432) 3.562 2.793 ( 0.910 2.054 9.678) 9.936 2.994 ( -3.148 0.653 -18.810) 19.083 3.675 ( 0.025 -3.009 4.240) 5.199 3.710 ( 1.452 0.856 2.058) 2.660 3.885 ( 3.855 -3.848 -2.808) 6.128 3.986 ( 1.103 -2.062 -1.745) 2.918 4.109 ( 6.396 -2.131 13.035) 14.675 4.322 ( -5.955 -4.474 -8.365) 11.201 5.260 ( 0.811 -1.453 2.102) 2.681 5.327 ( -3.684 -2.582 -3.351) 5.610 5.778 ( 3.205 -3.120 2.912) 5.337 5.824 ( 0.341 5.840 -0.833) 5.909 5.879 ( -3.528 2.260 -0.380) 4.207 6.030 ( -1.248 1.416 -0.329) 1.916 6.187 ( -1.658 8.884 -0.127) 9.038 6.188 ( -0.479 9.577 -2.656) 9.950 6.375 ( 1.608 -0.873 2.216) 2.874 6.476 ( -0.805 0.696 0.852) 1.363 6.579 ( -1.169 3.753 -1.693) 4.280 6.615 ( -0.151 2.651 0.971) 2.827 6.674 ( 1.106 2.251 0.424) 2.543 6.691 ( -1.589 6.678 0.227) 6.868 6.857 ( -0.976 -0.142 0.527) 1.119 6.907 ( 0.845 2.518 -1.350) 2.979 6.967 ( -2.072 -3.128 2.586) 4.557 7.067 ( 4.895 0.595 1.410) 5.128 7.109 ( 0.341 2.406 0.828) 2.567 7.201 ( -3.471 -0.735 -0.513) 3.585 7.317 ( 0.528 -0.096 -1.089) 1.214 7.453 ( 0.018 2.354 0.024) 2.354 7.492 ( -0.309 7.171 -0.447) 7.191 7.623 ( -1.017 -0.570 -2.418) 2.684 7.665 ( 0.735 2.174 -0.796) 2.429 8.028 ( 4.525 0.823 2.221) 5.107 8.297 ( -4.717 3.366 -2.094) 6.161 8.499 ( 1.559 3.816 -0.516) 4.155 8.588 ( -2.207 -1.630 1.149) 2.975 8.846 ( -0.683 -2.928 -0.636) 3.073 8.973 ( -0.079 -3.301 4.180) 5.327 9.187 ( 0.458 -1.739 -1.934) 2.640 9.528 ( 2.734 -5.208 -4.998) 7.719 10.024 ( -0.138 -3.956 0.544) 3.995 10.203 ( 0.045 -4.963 4.326) 6.584 10.335 ( -0.893 -6.608 -0.586) 6.694 ======================= Grid point 10 (7/91) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 21.083 0.000) 21.083 0.934 ( 0.000 23.030 0.000) 23.030 1.668 ( 0.000 28.677 0.000) 28.677 1.721 ( 0.000 12.232 0.000) 12.232 1.810 ( 0.000 19.887 0.000) 19.887 1.810 ( 0.000 1.922 0.000) 1.922 1.966 ( 0.000 3.905 0.000) 3.905 1.978 ( 0.000 8.661 0.000) 8.661 2.190 ( 0.000 8.001 0.000) 8.001 2.232 ( 0.000 7.939 0.000) 7.939 2.405 ( 0.000 1.150 0.000) 1.150 2.468 ( 0.000 15.337 0.000) 15.337 2.532 ( 0.000 6.618 0.000) 6.618 2.555 ( 0.000 12.359 0.000) 12.359 2.805 ( 0.000 21.778 0.000) 21.778 2.868 ( 0.000 -1.084 0.000) 1.084 3.001 ( 0.000 -0.946 0.000) 0.946 3.339 ( 0.000 -1.602 0.000) 1.602 3.586 ( 0.000 3.345 0.000) 3.345 3.654 ( 0.000 2.341 0.000) 2.341 3.675 ( 0.000 -3.536 0.000) 3.536 3.827 ( 0.000 2.369 0.000) 2.369 3.958 ( 0.000 -1.649 0.000) 1.649 4.316 ( 0.000 -9.326 0.000) 9.326 5.282 ( 0.000 -0.884 0.000) 0.884 5.383 ( 0.000 -2.442 0.000) 2.442 5.657 ( 0.000 2.734 0.000) 2.734 5.866 ( 0.000 -3.212 0.000) 3.212 6.056 ( 0.000 -2.836 0.000) 2.836 6.085 ( 0.000 10.331 0.000) 10.331 6.269 ( 0.000 1.025 0.000) 1.025 6.332 ( 0.000 3.442 0.000) 3.442 6.475 ( 0.000 -2.542 0.000) 2.542 6.511 ( 0.000 5.187 0.000) 5.187 6.607 ( 0.000 -1.765 0.000) 1.765 6.668 ( 0.000 4.385 0.000) 4.385 6.735 ( 0.000 4.354 0.000) 4.354 6.784 ( 0.000 0.417 0.000) 0.417 6.869 ( 0.000 0.921 0.000) 0.921 6.975 ( 0.000 5.182 0.000) 5.182 7.039 ( 0.000 4.676 0.000) 4.676 7.049 ( 0.000 0.225 0.000) 0.225 7.193 ( 0.000 6.127 0.000) 6.127 7.296 ( 0.000 1.489 0.000) 1.489 7.312 ( 0.000 -0.612 0.000) 0.612 7.537 ( 0.000 6.657 0.000) 6.657 7.605 ( 0.000 5.274 0.000) 5.274 7.652 ( 0.000 1.566 0.000) 1.566 7.816 ( 0.000 -0.486 0.000) 0.486 7.900 ( 0.000 8.573 0.000) 8.573 8.333 ( 0.000 -5.621 0.000) 5.621 8.652 ( 0.000 6.810 0.000) 6.810 8.734 ( 0.000 -5.750 0.000) 5.750 8.743 ( 0.000 -6.295 0.000) 6.295 9.045 ( 0.000 -3.187 0.000) 3.187 9.154 ( 0.000 -3.853 0.000) 3.853 9.167 ( 0.000 -1.803 0.000) 1.803 9.926 ( 0.000 -5.980 0.000) 5.980 9.981 ( 0.000 -5.800 0.000) 5.800 10.227 ( 0.000 -9.317 0.000) 9.317 ======================= Grid point 11 (8/91) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 10.058 18.927 0.512) 21.440 1.013 ( 13.717 17.467 3.682) 22.512 1.635 ( -3.677 5.828 -8.878) 11.239 1.688 ( -4.665 14.083 -2.245) 15.004 1.729 ( 1.126 12.074 -3.118) 12.521 1.862 ( 5.533 29.306 1.958) 29.888 2.005 ( -1.378 8.348 7.270) 11.155 2.053 ( 4.579 5.294 2.416) 7.405 2.146 ( -2.665 6.901 -1.927) 7.645 2.172 ( -6.232 8.566 2.747) 10.943 2.386 ( -1.907 4.818 1.218) 5.323 2.500 ( -1.154 6.945 1.909) 7.295 2.516 ( -1.543 8.272 0.782) 8.450 2.590 ( 6.039 13.701 -0.411) 14.979 2.802 ( -3.169 3.935 -0.765) 5.110 2.818 ( -0.417 19.444 5.588) 20.235 3.014 ( 0.856 -0.044 -11.392) 11.424 3.207 ( -9.179 2.878 -5.958) 11.315 3.588 ( -0.779 -1.037 3.691) 3.913 3.684 ( 0.282 2.173 7.585) 7.895 3.734 ( 6.765 -3.010 -6.607) 9.924 3.872 ( 2.698 -0.260 5.369) 6.014 3.976 ( 1.396 -1.421 1.089) 2.270 4.291 ( -1.711 -9.041 -3.396) 9.808 5.257 ( -2.242 -0.544 0.560) 2.374 5.351 ( -2.881 -2.676 -1.475) 4.200 5.688 ( 2.066 1.609 2.627) 3.709 5.843 ( -1.828 -2.554 -0.749) 3.229 6.035 ( -1.453 -1.283 0.462) 1.993 6.096 ( 1.054 10.365 -1.791) 10.571 6.283 ( 1.137 1.164 -0.061) 1.629 6.344 ( -0.287 1.835 1.985) 2.718 6.461 ( 0.365 1.566 -2.072) 2.623 6.471 ( -3.727 4.141 1.419) 5.749 6.614 ( 0.788 -0.633 0.642) 1.197 6.676 ( 0.025 2.810 -1.515) 3.193 6.755 ( 1.182 4.610 1.497) 4.990 6.784 ( 0.395 2.065 -0.359) 2.133 6.887 ( 1.930 -0.210 -2.040) 2.816 6.957 ( -0.827 4.069 -1.526) 4.424 7.009 ( -4.093 3.501 5.616) 7.782 7.041 ( -0.537 3.535 1.142) 3.754 7.190 ( -0.775 5.411 0.250) 5.472 7.259 ( -2.186 1.000 0.020) 2.404 7.332 ( 0.969 1.794 -0.788) 2.186 7.530 ( -0.468 5.721 0.283) 5.747 7.634 ( 0.413 3.995 -1.148) 4.177 7.660 ( 3.391 1.844 -3.943) 5.518 7.733 ( -3.390 4.702 -1.920) 6.107 7.979 ( 3.924 4.800 2.723) 6.771 8.345 ( 1.149 -5.557 -0.661) 5.713 8.562 ( -3.925 4.684 -4.441) 7.554 8.715 ( -3.706 -2.998 0.476) 4.791 8.803 ( 0.916 -2.634 1.909) 3.380 8.870 ( -8.840 -2.726 7.869) 12.145 9.146 ( 1.336 -2.754 -4.799) 5.692 9.325 ( 9.237 -6.454 -5.590) 12.579 9.922 ( -0.536 -6.083 0.916) 6.175 10.019 ( 1.625 -6.827 4.758) 8.478 10.209 ( -1.538 -9.270 -0.751) 9.427 ======================= Grid point 12 (9/91) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 9.934 15.034 4.772) 18.641 1.336 ( 13.478 13.388 2.097) 19.113 1.449 ( -9.089 9.355 -6.814) 14.716 1.615 ( -2.987 16.237 -3.232) 16.823 1.733 ( 2.990 7.404 -3.361) 8.664 1.883 ( -8.169 4.322 1.047) 9.300 2.035 ( -1.484 9.539 10.156) 14.012 2.054 ( 0.288 12.616 -7.507) 14.684 2.130 ( 3.694 15.236 0.461) 15.685 2.219 ( 6.477 7.486 5.540) 11.343 2.345 ( -3.708 6.511 0.371) 7.502 2.459 ( -1.593 11.781 -0.347) 11.894 2.551 ( 4.182 8.819 2.571) 10.093 2.670 ( -0.938 9.334 0.636) 9.403 2.762 ( -1.445 10.324 -0.880) 10.462 2.838 ( -7.947 11.450 -6.918) 15.560 2.874 ( 1.162 8.494 8.429) 12.023 3.048 ( -1.906 7.790 -10.742) 13.405 3.600 ( -0.323 -4.301 2.211) 4.847 3.732 ( 0.604 0.776 3.283) 3.427 3.803 ( 3.322 -3.484 -3.048) 5.697 3.937 ( 1.276 -2.432 -0.478) 2.788 4.054 ( 4.135 -3.096 9.867) 11.138 4.201 ( -4.362 -7.317 -7.591) 11.410 5.236 ( -0.006 -0.946 1.237) 1.558 5.277 ( -3.113 -2.083 -1.843) 4.174 5.748 ( 2.280 -0.207 2.361) 3.289 5.800 ( -2.068 -1.582 -1.264) 2.894 6.021 ( -0.291 -0.787 0.112) 0.847 6.101 ( 0.425 11.951 -0.783) 11.984 6.293 ( 0.186 2.414 -0.259) 2.435 6.329 ( -1.621 -2.601 1.015) 3.229 6.405 ( -1.734 10.292 -0.743) 10.463 6.519 ( 3.272 1.956 2.436) 4.524 6.630 ( 0.383 0.110 -0.832) 0.923 6.648 ( -0.883 1.685 -1.907) 2.694 6.758 ( -2.253 0.203 1.698) 2.829 6.795 ( 1.289 8.302 -0.807) 8.440 6.888 ( -0.171 -2.756 -1.163) 2.996 6.942 ( 0.092 7.024 -1.195) 7.126 6.979 ( -2.050 3.877 3.497) 5.609 7.097 ( 5.372 2.384 1.138) 5.986 7.173 ( -0.696 2.875 -0.068) 2.959 7.202 ( -4.603 2.048 0.199) 5.042 7.338 ( 0.366 2.068 -0.652) 2.198 7.527 ( -0.099 5.265 0.288) 5.274 7.616 ( -1.066 0.788 -0.339) 1.369 7.648 ( -0.442 6.388 -1.985) 6.704 7.745 ( 2.506 6.826 -1.712) 7.470 8.051 ( 1.929 1.616 1.912) 3.160 8.343 ( -0.720 -1.022 -1.160) 1.705 8.507 ( 0.332 0.427 -1.784) 1.864 8.621 ( -4.801 2.682 1.473) 5.693 8.765 ( -1.314 -4.964 0.171) 5.138 8.885 ( 0.557 -5.063 2.728) 5.778 9.141 ( 0.429 -2.714 -1.719) 3.241 9.406 ( 2.820 -6.476 -2.719) 7.568 9.920 ( -0.212 -6.200 0.632) 6.236 10.078 ( 1.500 -7.279 3.243) 8.109 10.169 ( -1.616 -9.587 -1.312) 9.810 ======================= Grid point 15 (10/91) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.000 18.718 0.000) 18.718 1.370 ( 0.000 20.653 0.000) 20.653 1.823 ( 0.000 4.293 0.000) 4.293 1.876 ( 0.000 4.597 0.000) 4.597 2.041 ( 0.000 3.888 0.000) 3.888 2.074 ( 0.000 13.109 0.000) 13.109 2.078 ( 0.000 9.386 0.000) 9.386 2.294 ( 0.000 6.017 0.000) 6.017 2.343 ( 0.000 6.518 0.000) 6.518 2.440 ( 0.000 5.021 0.000) 5.021 2.519 ( 0.000 18.197 0.000) 18.197 2.690 ( 0.000 4.781 0.000) 4.781 2.706 ( 0.000 14.699 0.000) 14.699 2.717 ( 0.000 2.478 0.000) 2.478 2.906 ( 0.000 9.118 0.000) 9.118 2.955 ( 0.000 -3.389 0.000) 3.389 3.240 ( 0.000 15.598 0.000) 15.598 3.359 ( 0.000 4.792 0.000) 4.792 3.599 ( 0.000 3.914 0.000) 3.914 3.699 ( 0.000 1.229 0.000) 1.229 3.733 ( 0.000 7.035 0.000) 7.035 3.898 ( 0.000 4.812 0.000) 4.812 3.959 ( 0.000 2.831 0.000) 2.831 4.115 ( 0.000 -9.490 0.000) 9.490 5.268 ( 0.000 -0.511 0.000) 0.511 5.350 ( 0.000 -0.845 0.000) 0.845 5.718 ( 0.000 3.096 0.000) 3.096 5.818 ( 0.000 -1.441 0.000) 1.441 6.014 ( 0.000 -1.166 0.000) 1.166 6.228 ( 0.000 4.449 0.000) 4.449 6.283 ( 0.000 0.659 0.000) 0.659 6.403 ( 0.000 2.446 0.000) 2.446 6.438 ( 0.000 -0.247 0.000) 0.247 6.537 ( 0.000 -2.970 0.000) 2.970 6.613 ( 0.000 3.118 0.000) 3.118 6.760 ( 0.000 2.496 0.000) 2.496 6.773 ( 0.000 1.357 0.000) 1.357 6.787 ( 0.000 2.084 0.000) 2.084 6.943 ( 0.000 4.785 0.000) 4.785 7.047 ( 0.000 1.642 0.000) 1.642 7.097 ( 0.000 3.678 0.000) 3.678 7.119 ( 0.000 2.742 0.000) 2.742 7.299 ( 0.000 -0.397 0.000) 0.397 7.327 ( 0.000 6.353 0.000) 6.353 7.348 ( 0.000 4.282 0.000) 4.282 7.636 ( 0.000 -2.514 0.000) 2.514 7.683 ( 0.000 2.674 0.000) 2.674 7.699 ( 0.000 8.775 0.000) 8.775 7.894 ( 0.000 7.601 0.000) 7.601 8.060 ( 0.000 6.445 0.000) 6.445 8.208 ( 0.000 -5.938 0.000) 5.938 8.605 ( 0.000 -7.130 0.000) 7.130 8.608 ( 0.000 -6.609 0.000) 6.609 8.800 ( 0.000 7.746 0.000) 7.746 8.966 ( 0.000 -4.642 0.000) 4.642 9.087 ( 0.000 -2.569 0.000) 2.569 9.132 ( 0.000 -1.670 0.000) 1.670 9.798 ( 0.000 -6.773 0.000) 6.773 9.855 ( 0.000 -6.650 0.000) 6.650 10.029 ( 0.000 -10.208 0.000) 10.208 ======================= Grid point 16 (11/91) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 11.613 15.813 0.283) 19.621 1.402 ( 3.040 19.045 1.930) 19.382 1.746 ( -2.111 6.244 -6.987) 9.606 1.845 ( -3.384 7.210 -3.415) 8.666 2.051 ( 0.165 11.694 0.984) 11.736 2.065 ( -0.948 4.697 1.529) 5.030 2.161 ( -2.254 3.806 9.029) 10.054 2.201 ( -2.790 7.092 0.145) 7.623 2.364 ( 2.490 8.170 -8.270) 11.889 2.442 ( -1.985 7.091 1.900) 7.605 2.489 ( -0.031 8.631 0.073) 8.631 2.626 ( -4.733 9.626 3.851) 11.397 2.738 ( 1.091 16.458 4.462) 17.087 2.781 ( 5.410 0.539 -3.021) 6.219 2.916 ( 3.275 8.290 -5.585) 10.519 2.998 ( 1.958 2.055 0.624) 2.906 3.171 ( -6.439 11.620 4.666) 14.080 3.373 ( 0.976 11.703 -2.928) 12.103 3.568 ( -2.278 2.899 -0.418) 3.711 3.718 ( 1.901 1.784 -0.947) 2.774 3.740 ( 0.038 2.389 1.138) 2.647 3.908 ( 0.089 4.351 3.016) 5.295 3.979 ( 1.826 2.862 0.423) 3.421 4.103 ( -0.399 -8.376 -2.570) 8.770 5.247 ( -1.843 -0.323 0.125) 1.875 5.316 ( -3.059 -0.809 -0.667) 3.234 5.731 ( 0.772 2.389 1.436) 2.892 5.811 ( -0.417 -0.539 -0.578) 0.893 6.013 ( 0.011 -0.344 -0.021) 0.344 6.242 ( 1.168 3.828 -0.671) 4.058 6.293 ( 0.460 0.529 0.792) 1.057 6.397 ( -3.062 2.821 1.902) 4.577 6.433 ( 2.941 -0.413 -0.213) 2.977 6.566 ( 1.315 -1.042 0.106) 1.681 6.608 ( -0.231 3.399 0.738) 3.486 6.721 ( -1.897 1.577 -2.704) 3.661 6.785 ( 0.086 -0.365 0.553) 0.669 6.809 ( 1.128 1.683 0.576) 2.107 6.961 ( 1.828 4.863 -1.472) 5.400 7.020 ( -0.963 2.625 -0.994) 2.967 7.082 ( -1.437 4.353 2.140) 5.059 7.123 ( -0.059 2.870 0.854) 2.995 7.247 ( -2.823 0.432 -2.197) 3.603 7.340 ( -1.079 6.400 1.505) 6.662 7.376 ( 1.056 2.749 2.036) 3.580 7.632 ( -1.307 -0.669 1.213) 1.905 7.667 ( -0.022 5.152 1.014) 5.251 7.732 ( 4.007 5.830 -5.909) 9.218 7.884 ( 0.734 8.915 -1.914) 9.148 8.085 ( 0.600 4.156 2.732) 5.010 8.223 ( 1.694 -5.136 -0.285) 5.416 8.580 ( -0.532 -3.968 -4.514) 6.034 8.608 ( -0.890 -6.551 1.486) 6.776 8.806 ( -0.347 4.422 2.273) 4.984 8.833 ( -10.907 -1.929 4.954) 12.134 9.092 ( 1.897 -2.398 -6.032) 6.762 9.220 ( 5.775 -4.168 -0.378) 7.132 9.791 ( -0.495 -6.908 0.207) 6.929 9.880 ( 1.477 -7.025 2.215) 7.512 10.014 ( -1.346 -9.935 -0.498) 10.038 ======================= Grid point 17 (12/91) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 5.539 14.897 3.385) 16.249 1.576 ( 8.582 10.987 -1.546) 14.027 1.662 ( -0.173 11.805 -2.737) 12.119 1.821 ( 3.258 7.624 -0.851) 8.335 1.937 ( -8.801 9.422 -2.401) 13.114 1.967 ( -8.783 4.092 -0.478) 9.701 2.154 ( 0.744 4.905 3.228) 5.919 2.275 ( 1.285 7.577 6.231) 9.894 2.341 ( 1.462 9.380 -5.510) 10.976 2.403 ( -1.989 4.227 -0.929) 4.763 2.513 ( 1.316 9.972 -1.259) 10.137 2.580 ( -2.046 2.953 2.160) 4.191 2.813 ( 4.468 14.681 1.262) 15.398 2.855 ( 1.671 1.851 2.926) 3.844 2.924 ( -0.423 12.941 -4.107) 13.583 2.994 ( -0.863 2.747 0.655) 2.953 3.112 ( -2.048 17.970 0.613) 18.096 3.365 ( 0.155 14.029 -1.152) 14.077 3.533 ( -1.075 1.747 -0.155) 2.057 3.717 ( -0.948 -0.262 0.622) 1.164 3.770 ( 1.878 -2.217 -0.823) 3.020 3.929 ( 0.112 2.877 1.849) 3.422 4.022 ( 1.222 1.538 3.651) 4.146 4.069 ( -0.653 -4.444 -4.646) 6.463 5.220 ( -0.744 -0.528 0.103) 0.918 5.255 ( -2.245 -0.189 -0.477) 2.303 5.757 ( 0.810 0.894 1.365) 1.822 5.797 ( -0.547 1.295 -0.872) 1.654 6.015 ( 0.103 0.379 0.053) 0.396 6.258 ( 1.207 2.638 -0.704) 2.985 6.284 ( -1.579 -0.070 0.376) 1.625 6.372 ( -0.767 5.410 1.112) 5.576 6.521 ( 5.339 -1.008 1.656) 5.680 6.564 ( -0.556 4.150 -0.084) 4.188 6.622 ( 0.069 0.867 1.293) 1.558 6.661 ( -2.840 -0.675 -3.490) 4.550 6.755 ( -1.973 0.416 -0.459) 2.067 6.831 ( 0.636 -1.317 0.547) 1.562 6.974 ( 0.527 6.230 -0.933) 6.322 7.042 ( 3.050 3.647 -0.652) 4.799 7.080 ( -1.058 5.865 2.432) 6.437 7.133 ( 0.298 0.739 0.545) 0.965 7.203 ( 0.995 1.172 -1.507) 2.153 7.277 ( -5.525 3.017 0.622) 6.326 7.401 ( 0.418 4.805 0.625) 4.864 7.634 ( 0.550 2.664 1.618) 3.165 7.667 ( -0.448 6.445 -0.675) 6.496 7.756 ( 1.290 5.369 -2.265) 5.968 7.916 ( 3.170 8.827 -2.247) 9.645 8.092 ( -1.346 2.034 2.274) 3.334 8.256 ( 1.425 -4.940 -0.229) 5.146 8.539 ( -1.062 -0.355 -1.841) 2.155 8.599 ( -0.537 -5.655 0.345) 5.691 8.700 ( -4.459 -0.731 1.357) 4.718 8.815 ( -0.202 -0.187 1.445) 1.471 9.088 ( 0.453 -2.309 -1.716) 2.913 9.291 ( 2.254 -4.800 -0.912) 5.381 9.787 ( -0.187 -7.130 0.346) 7.140 9.927 ( 1.971 -7.777 1.981) 8.264 9.977 ( -1.991 -9.328 -1.148) 9.607 ======================= Grid point 20 (13/91) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.000 14.736 0.000) 14.736 1.739 ( 0.000 16.419 0.000) 16.419 1.902 ( 0.000 3.452 0.000) 3.452 1.983 ( 0.000 5.897 0.000) 5.897 2.118 ( 0.000 3.714 0.000) 3.714 2.176 ( 0.000 3.420 0.000) 3.420 2.301 ( 0.000 3.432 0.000) 3.432 2.332 ( 0.000 3.318 0.000) 3.318 2.425 ( 0.000 1.570 0.000) 1.570 2.536 ( 0.000 4.260 0.000) 4.260 2.632 ( 0.000 -4.095 0.000) 4.095 2.686 ( 0.000 3.544 0.000) 3.544 2.803 ( 0.000 -5.353 0.000) 5.353 2.809 ( 0.000 3.249 0.000) 3.249 3.048 ( 0.000 1.313 0.000) 1.313 3.143 ( 0.000 15.013 0.000) 15.013 3.355 ( 0.000 3.222 0.000) 3.222 3.485 ( 0.000 -0.793 0.000) 0.793 3.726 ( 0.000 9.597 0.000) 9.597 3.789 ( 0.000 6.870 0.000) 6.870 3.935 ( 0.000 -0.436 0.000) 0.436 3.953 ( 0.000 17.433 0.000) 17.433 4.096 ( 0.000 10.165 0.000) 10.165 4.098 ( 0.000 8.044 0.000) 8.044 5.264 ( 0.000 0.182 0.000) 0.182 5.345 ( 0.000 0.140 0.000) 0.140 5.768 ( 0.000 1.853 0.000) 1.853 5.811 ( 0.000 0.729 0.000) 0.729 6.024 ( 0.000 2.401 0.000) 2.401 6.297 ( 0.000 0.704 0.000) 0.704 6.307 ( 0.000 4.102 0.000) 4.102 6.399 ( 0.000 -0.831 0.000) 0.831 6.471 ( 0.000 1.674 0.000) 1.674 6.504 ( 0.000 0.387 0.000) 0.387 6.641 ( 0.000 -0.065 0.000) 0.065 6.744 ( 0.000 -1.917 0.000) 1.917 6.825 ( 0.000 3.410 0.000) 3.410 6.867 ( 0.000 2.961 0.000) 2.961 7.026 ( 0.000 3.772 0.000) 3.772 7.076 ( 0.000 1.678 0.000) 1.678 7.113 ( 0.000 -2.175 0.000) 2.175 7.133 ( 0.000 -1.428 0.000) 1.428 7.317 ( 0.000 2.018 0.000) 2.018 7.399 ( 0.000 2.286 0.000) 2.286 7.485 ( 0.000 7.519 0.000) 7.519 7.567 ( 0.000 -3.649 0.000) 3.649 7.750 ( 0.000 3.692 0.000) 3.692 7.841 ( 0.000 4.266 0.000) 4.266 8.009 ( 0.000 -7.625 0.000) 7.625 8.054 ( 0.000 7.668 0.000) 7.668 8.250 ( 0.000 6.998 0.000) 6.998 8.461 ( 0.000 -7.089 0.000) 7.089 8.503 ( 0.000 -3.611 0.000) 3.611 8.866 ( 0.000 -5.355 0.000) 5.355 8.951 ( 0.000 6.998 0.000) 6.998 9.062 ( 0.000 0.243 0.000) 0.243 9.101 ( 0.000 -1.392 0.000) 1.392 9.662 ( 0.000 -6.943 0.000) 6.943 9.730 ( 0.000 -5.713 0.000) 5.713 9.840 ( 0.000 -8.437 0.000) 8.437 ======================= Grid point 21 (14/91) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 7.309 12.691 -0.408) 14.651 1.743 ( 0.204 14.857 1.340) 14.919 1.873 ( -0.211 6.140 -3.532) 7.086 1.983 ( -0.856 6.426 -2.173) 6.837 2.102 ( -1.201 2.464 1.558) 3.153 2.193 ( -3.331 1.805 3.498) 5.157 2.289 ( -2.395 6.191 1.148) 6.737 2.305 ( -0.030 3.840 -1.283) 4.049 2.424 ( 1.416 -0.412 -1.057) 1.814 2.527 ( 1.306 2.163 -6.327) 6.813 2.593 ( -3.954 3.943 5.768) 8.028 2.727 ( 3.265 -2.590 -0.696) 4.225 2.748 ( -4.778 2.209 4.617) 7.002 2.888 ( 6.351 -3.689 -3.647) 8.200 3.088 ( 1.786 9.656 2.503) 10.134 3.176 ( 4.095 6.204 -2.026) 7.705 3.265 ( -5.732 1.142 0.333) 5.854 3.513 ( -1.750 3.725 0.317) 4.127 3.696 ( -0.853 2.425 1.794) 3.134 3.787 ( 1.321 10.003 -4.379) 10.999 3.898 ( -4.754 11.363 1.180) 12.373 3.975 ( 0.427 4.936 5.091) 7.104 4.110 ( 2.870 9.609 -3.989) 10.793 4.124 ( 1.962 11.239 0.354) 11.414 5.247 ( -1.439 0.382 -0.284) 1.516 5.314 ( -2.876 0.354 -0.245) 2.908 5.774 ( 0.333 1.868 0.604) 1.991 5.820 ( 0.898 1.236 -0.150) 1.536 6.033 ( 0.770 2.513 0.043) 2.628 6.294 ( -0.645 2.070 0.487) 2.222 6.316 ( 0.145 2.152 1.474) 2.613 6.409 ( 1.443 0.158 -0.093) 1.455 6.467 ( 0.163 1.913 0.947) 2.141 6.532 ( 2.228 -0.958 -1.191) 2.702 6.649 ( 0.423 -0.386 1.130) 1.267 6.726 ( -3.097 -0.638 2.587) 4.086 6.809 ( 0.481 2.984 -4.615) 5.517 6.850 ( -1.709 1.354 -1.392) 2.587 7.023 ( 0.727 1.905 -1.660) 2.629 7.074 ( 0.016 2.645 0.652) 2.724 7.125 ( -0.756 -1.066 3.751) 3.972 7.143 ( 2.278 -0.165 -1.497) 2.731 7.272 ( -2.416 2.552 -2.638) 4.394 7.401 ( -3.603 1.039 2.361) 4.432 7.481 ( 0.616 5.118 1.793) 5.458 7.606 ( 3.197 -0.137 1.349) 3.472 7.754 ( 0.254 2.830 0.173) 2.847 7.864 ( 3.364 6.004 -4.392) 8.164 8.015 ( 0.408 -6.509 1.328) 6.656 8.056 ( 1.575 7.249 -2.106) 7.711 8.267 ( 0.225 6.190 2.496) 6.678 8.461 ( 0.506 -6.859 -1.684) 7.081 8.490 ( -1.205 -4.727 -0.124) 4.880 8.779 ( -8.153 -3.464 3.772) 9.628 8.931 ( -1.619 6.900 -1.297) 7.205 9.062 ( 1.161 -0.329 -3.686) 3.879 9.157 ( 3.783 -2.288 1.507) 4.670 9.651 ( -0.691 -7.203 -0.437) 7.249 9.749 ( 1.244 -5.943 1.212) 6.192 9.833 ( -0.605 -7.932 -0.252) 7.959 ======================= Grid point 22 (15/91) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 3.842 9.860 -1.503) 10.688 1.786 ( 3.690 10.201 2.501) 11.132 1.872 ( 2.574 8.357 -1.051) 8.807 1.962 ( 0.896 6.650 -1.224) 6.821 2.043 ( -4.480 3.708 -0.968) 5.896 2.083 ( -7.748 6.915 -0.112) 10.385 2.261 ( -0.360 4.974 0.758) 5.045 2.322 ( -0.130 -1.482 2.494) 2.904 2.453 ( 1.646 3.294 -1.761) 4.082 2.523 ( 0.456 4.768 -0.337) 4.801 2.582 ( 1.410 2.045 -2.075) 3.237 2.688 ( -3.449 3.383 2.182) 5.301 2.782 ( 1.572 -3.931 1.986) 4.677 2.977 ( 3.419 -3.660 -0.184) 5.011 3.085 ( -1.370 6.814 -1.341) 7.078 3.189 ( -0.957 11.253 0.741) 11.318 3.283 ( 4.695 -5.427 -0.401) 7.187 3.426 ( -5.217 5.169 0.356) 7.353 3.716 ( 0.512 0.581 1.117) 1.359 3.786 ( 1.724 11.473 -6.328) 13.215 3.828 ( -3.648 10.939 5.279) 12.682 3.998 ( -0.034 4.348 1.350) 4.552 4.130 ( 0.857 12.425 -0.946) 12.490 4.163 ( 1.669 11.065 -0.501) 11.201 5.222 ( -0.756 0.723 -0.281) 1.083 5.262 ( -1.840 0.709 -0.068) 1.973 5.783 ( 0.192 1.746 0.490) 1.823 5.835 ( 0.639 2.122 -0.238) 2.229 6.044 ( 0.292 2.718 0.060) 2.735 6.285 ( -0.488 2.241 0.544) 2.357 6.314 ( -0.627 2.083 0.339) 2.201 6.455 ( 1.425 2.405 0.812) 2.911 6.496 ( 3.706 -0.998 0.418) 3.860 6.558 ( 0.936 -1.502 -0.220) 1.783 6.619 ( -4.748 -2.948 -0.807) 5.647 6.705 ( 0.005 4.203 2.593) 4.939 6.785 ( -0.551 2.212 -3.784) 4.418 6.811 ( -0.504 -0.835 -0.462) 1.079 7.045 ( 2.197 1.321 -1.687) 3.068 7.095 ( 0.329 2.031 1.565) 2.585 7.110 ( -1.362 -1.876 2.070) 3.108 7.200 ( 3.208 3.308 -1.248) 4.775 7.226 ( 0.074 2.425 -1.296) 2.751 7.308 ( -6.218 0.795 1.088) 6.362 7.509 ( 0.563 4.545 1.193) 4.732 7.671 ( 2.037 2.044 1.336) 3.180 7.758 ( 0.209 0.593 -0.309) 0.701 7.883 ( 0.869 7.204 -2.254) 7.598 8.030 ( 0.283 0.810 0.288) 0.905 8.112 ( 5.324 3.154 -2.227) 6.577 8.256 ( -3.416 4.186 2.702) 6.040 8.458 ( 0.300 -6.207 -1.494) 6.392 8.467 ( -1.068 -6.690 0.444) 6.789 8.680 ( -3.331 -1.796 1.310) 4.005 8.893 ( -1.340 6.441 -0.378) 6.590 9.060 ( 0.243 -0.376 -0.976) 1.074 9.219 ( 1.850 -2.660 0.062) 3.240 9.639 ( -0.352 -7.772 -0.071) 7.780 9.778 ( 0.942 -6.892 0.724) 6.993 9.818 ( -0.670 -6.496 -0.304) 6.538 ======================= Grid point 25 (16/91) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 9.902 0.000) 9.902 1.949 ( 0.000 1.155 0.000) 1.155 1.996 ( 0.000 7.931 0.000) 7.931 2.102 ( 0.000 6.491 0.000) 6.491 2.182 ( 0.000 3.179 0.000) 3.179 2.183 ( 0.000 -2.491 0.000) 2.491 2.318 ( 0.000 0.681 0.000) 0.681 2.384 ( 0.000 0.422 0.000) 0.422 2.442 ( 0.000 2.013 0.000) 2.013 2.576 ( 0.000 -1.032 0.000) 1.032 2.578 ( 0.000 -1.552 0.000) 1.552 2.686 ( 0.000 -1.507 0.000) 1.507 2.772 ( 0.000 1.560 0.000) 1.560 2.835 ( 0.000 -0.505 0.000) 0.505 2.992 ( 0.000 -4.184 0.000) 4.184 3.241 ( 0.000 -10.956 0.000) 10.956 3.375 ( 0.000 3.218 0.000) 3.218 3.437 ( 0.000 3.575 0.000) 3.575 3.899 ( 0.000 5.123 0.000) 5.123 3.944 ( 0.000 3.189 0.000) 3.189 4.102 ( 0.000 18.408 0.000) 18.408 4.274 ( 0.000 12.411 0.000) 12.411 4.279 ( 0.000 8.821 0.000) 8.821 4.305 ( 0.000 10.160 0.000) 10.160 5.275 ( 0.000 0.946 0.000) 0.946 5.346 ( 0.000 -0.318 0.000) 0.318 5.798 ( 0.000 1.506 0.000) 1.506 5.837 ( 0.000 1.453 0.000) 1.453 6.106 ( 0.000 5.651 0.000) 5.651 6.315 ( 0.000 1.402 0.000) 1.402 6.382 ( 0.000 -1.154 0.000) 1.154 6.391 ( 0.000 3.801 0.000) 3.801 6.502 ( 0.000 1.601 0.000) 1.601 6.553 ( 0.000 3.893 0.000) 3.893 6.629 ( 0.000 -0.720 0.000) 0.720 6.699 ( 0.000 -1.922 0.000) 1.922 6.872 ( 0.000 -2.438 0.000) 2.438 6.879 ( 0.000 1.498 0.000) 1.498 7.043 ( 0.000 -3.363 0.000) 3.363 7.065 ( 0.000 -5.018 0.000) 5.018 7.100 ( 0.000 3.608 0.000) 3.608 7.133 ( 0.000 3.347 0.000) 3.347 7.350 ( 0.000 1.050 0.000) 1.050 7.421 ( 0.000 0.025 0.000) 0.025 7.509 ( 0.000 -1.844 0.000) 1.844 7.628 ( 0.000 6.761 0.000) 6.761 7.767 ( 0.000 -9.129 0.000) 9.129 7.811 ( 0.000 1.996 0.000) 1.996 7.976 ( 0.000 2.940 0.000) 2.940 8.168 ( 0.000 2.677 0.000) 2.677 8.343 ( 0.000 -3.818 0.000) 3.818 8.371 ( 0.000 3.786 0.000) 3.786 8.473 ( 0.000 1.169 0.000) 1.169 8.759 ( 0.000 -5.394 0.000) 5.394 9.034 ( 0.000 1.446 0.000) 1.446 9.078 ( 0.000 -0.996 0.000) 0.996 9.130 ( 0.000 6.294 0.000) 6.294 9.524 ( 0.000 -6.951 0.000) 6.951 9.639 ( 0.000 -3.300 0.000) 3.300 9.703 ( 0.000 -5.342 0.000) 5.342 ======================= Grid point 26 (17/91) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 3.646 8.308 -0.533) 9.089 1.933 ( -0.969 3.340 -0.024) 3.478 1.999 ( 0.060 5.953 -0.217) 5.957 2.099 ( 0.506 5.776 -2.579) 6.345 2.160 ( -1.867 3.682 0.484) 4.157 2.200 ( 0.952 -1.476 1.198) 2.126 2.338 ( -2.395 1.498 1.191) 3.066 2.368 ( 0.095 1.270 -4.111) 4.303 2.418 ( -0.137 1.060 4.589) 4.711 2.522 ( 0.350 -1.046 -3.770) 3.928 2.653 ( -0.922 1.594 6.475) 6.732 2.683 ( -0.338 -3.987 4.946) 6.362 2.747 ( -1.504 0.449 -1.779) 2.372 2.846 ( 2.365 -1.107 -4.207) 4.952 3.045 ( 4.414 -6.623 -1.062) 8.029 3.161 ( -3.877 -8.156 -6.526) 11.142 3.371 ( -0.665 6.478 4.462) 7.894 3.508 ( 2.352 0.751 5.504) 6.033 3.817 ( -4.446 6.387 -3.809) 8.664 3.937 ( 0.314 2.649 -6.545) 7.068 4.105 ( -2.752 14.486 6.226) 16.006 4.201 ( -4.541 10.522 5.186) 12.579 4.336 ( 4.862 11.352 -2.281) 12.558 4.370 ( 4.526 11.854 -2.777) 12.989 5.263 ( -1.002 1.139 -0.363) 1.560 5.320 ( -2.338 0.116 -0.129) 2.344 5.807 ( 0.806 1.684 0.099) 1.870 5.849 ( 1.044 1.340 0.264) 