----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:00:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.151647640003143 0.000000000000000 0.000000000000000 b 0.000000000000000 7.384146230000002 0.000000000000000 c -0.362656199789512 0.000000000000000 8.193936140559135 Atomic positions (fractional): *1 Lu 0.03252801054574 0.75000000000000 0.43332365509553 174.967 2 Lu 0.96747198945426 0.25000000000000 0.56667634490447 174.967 *3 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 4 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 *5 Ta 0.46974614916071 0.99197368853261 0.69540615393883 180.948 6 Ta 0.46974614916071 0.50802631146739 0.69540615393883 180.948 7 Ta 0.53025385083929 0.00802631146739 0.30459384606117 180.948 8 Ta 0.53025385083929 0.49197368853261 0.30459384606117 180.948 *9 O 0.10846291129587 0.75000000000000 0.97517421633097 15.999 *10 O 0.14026579797765 0.06999124378459 0.78138113396115 15.999 11 O 0.14026579797765 0.43000875621541 0.78138113396115 15.999 *12 O 0.25311664439940 0.04763869123576 0.46683171685573 15.999 13 O 0.25311664439940 0.45236130876424 0.46683171685573 15.999 *14 O 0.32072385976400 0.75000000000000 0.64854364446620 15.999 *15 O 0.33202253474954 0.06039892472376 0.11769356055856 15.999 16 O 0.33202253474954 0.43960107527624 0.11769356055856 15.999 *17 O 0.41338052269689 0.75000000000000 0.31377701769713 15.999 18 O 0.58661947730311 0.25000000000000 0.68622298230287 15.999 19 O 0.66797746525046 0.93960107527624 0.88230643944144 15.999 20 O 0.66797746525046 0.56039892472376 0.88230643944144 15.999 21 O 0.67927614023600 0.25000000000000 0.35145635553380 15.999 22 O 0.74688335560060 0.95236130876424 0.53316828314427 15.999 23 O 0.74688335560060 0.54763869123576 0.53316828314427 15.999 24 O 0.85973420202235 0.93000875621541 0.21861886603885 15.999 25 O 0.85973420202235 0.56999124378459 0.21861886603885 15.999 26 O 0.89153708870413 0.25000000000000 0.02482578366903 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.151647640003143 0.000000000000000 0.000000000000000 b 0.000000000000000 7.384146230000002 0.000000000000000 c -0.362656199789512 0.000000000000000 8.193936140559135 Atomic positions (fractional): *1 Lu 0.03252801054574 0.75000000000000 0.43332365509553 174.967 > 1 2 Lu 0.96747198945426 0.25000000000000 0.56667634490447 174.967 > 2 *3 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 3 4 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 4 *5 Ta 0.46974614916071 0.99197368853261 0.69540615393883 180.948 > 5 6 Ta 0.46974614916071 0.50802631146739 0.69540615393883 180.948 > 6 7 Ta 0.53025385083929 0.00802631146739 0.30459384606117 180.948 > 7 8 Ta 0.53025385083929 0.49197368853261 0.30459384606117 180.948 > 8 *9 O 0.10846291129587 0.75000000000000 0.97517421633097 15.999 > 9 *10 O 0.14026579797765 0.06999124378459 0.78138113396115 15.999 > 10 11 O 0.14026579797765 0.43000875621541 0.78138113396115 15.999 > 11 *12 O 0.25311664439940 0.04763869123576 0.46683171685573 15.999 > 12 13 O 0.25311664439940 0.45236130876424 0.46683171685573 15.999 > 13 *14 O 0.32072385976400 0.75000000000000 0.64854364446620 15.999 > 14 *15 O 0.33202253474954 0.06039892472376 0.11769356055856 15.999 > 15 16 O 0.33202253474954 0.43960107527624 0.11769356055856 15.999 > 16 *17 O 0.41338052269689 0.75000000000000 0.31377701769713 15.999 > 17 18 O 0.58661947730311 0.25000000000000 0.68622298230287 15.999 > 18 19 O 0.66797746525046 0.93960107527624 0.88230643944144 15.999 > 19 20 O 0.66797746525046 0.56039892472376 0.88230643944144 15.999 > 20 21 O 0.67927614023600 0.25000000000000 0.35145635553380 15.999 > 21 22 O 0.74688335560060 0.95236130876424 0.53316828314427 15.999 > 22 23 O 0.74688335560060 0.54763869123576 0.53316828314427 15.999 > 23 24 O 0.85973420202235 0.93000875621541 0.21861886603885 15.999 > 24 25 O 0.85973420202235 0.56999124378459 0.21861886603885 15.999 > 25 26 O 0.89153708870413 0.25000000000000 0.02482578366903 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.303295280006285 0.000000000000000 0.000000000000000 b 0.000000000000000 14.768292460000003 0.000000000000000 c -0.362656199789512 0.000000000000000 8.193936140559135 Atomic positions (fractional): *1 Lu 0.01626400527287 0.37500000000000 0.43332365509553 174.967 > 1 2 Lu 0.51626400527287 0.37500000000000 0.43332365509553 174.967 > 1 3 Lu 0.01626400527287 0.87500000000000 0.43332365509553 174.967 > 1 4 Lu 0.51626400527287 0.87500000000000 0.43332365509553 174.967 > 1 5 Lu 0.48373599472713 0.12500000000000 0.56667634490447 174.967 > 2 6 Lu 0.98373599472713 0.12500000000000 0.56667634490447 174.967 > 2 7 Lu 0.48373599472713 0.62500000000000 0.56667634490447 174.967 > 2 8 Lu 0.98373599472713 0.62500000000000 0.56667634490447 174.967 > 2 *9 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 3 10 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 3 11 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 3 12 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 3 13 Ta 0.00000000000000 0.25000000000000 0.00000000000000 180.948 > 4 14 Ta 0.50000000000000 0.25000000000000 0.00000000000000 180.948 > 4 15 Ta 0.00000000000000 0.75000000000000 0.00000000000000 180.948 > 4 16 Ta 0.50000000000000 0.75000000000000 0.00000000000000 180.948 > 4 *17 Ta 0.23487307458035 0.49598684426630 0.69540615393883 180.948 > 5 18 Ta 0.73487307458035 0.49598684426630 0.69540615393883 180.948 > 5 19 Ta 0.23487307458035 0.99598684426630 0.69540615393883 180.948 > 5 20 Ta 0.73487307458035 0.99598684426630 0.69540615393883 180.948 > 5 21 Ta 0.23487307458035 0.25401315573370 0.69540615393883 180.948 > 6 22 Ta 0.73487307458035 0.25401315573370 0.69540615393883 180.948 > 6 23 Ta 0.23487307458035 0.75401315573370 0.69540615393883 180.948 > 6 24 Ta 0.73487307458035 0.75401315573370 0.69540615393883 180.948 > 6 25 Ta 0.26512692541965 0.00401315573370 0.30459384606117 180.948 > 7 26 Ta 0.76512692541965 0.00401315573370 0.30459384606117 180.948 > 7 27 Ta 0.26512692541965 0.50401315573370 0.30459384606117 180.948 > 7 28 Ta 0.76512692541965 0.50401315573370 0.30459384606117 180.948 > 7 29 Ta 0.26512692541965 0.24598684426630 0.30459384606117 180.948 > 8 30 Ta 0.76512692541965 0.24598684426630 0.30459384606117 180.948 > 8 31 Ta 0.26512692541965 0.74598684426630 0.30459384606117 180.948 > 8 32 Ta 0.76512692541965 0.74598684426630 0.30459384606117 180.948 > 8 *33 O 0.05423145564793 0.37500000000000 0.97517421633097 15.999 > 9 34 O 0.55423145564793 0.37500000000000 0.97517421633097 15.999 > 9 35 O 0.05423145564793 0.87500000000000 0.97517421633097 15.999 > 9 36 O 0.55423145564793 0.87500000000000 0.97517421633097 15.999 > 9 *37 O 0.07013289898883 0.03499562189229 0.78138113396115 15.999 > 10 38 O 0.57013289898883 0.03499562189229 0.78138113396115 15.999 > 10 39 O 0.07013289898883 0.53499562189229 0.78138113396115 15.999 > 10 40 O 0.57013289898883 0.53499562189229 0.78138113396115 15.999 > 10 41 O 0.07013289898883 0.21500437810771 0.78138113396115 15.999 > 11 42 O 0.57013289898883 0.21500437810771 0.78138113396115 15.999 > 11 43 O 0.07013289898883 0.71500437810771 0.78138113396115 15.999 > 11 44 O 0.57013289898883 0.71500437810771 0.78138113396115 15.999 > 11 *45 O 0.12655832219970 0.02381934561788 0.46683171685573 15.999 > 12 46 O 0.62655832219970 0.02381934561788 0.46683171685573 15.999 > 12 47 O 0.12655832219970 0.52381934561788 0.46683171685573 15.999 > 12 48 O 0.62655832219970 0.52381934561788 0.46683171685573 15.999 > 12 49 O 0.12655832219970 0.22618065438212 0.46683171685573 15.999 > 13 50 O 0.62655832219970 0.22618065438212 0.46683171685573 15.999 > 13 51 O 0.12655832219970 0.72618065438212 0.46683171685573 15.999 > 13 52 O 0.62655832219970 0.72618065438212 0.46683171685573 15.999 > 13 *53 O 0.16036192988200 0.37500000000000 0.64854364446620 15.999 > 14 54 O 0.66036192988200 0.37500000000000 0.64854364446620 15.999 > 14 55 O 0.16036192988200 0.87500000000000 0.64854364446620 15.999 > 14 56 O 0.66036192988200 0.87500000000000 0.64854364446620 15.999 > 14 *57 O 0.16601126737477 0.03019946236188 0.11769356055856 15.999 > 15 58 O 0.66601126737477 0.03019946236188 0.11769356055856 15.999 > 15 59 O 0.16601126737477 0.53019946236188 0.11769356055856 15.999 > 15 60 O 0.66601126737477 0.53019946236188 0.11769356055856 15.999 > 15 61 O 0.16601126737477 0.21980053763812 0.11769356055856 15.999 > 16 62 O 0.66601126737477 0.21980053763812 0.11769356055856 15.999 > 16 63 O 0.16601126737477 0.71980053763812 0.11769356055856 15.999 > 16 64 O 0.66601126737477 0.71980053763812 0.11769356055856 15.999 > 16 *65 O 0.20669026134844 0.37500000000000 0.31377701769713 15.999 > 17 66 O 0.70669026134844 0.37500000000000 0.31377701769713 15.999 > 17 67 O 0.20669026134844 0.87500000000000 0.31377701769713 15.999 > 17 68 O 0.70669026134844 0.87500000000000 0.31377701769713 15.999 > 17 69 O 0.29330973865156 0.12500000000000 0.68622298230287 15.999 > 18 70 O 0.79330973865156 0.12500000000000 0.68622298230287 15.999 > 18 71 O 0.29330973865156 0.62500000000000 0.68622298230287 15.999 > 18 72 O 0.79330973865156 0.62500000000000 0.68622298230287 15.999 > 18 73 O 0.33398873262523 0.46980053763812 0.88230643944144 15.999 > 19 74 O 0.83398873262523 0.46980053763812 0.88230643944144 15.999 > 19 75 O 0.33398873262523 0.96980053763812 0.88230643944144 15.999 > 19 76 O 0.83398873262523 0.96980053763812 0.88230643944144 15.999 > 19 77 O 0.33398873262523 0.28019946236188 0.88230643944144 15.999 > 20 78 O 0.83398873262523 0.28019946236188 0.88230643944144 15.999 > 20 79 O 0.33398873262523 0.78019946236188 0.88230643944144 15.999 > 20 80 O 0.83398873262523 0.78019946236188 0.88230643944144 15.999 > 20 81 O 0.33963807011800 0.12500000000000 0.35145635553380 15.999 > 21 82 O 0.83963807011800 0.12500000000000 0.35145635553380 15.999 > 21 83 O 0.33963807011800 0.62500000000000 0.35145635553380 15.999 > 21 84 O 0.83963807011800 0.62500000000000 0.35145635553380 15.999 > 21 85 O 0.37344167780030 0.47618065438212 0.53316828314427 15.999 > 22 86 O 0.87344167780030 0.47618065438212 0.53316828314427 15.999 > 22 87 O 0.37344167780030 0.97618065438212 0.53316828314427 15.999 > 22 88 O 0.87344167780030 0.97618065438212 0.53316828314427 15.999 > 22 89 O 0.37344167780030 0.27381934561788 0.53316828314427 15.999 > 23 90 O 0.87344167780030 0.27381934561788 0.53316828314427 15.999 > 23 91 O 0.37344167780030 0.77381934561788 0.53316828314427 15.999 > 23 92 O 0.87344167780030 0.77381934561788 0.53316828314427 15.999 > 23 93 O 0.42986710101117 0.46500437810771 0.21861886603885 15.999 > 24 94 O 0.92986710101117 0.46500437810771 0.21861886603885 15.999 > 24 95 O 0.42986710101117 0.96500437810771 0.21861886603885 15.999 > 24 96 O 0.92986710101117 0.96500437810771 0.21861886603885 15.999 > 24 97 O 0.42986710101117 0.28499562189229 0.21861886603885 15.999 > 25 98 O 0.92986710101117 0.28499562189229 0.21861886603885 15.999 > 25 99 O 0.42986710101117 0.78499562189229 0.21861886603885 15.999 > 25 100 O 0.92986710101117 0.78499562189229 0.21861886603885 15.999 > 25 101 O 0.44576854435207 0.12500000000000 0.02482578366903 15.999 > 26 102 O 0.94576854435207 0.12500000000000 0.02482578366903 15.999 > 26 103 O 0.44576854435207 0.62500000000000 0.02482578366903 15.999 > 26 104 O 0.94576854435207 0.62500000000000 0.02482578366903 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2544340 0.0000000 0.1017077 0.0000000 5.7226819 0.0000000 0.1017016 0.0000000 5.3025777 -------------------------- Born effective charges -------------------------- 1 Lu 4.8519578 0.0000000 0.4975571 0.0000000 3.7788747 0.0000000 0.2360740 0.0000000 3.6121524 2 Lu 4.8519578 0.0000000 0.4975571 0.0000000 3.7788747 0.0000000 0.2360740 0.0000000 3.6121524 3 Ta 7.3632759 1.5844891 -0.9907371 -1.7748928 9.2790645 0.4061070 1.7979989 0.0515723 7.9539195 4 Ta 7.3632759 -1.5844891 -0.9907371 1.7748928 9.2790645 -0.4061070 1.7979989 -0.0515723 7.9539195 5 Ta 6.2036495 -0.3134207 0.4755146 1.1437940 7.0324560 0.4172736 -0.6241459 0.0855153 6.7003135 6 Ta 6.2036495 0.3134207 0.4755146 -1.1437940 7.0324560 -0.4172736 -0.6241459 -0.0855153 6.7003135 7 Ta 6.2036495 -0.3134207 0.4755146 1.1437940 7.0324560 0.4172736 -0.6241459 0.0855153 6.7003135 8 Ta 6.2036495 0.3134207 0.4755146 -1.1437940 7.0324560 -0.4172736 -0.6241459 -0.0855153 6.7003135 9 O -1.4217633 0.0000000 0.2461110 0.0000000 -7.0881665 0.0000000 -0.1318832 0.0000000 -1.3473165 10 O -3.4962042 0.2735651 1.6699423 0.4982796 -1.7234987 0.3509808 1.4600537 0.3642567 -3.3906286 11 O -3.4962042 -0.2735651 1.6699423 -0.4982796 -1.7234987 -0.3509808 1.4600537 -0.3642567 -3.3906286 12 O -2.7632501 0.3004130 0.3594033 0.3209617 -2.0368353 -0.3077070 0.7253137 -0.2346177 -3.2673202 13 O -2.7632501 -0.3004130 0.3594033 -0.3209617 -2.0368353 0.3077070 0.7253137 0.2346177 -3.2673202 14 O -1.8016830 0.0000000 -0.5403601 0.0000000 -4.9749721 0.0000000 -0.5561209 0.0000000 -1.7941073 15 O -3.4329943 -0.1173158 -2.2584044 0.0016470 -1.2340991 0.1178926 -2.4831892 0.0886836 -3.5929678 16 O -3.4329943 0.1173158 -2.2584044 -0.0016470 -1.2340991 -0.1178926 -2.4831892 -0.0886836 -3.5929678 17 O -2.0141892 0.0000000 0.2945178 0.0000000 -5.0708464 0.0000000 0.4978666 0.0000000 -1.3234421 18 O -2.0141892 0.0000000 0.2945178 0.0000000 -5.0708464 0.0000000 0.4978666 0.0000000 -1.3234421 19 O -3.4329943 -0.1173158 -2.2584044 0.0016470 -1.2340991 0.1178926 -2.4831892 0.0886836 -3.5929678 20 O -3.4329943 0.1173158 -2.2584044 -0.0016470 -1.2340991 -0.1178926 -2.4831892 -0.0886836 -3.5929678 21 O -1.8016830 0.0000000 -0.5403601 0.0000000 -4.9749721 0.0000000 -0.5561209 0.0000000 -1.7941073 22 O -2.7632501 0.3004130 0.3594033 0.3209617 -2.0368353 -0.3077070 0.7253137 -0.2346177 -3.2673202 23 O -2.7632501 -0.3004130 0.3594033 -0.3209617 -2.0368353 0.3077070 0.7253137 0.2346177 -3.2673202 24 O -3.4962042 0.2735651 1.6699423 0.4982796 -1.7234987 0.3509808 1.4600537 0.3642567 -3.3906286 25 O -3.4962042 -0.2735651 1.6699423 -0.4982796 -1.7234987 -0.3509808 1.4600537 -0.3642567 -3.3906286 26 O -1.4217633 0.0000000 0.2461110 0.0000000 -7.0881665 0.0000000 -0.1318832 0.0000000 -1.3473165 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3184 Number of blocks in projector: 3184 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: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 139 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 139 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 394 Use standard eigh solver. Tree of FC basis block matrices: - (3184, 3120), data: False |-- (394, 385), data: True |-- (394, 385), data: True |-- (394, 385), data: True |-- (646, 636), data: False |-- (646, 7), data: (646, 17) @ (17, 7) |-- (146, 139), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (646, 636), data: False |-- (646, 7), data: (646, 17) @ (17, 7) |-- (146, 139), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 693), data: False |-- (710, 9), data: (710, 26) @ (26, 9) |-- (210, 201), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.838 Solver_block: 200 / 800 - Time: 0.745 Solver_block: 300 / 800 - Time: 0.741 Solver_block: 400 / 800 - Time: 0.746 Solver_block: 500 / 800 - Time: 0.746 Solver_block: 600 / 800 - Time: 0.753 Solver_block: 700 / 800 - Time: 0.741 Solver_block: 800 / 800 - Time: 0.743 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.182 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3184 Number of blocks in projector: 3184 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: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 139 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 139 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 394 Use standard eigh solver. Tree of FC basis block matrices: - (3184, 3120), data: False |-- (394, 385), data: True |-- (394, 385), data: True |-- (394, 385), data: True |-- (646, 636), data: False |-- (646, 7), data: (646, 17) @ (17, 7) |-- (146, 139), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (646, 636), data: False |-- (646, 7), data: (646, 17) @ (17, 7) |-- (146, 139), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 693), data: False |-- (710, 9), data: (710, 26) @ (26, 9) |-- (210, 201), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:01:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:01:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.151647640003143 0.000000000000000 0.000000000000000 b 0.000000000000000 7.384146230000002 0.000000000000000 c -0.362656199789512 0.000000000000000 8.193936140559135 Atomic positions (fractional): 1 Lu 0.03252801054574 0.75000000000000 0.43332365509553 174.967 2 Lu 0.96747198945426 0.25000000000000 0.56667634490447 174.967 3 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 4 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 5 Ta 0.46974614916071 0.99197368853261 0.69540615393883 180.948 6 Ta 0.46974614916071 0.50802631146739 0.69540615393883 180.948 7 Ta 0.53025385083929 0.00802631146739 0.30459384606117 180.948 8 Ta 0.53025385083929 0.49197368853261 0.30459384606117 180.948 9 O 0.10846291129587 0.75000000000000 0.97517421633097 15.999 10 O 0.14026579797765 0.06999124378459 0.78138113396115 15.999 11 O 0.14026579797765 0.43000875621541 0.78138113396115 15.999 12 O 0.25311664439940 0.04763869123576 0.46683171685573 15.999 13 O 0.25311664439940 0.45236130876424 0.46683171685573 15.999 14 O 0.32072385976400 0.75000000000000 0.64854364446620 15.999 15 O 0.33202253474954 0.06039892472376 0.11769356055856 15.999 16 O 0.33202253474954 0.43960107527624 0.11769356055856 15.999 17 O 0.41338052269689 0.75000000000000 0.31377701769713 15.999 18 O 0.58661947730311 0.25000000000000 0.68622298230287 15.999 19 O 0.66797746525046 0.93960107527624 0.88230643944144 15.999 20 O 0.66797746525046 0.56039892472376 0.88230643944144 15.999 21 O 0.67927614023600 0.25000000000000 0.35145635553380 15.999 22 O 0.74688335560060 0.95236130876424 0.53316828314427 15.999 23 O 0.74688335560060 0.54763869123576 0.53316828314427 15.999 24 O 0.85973420202235 0.93000875621541 0.21861886603885 15.999 25 O 0.85973420202235 0.56999124378459 0.21861886603885 15.999 26 O 0.89153708870413 0.25000000000000 0.02482578366903 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.303295280006285 0.000000000000000 0.000000000000000 b 0.000000000000000 14.768292460000003 0.000000000000000 c -0.362656199789512 0.000000000000000 8.193936140559135 Atomic positions (fractional): 1 Lu 0.01626400527287 0.37500000000000 0.43332365509553 174.967 > 1 2 Lu 0.51626400527287 0.37500000000000 0.43332365509553 174.967 > 1 3 Lu 0.01626400527287 0.87500000000000 0.43332365509553 174.967 > 1 4 Lu 0.51626400527287 0.87500000000000 0.43332365509553 174.967 > 1 5 Lu 0.48373599472713 0.12500000000000 0.56667634490447 174.967 > 5 6 Lu 0.98373599472713 0.12500000000000 0.56667634490447 174.967 > 5 7 Lu 0.48373599472713 0.62500000000000 0.56667634490447 174.967 > 5 8 Lu 0.98373599472713 0.62500000000000 0.56667634490447 174.967 > 5 9 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 9 10 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 9 11 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 9 12 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 9 13 Ta 0.00000000000000 0.25000000000000 0.00000000000000 180.948 > 13 14 Ta 0.50000000000000 0.25000000000000 0.00000000000000 180.948 > 13 15 Ta 0.00000000000000 0.75000000000000 0.00000000000000 180.948 > 13 16 Ta 0.50000000000000 0.75000000000000 0.00000000000000 180.948 > 13 17 Ta 0.23487307458035 0.49598684426630 0.69540615393883 180.948 > 17 18 Ta 0.73487307458035 0.49598684426630 0.69540615393883 180.948 > 17 19 Ta 0.23487307458035 0.99598684426630 0.69540615393883 180.948 > 17 20 Ta 0.73487307458035 0.99598684426630 0.69540615393883 180.948 > 17 21 Ta 0.23487307458035 0.25401315573370 0.69540615393883 180.948 > 21 22 Ta 0.73487307458035 0.25401315573370 0.69540615393883 180.948 > 21 23 Ta 0.23487307458035 0.75401315573370 0.69540615393883 180.948 > 21 24 Ta 0.73487307458035 0.75401315573370 0.69540615393883 180.948 > 21 25 Ta 0.26512692541965 0.00401315573370 0.30459384606117 180.948 > 25 26 Ta 0.76512692541965 0.00401315573370 0.30459384606117 180.948 > 25 27 Ta 0.26512692541965 0.50401315573370 0.30459384606117 180.948 > 25 28 Ta 0.76512692541965 0.50401315573370 0.30459384606117 180.948 > 25 29 Ta 0.26512692541965 0.24598684426630 0.30459384606117 180.948 > 29 30 Ta 0.76512692541965 0.24598684426630 0.30459384606117 180.948 > 29 31 Ta 0.26512692541965 0.74598684426630 0.30459384606117 180.948 > 29 32 Ta 0.76512692541965 0.74598684426630 0.30459384606117 180.948 > 29 33 O 0.05423145564793 0.37500000000000 0.97517421633097 15.999 > 33 34 O 0.55423145564793 0.37500000000000 0.97517421633097 15.999 > 33 35 O 0.05423145564793 0.87500000000000 0.97517421633097 15.999 > 33 36 O 0.55423145564793 0.87500000000000 0.97517421633097 15.999 > 33 37 O 0.07013289898883 0.03499562189229 0.78138113396115 15.999 > 37 38 O 0.57013289898883 0.03499562189229 0.78138113396115 15.999 > 37 39 O 0.07013289898883 0.53499562189229 0.78138113396115 15.999 > 37 40 O 0.57013289898883 0.53499562189229 0.78138113396115 15.999 > 37 41 O 0.07013289898883 0.21500437810771 0.78138113396115 15.999 > 41 42 O 0.57013289898883 0.21500437810771 0.78138113396115 15.999 > 41 43 O 0.07013289898883 0.71500437810771 0.78138113396115 15.999 > 41 44 O 0.57013289898883 0.71500437810771 0.78138113396115 15.999 > 41 45 O 0.12655832219970 0.02381934561788 0.46683171685573 15.999 > 45 46 O 0.62655832219970 0.02381934561788 0.46683171685573 15.999 > 45 47 O 0.12655832219970 0.52381934561788 0.46683171685573 15.999 > 45 48 O 0.62655832219970 0.52381934561788 0.46683171685573 15.999 > 45 49 O 0.12655832219970 0.22618065438212 0.46683171685573 15.999 > 49 50 O 0.62655832219970 0.22618065438212 0.46683171685573 15.999 > 49 51 O 0.12655832219970 0.72618065438212 0.46683171685573 15.999 > 49 52 O 0.62655832219970 0.72618065438212 0.46683171685573 15.999 > 49 53 O 0.16036192988200 0.37500000000000 0.64854364446620 15.999 > 53 54 O 0.66036192988200 0.37500000000000 0.64854364446620 15.999 > 53 55 O 0.16036192988200 0.87500000000000 0.64854364446620 15.999 > 53 56 O 0.66036192988200 0.87500000000000 0.64854364446620 15.999 > 53 57 O 0.16601126737477 0.03019946236188 0.11769356055856 15.999 > 57 58 O 0.66601126737477 0.03019946236188 0.11769356055856 15.999 > 57 59 O 0.16601126737477 0.53019946236188 0.11769356055856 15.999 > 57 60 O 0.66601126737477 0.53019946236188 0.11769356055856 15.999 > 57 61 O 0.16601126737477 0.21980053763812 0.11769356055856 15.999 > 61 62 O 0.66601126737477 0.21980053763812 0.11769356055856 15.999 > 61 63 O 0.16601126737477 0.71980053763812 0.11769356055856 15.999 > 61 64 O 0.66601126737477 0.71980053763812 0.11769356055856 15.999 > 61 65 O 0.20669026134844 0.37500000000000 0.31377701769713 15.999 > 65 66 O 0.70669026134844 0.37500000000000 0.31377701769713 15.999 > 65 67 O 0.20669026134844 0.87500000000000 0.31377701769713 15.999 > 65 68 O 0.70669026134844 0.87500000000000 0.31377701769713 15.999 > 65 69 O 0.29330973865156 0.12500000000000 0.68622298230287 15.999 > 69 70 O 0.79330973865156 0.12500000000000 0.68622298230287 15.999 > 69 71 O 0.29330973865156 0.62500000000000 0.68622298230287 15.999 > 69 72 O 0.79330973865156 0.62500000000000 0.68622298230287 15.999 > 69 73 O 0.33398873262523 0.46980053763812 0.88230643944144 15.999 > 73 74 O 0.83398873262523 0.46980053763812 0.88230643944144 15.999 > 73 75 O 0.33398873262523 0.96980053763812 0.88230643944144 15.999 > 73 76 O 0.83398873262523 0.96980053763812 0.88230643944144 15.999 > 73 77 O 0.33398873262523 0.28019946236188 0.88230643944144 15.999 > 77 78 O 0.83398873262523 0.28019946236188 0.88230643944144 15.999 > 77 79 O 0.33398873262523 0.78019946236188 0.88230643944144 15.999 > 77 80 O 0.83398873262523 0.78019946236188 0.88230643944144 15.999 > 77 81 O 0.33963807011800 0.12500000000000 0.35145635553380 15.999 > 81 82 O 0.83963807011800 0.12500000000000 0.35145635553380 15.999 > 81 83 O 0.33963807011800 0.62500000000000 0.35145635553380 15.999 > 81 84 O 0.83963807011800 0.62500000000000 0.35145635553380 15.999 > 81 85 O 0.37344167780030 0.47618065438212 0.53316828314427 15.999 > 85 86 O 0.87344167780030 0.47618065438212 0.53316828314427 15.999 > 85 87 O 0.37344167780030 0.97618065438212 0.53316828314427 15.999 > 85 88 O 0.87344167780030 0.97618065438212 0.53316828314427 15.999 > 85 89 O 0.37344167780030 0.27381934561788 0.53316828314427 15.999 > 89 90 O 0.87344167780030 0.27381934561788 0.53316828314427 15.999 > 89 91 O 0.37344167780030 0.77381934561788 0.53316828314427 15.999 > 89 92 O 0.87344167780030 0.77381934561788 0.53316828314427 15.999 > 89 93 O 0.42986710101117 0.46500437810771 0.21861886603885 15.999 > 93 94 O 0.92986710101117 0.46500437810771 0.21861886603885 15.999 > 93 95 O 0.42986710101117 0.96500437810771 0.21861886603885 15.999 > 93 96 O 0.92986710101117 0.96500437810771 0.21861886603885 15.999 > 93 97 O 0.42986710101117 0.28499562189229 0.21861886603885 15.999 > 97 98 O 0.92986710101117 0.28499562189229 0.21861886603885 15.999 > 97 99 O 0.42986710101117 0.78499562189229 0.21861886603885 15.999 > 97 100 O 0.92986710101117 0.78499562189229 0.21861886603885 15.999 > 97 101 O 0.44576854435207 0.12500000000000 0.02482578366903 15.999 > 101 102 O 0.94576854435207 0.12500000000000 0.02482578366903 15.999 > 101 103 O 0.44576854435207 0.62500000000000 0.02482578366903 15.999 > 101 104 O 0.94576854435207 0.62500000000000 0.02482578366903 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2544340 0.0000000 0.1017077 0.0000000 5.7226819 0.0000000 0.1017016 0.0000000 5.3025777 -------------------------- Born effective charges -------------------------- 1 Lu 4.8519578 0.0000000 0.4975571 0.0000000 3.7788747 0.0000000 0.2360740 0.0000000 