1.719 6.113 ( 0.590 5.454 0.203) 5.490 6.327 ( 0.848 1.693 0.730) 2.029 6.379 ( -1.236 3.122 1.186) 3.561 6.409 ( 2.342 -0.485 0.148) 2.396 6.500 ( -0.108 1.570 0.432) 1.632 6.544 ( -0.568 1.856 -1.245) 2.306 6.611 ( -1.944 -2.165 0.862) 3.035 6.721 ( 1.012 0.349 2.133) 2.387 6.836 ( -2.018 -1.623 -2.497) 3.597 6.871 ( -0.269 1.553 -3.007) 3.395 7.021 ( -0.823 -2.601 -0.194) 2.735 7.059 ( -0.648 -3.910 0.746) 4.033 7.138 ( 1.094 2.981 -0.285) 3.188 7.156 ( 3.594 2.296 0.636) 4.312 7.317 ( -1.688 1.579 -1.945) 3.021 7.408 ( -3.806 -0.260 2.149) 4.379 7.503 ( 0.765 -1.260 0.501) 1.557 7.676 ( 2.925 5.113 2.371) 6.350 7.729 ( -1.557 -5.135 -0.331) 5.377 7.902 ( 7.155 -0.657 0.208) 7.189 7.987 ( 1.739 3.542 -1.716) 4.303 8.170 ( 1.175 2.826 -2.130) 3.729 8.328 ( -2.081 -3.262 1.476) 4.141 8.388 ( 1.390 1.376 -1.114) 2.251 8.437 ( -3.422 1.160 0.096) 3.615 8.701 ( -5.710 -4.236 2.373) 7.495 9.034 ( 1.358 2.441 -4.574) 5.359 9.096 ( -1.375 2.808 3.102) 4.404 9.131 ( 1.954 1.158 0.060) 2.272 9.508 ( -1.244 -7.202 -0.548) 7.330 9.653 ( 1.007 -3.512 0.513) 3.689 9.707 ( 0.386 -4.900 -0.124) 4.916 ======================= Grid point 27 (18/91) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 2.714 4.767 -0.811) 5.545 1.928 ( 0.029 3.423 0.917) 3.544 1.997 ( -0.030 4.489 0.014) 4.489 2.091 ( 0.275 6.412 -1.753) 6.653 2.125 ( -1.561 4.870 -0.416) 5.131 2.225 ( 1.477 3.708 0.088) 3.992 2.280 ( -3.786 1.754 1.668) 4.493 2.317 ( -1.018 0.332 -1.736) 2.040 2.502 ( 1.835 1.699 2.865) 3.803 2.534 ( 3.030 -1.471 -0.697) 3.440 2.630 ( -1.057 0.545 -0.695) 1.377 2.690 ( -2.840 -0.323 -1.878) 3.420 2.731 ( -0.842 -3.195 7.200) 7.922 2.878 ( 3.035 -5.015 -2.801) 6.496 3.069 ( -1.292 -5.927 -2.105) 6.422 3.083 ( -0.025 -8.852 -3.181) 9.406 3.428 ( 2.557 8.743 7.087) 11.541 3.524 ( -2.004 5.522 -2.613) 6.429 3.768 ( 0.186 3.309 2.755) 4.309 3.863 ( -2.429 0.634 -6.996) 7.432 4.099 ( -0.827 13.162 2.981) 13.521 4.173 ( -1.339 9.607 1.836) 9.872 4.402 ( 2.213 12.545 0.471) 12.747 4.414 ( 1.772 12.645 -2.148) 12.948 5.246 ( -0.389 1.487 -0.292) 1.565 5.278 ( -1.622 0.726 -0.026) 1.777 5.821 ( 0.433 1.982 0.121) 2.032 5.869 ( 0.708 1.134 0.106) 1.341 6.124 ( 0.324 5.305 0.121) 5.316 6.346 ( 0.807 3.013 0.440) 3.151 6.364 ( -1.115 3.150 0.781) 3.432 6.459 ( 2.971 -1.646 -0.293) 3.409 6.500 ( -0.265 0.854 0.063) 0.896 6.535 ( -0.408 -1.692 0.507) 1.813 6.566 ( -2.491 -0.602 0.005) 2.563 6.745 ( 0.339 -0.923 0.443) 1.079 6.793 ( -1.617 0.981 1.337) 2.317 6.846 ( 0.467 2.681 -4.071) 4.897 7.017 ( 0.320 -4.309 -0.259) 4.329 7.055 ( -0.480 -2.426 0.683) 2.565 7.154 ( 0.633 3.277 0.371) 3.358 7.233 ( 4.583 1.548 -1.025) 4.945 7.285 ( -0.731 2.027 -0.637) 2.247 7.324 ( -5.506 1.097 1.449) 5.798 7.532 ( 1.155 -1.762 0.488) 2.162 7.686 ( -1.116 -5.880 0.086) 5.985 7.755 ( 1.738 5.646 1.272) 6.043 8.009 ( 1.197 4.602 -0.762) 4.816 8.041 ( 6.161 1.375 0.263) 6.318 8.189 ( 2.471 2.841 -3.421) 5.088 8.282 ( -3.692 -3.843 2.062) 5.714 8.351 ( -3.357 -4.776 -0.272) 5.844 8.407 ( -0.316 3.391 0.014) 3.406 8.630 ( -2.334 -3.018 1.200) 4.000 9.026 ( 0.288 6.245 -2.211) 6.631 9.075 ( -1.264 2.120 1.391) 2.833 9.179 ( 1.726 -1.515 0.201) 2.306 9.483 ( -0.806 -7.840 -0.271) 7.886 9.670 ( 0.421 -3.780 0.181) 3.808 9.714 ( 0.301 -4.201 -0.019) 4.212 ======================= Grid point 30 (19/91) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.000 3.529 0.000) 3.529 1.954 ( 0.000 -0.378 0.000) 0.378 2.054 ( 0.000 1.568 0.000) 1.568 2.114 ( 0.000 -3.772 0.000) 3.772 2.236 ( 0.000 6.163 0.000) 6.163 2.269 ( 0.000 4.421 0.000) 4.421 2.318 ( 0.000 -0.979 0.000) 0.979 2.345 ( 0.000 -4.275 0.000) 4.275 2.531 ( 0.000 5.520 0.000) 5.520 2.552 ( 0.000 -0.311 0.000) 0.311 2.562 ( 0.000 0.598 0.000) 0.598 2.649 ( 0.000 -3.426 0.000) 3.426 2.797 ( 0.000 0.530 0.000) 0.530 2.808 ( 0.000 -1.337 0.000) 1.337 2.940 ( 0.000 -0.538 0.000) 0.538 3.010 ( 0.000 -8.660 0.000) 8.660 3.450 ( 0.000 2.716 0.000) 2.716 3.475 ( 0.000 0.249 0.000) 0.249 3.979 ( 0.000 2.463 0.000) 2.463 3.990 ( 0.000 1.244 0.000) 1.244 4.388 ( 0.000 9.246 0.000) 9.246 4.412 ( 0.000 3.969 0.000) 3.969 4.420 ( 0.000 3.305 0.000) 3.305 4.452 ( 0.000 2.756 0.000) 2.756 5.300 ( 0.000 1.480 0.000) 1.480 5.329 ( 0.000 -1.292 0.000) 1.292 5.831 ( 0.000 1.675 0.000) 1.675 5.852 ( 0.000 -0.163 0.000) 0.163 6.232 ( 0.000 6.518 0.000) 6.518 6.338 ( 0.000 -3.679 0.000) 3.679 6.357 ( 0.000 2.766 0.000) 2.766 6.413 ( 0.000 -2.002 0.000) 2.002 6.540 ( 0.000 2.401 0.000) 2.401 6.583 ( 0.000 -1.503 0.000) 1.503 6.668 ( 0.000 4.805 0.000) 4.805 6.714 ( 0.000 2.979 0.000) 2.979 6.797 ( 0.000 -3.529 0.000) 3.529 6.854 ( 0.000 -4.849 0.000) 4.849 6.982 ( 0.000 -1.520 0.000) 1.520 6.992 ( 0.000 -1.735 0.000) 1.735 7.164 ( 0.000 2.539 0.000) 2.539 7.184 ( 0.000 0.961 0.000) 0.961 7.371 ( 0.000 1.599 0.000) 1.599 7.406 ( 0.000 -1.450 0.000) 1.450 7.506 ( 0.000 1.816 0.000) 1.816 7.594 ( 0.000 -7.074 0.000) 7.074 7.750 ( 0.000 4.987 0.000) 4.987 7.817 ( 0.000 -1.534 0.000) 1.534 8.045 ( 0.000 3.958 0.000) 3.958 8.132 ( 0.000 -4.489 0.000) 4.489 8.342 ( 0.000 2.179 0.000) 2.179 8.381 ( 0.000 -1.389 0.000) 1.389 8.551 ( 0.000 5.180 0.000) 5.180 8.654 ( 0.000 -5.206 0.000) 5.206 9.051 ( 0.000 0.598 0.000) 0.598 9.062 ( 0.000 -0.609 0.000) 0.609 9.260 ( 0.000 6.569 0.000) 6.569 9.390 ( 0.000 -6.595 0.000) 6.595 9.603 ( 0.000 -0.283 0.000) 0.283 9.626 ( 0.000 -2.530 0.000) 2.530 ======================= Grid point 31 (20/91) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 1.031 2.763 -0.446) 2.983 1.957 ( 0.455 0.040 -0.557) 0.721 2.053 ( -0.077 1.886 -0.013) 1.888 2.114 ( 0.097 -3.668 -0.316) 3.683 2.225 ( -0.570 4.570 -0.881) 4.689 2.266 ( 0.161 3.685 -0.586) 3.734 2.335 ( -0.485 -0.854 0.602) 1.152 2.368 ( 3.756 -1.460 0.318) 4.042 2.497 ( -3.907 6.418 3.105) 8.129 2.532 ( -0.480 2.180 0.227) 2.243 2.588 ( -0.933 -4.296 6.308) 7.689 2.631 ( -2.031 -4.547 0.843) 5.051 2.776 ( -0.160 2.001 -5.143) 5.520 2.817 ( 1.325 -1.896 -4.915) 5.432 2.949 ( 0.870 -2.013 -0.296) 2.213 2.990 ( -0.586 -6.324 -2.756) 6.923 3.474 ( 1.051 3.665 5.328) 6.552 3.516 ( 2.078 -0.659 5.786) 6.183 3.923 ( -3.202 3.919 -5.397) 7.398 3.963 ( -1.591 -0.134 -5.902) 6.114 4.318 ( -4.862 6.019 5.135) 9.286 4.342 ( -4.706 3.352 4.323) 7.216 4.514 ( 6.106 5.692 -2.291) 8.656 4.534 ( 5.428 3.908 -2.494) 7.138 5.289 ( -0.928 1.403 -0.217) 1.696 5.313 ( -1.489 -0.869 -0.113) 1.728 5.841 ( 0.938 1.615 0.010) 1.868 5.862 ( 0.828 -0.223 0.168) 0.873 6.237 ( 0.361 6.645 0.433) 6.669 6.352 ( 1.272 -3.367 -0.448) 3.627 6.373 ( 1.264 1.266 1.113) 2.106 6.410 ( -0.373 -1.142 0.662) 1.371 6.528 ( -1.157 1.395 -0.022) 1.812 6.550 ( -2.683 -0.716 -0.072) 2.778 6.648 ( -1.741 4.941 0.144) 5.241 6.731 ( 0.018 -1.414 -0.782) 1.616 6.796 ( 0.448 0.265 1.488) 1.576 6.862 ( 0.661 -3.514 -0.130) 3.578 6.965 ( -1.047 -0.766 -0.776) 1.511 6.991 ( 0.451 -2.592 -1.205) 2.893 7.194 ( 2.761 2.173 -1.028) 3.661 7.205 ( 2.059 1.442 -0.099) 2.516 7.343 ( -1.886 1.595 -0.910) 2.632 7.386 ( -2.512 -2.105 1.084) 3.452 7.500 ( -0.461 1.886 0.527) 2.011 7.584 ( -1.150 -6.293 0.531) 6.420 7.802 ( 3.993 5.387 2.081) 7.021 7.881 ( 5.602 -2.350 1.470) 6.251 8.059 ( 2.329 3.665 -2.169) 4.855 8.138 ( 1.273 -4.204 -1.347) 4.594 8.325 ( -1.632 2.042 -1.421) 2.975 8.365 ( -1.790 -1.882 -1.448) 2.973 8.523 ( -2.886 4.918 1.667) 5.941 8.615 ( -4.057 -4.439 1.912) 6.311 9.065 ( 1.890 1.266 -1.431) 2.687 9.089 ( 2.165 -1.176 0.900) 2.623 9.238 ( -2.207 6.540 0.022) 6.902 9.369 ( -1.842 -6.791 -0.339) 7.045 9.615 ( 0.964 -0.380 0.079) 1.039 9.635 ( 0.882 -2.357 -0.078) 2.517 ======================= Grid point 32 (21/91) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.344 1.573 -0.195) 1.622 1.962 ( 0.335 0.492 -0.343) 0.687 2.052 ( -0.010 2.190 0.018) 2.190 2.114 ( 0.068 -3.600 -0.217) 3.607 2.209 ( -0.462 4.207 -0.570) 4.270 2.274 ( 0.759 -1.232 -0.161) 1.456 2.337 ( 0.748 6.737 -1.225) 6.888 2.398 ( -0.946 4.326 0.327) 4.440 2.505 ( 2.545 -0.424 1.558) 3.014 2.528 ( -0.920 1.160 3.326) 3.641 2.588 ( -0.869 -3.660 -0.456) 3.789 2.611 ( -2.306 -7.065 5.972) 9.534 2.727 ( -1.093 2.837 -4.336) 5.296 2.795 ( 0.425 -3.754 -4.960) 6.235 2.958 ( 0.156 -2.504 -0.082) 2.510 2.971 ( -0.102 -3.370 -1.140) 3.559 3.554 ( 2.792 4.164 6.224) 7.992 3.592 ( 1.445 0.578 3.095) 3.464 3.832 ( -2.082 2.908 -2.647) 4.449 3.868 ( -3.208 -0.548 -6.710) 7.458 4.287 ( -1.342 5.374 2.301) 5.998 4.307 ( -1.426 3.279 1.808) 4.007 4.587 ( 2.348 5.309 -0.362) 5.816 4.594 ( 2.072 4.666 -1.220) 5.249 5.273 ( -0.422 1.126 -0.161) 1.213 5.285 ( -1.057 -0.067 -0.060) 1.061 5.858 ( 0.570 1.560 0.021) 1.661 5.877 ( 0.537 -0.322 0.104) 0.635 6.246 ( 0.247 6.729 0.277) 6.739 6.368 ( 0.692 -3.647 -0.524) 3.749 6.406 ( 1.001 -0.554 1.089) 1.580 6.412 ( 0.111 0.703 0.468) 0.852 6.506 ( -0.901 -0.209 -0.089) 0.930 6.509 ( -1.331 -0.195 0.050) 1.346 6.619 ( -0.962 4.779 -0.210) 4.879 6.704 ( -1.183 -3.015 -0.677) 3.309 6.823 ( 0.367 1.794 1.838) 2.594 6.872 ( 0.569 -1.884 -0.527) 2.037 6.945 ( -0.348 0.139 -0.974) 1.044 6.997 ( 0.532 -3.356 -0.480) 3.432 7.219 ( 0.661 2.975 -0.366) 3.069 7.254 ( 2.658 -0.169 -0.936) 2.823 7.312 ( -0.761 1.573 -0.123) 1.752 7.342 ( -2.410 -0.303 0.908) 2.593 7.501 ( 0.186 0.321 0.159) 0.403 7.565 ( -0.981 -5.399 0.425) 5.504 7.880 ( 2.122 6.514 1.616) 7.038 7.995 ( 3.791 -4.365 1.615) 6.003 8.112 ( 4.875 3.772 -1.761) 6.411 8.177 ( 4.408 -2.995 -1.302) 5.486 8.254 ( -4.802 1.044 -1.297) 5.082 8.282 ( -5.860 -2.163 -0.871) 6.307 8.491 ( -1.308 4.131 1.180) 4.491 8.566 ( -1.752 -3.460 1.206) 4.062 9.097 ( 2.030 2.083 -0.865) 3.034 9.129 ( 0.881 -0.586 0.663) 1.248 9.196 ( -1.577 5.751 -0.006) 5.963 9.333 ( -1.405 -7.359 -0.233) 7.496 9.630 ( 0.475 -0.371 0.008) 0.603 9.650 ( 0.512 -2.222 -0.025) 2.280 ======================= Grid point 65 (22/91) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 4.431 0.000 22.815) 23.241 0.460 ( -0.301 0.000 23.355) 23.357 0.881 ( -3.296 0.000 45.476) 45.595 1.190 ( -0.572 0.000 -1.489) 1.596 1.544 ( -6.718 0.000 -17.386) 18.639 1.565 ( 0.152 0.000 -10.359) 10.360 1.678 ( -5.360 0.000 -12.058) 13.196 1.881 ( -1.908 0.000 5.666) 5.978 1.986 ( 1.625 0.000 -0.398) 1.673 2.057 ( 0.460 0.000 -0.502) 0.681 2.097 ( 7.226 0.000 5.073) 8.829 2.286 ( 0.934 0.000 -2.348) 2.527 2.303 ( 12.532 0.000 8.183) 14.968 2.432 ( 0.585 0.000 0.687) 0.902 2.443 ( -0.774 0.000 1.445) 1.640 2.753 ( -2.137 0.000 -11.973) 12.162 2.953 ( -11.598 0.000 -4.726) 12.524 3.209 ( 2.844 0.000 -25.178) 25.338 3.486 ( -4.837 0.000 -0.767) 4.897 3.580 ( 8.490 0.000 2.352) 8.810 3.871 ( 0.633 0.000 5.753) 5.788 3.897 ( 6.188 0.000 13.874) 15.191 4.175 ( -5.035 0.000 7.821) 9.301 4.458 ( -1.387 0.000 -5.532) 5.703 5.324 ( 0.052 0.000 1.726) 1.727 5.487 ( -4.365 0.000 -1.639) 4.663 5.714 ( 0.348 0.000 -0.596) 0.690 5.801 ( 0.592 0.000 1.527) 1.638 5.944 ( 0.716 0.000 -0.739) 1.028 6.054 ( 4.517 0.000 1.521) 4.766 6.075 ( -3.429 0.000 -4.641) 5.770 6.262 ( 3.288 0.000 4.745) 5.774 6.275 ( -11.100 0.000 0.595) 11.116 6.526 ( 4.598 0.000 -2.629) 5.297 6.549 ( 1.002 0.000 -0.171) 1.016 6.584 ( -2.163 0.000 -0.955) 2.364 6.626 ( -0.079 0.000 0.358) 0.366 6.674 ( 18.562 0.000 2.266) 18.700 6.795 ( 2.291 0.000 4.292) 4.865 6.848 ( 1.052 0.000 -0.739) 1.286 6.908 ( -0.774 0.000 0.670) 1.024 6.935 ( -2.437 0.000 -4.188) 4.845 7.154 ( 1.084 0.000 3.606) 3.766 7.315 ( 0.310 0.000 0.117) 0.332 7.376 ( -3.498 0.000 -2.401) 4.242 7.415 ( -0.384 0.000 -0.396) 0.551 7.435 ( 0.200 0.000 0.111) 0.229 7.501 ( -1.860 0.000 -6.894) 7.141 7.793 ( -4.532 0.000 7.681) 8.918 7.884 ( 3.817 0.000 1.758) 4.203 8.422 ( -3.595 0.000 -1.415) 3.864 8.459 ( -2.239 0.000 -0.450) 2.283 8.541 ( 10.449 0.000 -3.100) 10.899 8.810 ( 3.556 0.000 -1.584) 3.892 8.954 ( 1.921 0.000 1.567) 2.479 9.080 ( -2.980 0.000 -6.791) 7.416 9.525 ( -10.935 0.000 10.592) 15.224 10.050 ( 1.835 0.000 -1.374) 2.292 10.435 ( -1.065 0.000 0.059) 1.066 10.603 ( 0.378 0.000 -1.955) 1.991 ======================= Grid point 66 (23/91) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 7.635 0.000 17.674) 19.253 0.754 ( 12.671 0.000 18.662) 22.557 1.161 ( -2.321 0.000 0.069) 2.322 1.294 ( 2.522 0.000 3.086) 3.986 1.373 ( 5.821 0.000 3.355) 6.719 1.489 ( 0.413 0.000 -12.497) 12.504 1.566 ( 7.005 0.000 6.231) 9.376 1.853 ( -4.118 0.000 4.709) 6.255 2.005 ( 0.351 0.000 0.074) 0.359 2.079 ( 1.829 0.000 -0.221) 1.842 2.158 ( -2.994 0.000 -3.993) 4.991 2.274 ( -11.921 0.000 -3.665) 12.472 2.292 ( 1.302 0.000 -2.958) 3.232 2.435 ( -1.045 0.000 1.845) 2.120 2.547 ( 2.108 0.000 -0.203) 2.118 2.715 ( 7.236 0.000 -0.344) 7.244 2.796 ( -1.129 0.000 -5.790) 5.899 3.036 ( -16.171 0.000 -4.785) 16.864 3.308 ( 4.088 0.000 -21.124) 21.516 3.813 ( 10.075 0.000 4.114) 10.883 3.903 ( -2.277 0.000 7.201) 7.553 4.082 ( 1.158 0.000 10.765) 10.827 4.183 ( 3.286 0.000 8.092) 8.733 4.359 ( -4.733 0.000 -9.334) 10.465 5.318 ( -1.174 0.000 3.378) 3.577 5.400 ( -4.652 0.000 -1.903) 5.026 5.705 ( -0.651 0.000 -0.754) 0.996 5.844 ( 2.551 0.000 2.196) 3.366 5.947 ( 0.512 0.000 -1.248) 1.349 5.990 ( -3.054 0.000 -2.876) 4.195 6.041 ( -5.432 0.000 1.604) 5.664 6.158 ( -1.982 0.000 2.157) 2.929 6.350 ( 3.421 0.000 3.379) 4.808 6.508 ( -3.684 0.000 -2.704) 4.570 6.553 ( 0.297 0.000 -0.811) 0.864 6.579 ( 0.855 0.000 0.621) 1.057 6.639 ( 1.084 0.000 0.396) 1.154 6.738 ( -6.568 0.000 2.388) 6.989 6.858 ( 0.441 0.000 -1.159) 1.240 6.871 ( 4.943 0.000 -7.034) 8.597 6.897 ( -0.755 0.000 1.160) 1.384 6.968 ( 6.146 0.000 -0.733) 6.190 7.199 ( -1.734 0.000 4.572) 4.889 7.265 ( -4.944 0.000 -1.487) 5.163 7.321 ( 0.266 0.000 -0.058) 0.272 7.406 ( -0.297 0.000 -0.143) 0.330 7.438 ( 0.077 0.000 -0.019) 0.079 7.492 ( 4.853 0.000 -5.650) 7.448 7.724 ( -4.910 0.000 3.249) 5.888 7.992 ( 4.398 0.000 5.583) 7.108 8.343 ( -4.488 0.000 0.396) 4.506 8.443 ( 0.257 0.000 -0.394) 0.470 8.615 ( 0.877 0.000 -1.634) 1.855 8.842 ( 0.987 0.000 -2.805) 2.974 8.979 ( 3.007 0.000 -8.892) 9.387 9.130 ( 6.488 0.000 -0.574) 6.513 9.501 ( -0.620 0.000 10.091) 10.110 10.067 ( 0.797 0.000 -1.144) 1.395 10.371 ( -5.700 0.000 0.337) 5.710 10.505 ( -5.501 0.000 3.313) 6.422 ======================= Grid point 67 (24/91) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -1.660 0.000 8.019) 8.189 1.076 ( -10.815 0.000 0.239) 10.818 1.122 ( -1.341 0.000 5.243) 5.411 1.141 ( 14.386 0.000 6.860) 15.938 1.460 ( 5.453 0.000 -12.104) 13.275 1.527 ( 14.396 0.000 -4.930) 15.216 1.810 ( -3.326 0.000 4.943) 5.958 1.874 ( -12.454 0.000 -2.574) 12.717 2.006 ( -0.099 0.000 -0.281) 0.298 2.093 ( 8.557 0.000 4.838) 9.830 2.095 ( 0.047 0.000 -1.301) 1.302 2.198 ( 13.231 0.000 10.631) 16.973 2.298 ( 1.493 0.000 -2.967) 3.322 2.365 ( -27.752 0.000 1.229) 27.779 2.431 ( -0.869 0.000 2.287) 2.446 2.533 ( -7.181 0.000 -17.743) 19.141 2.801 ( 0.853 0.000 5.144) 5.215 3.053 ( 11.366 0.000 8.581) 14.241 3.310 ( 8.399 0.000 -23.226) 24.698 3.856 ( -6.130 0.000 3.279) 6.952 3.978 ( 4.193 0.000 4.569) 6.201 4.078 ( -5.211 0.000 -4.483) 6.874 4.182 ( -6.160 0.000 -2.434) 6.623 4.356 ( 6.366 0.000 9.659) 11.568 5.303 ( -3.894 0.000 -1.875) 4.322 5.359 ( 3.004 0.000 5.559) 6.318 5.690 ( -0.191 0.000 -0.895) 0.915 5.880 ( -0.970 0.000 -1.852) 2.091 5.905 ( -4.755 0.000 -2.315) 5.288 5.963 ( 1.831 0.000 3.883) 4.294 5.998 ( 1.685 0.000 -0.324) 1.715 6.158 ( -0.693 0.000 3.576) 3.643 6.409 ( -4.535 0.000 -3.287) 5.601 6.431 ( 3.503 0.000 0.753) 3.583 6.532 ( -1.324 0.000 -1.329) 1.876 6.591 ( -0.054 0.000 1.210) 1.211 6.647 ( -4.341 0.000 1.330) 4.540 6.665 ( 1.068 0.000 0.754) 1.307 6.846 ( -0.481 0.000 -1.709) 1.775 6.872 ( 2.079 0.000 -9.120) 9.354 6.900 ( -0.032 0.000 1.553) 1.554 7.044 ( 1.187 0.000 -2.212) 2.510 7.155 ( -3.926 0.000 -3.223) 5.079 7.217 ( 0.794 0.000 5.466) 5.523 7.321 ( -0.036 0.000 -0.599) 0.600 7.405 ( 0.085 0.000 0.405) 0.414 7.437 ( -0.021 0.000 -0.144) 0.146 7.578 ( 5.062 0.000 -0.447) 5.082 7.679 ( -1.480 0.000 2.325) 2.756 8.094 ( 1.281 0.000 4.638) 4.811 8.261 ( -3.323 0.000 2.254) 4.015 8.453 ( 0.428 0.000 0.412) 0.594 8.620 ( 0.101 0.000 0.031) 0.105 8.823 ( 0.712 0.000 -6.526) 6.564 8.973 ( -0.192 0.000 -1.903) 1.912 9.205 ( 2.385 0.000 -0.875) 2.541 9.590 ( 4.348 0.000 5.725) 7.189 10.065 ( 0.075 0.000 -2.180) 2.181 10.270 ( -5.130 0.000 0.641) 5.170 10.448 ( -2.888 0.000 2.110) 3.576 ======================= Grid point 68 (25/91) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -14.771 0.000 5.895) 15.904 0.775 ( -18.031 0.000 1.554) 18.098 1.177 ( 1.615 0.000 3.550) 3.900 1.516 ( 14.399 0.000 9.091) 17.029 1.527 ( 7.754 0.000 -8.580) 11.565 1.680 ( -19.991 0.000 10.612) 22.633 1.719 ( -19.521 0.000 -0.160) 19.522 1.806 ( -0.767 0.000 6.069) 6.117 1.821 ( 14.917 0.000 -10.631) 18.318 1.996 ( -0.509 0.000 -1.442) 1.529 2.044 ( -1.573 0.000 -10.008) 10.131 2.072 ( -0.890 0.000 -1.658) 1.882 2.305 ( 0.801 0.000 -2.603) 2.724 2.349 ( -0.092 0.000 -11.548) 11.548 2.433 ( -0.373 0.000 2.256) 2.286 2.765 ( 18.434 0.000 15.005) 23.769 2.834 ( 0.084 0.000 9.451) 9.452 3.279 ( 9.319 0.000 -15.693) 18.251 3.348 ( 8.821 0.000 2.323) 9.122 3.695 ( -11.233 0.000 -4.320) 12.035 3.826 ( -9.284 0.000 -14.557) 17.266 4.030 ( -2.868 0.000 5.016) 5.778 4.170 ( -0.595 0.000 8.089) 8.111 4.489 ( 2.181 0.000 4.968) 5.425 5.257 ( 0.087 0.000 -0.406) 0.415 5.494 ( 6.006 0.000 9.058) 10.868 5.690 ( 0.746 0.000 -0.927) 1.190 5.785 ( -4.018 0.000 -7.944) 8.902 5.832 ( -2.114 0.000 -1.031) 2.351 6.048 ( 2.172 0.000 0.643) 2.265 6.058 ( 3.998 0.000 5.509) 6.807 6.181 ( 0.825 0.000 5.510) 5.571 6.294 ( -4.747 0.000 -5.006) 6.899 6.493 ( 2.716 0.000 -0.038) 2.716 6.504 ( -0.209 0.000 -2.939) 2.946 6.591 ( -2.266 0.000 -0.959) 2.460 6.595 ( -0.288 0.000 1.308) 1.339 6.675 ( -0.802 0.000 1.034) 1.308 6.831 ( 0.247 0.000 -1.714) 1.732 6.846 ( 0.807 0.000 -9.108) 9.144 6.910 ( -0.034 0.000 1.310) 1.311 6.956 ( -5.317 0.000 -4.507) 6.970 7.124 ( 1.506 0.000 -0.167) 1.515 7.304 ( 3.756 0.000 4.960) 6.222 7.315 ( -0.117 0.000 -0.667) 0.678 7.412 ( 0.291 0.000 0.550) 0.622 7.435 ( -0.074 0.000 -0.245) 0.256 7.638 ( 0.826 0.000 0.606) 1.024 7.700 ( 1.832 0.000 2.261) 2.910 8.023 ( -8.872 0.000 2.790) 9.300 8.323 ( 4.859 0.000 4.366) 6.532 8.460 ( -0.258 0.000 1.369) 1.393 8.600 ( -2.047 0.000 -0.890) 2.232 8.797 ( 1.767 0.000 -9.269) 9.436 8.951 ( -2.121 0.000 2.811) 3.521 9.220 ( 0.438 0.000 -2.093) 2.139 9.722 ( 5.831 0.000 4.272) 7.228 10.038 ( -0.489 0.000 -5.540) 5.562 10.203 ( -3.035 0.000 5.721) 6.476 10.426 ( -0.505 0.000 0.920) 1.050 ======================= Grid point 69 (26/91) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -17.499 0.000 11.650) 21.022 0.484 ( -14.820 0.000 15.218) 21.242 1.055 ( -36.301 0.000 26.743) 45.089 1.201 ( 0.181 0.000 -0.352) 0.396 1.589 ( 3.920 0.000 -8.200) 9.088 1.721 ( 0.249 0.000 -4.478) 4.485 1.769 ( 4.518 0.000 -10.130) 11.092 1.850 ( 0.584 0.000 6.495) 6.522 1.969 ( 6.509 0.000 -2.391) 6.934 1.975 ( 0.046 0.000 -2.045) 2.045 2.002 ( 8.205 0.000 0.044) 8.205 2.057 ( -0.048 0.000 -0.459) 0.461 2.294 ( 0.035 0.000 -2.463) 2.464 2.389 ( 6.320 0.000 -2.853) 6.934 2.442 ( -0.217 0.000 1.757) 1.770 2.803 ( -2.336 0.000 3.056) 3.847 3.108 ( 3.112 0.000 3.802) 4.913 3.331 ( 8.686 0.000 -17.877) 19.876 3.398 ( -2.189 0.000 -17.517) 17.654 3.565 ( -4.677 0.000 15.401) 16.095 3.676 ( 6.353 0.000 -2.417) 6.797 3.954 ( -8.053 0.000 4.861) 9.406 4.204 ( -2.500 0.000 8.611) 8.967 4.501 ( -1.193 0.000 -1.094) 1.619 5.288 ( 2.254 0.000 0.663) 2.350 5.602 ( -2.844 0.000 -4.576) 5.387 5.703 ( 1.115 0.000 -0.818) 1.383 5.758 ( 8.674 0.000 9.090) 12.565 5.800 ( -1.056 0.000 0.524) 1.179 6.042 ( -2.075 0.000 -2.362) 3.144 6.165 ( 3.743 0.000 5.327) 6.510 6.177 ( -4.250 0.000 -5.068) 6.614 6.289 ( 6.442 0.000 9.617) 11.575 6.459 ( -3.958 0.000 -5.083) 6.442 6.529 ( 1.576 0.000 -0.854) 1.792 6.544 ( -0.684 0.000 -1.794) 1.920 6.600 ( -0.134 0.000 1.146) 1.154 6.651 ( -2.104 0.000 0.340) 2.131 6.770 ( -2.122 0.000 -1.630) 2.676 6.834 ( 0.987 0.000 -1.208) 1.560 6.914 ( -0.339 0.000 0.923) 0.983 6.925 ( 3.597 0.000 -3.747) 5.194 7.155 ( 0.411 0.000 1.270) 1.335 7.311 ( 0.075 0.000 -0.252) 0.263 7.391 ( 2.487 0.000 0.917) 2.651 7.419 ( 0.127 0.000 0.153) 0.198 7.432 ( -0.043 0.000 -0.158) 0.164 7.606 ( -3.293 0.000 -3.808) 5.034 7.760 ( 2.015 0.000 4.376) 4.818 7.886 ( -6.134 0.000 3.051) 6.851 8.406 ( 0.544 0.000 5.355) 5.383 8.463 ( 0.112 0.000 0.495) 0.507 8.546 ( -2.502 0.000 -3.547) 4.341 8.775 ( 2.153 0.000 -6.668) 7.007 8.941 ( -1.364 0.000 3.823) 4.059 9.190 ( -1.562 0.000 -5.793) 6.000 9.741 ( -6.800 0.000 -7.102) 9.833 10.018 ( 2.480 0.000 -2.380) 3.437 10.330 ( 11.439 0.000 17.322) 20.758 10.435 ( 0.684 0.000 0.841) 1.084 ======================= Grid point 70 (27/91) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 5.690 13.519 15.397) 21.265 0.635 ( -3.944 14.676 17.292) 23.021 1.241 ( -1.589 29.036 28.524) 40.734 1.357 ( -0.384 15.353 -1.039) 15.393 1.551 ( -6.555 1.854 -14.785) 16.279 1.609 ( -1.055 3.762 -9.144) 9.944 1.757 ( -2.095 7.892 -10.852) 13.581 1.953 ( -0.031 5.499 5.219) 7.581 2.041 ( 3.076 3.768 0.569) 4.898 2.125 ( 0.314 7.188 0.834) 7.243 2.229 ( 4.898 11.631 0.730) 12.641 2.317 ( 5.003 4.986 1.717) 7.269 2.377 ( 4.292 6.594 2.321) 8.202 2.426 ( -0.843 -0.056 0.505) 0.984 2.526 ( 2.208 8.366 1.643) 8.807 2.765 ( -1.716 1.274 -9.880) 10.109 2.964 ( -11.378 1.373 -3.711) 12.046 3.236 ( 1.948 2.536 -21.605) 21.841 3.499 ( -5.462 1.278 -1.240) 5.745 3.561 ( 8.859 -0.941 1.927) 9.115 3.841 ( -1.153 -2.983 5.897) 6.708 3.884 ( 6.860 -0.884 12.260) 14.077 4.137 ( -3.889 -3.648 6.821) 8.658 4.412 ( -1.739 -4.475 -4.890) 6.853 5.311 ( 0.176 -1.094 1.326) 1.728 5.441 ( -2.593 -3.566 -0.708) 4.466 5.666 ( 3.118 -1.571 4.280) 5.524 5.841 ( -0.507 8.597 -0.246) 8.615 5.957 ( 0.133 -3.170 -1.297) 3.428 6.093 ( -1.388 1.801 -2.372) 3.286 6.233 ( -1.722 4.117 1.299) 4.648 6.294 ( 1.924 2.359 2.874) 4.186 6.330 ( -4.765 6.438 -6.054) 10.041 6.519 ( 3.188 -0.486 -1.574) 3.588 6.597 ( -1.144 1.409 -1.646) 2.450 6.610 ( 0.035 5.120 -0.364) 5.133 6.633 ( 1.330 2.288 2.283) 3.495 6.790 ( 3.863 1.479 -0.614) 4.182 6.826 ( 1.876 3.932 -1.723) 4.685 6.872 ( 4.954 3.394 -1.535) 6.198 6.918 ( -0.549 1.643 1.088) 2.046 6.970 ( 1.135 3.088 -4.421) 5.511 7.161 ( 1.652 -0.003 2.248) 2.789 7.298 ( -0.905 0.576 0.768) 1.319 7.341 ( -3.965 -1.845 0.330) 4.385 7.452 ( 0.091 2.234 0.096) 2.238 7.472 ( -0.519 5.474 -0.626) 5.534 7.538 ( -2.110 2.989 -6.661) 7.599 7.821 ( -6.806 1.681 4.451) 8.304 7.880 ( 5.263 0.731 3.905) 6.594 8.421 ( -1.085 -2.534 -0.243) 2.768 8.497 ( -3.516 3.604 -3.344) 6.044 8.683 ( 10.417 8.634 -14.089) 19.533 8.783 ( 3.551 -2.554 -1.555) 4.642 8.930 ( 2.713 -2.621 3.376) 5.062 9.062 ( -4.248 -1.279 -8.001) 9.149 9.482 ( -8.995 -3.846 11.584) 15.162 10.011 ( 1.708 -3.867 -1.575) 4.512 10.339 ( -0.296 -13.710 8.445) 16.105 10.386 ( -0.008 -7.528 2.599) 7.965 ======================= Grid point 71 (28/91) ======================= q-point: ( 0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 8.931 11.228 15.177) 20.885 0.893 ( 14.727 10.244 12.996) 22.152 1.314 ( -3.881 11.605 -5.583) 13.450 1.337 ( -4.076 7.532 -5.296) 10.069 1.469 ( 2.298 7.742 -2.801) 8.548 1.635 ( 2.693 9.398 -2.348) 10.054 1.656 ( 8.188 14.956 10.331) 19.936 1.944 ( -3.576 8.170 4.894) 10.173 2.105 ( 2.303 6.897 1.966) 7.533 2.116 ( -0.813 2.325 -2.767) 3.704 2.223 ( -5.409 8.567 -2.785) 10.507 2.308 ( -6.818 4.143 -2.092) 8.248 2.350 ( 1.679 5.543 -2.371) 6.258 2.519 ( 1.685 5.694 -0.182) 5.940 2.579 ( -0.956 5.562 -0.764) 5.695 2.744 ( 7.984 3.511 0.802) 8.759 2.817 ( -1.450 2.189 -2.990) 3.979 3.057 ( -15.962 2.447 -4.813) 16.851 3.344 ( 3.857 3.572 -19.702) 20.392 3.775 ( 9.158 -3.220 3.891) 10.459 3.865 ( -2.344 -3.704 6.721) 8.024 4.051 ( 1.149 -2.888 9.756) 10.239 4.160 ( 3.699 -2.338 7.801) 8.945 4.314 ( -4.728 -4.299 -8.566) 10.687 5.302 ( -1.496 -1.296 2.756) 3.394 5.371 ( -4.238 -2.508 -1.895) 5.277 5.752 ( 3.252 -2.786 3.150) 5.316 5.820 ( -1.140 7.036 -1.138) 7.218 5.929 ( -2.147 -0.529 -1.126) 2.481 6.065 ( -0.954 1.050 -0.100) 1.423 6.161 ( -4.182 7.745 -3.141) 9.345 6.236 ( -1.727 9.824 0.694) 9.999 6.376 ( 3.062 1.482 3.486) 4.871 6.502 ( -3.261 -0.648 -1.592) 3.686 6.574 ( 0.415 1.752 -2.047) 