3.6121524 2 Lu 4.8519578 0.0000000 0.4975571 0.0000000 3.7788747 0.0000000 0.2360740 0.0000000 3.6121524 3 Ta 7.3632759 1.5844891 -0.9907371 -1.7748928 9.2790645 0.4061070 1.7979989 0.0515723 7.9539195 4 Ta 7.3632759 -1.5844891 -0.9907371 1.7748928 9.2790645 -0.4061070 1.7979989 -0.0515723 7.9539195 5 Ta 6.2036495 -0.3134207 0.4755146 1.1437940 7.0324560 0.4172736 -0.6241459 0.0855153 6.7003135 6 Ta 6.2036495 0.3134207 0.4755146 -1.1437940 7.0324560 -0.4172736 -0.6241459 -0.0855153 6.7003135 7 Ta 6.2036495 -0.3134207 0.4755146 1.1437940 7.0324560 0.4172736 -0.6241459 0.0855153 6.7003135 8 Ta 6.2036495 0.3134207 0.4755146 -1.1437940 7.0324560 -0.4172736 -0.6241459 -0.0855153 6.7003135 9 O -1.4217633 0.0000000 0.2461110 0.0000000 -7.0881665 0.0000000 -0.1318832 0.0000000 -1.3473165 10 O -3.4962042 0.2735651 1.6699423 0.4982796 -1.7234987 0.3509808 1.4600537 0.3642567 -3.3906286 11 O -3.4962042 -0.2735651 1.6699423 -0.4982796 -1.7234987 -0.3509808 1.4600537 -0.3642567 -3.3906286 12 O -2.7632501 0.3004130 0.3594033 0.3209617 -2.0368353 -0.3077070 0.7253137 -0.2346177 -3.2673202 13 O -2.7632501 -0.3004130 0.3594033 -0.3209617 -2.0368353 0.3077070 0.7253137 0.2346177 -3.2673202 14 O -1.8016830 0.0000000 -0.5403601 0.0000000 -4.9749721 0.0000000 -0.5561209 0.0000000 -1.7941073 15 O -3.4329943 -0.1173158 -2.2584044 0.0016470 -1.2340991 0.1178926 -2.4831892 0.0886836 -3.5929678 16 O -3.4329943 0.1173158 -2.2584044 -0.0016470 -1.2340991 -0.1178926 -2.4831892 -0.0886836 -3.5929678 17 O -2.0141892 0.0000000 0.2945178 0.0000000 -5.0708464 0.0000000 0.4978666 0.0000000 -1.3234421 18 O -2.0141892 0.0000000 0.2945178 0.0000000 -5.0708464 0.0000000 0.4978666 0.0000000 -1.3234421 19 O -3.4329943 -0.1173158 -2.2584044 0.0016470 -1.2340991 0.1178926 -2.4831892 0.0886836 -3.5929678 20 O -3.4329943 0.1173158 -2.2584044 -0.0016470 -1.2340991 -0.1178926 -2.4831892 -0.0886836 -3.5929678 21 O -1.8016830 0.0000000 -0.5403601 0.0000000 -4.9749721 0.0000000 -0.5561209 0.0000000 -1.7941073 22 O -2.7632501 0.3004130 0.3594033 0.3209617 -2.0368353 -0.3077070 0.7253137 -0.2346177 -3.2673202 23 O -2.7632501 -0.3004130 0.3594033 -0.3209617 -2.0368353 0.3077070 0.7253137 0.2346177 -3.2673202 24 O -3.4962042 0.2735651 1.6699423 0.4982796 -1.7234987 0.3509808 1.4600537 0.3642567 -3.3906286 25 O -3.4962042 -0.2735651 1.6699423 -0.4982796 -1.7234987 -0.3509808 1.4600537 -0.3642567 -3.3906286 26 O -1.4217633 0.0000000 0.2461110 0.0000000 -7.0881665 0.0000000 -0.1318832 0.0000000 -1.3473165 ---------------------------------------------------------------------------- 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 9, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 45, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 53, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000140 (xxx) 0.00000140 (xxx) 0.00000140 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (xy) 0.00000004 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:01:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:01:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.151647640003143 0.000000000000000 0.000000000000000 b 0.000000000000000 7.384146230000002 0.000000000000000 c -0.362656199789512 0.000000000000000 8.193936140559135 Atomic positions (fractional): 1 Lu 0.03252801054574 0.75000000000000 0.43332365509553 174.967 2 Lu 0.96747198945426 0.25000000000000 0.56667634490447 174.967 3 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 4 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 5 Ta 0.46974614916071 0.99197368853261 0.69540615393883 180.948 6 Ta 0.46974614916071 0.50802631146739 0.69540615393883 180.948 7 Ta 0.53025385083929 0.00802631146739 0.30459384606117 180.948 8 Ta 0.53025385083929 0.49197368853261 0.30459384606117 180.948 9 O 0.10846291129587 0.75000000000000 0.97517421633097 15.999 10 O 0.14026579797765 0.06999124378459 0.78138113396115 15.999 11 O 0.14026579797765 0.43000875621541 0.78138113396115 15.999 12 O 0.25311664439940 0.04763869123576 0.46683171685573 15.999 13 O 0.25311664439940 0.45236130876424 0.46683171685573 15.999 14 O 0.32072385976400 0.75000000000000 0.64854364446620 15.999 15 O 0.33202253474954 0.06039892472376 0.11769356055856 15.999 16 O 0.33202253474954 0.43960107527624 0.11769356055856 15.999 17 O 0.41338052269689 0.75000000000000 0.31377701769713 15.999 18 O 0.58661947730311 0.25000000000000 0.68622298230287 15.999 19 O 0.66797746525046 0.93960107527624 0.88230643944144 15.999 20 O 0.66797746525046 0.56039892472376 0.88230643944144 15.999 21 O 0.67927614023600 0.25000000000000 0.35145635553380 15.999 22 O 0.74688335560060 0.95236130876424 0.53316828314427 15.999 23 O 0.74688335560060 0.54763869123576 0.53316828314427 15.999 24 O 0.85973420202235 0.93000875621541 0.21861886603885 15.999 25 O 0.85973420202235 0.56999124378459 0.21861886603885 15.999 26 O 0.89153708870413 0.25000000000000 0.02482578366903 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.303295280006285 0.000000000000000 0.000000000000000 b 0.000000000000000 14.768292460000003 0.000000000000000 c -0.362656199789512 0.000000000000000 8.193936140559135 Atomic positions (fractional): 1 Lu 0.01626400527287 0.37500000000000 0.43332365509553 174.967 > 1 2 Lu 0.51626400527287 0.37500000000000 0.43332365509553 174.967 > 1 3 Lu 0.01626400527287 0.87500000000000 0.43332365509553 174.967 > 1 4 Lu 0.51626400527287 0.87500000000000 0.43332365509553 174.967 > 1 5 Lu 0.48373599472713 0.12500000000000 0.56667634490447 174.967 > 5 6 Lu 0.98373599472713 0.12500000000000 0.56667634490447 174.967 > 5 7 Lu 0.48373599472713 0.62500000000000 0.56667634490447 174.967 > 5 8 Lu 0.98373599472713 0.62500000000000 0.56667634490447 174.967 > 5 9 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 9 10 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 9 11 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 9 12 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 9 13 Ta 0.00000000000000 0.25000000000000 0.00000000000000 180.948 > 13 14 Ta 0.50000000000000 0.25000000000000 0.00000000000000 180.948 > 13 15 Ta 0.00000000000000 0.75000000000000 0.00000000000000 180.948 > 13 16 Ta 0.50000000000000 0.75000000000000 0.00000000000000 180.948 > 13 17 Ta 0.23487307458035 0.49598684426630 0.69540615393883 180.948 > 17 18 Ta 0.73487307458035 0.49598684426630 0.69540615393883 180.948 > 17 19 Ta 0.23487307458035 0.99598684426630 0.69540615393883 180.948 > 17 20 Ta 0.73487307458035 0.99598684426630 0.69540615393883 180.948 > 17 21 Ta 0.23487307458035 0.25401315573370 0.69540615393883 180.948 > 21 22 Ta 0.73487307458035 0.25401315573370 0.69540615393883 180.948 > 21 23 Ta 0.23487307458035 0.75401315573370 0.69540615393883 180.948 > 21 24 Ta 0.73487307458035 0.75401315573370 0.69540615393883 180.948 > 21 25 Ta 0.26512692541965 0.00401315573370 0.30459384606117 180.948 > 25 26 Ta 0.76512692541965 0.00401315573370 0.30459384606117 180.948 > 25 27 Ta 0.26512692541965 0.50401315573370 0.30459384606117 180.948 > 25 28 Ta 0.76512692541965 0.50401315573370 0.30459384606117 180.948 > 25 29 Ta 0.26512692541965 0.24598684426630 0.30459384606117 180.948 > 29 30 Ta 0.76512692541965 0.24598684426630 0.30459384606117 180.948 > 29 31 Ta 0.26512692541965 0.74598684426630 0.30459384606117 180.948 > 29 32 Ta 0.76512692541965 0.74598684426630 0.30459384606117 180.948 > 29 33 O 0.05423145564793 0.37500000000000 0.97517421633097 15.999 > 33 34 O 0.55423145564793 0.37500000000000 0.97517421633097 15.999 > 33 35 O 0.05423145564793 0.87500000000000 0.97517421633097 15.999 > 33 36 O 0.55423145564793 0.87500000000000 0.97517421633097 15.999 > 33 37 O 0.07013289898883 0.03499562189229 0.78138113396115 15.999 > 37 38 O 0.57013289898883 0.03499562189229 0.78138113396115 15.999 > 37 39 O 0.07013289898883 0.53499562189229 0.78138113396115 15.999 > 37 40 O 0.57013289898883 0.53499562189229 0.78138113396115 15.999 > 37 41 O 0.07013289898883 0.21500437810771 0.78138113396115 15.999 > 41 42 O 0.57013289898883 0.21500437810771 0.78138113396115 15.999 > 41 43 O 0.07013289898883 0.71500437810771 0.78138113396115 15.999 > 41 44 O 0.57013289898883 0.71500437810771 0.78138113396115 15.999 > 41 45 O 0.12655832219970 0.02381934561788 0.46683171685573 15.999 > 45 46 O 0.62655832219970 0.02381934561788 0.46683171685573 15.999 > 45 47 O 0.12655832219970 0.52381934561788 0.46683171685573 15.999 > 45 48 O 0.62655832219970 0.52381934561788 0.46683171685573 15.999 > 45 49 O 0.12655832219970 0.22618065438212 0.46683171685573 15.999 > 49 50 O 0.62655832219970 0.22618065438212 0.46683171685573 15.999 > 49 51 O 0.12655832219970 0.72618065438212 0.46683171685573 15.999 > 49 52 O 0.62655832219970 0.72618065438212 0.46683171685573 15.999 > 49 53 O 0.16036192988200 0.37500000000000 0.64854364446620 15.999 > 53 54 O 0.66036192988200 0.37500000000000 0.64854364446620 15.999 > 53 55 O 0.16036192988200 0.87500000000000 0.64854364446620 15.999 > 53 56 O 0.66036192988200 0.87500000000000 0.64854364446620 15.999 > 53 57 O 0.16601126737477 0.03019946236188 0.11769356055856 15.999 > 57 58 O 0.66601126737477 0.03019946236188 0.11769356055856 15.999 > 57 59 O 0.16601126737477 0.53019946236188 0.11769356055856 15.999 > 57 60 O 0.66601126737477 0.53019946236188 0.11769356055856 15.999 > 57 61 O 0.16601126737477 0.21980053763812 0.11769356055856 15.999 > 61 62 O 0.66601126737477 0.21980053763812 0.11769356055856 15.999 > 61 63 O 0.16601126737477 0.71980053763812 0.11769356055856 15.999 > 61 64 O 0.66601126737477 0.71980053763812 0.11769356055856 15.999 > 61 65 O 0.20669026134844 0.37500000000000 0.31377701769713 15.999 > 65 66 O 0.70669026134844 0.37500000000000 0.31377701769713 15.999 > 65 67 O 0.20669026134844 0.87500000000000 0.31377701769713 15.999 > 65 68 O 0.70669026134844 0.87500000000000 0.31377701769713 15.999 > 65 69 O 0.29330973865156 0.12500000000000 0.68622298230287 15.999 > 69 70 O 0.79330973865156 0.12500000000000 0.68622298230287 15.999 > 69 71 O 0.29330973865156 0.62500000000000 0.68622298230287 15.999 > 69 72 O 0.79330973865156 0.62500000000000 0.68622298230287 15.999 > 69 73 O 0.33398873262523 0.46980053763812 0.88230643944144 15.999 > 73 74 O 0.83398873262523 0.46980053763812 0.88230643944144 15.999 > 73 75 O 0.33398873262523 0.96980053763812 0.88230643944144 15.999 > 73 76 O 0.83398873262523 0.96980053763812 0.88230643944144 15.999 > 73 77 O 0.33398873262523 0.28019946236188 0.88230643944144 15.999 > 77 78 O 0.83398873262523 0.28019946236188 0.88230643944144 15.999 > 77 79 O 0.33398873262523 0.78019946236188 0.88230643944144 15.999 > 77 80 O 0.83398873262523 0.78019946236188 0.88230643944144 15.999 > 77 81 O 0.33963807011800 0.12500000000000 0.35145635553380 15.999 > 81 82 O 0.83963807011800 0.12500000000000 0.35145635553380 15.999 > 81 83 O 0.33963807011800 0.62500000000000 0.35145635553380 15.999 > 81 84 O 0.83963807011800 0.62500000000000 0.35145635553380 15.999 > 81 85 O 0.37344167780030 0.47618065438212 0.53316828314427 15.999 > 85 86 O 0.87344167780030 0.47618065438212 0.53316828314427 15.999 > 85 87 O 0.37344167780030 0.97618065438212 0.53316828314427 15.999 > 85 88 O 0.87344167780030 0.97618065438212 0.53316828314427 15.999 > 85 89 O 0.37344167780030 0.27381934561788 0.53316828314427 15.999 > 89 90 O 0.87344167780030 0.27381934561788 0.53316828314427 15.999 > 89 91 O 0.37344167780030 0.77381934561788 0.53316828314427 15.999 > 89 92 O 0.87344167780030 0.77381934561788 0.53316828314427 15.999 > 89 93 O 0.42986710101117 0.46500437810771 0.21861886603885 15.999 > 93 94 O 0.92986710101117 0.46500437810771 0.21861886603885 15.999 > 93 95 O 0.42986710101117 0.96500437810771 0.21861886603885 15.999 > 93 96 O 0.92986710101117 0.96500437810771 0.21861886603885 15.999 > 93 97 O 0.42986710101117 0.28499562189229 0.21861886603885 15.999 > 97 98 O 0.92986710101117 0.28499562189229 0.21861886603885 15.999 > 97 99 O 0.42986710101117 0.78499562189229 0.21861886603885 15.999 > 97 100 O 0.92986710101117 0.78499562189229 0.21861886603885 15.999 > 97 101 O 0.44576854435207 0.12500000000000 0.02482578366903 15.999 > 101 102 O 0.94576854435207 0.12500000000000 0.02482578366903 15.999 > 101 103 O 0.44576854435207 0.62500000000000 0.02482578366903 15.999 > 101 104 O 0.94576854435207 0.62500000000000 0.02482578366903 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2544340 0.0000000 0.1017077 0.0000000 5.7226819 0.0000000 0.1017016 0.0000000 5.3025777 -------------------------- Born effective charges -------------------------- 1 Lu 4.8519578 0.0000000 0.4975571 0.0000000 3.7788747 0.0000000 0.2360740 0.0000000 3.6121524 2 Lu 4.8519578 0.0000000 0.4975571 0.0000000 3.7788747 0.0000000 0.2360740 0.0000000 3.6121524 3 Ta 7.3632759 1.5844891 -0.9907371 -1.7748928 9.2790645 0.4061070 1.7979989 0.0515723 7.9539195 4 Ta 7.3632759 -1.5844891 -0.9907371 1.7748928 9.2790645 -0.4061070 1.7979989 -0.0515723 7.9539195 5 Ta 6.2036495 -0.3134207 0.4755146 