2.726 6.614 ( -0.498 2.881 -0.447) 2.957 6.660 ( 0.987 3.004 1.533) 3.514 6.774 ( -2.233 1.794 -1.177) 3.097 6.849 ( 0.535 1.113 -0.242) 1.258 6.888 ( -2.012 0.204 -0.547) 2.095 6.958 ( 2.882 4.655 -3.405) 6.447 6.981 ( 3.875 2.514 -0.497) 4.646 7.183 ( -2.580 -1.097 3.250) 4.292 7.256 ( -4.038 -0.300 -0.524) 4.083 7.301 ( 0.784 0.040 1.332) 1.546 7.455 ( 0.048 2.348 0.169) 2.355 7.486 ( -0.068 6.186 -2.281) 6.594 7.509 ( 5.038 2.013 -3.535) 6.476 7.725 ( -5.207 0.018 2.546) 5.796 8.004 ( 4.545 1.269 5.343) 7.129 8.369 ( -4.156 1.340 -0.938) 4.466 8.460 ( 0.952 0.732 -0.490) 1.297 8.660 ( -2.880 4.184 -4.039) 6.490 8.817 ( 1.224 -2.360 -2.580) 3.705 8.962 ( 1.334 -1.702 -7.657) 7.956 9.083 ( 6.807 -4.323 -0.968) 8.121 9.476 ( -0.460 -2.426 10.032) 10.331 10.024 ( 0.693 -4.180 -1.417) 4.468 10.303 ( -4.659 -6.662 1.923) 8.354 10.391 ( -2.165 -9.115 3.902) 10.149 ======================= Grid point 72 (29/91) ======================= q-point: ( 0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 1.911 12.029 4.298) 12.916 1.153 ( -4.623 6.780 -3.884) 9.079 1.212 ( 3.345 8.756 5.612) 10.924 1.252 ( 4.476 14.126 9.705) 17.713 1.558 ( 12.387 3.384 -6.704) 14.486 1.582 ( 3.646 10.658 -11.436) 16.052 1.853 ( -7.274 1.633 0.288) 7.461 1.947 ( -4.861 8.658 1.945) 10.118 2.038 ( 1.729 6.406 7.979) 10.377 2.121 ( -0.284 2.448 -8.338) 8.695 2.214 ( -2.347 8.810 -1.221) 9.199 2.281 ( 5.523 5.650 9.587) 12.423 2.367 ( 4.741 8.816 2.779) 10.389 2.440 ( -10.717 4.627 -5.463) 12.888 2.521 ( -2.449 11.267 1.334) 11.607 2.610 ( -10.655 8.058 -8.506) 15.838 2.819 ( -0.084 2.171 5.403) 5.823 3.050 ( 11.160 -0.015 8.116) 13.799 3.340 ( 7.593 3.098 -21.598) 23.103 3.816 ( -5.853 -3.798 2.710) 7.485 3.930 ( 4.143 -4.502 4.281) 7.467 4.065 ( -4.278 -1.226 -2.904) 5.314 4.136 ( -5.721 -4.605 -3.899) 8.315 4.325 ( 5.531 -3.007 9.724) 11.584 5.280 ( -3.599 -1.740 -1.611) 4.310 5.324 ( 1.822 -2.820 4.351) 5.496 5.781 ( -1.341 -0.260 -2.855) 3.165 5.827 ( 2.346 -1.730 1.474) 3.266 5.866 ( -3.245 6.685 -1.156) 7.520 6.042 ( -1.301 2.204 1.771) 3.112 6.132 ( 2.214 8.801 -1.357) 9.176 6.229 ( -0.273 8.790 2.524) 9.150 6.399 ( -3.020 -1.786 -0.308) 3.522 6.451 ( 0.088 1.661 -2.471) 2.979 6.565 ( -0.253 2.572 -0.521) 2.637 6.593 ( -0.047 2.354 -0.802) 2.488 6.689 ( 0.661 2.695 1.377) 3.097 6.747 ( -2.058 6.805 3.050) 7.736 6.829 ( 0.916 -0.178 -5.616) 5.693 6.855 ( -0.923 -1.583 -1.245) 2.216 6.961 ( -0.477 5.357 -0.677) 5.421 7.064 ( 3.201 1.329 -1.461) 3.762 7.136 ( -3.320 -1.537 -0.956) 3.781 7.178 ( -1.984 -1.215 -0.550) 2.391 7.334 ( 1.052 0.698 2.403) 2.714 7.455 ( -0.051 2.323 0.046) 2.324 7.481 ( 0.766 5.900 -1.274) 6.084 7.603 ( 4.353 2.496 1.804) 5.332 7.677 ( -1.049 0.167 1.537) 1.868 8.098 ( 0.721 0.379 4.311) 4.387 8.295 ( -2.413 3.066 1.962) 4.367 8.482 ( 1.584 1.535 -1.536) 2.688 8.602 ( -2.123 -0.902 0.216) 2.317 8.803 ( 0.602 -1.963 -5.777) 6.131 8.944 ( -0.464 -3.001 -1.775) 3.517 9.166 ( 3.167 -3.656 -1.685) 5.123 9.560 ( 3.353 -2.920 6.576) 7.938 10.017 ( -0.172 -4.543 -2.401) 5.142 10.225 ( -4.450 -4.376 0.641) 6.274 10.369 ( -1.907 -7.438 2.274) 8.008 ======================= Grid point 73 (30/91) ======================= q-point: (-0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -13.666 9.846 -2.228) 16.990 0.989 ( -13.246 18.864 4.207) 23.431 1.318 ( 3.665 12.980 4.373) 14.179 1.553 ( 13.250 3.460 7.957) 15.838 1.616 ( 6.401 8.461 -9.211) 14.050 1.714 ( -3.958 1.543 2.357) 4.858 1.772 ( -15.632 5.622 5.586) 17.526 1.815 ( -1.175 6.344 -6.317) 9.029 1.942 ( 0.023 11.142 5.101) 12.254 2.039 ( -1.758 0.060 -8.404) 8.586 2.126 ( -0.092 9.554 -4.081) 10.389 2.216 ( 0.622 12.169 0.186) 12.186 2.357 ( 0.598 3.154 -6.210) 6.990 2.418 ( -1.878 9.927 -7.784) 12.754 2.510 ( 0.004 7.134 2.059) 7.425 2.801 ( 8.204 2.862 11.030) 14.041 2.860 ( 6.792 3.763 11.730) 14.067 3.281 ( 9.169 -0.004 -6.365) 11.162 3.365 ( 7.851 2.196 -4.487) 9.305 3.665 ( -10.396 -2.742 -3.187) 11.214 3.821 ( -8.395 -0.362 -14.750) 16.975 3.988 ( -2.543 -3.966 4.942) 6.828 4.132 ( -0.280 -3.724 6.725) 7.693 4.446 ( 1.724 -4.192 5.280) 6.958 5.239 ( 0.071 -1.208 -0.295) 1.246 5.415 ( 3.756 -5.542 5.721) 8.807 5.694 ( -4.372 -2.313 -5.570) 7.449 5.830 ( 0.056 8.581 -0.126) 8.582 5.881 ( 2.893 0.229 -0.384) 2.927 6.062 ( 1.587 3.050 3.281) 4.753 6.191 ( 3.600 6.262 1.250) 7.330 6.264 ( 2.465 10.438 3.359) 11.239 6.319 ( -3.450 1.542 -3.531) 5.172 6.438 ( 0.384 -2.690 -2.438) 3.651 6.543 ( 0.107 2.203 -3.922) 4.500 6.621 ( 1.194 5.984 2.057) 6.440 6.686 ( -1.917 0.950 1.082) 2.398 6.732 ( -1.372 7.700 2.760) 8.294 6.828 ( 2.771 0.133 -5.176) 5.872 6.831 ( -0.613 -0.463 -4.105) 4.176 6.945 ( -1.013 3.711 0.690) 3.908 6.997 ( -4.975 3.171 -3.563) 6.892 7.116 ( 1.172 -0.597 -0.058) 1.316 7.206 ( 3.057 -3.167 -0.187) 4.406 7.365 ( 0.355 0.587 2.958) 3.037 7.453 ( -0.155 2.085 -0.067) 2.092 7.496 ( 1.418 6.505 -0.791) 6.704 7.668 ( 0.762 2.875 3.007) 4.230 7.699 ( 1.810 0.343 1.709) 2.512 8.034 ( -7.989 1.077 2.879) 8.560 8.358 ( 5.327 2.819 3.731) 7.088 8.498 ( 0.897 3.312 -1.302) 3.670 8.567 ( -1.374 -2.860 -0.436) 3.203 8.776 ( 1.270 -2.119 -8.617) 8.964 8.921 ( -2.039 -3.125 2.532) 4.509 9.190 ( 1.040 -2.832 -2.514) 3.927 9.665 ( 2.777 -5.314 5.623) 8.220 9.988 ( -0.381 -4.550 -4.438) 6.367 10.160 ( -3.246 -4.089 3.923) 6.531 10.361 ( -0.039 -6.287 0.990) 6.365 ======================= Grid point 74 (31/91) ======================= q-point: (-0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -12.246 15.188 3.992) 19.914 0.756 ( -15.614 16.128 9.145) 24.239 1.306 ( -23.840 24.437 21.698) 40.452 1.362 ( 0.380 15.036 -0.030) 15.041 1.652 ( 2.864 5.090 -9.482) 11.137 1.717 ( -0.291 0.706 -5.874) 5.923 1.773 ( 5.432 3.046 -0.608) 6.258 1.903 ( 1.640 2.097 -0.566) 2.722 2.000 ( 3.054 1.934 -5.606) 6.670 2.048 ( 9.011 8.277 5.248) 13.314 2.113 ( 0.900 10.447 -2.584) 10.799 2.225 ( 1.115 15.089 -1.392) 15.194 2.370 ( -0.452 7.775 -1.662) 7.964 2.393 ( 5.213 1.108 -3.185) 6.208 2.515 ( -0.739 6.842 1.665) 7.080 2.810 ( -2.107 0.686 2.806) 3.575 3.117 ( 2.111 1.021 3.208) 3.973 3.339 ( 5.699 0.644 -15.250) 16.293 3.421 ( -0.386 2.514 -14.357) 14.581 3.541 ( -2.614 -1.952 13.476) 13.865 3.689 ( 5.600 1.513 -2.847) 6.462 3.920 ( -7.555 -3.314 4.828) 9.558 4.158 ( -2.383 -4.173 7.224) 8.676 4.457 ( -1.400 -4.348 -0.421) 4.587 5.271 ( 2.592 -1.103 0.762) 2.918 5.483 ( -0.981 -7.638 2.271) 8.029 5.612 ( -0.190 0.976 -0.638) 1.182 5.840 ( 0.597 8.750 0.054) 8.771 5.934 ( 2.901 -2.067 -0.880) 3.669 6.114 ( 0.897 1.287 1.484) 2.159 6.236 ( -0.006 4.523 -1.919) 4.913 6.263 ( 0.081 4.321 2.290) 4.891 6.398 ( 9.063 9.102 3.245) 13.248 6.423 ( -0.304 -1.501 -5.600) 5.805 6.541 ( 3.163 4.200 -3.293) 6.204 6.631 ( -1.288 5.051 -0.260) 5.219 6.645 ( -2.370 0.161 1.369) 2.741 6.741 ( 1.773 9.478 0.528) 9.657 6.776 ( -1.045 1.720 -3.393) 3.945 6.859 ( 2.029 2.092 -1.940) 3.501 6.929 ( -1.413 1.546 1.038) 2.338 6.947 ( 1.992 2.114 -3.218) 4.335 7.136 ( 0.509 -1.238 0.928) 1.629 7.268 ( 3.430 -1.398 -0.049) 3.704 7.377 ( -1.024 -0.937 2.176) 2.581 7.451 ( -0.012 2.131 -0.021) 2.131 7.507 ( -0.206 6.453 -1.626) 6.658 7.638 ( -4.320 2.833 -1.823) 5.478 7.769 ( 3.762 0.511 3.461) 5.137 7.912 ( -6.512 2.469 3.700) 7.886 8.447 ( -0.800 -2.335 0.885) 2.622 8.511 ( 4.015 6.846 2.176) 8.229 8.572 ( 3.976 3.275 -8.174) 9.662 8.747 ( 1.713 -2.797 -6.165) 6.983 8.909 ( -1.372 -3.235 3.818) 5.189 9.169 ( -0.976 -1.886 -5.700) 6.083 9.646 ( -8.474 -7.905 0.792) 11.615 9.982 ( 2.405 -3.481 -2.349) 4.839 10.204 ( 2.772 -8.630 13.618) 16.359 10.374 ( 0.701 -5.856 0.440) 5.914 ======================= Grid point 75 (32/91) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.927 18.490 8.313) 20.293 0.985 ( -0.662 19.528 7.544) 20.945 1.578 ( -5.193 4.972 -13.129) 14.968 1.687 ( -0.895 12.364 -5.003) 13.368 1.726 ( -1.735 13.232 -2.390) 13.557 1.873 ( 1.561 17.234 1.675) 17.386 1.971 ( -0.610 19.893 3.857) 20.273 2.044 ( 5.800 5.202 2.039) 8.053 2.141 ( 1.317 5.851 3.020) 6.715 2.305 ( -1.871 9.502 3.060) 10.156 2.388 ( 3.832 4.786 -0.611) 6.162 2.441 ( 3.525 4.616 -1.641) 6.035 2.524 ( 0.392 8.897 -3.691) 9.640 2.557 ( -1.846 12.968 1.158) 13.150 2.778 ( 2.406 7.679 -3.152) 8.643 2.834 ( 1.090 14.351 0.609) 14.405 3.016 ( -9.415 3.991 0.087) 10.226 3.297 ( -0.462 3.321 -9.662) 10.228 3.527 ( -2.625 1.555 -3.134) 4.374 3.584 ( 6.252 3.998 -0.576) 7.444 3.766 ( -1.957 -3.991 4.540) 6.354 3.871 ( 5.130 -0.308 7.485) 9.079 4.039 ( -1.450 -5.678 3.684) 6.922 4.291 ( -2.505 -7.350 -2.329) 8.107 5.286 ( 0.399 -1.321 0.505) 1.470 5.376 ( -1.187 -2.612 -0.825) 2.985 5.673 ( 2.166 1.646 1.624) 3.168 5.862 ( -0.682 -2.532 -0.518) 2.673 6.030 ( 0.744 1.686 -1.299) 2.255 6.122 ( -2.347 5.466 2.087) 6.304 6.288 ( -1.349 1.629 1.788) 2.769 6.347 ( 1.172 3.468 1.664) 4.021 6.425 ( 1.265 1.843 -3.011) 3.750 6.532 ( 0.888 2.768 0.130) 2.910 6.606 ( -1.026 -0.375 0.034) 1.093 6.684 ( -1.420 3.341 1.238) 3.836 6.739 ( 1.568 5.233 0.737) 5.513 6.784 ( 0.926 -1.678 0.107) 1.920 6.842 ( -2.942 1.577 -2.863) 4.398 6.959 ( 2.484 4.309 -2.726) 5.672 6.993 ( 0.949 4.122 -0.357) 4.245 7.040 ( 3.792 4.667 -2.178) 6.395 7.194 ( 1.520 4.119 0.338) 4.404 7.320 ( -2.491 -0.183 0.886) 2.650 7.334 ( -0.017 1.806 2.628) 3.189 7.530 ( 0.303 5.072 -0.721) 5.131 7.589 ( -3.514 4.228 -2.973) 6.250 7.627 ( -0.352 7.311 -0.640) 7.347 7.804 ( -2.466 -1.394 0.028) 2.833 7.970 ( 0.681 6.784 5.521) 8.773 8.341 ( -0.809 -5.325 0.761) 5.440 8.558 ( -2.445 1.264 -6.582) 7.135 8.728 ( 3.052 -1.796 0.322) 3.556 8.771 ( 5.502 -0.210 -11.713) 12.942 8.852 ( 6.148 -3.837 2.364) 7.623 9.047 ( -5.234 -0.289 -7.301) 8.988 9.390 ( -5.974 -5.127 11.699) 14.101 9.907 ( 1.387 -6.334 -2.082) 6.810 10.098 ( 0.271 -10.296 8.091) 13.098 10.224 ( -0.428 -9.455 -0.072) 9.465 ======================= Grid point 76 (33/91) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 8.208 15.030 8.152) 18.967 1.135 ( 11.837 14.728 9.059) 20.955 1.425 ( -2.564 7.119 -11.581) 13.834 1.615 ( -1.405 8.171 -4.551) 9.458 1.696 ( -1.628 18.764 -1.137) 18.869 1.868 ( 1.655 10.934 -12.446) 16.649 2.001 ( -2.195 12.803 4.257) 13.669 2.126 ( -0.618 5.785 0.626) 5.852 2.170 ( 3.351 12.130 7.123) 14.460 2.276 ( -5.908 7.475 4.347) 10.473 2.375 ( -0.510 6.204 -0.076) 6.225 2.475 ( -0.100 12.043 -0.277) 12.046 2.501 ( 0.834 7.984 -2.813) 8.506 2.608 ( 4.133 7.251 -2.966) 8.858 2.778 ( 0.299 8.357 0.684) 8.390 2.879 ( 0.733 8.334 -0.289) 8.371 2.931 ( 1.566 14.576 5.045) 15.503 3.148 ( -12.456 6.880 -2.904) 14.523 3.443 ( 2.865 6.117 -14.486) 15.983 3.711 ( 5.852 -2.756 2.513) 6.940 3.769 ( -2.124 -5.258 3.847) 6.853 3.974 ( 1.096 -4.975 5.138) 7.235 4.091 ( 3.627 -4.355 5.415) 7.839 4.210 ( -3.984 -5.528 -3.628) 7.720 5.274 ( -1.728 -1.545 1.175) 2.599 5.323 ( -3.490 -1.884 -1.309) 4.176 5.727 ( 2.240 0.012 1.208) 2.545 5.826 ( -2.333 -1.813 -0.985) 3.114 6.019 ( -0.597 0.663 -1.214) 1.507 6.114 ( -0.336 7.853 2.663) 8.299 6.275 ( -0.370 3.816 -1.202) 4.018 6.390 ( 0.134 1.004 2.992) 3.159 6.423 ( 1.033 4.745 -0.771) 4.917 6.505 ( -2.947 3.275 1.286) 4.589 6.600 ( 0.576 0.680 -2.515) 2.668 6.670 ( -1.117 2.019 1.025) 2.525 6.755 ( -0.619 3.590 -3.052) 4.752 6.779 ( 1.629 2.362 0.125) 2.872 6.843 ( 1.196 -0.953 -0.083) 1.531 6.935 ( -0.509 2.604 -1.413) 3.006 7.031 ( 2.411 4.725 -1.870) 5.625 7.079 ( 0.189 4.493 1.221) 4.660 7.193 ( -2.180 2.416 0.789) 3.348 7.265 ( -2.923 1.632 -0.045) 3.348 7.352 ( -0.200 4.230 2.579) 4.958 7.529 ( 0.496 4.507 -1.785) 4.873 7.553 ( 1.923 4.052 -3.072) 5.436 7.636 ( 1.064 6.222 0.336) 6.321 7.733 ( -3.653 1.986 1.296) 4.355 8.053 ( 3.447 3.909 4.351) 6.789 8.338 ( -0.123 -4.543 -0.031) 4.545 8.488 ( -1.515 1.811 -2.815) 3.674 8.726 ( -3.761 0.912 -2.518) 4.617 8.763 ( 1.312 -2.362 -4.388) 5.153 8.905 ( -3.488 -4.259 -3.312) 6.425 8.996 ( 7.333 -2.903 -3.579) 8.661 9.411 ( -0.126 -3.969 9.715) 10.495 9.913 ( 0.601 -6.714 -2.052) 7.047 10.132 ( -1.137 -9.652 4.643) 10.771 10.202 ( -1.883 -9.856 0.597) 10.052 ======================= Grid point 77 (34/91) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -4.717 10.903 -6.127) 13.367 1.315 ( 11.646 10.821 6.534) 17.188 1.438 ( 6.397 13.096 5.465) 15.566 1.619 ( -2.217 17.355 3.091) 17.767 1.658 ( 6.874 7.552 -5.347) 11.527 1.822 ( 2.655 11.711 -13.010) 17.705 1.890 ( -7.537 2.651 -0.688) 8.019 2.131 ( -0.159 4.570 -3.350) 5.669 2.172 ( -2.781 8.953 -2.062) 9.599 2.262 ( -0.116 11.733 4.366) 12.519 2.363 ( -2.244 5.851 1.454) 6.433 2.459 ( -0.544 10.621 -0.347) 10.640 2.552 ( -4.721 9.031 -7.033) 12.382 2.602 ( 5.872 12.825 4.132) 14.698 2.806 ( -0.913 15.851 5.120) 16.682 2.868 ( -5.621 14.723 2.823) 16.011 2.907 ( -4.463 8.055 3.038) 9.697 3.087 ( 8.667 5.938 6.807) 12.518 3.432 ( 5.254 5.958 -15.672) 17.571 3.723 ( -4.493 -4.823 0.595) 6.619 3.818 ( 3.722 -6.341 2.131) 7.655 4.002 ( -1.266 -7.827 0.307) 7.934 4.042 ( -5.062 -1.640 -6.218) 8.184 4.244 ( 3.184 -4.885 9.177) 10.873 5.246 ( -2.202 -1.717 -1.194) 3.037 5.272 ( -0.191 -1.921 2.242) 2.958 5.749 ( -0.873 -0.481 -2.843) 3.013 5.786 ( -0.157 -1.460 0.659) 1.610 6.007 ( 0.047 1.174 -1.076) 1.594 6.133 ( 0.174 9.470 3.644) 10.149 6.268 ( 0.945 4.244 -1.761) 4.691 6.356 ( -3.544 -1.446 1.661) 4.173 6.428 ( -1.024 8.150 2.319) 8.535 6.500 ( -0.248 3.458 -3.779) 5.128 6.603 ( 2.768 0.754 -0.165) 2.874 6.658 ( 0.101 3.849 -1.042) 3.989 6.741 ( -0.422 -0.412 -1.340) 1.464 6.814 ( -0.671 1.180 0.296) 1.389 6.821 ( 1.420 3.083 -1.546) 3.730 6.931 ( -0.358 5.305 -0.445) 5.336 7.058 ( -3.458 3.218 3.159) 5.682 7.092 ( 4.980 3.985 -1.335) 6.516 7.165 ( -0.378 1.431 -0.548) 1.578 7.183 ( -5.037 3.926 -2.183) 6.749 7.368 ( -0.176 2.908 3.382) 4.463 7.523 ( -0.093 4.638 -0.819) 4.710 7.581 ( 2.179 3.716 -2.592) 5.028 7.659 ( 0.349 2.323 2.458) 3.400 7.736 ( 2.831 6.817 1.440) 7.521 8.114 ( -0.824 1.420 3.817) 4.155 8.336 ( 0.613 -1.098 0.457) 1.338 8.476 ( 1.605 -0.136 -1.327) 2.087 8.625 ( -4.286 2.543 -1.644) 5.247 8.749 ( -0.272 -3.423 -2.901) 4.495 8.855 ( -0.809 -5.762 -2.561) 6.358 9.083 ( 4.266 -3.943 -2.891) 6.489 9.483 ( 1.367 -4.629 7.917) 9.273 9.901 ( -0.171 -6.757 -2.852) 7.336 10.108 ( -3.054 -7.062 0.593) 7.717 10.183 ( -0.673 -10.594 2.016) 10.805 ======================= Grid point 78 (35/91) ======================= q-point: (-0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -7.620 15.135 -3.686) 17.341 1.332 ( -14.497 14.926 2.081) 20.912 1.571 ( 10.403 9.507 5.878) 15.270 1.696 ( 2.856 10.686 3.375) 11.564 1.779 ( -0.472 7.388 -6.146) 9.622 1.803 ( 5.344 7.459 -4.443) 10.195 1.865 ( 10.271 6.988 -2.133) 12.605 2.057 ( -3.200 2.379 -8.285) 9.195 2.148 ( -9.508 16.539 3.597) 19.413 2.172 ( -1.819 15.193 0.615) 15.313 2.327 ( -1.004 10.463 1.572) 10.628 2.427 ( -0.092 6.777 -6.721) 9.545 2.477 ( 1.896 10.401 -0.395) 10.580 2.690 ( -1.851 12.409 2.543) 12.801 2.720 ( -0.323 16.761 -4.463) 17.348 2.862 ( -3.246 3.874 6.254) 8.041 3.019 ( 8.057 11.806 10.026) 17.458 3.281 ( 5.756 0.545 7.006) 9.083 3.445 ( 5.496 5.581 -8.922) 11.872 3.610 ( -5.877 -1.552 -4.424) 7.518 3.807 ( -4.064 -1.715 -9.621) 10.584 3.894 ( -2.919 -4.635 1.944) 5.812 4.036 ( 0.251 -5.237 2.894) 5.989 4.331 ( 0.445 -7.168 6.011) 9.365 5.221 ( 0.446 -0.580 -0.438) 0.853 5.318 ( 2.807 -3.918 2.213) 5.304 5.688 ( -2.314 1.147 -3.398) 4.268 5.814 ( 2.001 -1.853 0.269) 2.740 6.005 ( 0.510 1.841 -1.109) 2.209 6.162 ( -0.444 9.553 5.052) 10.815 6.289 ( 1.688 2.805 -0.147) 3.277 6.315 ( -1.099 -1.393 -0.604) 1.875 6.420 ( -0.660 2.541 -1.548) 3.048 6.473 ( 0.638 6.726 0.045) 6.756 6.638 ( 1.313 4.629 -0.726) 4.866 6.661 ( -0.144 0.804 -2.259) 2.402 6.732 ( 0.272 1.186 0.729) 1.418 6.800 ( 0.352 0.550 -2.327) 2.417 6.853 ( 1.697 4.931 -0.209) 5.219 6.922 ( -0.016 5.444 -1.196) 5.574 7.011 ( -2.950 2.345 2.746) 4.663 7.069 ( -5.100 4.653 -1.175) 7.003 7.152 ( 2.109 4.972 -2.172) 5.821 7.194 ( 3.637 1.267 -0.321) 3.865 7.382 ( -0.818 1.425 3.246) 3.638 7.520 ( 0.201 4.571 -0.397) 4.593 7.601 ( 1.645 3.590 -2.001) 4.427 7.698 ( 2.374 1.678 1.932) 3.490 7.786 ( -0.523 7.263 3.061) 7.900 8.064 ( -5.560 1.885 3.080) 6.630 8.372 ( 1.001 -3.216 1.633) 3.743 8.527 ( 4.902 0.098 -1.670) 5.180 8.576 ( 1.061 4.252 -1.661) 4.687 8.718 ( -0.123 -3.326 -6.194) 7.032 8.827 ( -1.586 -6.168 0.816) 6.420 9.124 ( 2.260 -3.336 -2.845) 4.932 9.538 ( -1.688 -6.953 7.512) 10.374 9.879 ( 0.502 -6.089 -3.409) 6.996 10.052 ( -3.032 -6.516 1.764) 7.400 10.196 ( 0.816 -9.776 0.942) 9.855 ======================= Grid point 79 (36/91) ======================= q-point: (-0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -6.300 19.703 -0.323) 20.689 1.068 ( -14.060 15.934 6.784) 22.306 1.703 ( 0.402 17.123 -0.564) 17.137 1.736 ( 0.702 3.954 -11.614) 12.289 1.742 ( 0.180 7.792 1.888) 8.019 1.861 ( 1.257 11.917 1.894) 12.131 1.939 ( -0.989 5.088 -2.973) 5.975 1.990 ( -4.341 23.551 8.681) 25.473 2.053 ( 7.746 4.353 -4.262) 9.855 2.258 ( 6.302 11.032 0.953) 12.741 2.327 ( -0.291 10.345 -0.036) 10.349 2.417 ( 2.611 1.777 -4.826) 5.767 2.515 ( 2.026 10.131 -0.957) 10.375 2.613 ( -4.280 15.665 0.464) 16.246 2.743 ( 2.161 16.536 -1.396) 16.735 2.837 ( -1.932 2.690 2.494) 4.146 3.154 ( -1.815 2.526 2.706) 4.122 3.337 ( -0.746 -0.740 -0.134) 1.059 3.500 ( 3.132 4.186 -6.663) 8.469 3.532 ( 2.076 3.398 -0.498) 4.013 3.742 ( 4.085 3.916 -2.936) 6.376 3.835 ( -6.057 -4.867 4.541) 9.000 4.050 ( -1.169 -6.333 3.137) 7.164 4.336 ( -2.018 -7.609 1.549) 8.023 5.252 ( 2.505 -0.814 0.061) 2.634 5.373 ( 1.596 -3.871 0.623) 4.234 5.648 ( -0.069 2.490 -0.950) 2.666 5.852 ( 1.696 -2.396 0.033) 2.936 6.014 ( 1.289 2.103 -1.072) 2.689 6.160 ( -2.861 6.133 3.459) 7.600 6.300 ( -1.148 0.705 2.306) 2.671 6.320 ( 1.442 3.406 0.005) 3.699 6.412 ( 1.807 0.259 -3.621) 4.055 6.505 ( 1.676 4.086 0.624) 4.460 6.622 ( -1.906 -1.471 1.242) 2.709 6.685 ( 2.933 6.647 -0.896) 7.320 6.723 ( -0.735 3.538 -1.448) 3.893 6.787 ( -0.653 0.340 -0.610) 0.956 6.888 ( 1.914 3.097 -0.440) 3.667 6.911 ( 0.595 4.276 -3.381) 5.484 6.994 ( -0.134 2.345 -0.623) 2.430 7.009 ( -0.565 7.043 0.738) 7.104 7.168 ( 1.399 4.884 -1.608) 5.329 7.269 ( 3.930 0.839 0.576) 4.060 7.371 ( -2.486 0.294 2.800) 3.756 7.525 ( 0.475 5.320 -0.186) 5.345 7.614 ( 1.348 3.120 -2.921) 4.481 7.717 ( -5.911 4.629 1.583) 7.673 7.778 ( 2.697 2.123 1.416) 3.713 7.990 ( -4.746 5.074 4.366) 8.206 8.364 ( -2.093 -5.678 1.333) 6.196 8.618 ( 4.726 3.231 -5.613) 8.017 8.653 ( 7.865 3.675 -4.326) 9.700 8.669 ( 1.449 -3.336 -5.311) 6.438 8.812 ( -1.315 -6.491 3.143) 7.330 9.128 ( 0.390 -1.986 -4.825) 5.233 9.485 ( -8.574 -7.802 7.192) 13.642 9.889 ( 2.053 -5.707 -2.417) 6.529 10.043 ( -0.484 -7.786 6.635) 10.241 10.218 ( 0.938 -9.464 0.141) 9.511 ======================= Grid point 80 (37/91) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.938 16.878 4.830) 17.580 1.375 ( 1.176 19.237 1.786) 19.356 1.696 ( -4.031 7.027 -9.459) 12.454 1.844 ( -1.329 7.320 -3.366) 8.166 2.001 ( 2.855 4.348 -5.876) 7.848 2.052 ( 0.843 12.865 -2.634) 13.159 2.160 ( 6.329 6.871 2.625) 9.703 2.230 ( 2.514 4.616 -3.846) 6.513 2.314 ( -4.337 4.185 1.143) 6.134 2.425 ( 1.573 1.246 -2.600) 3.285 2.508 ( 0.353 8.224 0.302) 8.237 2.646 ( 2.873 6.525 -5.419) 8.955 2.719 ( 1.197 16.924 5.527) 17.844 2.835 ( -2.230 5.271 0.138) 5.725 2.854 ( -5.252 14.850 7.027) 17.248 3.065 ( -1.518 1.426 4.623) 5.070 3.215 ( 4.696 14.694 -0.711) 15.443 3.409 ( -4.491 9.133 3.324) 10.706 3.571 ( 0.385 3.159 -3.035) 4.398 3.686 ( 0.418 2.202 -1.024) 2.464 3.739 ( 0.446 4.602 0.612) 4.664 3.864 ( 1.346 1.165 -4.559) 4.894 3.969 ( 1.403 0.352 3.291) 3.595 4.150 ( -2.695 -5.593 2.292) 6.618 5.264 ( 0.288 -0.800 -0.298) 0.901 5.343 ( -0.474 -0.761 -0.669) 1.119 5.716 ( 1.323 2.449 0.017) 2.783 5.828 ( -0.718 -0.835 0.768) 1.343 6.017 ( -0.163 -0.572 0.306) 0.668 6.226 ( -0.217 3.913 -0.154) 3.922 6.308 ( -0.151 0.745 2.278) 2.402 6.409 ( -0.811 0.602 -0.131) 1.019 6.432 ( 2.374 0.981 0.127) 2.572 6.561 ( -1.316 -1.314 2.451) 3.077 6.618 ( 0.797 2.076 0.606) 2.305 6.735 ( -1.272 0.568 -2.275) 2.667 6.763 ( 1.393 1.749 0.248) 2.249 6.816 ( -0.680 3.286 1.255) 3.583 6.922 ( -1.687 5.031 -2.280) 5.776 7.036 ( -0.604 2.614 -2.493) 3.662 7.052 ( 3.000 2.611 -0.318) 3.990 7.151 ( 0.483 5.348 0.561) 5.399 7.300 ( -2.906 2.878 0.479) 4.118 7.329 ( 0.988 4.230 0.992) 4.455 7.375 ( 3.134 2.430 1.630) 4.288 7.604 ( -0.132 2.345 -3.810) 4.476 7.645 ( 1.114 -1.467 0.009) 1.842 7.742 ( -3.649 6.709 0.302) 7.643 7.889 ( -2.391 9.378 0.919) 9.721 8.091 ( 1.637 3.148 2.250) 4.201 8.226 ( -1.276 -4.444 2.186) 5.115 8.524 ( -0.585 -3.564 -4.653) 5.890 8.654 ( -0.997 -7.925 1.833) 8.195 8.728 ( 7.262 -0.351 -11.411) 13.531 8.869 ( 3.830 4.258 -0.037) 5.727 9.045 ( -4.732 0.075 -3.946) 6.162 9.289 ( -3.533 -4.854 10.392) 12.002 9.771 ( 0.943 -7.099 -2.639) 7.632 9.914 ( 0.184 -8.482 4.663) 9.681 10.026 ( -0.280 -10.109 -0.235) 10.116 ======================= Grid point 81 (38/91) ======================= q-point: ( 0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 7.276 13.405 2.363) 15.435 1.457 ( 6.052 16.661 4.769) 18.357 1.603 ( -0.117 10.343 -6.390) 12.159 1.793 ( -1.154 9.224 -2.173) 9.546 1.987 ( 1.190 6.846 -10.655) 12.721 2.043 ( -1.400 9.794 -2.638) 10.239 2.141 ( -7.145 5.356 -3.994) 9.782 2.223 ( 1.565 4.355 -4.000) 6.117 2.354 ( 2.889 3.455 8.631) 9.735 2.419 ( -1.599 5.596 -5.672) 8.127 2.478 ( -1.084 4.190 2.046) 4.787 2.628 ( -0.579 6.671 -4.664) 8.161 2.792 ( 2.096 13.587 5.276) 14.726 2.814 ( 1.002 9.524 -2.301) 9.849 2.895 ( 2.375 9.734 9.220) 13.616 3.082 ( -0.228 9.174 5.337) 10.616 3.268 ( -1.571 13.240 2.929) 13.651 3.328 ( -3.461 11.815 0.268) 12.314 3.545 ( -0.586 2.483 -2.555) 3.611 3.688 ( 1.255 2.694 -2.391) 3.814 3.740 ( -0.667 3.550 -0.683) 3.676 3.863 ( 1.620 -3.383 -5.000) 6.250 4.029 ( 1.784 -0.768 3.200) 3.743 4.121 ( -1.737 -2.858 3.340) 4.727 5.246 ( -1.685 -1.006 -0.225) 1.976 5.303 ( -2.952 -0.249 -0.525) 3.009 5.744 ( 1.610 1.519 -0.153) 2.219 5.807 ( -1.771 -0.044 0.161) 1.779 6.015 ( -0.108 0.211 0.225) 0.327 6.238 ( 1.045 4.177 0.297) 4.316 6.319 ( -0.841 1.369 1.414) 2.140 6.425 ( 3.163 -1.349 -0.427) 3.465 6.440 ( -1.578 2.926 2.181) 3.976 6.578 ( 0.740 -1.393 1.375) 2.093 6.625 ( 0.022 4.104 0.581) 4.145 6.667 ( -3.170 0.072 -2.222) 3.872 6.789 ( -1.298 0.643 -0.852) 1.680 6.824 ( 1.538 -0.220 0.890) 1.790 6.912 ( 2.128 6.468 -2.762) 7.348 6.996 ( -0.471 4.191 -1.084) 4.354 7.105 ( 2.494 2.490 0.395) 3.547 7.158 ( -0.954 3.877 1.477) 4.257 7.227 ( -4.093 0.238 0.966) 4.212 7.348 ( -1.015 5.923 -0.797) 6.062 7.434 ( 1.132 3.967 3.258) 5.257 7.602 ( 3.413 3.633 -6.217) 7.968 7.663 ( 0.755 -1.520 1.788) 2.465 7.685 ( -2.112 7.832 0.228) 8.115 7.862 ( -0.372 8.757 0.230) 8.768 8.143 ( 1.558 2.510 2.543) 3.898 8.229 ( 0.544 -3.550 1.071) 3.748 8.490 ( 0.035 -1.940 -3.804) 4.271 8.650 ( -0.897 -7.658 2.324) 8.053 8.744 ( 1.275 -0.415 -9.819) 9.910 8.854 ( -5.428 0.575 -1.282) 5.607 8.985 ( 2.531 1.296 -1.583) 3.255 9.328 ( 0.253 -4.219 8.726) 9.696 9.770 ( 0.630 -7.520 -2.639) 7.995 9.945 ( 0.227 -8.965 3.636) 9.677 10.006 ( -1.702 -9.688 -0.286) 9.841 ======================= Grid point 82 (39/91) ======================= q-point: ( 0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 2.338 10.467 -5.970) 12.275 1.575 ( 5.031 13.808 3.903) 15.206 1.691 ( 7.419 11.773 4.066) 14.497 1.813 ( 4.811 8.315 -0.728) 9.634 1.895 ( -5.232 9.160 -2.258) 10.787 1.948 ( -5.787 4.286 -1.737) 7.408 2.026 ( 0.549 8.206 -10.309) 13.187 2.208 ( 0.598 4.637 -6.411) 7.935 2.325 ( -2.119 5.035 -6.905) 8.805 2.452 ( 1.753 4.497 6.752) 8.300 2.488 ( -0.171 8.283 -0.716) 8.315 2.595 ( -0.580 4.306 -0.156) 4.347 2.808 ( -0.867 14.296 -2.039) 14.467 2.858 ( 2.229 11.492 2.953) 12.073 2.970 ( -1.482 4.208 5.948) 7.435 3.118 ( -1.247 8.438 7.383) 11.281 3.192 ( -5.587 17.280 6.815) 19.397 3.331 ( 2.563 12.846 -1.708) 13.210 3.528 ( -0.013 2.615 -0.613) 2.686 3.701 ( -0.164 3.206 -4.423) 5.465 3.722 ( 2.331 -0.815 -2.215) 3.317 3.853 ( 0.725 -2.812 -4.625) 5.461 4.030 ( -1.926 0.788 -0.412) 2.122 4.153 ( 0.650 -3.411 6.552) 7.415 5.218 ( -0.750 -0.786 -0.314) 1.130 5.253 ( -1.578 -0.144 0.344) 1.622 5.766 ( -1.158 1.748 -1.967) 2.875 5.774 ( 0.876 0.540 0.334) 1.082 6.016 ( -0.029 0.746 0.067) 0.750 6.263 ( 1.176 3.043 1.231) 3.487 6.297 ( -1.491 0.435 0.576) 1.656 6.399 ( -2.938 4.402 1.680) 5.552 6.508 ( 2.504 1.049 -2.739) 3.857 6.566 ( -0.640 2.055 0.641) 2.246 6.612 ( 0.271 0.289 -1.299) 1.358 6.662 ( 0.755 -2.203 2.203) 3.206 6.748 ( -0.621 1.409 -1.067) 1.873 6.827 ( -0.806 1.040 -0.774) 1.527 6.949 ( 2.358 6.046 -0.400) 6.502 7.018 ( 2.152 5.371 -1.620) 6.009 7.119 ( -3.657 2.352 1.089) 4.482 7.170 ( 1.862 2.598 1.303) 3.452 7.178 ( 0.531 0.988 0.279) 1.156 7.284 ( -4.706 4.076 0.170) 6.228 7.447 ( -1.804 5.006 3.689) 6.475 7.618 ( 0.829 3.846 -3.596) 5.330 7.671 ( 0.265 6.414 0.537) 6.442 7.713 ( 3.799 2.906 -1.027) 4.892 7.886 ( 2.801 7.175 -0.101) 7.704 8.157 ( -2.307 1.876 3.505) 4.596 8.256 ( 1.368 -3.637 0.314) 3.899 8.481 ( 1.273 -1.450 -2.429) 3.102 8.645 ( -1.419 -7.944 -0.698) 8.100 8.666 ( -2.262 0.702 -1.527) 2.818 8.780 ( -1.118 1.070 -3.835) 4.135 9.033 ( 3.160 -0.930 -1.968) 3.837 9.386 ( -0.134 -4.856 8.020) 9.376 9.760 ( 0.367 -7.342 -3.072) 7.968 9.959 ( -2.082 -7.650 0.283) 7.933 9.973 ( 0.085 -10.124 1.599) 10.250 ======================= Grid point 83 (40/91) ======================= q-point: (-0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -2.458 15.477 -4.408) 16.279 1.590 ( -12.630 11.328 0.835) 16.987 1.745 ( 6.786 8.865 4.625) 12.084 1.845 ( -1.702 6.311 0.844) 6.591 1.931 ( 6.786 6.330 -6.796) 11.502 1.973 ( 5.619 4.421 -1.503) 7.306 2.020 ( 4.323 11.459 -0.797) 12.273 2.157 ( -1.454 6.989 -6.209) 9.462 2.294 ( 4.517 4.881 -7.226) 9.820 2.450 ( -0.122 5.480 -6.916) 8.825 2.494 ( -1.653 4.620 3.765) 6.185 2.602 ( -0.725 6.468 4.289) 7.795 2.743 ( -4.082 20.703 -0.349) 21.105 2.920 ( -0.961 3.224 4.101) 5.305 2.949 ( 0.919 10.104 2.221) 10.386 3.064 ( -5.869 15.423 3.488) 16.867 3.205 ( -2.218 4.597 7.740) 9.271 3.377 ( 2.333 8.408 0.861) 8.768 3.534 ( 0.794 4.711 -0.156) 4.780 3.675 ( 1.404 5.756 -4.499) 7.440 3.750 ( 1.312 -3.221 -2.223) 4.128 3.843 ( 1.195 3.332 -3.102) 4.706 3.985 ( -2.039 1.352 -1.077) 2.673 4.189 ( -1.157 -5.900 5.562) 8.190 5.216 ( 0.777 0.109 -0.338) 0.854 5.267 ( 2.426 -1.211 0.633) 2.784 5.725 ( -1.346 2.345 -1.654) 3.170 5.801 ( 1.494 0.622 -0.281) 1.642 6.015 ( -0.068 0.621 0.097) 0.632 6.280 ( -1.009 -0.342 0.998) 1.460 6.296 ( 0.857 1.211 1.854) 2.374 6.357 ( -1.464 5.042 -0.494) 5.273 6.480 ( -1.688 2.364 -1.636) 3.334 6.562 ( 0.065 2.723 -0.078) 2.725 6.614 ( -0.983 -1.593 -0.130) 1.876 6.697 ( 1.829 -3.043 -0.417) 3.574 6.770 ( 2.251 4.393 0.058) 4.936 6.822 ( 0.511 1.841 0.621) 2.010 6.976 ( 0.460 5.839 0.089) 5.858 7.020 ( 0.259 5.104 -3.122) 5.989 7.051 ( -3.057 1.549 0.504) 3.464 7.162 ( -2.247 4.183 2.121) 5.200 7.224 ( 0.255 1.766 0.754) 1.938 7.263 ( 4.290 4.240 -0.691) 6.071 7.424 ( -2.817 3.054 2.594) 4.898 7.603 ( -0.006 2.526 -1.324) 2.852 7.674 ( -0.625 5.236 -0.168) 5.276 7.767 ( 2.626 4.931 -1.211) 5.717 7.936 ( 1.426 6.642 0.121) 6.795 8.110 ( -4.406 2.952 3.756) 6.499 8.269 ( -0.791 -5.153 1.472) 5.417 8.512 ( 3.997 -3.030 -2.866) 5.776 8.611 ( 1.839 -3.182 -6.387) 7.369 8.666 ( -0.663 -4.357 3.543) 5.655 8.751 ( 0.934 4.219 -3.356) 5.472 9.073 ( 2.540 -1.611 -1.946) 3.582 9.404 ( -3.788 -6.278 7.730) 10.655 9.754 ( 1.219 -6.585 -2.834) 7.272 9.913 ( -2.498 -7.303 0.705) 7.751 9.997 ( 1.143 -9.764 0.784) 9.862 ======================= Grid point 84 (41/91) ======================= q-point: (-0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -5.979 17.409 -0.485) 18.414 1.389 ( -6.160 16.514 2.694) 17.830 1.823 ( -1.568 4.660 -4.518) 6.677 1.845 ( 1.575 6.049 -2.006) 6.565 1.985 ( 4.433 4.592 -0.280) 6.389 2.029 ( 1.791 5.805 -2.280) 6.489 2.058 ( 1.312 13.499 -3.196) 13.934 2.172 ( 6.111 7.864 -3.637) 10.602 2.363 ( 3.054 6.052 -4.089) 7.917 2.416 ( 1.284 0.557 -6.229) 6.384 2.472 ( -0.124 5.584 2.410) 6.083 2.617 ( 0.365 9.362 2.217) 9.628 2.696 ( -1.752 20.223 3.140) 20.540 2.880 ( -3.654 3.352 3.330) 5.973 2.959 ( -7.337 17.723 3.219) 19.449 3.039 ( 4.354 5.097 -0.416) 6.716 3.176 ( -3.529 2.868 5.528) 7.158 3.424 ( 0.828 8.997 2.592) 9.400 3.554 ( 2.297 4.489 -2.310) 5.547 3.689 ( 1.867 9.127 -3.451) 9.934 3.737 ( -1.456 -5.363 0.808) 5.616 3.858 ( 1.753 8.763 -2.116) 9.183 3.953 ( -0.592 -1.442 -0.496) 1.636 4.182 ( -2.619 -6.669 3.826) 8.122 5.242 ( 1.937 -0.145 -0.404) 1.984 5.323 ( 2.624 -1.332 0.009) 2.942 5.704 ( 0.080 3.028 -0.920) 3.166 5.823 ( 0.715 -0.487 0.463) 0.981 6.016 ( 0.049 0.024 0.240) 0.246 6.253 ( -2.263 2.333 0.233) 3.259 6.303 ( -0.566 0.012 1.786) 1.874 6.375 ( 3.045 1.836 -0.339) 3.572 6.440 ( -2.479 1.793 0.877) 3.183 6.569 ( 0.071 1.432 0.491) 1.516 6.602 ( 0.179 0.143 0.068) 0.239 6.717 ( 2.102 -2.020 -2.552) 3.874 6.793 ( -0.692 3.151 -1.099) 3.408 6.817 ( -1.405 4.193 2.780) 5.223 6.975 ( -1.668 4.891 0.765) 5.224 7.007 ( 1.312 4.296 -3.374) 5.618 7.037 ( 1.270 1.973 -0.937) 2.526 7.140 ( -0.270 5.222 1.898) 5.563 7.287 ( 3.989 1.932 1.461) 4.667 7.298 ( 1.031 6.517 -2.501) 7.056 7.380 ( -3.476 0.420 2.326) 4.203 7.616 ( 1.774 -0.383 -0.484) 1.879 7.644 ( -1.764 3.853 -1.584) 4.524 7.786 ( -0.349 4.847 -0.777) 4.922 7.925 ( -2.633 10.027 2.251) 10.609 8.074 ( -1.235 1.500 1.872) 2.698 8.247 ( -2.520 -4.492 2.726) 5.828 8.556 ( 0.690 -5.586 -3.065) 6.409 8.641 ( 8.297 -1.036 -10.931) 13.762 8.664 ( -0.979 -6.992 1.242) 7.168 8.791 ( 3.745 7.444 0.575) 8.353 9.097 ( 1.240 -1.143 -3.062) 3.495 9.344 ( -7.516 -6.400 8.345) 12.926 9.766 ( 1.535 -6.501 -2.550) 7.150 9.891 ( -0.930 -7.506 3.281) 8.244 10.020 ( 0.894 -10.019 0.076) 10.059 ======================= Grid point 85 (42/91) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -1.099 13.501 1.928) 13.682 1.725 ( 1.631 15.593 -0.844) 15.701 1.840 ( -2.520 6.908 -5.101) 8.950 1.967 ( 0.160 4.755 -1.542) 5.001 2.080 ( 1.625 4.142 -3.650) 5.755 2.226 ( 2.883 4.361 -1.421) 5.417 2.255 ( 3.825 2.542 -4.288) 6.283 2.293 ( -1.138 1.071 -4.231) 4.511 2.375 ( -2.449 4.363 -1.138) 5.131 2.436 ( 2.984 0.045 -0.208) 2.991 2.615 ( 2.038 3.051 -2.380) 4.373 2.711 ( 3.515 1.709 -2.590) 4.688 2.841 ( -6.607 -1.120 8.807) 11.066 2.928 ( -2.719 2.593 3.890) 5.408 3.049 ( 2.174 -1.679 1.943) 3.365 3.201 ( -3.205 11.292 3.890) 12.366 3.418 ( -3.113 2.478 6.357) 7.499 3.468 ( 3.590 -0.456 -1.347) 3.861 3.708 ( -1.336 7.302 -6.842) 10.096 3.737 ( 0.735 10.692 0.775) 10.746 3.900 ( 3.706 6.461 -0.037) 7.449 4.001 ( 1.775 11.035 -2.648) 11.486 4.071 ( -2.819 11.794 3.180) 12.536 4.148 ( -1.919 6.208 2.222) 6.867 5.258 ( -0.045 0.197 -0.581) 0.615 5.340 ( -0.098 0.212 -0.483) 0.537 5.763 ( 0.584 2.180 -0.178) 2.264 5.826 ( -0.446 0.493 1.061) 1.252 6.036 ( -0.376 2.745 1.161) 3.004 6.300 ( 0.455 3.792 0.010) 3.819 6.320 ( 0.960 0.610 1.601) 1.964 6.397 ( 0.062 -0.818 -0.268) 0.862 6.457 ( 1.179 1.561 -0.675) 2.069 6.538 ( -2.380 -0.196 2.672) 3.584 6.642 ( 1.093 0.175 -0.083) 1.110 6.732 ( 3.332 -0.864 -0.632) 3.500 6.803 ( -2.870 1.717 -1.577) 3.698 6.882 ( -2.617 2.320 0.131) 3.500 7.001 ( -1.463 2.337 -2.940) 4.031 7.076 ( 1.418 2.008 1.111) 2.698 7.090 ( 0.755 1.797 0.909) 2.151 7.212 ( -0.454 -0.503 3.742) 3.803 7.306 ( -4.285 0.875 -0.027) 4.373 7.422 ( 4.222 2.068 1.459) 4.922 7.479 ( 2.279 7.901 -0.688) 8.252 7.560 ( 0.927 -3.960 -0.775) 4.140 7.686 ( -0.286 4.087 -4.009) 5.732 7.863 ( -2.472 3.664 -0.511) 4.449 7.986 ( 1.229 -6.524 -1.775) 6.872 8.084 ( -2.762 6.499 3.642) 7.946 8.262 ( 1.373 4.328 1.213) 4.699 8.451 ( -0.792 -3.801 -1.216) 4.068 8.503 ( -0.517 -5.762 0.149) 5.787 8.719 ( 6.813 -0.637 -10.682) 12.685 8.970 ( -0.613 4.812 0.136) 4.853 9.057 ( -2.992 1.783 -0.185) 3.488 9.205 ( -1.538 -3.609 8.069) 8.972 9.632 ( 0.445 -6.874 -2.859) 7.458 9.762 ( 0.224 -6.731 2.621) 7.226 9.841 ( -0.248 -8.265 0.029) 8.268 ======================= Grid point 86 (43/91) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 4.420 11.439 -0.726) 12.285 1.762 ( 2.998 13.498 1.579) 13.917 1.805 ( 1.506 9.389 -2.756) 9.900 1.945 ( -0.745 5.356 -1.720) 5.674 2.069 ( 0.247 4.020 -6.263) 7.446 2.181 ( -4.306 3.747 -2.902) 6.404 2.239 ( -3.116 2.830 -4.834) 6.410 2.282 ( 2.821 2.487 -5.895) 6.992 2.404 ( 2.769 2.398 4.365) 5.699 2.487 ( 2.367 1.880 -1.132) 3.228 2.546 ( -3.593 2.925 -0.875) 4.715 2.738 ( -0.396 3.527 -5.319) 6.394 2.858 ( 0.866 -0.386 10.203) 10.247 2.950 ( 2.497 1.628 4.129) 5.093 3.107 ( 0.637 1.873 1.787) 2.666 3.177 ( -0.123 0.569 1.580) 1.684 3.360 ( -5.558 4.347 7.151) 10.046 3.517 ( -0.479 1.078 0.616) 1.331 3.637 ( 0.202 7.516 -7.521) 10.635 3.743 ( -0.996 6.984 1.485) 7.209 3.931 ( -1.436 12.799 -1.263) 12.941 4.000 ( 1.884 11.630 -2.251) 11.995 4.090 ( 0.787 9.132 3.258) 9.727 4.143 ( 0.786 6.481 1.600) 6.722 5.239 ( -1.325 0.285 -0.481) 1.438 5.307 ( -2.667 0.529 -0.337) 2.739 5.779 ( 1.104 1.759 0.085) 2.079 5.822 ( -0.449 1.444 0.155) 1.520 6.044 ( 0.266 2.872 0.946) 3.036 6.308 ( -0.078 3.226 0.824) 3.331 6.353 ( -0.451 2.114 2.076) 2.997 6.400 ( 2.503 -0.802 -0.765) 2.738 6.475 ( 0.652 1.015 -0.519) 1.314 6.536 ( 0.745 -1.483 1.874) 2.504 6.662 ( -0.497 -0.183 -0.117) 0.542 6.716 ( -1.893 3.236 -2.870) 4.722 6.774 ( -1.575 -1.553 -0.541) 2.278 6.830 ( -0.899 0.615 0.674) 1.282 6.989 ( 1.521 2.046 -1.470) 2.943 7.092 ( 0.559 4.318 1.030) 4.474 7.137 ( 2.746 1.046 0.988) 3.100 7.200 ( -3.545 -2.513 3.574) 5.626 7.240 ( -2.002 3.689 -0.556) 4.234 7.428 ( -4.352 1.629 0.029) 4.647 7.521 ( 2.468 3.339 2.134) 4.669 7.635 ( 4.885 0.431 1.493) 5.126 7.682 ( 3.674 4.087 -6.571) 8.566 7.816 ( -1.642 4.278 -0.955) 4.680 7.993 ( 0.944 0.298 -2.369) 2.567 8.077 ( -0.095 0.390 3.401) 3.425 8.305 ( 1.954 5.451 0.934) 5.866 8.425 ( -0.901 -4.369 -1.665) 4.761 8.487 ( -1.205 -6.935 -0.185) 7.042 8.729 ( 0.355 -1.188 -7.991) 8.087 8.907 ( -3.824 3.811 -0.149) 5.401 9.037 ( -0.097 3.790 0.693) 3.855 9.250 ( 0.661 -3.536 6.927) 7.806 9.621 ( 0.335 -7.391 -2.777) 7.903 9.784 ( 0.357 -7.133 1.998) 7.416 9.832 ( -0.691 -7.598 0.070) 7.630 ======================= Grid point 87 (44/91) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 4.034 10.033 -4.534) 11.726 1.823 ( 1.558 10.459 0.731) 10.599 1.874 ( 3.670 5.633 0.499) 6.741 1.949 ( 3.322 6.027 0.632) 6.911 2.012 ( -1.772 4.728 -2.374) 5.579 2.079 ( -4.598 8.375 -0.684) 9.578 2.163 ( -0.151 5.112 -7.251) 8.873 2.284 ( 0.982 2.252 -4.696) 5.300 2.404 ( -0.373 3.547 -6.813) 7.690 2.494 ( 1.641 0.952 0.713) 2.027 2.596 ( 2.270 2.039 2.336) 3.843 2.662 ( -3.125 2.343 -3.140) 5.012 2.916 ( -2.813 -2.582 9.959) 10.666 3.033 ( 3.177 3.986 2.654) 5.747 3.087 ( -2.226 3.131 3.279) 5.051 3.213 ( 0.885 0.611 1.519) 1.862 3.323 ( -1.364 1.358 2.954) 3.526 3.479 ( -4.605 2.895 4.534) 7.082 3.624 ( 3.484 5.384 -7.681) 10.006 3.733 ( -0.299 6.631 0.162) 6.640 3.869 ( -2.210 13.029 -3.931) 13.788 4.032 ( -0.566 7.440 4.538) 8.733 4.102 ( 1.046 11.863 -1.539) 12.008 4.188 ( 1.490 9.290 1.772) 9.574 5.219 ( -0.283 0.794 0.007) 0.843 5.260 ( -1.668 0.723 -0.094) 1.821 5.790 ( -0.622 1.385 0.296) 1.547 5.821 ( 1.059 2.813 -1.269) 3.262 6.051 ( -0.097 2.986 0.552) 3.038 6.305 ( -1.226 2.334 1.440) 3.005 6.327 ( -1.538 2.240 0.752) 2.820 6.458 ( 0.536 1.437 -0.635) 1.660 6.505 ( 4.040 -1.051 0.251) 4.182 6.564 ( 0.857 -1.994 0.845) 2.329 6.586 ( -3.823 -1.022 -1.820) 4.355 6.674 ( -1.865 2.378 -3.295) 4.471 6.778 ( 2.986 0.569 -0.070) 3.040 6.840 ( -0.395 0.903 3.168) 3.318 7.020 ( 2.056 1.540 -0.059) 2.570 7.113 ( 0.143 3.007 0.159) 3.015 7.139 ( -3.652 -0.925 1.214) 3.958 7.203 ( 3.451 1.279 1.011) 3.817 7.222 ( 0.184 3.991 1.071) 4.136 7.333 ( -5.612 1.350 1.188) 5.893 7.540 ( -1.675 2.923 1.751) 3.796 7.678 ( -0.138 2.947 -1.305) 3.226 7.743 ( 3.401 -0.082 -1.298) 3.641 7.814 ( 3.593 6.704 -3.367) 8.318 7.995 ( 1.036 3.478 -2.560) 4.441 8.128 ( 3.351 -0.931 2.553) 4.314 8.311 ( -3.568 6.140 2.564) 7.550 8.404 ( 0.510 -5.804 -2.710) 6.426 8.461 ( -0.273 -8.996 -1.719) 9.163 8.668 ( -1.859 -0.491 -2.809) 3.404 8.867 ( -0.214 6.000 -1.059) 6.096 9.044 ( 0.667 1.899 -0.080) 2.014 9.298 ( -0.624 -4.014 6.510) 7.673 9.612 ( 0.685 -7.624 -2.748) 8.133 9.793 ( -0.512 -7.611 0.643) 7.655 9.822 ( -0.341 -6.194 0.641) 6.237 ======================= Grid point 88 (45/91) ======================= q-point: (-0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 1.321 12.351 -4.335) 13.156 1.777 ( -6.994 7.320 -0.368) 10.131 1.898 ( 1.300 5.855 0.989) 6.079 1.980 ( 0.718 6.765 0.194) 6.806 2.049 ( 0.494 4.073 -2.062) 4.592 2.061 ( 4.112 7.708 -1.819) 8.923 2.194 ( 7.124 4.976 -0.504) 8.704 2.276 ( 0.899 4.472 -1.883) 4.935 2.380 ( 3.114 4.027 -8.974) 10.317 2.490 ( -0.614 -0.942 -7.662) 7.744 2.532 ( -3.164 1.031 -3.875) 5.108 2.684 ( 0.324 1.672 6.179) 6.410 2.897 ( -3.895 -3.819 7.944) 9.636 3.044 ( -3.830 -0.632 5.507) 6.738 3.106 ( -0.725 12.917 2.245) 13.131 3.220 ( 0.870 4.071 2.993) 5.127 3.330 ( -3.754 -5.944 3.307) 7.769 3.441 ( 1.787 8.207 0.649) 8.424 3.647 ( 1.835 1.209 -4.193) 4.734 3.756 ( 4.174 9.916 -2.787) 11.114 3.820 ( -0.622 11.569 -2.983) 11.964 4.017 ( -3.483 1.479 4.288) 5.718 4.122 ( 1.198 17.069 -0.808) 17.130 4.200 ( -1.309 9.096 1.627) 9.333 5.227 ( 0.760 1.026 0.153) 1.286 5.262 ( 2.087 0.487 -0.032) 2.143 5.772 ( -0.791 2.345 -0.471) 2.519 5.831 ( 0.395 1.968 -0.613) 2.099 6.049 ( -0.416 2.968 0.477) 3.035 6.287 ( -0.802 1.584 0.813) 1.952 6.319 ( -0.548 1.514 0.769) 1.784 6.435 ( -1.738 2.894 -1.049) 3.535 6.494 ( -2.376 -0.410 0.137) 2.415 6.570 ( -0.528 -1.057 0.956) 1.521 6.606 ( 2.949 -2.479 -1.643) 4.188 6.644 ( 1.002 0.878 -2.710) 3.020 6.829 ( 2.594 0.534 -0.275) 2.663 6.870 ( 0.834 3.008 4.051) 5.114 7.054 ( 1.346 0.012 -1.777) 2.229 7.076 ( -1.933 2.396 1.543) 3.443 7.093 ( -2.753 2.659 1.018) 3.961 7.236 ( -4.381 1.626 1.701) 4.973 7.255 ( 2.340 2.817 1.099) 3.824 7.306 ( 4.813 0.739 1.009) 4.973 7.497 ( -3.225 3.193 -0.067) 4.538 7.636 ( -2.512 1.845 -2.128) 3.774 7.763 ( -0.529 1.380 0.250) 1.498 7.875 ( 3.817 5.783 -2.931) 7.523 7.991 ( 0.146 0.036 -2.656) 2.660 8.193 ( -2.346 3.824 4.537) 6.380 8.233 ( -1.955 2.304 0.932) 3.162 8.420 ( 3.107 -5.161 -2.981) 6.722 8.471 ( 2.217 -7.870 -1.590) 8.330 8.634 ( -0.024 -0.392 -2.975) 3.001 8.885 ( 2.483 7.441 -0.339) 7.851 9.061 ( 1.359 0.368 -0.385) 1.460 9.295 ( -4.113 -4.695 6.186) 8.787 9.617 ( 1.650 -7.196 -2.246) 7.716 9.774 ( -1.582 -6.408 0.369) 6.611 9.829 ( 0.420 -6.976 0.627) 7.017 ======================= Grid point 89 (46/91) ======================= q-point: (-0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -6.410 12.328 0.855) 13.921 1.706 ( 1.023 14.367 -1.751) 14.509 1.912 ( -0.672 4.194 -0.856) 4.333 1.972 ( -0.902 6.462 -3.291) 7.308 2.060 ( 2.795 3.525 -2.216) 5.015 2.134 ( 4.442 4.835 0.513) 6.585 2.262 ( 0.805 6.943 -6.111) 9.284 2.323 ( 3.283 5.660 0.305) 6.550 2.370 ( 2.532 -2.866 -7.252) 8.199 2.439 ( -2.179 1.592 -3.276) 4.244 2.521 ( 6.448 0.691 -3.303) 7.278 2.703 ( -1.165 2.532 2.564) 3.787 2.893 ( -2.993 -3.706 8.948) 10.137 2.990 ( -6.008 -0.309 4.048) 7.251 3.048 ( -3.385 6.854 0.797) 7.686 3.250 ( -5.310 7.670 4.582) 10.393 3.319 ( 5.600 6.902 4.149) 9.809 3.486 ( 0.488 -4.388 -1.971) 4.835 3.668 ( 3.330 8.965 -0.219) 9.566 3.783 ( 0.019 12.374 -6.461) 13.960 3.834 ( 3.914 5.189 -1.311) 6.631 3.988 ( -1.517 3.532 3.264) 5.043 4.115 ( -1.928 15.777 0.274) 15.897 4.174 ( -2.294 7.815 2.119) 8.416 5.247 ( 1.272 0.663 -0.316) 1.468 5.314 ( 2.779 0.183 -0.205) 2.792 5.761 ( -0.113 2.580 -0.457) 2.622 5.829 ( -0.430 0.863 0.541) 1.105 6.042 ( -0.744 2.774 0.861) 2.998 6.292 ( 0.659 2.092 0.320) 2.217 6.308 ( -0.720 0.952 0.706) 1.387 6.406 ( -0.922 1.050 -0.320) 1.434 6.459 ( -1.313 0.806 0.105) 1.544 6.562 ( -1.363 -0.441 1.840) 2.332 6.627 ( 1.114 1.007 -1.277) 1.971 6.674 ( 3.350 -1.923 -2.038) 4.367 6.847 ( -0.391 1.704 -1.991) 2.650 6.900 ( -0.646 2.931 3.684) 4.752 7.045 ( 0.836 -0.986 -3.029) 3.293 7.062 ( -2.391 4.067 2.674) 5.423 7.080 ( -0.181 3.340 0.463) 3.377 7.188 ( -0.444 -0.645 2.428) 2.551 7.329 ( 3.688 2.639 2.225) 5.052 7.371 ( -0.077 0.008 0.162) 0.180 7.443 ( 0.079 5.415 -2.169) 5.833 7.582 ( -1.824 -0.859 -1.145) 2.319 7.731 ( -2.228 3.787 -1.306) 4.583 7.897 ( 0.086 5.434 -1.988) 5.787 7.978 ( 0.551 -7.622 -2.014) 7.903 8.126 ( -4.815 8.020 4.840) 10.532 8.245 ( 0.115 2.338 0.933) 2.520 8.457 ( 1.680 -4.323 -1.928) 5.023 8.501 ( 0.756 -6.645 0.303) 6.694 8.648 ( 5.928 -0.076 -8.185) 10.106 8.939 ( 2.896 7.230 0.040) 7.789 9.084 ( 1.051 -0.031 -0.855) 1.355 9.234 ( -6.269 -4.594 7.175) 10.578 9.634 ( 1.342 -6.819 -2.395) 7.351 9.753 ( -0.985 -6.171 1.668) 6.468 9.839 ( 0.297 -7.901 0.280) 7.911 ======================= Grid point 90 (47/91) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -0.704 9.026 0.040) 9.053 1.930 ( 0.759 3.014 -1.902) 3.644 1.979 ( -0.168 7.051 -1.495) 7.210 2.054 ( -0.349 5.510 -3.903) 6.762 2.152 ( 1.142 2.574 -1.467) 3.175 2.202 ( 0.794 -1.872 -0.892) 2.221 2.309 ( -0.482 1.126 -2.601) 2.875 2.346 ( 2.575 2.504 -4.594) 5.831 2.439 ( -0.070 2.244 -1.122) 2.510 2.451 ( 1.741 2.783 1.366) 3.556 2.624 ( 4.684 -1.619 -1.549) 5.192 2.743 ( -0.954 1.155 -2.343) 2.781 2.782 ( -2.031 -3.643 9.092) 10.003 2.918 ( -3.088 -3.543 4.225) 6.320 2.990 ( -0.658 -2.993 0.699) 3.143 3.158 ( -3.179 -10.483 -5.211) 12.131 3.459 ( 0.769 5.052 7.595) 9.154 3.538 ( 2.399 3.062 6.041) 7.185 3.841 ( -3.222 5.646 -6.090) 8.908 3.876 ( -1.934 3.334 -3.558) 5.245 4.131 ( 6.996 14.779 1.046) 16.385 4.234 ( 5.084 9.775 -1.208) 11.084 4.298 ( -5.093 10.632 0.273) 11.792 4.360 ( -3.782 11.934 3.974) 13.134 5.271 ( -0.223 1.118 -0.384) 1.203 5.342 ( -0.023 -0.179 -0.301) 0.351 5.799 ( 0.018 1.560 0.346) 1.598 5.845 ( 0.046 1.129 0.408) 1.201 6.122 ( -0.310 5.585 1.539) 5.801 6.325 ( 0.479 0.731 0.698) 1.119 6.378 ( 0.355 -0.941 -0.331) 1.059 6.390 ( 1.221 4.022 0.096) 4.204 6.498 ( 0.635 2.188 -0.373) 2.309 6.569 ( -2.146 2.864 1.530) 3.892 6.635 ( -0.117 -0.461 0.401) 0.622 6.701 ( 3.318 -1.617 0.405) 3.713 6.810 ( -1.366 -1.507 -3.760) 4.275 6.900 ( -2.670 0.192 -0.396) 2.706 7.010 ( 0.009 -1.012 -1.226) 1.590 7.099 ( -0.220 -1.812 1.086) 2.124 7.141 ( -0.087 -0.081 3.757) 3.759 7.166 ( -1.836 2.009 3.755) 4.638 7.335 ( -2.014 1.350 -1.515) 2.859 7.442 ( 3.136 -0.071 1.717) 3.576 7.499 ( 0.202 -1.770 -1.120) 2.104 7.623 ( 2.806 6.398 -0.508) 7.005 7.758 ( -3.251 -2.100 -2.613) 4.670 7.769 ( 3.394 -3.904 -0.915) 5.253 7.976 ( -0.520 2.883 -1.640) 3.357 8.179 ( -2.477 1.572 1.616) 3.350 8.275 ( 1.625 -2.278 -3.520) 4.497 8.396 ( -0.283 -2.015 -0.875) 2.215 8.482 ( -0.243 3.699 1.525) 4.008 8.698 ( 4.099 -1.613 -5.108) 6.745 9.027 ( -2.741 1.652 -0.017) 3.200 9.130 ( -0.483 1.975 1.689) 2.643 9.155 ( -0.129 1.261 4.459) 4.636 9.500 ( 0.117 -6.419 -2.290) 6.816 9.654 ( 0.159 -3.966 1.309) 4.179 9.706 ( -0.264 -5.295 0.243) 5.307 ======================= Grid point 91 (48/91) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 2.500 8.028 -1.557) 8.551 1.923 ( 0.138 2.633 -0.898) 2.785 1.979 ( 0.665 5.938 -1.594) 6.184 2.036 ( 1.322 6.180 -3.386) 7.170 2.147 ( -0.949 3.368 -1.630) 3.860 2.203 ( 0.539 -1.117 -0.870) 1.515 2.266 ( -1.328 1.920 -5.526) 5.999 2.351 ( -0.041 3.357 -1.395) 3.635 2.451 ( 1.715 2.224 -1.550) 3.208 2.513 ( 3.143 1.742 4.091) 5.445 2.594 ( -3.532 1.807 -2.791) 4.851 2.748 ( 1.063 -2.589 -5.435) 6.113 2.825 ( -1.831 -2.867 8.581) 9.231 2.894 ( -0.236 -5.744 6.643) 8.786 3.027 ( 3.181 -6.031 -0.200) 6.821 3.082 ( -2.373 -6.757 -0.449) 7.175 3.516 ( -0.015 6.725 8.216) 10.617 3.552 ( -2.962 4.378 -1.158) 5.411 3.774 ( -1.005 5.684 -5.158) 7.741 3.824 ( -0.931 1.601 0.882) 2.051 4.176 ( -1.464 10.563 -3.590) 11.252 4.213 ( -4.304 9.255 0.739) 10.233 4.323 ( 5.425 12.914 0.202) 14.008 4.378 ( 2.345 12.854 3.905) 13.637 5.256 ( -0.958 1.327 -0.288) 1.662 5.317 ( -2.204 0.237 -0.203) 2.226 5.810 ( 0.723 1.466 0.365) 1.675 5.855 ( 0.742 1.400 -0.031) 1.584 6.130 ( 0.029 5.613 1.384) 5.781 6.346 ( 0.967 0.409 0.904) 1.385 6.392 ( 0.374 0.123 -0.272) 0.479 6.409 ( 1.268 2.759 0.144) 3.040 6.503 ( -0.008 1.804 -0.383) 1.844 6.539 ( -1.213 1.740 1.147) 2.411 6.633 ( -1.705 -2.043 1.130) 2.891 6.732 ( -0.263 -1.514 -1.376) 2.062 6.776 ( 1.101 1.961 -3.261) 3.961 6.841 ( -2.292 0.462 0.624) 2.420 7.003 ( 0.267 -0.789 -0.628) 1.043 7.108 ( -1.609 -5.563 2.422) 6.277 7.154 ( 0.293 1.894 2.239) 2.947 7.179 ( 1.488 2.743 1.676) 3.542 7.301 ( -1.131 2.090 -0.023) 2.377 7.438 ( -3.933 0.043 0.698) 3.995 7.513 ( 1.593 -2.188 0.718) 2.800 7.700 ( 0.927 -1.460 -1.520) 2.303 7.722 ( 3.184 3.507 0.683) 4.786 7.845 ( 6.303 1.409 -4.083) 7.641 7.973 ( 1.872 0.960 -1.309) 2.478 8.152 ( -1.065 2.773 0.737) 3.060 8.276 ( 0.934 -5.550 -4.241) 7.047 8.371 ( -1.604 -2.764 -1.831) 3.683 8.472 ( -2.050 4.978 2.840) 6.087 8.697 ( -1.324 -2.074 -2.911) 3.812 8.985 ( -1.013 3.885 -0.339) 4.029 9.127 ( -1.253 5.023 0.691) 5.223 9.187 ( 0.731 -2.818 4.928) 5.724 9.480 ( -0.529 -6.767 -2.247) 7.150 9.669 ( 0.428 -4.225 0.936) 4.349 9.709 ( 0.383 -4.819 0.346) 4.846 ======================= Grid point 92 (49/91) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 3.324 6.464 -3.292) 7.980 1.917 ( -0.417 1.089 -2.107) 2.408 1.981 ( 0.855 4.400 -1.604) 4.761 2.074 ( 3.531 5.949 0.450) 6.933 2.109 ( -1.247 5.134 -1.012) 5.380 2.211 ( 0.792 0.331 -4.074) 4.163 2.233 ( 1.586 4.843 -1.651) 5.357 2.319 ( -2.967 3.365 0.860) 4.568 2.460 ( 1.453 1.476 -5.561) 5.935 2.520 ( -1.059 1.733 -3.136) 3.737 2.598 ( 1.219 -1.001 -0.145) 1.584 2.676 ( -3.037 -0.555 -1.963) 3.658 2.822 ( -3.422 -5.819 7.878) 10.374 2.970 ( 1.270 -6.218 5.923) 8.681 3.061 ( 1.014 -5.429 1.075) 5.627 3.106 ( 3.193 -6.774 4.942) 8.973 3.445 ( -5.637 7.097 -3.161) 9.599 3.552 ( -1.325 4.177 1.523) 4.639 3.734 ( 0.869 6.067 -0.914) 6.196 3.863 ( 2.625 3.790 3.338) 5.692 4.110 ( -1.734 10.356 -5.198) 11.716 4.141 ( -3.724 6.967 -0.698) 7.931 4.404 ( 2.606 14.079 1.414) 14.388 4.443 ( 1.565 12.955 2.586) 13.303 5.244 ( 0.013 1.569 0.168) 1.578 5.277 ( -1.527 0.794 -0.043) 1.721 5.821 ( 0.152 1.716 0.088) 1.725 5.867 ( 0.623 1.563 -0.573) 1.777 6.135 ( -0.291 5.399 0.904) 5.481 6.358 ( -0.243 2.338 0.600) 2.426 6.376 ( -1.698 2.459 0.301) 3.004 6.449 ( 2.899 -2.003 -0.509) 3.560 6.495 ( -0.113 0.773 -0.489) 0.922 6.546 ( -0.557 -0.503 0.970) 1.226 6.566 ( -3.041 -0.116 -0.174) 3.049 6.736 ( -1.358 3.646 -4.442) 5.905 6.751 ( 1.908 -2.507 0.245) 3.160 6.863 ( 2.035 0.794 2.279) 3.156 7.010 ( 0.382 -2.456 0.613) 2.560 7.086 ( -1.696 -3.503 1.931) 4.344 7.171 ( -0.320 2.864 1.608) 3.300 7.229 ( 3.138 1.483 0.564) 3.516 7.293 ( 0.031 2.222 1.301) 2.575 7.359 ( -5.233 1.749 1.756) 5.790 7.528 ( 0.131 -3.064 -0.909) 3.199 7.684 ( -0.542 -4.753 -0.351) 4.797 7.772 ( -0.438 5.689 0.638) 5.742 7.934 ( 6.492 5.547 -5.896) 10.377 8.040 ( 4.301 1.141 -1.077) 4.578 8.153 ( 1.408 2.090 -0.047) 2.521 8.255 ( -0.080 -7.648 -3.596) 8.451 8.325 ( -1.290 -4.994 -2.048) 5.550 8.439 ( -3.291 5.772 2.841) 7.226 8.647 ( -2.192 -1.598 -0.234) 2.723 8.987 ( 1.544 5.765 -0.954) 6.044 9.102 ( -1.673 3.877 1.015) 4.343 9.227 ( -0.220 -3.261 4.182) 5.308 9.461 ( 0.248 -7.433 -1.975) 7.695 9.678 ( -0.044 -3.981 0.512) 4.014 9.719 ( 0.179 -4.220 0.458) 4.248 ======================= Grid point 93 (50/91) ======================= q-point: (-0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -0.430 3.401 -1.866) 3.903 1.886 ( 1.320 6.231 -3.188) 7.122 1.984 ( 0.616 3.256 -1.235) 3.536 2.108 ( 1.512 6.338 -0.743) 6.558 2.129 ( 0.430 4.095 0.006) 4.117 2.200 ( -0.123 0.089 -2.064) 2.070 2.249 ( 1.542 6.512 -0.222) 6.696 2.326 ( 4.123 0.665 0.106) 4.178 2.441 ( -0.092 1.865 -4.347) 4.731 2.467 ( -0.981 -0.929 -8.428) 8.536 2.538 ( -2.027 -0.442 -4.665) 5.105 2.685 ( 0.141 -0.862 6.247) 6.308 2.820 ( -1.487 -2.810 4.855) 5.803 2.977 ( -3.103 -4.294 6.067) 8.055 3.114 ( 0.726 -8.863 2.257) 9.175 3.196 ( 1.395 -7.426 5.535) 9.367 3.342 ( -1.646 7.624 -0.814) 7.842 3.493 ( -2.725 1.561 -3.987) 5.075 3.800 ( 3.526 8.816 5.152) 10.802 3.952 ( 5.057 7.508 0.248) 9.056 4.056 ( -2.787 6.900 -6.280) 9.737 4.065 ( -0.541 8.941 -1.336) 9.056 4.433 ( -1.156 13.001 2.738) 13.336 4.454 ( -1.614 13.332 1.434) 13.506 5.253 ( 0.393 1.454 0.386) 1.555 5.277 ( 1.802 0.800 -0.076) 1.973 5.816 ( -0.530 2.068 -0.149) 2.140 5.866 ( -0.438 1.271 -0.400) 1.402 6.131 ( -0.670 5.156 0.715) 5.248 6.339 ( -1.244 3.086 -0.316) 3.343 6.361 ( -0.496 