1.1437940 7.0324560 0.4172736 -0.6241459 0.0855153 6.7003135 6 Ta 6.2036495 0.3134207 0.4755146 -1.1437940 7.0324560 -0.4172736 -0.6241459 -0.0855153 6.7003135 7 Ta 6.2036495 -0.3134207 0.4755146 1.1437940 7.0324560 0.4172736 -0.6241459 0.0855153 6.7003135 8 Ta 6.2036495 0.3134207 0.4755146 -1.1437940 7.0324560 -0.4172736 -0.6241459 -0.0855153 6.7003135 9 O -1.4217633 0.0000000 0.2461110 0.0000000 -7.0881665 0.0000000 -0.1318832 0.0000000 -1.3473165 10 O -3.4962042 0.2735651 1.6699423 0.4982796 -1.7234987 0.3509808 1.4600537 0.3642567 -3.3906286 11 O -3.4962042 -0.2735651 1.6699423 -0.4982796 -1.7234987 -0.3509808 1.4600537 -0.3642567 -3.3906286 12 O -2.7632501 0.3004130 0.3594033 0.3209617 -2.0368353 -0.3077070 0.7253137 -0.2346177 -3.2673202 13 O -2.7632501 -0.3004130 0.3594033 -0.3209617 -2.0368353 0.3077070 0.7253137 0.2346177 -3.2673202 14 O -1.8016830 0.0000000 -0.5403601 0.0000000 -4.9749721 0.0000000 -0.5561209 0.0000000 -1.7941073 15 O -3.4329943 -0.1173158 -2.2584044 0.0016470 -1.2340991 0.1178926 -2.4831892 0.0886836 -3.5929678 16 O -3.4329943 0.1173158 -2.2584044 -0.0016470 -1.2340991 -0.1178926 -2.4831892 -0.0886836 -3.5929678 17 O -2.0141892 0.0000000 0.2945178 0.0000000 -5.0708464 0.0000000 0.4978666 0.0000000 -1.3234421 18 O -2.0141892 0.0000000 0.2945178 0.0000000 -5.0708464 0.0000000 0.4978666 0.0000000 -1.3234421 19 O -3.4329943 -0.1173158 -2.2584044 0.0016470 -1.2340991 0.1178926 -2.4831892 0.0886836 -3.5929678 20 O -3.4329943 0.1173158 -2.2584044 -0.0016470 -1.2340991 -0.1178926 -2.4831892 -0.0886836 -3.5929678 21 O -1.8016830 0.0000000 -0.5403601 0.0000000 -4.9749721 0.0000000 -0.5561209 0.0000000 -1.7941073 22 O -2.7632501 0.3004130 0.3594033 0.3209617 -2.0368353 -0.3077070 0.7253137 -0.2346177 -3.2673202 23 O -2.7632501 -0.3004130 0.3594033 -0.3209617 -2.0368353 0.3077070 0.7253137 0.2346177 -3.2673202 24 O -3.4962042 0.2735651 1.6699423 0.4982796 -1.7234987 0.3509808 1.4600537 0.3642567 -3.3906286 25 O -3.4962042 -0.2735651 1.6699423 -0.4982796 -1.7234987 -0.3509808 1.4600537 -0.3642567 -3.3906286 26 O -1.4217633 0.0000000 0.2461110 0.0000000 -7.0881665 0.0000000 -0.1318832 0.0000000 -1.3473165 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000140 (xxx) 0.00000140 (xxx) 0.00000140 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 7 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 303, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 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 1.080 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.333 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 7.248 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 8.216 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.630 ( 0.000 0.000 0.000) 0.000 8.837 ( 0.000 0.000 0.000) 0.000 9.199 ( 0.000 0.000 0.000) 0.000 9.235 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 9.790 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.546 ( 0.000 0.000 0.000) 0.000 10.776 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.357 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 0.000) 0.000 11.838 ( 0.000 0.000 0.000) 0.000 12.010 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.712 ( 0.000 0.000 0.000) 0.000 12.938 ( 0.000 0.000 0.000) 0.000 13.287 ( 0.000 0.000 0.000) 0.000 13.308 ( 0.000 0.000 0.000) 0.000 13.978 ( 0.000 0.000 0.000) 0.000 14.033 ( 0.000 0.000 0.000) 0.000 14.227 ( 0.000 0.000 0.000) 0.000 14.413 ( 0.000 0.000 0.000) 0.000 14.582 ( 0.000 0.000 0.000) 0.000 14.941 ( 0.000 0.000 0.000) 0.000 15.141 ( 0.000 0.000 0.000) 0.000 16.630 ( 0.000 0.000 0.000) 0.000 17.067 ( 0.000 0.000 0.000) 0.000 17.624 ( 0.000 0.000 0.000) 0.000 17.900 ( 0.000 0.000 0.000) 0.000 18.265 ( 0.000 0.000 0.000) 0.000 18.566 ( 0.000 0.000 0.000) 0.000 19.001 ( 0.000 0.000 0.000) 0.000 19.415 ( 0.000 0.000 0.000) 0.000 19.812 ( 0.000 0.000 0.000) 0.000 20.504 ( 0.000 0.000 0.000) 0.000 21.308 ( 0.000 0.000 0.000) 0.000 24.482 ( 0.000 0.000 0.000) 0.000 25.610 ( 0.000 0.000 0.000) 0.000 25.619 ( 0.000 0.000 0.000) 0.000 27.799 ( 0.000 0.000 0.000) 0.000 28.456 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 20.736 0.000 4.941) 21.317 0.716 ( 35.095 0.000 17.131) 39.053 1.000 ( 50.741 0.000 -1.065) 50.752 1.111 ( 3.674 0.000 -0.325) 3.688 1.910 ( 2.308 0.000 3.442) 4.144 2.239 ( -0.354 0.000 -1.030) 1.089 2.570 ( 1.420 0.000 2.475) 2.853 2.793 ( 2.705 0.000 -1.529) 3.107 3.107 ( -3.046 0.000 0.431) 3.077 3.118 ( -14.136 0.000 -9.617) 17.097 3.374 ( -1.609 0.000 3.198) 3.580 3.597 ( 1.179 0.000 8.915) 8.992 3.740 ( -9.078 0.000 -9.084) 12.842 4.024 ( -11.311 0.000 4.318) 12.107 4.140 ( -12.163 0.000 2.376) 12.393 4.332 ( 3.946 0.000 0.310) 3.958 4.345 ( -0.320 0.000 -10.286) 10.291 4.582 ( 7.305 0.000 -9.746) 12.180 4.890 ( 16.219 0.000 -7.816) 18.005 5.557 ( 4.322 0.000 -26.665) 27.013 5.669 ( 4.248 0.000 18.488) 18.969 5.715 ( -3.744 0.000 19.325) 19.684 5.855 ( 2.231 0.000 -16.634) 16.783 6.035 ( -0.855 0.000 5.950) 6.011 6.200 ( -1.035 0.000 1.029) 1.459 6.331 ( -0.264 0.000 4.804) 4.811 6.693 ( -6.392 0.000 0.258) 6.397 6.994 ( 11.143 0.000 -3.867) 11.795 7.449 ( 13.231 0.000 -13.726) 19.064 7.711 ( -4.422 0.000 1.565) 4.691 8.179 ( -4.239 0.000 -1.959) 4.670 8.503 ( -1.668 0.000 2.283) 2.827 8.558 ( -4.110 0.000 9.544) 10.391 8.716 ( 0.695 0.000 4.618) 4.670 8.872 ( 3.259 0.000 -10.296) 10.799 9.100 ( -8.869 0.000 1.046) 8.931 9.313 ( 1.023 0.000 7.559) 7.627 9.601 ( -12.771 0.000 -0.120) 12.772 10.069 ( 10.533 0.000 11.731) 15.765 10.178 ( 7.728 0.000 5.752) 9.634 10.700 ( -6.011 0.000 3.106) 6.766 10.975 ( 3.312 0.000 2.351) 4.061 10.978 ( -3.031 0.000 -7.005) 7.633 11.137 ( 5.529 0.000 -4.082) 6.873 11.403 ( 4.588 0.000 -1.942) 4.982 11.723 ( -3.798 0.000 7.767) 8.646 11.789 ( -1.230 0.000 -5.632) 5.765 11.911 ( 6.895 0.000 -9.050) 11.377 11.971 ( -8.714 0.000 5.530) 10.321 12.305 ( 8.280 0.000 -2.607) 8.680 12.680 ( -2.965 0.000 -2.539) 3.903 12.745 ( -13.312 0.000 8.626) 15.863 13.223 ( 2.835 0.000 20.882) 21.073 13.250 ( -2.942 0.000 2.436) 3.820 13.740 ( -4.472 0.000 -17.839) 18.391 13.978 ( -0.331 0.000 -7.310) 7.317 14.117 ( 8.109 0.000 -1.489) 8.245 14.300 ( 2.571 0.000 -8.155) 8.550 14.393 ( -0.726 0.000 -0.393) 0.825 14.970 ( 3.003 0.000 0.979) 3.159 15.127 ( -0.679 0.000 -0.644) 0.936 15.480 ( 6.966 0.000 -52.651) 53.110 16.607 ( -2.494 0.000 2.451) 3.497 17.468 ( 5.864 0.000 -54.146) 54.463 17.615 ( -1.160 0.000 3.054) 3.267 17.852 ( -4.349 0.000 5.248) 6.816 18.225 ( -4.211 0.000 1.661) 4.526 18.621 ( 5.368 0.000 -7.650) 9.346 19.262 ( -14.363 0.000 -4.099) 14.936 19.789 ( -2.353 0.000 3.182) 3.958 20.537 ( 3.259 0.000 -0.231) 3.267 21.286 ( -2.141 0.000 0.838) 2.300 22.015 ( 17.641 0.000 -64.909) 67.263 25.518 ( -4.303 0.000 -7.998) 9.082 25.708 ( 4.183 0.000 5.733) 7.097 26.343 ( -23.520 0.000 136.890) 138.896 27.861 ( 4.459 0.000 14.878) 15.532 28.459 ( 0.199 0.000 0.969) 0.989 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 10.577 0.000 1.581) 10.694 1.258 ( 11.983 0.000 1.198) 12.043 1.374 ( 30.980 0.000 13.848) 33.934 1.949 ( 46.454 0.000 -2.121) 46.503 1.975 ( 4.176 0.000 2.047) 4.651 2.233 ( -0.017 0.000 -1.152) 1.152 2.567 ( -2.301 0.000 2.397) 3.322 2.768 ( -14.355 0.000 -8.661) 16.766 2.888 ( 1.199 0.000 -1.849) 2.203 3.031 ( -4.860 0.000 0.796) 4.924 3.346 ( -1.719 0.000 6.253) 6.485 3.468 ( -15.952 0.000 -3.523) 16.337 3.596 ( -3.161 0.000 0.753) 3.250 3.774 ( -12.562 0.000 -0.164) 12.563 3.902 ( -12.171 0.000 13.682) 18.312 4.317 ( -1.860 0.000 -1.127) 2.175 4.535 ( 14.726 0.000 4.381) 15.364 4.711 ( 6.148 0.000 -4.068) 7.372 5.125 ( 6.132 0.000 -4.002) 7.322 5.639 ( 4.711 0.000 -20.398) 20.935 5.698 ( 2.151 0.000 13.527) 13.697 5.753 ( 3.292 0.000 1.464) 3.603 5.875 ( 1.654 0.000 -13.569) 13.670 6.013 ( -1.401 0.000 2.948) 3.264 6.172 ( -2.126 0.000 3.157) 3.806 6.338 ( 0.705 0.000 3.355) 3.428 6.591 ( -3.708 0.000 -0.713) 3.775 7.278 ( 17.154 0.000 -7.186) 18.598 7.601 ( -6.511 0.000 1.969) 6.802 7.703 ( 12.273 0.000 -8.166) 14.741 8.061 ( -6.134 0.000 -0.187) 6.137 8.461 ( -6.693 0.000 11.569) 13.366 8.508 ( 1.090 0.000 4.369) 4.502 8.726 ( 0.165 0.000 3.851) 3.855 8.900 ( -10.345 0.000 -0.815) 10.377 8.915 ( 1.570 0.000 -11.142) 11.252 9.340 ( 1.015 0.000 5.280) 5.377 9.380 ( -9.429 0.000 -0.152) 9.430 10.257 ( 0.199 0.000 8.403) 8.406 10.311 ( 12.423 0.000 1.333) 12.494 10.598 ( -4.125 0.000 3.409) 5.352 10.910 ( -3.005 0.000 -8.151) 8.687 11.115 ( 10.672 0.000 2.816) 11.038 11.204 ( 1.039 0.000 -3.388) 3.544 11.510 ( 5.794 0.000 -4.323) 7.229 11.661 ( -3.385 0.000 9.197) 9.801 11.728 ( -4.672 0.000 -0.566) 4.706 11.798 ( -8.825 0.000 2.295) 9.118 12.040 ( 6.051 0.000 -8.506) 10.439 12.364 ( -5.297 0.000 -5.010) 7.291 12.605 ( -3.824 0.000 -8.077) 8.936 12.616 ( 3.605 0.000 1.979) 4.112 13.218 ( -3.570 0.000 5.017) 6.158 13.219 ( 0.174 0.000 3.779) 3.783 13.663 ( -2.459 0.000 -6.036) 6.518 13.942 ( -3.097 0.000 -0.338) 3.115 14.264 ( -3.956 0.000 -2.727) 4.805 14.318 ( 11.960 0.000 -1.761) 12.089 14.435 ( 3.699 0.000 -8.679) 9.435 15.063 ( 6.722 0.000 1.469) 6.880 15.132 ( 1.368 0.000 -3.439) 3.701 15.582 ( 5.926 0.000 -14.328) 15.505 16.536 ( -5.224 0.000 4.068) 6.621 17.571 ( 7.636 0.000 -14.886) 16.730 17.577 ( -3.229 0.000 6.760) 7.492 17.778 ( -2.873 0.000 2.992) 4.148 18.110 ( -7.614 0.000 3.121) 8.229 18.732 ( 6.246 0.000 -8.974) 10.933 18.922 ( -18.211 0.000 -8.110) 19.935 19.722 ( -5.163 0.000 5.498) 7.542 20.614 ( 4.152 0.000 -0.070) 4.152 21.235 ( -2.871 0.000 1.040) 3.053 22.361 ( 20.236 0.000 -22.647) 30.371 25.441 ( -2.795 0.000 -7.368) 7.880 25.787 ( 3.594 0.000 3.767) 5.206 25.928 ( -25.552 0.000 43.364) 50.332 27.948 ( 2.385 0.000 15.559) 15.741 28.460 ( -0.280 0.000 1.501) 1.527 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 4.727 0.000 -1.936) 5.108 1.534 ( 14.519 0.000 3.102) 14.846 1.928 ( 24.598 0.000 10.379) 26.698 2.077 ( 6.306 0.000 -3.642) 7.282 2.241 ( 0.919 0.000 -0.207) 0.942 2.441 ( -14.222 0.000 -5.240) 15.156 2.497 ( -4.451 0.000 1.434) 4.677 2.722 ( 23.093 0.000 -4.024) 23.441 2.920 ( -6.507 0.000 0.829) 6.560 2.993 ( 11.539 0.000 -2.063) 11.722 3.161 ( -9.898 0.000 -6.114) 11.634 3.309 ( -2.645 0.000 4.323) 5.068 3.488 ( -8.151 0.000 -1.777) 8.343 3.563 ( -9.077 0.000 1.422) 9.188 3.728 ( -6.106 0.000 14.649) 15.871 4.284 ( -1.418 0.000 4.128) 4.365 4.786 ( 1.015 0.000 -3.711) 3.847 4.852 ( 15.341 0.000 11.454) 19.145 5.112 ( -4.483 0.000 -3.079) 5.438 5.666 ( -0.393 0.000 -10.531) 10.538 5.754 ( -0.310 0.000 -2.735) 2.752 5.788 ( 0.049 0.000 1.751) 1.752 5.990 ( 12.952 0.000 -2.339) 13.162 6.019 ( 2.465 0.000 -5.531) 6.056 6.117 ( -3.973 0.000 4.916) 6.321 6.355 ( 0.529 0.000 1.516) 1.605 6.548 ( -0.745 0.000 -2.391) 2.504 7.398 ( -8.521 0.000 0.453) 8.533 7.670 ( 16.943 0.000 -9.031) 19.200 7.815 ( -0.767 0.000 -7.830) 7.868 8.053 ( 6.253 0.000 5.516) 8.338 8.326 ( -7.873 0.000 10.941) 13.479 8.507 ( -1.961 0.000 2.771) 3.394 8.621 ( -10.568 0.000 -1.585) 10.686 8.862 ( 6.240 0.000 4.699) 7.811 8.905 ( -1.780 0.000 -4.669) 4.997 9.238 ( -5.236 0.000 -2.756) 5.917 9.352 ( -0.293 0.000 3.050) 3.064 10.241 ( -1.637 0.000 6.695) 6.893 10.485 ( 2.633 0.000 2.829) 3.864 10.572 ( 2.736 0.000 -1.343) 3.048 10.858 ( -1.231 0.000 -10.897) 10.966 11.182 ( -1.844 0.000 -5.144) 5.464 11.358 ( 13.025 0.000 3.174) 13.406 11.566 ( -6.825 0.000 3.617) 7.724 11.578 ( 1.030 0.000 -5.558) 5.653 11.615 ( -6.320 0.000 2.090) 6.656 11.695 ( -2.354 0.000 9.206) 9.502 12.111 ( 1.397 0.000 2.204) 2.610 12.228 ( -5.695 0.000 -3.137) 6.502 12.542 ( -0.966 0.000 -16.157) 16.186 12.749 ( 6.938 0.000 -2.593) 7.407 13.148 ( -2.840 0.000 2.278) 3.640 13.265 ( 3.618 0.000 2.915) 4.646 13.610 ( -3.076 0.000 -2.726) 4.110 13.874 ( -3.269 0.000 4.742) 5.760 14.186 ( -3.519 0.000 -4.301) 5.557 14.487 ( 2.340 0.000 -7.429) 7.789 14.540 ( 9.968 0.000 -1.020) 10.020 15.166 ( 2.421 0.000 -6.528) 6.962 15.253 ( 13.170 0.000 1.507) 13.256 15.672 ( 3.805 0.000 -1.742) 4.185 16.412 ( -7.820 0.000 3.537) 8.583 17.512 ( -3.633 0.000 6.983) 7.872 17.720 ( 7.227 0.000 3.809) 8.169 17.749 ( -0.630 0.000 0.595) 0.866 17.946 ( -9.196 0.000 3.738) 9.927 18.606 ( -11.857 0.000 -14.228) 18.521 18.834 ( 4.723 0.000 -6.874) 8.340 19.593 ( -8.514 0.000 6.258) 10.566 20.680 ( 2.224 0.000 0.542) 2.289 21.190 ( -1.566 0.000 0.434) 1.625 22.718 ( 17.064 0.000 -7.201) 18.521 25.398 ( -1.127 0.000 -5.551) 5.664 25.479 ( -22.065 0.000 12.672) 25.445 25.855 ( 3.232 0.000 2.034) 3.819 27.974 ( -0.658 0.000 11.500) 11.519 28.448 ( -1.090 0.000 1.421) 1.791 ======================= Grid point 4 (5/128) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 2.925 0.000 -2.027) 3.559 1.786 ( 10.635 0.000 1.903) 10.804 2.168 ( -7.232 0.000 1.275) 7.344 2.185 ( 3.649 0.000 -4.601) 5.873 2.262 ( 0.615 0.000 0.871) 1.066 2.376 ( 15.030 0.000 1.177) 15.076 2.430 ( -1.099 0.000 -0.796) 1.357 2.794 ( -5.810 0.000 0.275) 5.817 2.800 ( -4.736 0.000 -0.119) 4.738 2.893 ( -5.984 0.000 -6.037) 8.501 3.259 ( -2.263 0.000 -0.747) 2.384 3.303 ( -9.327 0.000 1.481) 9.444 3.423 ( -5.741 0.000 5.827) 8.180 3.550 ( 18.189 0.000 4.168) 18.661 3.721 ( 9.665 0.000 -4.214) 10.544 4.282 ( 1.339 0.000 9.282) 9.378 4.707 ( -9.229 0.000 -4.570) 10.299 4.957 ( -4.711 0.000 13.586) 14.380 5.172 ( 10.461 0.000 -8.000) 13.170 5.629 ( -1.929 0.000 -5.428) 5.761 5.712 ( -2.614 0.000 -2.502) 3.618 5.796 ( 1.313 0.000 5.300) 5.460 6.016 ( -4.536 0.000 -1.875) 4.908 6.087 ( 2.337 0.000 -2.559) 3.466 6.291 ( 15.977 0.000 -0.136) 15.978 6.356 ( -0.504 0.000 1.507) 1.589 6.546 ( 0.379 0.000 -2.636) 2.663 7.186 ( -12.070 0.000 0.010) 12.070 7.780 ( -0.980 0.000 -2.964) 3.122 7.970 ( 13.019 0.000 -11.411) 17.312 8.197 ( -5.662 0.000 10.168) 11.638 8.200 ( 6.945 0.000 4.955) 8.531 8.422 ( -6.723 0.000 -6.276) 9.197 8.460 ( -4.558 0.000 4.815) 6.631 8.850 ( -3.394 0.000 2.502) 4.217 9.015 ( 7.383 0.000 3.444) 8.147 9.163 ( -2.250 0.000 -4.640) 5.157 9.338 ( -1.043 0.000 1.443) 1.781 10.223 ( -0.598 0.000 3.453) 3.504 10.470 ( -2.107 0.000 -0.630) 2.199 10.618 ( 0.625 0.000 -0.093) 0.632 10.848 ( 0.471 0.000 -6.374) 6.392 11.157 ( 0.047 0.000 -6.355) 6.355 11.455 ( -4.816 0.000 1.564) 5.063 11.530 ( -1.328 0.000 1.534) 2.029 11.537 ( -0.850 0.000 -1.945) 2.123 11.611 ( 9.134 0.000 -0.367) 9.141 11.658 ( -2.894 0.000 9.090) 9.540 12.090 ( -3.611 0.000 6.866) 7.758 12.155 ( -1.909 0.000 -1.736) 2.580 12.549 ( 2.401 0.000 -13.903) 14.108 12.836 ( 2.255 0.000 -2.755) 3.560 13.128 ( 0.218 0.000 1.365) 1.383 13.334 ( 2.768 0.000 1.294) 3.055 13.549 ( -2.476 0.000 -0.123) 2.479 13.840 ( -0.780 0.000 4.998) 5.058 14.121 ( -2.680 0.000 -4.878) 5.566 14.515 ( 1.037 0.000 -3.728) 3.870 14.678 ( 4.245 0.000 -0.261) 4.253 15.206 ( 1.944 0.000 -5.274) 5.620 15.562 ( 16.953 0.000 1.808) 17.049 15.722 ( 1.478 0.000 1.312) 1.976 16.241 ( -9.745 0.000 0.664) 9.768 17.459 ( -2.148 0.000 4.270) 4.780 17.740 ( -1.121 0.000 0.356) 1.176 17.787 ( -6.006 0.000 2.401) 6.469 17.811 ( 0.983 0.000 10.086) 10.134 18.484 ( 0.403 0.000 -15.197) 15.202 18.900 ( 2.459 0.000 -3.607) 4.366 19.422 ( -8.701 0.000 5.144) 10.108 20.701 ( 0.196 0.000 0.728) 0.754 21.176 ( -0.080 0.000 -0.114) 0.139 22.985 ( 10.141 0.000 -0.778) 10.171 25.133 ( -13.237 0.000 1.411) 13.312 25.383 ( -0.224 0.000 -2.945) 2.954 25.912 ( 2.233 0.000 0.817) 2.378 27.957 ( -1.415 0.000 6.108) 6.269 28.425 ( -1.130 0.000 0.839) 1.408 ======================= Grid point 5 (6/128) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 -0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.265 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 -0.000) 0.000 2.557 ( 0.000 0.000 -0.000) 0.000 2.729 ( 0.000 0.000 -0.000) 0.000 2.740 ( 0.000 0.000 -0.000) 0.000 2.831 ( 0.000 0.000 -0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 -0.000) 0.000 3.364 ( -0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 -0.000) 0.000 4.380 ( -0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 -0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.679 ( 0.000 0.000 -0.000) 0.000 5.830 ( 0.000 0.000 -0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 7.024 ( -0.000 0.000 0.000) 0.000 7.773 ( 0.000 0.000 -0.000) 0.000 8.100 ( 0.000 0.000 -0.000) 0.000 8.146 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 -0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 -0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.140 ( -0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 -0.000) 0.000 10.220 ( 0.000 0.000 0.000) 0.000 10.441 ( 0.000 0.000 0.000) 0.000 10.620 ( 0.000 0.000 0.000) 0.000 10.850 ( 0.000 0.000 0.000) 0.000 11.161 ( 0.000 0.000 -0.000) 0.000 11.400 ( 0.000 0.000 -0.000) 0.000 11.512 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 -0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 11.729 ( 0.000 0.000 -0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.138 ( 0.000 0.000 -0.000) 0.000 12.573 ( 0.000 0.000 0.000) 0.000 12.853 ( 0.000 0.000 -0.000) 0.000 13.134 ( 0.000 0.000 -0.000) 0.000 13.363 ( 0.000 0.000 -0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 13.838 ( 0.000 0.000 0.000) 0.000 14.089 ( 0.000 0.000 -0.000) 0.000 14.523 ( 0.000 0.000 0.000) 0.000 14.716 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 -0.000) 0.000 15.736 ( 0.000 0.000 0.000) 0.000 15.791 ( 0.000 0.000 -0.000) 0.000 16.094 ( -0.000 0.000 -0.000) 0.000 17.440 ( 0.000 0.000 0.000) 0.000 17.698 ( 0.000 0.000 0.000) 0.000 17.755 ( 0.000 0.000 -0.000) 0.000 17.812 ( 0.000 0.000 -0.000) 0.000 18.507 ( 0.000 0.000 -0.000) 0.000 18.922 ( 0.000 0.000 -0.000) 0.000 19.324 ( 0.000 0.000 -0.000) 0.000 20.701 ( 0.000 0.000 0.000) 0.000 21.177 ( 0.000 0.000 0.000) 0.000 23.087 ( 0.000 0.000 -0.000) 0.000 25.000 ( 0.000 0.000 0.000) 0.000 25.380 ( 0.000 0.000 0.000) 0.000 25.935 ( 0.000 0.000 0.000) 0.000 27.944 ( 0.000 0.000 -0.000) 0.000 28.413 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/128) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.000 23.312 0.000) 23.312 0.507 ( 0.000 25.424 0.000) 25.424 1.248 ( 0.000 60.678 0.000) 60.678 1.736 ( 0.000 10.296 0.000) 10.296 2.087 ( 0.000 34.401 0.000) 34.401 2.489 ( 0.000 19.775 0.000) 19.775 2.497 ( 0.000 -3.432 0.000) 3.432 2.786 ( 0.000 2.295 0.000) 2.295 3.156 ( 0.000 2.514 0.000) 2.514 3.320 ( 0.000 -0.765 0.000) 0.765 3.416 ( 0.000 7.915 0.000) 7.915 3.611 ( 0.000 4.753 0.000) 4.753 3.754 ( 0.000 3.588 0.000) 3.588 4.136 ( 0.000 6.734 0.000) 6.734 4.348 ( 0.000 0.957 0.000) 0.957 4.398 ( 0.000 0.095 0.000) 0.095 4.510 ( 0.000 3.217 0.000) 3.217 4.635 ( 0.000 1.826 0.000) 1.826 4.911 ( 0.000 0.711 0.000) 0.711 5.272 ( 0.000 -1.802 0.000) 1.802 5.582 ( 0.000 3.570 0.000) 3.570 5.648 ( 0.000 4.527 0.000) 4.527 5.841 ( 0.000 0.268 0.000) 0.268 6.140 ( 0.000 -1.323 0.000) 1.323 6.216 ( 0.000 2.032 0.000) 2.032 6.264 ( 0.000 -5.801 0.000) 5.801 6.805 ( 0.000 3.161 0.000) 3.161 7.123 ( 0.000 -10.353 0.000) 10.353 7.783 ( 0.000 -0.461 0.000) 0.461 8.062 ( 0.000 -12.492 0.000) 12.492 8.323 ( 0.000 -10.836 0.000) 10.836 8.506 ( 0.000 -2.442 0.000) 2.442 8.722 ( 0.000 2.533 0.000) 2.533 8.843 ( 0.000 5.086 0.000) 5.086 8.934 ( 0.000 0.744 0.000) 0.744 9.224 ( 0.000 3.768 0.000) 3.768 9.237 ( 0.000 0.532 0.000) 0.532 9.600 ( 0.000 -1.369 0.000) 1.369 9.818 ( 0.000 4.957 0.000) 4.957 10.552 ( 0.000 0.760 0.000) 0.760 10.604 ( 0.000 -13.207 0.000) 13.207 10.929 ( 0.000 -3.928 0.000) 3.928 11.086 ( 0.000 8.521 0.000) 8.521 11.134 ( 0.000 -4.365 0.000) 4.365 11.410 ( 0.000 5.027 0.000) 5.027 11.677 ( 0.000 -0.649 0.000) 0.649 11.821 ( 0.000 1.948 0.000) 1.948 12.007 ( 0.000 4.714 0.000) 4.714 12.056 ( 0.000 1.236 0.000) 1.236 12.135 ( 0.000 4.040 0.000) 4.040 12.238 ( 0.000 10.155 0.000) 10.155 12.670 ( 0.000 -5.027 0.000) 5.027 12.889 ( 0.000 -4.746 0.000) 4.746 13.211 ( 0.000 -2.844 0.000) 2.844 13.394 ( 0.000 4.361 0.000) 4.361 13.861 ( 0.000 -9.856 0.000) 9.856 14.157 ( 0.000 -6.739 0.000) 6.739 14.364 ( 0.000 -4.918 0.000) 4.918 14.560 ( 0.000 -1.953 0.000) 1.953 14.823 ( 0.000 2.824 0.000) 2.824 15.210 ( 0.000 12.106 0.000) 12.106 16.478 ( 0.000 29.976 0.000) 29.976 16.828 ( 0.000 17.541 0.000) 17.541 16.974 ( 0.000 -7.895 0.000) 7.895 17.816 ( 0.000 0.887 0.000) 0.887 18.294 ( 0.000 2.688 0.000) 2.688 18.543 ( 0.000 -2.139 0.000) 2.139 19.119 ( 0.000 11.586 0.000) 11.586 19.339 ( 0.000 -7.776 0.000) 7.776 19.806 ( 0.000 -0.138 0.000) 0.138 20.472 ( 0.000 -3.038 0.000) 3.038 21.224 ( 0.000 -8.691 0.000) 8.691 24.519 ( 0.000 7.846 0.000) 7.846 24.532 ( 0.000 5.205 0.000) 5.205 25.582 ( 0.000 -3.786 0.000) 3.786 25.610 ( 0.000 -4.348 0.000) 4.348 27.803 ( 0.000 0.759 0.000) 0.759 28.435 ( 0.000 -2.435 0.000) 2.435 ======================= Grid point 12 (8/128) ======================= q-point: ( 0.10 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 28.373 11.862 16.122) 34.723 0.936 ( 28.231 17.728 -3.669) 33.537 1.445 ( 21.686 48.206 3.263) 52.960 1.763 ( 3.430 16.202 0.490) 16.568 2.065 ( -0.825 34.461 2.122) 34.536 2.475 ( -0.736 15.502 -1.331) 15.576 2.543 ( 2.883 1.415 3.892) 5.046 2.801 ( 1.383 1.116 -1.452) 2.295 3.076 ( -6.292 -0.694 -1.345) 6.472 3.199 ( -11.531 8.278 -9.749) 17.220 3.427 ( 0.675 1.644 7.571) 7.776 3.609 ( -2.432 3.910 4.446) 6.401 3.722 ( -2.637 5.130 -5.972) 8.303 4.030 ( -9.799 2.485 19.961) 22.375 4.164 ( -15.200 2.027 2.189) 15.490 4.298 ( -2.870 4.027 1.212) 5.091 4.588 ( 5.800 1.996 -4.839) 7.813 4.744 ( -2.464 10.566 -11.709) 15.962 4.909 ( 12.739 1.966 -5.411) 13.980 5.302 ( 0.653 -10.730 6.859) 12.752 5.630 ( 4.349 4.837 -2.817) 7.088 5.762 ( 7.540 2.347 -5.764) 9.776 5.856 ( 2.472 -0.479 -12.864) 13.109 6.153 ( 0.414 -2.776 8.068) 8.542 6.211 ( -0.416 0.773 -9.672) 9.712 6.276 ( 1.654 -1.956 8.806) 9.171 6.708 ( -7.114 3.311 1.257) 7.947 7.257 ( 9.992 -8.223 0.460) 12.949 7.724 ( -6.989 6.912 4.348) 10.748 7.962 ( -11.693 6.743 -6.343) 14.914 8.178 ( -12.165 19.975 -3.591) 23.662 8.300 ( -4.326 -11.237 1.512) 12.136 8.491 ( -1.161 -2.108 1.674) 2.932 8.809 ( -4.229 -2.235 0.220) 4.788 8.960 ( 6.603 3.135 -1.404) 7.443 9.121 ( -6.486 2.465 3.972) 7.995 9.316 ( -1.060 2.139 2.177) 3.231 9.710 ( -10.305 10.636 -2.615) 15.038 9.981 ( 18.364 -4.855 9.395) 21.191 10.335 ( -2.641 5.754 5.939) 8.681 10.660 ( -2.127 -2.496 -0.156) 3.283 10.931 ( -3.208 -4.355 -3.608) 6.502 11.007 ( -1.857 3.087 1.383) 3.859 11.188 ( 3.459 5.978 -2.088) 7.215 11.308 ( 5.156 -6.225 5.140) 9.579 11.778 ( -1.209 4.214 4.686) 6.417 11.823 ( -3.357 -9.264 -0.406) 9.862 11.894 ( -5.133 9.059 -2.039) 10.610 12.046 ( 3.446 8.644 -9.524) 13.315 12.236 ( 6.919 -4.811 -3.510) 9.129 12.577 ( -2.683 -7.966 7.109) 11.009 12.744 ( 0.519 -0.730 0.345) 0.960 12.897 ( 17.699 -13.587 -5.800) 23.054 13.268 ( 3.893 -3.867 -2.928) 6.219 13.397 ( 1.795 -0.081 -7.159) 7.381 13.819 ( -2.872 -8.560 0.568) 9.047 14.167 ( 0.797 -6.647 -3.465) 7.538 14.336 ( -2.684 -4.987 1.766) 5.932 14.501 ( -0.103 3.044 2.975) 4.258 15.010 ( 10.484 -6.058 -5.114) 13.144 15.245 ( 5.348 16.277 0.206) 17.134 16.132 ( -23.332 44.049 -6.117) 50.221 16.818 ( -1.810 19.395 -2.206) 19.604 17.133 ( 11.157 -11.289 -13.586) 20.893 17.737 ( -7.306 2.070 7.841) 10.915 18.172 ( -13.438 4.656 5.727) 15.332 18.544 ( -13.536 17.328 -6.340) 22.884 18.624 ( -4.128 9.297 -6.991) 12.343 19.263 ( -11.249 -3.842 -10.669) 15.973 19.894 ( 0.697 7.042 -2.258) 7.428 20.508 ( 3.144 -3.181 -0.424) 4.492 21.191 ( -2.121 -8.446 0.138) 8.709 22.805 ( -33.251 56.159 -67.493) 93.887 25.451 ( -3.853 -7.172 -7.212) 10.876 25.684 ( 5.609 -2.540 8.477) 10.477 25.907 ( 11.678 -26.907 94.444) 98.894 27.828 ( 3.340 -0.915 3.635) 5.021 28.441 ( 0.504 -2.239 0.875) 2.456 ======================= Grid point 13 (9/128) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 15.020 32.037 -0.870) 35.394 1.424 ( 28.633 5.194 13.186) 31.948 1.809 ( 7.727 24.750 -2.101) 26.013 2.071 ( 5.968 20.624 4.699) 21.978 2.137 ( 32.362 25.085 0.701) 40.951 2.456 ( -1.135 14.273 -0.770) 14.338 2.576 ( -0.576 3.184 3.613) 4.850 2.803 ( -4.455 2.013 -6.280) 7.959 2.878 ( -9.137 2.854 -3.454) 10.177 3.048 ( -2.879 4.127 -3.500) 6.129 3.378 ( -6.008 5.838 6.988) 10.909 3.525 ( -7.844 2.887 1.342) 8.465 3.623 ( -5.760 3.278 -1.595) 6.816 3.860 ( -9.530 8.001 10.258) 16.126 3.886 ( -12.087 -0.878 7.469) 14.235 4.288 ( 1.171 1.865 1.198) 2.507 4.688 ( 4.969 2.364 0.054) 5.503 4.755 ( 5.046 9.416 -4.244) 11.496 5.113 ( 4.105 -0.612 0.372) 4.167 5.339 ( 5.064 -15.390 3.574) 16.591 5.717 ( 3.524 6.691 -11.801) 14.017 5.831 ( 2.360 -1.311 -10.554) 10.894 5.927 ( 3.908 1.559 -6.531) 7.769 6.159 ( -1.501 -0.597 -4.185) 4.486 6.174 ( -1.143 -1.353 6.834) 7.060 6.347 ( 4.363 2.357 2.042) 5.363 6.592 ( -4.096 7.506 3.857) 9.380 7.431 ( 7.124 -6.385 0.663) 9.590 7.636 ( 0.402 16.881 1.153) 16.925 7.880 ( 1.465 4.682 -6.056) 7.794 8.082 ( -3.043 4.553 0.933) 5.555 8.201 ( -3.999 -4.182 2.704) 6.387 8.537 ( 4.189 -4.515 1.720) 6.395 8.711 ( -5.455 -6.521 -0.017) 8.502 8.987 ( -6.261 7.584 5.152) 11.102 9.066 ( 2.437 9.518 -6.756) 11.924 9.275 ( -2.154 -3.233 3.564) 5.272 9.472 ( -11.200 9.937 -0.481) 14.980 10.251 ( 8.742 -2.332 6.348) 11.053 10.374 ( 2.206 5.540 4.833) 7.675 10.611 ( -1.923 2.690 -0.357) 3.326 10.828 ( -3.242 -6.689 -8.577) 11.350 11.104 ( 8.269 -0.866 2.875) 8.798 11.247 ( 2.415 3.877 -1.544) 4.822 11.450 ( 6.457 -5.569 3.741) 9.311 11.692 ( -7.576 -4.969 -1.902) 9.257 11.742 ( -2.105 4.552 7.839) 9.306 11.798 ( -5.102 7.129 -3.424) 9.412 12.119 ( 2.485 4.872 -7.832) 9.553 12.301 ( -1.247 -5.037 -4.072) 6.596 12.532 ( 2.590 -3.456 3.255) 5.408 12.668 ( -3.282 2.499 -7.132) 8.239 13.121 ( 4.517 -6.227 0.480) 7.708 13.257 ( -3.797 0.897 4.624) 6.051 13.495 ( 5.330 -10.911 -9.686) 15.533 13.805 ( 0.802 -8.166 1.383) 8.321 14.167 ( -1.100 -6.060 -5.217) 8.071 14.298 ( 0.555 -5.377 1.110) 5.519 14.605 ( 9.997 2.381 -1.172) 10.343 15.077 ( -1.044 -2.722 -3.227) 4.349 15.453 ( 13.089 19.415 