2.716 0.528) 2.811 6.458 ( -2.717 -2.296 -0.335) 3.574 6.493 ( 0.066 1.397 -0.583) 1.515 6.524 ( 2.115 -2.327 -0.106) 3.147 6.581 ( 1.034 0.844 1.414) 1.944 6.694 ( -0.329 3.273 -3.623) 4.894 6.798 ( 2.887 -3.217 0.122) 4.324 6.908 ( 1.216 0.330 1.400) 1.884 7.011 ( -0.625 -2.922 -0.037) 2.989 7.082 ( -0.348 -2.362 3.214) 4.004 7.163 ( -1.183 4.174 1.715) 4.665 7.264 ( -5.951 2.161 2.157) 6.689 7.296 ( 3.490 0.791 -0.203) 3.584 7.328 ( 2.372 1.693 2.111) 3.599 7.508 ( -1.188 -1.689 -2.120) 2.959 7.674 ( -0.545 -2.909 -1.300) 3.233 7.736 ( -2.163 2.302 -0.153) 3.162 7.985 ( -0.059 4.095 -2.353) 4.723 8.014 ( -3.212 2.154 -3.257) 5.056 8.218 ( 4.379 -0.866 -1.825) 4.823 8.248 ( -0.749 -2.432 0.455) 2.585 8.328 ( 3.990 -4.797 -2.477) 6.713 8.418 ( 0.194 4.116 1.579) 4.413 8.619 ( -0.565 -1.317 -0.357) 1.477 9.024 ( 2.719 6.044 -1.117) 6.721 9.089 ( -0.368 2.712 1.545) 3.143 9.218 ( -3.402 -3.213 3.719) 5.977 9.471 ( 1.876 -7.409 -1.514) 7.791 9.673 ( -0.852 -3.574 0.426) 3.699 9.719 ( -0.388 -4.266 0.457) 4.308 ======================= Grid point 94 (51/91) ======================= q-point: (-0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -2.773 7.406 -0.315) 7.914 1.912 ( 2.180 5.354 -2.198) 6.184 1.989 ( 0.477 3.612 -1.162) 3.824 2.098 ( -1.780 6.520 -2.824) 7.325 2.136 ( 1.758 4.506 -1.687) 5.122 2.186 ( 0.233 -1.379 0.222) 1.416 2.309 ( 4.227 0.408 -3.645) 5.596 2.351 ( -1.361 1.000 -2.677) 3.166 2.413 ( 0.831 4.406 -2.219) 5.002 2.455 ( 1.721 -0.715 -2.368) 3.014 2.524 ( 4.499 0.043 -2.534) 5.164 2.728 ( 0.069 -0.532 5.468) 5.494 2.812 ( -2.160 -1.902 2.807) 4.020 2.952 ( -3.853 -3.604 5.311) 7.486 3.048 ( -5.457 -4.381 0.123) 6.999 3.227 ( -0.254 -10.368 -2.410) 10.648 3.388 ( 2.520 3.684 4.833) 6.579 3.458 ( 0.669 3.526 3.645) 5.116 3.893 ( 2.124 5.467 2.099) 6.229 3.951 ( -3.784 5.300 -6.651) 9.308 4.009 ( 4.271 14.407 -2.468) 15.228 4.128 ( 5.980 8.821 0.622) 10.675 4.387 ( -4.800 11.835 1.655) 12.878 4.418 ( -3.638 12.673 2.461) 13.413 5.266 ( 0.765 1.225 -0.057) 1.445 5.320 ( 2.290 0.170 -0.159) 2.302 5.805 ( -0.604 1.886 0.052) 1.981 5.851 ( -0.831 1.113 0.186) 1.401 6.123 ( -0.710 5.210 1.166) 5.385 6.322 ( -0.481 1.685 0.157) 1.759 6.366 ( 0.972 3.766 0.079) 3.890 6.401 ( -2.455 -1.383 -0.525) 2.866 6.491 ( 0.279 2.154 -0.510) 2.231 6.574 ( 1.150 0.784 1.903) 2.358 6.610 ( 1.843 -1.323 0.740) 2.387 6.674 ( 0.262 1.920 -2.590) 3.235 6.834 ( 1.236 -3.261 -2.672) 4.393 6.925 ( -0.564 0.114 1.785) 1.875 7.003 ( 0.485 -2.442 -0.557) 2.551 7.105 ( 0.070 -3.578 3.514) 5.016 7.152 ( -2.597 3.689 1.097) 4.643 7.175 ( -3.296 3.436 3.246) 5.762 7.363 ( 3.869 0.466 -1.242) 4.091 7.374 ( -0.146 0.490 2.293) 2.349 7.480 ( 0.895 -0.667 -2.043) 2.328 7.633 ( -1.879 4.593 -1.849) 5.296 7.730 ( 1.227 -5.037 -0.041) 5.185 7.865 ( -6.472 -1.293 -2.153) 6.943 7.997 ( -0.105 4.242 -2.267) 4.811 8.216 ( -2.646 -0.497 1.927) 3.311 8.263 ( 1.842 0.074 -2.332) 2.972 8.389 ( 2.718 -2.679 -2.505) 4.565 8.455 ( 1.741 2.678 1.893) 3.713 8.638 ( 4.093 -1.076 -3.369) 5.410 9.050 ( 0.863 2.826 -1.629) 3.375 9.117 ( 1.581 4.256 2.379) 5.126 9.163 ( -4.623 -2.506 4.221) 6.743 9.497 ( 1.614 -6.892 -1.704) 7.281 9.656 ( -1.045 -3.467 0.777) 3.703 9.713 ( -0.563 -4.917 0.412) 4.966 ======================= Grid point 95 (52/91) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -0.111 3.208 -1.411) 3.507 1.944 ( -0.220 -0.653 -1.134) 1.327 2.044 ( 0.298 2.279 -0.931) 2.480 2.098 ( 0.213 -2.659 -1.592) 3.107 2.210 ( -0.033 5.610 -1.874) 5.914 2.256 ( 0.271 3.552 -0.932) 3.682 2.311 ( 0.430 -1.235 -2.766) 3.060 2.330 ( 2.219 -2.387 -0.927) 3.389 2.501 ( 2.435 3.725 -1.278) 4.630 2.550 ( 0.168 5.478 1.201) 5.610 2.577 ( 4.023 -1.895 0.458) 4.471 2.694 ( -0.134 -6.180 4.056) 7.394 2.757 ( -3.763 1.411 -2.797) 4.897 2.823 ( -3.210 -4.735 0.506) 5.743 2.955 ( -1.437 -0.640 1.208) 1.983 2.988 ( -1.057 -4.945 -0.584) 5.090 3.537 ( 1.721 2.687 7.212) 7.886 3.565 ( 2.134 -0.133 6.872) 7.197 3.924 ( -3.166 2.420 -4.719) 6.176 3.930 ( -2.563 1.656 -4.358) 5.320 4.336 ( 5.436 5.539 -3.401) 8.473 4.360 ( 5.215 2.838 -3.417) 6.851 4.486 ( -4.651 6.696 4.290) 9.213 4.521 ( -3.554 3.464 4.240) 6.528 5.299 ( -0.185 1.587 -0.094) 1.601 5.328 ( -0.087 -1.202 -0.070) 1.207 5.831 ( 0.035 1.603 0.078) 1.606 5.854 ( 0.148 -0.433 0.003) 0.458 6.240 ( 0.146 5.782 0.910) 5.855 6.327 ( 0.336 -2.486 -0.873) 2.656 6.371 ( 0.165 2.217 1.031) 2.450 6.427 ( 0.204 -1.606 1.295) 2.073 6.538 ( 0.112 2.313 -0.114) 2.319 6.586 ( -0.547 -1.800 0.113) 1.885 6.657 ( 1.291 3.352 -0.737) 3.667 6.722 ( -1.180 0.377 -0.067) 1.240 6.769 ( 1.825 1.685 -1.149) 2.737 6.882 ( -1.286 -4.038 1.300) 4.433 6.977 ( 0.295 -1.462 -0.019) 1.492 6.998 ( -1.490 -3.531 0.356) 3.849 7.181 ( -1.323 2.550 1.748) 3.362 7.210 ( -1.625 0.303 2.381) 2.899 7.367 ( -0.889 2.450 -0.297) 2.623 7.420 ( 0.870 -2.194 1.188) 2.642 7.503 ( 0.948 2.449 -0.194) 2.633 7.596 ( 0.466 -6.784 0.305) 6.807 7.737 ( 2.261 4.344 -1.264) 5.058 7.790 ( 1.591 -0.719 -2.346) 2.924 8.037 ( -1.272 3.497 -1.423) 3.984 8.120 ( -0.732 -4.796 -1.427) 5.057 8.294 ( 0.048 2.674 -3.137) 4.122 8.348 ( 0.239 -2.667 -2.976) 4.003 8.575 ( 0.449 4.578 1.825) 4.948 8.651 ( 1.733 -3.109 -0.399) 3.582 9.060 ( -1.420 1.773 1.235) 2.586 9.098 ( -0.514 -2.026 2.801) 3.495 9.260 ( 0.038 5.913 -0.007) 5.913 9.378 ( 0.026 -6.016 -1.195) 6.134 9.610 ( -0.059 -0.547 0.554) 0.781 9.629 ( -0.215 -2.478 0.305) 2.506 ======================= Grid point 96 (53/91) ======================= q-point: ( 0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 1.064 2.504 -2.193) 3.494 1.933 ( 0.204 -0.487 -1.872) 1.945 2.043 ( 0.259 2.616 -0.875) 2.770 2.098 ( 0.718 -2.088 -1.290) 2.557 2.201 ( 0.038 4.433 -1.271) 4.612 2.248 ( -0.159 1.693 -0.772) 1.868 2.295 ( 0.136 2.634 -3.848) 4.665 2.368 ( 2.333 -2.347 -1.372) 3.583 2.502 ( -1.145 4.021 -1.003) 4.299 2.578 ( 0.813 0.879 -0.850) 1.468 2.615 ( -0.487 2.087 4.126) 4.650 2.683 ( -1.390 -1.261 -3.860) 4.292 2.744 ( 2.280 -4.933 3.178) 6.295 2.759 ( -3.779 -6.194 2.954) 7.834 2.957 ( 0.743 -0.832 1.227) 1.659 2.981 ( -0.304 -3.108 1.761) 3.585 3.601 ( 0.415 2.709 4.578) 5.336 3.621 ( -0.217 1.065 2.787) 2.992 3.851 ( -2.474 1.935 -3.467) 4.678 3.855 ( -1.795 1.359 0.518) 2.310 4.326 ( -2.105 4.294 -4.334) 6.455 4.338 ( -2.936 3.080 -3.855) 5.742 4.531 ( 4.097 6.473 3.587) 8.459 4.554 ( 2.965 4.180 3.746) 6.348 5.286 ( -0.956 1.573 -0.063) 1.842 5.311 ( -1.484 -0.824 -0.041) 1.698 5.841 ( 0.865 1.602 0.053) 1.822 5.864 ( 0.862 -0.493 -0.054) 0.994 6.250 ( 0.141 5.944 0.913) 6.015 6.336 ( 1.110 -2.156 -1.134) 2.677 6.393 ( 1.308 1.086 0.822) 1.888 6.434 ( -0.371 -1.521 1.359) 2.074 6.529 ( -1.022 1.172 0.260) 1.576 6.552 ( -2.347 -0.715 0.237) 2.464 6.650 ( -2.134 3.528 0.202) 4.128 6.704 ( 0.014 -1.637 -1.836) 2.459 6.814 ( 3.097 2.421 -0.121) 3.933 6.852 ( -1.955 0.097 -0.257) 1.974 6.966 ( -1.410 -2.029 0.353) 2.496 6.990 ( 0.339 -4.823 1.401) 5.034 7.194 ( 1.405 1.995 0.952) 2.620 7.217 ( 0.898 0.284 1.239) 1.556 7.341 ( -1.698 2.850 0.664) 3.383 7.411 ( -2.209 -3.369 1.555) 4.318 7.508 ( -0.492 2.678 0.343) 2.745 7.595 ( -0.771 -5.620 0.640) 5.709 7.820 ( 6.271 4.242 -0.546) 7.590 7.870 ( 8.083 -0.425 -2.838) 8.577 8.014 ( 0.259 3.372 -2.240) 4.056 8.105 ( 0.353 -5.361 -2.027) 5.742 8.261 ( -1.395 2.456 -3.467) 4.472 8.314 ( -1.951 -2.777 -2.825) 4.416 8.572 ( -2.060 4.474 2.386) 5.473 8.646 ( -2.114 -3.116 0.654) 3.822 9.058 ( 0.649 3.524 0.795) 3.670 9.124 ( 1.331 -3.105 2.460) 4.179 9.239 ( -2.143 5.592 0.095) 5.989 9.354 ( -1.532 -6.058 -1.197) 6.362 9.621 ( 0.726 -0.669 0.480) 1.098 9.639 ( 0.813 -2.303 0.370) 2.470 ======================= Grid point 97 (54/91) ======================= q-point: ( 0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 1.258 1.455 -2.820) 3.414 1.933 ( 1.374 0.069 -2.688) 3.019 2.043 ( 0.276 3.016 -0.817) 3.137 2.107 ( 0.819 -2.857 -0.463) 3.008 2.195 ( 0.285 4.166 -0.809) 4.253 2.253 ( 0.876 -1.293 -1.982) 2.523 2.285 ( 2.105 6.732 -2.762) 7.574 2.391 ( 1.034 -1.207 -1.752) 2.365 2.465 ( -1.475 2.275 -2.874) 3.952 2.532 ( -2.848 -2.011 -3.696) 5.081 2.590 ( -2.971 1.676 -0.216) 3.418 2.657 ( -3.746 -3.162 2.370) 5.445 2.747 ( 2.654 1.255 4.928) 5.736 2.840 ( 3.273 -6.415 5.569) 9.103 2.975 ( -0.349 -1.517 1.876) 2.438 3.001 ( 0.682 -3.706 3.962) 5.468 3.555 ( -4.174 3.858 -3.976) 6.936 3.595 ( -3.077 -0.051 -3.308) 4.518 3.844 ( 1.933 4.401 4.998) 6.934 3.893 ( 2.852 -0.471 6.181) 6.824 4.255 ( -2.094 4.000 -4.660) 6.488 4.260 ( -2.130 3.530 -5.312) 6.724 4.609 ( 1.862 5.916 2.577) 6.716 4.624 ( 1.641 4.495 2.761) 5.524 5.273 ( -0.237 1.170 0.161) 1.204 5.286 ( -0.975 -0.037 0.091) 0.980 5.855 ( 0.497 1.607 -0.159) 1.690 5.878 ( 0.465 -0.428 -0.240) 0.676 6.252 ( -0.368 6.010 0.391) 6.034 6.352 ( 1.316 -3.365 -1.141) 3.789 6.412 ( -0.076 1.230 0.369) 1.287 6.429 ( -0.855 -0.341 0.533) 1.064 6.509 ( -1.000 0.262 0.377) 1.100 6.520 ( -1.371 -1.015 0.785) 1.878 6.617 ( -0.745 4.308 0.070) 4.372 6.697 ( 0.185 -3.176 -0.217) 3.189 6.810 ( -1.310 3.434 -2.283) 4.327 6.860 ( 1.256 -1.408 -0.371) 1.923 6.962 ( 0.252 -0.606 1.987) 2.092 7.008 ( 0.411 -4.043 1.189) 4.234 7.226 ( 1.019 2.376 1.087) 2.804 7.251 ( 2.175 0.167 0.468) 2.231 7.322 ( -0.947 1.874 1.090) 2.366 7.374 ( -2.892 -1.938 2.133) 4.083 7.497 ( -0.482 1.931 -0.450) 2.040 7.579 ( -1.393 -5.275 1.073) 5.561 7.893 ( 0.278 6.291 -0.327) 6.306 8.007 ( 4.656 -4.213 -1.426) 6.439 8.037 ( 5.819 4.359 -4.762) 8.691 8.124 ( 5.261 -4.517 -4.009) 8.010 8.202 ( -2.422 1.935 -2.312) 3.867 8.248 ( -2.952 -2.881 -1.718) 4.468 8.538 ( -3.040 4.120 2.738) 5.806 8.605 ( -2.695 -2.702 1.811) 4.224 9.087 ( 1.789 4.304 0.120) 4.662 9.161 ( 0.250 -3.158 2.229) 3.874 9.198 ( -1.645 5.400 0.165) 5.647 9.321 ( -0.769 -6.738 -0.951) 6.848 9.635 ( 0.318 -0.422 0.455) 0.697 9.655 ( 0.403 -2.222 0.449) 2.303 ======================= Grid point 98 (55/91) ======================= q-point: (-0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 1.271 1.742 -2.578) 3.361 1.944 ( 1.415 0.128 -2.355) 2.750 2.043 ( 0.275 3.068 -0.756) 3.172 2.116 ( 0.119 -4.182 -0.056) 4.184 2.206 ( 1.391 4.067 -1.053) 4.426 2.247 ( 0.750 2.375 -2.807) 3.753 2.325 ( 0.861 2.165 -1.450) 2.745 2.381 ( 1.184 3.223 -1.322) 3.679 2.426 ( -1.629 -2.401 -6.357) 6.988 2.452 ( -0.681 -0.923 -1.588) 1.959 2.549 ( -1.280 2.694 0.900) 3.115 2.636 ( -0.193 -4.601 3.327) 5.682 2.821 ( 1.423 3.200 3.307) 4.817 2.909 ( -0.241 -3.790 4.805) 6.125 2.975 ( -0.648 -2.319 1.736) 2.968 3.040 ( -0.118 -6.762 4.638) 8.201 3.461 ( -2.593 4.117 -2.014) 5.266 3.507 ( -2.781 -0.619 -3.061) 4.181 3.940 ( 3.139 5.131 5.892) 8.420 3.999 ( 3.145 -0.806 5.406) 6.306 4.193 ( -0.101 5.024 -6.232) 8.005 4.209 ( 1.149 3.507 -6.277) 7.282 4.625 ( -2.028 5.649 2.702) 6.583 4.638 ( -1.879 4.530 2.303) 5.418 5.278 ( 0.432 0.948 0.293) 1.082 5.287 ( 1.140 0.074 0.097) 1.147 5.854 ( -0.483 1.629 -0.264) 1.720 5.875 ( -0.529 -0.364 -0.263) 0.694 6.244 ( -0.618 6.011 0.113) 6.043 6.359 ( -0.026 -4.962 -1.402) 5.157 6.397 ( -1.452 1.738 0.782) 2.396 6.412 ( -0.860 0.748 0.264) 1.171 6.511 ( 0.732 0.246 0.376) 0.859 6.514 ( 0.757 0.266 0.290) 0.853 6.626 ( 1.018 3.743 0.589) 3.923 6.714 ( 1.593 -4.544 -0.068) 4.816 6.776 ( -0.740 4.590 -2.223) 5.153 6.869 ( 0.304 -4.051 0.066) 4.063 6.979 ( -0.018 0.203 1.233) 1.250 7.016 ( -0.297 -3.291 1.258) 3.536 7.242 ( -0.492 3.530 1.889) 4.034 7.289 ( -1.254 -0.781 2.267) 2.706 7.315 ( 0.938 1.735 0.128) 1.977 7.348 ( -0.192 -0.616 1.396) 1.538 7.488 ( 0.008 1.403 -1.096) 1.780 7.566 ( -0.370 -5.523 0.668) 5.575 7.842 ( -3.911 6.241 -1.935) 7.615 7.959 ( -5.558 -4.868 -1.920) 7.634 8.097 ( 0.878 4.422 -3.658) 5.806 8.168 ( -0.448 -2.633 -1.977) 3.323 8.237 ( 5.191 0.050 -1.819) 5.501 8.254 ( 7.229 -2.288 -2.934) 8.130 8.511 ( -1.201 4.234 2.628) 5.126 8.579 ( -1.030 -2.693 1.826) 3.413 9.103 ( -0.629 2.705 0.066) 2.778 9.150 ( -2.239 -1.471 2.262) 3.506 9.198 ( 1.337 5.270 0.152) 5.439 9.328 ( 1.965 -7.017 -0.689) 7.319 9.635 ( -0.678 -0.299 0.460) 0.872 9.655 ( -0.630 -2.205 0.462) 2.340 ======================= Grid point 99 (56/91) ======================= q-point: (-0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.171 2.657 -1.707) 3.162 1.951 ( 0.454 -0.164 -1.362) 1.445 2.043 ( 0.340 2.531 -0.858) 2.694 2.109 ( -0.389 -4.003 -0.932) 4.129 2.219 ( 0.594 5.346 -1.543) 5.596 2.252 ( 1.062 5.263 -1.947) 5.711 2.307 ( 0.704 -1.852 -1.661) 2.585 2.339 ( -2.161 -3.070 -3.181) 4.921 2.449 ( 4.381 2.328 -2.188) 5.422 2.490 ( 4.153 -0.282 -0.129) 4.165 2.545 ( -0.230 4.844 1.201) 4.996 2.667 ( 0.704 -5.451 3.326) 6.424 2.830 ( -1.707 2.516 0.033) 3.041 2.881 ( -4.139 -2.541 1.417) 5.059 2.971 ( -1.192 -1.831 2.123) 3.046 3.031 ( -2.456 -7.557 0.087) 7.946 3.463 ( 1.701 2.854 4.004) 5.203 3.492 ( 1.125 -0.008 3.661) 3.830 3.983 ( -0.780 3.251 -0.603) 3.397 4.008 ( -2.780 0.824 -2.244) 3.666 4.226 ( 6.396 6.309 -2.724) 9.388 4.255 ( 6.510 3.044 -2.437) 7.589 4.571 ( -5.347 5.723 2.669) 8.274 4.589 ( -4.745 4.067 2.646) 6.787 5.292 ( 0.773 1.332 0.084) 1.542 5.314 ( 1.415 -0.762 0.024) 1.607 5.839 ( -0.776 1.585 -0.109) 1.768 5.860 ( -0.719 -0.346 -0.112) 0.805 6.236 ( -0.264 5.902 0.486) 5.927 6.339 ( -0.785 -3.495 -1.175) 3.770 6.375 ( -1.239 2.032 0.951) 2.563 6.413 ( 0.360 -0.215 0.853) 0.951 6.527 ( 0.994 1.526 -0.102) 1.824 6.555 ( 2.691 -1.162 0.437) 2.964 6.645 ( 0.635 3.788 -0.049) 3.841 6.735 ( 0.285 -2.614 -0.428) 2.664 6.758 ( 0.414 3.255 -1.929) 3.807 6.880 ( 0.184 -5.487 1.678) 5.741 6.977 ( -0.328 0.379 -0.019) 0.502 7.014 ( -0.674 -3.546 0.852) 3.709 7.220 ( -3.192 2.889 1.439) 4.540 7.241 ( -3.587 1.524 3.644) 5.335 7.364 ( 2.463 -0.019 -1.351) 2.810 7.373 ( 1.761 -0.551 2.058) 2.764 7.487 ( 0.761 2.298 -0.808) 2.552 7.577 ( 1.161 -6.316 -0.036) 6.422 7.759 ( -2.953 5.131 -2.000) 6.249 7.840 ( -4.765 -2.632 -2.160) 5.856 8.072 ( -1.353 3.480 -1.449) 4.005 8.145 ( -0.946 -4.110 -1.025) 4.341 8.296 ( 2.199 2.090 -2.785) 4.119 8.339 ( 3.420 -2.340 -3.654) 5.524 8.536 ( 1.798 4.090 2.274) 5.013 8.602 ( 2.620 -2.579 0.481) 3.707 9.082 ( -1.392 1.361 0.563) 2.026 9.114 ( -2.952 -1.848 2.807) 4.473 9.237 ( 2.168 6.309 -0.011) 6.671 9.364 ( 1.974 -6.538 -0.861) 6.884 9.619 ( -1.129 -0.294 0.453) 1.252 9.641 ( -1.055 -2.395 0.413) 2.649 ======================= Grid point 130 (57/91) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 3.526 0.000 17.780) 18.126 0.869 ( -1.020 0.000 18.969) 18.996 1.128 ( 1.514 0.000 -6.868) 7.033 1.194 ( -3.473 0.000 -15.624) 16.006 1.367 ( -1.221 0.000 -8.101) 8.193 1.504 ( -2.647 0.000 -5.378) 5.994 1.736 ( -2.111 0.000 40.929) 40.984 1.956 ( -1.566 0.000 1.302) 2.037 1.992 ( 1.792 0.000 1.840) 2.568 2.041 ( 0.200 0.000 -1.264) 1.280 2.143 ( -1.680 0.000 -0.901) 1.907 2.248 ( 0.393 0.000 -1.308) 1.366 2.346 ( 2.182 0.000 -0.389) 2.216 2.459 ( 14.106 0.000 -4.424) 14.784 2.464 ( -0.324 0.000 0.608) 0.689 2.581 ( -9.045 0.000 -5.170) 10.418 2.601 ( 4.750 0.000 -28.096) 28.495 2.888 ( -5.543 0.000 -2.532) 6.094 3.524 ( -2.908 0.000 1.740) 3.389 3.621 ( 2.932 0.000 1.381) 3.241 4.030 ( 0.625 0.000 10.194) 10.213 4.141 ( 6.223 0.000 9.804) 11.612 4.213 ( -0.733 0.000 -4.307) 4.369 4.328 ( -5.393 0.000 -6.637) 8.552 5.373 ( 0.841 0.000 3.293) 3.399 5.439 ( -1.965 0.000 -3.314) 3.853 5.704 ( 0.195 0.000 -0.350) 0.401 5.835 ( 0.693 0.000 1.573) 1.719 5.934 ( -0.675 0.000 -0.230) 0.713 6.000 ( -1.723 0.000 -2.673) 3.180 6.078 ( 2.225 0.000 0.761) 2.352 6.286 ( -5.072 0.000 0.460) 5.093 6.339 ( 1.579 0.000 2.676) 3.107 6.487 ( 2.688 0.000 -1.199) 2.943 6.546 ( 2.664 0.000 -0.083) 2.665 6.556 ( -3.678 0.000 -1.457) 3.956 6.635 ( -0.000 0.000 0.390) 0.390 6.710 ( 4.542 0.000 1.042) 4.660 6.839 ( 0.516 0.000 -0.150) 0.537 6.853 ( 5.090 0.000 0.297) 5.098 6.910 ( -4.840 0.000 2.015) 5.243 6.916 ( -0.345 0.000 0.196) 0.397 7.193 ( 3.051 0.000 0.981) 3.205 7.317 ( 0.201 0.000 0.076) 0.215 7.318 ( -2.247 0.000 -3.602) 4.245 7.406 ( -1.911 0.000 -2.047) 2.800 7.409 ( -0.208 0.000 -0.208) 0.294 7.436 ( 0.084 0.000 0.027) 0.088 7.879 ( -3.144 0.000 1.344) 3.419 7.959 ( 2.773 0.000 4.535) 5.316 8.389 ( 0.018 0.000 -1.755) 1.755 8.414 ( -0.910 0.000 -2.593) 2.749 8.517 ( 1.422 0.000 0.130) 1.428 8.811 ( 4.493 0.000 1.595) 4.768 8.889 ( -4.640 0.000 -4.925) 6.766 9.054 ( 1.339 0.000 0.924) 1.627 9.693 ( -3.264 0.000 5.790) 6.647 10.012 ( 1.693 0.000 -2.073) 2.677 10.444 ( -0.884 0.000 0.721) 1.141 10.561 ( 0.254 0.000 -1.801) 1.819 ======================= Grid point 131 (58/91) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.989 0.000 12.383) 12.422 1.046 ( 8.756 0.000 1.053) 8.819 1.096 ( 1.576 0.000 0.045) 1.577 1.145 ( 6.495 0.000 -8.910) 11.026 1.283 ( -4.196 0.000 -1.112) 4.341 1.430 ( -3.419 0.000 4.197) 5.413 1.912 ( -3.323 0.000 1.570) 3.675 2.004 ( -6.873 0.000 -1.919) 7.135 2.004 ( -0.250 0.000 -0.593) 0.644 2.064 ( 1.635 0.000 -1.095) 1.968 2.132 ( 10.089 0.000 22.444) 24.607 2.213 ( -7.284 0.000 3.512) 8.087 2.249 ( 0.706 0.000 -1.125) 1.329 2.357 ( -6.063 0.000 -12.277) 13.693 2.462 ( -0.356 0.000 0.832) 0.904 2.531 ( 11.967 0.000 -27.240) 29.753 2.768 ( 8.140 0.000 3.339) 8.798 2.955 ( 5.124 0.000 5.663) 7.637 3.176 ( -18.989 0.000 0.236) 18.991 3.854 ( 10.025 0.000 -0.407) 10.033 4.059 ( -5.591 0.000 4.527) 7.194 4.107 ( -6.791 0.000 -7.132) 9.848 4.178 ( 0.957 0.000 -3.841) 3.958 4.366 ( 6.405 0.000 8.220) 10.421 5.358 ( -4.291 0.000 -2.423) 4.928 5.399 ( 0.191 0.000 4.722) 4.726 5.692 ( -0.912 0.000 -0.495) 1.038 5.857 ( 0.784 0.000 -1.260) 1.484 5.943 ( 0.737 0.000 1.035) 1.271 5.987 ( 0.782 0.000 2.932) 3.034 6.028 ( -6.191 0.000 -2.974) 6.868 6.229 ( -1.905 0.000 5.155) 5.495 6.366 ( 0.739 0.000 -2.797) 2.893 6.477 ( -3.497 0.000 0.748) 3.576 6.531 ( 1.147 0.000 -1.725) 2.071 6.596 ( 1.621 0.000 1.108) 1.964 6.647 ( 1.263 0.000 0.285) 1.294 6.705 ( -1.048 0.000 -5.540) 5.639 6.771 ( -4.908 0.000 -3.479) 6.017 6.836 ( -0.417 0.000 -0.994) 1.078 6.916 ( 0.007 0.000 0.722) 0.722 6.990 ( 4.277 0.000 2.103) 4.766 7.168 ( -3.546 0.000 -4.703) 5.890 7.291 ( -1.611 0.000 2.725) 3.166 7.316 ( -0.160 0.000 -0.388) 0.420 7.408 ( 0.108 0.000 0.330) 0.347 7.436 ( -0.031 0.000 -0.141) 0.145 7.464 ( 7.249 0.000 2.356) 7.622 7.774 ( -5.875 0.000 1.826) 6.152 8.077 ( 5.324 0.000 1.598) 5.559 8.369 ( -3.112 0.000 2.538) 4.016 8.410 ( 2.387 0.000 -1.891) 3.045 8.575 ( 4.156 0.000 -1.903) 4.570 8.755 ( -3.765 0.000 -4.575) 5.925 8.935 ( 4.434 0.000 2.659) 5.170 9.101 ( 3.854 0.000 -2.482) 4.585 9.681 ( -2.227 0.000 6.871) 7.223 10.014 ( 0.438 0.000 -3.653) 3.679 10.393 ( -4.853 0.000 1.898) 5.211 10.521 ( -3.094 0.000 -0.464) 3.129 ======================= Grid point 132 (59/91) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -5.572 0.000 8.240) 9.947 1.069 ( -4.724 0.000 2.833) 5.509 1.181 ( 2.079 0.000 -10.921) 11.117 1.282 ( 12.707 0.000 -3.364) 13.145 1.288 ( 4.961 0.000 4.634) 6.788 1.501 ( 7.313 0.000 9.075) 11.655 1.813 ( -7.665 0.000 -2.017) 7.926 1.877 ( -1.378 0.000 2.317) 2.696 1.987 ( -0.801 0.000 -2.052) 2.203 1.988 ( -7.080 0.000 -6.892) 9.880 2.065 ( -0.287 0.000 -1.239) 1.272 2.207 ( -1.095 0.000 -11.127) 11.181 2.262 ( 1.104 0.000 -0.715) 1.316 2.461 ( -0.333 0.000 0.851) 0.914 2.506 ( -27.240 0.000 11.048) 29.395 2.621 ( 14.880 0.000 -16.251) 22.034 2.704 ( 15.756 0.000 19.609) 25.155 3.055 ( 1.762 0.000 3.260) 3.706 3.157 ( 9.888 0.000 -1.160) 9.956 3.762 ( -14.228 0.000 -17.634) 22.658 3.972 ( -0.710 0.000 2.480) 2.579 4.056 ( -0.581 0.000 3.993) 4.035 4.192 ( 1.293 0.000 -1.280) 1.820 4.517 ( 4.101 0.000 6.097) 7.348 5.276 ( -2.777 0.000 -1.085) 2.982 5.480 ( 5.244 0.000 6.878) 8.649 5.675 ( -0.358 0.000 -0.525) 0.635 5.823 ( -9.165 0.000 -6.110) 11.015 5.844 ( -0.722 0.000 -1.517) 1.680 6.010 ( 2.617 0.000 1.345) 2.942 6.061 ( 3.470 0.000 5.845) 6.797 6.246 ( -0.390 0.000 5.348) 5.362 6.304 ( -3.513 0.000 -6.262) 7.180 6.465 ( 0.513 0.000 1.600) 1.680 6.490 ( -2.220 0.000 -3.498) 4.143 6.614 ( 0.022 0.000 0.869) 0.869 6.642 ( -3.093 0.000 -1.434) 3.410 6.681 ( 1.437 0.000 0.783) 1.637 6.719 ( 1.610 0.000 -5.998) 6.210 6.817 ( -0.702 0.000 -1.209) 1.398 6.923 ( 0.086 0.000 0.725) 0.730 7.031 ( -1.162 0.000 0.647) 1.330 7.067 ( -2.390 0.000 -4.384) 4.994 7.300 ( 0.973 0.000 3.048) 3.199 7.309 ( -0.186 0.000 -0.508) 0.541 7.414 ( 0.216 0.000 0.508) 0.552 7.433 ( -0.082 0.000 -0.248) 0.261 7.612 ( 5.160 0.000 3.054) 5.996 7.713 ( -1.809 0.000 0.970) 2.053 8.154 ( 1.121 0.000 0.567) 1.256 8.335 ( -1.798 0.000 4.952) 5.269 8.445 ( 1.786 0.000 -0.901) 2.001 8.614 ( 0.696 0.000 -0.697) 0.985 8.681 ( -0.631 0.000 -5.573) 5.609 9.013 ( 1.218 0.000 4.614) 4.772 9.145 ( 2.761 0.000 -4.667) 5.423 9.705 ( 0.885 0.000 4.679) 4.762 9.985 ( -0.641 0.000 -4.327) 4.374 10.325 ( -3.525 0.000 3.559) 5.009 10.458 ( -2.620 0.000 -0.944) 2.785 ======================= Grid point 133 (60/91) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -10.880 0.000 13.421) 17.277 0.930 ( -14.260 0.000 12.923) 19.245 1.167 ( 1.503 0.000 -5.499) 5.700 1.395 ( 5.621 0.000 -5.133) 7.612 1.424 ( 7.759 0.000 -16.530) 18.260 1.669 ( 0.036 0.000 -3.211) 3.211 1.820 ( 8.552 0.000 7.001) 11.052 1.858 ( 2.610 0.000 -5.412) 6.009 1.891 ( 0.982 0.000 2.238) 2.444 1.958 ( -0.626 0.000 -1.035) 1.210 1.998 ( -24.571 0.000 16.417) 29.551 2.056 ( -0.097 0.000 -0.125) 0.158 2.260 ( 0.363 0.000 5.627) 5.639 2.268 ( 0.023 0.000 -1.186) 1.186 2.462 ( -0.089 0.000 0.739) 0.745 2.817 ( 19.994 0.000 -17.612) 26.645 2.994 ( -7.114 0.000 1.427) 7.256 3.073 ( 6.559 0.000 6.606) 9.309 3.258 ( -8.107 0.000 -16.287) 18.193 3.510 ( 9.104 0.000 1.365) 9.206 3.888 ( -9.335 0.000 9.478) 13.304 4.102 ( 0.060 0.000 2.147) 2.148 4.205 ( 2.135 0.000 -2.992) 3.676 4.560 ( -2.387 0.000 1.517) 2.828 5.259 ( 1.302 0.000 0.599) 1.433 5.611 ( -5.121 0.000 -5.210) 7.305 5.674 ( 0.647 0.000 -0.488) 0.810 5.688 ( 8.376 0.000 6.074) 10.347 5.826 ( -0.701 0.000 0.362) 0.788 6.039 ( -0.454 0.000 -1.435) 1.505 6.155 ( 0.926 0.000 0.730) 1.179 6.203 ( -1.477 0.000 -0.449) 1.544 6.291 ( 2.365 0.000 3.621) 4.325 6.447 ( -0.136 0.000 -1.803) 1.808 6.487 ( 1.256 0.000 -0.666) 1.422 6.591 ( -2.746 0.000 2.138) 3.480 6.616 ( -0.170 0.000 0.632) 0.655 6.689 ( -1.199 0.000 0.179) 1.212 6.712 ( 1.440 0.000 -4.355) 4.587 6.808 ( 0.506 0.000 -0.449) 0.677 6.926 ( -0.110 0.000 0.368) 0.385 6.959 ( -4.188 0.000 3.926) 5.740 7.092 ( 4.500 0.000 -2.783) 5.291 7.306 ( 0.105 0.000 -0.192) 0.218 7.339 ( 1.901 0.000 -0.797) 2.061 7.420 ( 0.044 0.000 0.114) 0.123 7.431 ( -0.016 0.000 -0.106) 0.107 7.651 ( -2.735 0.000 -0.280) 2.749 7.718 ( 2.287 0.000 0.179) 2.294 8.105 ( -6.811 0.000 4.771) 8.316 8.388 ( 3.708 0.000 1.342) 3.944 8.454 ( 0.090 0.000 -2.207) 2.209 8.596 ( -2.559 0.000 0.765) 2.671 8.660 ( 1.728 0.000 -3.624) 4.014 9.034 ( -2.009 0.000 4.975) 5.365 9.133 ( -0.499 0.000 -5.835) 5.856 9.747 ( 0.950 0.000 -0.266) 0.987 9.956 ( 0.447 0.000 -1.728) 1.785 10.337 ( 2.591 0.000 4.133) 4.878 10.433 ( 0.428 0.000 0.524) 0.677 ======================= Grid point 134 (61/91) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -9.805 0.000 17.565) 20.116 0.829 ( -8.068 0.000 18.925) 20.573 1.152 ( 0.438 0.000 -4.997) 5.016 1.357 ( -2.411 0.000 -16.132) 16.311 1.418 ( 2.111 0.000 -9.684) 9.912 1.565 ( -3.470 0.000 -2.844) 4.487 1.733 ( -15.595 0.000 21.714) 26.734 1.931 ( 2.686 0.000 -0.331) 2.706 1.961 ( -0.194 0.000 3.177) 3.183 2.002 ( 9.910 0.000 7.945) 12.702 2.054 ( -0.382 0.000 0.015) 0.382 2.143 ( 15.251 0.000 7.783) 17.122 2.254 ( -0.249 0.000 -1.464) 1.485 2.316 ( 2.859 0.000 -2.256) 3.642 2.465 ( -0.126 0.000 0.559) 0.573 2.805 ( -10.072 0.000 -21.034) 23.321 2.827 ( -7.852 0.000 -13.516) 15.631 3.081 ( -4.139 0.000 -5.708) 7.051 3.207 ( 18.215 0.000 -4.057) 18.661 3.748 ( -2.110 0.000 10.435) 10.646 3.861 ( 6.344 0.000 10.812) 12.536 4.067 ( -4.839 0.000 7.031) 8.535 4.230 ( 2.407 0.000 -5.239) 5.765 4.469 ( -6.084 0.000 -2.689) 6.652 5.314 ( 3.095 0.000 1.979) 3.673 5.493 ( -2.203 0.000 -5.166) 5.616 5.690 ( 1.186 0.000 -0.359) 1.239 5.823 ( -0.383 0.000 1.761) 1.802 5.932 ( 9.691 0.000 6.924) 11.911 5.983 ( -2.493 0.000 -2.900) 3.825 6.072 ( -3.187 0.000 -5.358) 6.234 6.276 ( 2.441 0.000 5.706) 6.206 6.336 ( 1.596 0.000 -4.853) 5.109 6.474 ( 0.223 0.000 4.245) 4.251 6.507 ( 1.918 0.000 -1.516) 2.445 6.583 ( 1.665 0.000 5.933) 6.162 6.612 ( -0.960 0.000 -0.187) 0.978 6.650 ( -2.196 0.000 -0.183) 2.204 6.743 ( 4.375 0.000 -0.715) 4.433 6.824 ( 0.999 0.000 0.188) 1.016 6.923 ( -0.343 0.000 0.050) 0.346 6.955 ( -0.732 0.000 4.908) 4.962 7.142 ( 2.076 0.000 -1.669) 2.663 7.310 ( 0.332 0.000 0.160) 0.369 7.358 ( 1.314 0.000 -3.565) 3.799 7.416 ( -0.267 0.000 -0.413) 0.492 7.433 ( 0.145 0.000 0.160) 0.216 7.529 ( -7.600 0.000 -3.892) 8.538 7.791 ( 5.642 0.000 0.017) 5.642 8.010 ( -7.189 0.000 7.388) 10.308 8.421 ( -1.388 0.000 -3.016) 3.320 8.435 ( 1.296 0.000 -2.817) 3.101 8.539 ( -3.843 0.000 2.032) 4.347 8.709 ( 4.786 0.000 -0.252) 4.792 9.007 ( -3.520 0.000 -0.203) 3.526 9.061 ( -2.640 0.000 -2.796) 3.845 9.726 ( -2.679 0.000 1.483) 3.062 9.981 ( 2.384 0.000 -0.880) 2.541 10.421 ( 3.134 0.000 -0.656) 3.201 10.500 ( 5.373 0.000 2.384) 5.878 ======================= Grid point 135 (62/91) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 4.796 6.439 16.893) 18.704 0.991 ( -1.948 10.208 18.348) 21.087 1.212 ( -4.258 2.785 -15.543) 16.355 1.281 ( 1.022 12.917 -9.402) 16.009 1.468 ( -1.231 8.981 -2.645) 9.443 1.553 ( -1.772 5.772 -7.695) 9.781 1.872 ( -1.870 11.639 24.257) 26.969 2.008 ( 3.787 2.899 0.783) 4.833 2.068 ( -1.067 7.640 4.010) 8.695 2.142 ( -1.532 10.365 3.325) 10.993 2.239 ( -0.552 9.881 -0.211) 9.899 2.303 ( 1.776 5.324 0.175) 5.615 2.356 ( 0.826 1.209 -1.192) 1.889 2.488 ( 7.090 1.846 1.648) 7.509 2.547 ( 2.531 8.264 -0.512) 8.658 2.636 ( -7.388 6.510 -3.075) 10.316 2.689 ( 5.093 9.128 -29.276) 31.086 2.912 ( -5.021 2.586 -2.189) 6.057 3.531 ( -3.545 0.933 1.536) 3.975 3.599 ( 3.305 -1.954 1.350) 4.070 3.988 ( 0.142 -4.109 9.407) 10.266 4.111 ( 5.688 -3.364 9.172) 11.305 4.157 ( -0.035 -4.894 -4.823) 6.871 4.303 ( -5.095 -2.357 -5.374) 7.771 5.350 ( 0.851 -2.013 2.624) 3.415 5.405 ( -1.815 -2.815 -2.680) 4.290 5.747 ( 1.846 -3.305 3.495) 5.153 5.830 ( -1.026 7.327 -1.093) 7.479 5.927 ( 0.242 -0.642 -1.224) 1.403 6.046 ( -0.350 6.259 -1.698) 6.495 6.243 ( -0.689 7.627 -1.933) 7.898 6.272 ( -3.136 2.364 1.617) 4.247 6.354 ( 1.685 0.926 2.053) 2.813 6.486 ( 2.466 -0.035 -1.197) 2.742 6.560 ( -0.743 1.114 -1.636) 2.114 6.605 ( -0.263 4.825 -0.180) 4.835 6.674 ( 0.135 3.832 1.613) 4.160 6.741 ( 1.211 1.969 -1.548) 2.782 6.861 ( 3.349 1.656 -0.000) 3.736 6.885 ( 1.045 0.344 2.389) 2.631 6.915 ( -1.652 2.333 -1.162) 3.086 6.931 ( -0.157 1.513 0.364) 1.564 7.193 ( 2.337 0.047 1.551) 2.805 7.293 ( 0.255 -0.649 -0.989) 1.210 7.341 ( -2.377 2.223 -1.130) 3.445 7.442 ( -2.613 2.977 -1.984) 4.430 7.453 ( 0.433 3.786 -0.272) 3.820 7.458 ( -0.016 3.800 -0.557) 3.840 7.864 ( -2.044 -1.688 0.933) 2.810 7.985 ( 1.069 2.854 4.651) 5.561 8.405 ( -0.921 -0.567 -0.848) 1.375 8.428 ( 0.667 1.744 -3.635) 4.087 8.536 ( 1.841 1.931 -2.399) 3.588 8.794 ( 3.463 -1.395 1.965) 4.219 8.899 ( -3.833 1.085 -4.724) 6.180 9.011 ( 1.312 -4.300 0.984) 4.602 9.658 ( -3.106 -3.351 5.966) 7.515 9.968 ( 1.623 -4.301 -2.292) 5.137 10.371 ( -0.700 -6.975 0.323) 7.017 10.450 ( 0.173 -9.712 1.127) 9.779 ======================= Grid point 136 (63/91) ======================= q-point: ( 0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 1.617 4.505 -9.793) 10.901 1.114 ( 4.406 6.075 12.896) 14.921 1.145 ( 7.211 9.526 12.401) 17.220 1.259 ( 4.752 10.042 -12.134) 16.451 1.424 ( -3.681 13.069 1.098) 13.622 1.483 ( -1.989 5.390 0.912) 5.817 1.939 ( -2.329 2.271 1.461) 3.566 2.014 ( -2.601 2.271 -3.023) 4.589 2.084 ( -1.488 7.098 0.679) 7.284 2.151 ( -5.091 8.065 -0.645) 9.559 2.258 ( -2.642 8.236 2.741) 9.074 2.272 ( 2.129 5.627 4.588) 7.566 2.350 ( 3.674 11.073 11.262) 16.216 2.394 ( -4.222 5.078 -6.274) 9.109 2.561 ( -0.293 9.254 0.266) 9.263 2.616 ( 9.958 9.108 -25.434) 28.793 2.797 ( 9.681 3.184 2.604) 10.518 2.968 ( 3.375 1.465 5.258) 6.417 3.206 ( -17.432 3.328 0.210) 17.748 3.816 ( 9.164 -3.463 -0.042) 9.797 4.009 ( -5.110 -4.984 5.534) 9.032 4.085 ( -6.332 -2.412 -9.310) 11.514 4.128 ( 0.932 -4.581 -2.288) 5.205 4.339 ( 6.019 -2.522 7.607) 10.023 5.331 ( -3.883 -2.327 -2.013) 4.954 5.370 ( -0.396 -2.379 3.947) 4.625 5.765 ( -0.863 -2.100 -2.837) 3.634 5.822 ( 0.623 3.881 1.919) 4.374 5.903 ( -2.147 1.580 -1.019) 2.853 6.061 ( 2.218 6.346 0.335) 6.731 6.156 ( -5.536 4.480 2.090) 7.422 6.261 ( -0.473 6.913 1.738) 7.144 6.402 ( 1.514 2.238 -2.308) 3.553 6.480 ( -4.722 0.054 1.077) 4.844 6.535 ( 3.560 -0.109 -2.587) 4.403 6.609 ( -2.233 1.667 0.244) 2.798 6.688 ( 1.354 4.476 0.524) 4.705 6.725 ( 0.333 1.117 -1.587) 1.969 6.819 ( -3.168 4.692 -3.160) 6.484 6.877 ( -1.996 2.166 -1.506) 3.308 6.945 ( 1.413 2.903 0.860) 3.341 6.974 ( 4.500 -0.561 0.107) 4.536 7.172 ( -3.347 0.590 -3.324) 4.754 7.251 ( -4.247 -2.148 0.121) 4.761 7.346 ( 1.431 2.967 3.206) 4.597 7.428 ( 1.529 1.963 -1.110) 2.725 7.457 ( 0.046 2.301 -0.119) 2.304 7.532 ( 6.388 5.943 3.089) 9.255 7.768 ( -5.941 -0.513 1.768) 6.220 8.088 ( 4.904 1.052 2.038) 5.414 8.380 ( -2.160 0.282 1.708) 2.768 8.430 ( 1.289 1.527 -1.976) 2.811 8.573 ( 3.270 -0.194 -3.256) 4.618 8.749 ( -3.960 -0.392 -3.999) 5.641 8.923 ( 3.361 -1.158 2.877) 4.573 9.057 ( 3.752 -4.222 -2.324) 6.108 9.652 ( -1.742 -2.743 6.724) 7.468 9.968 ( 0.436 -4.406 -3.588) 5.699 10.328 ( -3.961 -6.085 1.467) 7.407 10.431 ( -2.335 -8.423 0.185) 8.743 ======================= Grid point 137 (64/91) ======================= q-point: ( 0.40 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -4.092 3.076 0.790) 5.180 1.221 ( -1.052 14.020 2.723) 14.321 1.303 ( 5.762 9.227 -6.499) 12.672 1.362 ( 0.183 7.641 6.994) 10.361 1.378 ( 10.264 10.222 -4.883) 15.287 1.542 ( 6.005 4.505 7.811) 10.833 1.822 ( -6.735 1.419 -1.543) 7.054 1.971 ( -3.161 1.686 -5.258) 6.363 1.973 ( -2.981 6.605 -1.186) 7.343 2.116 ( -2.010 10.267 1.447) 10.562 2.172 ( -0.829 9.394 -2.006) 9.642 2.251 ( -0.952 4.614 -7.867) 9.170 2.323 ( -1.853 6.086 -0.987) 6.438 2.524 ( -1.346 6.307 3.576) 7.374 2.601 ( -16.130 9.080 3.143) 18.775 2.702 ( 9.814 8.520 -10.168) 16.502 2.791 ( 11.671 8.808 15.692) 21.448 3.053 ( 2.815 -0.078 2.549) 3.798 3.172 ( 8.738 1.852 -0.738) 8.962 3.761 ( -13.103 -0.090 -15.384) 20.208 3.927 ( -0.470 -4.339 2.112) 4.849 4.006 ( -0.600 -4.936 2.848) 5.731 4.148 ( 1.230 -4.224 -0.754) 4.464 4.480 ( 3.743 -3.602 5.691) 7.705 5.257 ( -2.487 -1.530 -0.943) 3.069 5.421 ( 2.894 -5.066 5.522) 8.033 5.700 ( -3.504 -2.703 -5.337) 6.933 5.837 ( -0.552 9.568 -1.019) 9.638 5.852 ( -1.132 -1.712 0.712) 2.172 6.098 ( -0.191 6.657 3.239) 7.406 6.141 ( 2.906 5.572 2.532) 6.775 6.269 ( 0.293 5.110 1.038) 5.223 6.338 ( -3.863 2.432 -4.095) 6.132 6.428 ( -2.014 -0.787 -0.973) 2.371 6.545 ( -1.924 -1.841 -1.586) 3.100 6.604 ( 2.722 4.071 1.488) 5.118 6.719 ( -0.174 4.568 1.455) 4.797 6.725 ( 1.224 1.195 -3.442) 3.844 6.769 ( -0.269 7.770 -1.313) 7.885 6.833 ( -1.724 0.803 -0.892) 2.101 6.963 ( 0.217 5.103 0.304) 5.117 7.040 ( 2.605 0.425 -1.425) 3.000 7.075 ( -4.347 1.089 -2.453) 5.109 7.188 ( -1.669 -4.725 0.491) 5.035 7.390 ( 0.752 2.719 3.226) 4.286 7.446 ( 1.414 3.121 -1.711) 3.830 7.455 ( -0.109 2.204 -0.279) 2.224 7.674 ( 4.519 5.652 4.014) 8.275 7.706 ( -1.555 -0.631 1.232) 2.081 8.156 ( 0.606 0.249 0.808) 1.040 8.361 ( -0.931 1.942 4.505) 4.993 8.443 ( 1.227 -0.155 -2.060) 2.403 8.595 ( 0.400 -1.591 -0.846) 1.846 8.670 ( -1.030 -0.939 -5.446) 5.622 8.986 ( 0.534 -2.906 4.900) 5.722 9.102 ( 3.028 -3.861 -4.708) 6.800 9.682 ( 0.856 -2.244 4.765) 5.336 9.941 ( -0.549 -4.198 -3.940) 5.783 10.268 ( -3.291 -5.395 2.729) 6.883 10.384 ( -1.930 -7.036 -0.619) 7.322 ======================= Grid point 138 (65/91) ======================= q-point: (-0.40 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -11.147 5.018 10.107) 15.861 1.124 ( -10.928 14.012 8.106) 19.531 1.323 ( 2.200 13.688 -4.276) 14.508 1.427 ( 4.838 4.314 -8.504) 10.692 1.522 ( 6.227 9.265 -9.969) 14.966 1.678 ( 0.585 1.359 -2.213) 2.662 1.819 ( 6.514 0.917 6.034) 8.927 1.869 ( 2.100 1.269 -5.499) 6.021 1.982 ( 1.752 7.271 0.060) 7.479 2.076 ( -16.429 8.579 14.692) 23.651 2.101 ( 0.032 12.817 1.325) 12.886 2.194 ( -0.818 10.741 -3.174) 11.230 2.280 ( 0.721 3.790 3.255) 5.048 2.383 ( -4.431 10.954 3.365) 12.286 2.539 ( -0.042 7.094 0.725) 7.131 2.876 ( 17.153 6.059 -13.139) 22.440 2.999 ( -6.050 0.865 -0.747) 6.157 3.088 ( 5.464 1.725 5.154) 7.707 3.286 ( -5.914 2.888 -14.018) 15.487 3.535 ( 8.025 2.597 1.437) 8.557 3.843 ( -9.162 -4.374 9.063) 13.609 4.053 ( 0.748 -4.843 1.217) 5.050 4.158 ( 1.481 -4.466 -2.350) 5.260 4.520 ( -2.231 -3.982 1.525) 4.812 5.242 ( 1.188 -1.329 0.551) 1.866 5.501 ( 0.067 -9.814 -0.032) 9.814 5.615 ( 0.005 0.618 0.513) 0.803 5.827 ( 0.518 10.282 0.034) 10.295 5.867 ( 2.045 -1.099 -0.831) 2.466 6.123 ( 0.404 7.590 1.173) 7.691 6.212 ( 0.992 4.297 0.352) 4.424 6.239 ( -0.013 3.794 -3.043) 4.863 6.311 ( 1.845 2.727 1.504) 3.619 6.413 ( 1.676 0.400 -0.153) 1.729 6.511 ( -1.460 -1.723 0.868) 2.420 6.638 ( 0.151 5.170 -1.155) 5.299 6.698 ( -1.555 2.412 0.217) 2.877 6.739 ( 1.203 4.217 -1.053) 4.510 6.752 ( -1.207 6.859 -0.689) 6.998 6.816 ( 0.261 1.208 0.878) 1.516 6.960 ( -0.668 4.240 0.577) 4.331 6.982 ( -4.063 2.208 2.152) 5.101 7.094 ( 3.571 -0.186 -2.067) 4.130 7.197 ( 2.400 -4.675 -0.546) 5.283 7.411 ( -0.308 1.827 1.919) 2.667 7.450 ( 0.161 2.785 -1.168) 3.024 7.457 ( 0.740 3.289 -1.945) 3.892 7.714 ( 1.058 1.345 -0.201) 1.723 7.716 ( -1.369 4.086 0.835) 4.390 8.113 ( -5.754 0.860 4.440) 7.318 8.413 ( 3.088 1.760 1.614) 3.903 8.444 ( 0.872 -0.693 -3.701) 3.865 8.578 ( -2.075 -1.138 0.995) 2.567 8.645 ( 1.553 -1.627 -3.459) 4.126 9.002 ( -2.061 -3.546 5.297) 6.699 9.099 ( 0.234 -2.912 -6.252) 6.901 9.717 ( 0.006 -2.926 0.730) 3.015 9.918 ( 0.653 -3.706 -1.769) 4.159 10.268 ( 1.442 -6.336 4.037) 7.650 10.368 ( 0.404 -6.323 0.254) 6.341 ======================= Grid point 139 (66/91) ======================= q-point: (-0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -7.854 6.947 15.677) 18.860 0.993 ( -9.276 12.004 14.182) 20.767 1.317 ( 0.305 14.515 -4.866) 15.312 1.384 ( -2.158 3.343 -15.194) 15.707 1.503 ( 0.979 7.563 -7.837) 10.935 1.625 ( -0.627 5.596 -8.423) 10.132 1.845 ( -9.473 10.084 17.254) 22.116 1.947 ( 2.058 1.422 3.772) 4.527 2.018 ( 3.729 5.940 3.868) 8.009 2.096 ( 6.373 7.469 8.192) 12.787 2.161 ( 0.536 9.011 1.406) 9.136 2.224 ( 8.634 10.284 2.511) 13.661 2.324 ( 2.595 2.114 -2.353) 4.091 2.355 ( -0.577 9.089 0.986) 9.160 2.542 ( -0.101 7.208 0.812) 7.254 2.831 ( -10.633 1.410 -0.650) 10.745 2.889 ( -5.541 7.609 -28.614) 30.122 3.088 ( -3.943 0.937 -5.584) 6.900 3.243 ( 16.413 3.901 -4.328) 17.417 3.730 ( -4.747 -2.050 9.022) 10.399 3.840 ( 8.589 -1.752 10.798) 13.908 4.025 ( -4.244 -4.080 6.286) 8.612 4.175 ( 1.973 -5.227 -4.804) 7.368 4.435 ( -5.750 -3.323 -2.418) 7.068 5.295 ( 3.097 -1.638 1.634) 3.866 5.448 ( -1.363 -4.128 -3.892) 5.835 5.682 ( 2.139 -3.128 5.336) 6.545 5.840 ( 0.412 8.071 -0.070) 8.082 5.910 ( 2.577 -1.688 -1.382) 3.377 6.092 ( -2.499 5.591 -2.546) 6.632 6.212 ( 3.326 10.059 -3.045) 11.024 6.282 ( 1.870 0.829 0.259) 2.062 6.346 ( -0.039 1.524 1.429) 2.090 6.476 ( -0.481 0.114 2.749) 2.793 6.509 ( 4.160 1.531 -0.862) 4.516 6.622 ( 0.680 3.977 -0.735) 4.101 6.668 ( -2.110 1.907 1.312) 3.132 6.727 ( -0.633 6.211 -0.391) 6.255 6.779 ( 3.438 4.488 0.681) 5.695 6.846 ( 1.930 2.119 1.075) 3.061 6.945 ( -1.714 0.657 1.329) 2.267 6.950 ( -1.507 1.425 1.870) 2.792 7.136 ( 2.259 -0.525 -0.059) 2.320 7.260 ( 3.777 -1.725 -0.691) 4.210 7.397 ( -1.967 1.450 -0.324) 2.465 7.443 ( 0.643 3.493 -3.121) 4.728 7.454 ( 0.088 2.401 -0.312) 2.423 7.594 ( -8.264 5.649 -2.921) 10.428 7.788 ( 5.622 -0.387 -0.354) 5.646 8.034 ( -6.578 2.344 6.778) 9.732 8.427 ( 0.265 0.060 -4.370) 4.378 8.445 ( 0.279 0.015 -2.079) 2.097 8.544 ( -1.717 1.208 0.475) 2.153 8.696 ( 4.673 -1.169 0.752) 4.876 8.990 ( -2.314 -2.614 3.631) 5.037 9.029 ( -2.815 -2.212 -6.750) 7.640 9.690 ( -3.050 -3.473 2.385) 5.201 9.941 ( 2.242 -3.905 -1.281) 4.681 10.345 ( 3.296 -7.447 0.663) 8.171 10.404 ( 2.411 -8.161 2.965) 9.011 ======================= Grid point 140 (67/91) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 3.756 12.596 10.995) 17.137 1.221 ( -2.156 12.567 15.232) 19.864 1.330 ( -4.213 9.145 -11.604) 15.364 1.528 ( -0.189 11.092 -11.967) 16.318 1.650 ( 0.692 8.537 -5.676) 10.275 1.770 ( -0.532 14.329 -2.617) 14.576 2.062 ( 3.133 4.353 -0.211) 5.367 2.083 ( -1.113 7.906 1.096) 8.059 2.259 ( 1.784 9.413 5.388) 10.992 2.368 ( 2.839 1.739 -1.427) 3.623 2.385 ( -0.827 9.962 2.847) 10.394 2.429 ( -1.499 4.340 -2.764) 5.359 2.512 ( 1.863 14.684 7.948) 16.801 2.590 ( -2.510 14.130 6.919) 15.932 2.753 ( 0.740 11.065 -0.178) 11.091 2.848 ( 2.074 13.286 -1.091) 13.491 2.965 ( 0.541 18.925 -18.914) 26.762 3.009 ( -3.468 8.014 -1.232) 8.819 3.550 ( -8.187 -1.442 2.073) 8.567 3.584 ( 7.834 3.622 0.009) 8.631 3.872 ( -1.074 -7.348 6.727) 10.020 3.976 ( 1.939 -9.617 -1.314) 9.898 4.075 ( 3.011 -3.222 2.956) 5.309 4.242 ( -3.697 -3.506 -2.356) 5.613 5.302 ( 0.593 -2.579 0.986) 2.824 5.353 ( -1.054 -1.994 -1.252) 2.579 5.708 ( 1.388 -0.533 1.511) 2.120 5.846 ( -0.542 -1.022 -0.917) 1.476 6.016 ( 0.172 2.167 -0.300) 2.194 6.147 ( -0.724 4.508 0.590) 4.604 6.310 ( -2.548 4.358 -0.107) 5.049 6.368 ( 1.215 0.865 0.453) 1.559 6.426 ( 0.841 5.304 3.520) 6.421 6.502 ( 1.989 3.640 -3.208) 5.244 6.599 ( -1.193 2.440 -0.597) 2.781 6.703 ( -0.109 4.120 0.690) 4.179 6.763 ( 2.060 3.884 0.330) 4.409 6.776 ( -1.497 2.032 -1.036) 2.728 6.803 ( -1.614 -5.075 0.686) 5.369 6.914 ( 1.013 3.365 -2.003) 4.045 6.994 ( 1.910 3.865 0.079) 4.312 7.007 ( 0.621 6.271 -0.828) 6.356 7.215 ( 1.549 2.556 1.689) 3.433 7.306 ( -0.052 1.439 -1.665) 2.201 7.395 ( -1.744 2.892 3.040) 4.544 7.493 ( -0.800 1.781 -3.241) 3.783 7.539 ( 0.249 6.020 -0.813) 6.080 7.632 ( -1.520 11.424 0.420) 11.532 7.813 ( -0.851 -2.786 0.461) 2.950 8.071 ( -0.697 5.222 3.990) 6.609 8.359 ( -1.567 -3.593 1.050) 4.058 8.451 ( 2.151 0.206 -4.212) 4.734 8.552 ( 2.341 -1.322 -6.391) 6.933 8.786 ( 1.508 0.733 3.410) 3.800 8.886 ( 0.672 -6.413 -2.309) 6.849 8.939 ( -1.956 1.810 -1.562) 3.089 9.570 ( -2.695 -5.303 6.241) 8.622 9.853 ( 1.454 -6.963 -2.852) 7.663 10.194 ( -0.221 -10.218 1.671) 10.356 10.234 ( -0.101 -11.320 1.040) 11.368 ======================= Grid point 141 (68/91) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.903 7.633 -5.063) 9.204 1.314 ( 5.489 12.334 7.506) 15.446 1.363 ( 7.642 11.766 12.451) 18.758 1.478 ( 2.384 11.393 -10.175) 15.460 1.631 ( 1.286 8.594 -3.634) 9.419 1.737 ( -2.659 16.254 0.377) 16.474 1.987 ( -5.999 3.245 -2.787) 7.368 2.094 ( -1.237 4.348 -1.848) 4.884 2.227 ( -6.094 7.044 -2.088) 9.545 2.314 ( -1.778 6.600 -3.241) 7.565 2.397 ( -0.963 6.281 3.453) 7.232 2.426 ( 0.837 9.348 -1.589) 9.519 2.555 ( 0.081 11.069 -1.576) 11.180 2.644 ( 0.216 14.771 11.973) 19.015 2.823 ( 3.381 17.548 0.567) 17.880 2.883 ( 7.802 8.688 -3.371) 12.154 2.923 ( 5.331 17.099 -8.642) 19.887 3.044 ( 1.254 7.838 3.956) 8.869 3.321 ( -12.461 8.321 0.701) 15.000 3.732 ( 6.152 -4.710 -0.731) 7.782 3.868 ( -4.415 -8.889 5.321) 11.262 3.969 ( -0.138 -8.524 -6.153) 10.514 4.062 ( -2.926 -2.061 -3.218) 4.813 4.273 ( 4.388 -3.985 5.787) 8.284 5.279 ( -2.729 -2.576 -0.980) 3.878 5.325 ( -1.667 -1.863 1.852) 3.112 5.719 ( -0.097 -1.008 -2.249) 2.466 5.820 ( -1.803 -0.870 0.674) 2.112 6.004 ( -0.780 2.096 -0.372) 2.267 6.167 ( 1.667 4.889 2.102) 5.577 6.260 ( -2.458 6.095 1.011) 6.650 6.411 ( 1.822 1.991 -1.524) 3.099 6.448 ( -0.155 4.263 2.267) 4.831 6.517 ( -3.703 5.324 0.289) 6.491 6.541 ( 2.336 1.681 -3.937) 4.877 6.651 ( -4.736 3.020 -1.125) 5.729 6.722 ( -0.362 -1.415 0.482) 1.538 6.800 ( 1.865 4.651 0.968) 5.104 6.871 ( 0.236 -2.031 2.285) 3.066 6.899 ( 0.213 2.775 -2.020) 3.439 6.982 ( 3.122 5.487 -2.921) 6.956 7.074 ( 2.998 6.163 -1.025) 6.930 7.202 ( -2.591 2.741 -1.674) 4.126 7.248 ( -4.783 1.466 -0.038) 5.003 7.423 ( 0.874 4.296 4.635) 6.380 7.475 ( 1.129 2.398 -2.096) 3.379 7.535 ( 0.037 5.563 -0.687) 5.605 7.674 ( 3.505 7.185 3.183) 8.605 7.763 ( -3.485 1.053 1.520) 3.945 8.124 ( 2.986 2.662 2.369) 4.649 8.347 ( -0.657 -3.591 1.218) 3.849 8.458 ( 0.542 0.948 -1.139) 1.578 8.559 ( 2.759 -1.521 -7.033) 7.706 8.759 ( -4.449 1.914 -1.907) 5.205 8.865 ( 0.021 -6.368 1.215) 6.483 8.977 ( 3.697 -1.714 -0.343) 4.090 9.579 ( -0.674 -4.481 6.420) 7.858 9.851 ( 0.509 -7.106 -3.563) 7.966 10.175 ( -2.380 -8.854 0.844) 9.207 10.225 ( -1.336 -11.514 0.626) 11.608 ======================= Grid point 142 (69/91) ======================= q-point: ( 0.40 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -1.236 9.124 -2.455) 9.529 1.460 ( 4.070 8.525 -9.217) 13.198 1.496 ( 5.203 11.624 8.339) 15.223 1.580 ( 6.562 12.682 6.556) 15.712 1.658 ( -0.915 15.163 -2.879) 15.461 1.688 ( 2.637 9.871 1.904) 10.393 1.870 ( -4.384 3.195 -0.582) 5.456 2.000 ( -4.292 2.386 -7.106) 8.638 2.123 ( -2.643 6.601 -1.916) 7.364 2.278 ( -0.073 5.345 -3.623) 6.457 2.389 ( -1.236 11.618 1.932) 11.842 2.439 ( 0.911 12.319 0.399) 12.359 2.512 ( -4.281 12.986 0.398) 13.680 2.685 ( 0.103 9.995 1.846) 10.165 2.851 ( -3.374 15.396 -5.286) 16.624 2.939 ( -1.734 11.509 5.526) 12.884 3.043 ( 4.639 15.321 4.733) 16.693 3.081 ( 5.933 6.600 0.704) 8.902 3.255 ( 6.045 7.496 0.463) 9.641 3.745 ( -9.366 -2.738 -5.281) 11.095 3.811 ( 1.175 -7.051 -0.566) 7.170 3.879 ( -1.612 -6.579 -2.386) 7.182 4.047 ( 0.498 -4.985 0.110) 5.011 4.380 ( 2.655 -6.352 4.602) 8.281 5.227 ( -1.665 -1.277 -0.749) 2.228 5.321 ( -0.087 -4.259 2.486) 4.932 5.683 ( -1.473 0.917 -3.445) 3.857 5.799 ( -0.566 -1.865 0.675) 2.062 5.992 ( -0.247 2.853 -0.437) 2.897 6.220 ( 1.356 5.883 4.576) 7.576 6.251 ( 1.253 4.730 0.603) 4.930 6.364 ( -4.112 1.971 -1.805) 4.904 6.430 ( -2.305 3.863 -1.503) 4.743 6.475 ( -0.530 8.166 1.140) 8.262 6.556 ( 0.741 2.663 -5.978) 6.586 6.617 ( 1.392 0.435 1.353) 1.989 6.743 ( 2.563 -0.096 0.156) 2.570 6.811 ( -3.668 -0.761 0.325) 3.760 6.844 ( 1.061 6.426 1.571) 6.700 6.919 ( 0.547 3.230 -0.814) 3.375 7.048 ( 3.503 2.998 -1.633) 4.891 7.100 ( 0.182 4.555 -0.352) 4.573 7.136 ( -2.350 7.284 -2.048) 7.923 7.162 ( -3.366 1.755 0.705) 3.861 7.446 ( -1.091 3.391 4.357) 5.628 7.498 ( 1.735 2.293 -1.771) 3.377 7.536 ( 1.013 5.522 -1.759) 5.884 7.697 ( -1.126 0.171 1.168) 1.631 7.804 ( 3.590 6.639 4.450) 8.762 8.168 ( -0.290 1.059 1.126) 1.572 8.354 ( 0.929 -3.207 1.237) 3.561 8.460 ( 0.241 1.614 -0.712) 1.781 8.563 ( 1.244 -1.886 -2.687) 3.510 8.664 ( -3.004 1.313 -4.166) 5.301 8.879 ( -0.420 -8.095 3.126) 8.688 9.031 ( 2.845 -2.357 -2.314) 4.359 9.619 ( 0.630 -3.977 5.155) 6.541 9.830 ( -0.138 -6.748 -3.495) 7.601 10.130 ( -2.659 -8.118 1.076) 8.610 10.204 ( -0.807 -10.455 0.077) 10.486 ======================= Grid point 143 (70/91) ======================= q-point: (-0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -5.607 11.811 3.833) 13.624 1.383 ( -8.675 11.226 1.052) 14.226 1.557 ( 0.512 10.660 -4.598) 11.621 1.654 ( 2.993 15.299 -0.017) 15.589 1.732 ( 0.717 4.379 -2.190) 4.949 1.753 ( 5.211 12.438 -7.124) 15.251 1.865 ( 4.646 3.866 2.437) 6.516 1.914 ( 1.062 3.548 -2.641) 4.548 2.118 ( 2.899 5.955 -1.269) 6.744 2.258 ( -0.471 5.193 -1.279) 5.369 2.378 ( -1.759 12.882 2.322) 13.207 2.419 ( -5.707 16.620 9.284) 19.875 2.471 ( 1.172 12.378 -0.353) 12.438 2.672 ( -2.949 15.119 -0.090) 15.404 2.737 ( -2.933 14.817 2.535) 15.316 2.974 ( -2.824 2.005 4.047) 5.327 3.118 ( 5.817 10.418 -7.384) 14.032 3.171 ( 5.636 9.713 -1.909) 11.390 3.376 ( -1.677 6.242 -7.680) 10.037 3.609 ( 4.812 3.829 2.893) 6.796 3.730 ( -7.728 -5.698 5.699) 11.166 3.917 ( 2.440 -8.626 -1.378) 9.070 4.048 ( -0.153 -5.881 -0.412) 5.898 4.409 ( -1.827 -7.056 1.586) 7.459 5.218 ( 0.986 -0.938 0.171) 1.372 5.346 ( 1.412 -5.623 0.235) 5.803 5.647 ( -0.508 2.421 -0.233) 2.484 5.811 ( 1.626 -2.094 -0.497) 2.698 5.990 ( 0.396 3.220 -0.311) 3.259 6.251 ( -2.821 5.789 1.419) 6.595 6.283 ( 1.661 1.862 0.124) 2.498 6.321 ( 2.112 2.426 1.591) 3.589 6.385 ( -1.365 6.007 0.331) 6.169 6.489 ( 0.952 4.433 0.405) 4.552 6.545 ( 2.424 5.133 -4.751) 7.402 6.652 ( 2.481 1.134 -1.621) 3.174 6.733 ( -4.602 -0.487 0.681) 4.678 6.796 ( 1.406 1.541 1.445) 2.537 6.864 ( 0.806 5.460 -0.091) 5.520 6.909 ( -1.246 3.554 -0.015) 3.766 7.035 ( -3.205 2.674 0.069) 4.175 7.073 ( -2.629 4.902 1.498) 5.761 7.119 ( 1.466 6.721 -0.529) 6.900 7.183 ( 4.278 2.218 -0.971) 4.915 7.445 ( -1.637 1.887 3.139) 4.012 7.513 ( 0.948 3.802 -0.526) 3.954 7.542 ( 1.056 4.906 -3.541) 6.142 7.709 ( 2.062 0.229 -0.196) 2.084 7.842 ( -2.394 6.180 1.207) 6.737 8.138 ( -3.464 1.694 3.764) 5.388 8.390 ( 2.460 -3.318 -1.173) 4.294 8.446 ( -1.170 -0.458 -1.993) 2.356 8.593 ( 1.434 -3.521 -2.300) 4.443 8.605 ( 0.893 4.444 -0.361) 4.548 8.883 ( -1.270 -8.200 3.131) 8.869 9.048 ( 1.079 -1.835 -4.164) 4.676 9.639 ( -1.945 -4.856 2.964) 6.013 9.818 ( 1.227 -6.050 -2.333) 6.599 10.114 ( 0.021 -8.644 3.047) 9.165 10.202 ( 0.585 -9.794 -0.047) 9.811 ======================= Grid point 144 (71/91) ======================= q-point: (-0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -4.070 14.527 8.064) 17.106 1.240 ( -8.793 12.642 10.621) 18.707 1.491 ( -3.345 7.478 -10.944) 13.670 1.626 ( -2.096 13.777 -8.970) 16.572 1.673 ( 0.048 9.013 -6.733) 11.251 1.789 ( 1.787 10.912 -5.476) 12.339 1.947 ( 6.156 2.789 1.816) 6.998 2.050 ( 5.563 4.519 3.171) 7.837 2.178 ( 2.050 10.036 3.633) 10.868 2.270 ( 4.010 5.801 0.535) 7.072 2.386 ( -0.059 10.527 3.046) 10.959 2.417 ( -1.306 14.084 9.995) 17.320 2.482 ( 0.193 11.532 -1.010) 11.577 2.616 ( -3.040 16.551 2.088) 16.956 2.743 ( 1.449 12.947 0.085) 13.028 2.882 ( -6.621 4.345 1.930) 8.151 3.110 ( -3.921 12.051 -13.772) 18.716 3.142 ( -3.873 7.493 -7.489) 11.280 3.372 ( 11.349 9.010 -4.540) 15.185 3.655 ( -4.626 -5.269 7.194) 10.046 3.813 ( 7.186 -0.839 7.437) 10.376 3.913 ( -1.714 -7.229 2.935) 7.989 4.047 ( 0.825 -6.477 -2.010) 6.832 4.343 ( -4.741 -5.782 -1.366) 7.601 5.260 ( 2.708 -1.654 0.788) 3.270 5.364 ( 0.858 -3.635 -1.645) 4.081 5.665 ( 1.324 0.949 2.558) 3.033 5.841 ( 1.691 -1.725 -1.116) 2.661 6.003 ( 1.016 2.699 -0.205) 2.891 6.185 ( -3.204 4.345 -0.290) 5.406 6.322 ( 2.632 2.076 -3.785) 5.056 6.362 ( 0.004 2.782 2.248) 3.577 6.392 ( -0.966 5.848 6.681) 8.931 6.496 ( 0.355 2.980 -1.016) 3.168 6.582 ( 3.377 3.146 -4.205) 6.243 6.675 ( 2.265 1.581 -2.590) 3.787 6.711 ( 1.610 2.630 1.992) 3.671 6.795 ( -1.740 1.848 1.224) 2.817 6.874 ( -2.236 1.671 -0.366) 2.816 6.905 ( 3.529 3.861 0.753) 5.285 6.953 ( -4.196 4.033 -1.454) 5.999 7.048 ( -2.317 6.433 1.823) 7.076 7.158 ( 2.649 3.510 1.167) 4.550 7.266 ( 4.524 1.536 -0.906) 4.863 7.425 ( -2.493 1.463 2.624) 3.904 7.522 ( -0.252 4.617 -1.370) 4.822 7.533 ( 1.440 4.366 -3.780) 5.952 7.721 ( -4.852 5.351 -1.165) 7.317 7.785 ( 1.544 2.027 -0.606) 2.620 8.098 ( -4.130 3.635 5.144) 7.532 8.396 ( -3.105 -3.170 1.290) 4.622 8.428 ( 3.794 -1.000 -6.177) 7.318 8.562 ( 0.347 -1.533 -4.750) 5.004 8.699 ( 4.703 2.871 3.328) 6.437 8.877 ( -0.831 -7.762 2.201) 8.111 9.014 ( -1.597 0.197 -5.363) 5.599 9.599 ( -3.863 -5.442 4.169) 7.869 9.836 ( 1.945 -6.373 -2.321) 7.055 10.159 ( 1.739 -10.216 3.590) 10.967 10.220 ( 0.961 -10.165 0.349) 10.216 ======================= Grid point 145 (72/91) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.597 13.072 3.921) 13.661 1.484 ( -0.603 13.795 9.652) 16.847 1.548 ( -2.319 11.817 -4.567) 12.880 1.739 ( 0.543 10.155 -12.837) 16.377 1.800 ( 0.415 6.813 -5.028) 8.478 2.006 ( 1.249 8.899 -2.194) 9.250 2.173 ( 3.463 4.987 1.121) 6.174 2.201 ( -1.239 4.236 -1.573) 4.686 2.389 ( 1.346 1.068 3.996) 4.350 2.406 ( 0.154 4.789 1.868) 5.143 2.504 ( 4.296 5.890 -2.731) 7.785 2.535 ( -4.756 5.488 -3.693) 8.147 2.776 ( 0.390 11.815 0.143) 11.823 2.891 ( -2.447 7.394 3.883) 8.703 2.997 ( -0.736 14.909 5.546) 15.924 3.102 ( 1.410 11.654 1.079) 11.789 3.248 ( 0.014 15.028 3.871) 15.519 3.386 ( -0.329 20.711 -7.083) 21.891 3.531 ( -0.728 0.617 0.462) 1.060 3.678 ( 0.341 -1.605 0.230) 1.657 3.752 ( -0.171 2.755 0.521) 2.809 3.787 ( 0.395 -6.350 -2.661) 6.896 4.033 ( 1.351 -0.284 2.282) 2.667 4.178 ( -1.638 -2.427 0.666) 3.003 5.260 ( 0.204 -1.468 -0.099) 1.485 5.330 ( -0.325 -0.412 -0.476) 0.709 5.720 ( 0.745 1.564 0.229) 1.747 5.838 ( -0.370 0.073 0.190) 0.422 6.023 ( -0.104 0.276 0.215) 0.365 6.223 ( -0.075 3.501 -0.113) 3.504 6.354 ( -0.341 0.690 2.236) 2.364 6.388 ( 0.334 0.587 -1.483) 1.630 6.448 ( 0.407 -0.505 0.750) 0.991 6.619 ( -0.121 1.854 2.412) 3.044 6.637 ( 0.284 0.623 1.817) 1.942 6.691 ( -0.949 -0.240 -2.511) 2.695 6.775 ( 3.532 1.701 1.413) 4.167 6.818 ( -3.141 2.270 -1.723) 4.241 6.866 ( -0.896 5.109 -2.015) 5.565 7.001 ( -0.196 5.310 -0.877) 5.386 7.064 ( 1.673 3.340 0.881) 3.838 7.144 ( 0.152 6.250 -0.721) 6.293 7.302 ( 1.454 6.283 0.313) 6.457 7.344 ( -1.290 2.475 -0.680) 2.873 7.426 ( 0.676 -0.459 4.098) 4.179 7.530 ( -0.914 2.494 -3.816) 4.650 7.657 ( 1.652 2.747 1.071) 3.380 7.712 ( -1.602 0.224 -2.145) 2.687 7.931 ( -2.331 13.098 2.111) 13.470 8.117 ( 1.216 -3.182 0.470) 3.439 8.308 ( -4.321 -0.002 6.569) 7.863 8.449 ( 1.555 0.097 -3.568) 3.894 8.501 ( 5.176 -2.557 -9.684) 11.274 8.682 ( -0.326 -9.592 0.957) 9.645 8.879 ( 1.125 4.170 -0.022) 4.319 8.990 ( -1.679 3.066 -1.238) 3.708 9.457 ( -2.118 -5.862 6.193) 8.786 9.706 ( 1.185 -7.479 -3.385) 8.295 9.989 ( 0.018 -10.088 2.740) 10.453 10.019 ( -0.194 -10.162 -0.699) 10.188 ======================= Grid point 146 (73/91) ======================= q-point: ( 0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.828 10.976 -1.127) 11.065 1.564 ( 2.993 12.471 4.074) 13.457 1.605 ( 7.097 12.178 7.385) 15.912 1.704 ( 3.651 10.855 -9.197) 14.688 1.788 ( 1.610 7.227 -2.391) 7.781 1.987 ( -1.598 8.604 -2.791) 9.185 2.088 ( -7.572 6.155 -1.847) 9.931 2.165 ( -3.548 2.789 -2.413) 5.118 2.338 ( -5.670 5.063 -2.302) 7.942 2.443 ( 0.778 3.559 -2.655) 4.508 2.486 ( 1.525 5.120 0.088) 5.343 2.585 ( 3.550 5.682 2.747) 7.241 2.790 ( 1.400 11.804 -0.225) 11.889 2.905 ( -0.092 10.040 4.852) 11.152 3.025 ( 1.112 9.324 2.107) 9.624 3.138 ( 2.154 11.526 -0.843) 11.756 3.297 ( 1.584 15.262 3.328) 15.700 3.359 ( 0.213 22.089 -0.826) 22.106 3.483 ( -2.849 2.640 -0.606) 3.931 3.657 ( -1.506 -1.057 -1.300) 2.252 3.715 ( -2.145 -2.566 -0.819) 3.443 3.814 ( 1.336 -3.765 -0.447) 4.020 4.041 ( -0.658 0.759 -1.556) 1.852 4.194 ( 1.608 -3.505 3.230) 5.030 5.240 ( -1.773 -1.189 -0.358) 2.165 5.302 ( -2.386 -0.458 0.463) 2.473 5.728 ( 0.580 1.688 -1.373) 2.252 5.815 ( -2.146 0.263 0.543) 2.229 6.020 ( -0.230 0.826 0.205) 0.881 6.248 ( 2.122 3.491 0.491) 4.115 6.334 ( -2.479 2.000 0.325) 3.202 6.411 ( 3.011 -0.648 -1.276) 3.334 6.476 ( 0.691 -0.587 1.305) 1.589 6.611 ( -2.853 3.027 -0.746) 4.226 6.615 ( -1.811 2.380 1.099) 3.186 6.658 ( -0.137 -2.647 0.729) 2.749 6.736 ( -2.527 2.680 -3.220) 4.893 6.845 ( 1.114 1.473 1.379) 2.305 6.896 ( 3.708 4.953 0.662) 6.222 6.989 ( -0.844 5.530 0.663) 5.633 7.089 ( 2.822 4.727 -2.195) 5.926 7.171 ( 0.494 3.566 0.347) 3.617 7.270 ( -4.777 1.603 2.343) 5.556 7.305 ( 0.054 5.929 -3.235) 6.754 7.496 ( 2.276 1.824 1.843) 3.450 7.514 ( 1.396 2.797 -1.408) 3.428 7.663 ( -0.258 6.741 -1.970) 7.028 7.703 ( 0.439 -1.529 2.016) 2.568 7.902 ( -1.897 9.029 3.217) 9.771 8.164 ( 3.134 -0.433 -0.447) 3.195 8.279 ( -2.518 -0.987 4.686) 5.410 8.454 ( 0.436 -1.690 0.158) 1.753 8.528 ( 4.273 -0.616 -11.172) 11.977 8.684 ( -0.164 -10.131 0.866) 10.169 8.827 ( -4.833 4.259 -0.815) 6.493 8.992 ( 0.921 2.338 1.167) 2.771 9.481 ( 0.305 -5.255 5.973) 7.961 9.701 ( 0.626 -7.666 -3.587) 8.487 9.996 ( -0.952 -8.958 1.034) 9.067 10.000 ( -1.026 -10.702 -0.050) 10.752 ======================= Grid point 147 (74/91) ======================= q-point: ( 0.40 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.537 12.027 -2.192) 12.237 1.639 ( 2.316 9.459 -4.463) 10.713 1.706 ( 4.390 9.557 3.419) 11.059 1.801 ( 4.815 8.596 0.976) 9.901 1.890 ( 5.522 10.208 2.205) 11.813 1.926 ( -1.917 9.572 1.823) 9.931 1.943 ( -4.654 5.813 -0.632) 7.473 2.068 ( -2.025 4.619 -6.800) 8.466 2.229 ( -3.680 4.337 -2.396) 6.172 2.379 ( -2.927 4.566 -7.793) 9.495 2.532 ( 1.462 2.694 1.699) 3.504 2.651 ( 1.283 7.789 3.230) 8.529 2.812 ( -0.168 15.716 1.873) 15.828 2.925 ( -0.056 12.638 2.695) 12.922 3.050 ( -0.693 5.322 1.890) 5.690 3.151 ( 0.299 12.706 -3.381) 13.152 3.305 ( -2.079 11.361 2.368) 11.790 3.375 ( -0.414 13.149 6.196) 14.541 3.485 ( 3.951 10.043 -2.554) 11.090 3.637 ( -1.175 -2.668 -0.892) 3.048 3.671 ( 0.089 -4.703 -2.527) 5.340 3.814 ( -0.566 1.757 -0.321) 1.874 4.010 ( -1.253 2.671 -1.645) 3.378 4.244 ( 1.074 -6.729 2.793) 7.364 5.212 ( -0.702 -0.163 -0.278) 0.772 5.265 ( -1.411 -1.351 0.742) 2.090 5.725 ( 0.031 3.091 -1.895) 3.626 5.782 ( -1.044 0.069 0.404) 1.122 6.018 ( -0.093 1.142 0.163) 1.157 6.296 ( 2.150 2.313 1.621) 3.550 6.299 ( -1.104 1.198 -0.016) 1.629 6.403 ( -2.478 1.934 -2.108) 3.785 6.487 ( -0.626 0.922 1.551) 1.910 6.581 ( -1.655 2.883 0.341) 3.341 6.586 ( 0.400 0.516 -1.879) 1.989 6.682 ( 2.467 -1.913 -0.450) 3.154 6.715 ( 1.194 1.651 -0.370) 2.071 6.834 ( -2.060 4.109 1.371) 4.796 6.962 ( 2.329 5.180 0.531) 5.704 6.992 ( 0.423 5.827 -0.447) 5.860 7.100 ( -1.061 2.417 -1.840) 3.218 7.189 ( 1.200 3.473 0.482) 3.706 7.208 ( -1.099 2.355 1.849) 3.190 7.279 ( -2.291 5.480 -0.848) 6.000 7.519 ( -1.648 3.584 3.127) 5.034 7.541 ( 2.950 2.365 -3.188) 4.945 7.665 ( 0.957 7.121 -0.729) 7.221 7.717 ( 0.411 1.411 0.757) 1.653 7.910 ( 0.672 3.593 1.935) 4.136 8.204 ( 0.455 2.166 1.077) 2.462 8.279 ( 0.104 -2.542 2.482) 3.554 8.466 ( -0.034 -2.195 0.565) 2.267 8.513 ( 1.290 -2.319 -7.579) 8.030 8.678 ( -0.507 -7.568 -1.408) 7.715 8.756 ( -2.106 4.035 1.599) 4.825 9.014 ( 1.148 0.510 -0.285) 1.288 9.528 ( 0.059 -5.201 5.637) 7.670 9.688 ( 0.647 -7.315 -3.644) 8.198 9.962 ( -1.844 -8.600 -0.201) 8.798 9.997 ( -0.166 -9.767 0.736) 9.796 ======================= Grid point 148 (75/91) ======================= q-point: (-0.40 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -1.287 14.040 -0.172) 14.100 1.589 ( -5.059 9.971 -1.087) 11.234 1.769 ( -4.838 9.373 -2.705) 10.889 1.815 ( 2.421 5.340 1.184) 5.981 1.914 ( 4.247 7.589 3.019) 9.205 1.922 ( 2.765 6.089 -3.544) 7.569 2.012 ( 6.016 10.379 -3.139) 12.400 2.046 ( -3.860 9.892 -4.820) 11.661 2.222 ( 5.970 4.758 0.211) 7.637 2.301 ( 0.737 0.085 -3.916) 3.986 2.539 ( -1.720 2.882 0.898) 3.475 2.669 ( -0.911 7.878 1.314) 8.039 2.804 ( -2.425 18.086 4.097) 18.702 2.951 ( 2.033 13.494 -0.219) 13.648 3.012 ( -4.864 6.169 3.841) 8.745 3.112 ( -3.082 16.150 1.143) 16.481 3.294 ( -1.133 9.926 2.251) 10.241 3.420 ( 2.354 2.098 1.697) 3.581 3.513 ( -0.651 6.882 -2.645) 7.402 3.601 ( 0.033 5.029 -0.496) 5.053 3.699 ( 3.413 -6.893 -3.157) 8.314 3.817 ( 1.184 7.557 -0.452) 7.663 3.982 ( -1.299 1.515 0.873) 2.179 4.257 ( -1.212 -7.558 1.457) 7.792 5.210 ( 0.707 0.218 -0.150) 0.755 5.274 ( 1.941 -1.890 -0.025) 2.709 5.706 ( -0.857 3.423 -0.078) 3.530 5.792 ( 1.788 0.181 -0.617) 1.900 6.018 ( -0.014 1.054 0.187) 1.071 6.292 ( -0.354 0.523 0.416) 0.756 6.323 ( -1.250 0.394 -0.402) 1.371 6.360 ( 0.463 3.499 1.627) 3.886 6.486 ( -0.574 1.428 1.989) 2.515 6.570 ( 0.084 3.508 0.843) 3.608 6.587 ( 1.624 0.270 -2.441) 2.944 6.685 ( -2.705 -3.478 -0.250) 4.413 6.735 ( 2.139 3.412 -2.408) 4.692 6.847 ( 2.055 4.652 0.663) 5.129 6.972 ( -1.302 4.474 -1.588) 4.923 6.990 ( 0.034 6.382 0.751) 6.426 7.069 ( -1.492 2.114 1.329) 2.909 7.188 ( -1.067 4.359 0.567) 4.523 7.230 ( 0.444 2.827 -0.361) 2.884 7.260 ( 1.841 5.316 0.643) 5.662 7.479 ( -3.629 1.650 2.886) 4.922 7.577 ( 2.098 2.112 -1.915) 3.539 7.661 ( -1.237 6.888 -0.638) 7.028 7.736 ( 1.640 2.463 -1.365) 3.259 7.935 ( 1.176 2.612 -0.473) 2.904 8.185 ( -3.751 3.378 3.025) 5.885 8.314 ( 2.079 -3.694 1.844) 4.622 8.436 ( -1.249 -0.912 -3.103) 3.467 8.510 ( 0.891 -4.257 -3.247) 5.428 8.670 ( 1.027 -5.133 -1.108) 5.350 8.760 ( 0.991 3.254 1.827) 3.861 9.031 ( 1.344 0.096 -2.065) 2.465 9.530 ( -3.488 -5.973 4.930) 8.494 9.690 ( 1.909 -6.662 -3.435) 7.735 9.942 ( -0.499 -8.456 1.770) 8.654 10.004 ( 0.626 -9.653 -0.014) 9.674 ======================= Grid point 149 (76/91) ======================= q-point: (-0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -1.314 15.409 1.801) 15.570 1.490 ( -5.985 12.523 7.246) 15.657 1.662 ( -4.240 9.245 -6.472) 12.055 1.816 ( -0.254 7.039 -3.558) 7.891 1.867 ( -4.105 8.871 -13.630) 16.773 1.969 ( 3.352 6.397 -0.752) 7.261 2.060 ( 6.955 7.652 1.506) 10.449 2.131 ( 6.387 4.500 0.611) 7.837 2.333 ( 6.470 3.292 -1.879) 7.498 2.355 ( 1.943 6.500 3.324) 7.554 2.496 ( -2.255 1.717 0.254) 2.845 2.633 ( -3.269 6.465 -1.019) 7.316 2.782 ( -1.859 14.529 2.045) 14.790 2.941 ( -5.168 8.945 4.413) 11.234 2.983 ( 0.969 15.264 -0.083) 15.295 3.079 ( -1.536 14.996 4.237) 15.658 3.264 ( -3.528 7.985 3.314) 9.337 3.448 ( -1.758 14.475 -4.243) 15.186 3.493 ( 3.604 -0.807 -0.805) 3.780 3.638 ( 3.570 8.729 -0.978) 9.482 3.732 ( 1.586 -10.167 -1.415) 10.387 3.821 ( -0.830 3.898 -1.169) 4.153 3.989 ( 0.764 1.785 3.308) 3.836 4.223 ( -2.745 -5.598 0.326) 6.243 5.236 ( 1.890 -0.569 -0.053) 1.975 5.315 ( 2.188 -1.256 -0.738) 2.629 5.704 ( 0.300 2.660 0.830) 2.802 5.824 ( 1.693 -0.034 -0.337) 1.726 6.021 ( 0.121 0.684 0.168) 0.715 6.253 ( -2.637 2.741 -0.128) 3.805 6.334 ( 1.703 -0.040 0.723) 1.851 6.381 ( -0.126 0.770 1.198) 1.430 6.472 ( -2.474 0.536 1.784) 3.097 6.590 ( 1.117 2.674 1.663) 3.341 6.608 ( 1.303 0.753 0.590) 1.616 6.672 ( 2.683 -0.881 -1.402) 3.153 6.748 ( 1.021 1.718 -3.168) 3.745 6.856 ( -1.367 4.385 0.851) 4.671 6.928 ( -1.965 4.199 -3.149) 5.604 7.009 ( 2.150 5.452 0.109) 5.862 7.037 ( -3.480 4.141 1.992) 5.765 7.168 ( -0.693 4.891 0.789) 5.002 7.266 ( 0.288 6.452 0.037) 6.459 7.298 ( 4.707 1.948 -0.437) 5.113 7.442 ( -2.874 -0.061 3.560) 4.576 7.584 ( -0.701 1.252 -3.779) 4.042 7.629 ( -0.485 4.419 1.030) 4.563 7.744 ( 0.184 1.628 -2.472) 2.965 7.944 ( 0.272 9.313 -0.653) 9.340 8.129 ( -3.475 -1.096 2.956) 4.692 8.343 ( -3.393 -1.800 7.397) 8.335 8.423 ( 5.103 1.159 -9.980) 11.268 8.493 ( 0.152 -4.087 -3.301) 5.256 8.682 ( -0.017 -8.707 0.621) 8.729 8.817 ( 3.830 5.355 1.007) 6.660 9.029 ( -0.057 1.321 -3.090) 3.361 9.483 ( -4.406 -6.120 5.487) 9.326 9.702 ( 1.616 -6.922 -3.448) 7.901 9.963 ( 0.573 -9.447 3.192) 9.988 10.016 ( 0.717 -9.912 -0.479) 9.950 ======================= Grid point 150 (77/91) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -1.198 11.451 1.431) 11.602 1.744 ( 1.406 11.409 3.714) 12.080 1.767 ( -1.228 10.214 -1.705) 10.428 1.887 ( 0.732 4.900 -8.888) 10.176 1.960 ( 0.349 9.141 -3.649) 9.848 2.153 ( 1.608 6.252 -1.121) 6.552 2.215 ( 0.540 -1.100 -1.213) 1.725 2.249 ( 0.728 1.987 -1.585) 2.644 2.391 ( -0.356 1.051 0.876) 1.414 2.505 ( 0.857 2.837 5.819) 6.531 2.594 ( 2.361 2.787 -0.290) 3.664 2.631 ( -1.228 3.914 -5.301) 6.703 2.950 ( 0.610 4.008 0.583) 4.096 2.959 ( -3.237 1.557 1.876) 4.052 3.132 ( -0.134 -1.724 5.360) 5.632 3.249 ( -1.974 -2.188 0.472) 2.985 3.450 ( 3.600 5.267 -0.415) 6.394 3.520 ( -2.550 2.334 0.637) 3.516 3.614 ( -1.616 4.308 0.346) 4.614 3.752 ( 2.154 11.126 0.155) 11.334 3.899 ( 3.717 8.124 -0.329) 8.940 3.929 ( -2.549 17.618 -2.975) 18.048 4.136 ( -0.545 10.906 2.302) 11.160 4.175 ( -0.968 3.512 0.494) 3.677 5.247 ( -0.031 0.186 -0.361) 0.407 5.332 ( -0.054 0.367 -0.273) 0.460 5.764 ( 0.316 2.678 0.151) 2.700 5.840 ( -0.257 0.073 0.356) 0.445 6.057 ( -0.222 3.412 0.720) 3.494 6.300 ( 0.375 4.349 -0.009) 4.365 6.353 ( 0.687 -0.878 1.340) 1.743 6.390 ( -0.112 -0.304 -0.409) 0.522 6.449 ( 0.210 1.050 -0.290) 1.110 6.591 ( -1.848 -0.957 2.513) 3.263 6.635 ( 2.134 -0.197 -0.737) 2.267 6.725 ( -0.050 0.797 -0.571) 0.982 6.785 ( 1.200 -0.945 0.201) 1.540 6.862 ( -2.945 1.620 -1.595) 3.720 6.953 ( -0.434 3.428 -1.445) 3.746 7.108 ( -0.098 3.660 0.737) 3.735 7.125 ( -0.092 4.041 2.661) 4.839 7.227 ( 1.281 2.269 -1.142) 2.845 7.352 ( -5.927 -3.072 3.876) 7.719 7.425 ( 5.510 2.219 -1.636) 6.161 7.459 ( 1.845 8.332 -1.006) 8.593 7.534 ( 0.269 -3.213 -1.435) 3.529 7.660 ( -1.579 2.814 1.229) 3.452 7.808 ( 0.252 5.285 -3.622) 6.412 7.968 ( 0.266 -9.277 -0.242) 9.284 8.165 ( -1.876 8.269 3.184) 9.057 8.308 ( -1.909 -1.268 4.310) 4.881 8.413 ( 0.978 -3.248 -3.169) 4.642 8.508 ( -0.634 -6.083 0.230) 6.120 8.531 ( 4.620 4.424 -7.162) 9.602 8.964 ( -0.359 3.920 -0.375) 3.954 9.061 ( -0.735 4.078 0.309) 4.155 9.344 ( -1.372 -5.481 5.363) 7.790 9.566 ( 0.748 -6.526 -3.293) 7.348 9.806 ( 0.086 -8.117 1.562) 8.267 9.839 ( -0.189 -7.843 -0.216) 7.849 ======================= Grid point 151 (78/91) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.318 10.825 0.455) 10.840 1.789 ( 2.691 9.447 1.142) 9.889 1.823 ( 2.967 9.159 2.626) 9.979 1.865 ( 4.517 5.714 -5.889) 9.367 1.948 ( 0.207 9.028 -1.792) 9.206 2.123 ( -3.681 5.249 -2.668) 6.944 2.181 ( -2.594 1.894 -0.816) 3.314 2.206 ( -1.449 3.514 -2.611) 4.611 2.444 ( -4.613 4.995 -1.778) 7.028 2.455 ( 0.553 -0.385 0.788) 1.037 2.568 ( 0.234 1.472 -3.045) 3.390 2.664 ( 2.125 2.837 1.197) 3.741 2.972 ( 3.095 4.814 0.216) 5.727 3.023 ( 4.159 2.210 5.547) 7.277 3.159 ( 0.025 0.155 2.425) 2.430 3.231 ( -0.951 -5.962 3.189) 6.828 3.408 ( -3.858 2.470 -3.456) 5.738 3.511 ( -1.370 5.254 0.091) 5.431 3.595 ( -0.544 4.316 3.041) 5.308 3.777 ( -0.124 7.994 0.840) 8.039 3.817 ( -3.558 12.683 -6.395) 14.643 3.998 ( 4.487 17.509 0.166) 18.075 4.152 ( -1.144 5.862 2.952) 6.662 4.167 ( 1.164 7.157 0.223) 7.254 5.234 ( -1.064 0.470 -0.011) 1.164 5.304 ( -2.476 0.504 0.019) 2.527 5.775 ( 1.050 2.787 -0.585) 3.035 5.826 ( -1.457 0.752 0.358) 1.678 6.060 ( -0.020 3.415 0.501) 3.452 6.319 ( 1.154 3.836 0.100) 4.008 6.364 ( -1.522 0.668 -1.337) 2.133 6.397 ( 3.202 -0.362 0.589) 3.276 6.463 ( 1.254 -0.144 -0.334) 1.306 6.574 ( -1.066 -1.689 1.243) 2.353 6.661 ( -3.278 0.486 0.641) 3.375 6.667 ( -0.599 1.338 -2.371) 2.787 6.743 ( -2.499 -0.761 -1.342) 2.937 6.876 ( 1.514 0.908 3.105) 3.572 6.981 ( 2.984 2.681 0.526) 4.046 7.106 ( 0.151 5.560 0.285) 5.569 7.163 ( 2.507 2.434 1.117) 3.668 7.224 ( -3.413 1.765 -0.146) 3.845 7.274 ( -2.432 -0.551 2.638) 3.630 7.411 ( -3.103 2.889 -1.341) 4.446 7.528 ( 4.389 2.408 -3.580) 6.155 7.562 ( 3.615 1.290 -1.986) 4.322 7.689 ( 2.411 1.762 2.914) 4.172 7.789 ( -0.504 4.935 -1.293) 5.126 7.958 ( -0.387 -3.884 -1.103) 4.056 8.168 ( -1.022 2.546 5.323) 5.988 8.307 ( 0.582 0.807 -0.040) 0.996 8.400 ( -0.682 -3.261 -1.166) 3.530 8.481 ( -1.976 -5.098 -1.260) 5.611 8.576 ( 3.961 1.834 -5.780) 7.243 8.916 ( -3.770 4.487 0.874) 5.925 9.055 ( -0.626 3.888 0.844) 4.028 9.375 ( 0.918 -5.380 4.814) 7.278 9.557 ( 0.380 -6.791 -3.037) 7.449 9.809 ( -0.391 -8.201 0.304) 8.216 9.835 ( -0.224 -7.162 0.350) 7.174 ======================= Grid point 152 (79/91) ======================= q-point: ( 0.40 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 1.481 10.958 -1.018) 11.104 1.806 ( -0.446 6.022 -4.084) 7.290 1.857 ( 2.786 5.641 0.708) 6.331 1.946 ( 1.023 7.503 -1.716) 7.764 2.013 ( 1.682 4.122 1.090) 4.583 2.063 ( 5.161 6.506 3.903) 9.176 2.131 ( -3.899 8.617 2.191) 9.709 2.178 ( 2.152 6.147 -5.584) 8.579 2.305 ( -4.365 3.488 -2.978) 6.332 2.438 ( -5.634 1.212 -8.585) 10.340 2.543 ( 1.558 -0.533 0.190) 1.658 2.732 ( 1.991 1.291 3.689) 4.386 3.009 ( -0.205 2.101 0.621) 2.200 3.127 ( 1.342 5.683 4.066) 7.115 3.175 ( 0.613 1.963 5.966) 6.310 3.260 ( 1.149 -2.530 4.058) 4.918 3.338 ( -1.207 -2.523 -2.267) 3.600 3.451 ( -2.274 2.153 -4.922) 5.834 3.620 ( -0.205 8.172 4.041) 9.118 3.709 ( -2.876 9.726 -3.818) 10.837 3.782 ( 0.471 9.320 -1.833) 9.510 4.063 ( 2.333 14.735 -1.222) 14.968 4.138 ( -1.878 5.415 4.571) 7.331 4.198 ( 1.451 10.583 -1.092) 10.738 5.222 ( -0.024 1.117 0.246) 1.144 5.260 ( -1.774 0.524 0.043) 1.851 5.792 ( 0.681 3.331 -1.405) 3.679 5.799 ( -0.900 1.475 0.612) 1.833 6.060 ( -0.194 3.305 0.273) 3.322 6.326 ( -1.549 1.588 0.092) 2.220 6.336 ( 0.299 2.198 0.414) 2.257 6.437 ( 0.518 1.337 -1.206) 1.873 6.500 ( 2.075 0.708 -0.495) 2.247 6.561 ( -0.718 -2.157 -0.267) 2.289 6.595 ( -1.655 -2.364 1.241) 3.141 6.633 ( -1.522 0.841 -0.910) 1.962 6.749 ( 2.396 0.659 -1.428) 2.866 6.904 ( -0.226 1.575 2.893) 3.301 7.031 ( 1.417 1.194 0.186) 1.862 7.110 ( -0.605 5.491 -0.346) 5.535 7.166 ( -1.358 2.705 1.601) 3.424 7.232 ( 3.584 0.731 1.673) 4.022 7.244 ( -1.940 3.097 0.773) 3.735 7.345 ( -3.581 1.465 -0.068) 3.870 7.557 ( -0.045 -0.508 -0.749) 0.906 7.608 ( 2.549 4.101 -3.695) 6.080 7.742 ( 1.641 1.703 1.262) 2.681 7.785 ( 0.714 3.647 -0.350) 3.732 7.953 ( 0.646 2.013 -1.550) 2.622 8.193 ( 0.738 -1.668 4.137) 4.521 8.330 ( 1.684 4.036 -1.245) 4.547 8.378 ( -1.453 -6.046 0.219) 6.222 8.417 ( -2.618 -5.751 -2.445) 6.775 8.600 ( 1.448 0.548 -2.897) 3.285 8.873 ( -1.139 6.252 1.078) 6.445 9.047 ( -0.340 2.671 0.149) 2.697 9.418 ( -0.369 -5.735 5.041) 7.645 9.546 ( 1.020 -6.878 -3.375) 7.730 9.799 ( -0.659 -7.337 -0.075) 7.367 9.834 ( -0.157 -6.712 0.479) 6.731 ======================= Grid point 153 (80/91) ======================= q-point: (-0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.940 12.036 -2.013) 12.239 1.762 ( -2.633 6.599 -0.371) 7.115 1.891 ( 0.406 4.038 -1.854) 4.461 1.944 ( -0.505 7.265 -1.804) 7.503 2.006 ( 1.117 4.474 0.049) 4.612 2.090 ( 0.226 9.116 3.172) 9.654 2.205 ( 0.129 7.949 -5.786) 9.833 2.223 ( -1.796 7.034 -7.092) 10.149 2.271 ( 3.744 -1.698 2.048) 4.593 2.309 ( 6.739 3.187 -0.476) 7.470 2.542 ( -2.376 -1.216 0.628) 2.742 2.757 ( -1.126 1.584 1.137) 2.252 2.995 ( -1.700 0.926 2.498) 3.161 3.127 ( -2.145 1.487 3.074) 4.033 3.204 ( -5.925 8.851 4.747) 11.660 3.269 ( 1.043 -1.848 1.970) 2.896 3.361 ( -0.696 0.297 -0.861) 1.147 3.406 ( 4.385 -2.765 -2.677) 5.834 3.640 ( 1.227 13.337 2.423) 13.611 3.675 ( 0.628 8.039 -3.259) 8.697 3.787 ( 1.199 7.286 -1.044) 7.458 4.057 ( -1.797 6.783 -0.319) 7.024 4.149 ( -0.528 14.188 3.459) 14.613 4.201 ( 0.030 8.783 -1.667) 8.939 5.226 ( 0.297 1.302 -0.182) 1.348 5.261 ( 2.045 0.328 -0.086) 2.073 5.772 ( -1.116 3.025 0.534) 3.269 5.815 ( 1.389 1.885 -0.963) 2.532 6.058 ( -0.169 3.238 0.409) 3.268 6.310 ( -0.561 1.345 1.332) 1.974 6.336 ( -0.848 1.321 0.668) 1.706 6.424 ( -1.012 2.637 0.020) 2.825 6.496 ( -1.357 0.296 0.029) 1.389 6.571 ( 1.172 -0.647 -1.260) 1.838 6.595 ( 0.826 -3.584 0.844) 3.774 6.620 ( 0.209 0.567 0.371) 0.709 6.777 ( 1.994 0.795 -3.781) 4.347 6.926 ( 1.060 1.590 1.140) 2.225 7.030 ( -1.059 0.702 -0.456) 1.350 7.096 ( -0.530 5.077 1.015) 5.205 7.158 ( -1.606 5.246 3.417) 6.464 7.249 ( -2.050 1.600 -0.354) 2.624 7.257 ( 1.337 1.351 -0.544) 1.977 7.331 ( 3.269 1.695 1.206) 3.875 7.514 ( -4.487 0.796 2.003) 4.978 7.599 ( -1.195 1.365 -1.473) 2.337 7.765 ( -0.560 1.819 -0.257) 1.920 7.805 ( 2.719 4.458 -3.191) 6.120 7.949 ( -0.016 0.565 -1.288) 1.406 8.248 ( 3.033 -1.601 0.485) 3.464 8.281 ( -5.298 2.345 2.657) 6.374 8.377 ( 0.473 -2.799 -0.124) 2.842 8.417 ( 3.869 -5.926 -3.010) 7.691 8.588 ( -1.199 0.038 -1.398) 1.842 8.886 ( 1.934 6.759 -0.047) 7.030 9.052 ( 0.982 2.022 -0.469) 2.296 9.409 ( -3.832 -6.104 5.105) 8.832 9.558 ( 2.284 -6.627 -3.664) 7.910 9.789 ( -0.597 -6.790 0.926) 6.879 9.837 ( 0.212 -6.993 0.185) 6.999 ======================= Grid point 154 (81/91) ======================= q-point: (-0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -0.650 12.150 -1.465) 12.255 1.723 ( -1.996 10.325 3.985) 11.246 1.837 ( -3.064 8.087 -3.843) 9.464 1.930 ( -0.273 4.773 -2.711) 5.496 2.005 ( -2.092 5.969 -6.607) 9.146 2.100 ( 2.812 5.974 -2.703) 7.134 2.168 ( 5.045 3.227 1.649) 6.211 2.218 ( 1.423 4.327 -4.699) 6.544 2.397 ( 6.933 3.257 3.688) 8.501 2.442 ( -1.139 1.795 1.593) 2.657 2.505 ( 2.686 0.113 1.114) 2.910 2.711 ( -3.230 2.291 -1.606) 4.274 2.973 ( -1.969 4.593 0.187) 5.001 3.067 ( -8.565 1.801 1.473) 8.875 3.112 ( -2.036 -2.612 6.162) 6.996 3.289 ( -1.348 -1.878 -1.809) 2.935 3.362 ( 3.955 7.887 1.077) 8.889 3.503 ( 3.452 -1.300 2.548) 4.483 3.652 ( -0.834 6.366 -4.008) 7.568 3.699 ( 2.616 15.526 2.638) 15.964 3.820 ( 3.491 5.730 -1.213) 6.818 4.007 ( -3.352 11.375 -0.616) 11.874 4.145 ( -1.568 11.857 2.159) 12.154 4.189 ( -0.439 6.455 -0.659) 6.503 5.238 ( 1.047 0.715 -0.461) 1.349 5.308 ( 2.522 0.268 -0.358) 2.561 5.762 ( -0.373 3.047 0.562) 3.120 5.833 ( 0.857 0.678 -0.178) 1.108 6.058 ( -0.260 3.344 0.629) 3.413 6.308 ( -1.155 2.999 1.085) 3.392 6.333 ( 0.455 0.015 1.626) 1.689 6.402 ( -1.394 0.926 -0.065) 1.675 6.462 ( -1.568 -0.531 0.043) 1.656 6.586 ( 1.393 -0.273 -0.284) 1.448 6.618 ( -0.307 0.570 1.761) 1.877 6.665 ( 4.207 -1.107 0.608) 4.392 6.777 ( 1.231 0.839 -4.302) 4.553 6.924 ( -1.630 1.159 -1.263) 2.365 6.998 ( -2.062 2.210 -1.330) 3.302 7.098 ( 0.092 4.503 1.027) 4.619 7.140 ( -3.560 5.585 3.999) 7.737 7.216 ( 0.709 -0.187 0.547) 0.915 7.320 ( 4.574 0.644 -2.182) 5.108 7.393 ( 2.722 3.155 0.413) 4.188 7.448 ( -3.911 2.452 3.511) 5.800 7.562 ( -1.824 -1.501 -0.865) 2.516 7.717 ( -3.812 4.128 -0.244) 5.625 7.821 ( 1.405 4.818 -4.466) 6.718 7.952 ( 1.104 -6.829 -0.546) 6.939 8.202 ( -3.869 6.630 2.126) 7.965 8.305 ( 0.087 -2.198 3.857) 4.440 8.395 ( 3.023 -3.785 -3.933) 6.240 8.471 ( 3.451 -1.627 -2.259) 4.434 8.548 ( -1.719 -0.486 -1.432) 2.289 8.933 ( 3.079 5.572 -0.730) 6.408 9.067 ( 0.640 2.669 -0.663) 2.823 9.363 ( -4.142 -5.892 5.449) 9.031 9.570 ( 1.394 -6.370 -3.710) 7.502 9.793 ( -0.007 -7.507 1.859) 7.733 9.841 ( 0.127 -7.570 -0.116) 7.571 ======================= Grid point 155 (82/91) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -1.124 7.446 0.606) 7.555 1.888 ( 1.403 3.676 -2.106) 4.463 1.953 ( 0.262 5.498 -0.966) 5.588 1.981 ( -0.501 7.189 -2.564) 7.649 2.123 ( 0.359 6.611 -1.634) 6.819 2.162 ( 0.953 -2.232 -1.290) 2.748 2.255 ( 0.808 3.089 -1.207) 3.413 2.286 ( 0.084 1.704 -1.707) 2.413 2.449 ( -0.246 4.605 0.564) 4.646 2.523 ( 1.243 -0.008 4.440) 4.611 2.614 ( 4.089 -0.336 0.537) 4.138 2.672 ( -3.289 0.367 -4.487) 5.575 2.933 ( 0.542 -4.201 3.503) 5.497 2.956 ( -2.095 -3.935 2.031) 4.899 3.005 ( -1.343 -7.418 0.732) 7.574 3.110 ( -0.450 -6.776 -0.576) 6.816 3.560 ( 1.570 4.364 1.330) 4.824 3.596 ( -0.942 4.369 0.231) 4.476 3.754 ( -0.723 7.577 -0.488) 7.627 3.859 ( -0.899 2.441 0.587) 2.666 4.113 ( 2.583 11.297 -1.758) 11.721 4.210 ( 1.797 6.732 -1.009) 7.041 4.328 ( -2.030 14.342 1.787) 14.595 4.409 ( -1.263 12.362 1.114) 12.476 5.264 ( -0.137 1.405 -0.246) 1.433 5.337 ( -0.012 0.022 -0.157) 0.159 5.812 ( -0.096 1.860 0.821) 2.035 5.843 ( 0.141 0.352 -0.481) 0.613 6.154 ( -0.294 5.969 1.284) 6.113 6.326 ( 0.503 -1.212 -0.438) 1.384 6.378 ( 0.193 -0.464 0.280) 0.575 6.395 ( 0.530 4.375 0.242) 4.414 6.491 ( 0.445 2.995 -0.232) 3.036 6.604 ( -2.304 0.664 1.836) 3.020 6.637 ( 1.112 1.526 -0.272) 1.908 6.717 ( 3.307 -1.587 0.938) 3.787 6.745 ( -1.877 -2.279 -2.481) 3.856 6.882 ( -1.657 0.721 -0.858) 2.000 6.995 ( -0.407 0.658 -0.450) 0.895 7.116 ( 0.153 -2.702 0.583) 2.769 7.212 ( -1.739 1.536 3.626) 4.305 7.247 ( -0.424 0.816 3.036) 3.172 7.294 ( -0.731 0.157 -2.358) 2.474 7.456 ( 1.568 0.172 -1.288) 2.036 7.482 ( 1.296 -0.892 0.411) 1.626 7.609 ( 1.879 6.360 -0.752) 6.675 7.726 ( -2.375 2.650 0.074) 3.559 7.771 ( 0.938 -8.646 0.272) 8.701 7.910 ( 0.913 3.983 -3.587) 5.437 8.198 ( -0.140 -5.232 -0.686) 5.279 8.265 ( -2.849 -0.613 2.912) 4.120 8.350 ( 1.560 -2.979 -3.095) 4.570 8.513 ( -0.016 4.745 1.159) 4.885 8.611 ( 2.209 3.014 -3.049) 4.823 9.030 ( -0.950 2.863 0.150) 3.021 9.146 ( -0.218 4.005 0.446) 4.036 9.247 ( -0.570 -3.854 3.640) 5.332 9.450 ( 0.280 -5.264 -2.327) 5.762 9.676 ( 0.077 -4.814 0.734) 4.870 9.710 ( -0.182 -5.177 0.121) 5.182 ======================= Grid point 156 (83/91) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -0.079 7.323 0.274) 7.329 1.892 ( 0.193 1.462 -2.321) 2.750 1.950 ( 0.137 4.888 -1.083) 5.008 2.005 ( 3.692 7.220 0.656) 8.136 2.113 ( -0.357 6.710 -1.243) 6.833 2.159 ( -0.341 -0.321 -2.408) 2.453 2.214 ( -1.563 2.478 -0.488) 2.970 2.309 ( 1.811 4.403 -1.592) 5.020 2.456 ( -1.236 1.409 0.744) 2.017 2.525 ( -3.351 2.402 -1.206) 4.295 2.565 ( -1.100 -0.194 -4.659) 4.791 2.693 ( 1.785 0.209 2.158) 2.808 2.953 ( 0.932 -5.915 1.267) 6.120 2.968 ( -0.146 -8.361 4.103) 9.314 3.048 ( 4.157 -5.196 2.487) 7.104 3.107 ( 0.500 -4.658 0.795) 4.752 3.518 ( -4.186 5.217 -0.962) 6.757 3.584 ( -2.216 3.229 -0.985) 4.039 3.743 ( 0.035 8.218 2.432) 8.570 3.872 ( 0.831 3.310 1.648) 3.790 4.075 ( -2.884 11.458 -4.735) 12.729 4.193 ( -2.258 4.133 -1.957) 5.100 4.368 ( 3.416 15.562 2.553) 16.136 4.435 ( 2.218 12.824 1.973) 13.163 5.255 ( -0.696 1.517 0.181) 1.679 5.314 ( -2.074 0.375 -0.005) 2.108 5.822 ( 0.503 1.623 0.719) 1.845 5.844 ( 0.316 1.058 -0.873) 1.407 6.155 ( -0.368 5.897 0.812) 5.964 6.343 ( 1.468 -1.715 -1.006) 2.471 6.389 ( 0.452 1.042 0.181) 1.150 6.406 ( 1.272 2.500 -0.603) 2.869 6.490 ( -0.152 2.622 -0.755) 2.733 6.580 ( -1.469 1.463 2.644) 3.360 6.642 ( -3.537 -1.542 -0.431) 3.883 6.687 ( 0.575 0.246 -2.921) 2.987 6.734 ( -0.998 0.484 -0.427) 1.189 6.876 ( 0.462 -0.435 2.422) 2.504 7.005 ( 1.105 -0.260 0.583) 1.276 7.130 ( 0.421 -4.415 0.423) 4.456 7.212 ( -0.665 3.007 1.304) 3.344 7.221 ( -2.149 -0.308 4.216) 4.742 7.302 ( 1.473 2.599 -0.354) 3.008 7.433 ( -2.365 1.098 -1.021) 2.800 7.513 ( 1.142 -2.438 -1.442) 3.054 7.638 ( 2.347 3.468 -3.343) 5.358 7.737 ( 3.493 1.165 0.400) 3.704 7.810 ( 1.647 -1.201 0.762) 2.176 7.924 ( 3.610 1.946 -2.918) 5.034 8.193 ( -1.192 -2.330 2.026) 3.309 8.223 ( -2.157 -4.086 0.277) 4.629 8.336 ( -1.446 -3.093 -1.575) 3.760 8.510 ( -1.076 5.063 0.733) 5.228 8.623 ( 1.336 1.909 -3.690) 4.364 9.001 ( -1.973 4.133 1.369) 4.780 9.139 ( -1.132 4.366 0.377) 4.526 9.272 ( 0.965 -4.935 2.843) 5.776 9.435 ( -0.476 -5.541 -1.702) 5.816 9.681 ( 0.177 -4.615 0.184) 4.622 9.717 ( 0.561 -4.786 0.336) 4.831 ======================= Grid point 157 (84/91) ======================= q-point: ( 0.40 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 1.674 6.648 -0.830) 6.906 1.864 ( -1.061 1.249 -2.676) 3.138 1.952 ( 0.575 3.891 -0.898) 4.035 2.086 ( 1.365 5.419 -0.517) 5.612 2.111 ( 0.862 5.885 0.398) 5.961 2.134 ( 2.104 1.045 0.055) 2.349 2.238 ( 3.397 2.451 0.934) 4.292 2.323 ( 0.213 6.855 -0.866) 6.913 2.366 ( -4.595 2.778 -2.697) 6.009 2.441 ( -5.269 -0.141 -6.215) 8.149 2.538 ( 0.808 0.684 -0.976) 1.439 2.744 ( 1.134 0.539 3.699) 3.906 2.912 ( -3.021 -8.862 1.786) 9.531 3.066 ( 1.965 -7.966 2.719) 8.644 3.094 ( 2.580 -6.120 2.456) 7.081 3.180 ( 4.399 -4.195 1.629) 6.293 3.431 ( -5.324 5.640 1.954) 7.998 3.498 ( -3.445 2.529 -3.766) 5.696 3.797 ( 2.839 8.925 3.297) 9.929 3.898 ( 1.298 7.057 0.857) 7.226 3.991 ( -2.371 11.113 -5.069) 12.443 4.130 ( -2.995 2.564 -0.922) 4.049 4.442 ( 2.596 14.971 1.776) 15.298 4.477 ( 0.677 13.313 0.939) 13.364 5.250 ( 0.245 1.582 0.393) 1.648 5.277 ( -1.635 0.931 -0.002) 1.882 5.830 ( -0.429 1.484 0.855) 1.766 5.846 ( 0.850 1.971 -1.370) 2.546 6.150 ( -0.493 5.489 0.352) 5.523 6.353 ( 0.060 0.704 -0.861) 1.114 6.386 ( -0.655 2.612 0.381) 2.720 6.446 ( 2.517 -2.065 0.105) 3.257 6.485 ( 0.117 1.291 -0.495) 1.387 6.551 ( -4.039 -1.338 -0.478) 4.282 6.587 ( 0.288 2.220 2.093) 3.064 6.665 ( -1.156 2.695 -2.922) 4.140 6.743 ( 1.719 -1.147 -0.482) 2.122 6.901 ( 0.544 -1.262 1.814) 2.275 7.020 ( -0.003 -1.890 -0.290) 1.912 7.135 ( -0.539 -4.082 2.824) 4.993 7.209 ( 0.026 3.467 1.525) 3.787 7.249 ( 1.578 0.930 1.545) 2.396 7.320 ( 0.508 2.156 1.071) 2.460 7.378 ( -3.064 3.728 0.008) 4.826 7.497 ( -0.885 -4.467 -2.088) 5.010 7.662 ( 1.233 -0.392 -1.762) 2.186 7.799 ( -1.248 3.870 2.304) 4.673 7.826 ( 4.506 2.819 -4.418) 6.912 8.009 ( 5.070 2.187 -1.702) 5.778 8.166 ( -1.427 -1.200 1.130) 2.181 8.212 ( 0.205 -7.688 -0.379) 7.700 8.290 ( -1.696 -3.846 -1.266) 4.390 8.481 ( -2.222 5.745 0.974) 6.236 8.621 ( 0.328 0.762 -1.761) 1.946 8.991 ( 0.168 5.652 0.927) 5.730 9.114 ( -1.310 3.967 0.202) 4.182 9.305 ( -0.023 -5.580 3.037) 6.352 9.418 ( 0.256 -6.119 -1.957) 6.430 9.686 ( 0.066 -3.973 0.208) 3.979 9.727 ( 0.190 -4.266 0.267) 4.279 ======================= Grid point 158 (85/91) ======================= q-point: (-0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.960 6.459 -2.921) 7.153 1.843 ( 1.257 2.617 -0.810) 3.014 1.956 ( 0.606 3.039 -1.254) 3.343 2.093 ( -0.557 7.084 -1.563) 7.276 2.097 ( 0.731 4.623 -0.285) 4.689 2.192 ( -0.621 -3.746 -1.530) 4.094 2.255 ( -3.543 6.149 -0.121) 7.098 2.314 ( -1.008 2.147 -3.425) 4.166 2.347 ( 4.035 2.502 2.318) 5.283 2.372 ( 5.495 5.396 -1.919) 7.937 2.527 ( -2.241 0.310 0.587) 2.338 2.770 ( -0.109 0.212 1.418) 1.438 2.892 ( -0.901 -7.857 3.487) 8.643 3.063 ( -2.143 -6.053 2.192) 6.785 3.131 ( -2.336 -8.349 -0.552) 8.687 3.212 ( -1.690 -5.595 -2.585) 6.391 3.404 ( 1.646 5.136 5.976) 8.050 3.468 ( 1.952 3.297 -0.106) 3.833 3.850 ( 1.398 8.246 -2.573) 8.751 3.924 ( -1.526 10.123 -2.441) 10.525 3.937 ( 2.121 10.156 0.395) 10.382 4.103 ( 0.621 2.767 1.964) 3.450 4.462 ( -2.253 13.987 -0.379) 14.173 4.476 ( -0.343 13.629 1.247) 13.690 5.256 ( -0.048 1.526 -0.119) 1.532 5.276 ( 1.844 0.924 0.006) 2.063 5.823 ( -0.773 2.040 0.883) 2.353 5.851 ( 0.327 1.430 -1.106) 1.837 6.146 ( -0.199 5.284 0.662) 5.329 6.340 ( -0.993 1.491 0.419) 1.840 6.378 ( -0.551 2.785 1.007) 3.012 6.451 ( -2.645 -2.327 -0.363) 3.542 6.483 ( -0.041 1.360 -0.335) 1.401 6.535 ( 2.857 -1.788 1.024) 3.523 6.612 ( 0.997 3.406 1.276) 3.772 6.636 ( -0.139 1.756 -1.799) 2.518 6.764 ( 1.498 -2.070 -2.580) 3.631 6.923 ( 1.014 -1.193 -0.101) 1.569 7.010 ( -0.565 -1.992 0.263) 2.088 7.146 ( -0.165 -4.025 2.182) 4.582 7.205 ( -1.782 3.849 1.705) 4.571 7.284 ( 1.825 0.445 -1.364) 2.321 7.311 ( -3.493 3.647 2.234) 5.522 7.365 ( 2.459 3.030 1.139) 4.065 7.471 ( -0.971 -3.815 -0.378) 3.955 7.649 ( -1.566 0.809 -0.739) 1.911 7.755 ( -3.107 0.276 2.132) 3.778 7.890 ( 4.307 4.268 -6.080) 8.586 7.987 ( -6.215 1.451 0.334) 6.391 8.201 ( 3.305 -3.511 -1.132) 4.953 8.219 ( 2.093 -3.972 -1.817) 4.844 8.290 ( 2.237 -4.502 -1.219) 5.173 8.464 ( -0.359 5.871 2.446) 6.371 8.608 ( -0.862 0.882 -0.440) 1.309 9.008 ( 1.244 5.482 -0.726) 5.669 9.110 ( 0.760 3.793 0.653) 3.923 9.294 ( -3.179 -5.455 3.558) 7.247 9.430 ( 2.243 -6.290 -2.531) 7.141 9.683 ( -0.608 -3.737 0.475) 3.816 9.727 ( -0.319 -4.283 0.248) 4.302 ======================= Grid point 159 (86/91) ======================= q-point: (-0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -0.251 6.445 -1.458) 6.612 1.871 ( 1.588 4.483 -1.068) 4.874 1.957 ( 0.430 3.924 -1.674) 4.288 2.039 ( -3.319 6.469 -2.628) 7.732 2.119 ( 1.001 5.101 -0.399) 5.214 2.151 ( 0.566 -0.408 -2.916) 2.998 2.225 ( 1.515 3.733 -2.020) 4.506 2.304 ( -0.076 2.646 -1.094) 2.864 2.438 ( 3.690 1.173 3.689) 5.348 2.480 ( -2.446 3.013 1.893) 4.318 2.503 ( 6.594 0.171 0.585) 6.623 2.748 ( -1.965 1.648 -2.166) 3.357 2.923 ( 0.248 -8.744 6.418) 10.849 2.980 ( -5.322 -5.064 -0.622) 7.373 3.088 ( -4.507 -2.303 1.941) 5.420 3.129 ( -1.274 -8.975 -5.061) 10.382 3.498 ( 3.070 4.692 3.829) 6.789 3.546 ( 4.327 2.929 3.294) 6.177 3.802 ( -2.180 7.476 -5.590) 9.586 3.887 ( -1.390 3.896 -0.956) 4.245 4.021 ( 5.391 13.385 1.750) 14.536 4.160 ( 3.041 5.608 1.707) 6.604 4.394 ( -4.258 13.784 -0.487) 14.435 4.451 ( -2.694 12.722 0.509) 13.014 5.261 ( 0.585 1.459 -0.413) 1.625 5.316 ( 2.112 0.342 -0.178) 2.147 5.815 ( -0.687 2.045 0.967) 2.363 5.846 ( -0.067 0.660 -0.662) 0.937 6.150 ( -0.131 5.546 1.232) 5.683 6.328 ( -0.530 0.081 0.476) 0.717 6.382 ( 0.179 3.529 1.199) 3.731 6.395 ( -2.376 -0.970 0.027) 2.566 6.484 ( 0.303 2.467 -0.153) 2.490 6.613 ( 2.337 -1.706 1.504) 3.261 6.627 ( 1.038 4.222 -0.974) 4.455 6.639 ( 1.275 -0.569 1.399) 1.976 6.767 ( 0.964 -2.049 -3.446) 4.123 6.919 ( -0.842 -0.679 -1.822) 2.119 7.009 ( -0.329 -0.883 0.415) 1.030 7.133 ( -1.984 -3.969 0.169) 4.441 7.202 ( 0.505 1.604 2.507) 3.018 7.256 ( -3.458 5.691 3.937) 7.736 7.308 ( 1.585 -1.040 -3.663) 4.125 7.421 ( 2.528 0.907 0.256) 2.698 7.461 ( -0.591 -1.098 2.391) 2.697 7.612 ( -1.538 4.734 -0.294) 4.986 7.733 ( -0.061 -3.881 0.421) 3.904 7.842 ( -6.431 -1.547 -0.826) 6.666 7.919 ( 0.864 4.511 -3.758) 5.935 8.207 ( -0.143 -5.105 -1.049) 5.213 8.273 ( 1.855 -0.977 -0.538) 2.165 8.324 ( 2.504 -3.068 -2.114) 4.489 8.493 ( 1.185 4.731 1.979) 5.263 8.595 ( 0.313 2.344 -0.819) 2.503 9.026 ( 1.322 3.761 -1.201) 4.164 9.138 ( 1.180 4.344 0.501) 4.529 9.254 ( -3.058 -4.929 4.090) 7.097 9.450 ( 1.516 -5.703 -2.705) 6.491 9.674 ( -0.547 -4.238 0.856) 4.358 9.719 ( -0.636 -4.850 0.145) 4.894 ======================= Grid point 160 (87/91) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -0.206 2.259 -0.799) 2.404 1.912 ( 0.169 -0.475 -1.645) 1.721 2.028 ( 0.171 3.042 -0.514) 3.089 2.069 ( 0.184 -0.668 -0.995) 1.212 2.183 ( 0.090 5.866 -0.783) 5.919 2.233 ( 0.818 4.022 -1.307) 4.308 2.271 ( -1.210 -1.499 -0.411) 1.970 2.292 ( 2.326 -1.949 -1.956) 3.610 2.517 ( 0.478 1.687 1.912) 2.594 2.549 ( 1.255 0.211 -1.155) 1.718 2.618 ( 2.457 3.768 3.123) 5.476 2.691 ( -3.327 2.372 -3.074) 5.114 2.778 ( 0.073 -7.863 2.964) 8.403 2.821 ( -1.600 -6.868 -0.644) 7.081 2.971 ( -0.906 0.647 0.808) 1.375 3.011 ( -0.349 -3.426 1.505) 3.758 3.626 ( 0.834 2.180 0.809) 2.471 3.644 ( 0.981 0.511 1.072) 1.540 3.870 ( -1.200 3.722 0.114) 3.912 3.897 ( -1.384 0.836 0.741) 1.779 4.275 ( 1.623 4.658 -2.391) 5.481 4.298 ( 1.406 2.101 -2.419) 3.499 4.552 ( -1.148 6.754 2.079) 7.159 4.579 ( -1.096 4.006 1.572) 4.441 5.297 ( -0.116 1.772 -0.060) 1.777 5.327 ( -0.057 -1.077 -0.035) 1.079 5.837 ( -0.110 0.880 0.540) 1.039 5.848 ( 0.281 -0.129 -0.545) 0.627 6.264 ( -0.001 4.036 1.331) 4.250 6.308 ( 0.212 -1.053 -1.090) 1.530 6.387 ( 0.063 2.704 0.493) 2.749 6.450 ( 0.159 -0.563 0.786) 0.980 6.540 ( 0.171 1.560 0.312) 1.600 6.583 ( -0.480 -2.160 -0.290) 2.232 6.651 ( 0.862 0.921 0.053) 1.262 6.699 ( -0.583 -2.675 -1.286) 3.025 6.771 ( 0.950 7.265 0.500) 7.344 6.889 ( -0.956 -1.385 -0.102) 1.686 6.982 ( -0.235 -1.512 0.264) 1.553 7.003 ( -0.102 -5.660 0.136) 5.662 7.224 ( -1.262 1.100 2.317) 2.859 7.247 ( -1.494 -0.933 0.582) 1.855 7.365 ( 0.043 4.588 0.201) 4.592 7.439 ( 0.467 -2.487 0.511) 2.581 7.501 ( 0.988 3.441 0.021) 3.580 7.606 ( 0.328 -6.737 0.511) 6.765 7.713 ( 1.444 3.486 -0.882) 3.875 7.754 ( 0.275 -0.380 -0.961) 1.070 7.989 ( -0.090 4.092 -2.511) 4.802 8.081 ( -0.192 -5.404 -1.888) 5.728 8.268 ( -1.057 0.811 0.253) 1.356 8.298 ( 0.699 -2.170 -1.808) 2.910 8.603 ( 0.237 3.470 0.905) 3.594 8.640 ( 1.002 -0.211 -0.612) 1.193 9.084 ( -0.700 2.828 0.913) 3.053 9.145 ( -0.419 -3.154 1.617) 3.569 9.261 ( 0.028 4.303 0.149) 4.305 9.353 ( 0.063 -4.723 -1.062) 4.842 9.619 ( -0.032 -0.944 0.333) 1.001 9.635 ( -0.139 -2.389 0.181) 2.400 ======================= Grid point 161 (88/91) ======================= q-point: ( 0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -0.403 2.040 -0.865) 2.252 1.897 ( -0.656 -0.540 -1.261) 1.521 2.029 ( 0.218 3.387 -0.451) 3.424 2.078 ( 1.209 -1.003 -0.447) 1.633 2.185 ( 0.287 4.992 -0.369) 5.014 2.230 ( -0.316 3.310 -2.265) 4.023 2.244 ( -0.553 0.834 0.426) 1.088 2.319 ( 1.981 -3.252 -2.611) 4.617 2.502 ( -2.396 2.085 0.497) 3.215 2.530 ( -1.724 -0.483 -3.232) 3.695 2.622 ( -1.772 4.981 -2.282) 5.758 2.706 ( 2.568 1.344 3.873) 4.838 2.777 ( -1.164 -6.712 0.985) 6.883 2.834 ( 2.679 -6.565 2.966) 7.686 2.993 ( 1.462 -0.562 1.754) 2.352 3.024 ( 0.991 -3.351 1.674) 3.875 3.596 ( -3.382 2.572 -1.299) 4.443 3.619 ( -3.162 0.249 -2.053) 3.779 3.874 ( 0.950 4.506 2.954) 5.471 3.914 ( 1.560 0.397 2.743) 3.181 4.238 ( -2.770 4.689 -3.484) 6.465 4.262 ( -2.763 1.873 -2.780) 4.344 4.592 ( 2.990 6.431 2.045) 7.381 4.612 ( 2.629 4.329 1.942) 5.424 5.287 ( -0.830 1.627 0.184) 1.835 5.312 ( -1.395 -0.713 0.101) 1.570 5.845 ( 0.543 0.910 0.355) 1.118 5.856 ( 0.883 -0.040 -0.734) 1.149 6.267 ( -0.383 4.390 0.492) 4.434 6.314 ( 1.125 -1.275 -0.773) 1.868 6.402 ( 1.158 1.872 0.038) 2.201 6.449 ( -0.578 -0.320 0.070) 0.665 6.533 ( -1.026 1.149 -0.166) 1.549 6.559 ( -1.711 -2.010 0.502) 2.687 6.656 ( -2.781 1.461 0.124) 3.144 6.674 ( 1.352 -0.888 -0.679) 1.754 6.790 ( 0.679 5.128 -1.674) 5.437 6.869 ( -1.303 -1.040 1.484) 2.232 6.980 ( -0.108 -1.504 0.804) 1.709 7.010 ( 0.656 -5.646 0.367) 5.696 7.230 ( 0.043 0.872 2.657) 2.797 7.242 ( 0.416 0.023 1.087) 1.164 7.359 ( -0.933 3.422 0.808) 3.638 7.432 ( -1.382 -3.331 0.163) 3.610 7.508 ( -0.233 3.936 -0.745) 4.013 7.604 ( -0.257 -4.959 -0.034) 4.966 7.778 ( 6.644 3.059 -3.386) 8.061 7.816 ( 6.272 -0.335 -1.330) 6.420 7.978 ( 0.190 3.636 -0.911) 3.753 8.073 ( 0.030 -5.866 -0.514) 5.889 8.234 ( -2.768 1.797 0.504) 3.339 8.279 ( -1.885 -2.636 -0.886) 3.360 8.598 ( -1.066 3.332 0.310) 3.512 8.637 ( -0.489 -0.583 -1.259) 1.471 9.082 ( -0.082 4.141 1.197) 4.311 9.165 ( 1.320 -3.931 1.314) 4.350 9.241 ( -2.048 4.042 0.086) 4.532 9.333 ( -1.449 -4.888 -0.587) 5.132 9.629 ( 0.755 -0.748 0.226) 1.087 9.646 ( 0.938 -2.323 0.302) 2.523 ======================= Grid point 162 (89/91) ======================= q-point: ( 0.40 0.46 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.482 1.292 -1.636) 2.140 1.881 ( 0.250 0.058 -1.821) 1.839 2.030 ( 0.212 4.083 -0.358) 4.104 2.102 ( 1.244 -2.914 0.077) 3.170 2.181 ( -0.223 3.834 -0.406) 3.862 2.207 ( -0.222 2.112 -1.804) 2.787 2.271 ( 2.581 2.034 0.798) 3.382 2.335 ( 1.417 -3.312 -2.656) 4.476 2.441 ( -3.797 3.131 -0.753) 4.979 2.466 ( -2.344 1.134 -2.697) 3.749 2.586 ( -1.131 4.280 -0.238) 4.434 2.702 ( -2.386 -6.577 1.407) 7.137 2.820 ( 2.311 2.494 2.489) 4.213 2.920 ( 3.494 -6.537 2.811) 7.928 3.012 ( -0.160 -0.574 1.258) 1.392 3.073 ( 1.963 -5.515 2.324) 6.299 3.512 ( -4.169 2.511 -0.351) 4.879 3.531 ( -3.495 0.498 -2.355) 4.244 3.938 ( 3.208 4.828 3.021) 6.537 3.979 ( 3.471 0.916 2.202) 4.211 4.157 ( -3.076 4.974 -3.611) 6.873 4.184 ( -3.272 1.702 -2.261) 4.326 4.653 ( 1.799 5.847 1.481) 6.295 4.664 ( 1.210 4.764 1.201) 5.060 5.278 ( -0.150 1.062 0.271) 1.106 5.288 ( -0.995 0.084 0.125) 1.006 5.855 ( 0.210 1.024 0.195) 1.063 5.866 ( 0.593 0.067 -0.791) 0.991 6.259 ( -0.583 4.982 0.053) 5.016 6.335 ( 1.199 -2.633 -0.378) 2.918 6.419 ( 0.326 0.997 0.078) 1.052 6.433 ( -0.895 0.385 -0.090) 0.978 6.513 ( -0.610 0.785 0.061) 0.996 6.527 ( -1.605 -0.899 -0.128) 1.844 6.629 ( -0.492 2.562 1.222) 2.880 6.686 ( 0.590 -2.523 -0.876) 2.735 6.774 ( -0.789 5.562 -1.337) 5.775 6.864 ( -0.101 -2.750 0.875) 2.887 6.986 ( 0.169 -0.590 0.207) 0.647 7.031 ( 0.750 -5.089 1.124) 5.266 7.254 ( 1.067 1.316 1.614) 2.340 7.266 ( 1.141 0.384 0.977) 1.550 7.344 ( -1.091 1.614 0.905) 2.148 7.399 ( -1.854 -3.606 -0.147) 4.057 7.493 ( -0.857 5.420 0.054) 5.487 7.599 ( -0.607 -4.837 0.530) 4.904 7.879 ( 2.731 3.930 -1.426) 4.994 7.907 ( 5.058 3.386 -4.117) 7.349 8.004 ( 3.490 -1.092 -1.277) 3.873 8.067 ( 0.153 -5.832 -0.535) 5.858 8.186 ( -1.953 1.810 0.166) 2.668 8.229 ( -2.239 -2.445 -0.349) 3.333 8.573 ( -1.641 3.450 0.727) 3.889 8.618 ( -0.822 -1.129 -0.237) 1.417 9.097 ( 0.856 5.140 0.663) 5.252 9.198 ( 0.799 -2.866 0.918) 3.113 9.202 ( -1.691 2.474 0.404) 3.024 9.303 ( -0.892 -5.475 -0.564) 5.576 9.643 ( 0.425 -0.407 0.285) 0.654 9.663 ( 0.455 -2.200 0.291) 2.265 ======================= Grid point 163 (90/91) ======================= q-point: (-0.40 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 1.372 1.296 -2.078) 2.807 1.888 ( 1.881 0.135 -2.491) 3.124 2.031 ( 0.098 4.172 -0.402) 4.193 2.110 ( -0.535 -3.894 -0.549) 3.969 2.183 ( 0.913 3.731 -0.700) 3.904 2.202 ( 0.705 2.769 -1.330) 3.151 2.309 ( -2.117 -0.175 -3.236) 3.871 2.310 ( -0.051 -1.116 -0.115) 1.123 2.409 ( 1.386 3.530 1.732) 4.169 2.445 ( 1.477 0.730 0.254) 1.667 2.573 ( -0.604 4.495 1.139) 4.676 2.694 ( 0.469 -7.153 2.179) 7.493 2.846 ( -0.439 3.341 -0.212) 3.376 2.949 ( -1.952 -6.155 -0.167) 6.459 3.012 ( -0.634 -0.620 1.256) 1.537 3.087 ( -1.989 -6.372 0.493) 6.693 3.482 ( 0.881 2.549 3.055) 4.075 3.503 ( 1.362 0.387 1.277) 1.907 3.980 ( -0.577 4.484 -1.823) 4.875 4.016 ( -1.580 1.069 -2.702) 3.308 4.123 ( 2.746 5.806 0.331) 6.432 4.160 ( 2.474 1.623 0.696) 3.040 4.661 ( -2.032 5.521 0.681) 5.923 4.667 ( -1.288 4.953 0.810) 5.182 5.281 ( 0.248 0.904 -0.024) 0.938 5.289 ( 1.110 0.178 0.061) 1.126 5.853 ( -0.538 1.089 0.301) 1.252 5.865 ( -0.222 -0.006 -0.644) 0.682 6.252 ( -0.301 5.104 0.607) 5.149 6.339 ( -0.512 -3.060 -0.672) 3.175 6.413 ( -1.174 0.737 0.613) 1.516 6.424 ( -0.061 0.996 0.815) 1.288 6.514 ( 0.228 0.630 -0.015) 0.670 6.520 ( 1.394 -0.008 0.413) 1.454 6.640 ( 0.638 1.618 0.593) 1.838 6.690 ( 0.860 -2.408 -1.768) 3.108 6.759 ( -0.386 5.982 0.231) 5.999 6.876 ( 1.023 -4.162 0.081) 4.286 6.984 ( -0.354 0.191 -0.032) 0.403 7.037 ( -0.776 -5.227 0.594) 5.318 7.269 ( -0.832 2.318 0.432) 2.501 7.291 ( 1.509 0.123 -1.332) 2.017 7.343 ( -0.094 0.774 1.348) 1.557 7.379 ( 0.011 -2.867 1.463) 3.219 7.481 ( -0.652 5.428 0.876) 5.536 7.589 ( -0.987 -5.030 1.363) 5.304 7.828 ( -5.374 5.225 0.974) 7.558 7.924 ( -4.117 -3.398 -2.084) 5.731 8.009 ( 1.665 4.018 -3.258) 5.434 8.108 ( 2.382 -5.146 -3.851) 6.854 8.198 ( 3.934 0.977 -1.192) 4.225 8.230 ( 2.620 -2.040 -0.388) 3.343 8.560 ( -0.487 3.621 2.004) 4.167 8.607 ( -0.516 -1.158 0.919) 1.566 9.104 ( -0.491 4.460 -0.034) 4.487 9.193 ( -1.554 -3.638 1.756) 4.328 9.201 ( 0.967 4.127 0.075) 4.239 9.310 ( 1.954 -5.839 -1.045) 6.245 9.643 ( -0.641 -0.340 0.288) 0.781 9.663 ( -0.592 -2.187 0.253) 2.279 ======================= Grid point 164 (91/91) ======================= q-point: (-0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.35e-04 3.35e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 1.207 1.893 -1.781) 2.866 1.908 ( 1.621 -0.213 -2.344) 2.858 2.029 ( 0.056 3.416 -0.482) 3.451 2.085 ( -1.078 -2.084 -1.111) 2.596 2.190 ( 0.060 5.393 -0.990) 5.484 2.218 ( 1.527 3.568 -0.927) 3.990 2.269 ( 0.541 0.092 -2.269) 2.334 2.293 ( -0.926 -3.046 -0.135) 3.187 2.467 ( 2.375 2.125 2.977) 4.361 2.504 ( 3.498 -0.718 0.545) 3.612 2.580 ( 0.198 6.476 2.167) 6.832 2.729 ( 0.998 -7.736 2.139) 8.088 2.802 ( -3.254 1.791 -2.267) 4.351 2.876 ( -3.718 -4.689 -1.465) 6.161 3.006 ( -0.943 -2.481 0.271) 2.668 3.025 ( -3.625 -3.376 0.875) 5.030 3.561 ( 3.679 1.921 4.206) 5.910 3.577 ( 3.937 0.317 3.071) 5.003 3.919 ( -2.743 3.893 -3.384) 5.843 3.946 ( -2.918 1.204 -2.209) 3.853 4.211 ( 5.077 5.510 0.099) 7.492 4.242 ( 4.651 1.977 -0.010) 5.054 4.603 ( -4.119 6.235 0.682) 7.504 4.624 ( -3.487 4.146 0.733) 5.467 5.291 ( 0.714 1.478 -0.180) 1.651 5.314 ( 1.346 -0.662 -0.078) 1.502 5.843 ( -0.758 0.946 0.521) 1.320 5.854 ( -0.436 -0.094 -0.501) 0.671 6.255 ( -0.023 4.496 1.285) 4.676 6.319 ( -0.717 -1.882 -0.914) 2.211 6.394 ( -1.143 2.285 0.811) 2.681 6.436 ( 0.483 0.275 1.247) 1.365 6.527 ( 0.890 1.443 0.194) 1.707 6.563 ( 2.349 -2.428 0.207) 3.385 6.648 ( -0.177 1.635 0.369) 1.686 6.696 ( 1.301 -2.221 -2.346) 3.483 6.761 ( -0.076 6.664 1.267) 6.784 6.894 ( 0.772 -3.741 -0.673) 3.879 6.980 ( -0.140 -0.902 0.607) 1.096 7.017 ( -1.111 -4.864 -0.419) 5.006 7.245 ( -1.784 2.084 0.764) 2.848 7.281 ( -1.425 -1.475 -1.394) 2.480 7.354 ( 0.574 3.693 1.150) 3.910 7.413 ( 1.422 -2.223 1.872) 3.235 7.484 ( 0.358 4.122 0.917) 4.238 7.589 ( 0.328 -5.767 1.171) 5.894 7.739 ( -3.804 4.334 0.265) 5.773 7.813 ( -5.343 -2.630 -0.628) 5.988 8.008 ( 0.478 4.508 -3.862) 5.956 8.101 ( -0.108 -5.030 -2.886) 5.800 8.261 ( 2.707 0.074 -1.646) 3.169 8.278 ( 2.437 -1.589 -1.374) 3.218 8.580 ( 0.921 3.308 2.016) 3.982 8.616 ( 0.950 -0.337 0.815) 1.297 9.092 ( -0.599 3.252 0.172) 3.311 9.161 ( -2.227 -3.728 1.697) 4.662 9.239 ( 2.055 4.892 0.198) 5.310 9.341 ( 1.848 -5.354 -1.251) 5.801 9.628 ( -1.005 -0.541 0.333) 1.189 9.647 ( -1.079 -2.374 0.180) 2.614 =================== 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 3/19500 10.0 506.551 581.607 725.446 0.000 68.753 0.000 3/19500 20.0 117.212 188.235 155.294 0.000 10.221 0.000 3/19500 30.0 50.672 94.221 69.626 0.000 3.983 0.000 3/19500 40.0 30.187 59.119 42.040 0.000 2.190 0.000 3/19500 50.0 20.775 41.453 29.007 0.000 1.427 0.000 3/19500 60.0 15.448 30.988 21.523 0.000 1.024 0.000 3/19500 70.0 12.092 24.265 16.785 0.000 0.783 0.000 3/19500 80.0 9.836 19.713 13.599 0.000 0.626 0.000 3/19500 90.0 8.243 16.499 11.356 0.000 0.518 0.000 3/19500 100.0 7.075 14.144 9.716 0.000 0.440 0.000 3/19500 110.0 6.189 12.362 8.477 0.000 0.381 0.000 3/19500 120.0 5.497 10.976 7.514 0.000 0.335 0.000 3/19500 130.0 4.945 9.871 6.748 0.000 0.299 0.000 3/19500 140.0 4.495 8.971 6.124 0.000 0.269 0.000 3/19500 150.0 4.121 8.226 5.608 0.000 0.245 0.000 3/19500 160.0 3.806 7.598 5.174 0.000 0.225 0.000 3/19500 170.0 3.537 7.062 4.804 0.000 0.207 0.000 3/19500 180.0 3.305 6.600 4.485 0.000 0.192 0.000 3/19500 190.0 3.102 6.196 4.208 0.000 0.180 0.000 3/19500 200.0 2.923 5.841 3.963 0.000 0.168 0.000 3/19500 210.0 2.765 5.526 3.747 0.000 0.159 0.000 3/19500 220.0 2.623 5.244 3.553 0.000 0.150 0.000 3/19500 230.0 2.496 4.991 3.380 0.000 0.142 0.000 3/19500 240.0 2.381 4.761 3.223 0.000 0.135 0.000 3/19500 250.0 2.276 4.553 3.080 0.000 0.129 0.000 3/19500 260.0 2.180 4.363 2.950 0.000 0.123 0.000 3/19500 270.0 2.093 4.188 2.831 0.000 0.118 0.000 3/19500 280.0 2.012 4.028 2.721 0.000 0.113 0.000 3/19500 290.0 1.937 3.879 2.620 0.000 0.108 0.000 3/19500 300.0 1.868 3.741 2.526 0.000 0.104 0.000 3/19500 310.0 1.804 3.614 2.439 0.000 0.100 0.000 3/19500 320.0 1.744 3.494 2.358 0.000 0.097 0.000 3/19500 330.0 1.689 3.383 2.282 0.000 0.094 0.000 3/19500 340.0 1.636 3.279 2.211 0.000 0.091 0.000 3/19500 350.0 1.587 3.181 2.145 0.000 0.088 0.000 3/19500 360.0 1.541 3.088 2.082 0.000 0.085 0.000 3/19500 370.0 1.498 3.002 2.023 0.000 0.082 0.000 3/19500 380.0 1.456 2.920 1.968 0.000 0.080 0.000 3/19500 390.0 1.418 2.842 1.915 0.000 0.078 0.000 3/19500 400.0 1.381 2.769 1.865 0.000 0.076 0.000 3/19500 410.0 1.346 2.699 1.818 0.000 0.074 0.000 3/19500 420.0 1.313 2.633 1.773 0.000 0.072 0.000 3/19500 430.0 1.281 2.570 1.731 0.000 0.070 0.000 3/19500 440.0 1.251 2.510 1.690 0.000 0.068 0.000 3/19500 450.0 1.223 2.452 1.651 0.000 0.067 0.000 3/19500 460.0 1.195 2.398 1.614 0.000 0.065 0.000 3/19500 470.0 1.169 2.346 1.579 0.000 0.064 0.000 3/19500 480.0 1.144 2.296 1.545 0.000 0.062 0.000 3/19500 490.0 1.120 2.248 1.513 0.000 0.061 0.000 3/19500 500.0 1.097 2.202 1.482 0.000 0.060 0.000 3/19500 510.0 1.075 2.158 1.452 0.000 0.058 0.000 3/19500 520.0 1.054 2.116 1.424 0.000 0.057 0.000 3/19500 530.0 1.034 2.075 1.396 0.000 0.056 0.000 3/19500 540.0 1.014 2.036 1.370 0.000 0.055 0.000 3/19500 550.0 0.996 1.998 1.344 0.000 0.054 0.000 3/19500 560.0 0.978 1.962 1.320 0.000 0.053 0.000 3/19500 570.0 0.960 1.927 1.296 0.000 0.052 0.000 3/19500 580.0 0.943 1.894 1.274 0.000 0.051 0.000 3/19500 590.0 0.927 1.861 1.252 0.000 0.050 0.000 3/19500 600.0 0.911 1.830 1.230 0.000 0.049 0.000 3/19500 610.0 0.896 1.799 1.210 0.000 0.048 0.000 3/19500 620.0 0.882 1.770 1.190 0.000 0.048 0.000 3/19500 630.0 0.867 1.741 1.171 0.000 0.047 0.000 3/19500 640.0 0.854 1.714 1.152 0.000 0.046 0.000 3/19500 650.0 0.840 1.687 1.134 0.000 0.045 0.000 3/19500 660.0 0.827 1.661 1.117 0.000 0.045 0.000 3/19500 670.0 0.815 1.636 1.100 0.000 0.044 0.000 3/19500 680.0 0.803 1.612 1.084 0.000 0.043 0.000 3/19500 690.0 0.791 1.589 1.068 0.000 0.043 0.000 3/19500 700.0 0.780 1.566 1.052 0.000 0.042 0.000 3/19500 710.0 0.769 1.543 1.037 0.000 0.041 0.000 3/19500 720.0 0.758 1.522 1.023 0.000 0.041 0.000 3/19500 730.0 0.747 1.501 1.009 0.000 0.040 0.000 3/19500 740.0 0.737 1.480 0.995 0.000 0.040 0.000 3/19500 750.0 0.727 1.460 0.982 0.000 0.039 0.000 3/19500 760.0 0.717 1.441 0.968 0.000 0.039 0.000 3/19500 770.0 0.708 1.422 0.956 0.000 0.038 0.000 3/19500 780.0 0.699 1.404 0.943 0.000 0.038 0.000 3/19500 790.0 0.690 1.386 0.931 0.000 0.037 0.000 3/19500 800.0 0.681 1.369 0.920 0.000 0.037 0.000 3/19500 810.0 0.673 1.352 0.908 0.000 0.036 0.000 3/19500 820.0 0.665 1.335 0.897 0.000 0.036 0.000 3/19500 830.0 0.657 1.319 0.886 0.000 0.035 0.000 3/19500 840.0 0.649 1.303 0.876 0.000 0.035 0.000 3/19500 850.0 0.641 1.288 0.865 0.000 0.034 0.000 3/19500 860.0 0.633 1.273 0.855 0.000 0.034 0.000 3/19500 870.0 0.626 1.258 0.845 0.000 0.034 0.000 3/19500 880.0 0.619 1.244 0.835 0.000 0.033 0.000 3/19500 890.0 0.612 1.230 0.826 0.000 0.033 0.000 3/19500 900.0 0.605 1.216 0.817 0.000 0.032 0.000 3/19500 910.0 0.598 1.202 0.808 0.000 0.032 0.000 3/19500 920.0 0.592 1.189 0.799 0.000 0.032 0.000 3/19500 930.0 0.586 1.176 0.790 0.000 0.031 0.000 3/19500 940.0 0.579 1.164 0.782 0.000 0.031 0.000 3/19500 950.0 0.573 1.152 0.774 0.000 0.031 0.000 3/19500 960.0 0.567 1.140 0.765 0.000 0.030 0.000 3/19500 970.0 0.561 1.128 0.758 0.000 0.030 0.000 3/19500 980.0 0.556 1.116 0.750 0.000 0.030 0.000 3/19500 990.0 0.550 1.105 0.742 0.000 0.029 0.000 3/19500 1000.0 0.544 1.094 0.735 0.000 0.029 0.000 3/19500 Thermal conductivity related properties were written into "kappa-m5135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:18:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|