2.581) 23.557 15.783 ( -11.286 37.239 -9.491) 40.052 16.745 ( -5.687 18.567 -0.200) 19.420 17.325 ( 9.860 -11.897 -8.206) 17.496 17.616 ( -4.602 3.204 7.956) 9.734 17.930 ( -9.727 5.431 9.701) 14.773 18.318 ( -8.481 18.761 0.119) 20.589 18.708 ( 5.793 -2.238 -9.028) 10.958 18.959 ( -17.057 0.501 -11.072) 20.342 19.831 ( -5.882 10.414 1.818) 12.098 20.580 ( 3.971 -3.654 -0.462) 5.416 21.154 ( -2.110 -8.203 1.342) 8.576 22.640 ( 8.321 27.101 -23.822) 37.029 25.371 ( -2.927 -7.464 -8.003) 11.328 25.759 ( -1.261 -3.300 8.446) 9.155 25.847 ( -12.303 -6.161 35.071) 37.674 27.906 ( 2.834 -2.844 10.528) 11.267 28.449 ( 0.092 -1.674 1.498) 2.248 ======================= Grid point 14 (10/128) ======================= q-point: ( 0.30 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 10.492 37.323 -0.803) 38.778 1.938 ( 18.905 9.495 2.186) 21.268 1.970 ( 12.532 22.750 3.712) 26.238 2.138 ( 4.274 14.949 2.270) 15.713 2.406 ( -5.712 7.223 -2.901) 9.655 2.464 ( -6.091 5.119 1.038) 8.024 2.648 ( -3.172 19.151 0.684) 19.424 2.695 ( 4.763 -2.472 -2.209) 5.804 2.893 ( 6.752 2.325 -4.584) 8.486 3.105 ( 17.720 7.669 -3.424) 19.610 3.213 ( -10.708 8.019 -0.625) 13.392 3.357 ( -7.137 3.279 4.958) 9.288 3.517 ( -6.340 1.725 7.640) 10.077 3.621 ( -11.366 4.315 -5.470) 13.331 3.776 ( -3.597 7.127 11.823) 14.266 4.308 ( 0.336 2.827 3.893) 4.823 4.759 ( 0.599 -2.333 -1.213) 2.696 4.910 ( 9.884 4.473 6.780) 12.794 5.087 ( -3.717 -2.153 1.060) 4.425 5.479 ( 7.016 -13.361 -2.082) 15.234 5.717 ( -1.530 3.659 -7.557) 8.534 5.840 ( -2.734 -0.049 -4.612) 5.362 5.990 ( 4.265 -1.102 -7.248) 8.482 6.087 ( -3.853 0.517 -3.404) 5.167 6.210 ( 2.660 0.148 4.741) 5.439 6.424 ( 3.085 -3.705 -3.564) 5.996 6.588 ( 4.056 20.580 4.888) 21.538 7.462 ( -3.802 1.289 1.192) 4.188 7.744 ( 7.506 8.811 -3.575) 12.114 7.889 ( 0.723 1.897 -3.610) 4.142 8.021 ( -3.817 -13.083 8.736) 16.188 8.236 ( 7.156 15.580 -1.444) 17.206 8.524 ( -5.394 -2.104 -4.342) 7.237 8.709 ( 4.150 -7.249 1.462) 8.480 8.871 ( -4.246 9.806 3.970) 11.399 9.061 ( -2.653 14.300 -2.796) 14.810 9.242 ( -2.127 -1.755 1.890) 3.343 9.320 ( -4.049 0.672 1.232) 4.285 10.310 ( -1.416 6.595 6.299) 9.229 10.412 ( 0.590 -6.792 2.727) 7.343 10.596 ( 0.057 0.937 -3.893) 4.004 10.810 ( 1.670 -3.455 -9.336) 10.094 11.186 ( -1.419 0.803 -3.489) 3.851 11.364 ( 9.884 0.588 3.806) 10.608 11.464 ( -5.286 -8.269 2.848) 10.220 11.607 ( -0.300 2.747 0.307) 2.781 11.692 ( -4.623 6.150 -2.157) 7.991 11.745 ( 1.222 7.085 6.542) 9.721 12.099 ( -2.411 -4.820 -3.734) 6.557 12.263 ( -2.410 6.184 3.073) 7.314 12.594 ( 1.101 3.420 -10.422) 11.024 12.675 ( 5.734 -5.338 -4.228) 8.902 13.108 ( -4.009 -3.571 1.321) 5.529 13.269 ( 4.255 -0.490 0.816) 4.360 13.528 ( -0.735 -7.241 -2.728) 7.773 13.797 ( -1.787 -6.844 4.021) 8.136 14.112 ( -3.322 -5.536 -4.739) 8.009 14.372 ( 5.333 -6.076 -3.333) 8.745 14.866 ( 16.099 0.399 -1.481) 16.172 15.037 ( -1.729 3.652 -2.706) 4.863 15.618 ( -2.570 37.527 -3.645) 37.791 15.713 ( 9.291 8.733 1.777) 12.874 16.605 ( -8.461 16.088 1.132) 18.213 17.504 ( 8.262 -8.754 0.327) 12.042 17.573 ( -0.710 3.933 3.818) 5.527 17.799 ( -5.051 2.030 8.864) 10.402 18.157 ( -8.670 15.779 4.928) 18.666 18.644 ( -11.888 2.106 -13.421) 18.052 18.810 ( 4.327 -2.586 -7.038) 8.657 19.690 ( -8.572 9.848 3.716) 13.574 20.645 ( 2.470 -3.694 0.332) 4.456 21.112 ( -2.001 -8.243 0.643) 8.507 22.863 ( 13.410 15.230 -7.610) 21.672 25.329 ( -0.947 -7.476 -5.837) 9.531 25.467 ( -18.922 -0.605 11.211) 22.002 25.851 ( 2.683 -0.790 2.905) 4.032 27.939 ( -0.118 -2.659 9.604) 9.966 28.443 ( -0.871 -1.108 1.461) 2.030 ======================= Grid point 15 (11/128) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 8.779 44.196 -3.233) 45.175 2.038 ( -0.032 21.293 0.206) 21.294 2.210 ( -4.324 11.080 3.724) 12.464 2.238 ( 4.032 6.157 -2.035) 7.636 2.384 ( 11.022 5.233 -0.474) 12.211 2.410 ( 2.733 1.795 1.842) 3.753 2.604 ( -2.282 20.947 1.579) 21.130 2.701 ( 1.648 1.104 -3.713) 4.210 2.871 ( -4.167 -0.848 -3.549) 5.539 3.015 ( -8.859 13.056 -1.483) 15.847 3.250 ( -5.200 0.429 2.018) 5.594 3.380 ( -6.326 3.603 14.279) 16.028 3.413 ( -3.935 1.746 -11.612) 12.385 3.616 ( 11.026 6.233 8.646) 15.335 3.808 ( 13.512 9.176 -4.843) 17.036 4.318 ( 0.870 3.816 7.337) 8.316 4.678 ( -8.975 -2.638 -2.403) 9.658 4.981 ( -3.730 1.964 12.190) 12.898 5.131 ( 7.958 -3.797 -7.119) 11.332 5.587 ( 4.606 -10.042 -4.574) 11.958 5.683 ( -0.890 2.144 -2.690) 3.553 5.746 ( -5.417 -2.535 3.790) 7.081 6.007 ( -3.800 0.257 -1.632) 4.143 6.062 ( 3.004 -0.997 -5.557) 6.395 6.255 ( 1.280 -2.237 1.628) 3.048 6.458 ( 1.086 -7.924 -2.873) 8.498 6.754 ( 11.329 29.951 2.401) 32.112 7.334 ( -8.850 10.733 -0.194) 13.913 7.784 ( -0.504 3.480 -2.271) 4.186 7.908 ( -2.219 -11.053 2.728) 11.599 8.047 ( 6.821 -2.968 2.795) 7.947 8.323 ( -2.143 0.944 -1.009) 2.550 8.495 ( 6.227 15.754 -6.272) 18.063 8.695 ( -3.558 9.926 0.019) 10.544 8.909 ( 4.555 -7.267 0.895) 8.624 8.970 ( -5.979 16.674 4.662) 18.317 9.222 ( 0.540 3.238 -0.406) 3.308 9.280 ( -1.190 -5.018 1.311) 5.321 10.270 ( -2.417 3.479 1.961) 4.668 10.415 ( 0.236 -4.799 0.585) 4.840 10.570 ( -2.288 -4.729 -2.443) 5.794 10.846 ( 1.855 -0.188 -4.937) 5.278 11.137 ( -2.011 -0.529 -3.801) 4.333 11.357 ( -4.569 -8.538 1.389) 9.783 11.486 ( 1.120 -0.369 3.075) 3.293 11.624 ( -1.867 6.527 -3.159) 7.487 11.665 ( 4.703 6.432 2.400) 8.322 11.789 ( 3.571 10.175 4.134) 11.548 12.067 ( -0.612 -5.730 -0.361) 5.774 12.186 ( -5.720 6.577 4.276) 9.709 12.625 ( 2.912 6.529 -10.565) 12.756 12.770 ( 3.178 -6.282 -2.319) 7.413 13.050 ( -1.698 -6.702 1.409) 7.055 13.347 ( 3.018 -0.649 -0.412) 3.114 13.494 ( -1.771 -5.340 0.188) 5.629 13.774 ( -0.666 -6.466 4.203) 7.741 14.047 ( -2.687 -5.031 -4.576) 7.312 14.454 ( 3.046 -4.738 -2.788) 6.285 14.994 ( -0.692 -4.856 -1.845) 5.240 15.200 ( 15.039 15.582 -0.360) 21.658 15.548 ( -3.992 18.858 -1.731) 19.353 15.909 ( 9.749 16.161 2.598) 19.052 16.430 ( -9.260 15.216 0.009) 17.812 17.547 ( -1.106 8.004 2.598) 8.487 17.646 ( 4.219 -5.851 3.993) 8.245 17.751 ( -0.244 1.637 2.556) 3.045 17.990 ( -8.479 11.494 6.008) 15.496 18.499 ( -1.956 0.906 -11.497) 11.697 18.872 ( 2.379 -2.937 -3.685) 5.278 19.525 ( -7.840 10.484 3.169) 13.469 20.674 ( 0.560 -2.990 0.756) 3.135 21.084 ( -0.856 -9.689 -0.205) 9.729 23.087 ( 9.032 11.038 -0.969) 14.295 25.160 ( -12.080 2.968 1.188) 12.496 25.318 ( -0.033 -7.048 -2.986) 7.655 25.899 ( 1.871 -1.621 0.918) 2.640 27.931 ( -1.025 -2.068 5.468) 5.935 28.423 ( -1.066 -0.795 0.856) 1.581 ======================= Grid point 16 (12/128) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.000 56.406 0.000) 56.406 2.017 ( 0.000 5.964 -0.000) 5.964 2.152 ( 0.000 9.736 -0.000) 9.736 2.261 ( 0.000 9.224 0.000) 9.224 2.420 ( 0.000 -0.437 -0.000) 0.437 2.556 ( 0.000 22.491 -0.000) 22.491 2.593 ( -0.000 3.246 -0.000) 3.246 2.750 ( 0.000 5.390 0.000) 5.390 2.809 ( 0.000 -1.865 0.000) 1.865 2.902 ( 0.000 14.619 -0.000) 14.619 3.178 ( 0.000 0.866 -0.000) 0.866 3.321 ( 0.000 5.632 -0.000) 5.632 3.359 ( -0.000 -0.302 0.000) 0.302 3.667 ( 0.000 4.764 -0.000) 4.764 4.071 ( 0.000 10.936 -0.000) 10.936 4.404 ( -0.000 2.311 -0.000) 2.311 4.460 ( 0.000 -3.062 0.000) 3.062 4.942 ( 0.000 2.641 -0.000) 2.641 5.214 ( 0.000 -5.970 0.000) 5.970 5.656 ( -0.000 -0.524 0.000) 0.524 5.658 ( 0.000 -2.468 -0.000) 2.468 5.685 ( 0.000 -7.593 -0.000) 7.593 5.961 ( 0.000 1.102 0.000) 1.102 6.090 ( 0.000 -1.301 0.000) 1.301 6.266 ( 0.000 -2.958 0.000) 2.958 6.467 ( 0.000 -7.956 0.000) 7.956 6.923 ( 0.000 32.664 0.000) 32.664 7.194 ( -0.000 12.230 0.000) 12.230 7.778 ( 0.000 2.993 -0.000) 2.993 7.880 ( 0.000 -12.454 -0.000) 12.454 8.139 ( 0.000 -3.862 0.000) 3.862 8.269 ( 0.000 -1.701 0.000) 1.701 8.603 ( 0.000 25.467 -0.000) 25.467 8.647 ( 0.000 6.274 -0.000) 6.274 8.886 ( 0.000 15.571 -0.000) 15.571 8.961 ( -0.000 -7.151 0.000) 7.151 9.237 ( -0.000 4.057 0.000) 4.057 9.268 ( 0.000 -5.297 -0.000) 5.297 10.243 ( 0.000 0.060 0.000) 0.060 10.421 ( 0.000 0.216 0.000) 0.216 10.538 ( 0.000 -8.320 -0.000) 8.320 10.861 ( 0.000 0.496 -0.000) 0.496 11.118 ( 0.000 -1.820 -0.000) 1.820 11.307 ( 0.000 -8.313 -0.000) 8.313 11.491 ( 0.000 0.328 -0.000) 0.328 11.608 ( -0.000 6.141 0.000) 6.141 11.701 ( 0.000 8.288 0.000) 8.288 11.867 ( 0.000 10.901 -0.000) 10.901 12.072 ( 0.000 -5.199 -0.000) 5.199 12.096 ( 0.000 5.358 0.000) 5.358 12.656 ( 0.000 7.396 0.000) 7.396 12.795 ( 0.000 -5.683 -0.000) 5.683 13.037 ( 0.000 -8.693 0.000) 8.693 13.376 ( 0.000 -0.927 -0.000) 0.927 13.477 ( 0.000 -4.856 0.000) 4.856 13.772 ( 0.000 -6.627 0.000) 6.627 14.015 ( 0.000 -4.640 -0.000) 4.640 14.482 ( 0.000 -4.022 0.000) 4.022 14.986 ( 0.000 -3.112 -0.000) 3.112 15.406 ( 0.000 47.872 -0.000) 47.872 15.457 ( 0.000 -16.315 -0.000) 16.315 16.045 ( 0.000 13.894 -0.000) 13.894 16.301 ( 0.000 16.755 -0.000) 16.755 17.532 ( 0.000 7.561 0.000) 7.561 17.695 ( 0.000 -4.084 -0.000) 4.084 17.758 ( -0.000 8.712 0.000) 8.712 17.892 ( 0.000 5.677 -0.000) 5.677 18.491 ( 0.000 -1.477 -0.000) 1.477 18.894 ( 0.000 -3.023 -0.000) 3.023 19.439 ( 0.000 11.481 -0.000) 11.481 20.678 ( 0.000 -2.529 0.000) 2.529 21.077 ( 0.000 -10.592 0.000) 10.592 23.180 ( 0.000 10.005 -0.000) 10.005 25.037 ( 0.000 4.027 0.000) 4.027 25.317 ( 0.000 -6.849 0.000) 6.849 25.919 ( 0.000 -2.018 0.000) 2.018 27.922 ( 0.000 -1.772 -0.000) 1.772 28.412 ( 0.000 -0.712 0.000) 0.712 ======================= Grid point 22 (13/128) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.000 20.853 0.000) 20.853 0.980 ( 0.000 23.580 0.000) 23.580 1.696 ( 0.000 -6.710 0.000) 6.710 2.186 ( 0.000 -12.729 0.000) 12.729 2.281 ( 0.000 39.846 0.000) 39.846 2.772 ( 0.000 7.521 0.000) 7.521 2.805 ( 0.000 4.723 0.000) 4.723 3.144 ( 0.000 42.297 0.000) 42.297 3.243 ( 0.000 -5.732 0.000) 5.732 3.302 ( 0.000 15.371 0.000) 15.371 3.589 ( 0.000 2.366 0.000) 2.366 3.731 ( 0.000 9.010 0.000) 9.010 4.037 ( 0.000 29.471 0.000) 29.471 4.286 ( 0.000 7.168 0.000) 7.168 4.388 ( 0.000 3.148 0.000) 3.148 4.394 ( 0.000 -0.559 0.000) 0.559 4.589 ( 0.000 4.399 0.000) 4.399 4.656 ( 0.000 0.235 0.000) 0.235 4.902 ( 0.000 -2.558 0.000) 2.558 5.248 ( 0.000 -0.451 0.000) 0.451 5.645 ( 0.000 1.865 0.000) 1.865 5.693 ( 0.000 -7.575 0.000) 7.575 5.788 ( 0.000 -1.058 0.000) 1.058 6.005 ( 0.000 -12.155 0.000) 12.155 6.235 ( 0.000 5.318 0.000) 5.318 6.276 ( 0.000 3.211 0.000) 3.211 6.907 ( 0.000 6.475 0.000) 6.475 6.935 ( 0.000 -7.285 0.000) 7.285 7.694 ( 0.000 -6.504 0.000) 6.504 7.820 ( 0.000 -11.400 0.000) 11.400 8.205 ( 0.000 -3.569 0.000) 3.569 8.420 ( 0.000 -8.384 0.000) 8.384 8.709 ( 0.000 -0.841 0.000) 0.841 8.859 ( 0.000 -0.747 0.000) 0.747 8.973 ( 0.000 4.397 0.000) 4.397 9.221 ( 0.000 -3.089 0.000) 3.089 9.278 ( 0.000 -0.095 0.000) 0.095 9.483 ( 0.000 -9.255 0.000) 9.255 10.009 ( 0.000 11.220 0.000) 11.220 10.354 ( 0.000 -11.018 0.000) 11.018 10.604 ( 0.000 6.552 0.000) 6.552 10.837 ( 0.000 -4.519 0.000) 4.519 11.010 ( 0.000 -8.098 0.000) 8.098 11.288 ( 0.000 9.738 0.000) 9.738 11.552 ( 0.000 9.272 0.000) 9.272 11.602 ( 0.000 -7.626 0.000) 7.626 11.826 ( 0.000 2.069 0.000) 2.069 12.001 ( 0.000 -4.147 0.000) 4.147 12.145 ( 0.000 7.527 0.000) 7.527 12.350 ( 0.000 14.049 0.000) 14.049 12.507 ( 0.000 -10.718 0.000) 10.718 12.536 ( 0.000 18.282 0.000) 18.282 12.783 ( 0.000 -4.990 0.000) 4.990 13.203 ( 0.000 1.671 0.000) 1.671 13.435 ( 0.000 -1.523 0.000) 1.523 13.653 ( 0.000 -11.097 0.000) 11.097 14.010 ( 0.000 -6.676 0.000) 6.676 14.234 ( 0.000 -8.080 0.000) 8.080 14.524 ( 0.000 -1.240 0.000) 1.240 14.757 ( 0.000 -6.751 0.000) 6.751 15.587 ( 0.000 22.607 0.000) 22.607 16.716 ( 0.000 -14.987 0.000) 14.987 17.218 ( 0.000 41.819 0.000) 41.819 17.281 ( 0.000 23.213 0.000) 23.213 17.839 ( 0.000 1.684 0.000) 1.684 18.365 ( 0.000 5.083 0.000) 5.083 18.487 ( 0.000 -3.820 0.000) 3.820 19.124 ( 0.000 -14.010 0.000) 14.010 19.417 ( 0.000 18.204 0.000) 18.204 19.840 ( 0.000 4.716 0.000) 4.716 20.377 ( 0.000 -6.811 0.000) 6.811 20.972 ( 0.000 -17.300 0.000) 17.300 24.682 ( 0.000 10.183 0.000) 10.183 24.723 ( 0.000 12.455 0.000) 12.455 25.473 ( 0.000 -7.377 0.000) 7.377 25.480 ( 0.000 -8.982 0.000) 8.982 27.847 ( 0.000 4.301 0.000) 4.301 28.348 ( 0.000 -6.741 0.000) 6.741 ======================= Grid point 23 (14/128) ======================= q-point: ( 0.10 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 19.328 14.885 12.926) 27.608 1.254 ( 24.109 16.882 -3.191) 29.604 1.767 ( 6.512 -4.818 3.317) 8.754 2.253 ( 5.550 -12.325 3.306) 13.915 2.355 ( 8.074 38.679 2.289) 39.579 2.750 ( -2.320 6.384 -1.548) 6.967 2.803 ( -0.095 3.446 -2.393) 4.196 3.046 ( -7.737 15.090 -4.529) 17.552 3.199 ( -1.959 32.385 1.118) 32.463 3.352 ( -0.539 4.811 1.585) 5.094 3.488 ( -4.961 4.575 -2.906) 7.348 3.728 ( -2.382 9.114 6.013) 11.175 4.036 ( -2.815 26.916 -2.951) 27.223 4.091 ( -14.610 2.944 20.702) 25.509 4.227 ( -10.486 7.115 7.038) 14.495 4.391 ( -1.392 3.331 -3.216) 4.834 4.650 ( 4.156 4.697 -4.850) 7.928 4.803 ( 7.368 -1.325 -10.385) 12.802 4.923 ( 5.948 -2.557 -4.205) 7.720 5.218 ( -3.408 0.350 8.013) 8.715 5.707 ( 4.666 -1.935 2.135) 5.484 5.740 ( 3.220 -5.813 -6.911) 9.587 5.838 ( 6.596 0.590 -8.219) 10.555 5.991 ( -1.607 -13.575 4.853) 14.506 6.196 ( -1.845 3.561 -10.520) 11.259 6.311 ( 1.497 2.554 2.613) 3.948 6.821 ( -1.319 6.981 1.966) 7.371 7.119 ( 10.972 -4.132 -1.725) 11.850 7.694 ( 0.177 -5.455 2.712) 6.095 7.823 ( 0.394 -9.180 -0.510) 9.203 8.181 ( -3.583 -2.737 1.970) 4.920 8.384 ( -1.659 -4.876 1.114) 5.270 8.602 ( -11.910 9.281 -1.253) 15.151 8.701 ( -8.833 -3.522 -2.479) 9.828 8.931 ( 3.696 -3.301 5.995) 7.778 9.134 ( -2.012 -2.789 -1.374) 3.704 9.355 ( 0.992 1.527 -0.204) 1.832 9.845 ( 19.746 -9.857 7.888) 23.437 9.981 ( -4.992 14.847 -5.924) 16.747 10.321 ( 3.031 -3.877 0.603) 4.958 10.655 ( 3.002 2.880 -3.141) 5.213 10.839 ( -0.813 -4.107 -0.274) 4.196 11.039 ( 1.783 -3.354 1.025) 3.935 11.248 ( -4.166 1.139 6.385) 7.709 11.378 ( -3.660 11.973 3.309) 12.950 11.622 ( -3.132 -9.376 -3.779) 10.583 11.885 ( 3.195 6.336 3.675) 7.991 12.043 ( 1.256 -0.201 2.838) 3.110 12.113 ( 0.026 2.234 -7.982) 8.288 12.302 ( -5.967 10.375 -1.855) 12.111 12.495 ( 1.000 -2.012 4.993) 5.475 12.728 ( 3.033 0.431 -3.687) 4.794 12.788 ( 11.807 0.823 -6.758) 13.629 13.220 ( 1.744 -0.332 -4.407) 4.751 13.418 ( -2.354 -0.622 -2.600) 3.562 13.631 ( -1.362 -10.358 1.318) 10.530 14.015 ( 0.978 -7.501 -2.995) 8.135 14.203 ( -2.978 -8.290 2.133) 9.063 14.515 ( 0.842 0.341 1.906) 2.111 14.842 ( 6.239 -9.471 -2.652) 11.647 15.631 ( 4.668 21.189 -0.297) 21.699 16.648 ( -6.185 -4.226 5.779) 9.461 17.248 ( 2.027 35.384 -11.875) 37.379 17.277 ( -0.164 22.346 1.546) 22.400 17.783 ( -5.156 3.323 8.284) 10.308 18.257 ( -10.633 5.891 6.192) 13.642 18.531 ( 4.328 -4.132 -7.201) 9.363 18.985 ( -13.800 4.598 13.127) 19.593 19.165 ( -13.995 6.495 -15.379) 21.784 20.009 ( 7.794 5.474 -3.516) 10.152 20.408 ( 2.786 -7.080 -0.853) 7.656 20.953 ( -1.579 -16.247 1.151) 16.364 23.733 ( -36.280 39.885 -47.096) 71.590 25.244 ( -3.851 -13.794 -7.580) 16.204 25.555 ( 17.827 -8.686 48.352) 52.261 25.632 ( 5.973 -4.759 12.191) 14.386 27.856 ( 1.241 3.998 0.176) 4.190 28.357 ( 0.780 -6.687 0.823) 6.782 ======================= Grid point 24 (15/128) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 23.864 8.136 9.713) 27.020 1.730 ( 22.450 12.091 -1.628) 25.551 1.913 ( 7.350 0.171 2.524) 7.773 2.352 ( 3.633 -6.083 5.008) 8.676 2.596 ( 11.943 21.423 3.873) 24.830 2.658 ( -6.308 4.656 -4.305) 8.944 2.811 ( 3.150 3.815 -4.537) 6.712 2.925 ( -2.797 6.639 -3.082) 7.836 3.159 ( -2.363 37.821 1.748) 37.935 3.249 ( -5.576 11.436 -5.748) 13.961 3.483 ( 0.481 2.293 11.495) 11.731 3.649 ( -5.534 11.982 -1.526) 13.286 3.783 ( -14.302 8.574 17.448) 24.134 3.908 ( -11.249 8.482 -1.496) 14.167 4.113 ( -2.933 22.128 4.629) 22.797 4.365 ( -0.510 3.350 -0.246) 3.398 4.707 ( 1.925 1.520 -1.356) 2.802 4.881 ( 4.070 1.821 -8.481) 9.582 5.106 ( 8.935 -9.106 -5.710) 13.977 5.145 ( -3.490 3.506 13.850) 14.707 5.735 ( -0.735 -8.551 -3.820) 9.394 5.847 ( 6.217 2.470 -6.829) 9.559 5.906 ( -1.861 -5.717 0.774) 6.062 6.024 ( 6.492 -9.190 -3.256) 11.714 6.161 ( -0.730 2.766 -10.196) 10.589 6.313 ( -1.331 -1.319 0.579) 1.962 6.871 ( 5.686 14.913 1.299) 16.013 7.312 ( 8.485 -4.776 -0.315) 9.742 7.715 ( 1.657 -4.920 3.753) 6.406 7.850 ( 2.784 -2.827 0.165) 3.971 8.070 ( -6.407 1.983 2.381) 7.117 8.424 ( 4.918 -2.418 1.653) 5.724 8.446 ( -3.534 4.266 -0.404) 5.555 8.566 ( -4.993 -4.455 -1.984) 6.980 9.006 ( 2.990 -4.306 6.358) 8.241 9.141 ( 1.890 -2.426 -4.632) 5.560 9.308 ( -4.859 8.331 1.615) 9.779 9.772 ( -11.596 15.996 -4.077) 20.173 10.121 ( 7.555 -8.563 5.424) 12.643 10.487 ( 9.170 2.177 -1.856) 9.606 10.656 ( -5.244 1.527 -3.427) 6.448 10.767 ( -3.172 2.804 -3.218) 5.318 11.092 ( 7.016 -0.011 2.426) 7.423 11.310 ( 4.002 -9.205 7.134) 12.314 11.359 ( 1.053 6.730 0.604) 6.839 11.565 ( -0.078 -4.505 -3.573) 5.751 11.920 ( 0.222 11.075 7.066) 13.139 11.981 ( -4.733 8.478 -3.374) 10.279 12.125 ( -8.624 -1.026 -0.791) 8.721 12.212 ( 5.994 -3.730 -3.150) 7.730 12.542 ( 2.278 2.178 5.604) 6.430 12.699 ( -1.154 1.550 -5.936) 6.243 13.036 ( 8.122 -1.953 -6.404) 10.526 13.231 ( -2.258 -3.151 -0.310) 3.889 13.362 ( -0.183 -2.854 -6.710) 7.295 13.633 ( 0.891 -9.610 1.286) 9.736 14.040 ( 0.985 -6.458 -5.670) 8.650 14.156 ( -0.190 -8.608 1.528) 8.745 14.588 ( 6.371 -1.062 0.458) 6.475 14.931 ( 2.831 -10.013 -1.877) 10.573 15.763 ( 8.454 16.690 -0.300) 18.712 16.544 ( -3.638 12.795 4.988) 14.207 17.154 ( -9.196 28.518 -4.771) 30.342 17.348 ( 5.528 16.853 -1.581) 17.806 17.711 ( -1.999 8.091 6.101) 10.328 18.045 ( -9.906 8.543 10.197) 16.585 18.614 ( 3.412 -1.756 -6.860) 7.861 18.743 ( -10.080 15.261 7.174) 19.646 18.895 ( -13.184 -1.919 -13.358) 18.866 20.046 ( -3.003 9.818 -1.427) 10.366 20.465 ( 3.058 -8.416 -1.542) 9.086 20.921 ( -2.122 -15.729 2.173) 16.020 23.306 ( -6.747 39.016 -23.014) 45.798 25.139 ( -3.779 -16.922 -10.229) 20.132 25.669 ( -5.586 -4.093 20.836) 21.956 25.757 ( 3.585 -3.713 14.599) 15.485 27.893 ( 1.844 2.351 4.667) 5.541 28.373 ( 0.615 -6.500 1.496) 6.698 ======================= Grid point 25 (16/128) ======================= q-point: ( 0.30 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 19.792 3.530 4.917) 20.697 2.030 ( 6.569 9.348 2.771) 11.757 2.102 ( 13.965 5.761 -4.003) 15.628 2.388 ( -0.517 0.568 2.507) 2.622 2.509 ( -4.230 4.304 -3.073) 6.772 2.631 ( -4.070 0.678 -1.146) 4.282 2.905 ( -0.981 2.513 -3.786) 4.649 2.970 ( 1.209 6.087 -1.825) 6.469 3.154 ( 0.957 43.279 3.918) 43.467 3.248 ( 9.702 7.351 1.286) 12.240 3.421 ( -7.233 7.077 5.010) 11.292 3.535 ( -5.269 4.725 5.508) 8.968 3.615 ( -5.835 7.989 8.982) 13.362 3.718 ( -4.199 21.071 -5.362) 22.144 4.065 ( -2.198 23.425 2.437) 23.654 4.378 ( 1.461 2.876 2.414) 4.029 4.708 ( -2.127 -2.603 0.977) 3.501 4.967 ( 5.339 0.363 -8.750) 10.256 5.074 ( -3.248 1.866 14.599) 15.071 5.272 ( 6.865 -8.167 -3.870) 11.349 5.693 ( -3.269 -7.353 -0.689) 8.076 5.802 ( -5.265 -7.319 1.318) 9.112 5.983 ( 5.326 0.796 -8.625) 10.169 6.090 ( -0.686 0.145 -5.685) 5.728 6.179 ( 3.582 -1.536 -4.808) 6.190 6.282 ( -1.268 -4.728 1.048) 5.006 7.022 ( 9.442 17.707 -1.004) 20.092 7.440 ( 4.553 -2.699 1.201) 5.428 7.747 ( 0.417 -6.612 4.763) 8.160 7.916 ( 3.245 1.693 0.834) 3.754 7.978 ( -2.809 6.021 1.025) 6.722 8.368 ( -3.882 -2.645 0.850) 4.774 8.507 ( 2.418 -4.916 -0.733) 5.527 8.621 ( 9.804 0.752 -1.960) 10.026 9.045 ( 0.229 1.731 1.408) 2.243 9.169 ( 1.548 -3.387 -0.909) 3.833 9.227 ( -2.587 12.154 0.785) 12.452 9.566 ( -8.949 18.047 -1.947) 20.238 10.213 ( 2.200 -10.756 3.535) 11.534 10.469 ( -10.282 -0.926 -3.441) 10.882 10.581 ( 1.016 5.748 -2.919) 6.526 10.778 ( 2.150 -0.544 -3.865) 4.456 11.248 ( -4.549 -8.489 0.907) 9.674 11.259 ( 5.401 6.362 1.791) 8.536 11.431 ( 2.991 1.806 1.249) 3.711 11.660 ( 8.096 1.673 0.981) 8.325 11.874 ( -5.231 12.123 -3.055) 13.552 11.925 ( 0.233 8.827 3.857) 9.636 12.012 ( -1.923 0.447 1.397) 2.419 12.313 ( 2.795 -4.536 1.283) 5.480 12.580 ( 1.812 -0.170 4.854) 5.184 12.695 ( 1.424 3.279 -8.005) 8.767 13.034 ( -5.830 -3.340 0.022) 6.719 13.222 ( 2.454 -3.831 -6.179) 7.673 13.379 ( 0.416 -6.842 -2.170) 7.190 13.629 ( -1.450 -10.144 2.056) 10.452 14.025 ( -1.026 -2.713 -3.716) 4.714 14.232 ( 6.362 -8.048 -4.114) 11.053 14.734 ( 7.178 -6.191 -0.428) 9.489 14.976 ( 3.354 -8.976 -0.490) 9.594 15.934 ( 8.993 14.605 -0.112) 17.153 16.534 ( 1.485 23.865 3.507) 24.167 16.950 ( -10.168 28.286 0.870) 30.071 17.468 ( 6.476 6.819 2.064) 9.628 17.702 ( 0.054 10.475 -0.294) 10.479 17.916 ( -4.203 11.748 8.627) 15.169 18.497 ( -11.701 15.803 6.519) 20.716 18.657 ( -9.304 4.470 -9.585) 14.086 18.725 ( 3.615 -6.311 -6.769) 9.935 19.934 ( -7.447 13.342 0.378) 15.285 20.522 ( 2.790 -9.792 -0.908) 10.222 20.868 ( -3.456 -16.553 1.523) 16.978 23.309 ( 5.627 30.313 -8.476) 31.975 25.091 ( -0.720 -17.665 -6.732) 18.918 25.483 ( -12.587 2.739 8.452) 15.407 25.810 ( 1.526 -3.735 4.162) 5.797 27.918 ( 0.142 1.471 6.164) 6.339 28.378 ( -0.362 -6.113 1.644) 6.341 ======================= Grid point 26 (17/128) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -0.516 4.512 -0.328) 4.553 2.144 ( 2.038 2.066 -4.130) 5.048 2.348 ( 8.080 7.006 4.013) 11.422 2.463 ( -0.691 5.260 2.626) 5.920 2.494 ( 10.541 5.987 -4.303) 12.863 2.600 ( 2.069 -0.772 1.303) 2.564 2.824 ( -5.372 -0.664 -2.831) 6.109 2.962 ( -0.202 6.757 -1.062) 6.843 3.158 ( 0.098 41.311 1.213) 41.329 3.262 ( -4.376 10.248 -2.657) 11.456 3.369 ( -3.104 10.177 5.148) 11.820 3.433 ( -6.038 6.800 19.103) 21.157 3.478 ( -6.101 2.942 -12.514) 14.229 3.884 ( 12.675 22.996 -0.469) 26.262 4.064 ( 5.459 18.560 0.908) 19.367 4.411 ( 1.331 4.216 2.929) 5.303 4.619 ( -7.367 -3.103 0.724) 8.026 5.017 ( -1.897 0.861 -0.887) 2.264 5.067 ( 3.225 -0.672 3.982) 5.168 5.380 ( 4.657 -9.950 -2.930) 11.369 5.618 ( -4.037 -7.455 3.118) 9.033 5.718 ( -2.967 -5.901 -0.561) 6.628 6.018 ( -1.615 0.792 -5.332) 5.628 6.074 ( 1.017 2.381 -3.257) 4.160 6.229 ( 1.320 -0.641 -0.663) 1.610 6.278 ( 0.706 -8.087 -0.762) 8.154 7.218 ( 10.399 14.932 -2.550) 18.374 7.483 ( -0.594 3.550 1.566) 3.925 7.732 ( -1.676 -5.136 4.311) 6.912 7.923 ( -1.669 9.467 1.484) 9.727 7.990 ( 2.405 -4.945 -0.037) 5.499 8.320 ( -1.075 1.992 -0.357) 2.291 8.570 ( 3.664 -2.714 -0.869) 4.642 8.772 ( 3.644 -6.265 -0.919) 7.305 9.064 ( 3.376 8.955 -2.580) 9.911 9.190 ( -0.967 12.425 0.624) 12.478 9.221 ( 2.915 -0.107 -0.411) 2.946 9.428 ( -5.440 18.600 2.862) 19.589 10.196 ( -4.414 -10.033 -3.042) 11.375 10.334 ( -2.249 -8.276 1.533) 8.712 10.560 ( -1.979 7.593 -2.381) 8.200 10.802 ( 0.550 -4.337 -2.858) 5.223 11.167 ( -2.654 -5.328 0.048) 5.953 11.279 ( -2.125 12.461 1.144) 12.692 11.483 ( 1.181 -2.420 1.694) 3.181 11.797 ( -1.306 10.601 -3.530) 11.250 11.819 ( 6.287 7.799 0.272) 10.021 11.981 ( 3.586 1.196 1.095) 3.936 12.010 ( 2.281 10.718 3.458) 11.490 12.295 ( -4.440 2.039 3.047) 5.758 12.627 ( 1.830 -7.165 1.589) 7.564 12.741 ( 3.917 2.310 -5.351) 7.022 12.920 ( -5.358 -4.404 0.798) 6.982 13.252 ( 0.857 -8.454 -4.751) 9.735 13.365 ( -1.121 -6.900 0.504) 7.008 13.605 ( -0.871 -10.516 1.509) 10.659 14.009 ( -0.423 1.792 -2.849) 3.392 14.338 ( 4.216 -6.919 -3.550) 8.846 14.816 ( 1.684 -7.930 -0.566) 8.127 15.079 ( 5.704 -13.143 0.732) 14.346 16.127 ( 11.100 16.430 -0.536) 19.835 16.536 ( -3.418 22.912 2.238) 23.273 16.802 ( -4.437 38.574 2.009) 38.880 17.573 ( 3.301 -2.054 5.208) 6.499 17.703 ( 0.130 11.853 -3.344) 12.316 17.907 ( 3.239 13.225 3.268) 14.003 18.268 ( -11.593 15.491 3.340) 19.635 18.526 ( -3.846 6.562 -4.252) 8.714 18.779 ( 2.095 -7.027 -3.777) 8.249 19.794 ( -6.152 15.534 0.663) 16.721 20.570 ( 2.181 -8.701 0.154) 8.971 20.797 ( -3.473 -19.331 0.093) 19.640 23.431 ( 5.960 24.715 -1.667) 25.478 25.083 ( -0.110 -17.085 -3.083) 17.362 25.267 ( -8.625 7.645 0.772) 11.551 25.832 ( 0.690 -5.633 1.051) 5.771 27.915 ( -0.599 1.463 4.021) 4.321 28.366 ( -0.785 -5.705 1.039) 5.851 ======================= Grid point 27 (18/128) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.000 2.876 -0.000) 2.876 2.200 ( 0.000 1.360 0.000) 1.360 2.394 ( -0.000 10.982 -0.000) 10.982 2.447 ( 0.000 3.327 -0.000) 3.327 2.635 ( 0.000 -1.711 -0.000) 1.711 2.685 ( -0.000 6.309 -0.000) 6.309 2.735 ( 0.000 -2.012 -0.000) 2.012 2.952 ( 0.000 7.809 -0.000) 7.809 3.165 ( 0.000 40.480 0.000) 40.480 3.221 ( 0.000 15.519 0.000) 15.519 3.319 ( 0.000 11.990 -0.000) 11.990 3.365 ( 0.000 1.668 -0.000) 1.668 3.412 ( 0.000 6.623 0.000) 6.623 3.955 ( 0.000 28.108 -0.000) 28.108 4.270 ( -0.000 5.188 0.000) 5.188 4.435 ( -0.000 2.391 -0.000) 2.391 4.457 ( 0.000 2.963 0.000) 2.963 4.991 ( 0.000 2.551 -0.000) 2.551 5.106 ( 0.000 -3.620 0.000) 3.620 5.432 ( 0.000 -11.377 -0.000) 11.377 5.571 ( -0.000 -6.596 0.000) 6.596 5.689 ( 0.000 -5.538 -0.000) 5.538 5.990 ( 0.000 1.993 0.000) 1.993 6.085 ( 0.000 1.125 -0.000) 1.125 6.239 ( 0.000 -0.168 0.000) 0.168 6.288 ( 0.000 -8.461 0.000) 8.461 7.373 ( 0.000 6.178 0.000) 6.178 7.429 ( 0.000 14.039 0.000) 14.039 7.715 ( 0.000 -4.205 0.000) 4.205 7.904 ( 0.000 8.484 -0.000) 8.484 8.016 ( 0.000 -7.727 0.000) 7.727 8.312 ( 0.000 5.870 0.000) 5.870 8.614 ( 0.000 -2.874 0.000) 2.874 8.789 ( -0.000 -4.726 -0.000) 4.726 9.112 ( 0.000 -4.392 -0.000) 4.392 9.176 ( 0.000 22.323 0.000) 22.323 9.284 ( 0.000 2.223 -0.000) 2.223 9.355 ( -0.000 21.076 0.000) 21.076 10.132 ( 0.000 -10.116 0.000) 10.116 10.324 ( 0.000 -12.901 0.000) 12.901 10.534 ( 0.000 9.502 0.000) 9.502 10.805 ( 0.000 -5.647 -0.000) 5.647 11.144 ( 0.000 -6.784 -0.000) 6.784 11.249 ( 0.000 16.388 0.000) 16.388 11.490 ( 0.000 -2.894 -0.000) 2.894 11.778 ( 0.000 11.254 0.000) 11.254 11.897 ( 0.000 10.022 0.000) 10.022 11.982 ( 0.000 1.628 -0.000) 1.628 12.122 ( 0.000 11.619 -0.000) 11.619 12.197 ( 0.000 3.640 0.000) 3.640 12.642 ( 0.000 -9.915 0.000) 9.915 12.817 ( -0.000 8.462 0.000) 8.462 12.834 ( 0.000 -12.138 -0.000) 12.138 13.256 ( 0.000 -10.885 -0.000) 10.885 13.354 ( 0.000 -6.559 0.000) 6.559 13.598 ( 0.000 -10.791 -0.000) 10.791 14.003 ( 0.000 3.779 -0.000) 3.779 14.378 ( 0.000 -6.386 0.000) 6.386 14.828 ( 0.000 -7.577 -0.000) 7.577 15.140 ( 0.000 -15.908 -0.000) 15.908 16.301 ( 0.000 12.327 -0.000) 12.327 16.438 ( -0.000 24.843 -0.000) 24.843 16.767 ( 0.000 45.737 0.000) 45.737 17.607 ( 0.000 -5.017 0.000) 5.017 17.698 ( 0.000 14.209 -0.000) 14.209 18.006 ( -0.000 5.935 0.000) 5.935 18.098 ( 0.000 21.841 0.000) 21.841 18.489 ( 0.000 5.732 0.000) 5.732 18.798 ( 0.000 -7.244 -0.000) 7.244 19.729 ( 0.000 16.652 0.000) 16.652 20.596 ( 0.000 -6.049 0.000) 6.049 20.757 ( 0.000 -22.648 0.000) 22.648 23.495 ( 0.000 22.876 -0.000) 22.876 25.076 ( 0.000 -14.376 0.000) 14.376 25.184 ( 0.000 7.025 0.000) 7.025 25.840 ( 0.000 -6.568 0.000) 6.568 27.910 ( 0.000 1.559 -0.000) 1.559 28.357 ( 0.000 -5.531 0.000) 5.531 ======================= Grid point 33 (19/128) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 16.345 0.000) 16.345 1.425 ( 0.000 22.386 0.000) 22.386 1.517 ( 0.000 -11.594 0.000) 11.594 1.839 ( 0.000 -20.201 0.000) 20.201 2.777 ( 0.000 8.865 0.000) 8.865 2.832 ( 0.000 0.109 0.000) 0.109 2.915 ( 0.000 10.073 0.000) 10.073 3.108 ( 0.000 -8.391 0.000) 8.391 3.490 ( 0.000 7.170 0.000) 7.170 3.570 ( 0.000 -2.567 0.000) 2.567 3.919 ( 0.000 29.584 0.000) 29.584 4.060 ( 0.000 22.977 0.000) 22.977 4.269 ( 0.000 -6.890 0.000) 6.890 4.363 ( 0.000 -4.626 0.000) 4.626 4.460 ( 0.000 4.125 0.000) 4.125 4.526 ( 0.000 1.314 0.000) 1.314 4.659 ( 0.000 1.092 0.000) 1.092 4.770 ( 0.000 -10.230 0.000) 10.230 4.849 ( 0.000 31.708 0.000) 31.708 5.252 ( 0.000 -0.732 0.000) 0.732 5.441 ( 0.000 -10.883 0.000) 10.883 5.505 ( 0.000 -19.623 0.000) 19.623 5.810 ( 0.000 0.400 0.000) 0.400 5.814 ( 0.000 -2.175 0.000) 2.175 6.337 ( 0.000 2.923 0.000) 2.923 6.354 ( 0.000 2.871 0.000) 2.871 6.904 ( 0.000 4.414 0.000) 4.414 6.985 ( 0.000 -0.352 0.000) 0.352 7.611 ( 0.000 -1.338 0.000) 1.338 7.650 ( 0.000 -5.573 0.000) 5.573 8.145 ( 0.000 -1.559 0.000) 1.559 8.214 ( 0.000 -9.265 0.000) 9.265 8.776 ( 0.000 6.285 0.000) 6.285 8.854 ( 0.000 -0.658 0.000) 0.658 9.048 ( 0.000 2.085 0.000) 2.085 9.115 ( 0.000 -6.471 0.000) 6.471 9.252 ( 0.000 0.062 0.000) 0.062 9.321 ( 0.000 -6.328 0.000) 6.328 10.144 ( 0.000 3.376 0.000) 3.376 10.207 ( 0.000 -4.482 0.000) 4.482 10.785 ( 0.000 -0.136 0.000) 0.136 10.825 ( 0.000 4.426 0.000) 4.426 10.888 ( 0.000 7.175 0.000) 7.175 11.220 ( 0.000 -16.185 0.000) 16.185 11.608 ( 0.000 7.783 0.000) 7.783 11.693 ( 0.000 1.853 0.000) 1.853 11.918 ( 0.000 5.973 0.000) 5.973 11.955 ( 0.000 0.697 0.000) 0.697 12.197 ( 0.000 -1.705 0.000) 1.705 12.264 ( 0.000 -10.471 0.000) 10.471 12.625 ( 0.000 10.472 0.000) 10.472 12.730 ( 0.000 -1.521 0.000) 1.521 12.907 ( 0.000 19.382 0.000) 19.382 13.218 ( 0.000 -7.031 0.000) 7.031 13.329 ( 0.000 -2.098 0.000) 2.098 13.446 ( 0.000 -9.696 0.000) 9.696 13.965 ( 0.000 2.405 0.000) 2.405 14.073 ( 0.000 -7.801 0.000) 7.801 14.534 ( 0.000 2.594 0.000) 2.594 14.623 ( 0.000 -6.314 0.000) 6.314 16.013 ( 0.000 20.956 0.000) 20.956 16.392 ( 0.000 -18.267 0.000) 18.267 17.642 ( 0.000 12.494 0.000) 12.494 17.749 ( 0.000 3.156 0.000) 3.156 18.025 ( 0.000 23.065 0.000) 23.065 18.361 ( 0.000 -10.374 0.000) 10.374 18.529 ( 0.000 12.176 0.000) 12.176 18.820 ( 0.000 -16.578 0.000) 16.578 19.775 ( 0.000 17.271 0.000) 17.271 19.972 ( 0.000 2.789 0.000) 2.789 20.265 ( 0.000 1.789 0.000) 1.789 20.575 ( 0.000 -22.320 0.000) 22.320 24.904 ( 0.000 11.411 0.000) 11.411 24.954 ( 0.000 9.063 0.000) 9.063 25.287 ( 0.000 -8.890 0.000) 8.890 25.308 ( 0.000 -8.706 0.000) 8.706 27.979 ( 0.000 9.171 0.000) 9.171 28.177 ( 0.000 -10.381 0.000) 10.381 ======================= Grid point 34 (20/128) ======================= q-point: ( 0.10 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 13.021 12.767 7.275) 19.633 1.545 ( 11.511 5.077 0.602) 12.596 1.678 ( 14.474 3.545 4.836) 15.667 1.959 ( 10.685 -16.696 3.582) 20.144 2.780 ( -0.099 5.027 -1.507) 5.249 2.805 ( -2.859 0.582 -2.656) 3.946 2.909 ( 0.233 10.277 -1.795) 10.435 3.063 ( -3.912 -4.801 -4.392) 7.593 3.454 ( -3.420 4.951 7.154) 9.348 3.508 ( -5.151 -0.973 0.357) 5.254 3.907 ( -1.710 27.624 2.555) 27.795 3.984 ( -7.303 14.433 7.385) 17.782 4.102 ( -15.202 -2.323 15.581) 21.892 4.309 ( -1.350 -4.910 0.323) 5.102 4.399 ( -4.223 11.345 -3.488) 12.598 4.643 ( 3.084 13.245 -6.178) 14.937 4.725 ( 6.165 -10.489 -10.160) 15.851 4.772 ( 2.256 -6.435 -3.014) 7.456 4.879 ( 3.061 25.173 -1.114) 25.383 5.253 ( -0.554 0.494 6.647) 6.688 5.466 ( 2.121 -11.535 3.449) 12.225 5.550 ( 2.762 -22.030 2.590) 22.353 5.816 ( 2.163 1.445 -3.494) 4.356 5.849 ( 3.366 -1.335 -5.119) 6.271 6.301 ( -2.185 4.791 -4.179) 6.723 6.350 ( -1.142 0.193 -1.838) 2.173 6.960 ( 6.008 7.924 -2.015) 10.147 7.079 ( 8.018 -2.807 -3.550) 9.207 7.626 ( 1.479 -0.581 1.693) 2.322 7.675 ( 2.728 -5.479 -0.303) 6.128 8.144 ( -0.375 -0.356 3.704) 3.740 8.221 ( 0.902 -8.554 2.719) 9.021 8.666 ( -10.146 4.735 3.004) 11.592 8.758 ( -14.903 -0.854 -0.400) 14.932 8.890 ( 2.301 2.381 0.494) 3.348 9.017 ( -1.517 -7.988 -2.969) 8.656 9.432 ( 8.838 7.198 2.031) 11.578 9.622 ( 14.738 -11.789 5.296) 19.603 10.185 ( 2.715 5.861 -7.174) 9.653 10.258 ( 7.096 -2.823 -4.023) 8.632 10.802 ( 2.460 4.108 -0.777) 4.851 10.838 ( -1.996 12.615 2.193) 12.959 10.908 ( 5.750 -7.568 2.845) 9.921 11.143 ( -7.103 -14.049 0.813) 15.764 11.574 ( -8.273 6.218 0.010) 10.349 11.586 ( -2.121 4.450 -1.197) 5.073 11.968 ( 4.138 -1.419 -2.312) 4.948 11.983 ( 1.493 -1.472 0.075) 2.097 12.157 ( -1.144 6.184 4.302) 7.619 12.358 ( 4.310 -11.024 6.372) 13.443 12.554 ( -5.448 12.927 0.958) 14.061 12.719 ( -1.062 -3.333 -2.036) 4.048 12.975 ( 6.089 15.003 -8.095) 18.103 13.212 ( -0.799 -4.853 -3.239) 5.889 13.354 ( 1.905 -2.155 -6.675) 7.269 13.440 ( -0.011 -8.524 -0.578) 8.543 13.943 ( -1.402 1.032 0.232) 1.756 14.039 ( -3.052 -7.787 2.131) 8.631 14.553 ( 2.187 4.032 0.554) 4.620 14.670 ( 3.935 -7.829 -0.778) 8.797 16.031 ( 1.990 19.838 -0.179) 19.939 16.391 ( 0.097 -17.139 0.669) 17.153 17.616 ( -2.901 10.944 3.740) 11.924 17.701 ( -4.969 2.744 3.878) 6.874 18.039 ( 1.475 23.732 0.647) 23.787 18.361 ( -1.668 -6.590 -0.185) 6.800 18.482 ( -2.249 9.520 -4.188) 10.641 18.767 ( -5.202 -15.815 -1.458) 16.712 19.598 ( -12.072 27.135 2.210) 29.781 20.025 ( 1.267 -11.362 0.379) 11.438 20.323 ( 4.488 5.151 -1.930) 7.099 20.592 ( 1.113 -19.080 0.617) 19.123 24.402 ( -23.238 30.150 -29.938) 48.428 24.905 ( -12.162 -21.698 -18.240) 30.845 25.484 ( 14.521 0.681 30.294) 33.601 25.542 ( 9.821 -4.428 17.557) 20.598 27.986 ( 0.717 9.225 0.271) 9.257 28.186 ( 0.754 -10.467 0.677) 10.516 ======================= Grid point 35 (21/128) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 18.697 7.285 5.357) 20.769 1.820 ( 15.241 -2.900 0.762) 15.533 1.991 ( 15.156 9.083 5.914) 18.632 2.182 ( 10.067 -9.940 6.971) 15.772 2.708 ( -6.342 2.254 -6.181) 9.138 2.739 ( -3.886 -0.563 -6.087) 7.244 2.951 ( 2.747 5.034 -3.612) 6.777 2.994 ( -1.372 1.021 -2.911) 3.376 3.372 ( -4.168 5.944 6.213) 9.555 3.448 ( -1.224 -1.793 11.762) 11.960 3.781 ( -10.272 4.279 3.833) 11.769 3.817 ( -13.904 -0.062 11.179) 17.841 3.910 ( -0.952 26.609 2.018) 26.703 4.270 ( -3.072 2.293 3.366) 5.101 4.338 ( -1.333 12.028 -4.025) 12.754 4.612 ( -3.287 7.049 -0.701) 7.809 4.784 ( 0.121 9.770 -0.371) 9.777 4.871 ( 6.090 -1.817 -12.236) 13.788 4.967 ( 5.948 4.714 -5.693) 9.487 5.234 ( -2.025 1.830 11.141) 11.470 5.502 ( 0.629 -12.192 3.838) 12.797 5.564 ( -1.661 -20.991 4.652) 21.564 5.897 ( 5.910 2.048 -5.950) 8.633 5.940 ( 6.084 -2.352 -6.106) 8.935 6.260 ( -1.612 4.947 -5.265) 7.402 6.312 ( -2.374 -0.446 -1.928) 3.091 7.106 ( 8.422 9.487 -5.101) 13.673 7.236 ( 7.866 -4.244 -4.546) 10.028 7.669 ( 2.533 1.517 3.293) 4.423 7.757 ( 5.137 -6.088 0.385) 7.975 8.137 ( -0.370 4.494 5.914) 7.437 8.263 ( 2.690 -8.835 4.977) 10.492 8.482 ( -7.125 3.310 1.897) 8.082 8.563 ( -4.690 -2.543 -1.842) 5.644 8.954 ( 3.665 0.703 1.042) 3.874 9.033 ( 2.089 -6.345 -2.711) 7.210 9.526 ( 1.693 12.613 2.874) 13.047 9.775 ( 2.027 -12.123 3.493) 12.778 10.190 ( -2.218 12.061 -7.532) 14.391 10.391 ( 2.706 -8.637 -9.161) 12.878 10.776 ( -2.584 8.796 0.406) 9.177 10.873 ( -1.015 5.323 -0.887) 5.491 11.038 ( 5.002 -5.571 2.099) 7.776 11.121 ( 11.324 -9.150 5.935) 15.722 11.458 ( -2.268 5.334 -0.565) 5.823 11.544 ( -1.209 -1.277 -1.555) 2.347 11.993 ( 0.200 0.043 -2.245) 2.254 12.060 ( 4.743 -5.702 -0.501) 7.434 12.160 ( 0.343 12.795 8.203) 15.203 12.322 ( -7.410 3.175 3.104) 8.638 12.529 ( 2.126 2.861 5.553) 6.598 12.690 ( -1.656 -6.027 -1.947) 6.546 13.069 ( 2.916 5.937 -7.570) 10.053 13.179 ( -1.836 -3.374 -6.424) 7.485 13.355 ( -1.216 2.163 -5.748) 6.261 13.454 ( 0.539 -7.968 -1.675) 8.160 13.949 ( 2.378 -1.760 -3.168) 4.335 13.999 ( 0.394 -6.465 0.776) 6.523 14.614 ( 3.801 4.181 0.281) 5.657 14.743 ( 3.207 -8.684 -0.403) 9.266 16.098 ( 5.099 17.351 -0.259) 18.086 16.415 ( 2.816 -14.733 0.613) 15.012 17.524 ( -7.430 9.115 9.375) 15.039 17.595 ( -5.103 1.992 6.646) 8.613 18.079 ( 2.376 23.236 -1.618) 23.413 18.272 ( -5.341 10.183 2.128) 11.694 18.498 ( 3.030 -6.153 -8.495) 10.919 18.630 ( -8.197 -12.630 -2.612) 15.282 19.393 ( -9.010 36.966 1.859) 38.094 20.022 ( -1.157 -21.174 1.106) 21.235 20.371 ( 0.184 6.013 -2.003) 6.340 20.596 ( -1.110 -15.496 1.505) 15.608 24.063 ( -9.333 37.412 -18.764) 42.882 24.704 ( -6.301 -28.134 -14.026) 32.062 25.639 ( -0.007 0.895 16.664) 16.688 25.686 ( 3.463 -3.445 12.886) 13.781 28.004 ( 0.841 8.808 2.415) 9.171 28.202 ( 0.675 -10.546 1.746) 10.711 ======================= Grid point 36 (22/128) ======================= q-point: ( 0.30 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 14.198 1.761 1.398) 14.375 2.074 ( 9.299 0.190 -1.134) 9.370 2.242 ( 10.529 6.001 5.775) 13.425 2.342 ( 7.113 -4.313 6.285) 10.426 2.598 ( -2.906 4.469 -6.440) 8.359 2.653 ( -3.355 -0.483 -7.069) 7.840 2.922 ( -3.985 1.946 -1.585) 4.709 2.979 ( -2.880 -2.840 -2.162) 4.587 3.379 ( 2.625 5.759 11.767) 13.361 3.451 ( -0.445 -1.223 17.722) 17.770 3.585 ( -7.503 3.225 -4.587) 9.367 3.625 ( -6.975 -1.159 -3.238) 7.777 3.911 ( 0.859 27.435 2.233) 27.540 4.204 ( -3.319 10.202 5.030) 11.849 4.348 ( 2.506 3.660 -2.038) 4.881 4.546 ( -3.396 2.257 0.560) 4.116 4.760 ( -1.992 21.804 2.706) 22.062 4.965 ( 4.779 0.353 -12.083) 12.998 5.064 ( 3.675 -2.781 -5.578) 7.236 5.207 ( -1.087 -1.731 10.095) 10.300 5.488 ( -2.275 -12.608 4.624) 13.621 5.516 ( -3.247 -15.382 4.342) 16.310 6.002 ( 4.650 1.436 -5.613) 7.429 6.043 ( 4.310 -2.936 -4.360) 6.798 6.227 ( -1.329 3.845 -4.561) 6.111 6.263 ( -2.220 -0.102 -0.478) 2.273 7.259 ( 7.739 7.959 -6.281) 12.755 7.370 ( 6.390 -4.368 -3.431) 8.467 7.714 ( 1.379 3.384 4.144) 5.525 7.837 ( 2.312 -7.486 1.837) 8.047 8.143 ( -0.338 8.847 4.274) 9.831 8.285 ( -0.668 -5.681 3.476) 6.694 8.464 ( 5.000 2.009 -0.271) 5.395 8.561 ( 4.046 -6.113 -1.002) 7.398 9.019 ( 2.813 0.489 1.018) 3.031 9.080 ( 3.070 -4.838 0.660) 5.768 9.550 ( 1.380 15.783 0.366) 15.848 9.769 ( -2.036 -2.852 -2.577) 4.350 10.104 ( -5.102 5.001 -1.719) 7.348 10.303 ( -9.042 -11.309 -7.877) 16.483 10.741 ( -1.485 4.480 -0.497) 4.746 10.791 ( -4.179 0.739 -0.480) 4.271 11.153 ( 1.428 3.208 -0.227) 3.519 11.314 ( 5.709 -7.547 0.305) 9.468 11.496 ( 5.840 8.715 1.054) 10.544 11.639 ( 11.741 -4.263 1.099) 12.540 12.001 ( 1.111 5.670 -1.052) 5.872 12.133 ( 1.032 2.012 1.658) 2.804 12.167 ( -0.416 4.042 1.332) 4.276 12.195 ( -2.683 6.657 4.597) 8.523 12.563 ( 0.014 -1.423 8.140) 8.263 12.651 ( -2.381 -8.443 -0.101) 8.773 13.046 ( -3.668 5.099 -3.816) 7.349 13.149 ( -1.175 -4.241 -10.222) 11.129 13.317 ( -1.921 1.549 -1.365) 2.820 13.432 ( -2.193 -9.206 0.084) 9.464 14.010 ( 4.289 1.267 -3.889) 5.927 14.085 ( 6.945 -6.341 -5.131) 10.713 14.689 ( 3.478 1.891 0.261) 3.967 14.795 ( 2.485 -8.386 0.409) 8.756 16.229 ( 8.267 15.296 -0.071) 17.387 16.502 ( 5.515 -11.998 0.307) 13.208 17.388 ( -5.961 11.768 9.881) 16.482 17.524 ( -2.925 -2.987 7.992) 9.019 18.113 ( 1.010 21.327 -2.162) 21.460 18.200 ( -2.157 14.032 0.544) 14.207 18.466 ( -7.999 -7.295 -1.727) 10.963 18.550 ( 2.615 -11.218 -6.686) 13.318 19.244 ( -6.610 43.811 0.838) 44.315 19.984 ( -2.834 -22.502 0.853) 22.695 20.345 ( -1.927 3.265 -1.684) 4.149 20.551 ( -3.468 -14.059 1.767) 14.588 23.977 ( 0.403 36.462 -8.745) 37.498 24.633 ( -0.722 -29.622 -7.920) 30.671 25.575 ( -6.202 6.399 6.203) 10.858 25.707 ( -1.224 -6.583 5.013) 8.364 28.015 ( -0.104 8.360 3.658) 9.126 28.210 ( -0.158 -10.534 2.292) 10.782 ======================= Grid point 37 (23/128) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -0.438 1.292 -1.398) 1.954 2.177 ( 1.993 0.193 0.179) 2.011 2.440 ( 7.598 3.598 3.066) 8.949 2.505 ( 7.129 -2.992 0.410) 7.742 2.577 ( -0.196 5.151 -3.728) 6.361 2.635 ( 2.376 0.566 -3.270) 4.081 2.830 ( -3.426 3.597 1.514) 5.193 2.933 ( -0.695 -5.276 1.525) 5.536 3.378 ( -3.406 2.625 11.185) 11.983 3.399 ( -4.428 1.114 1.445) 4.789 3.519 ( -2.396 3.624 -2.451) 4.988 3.547 ( -0.664 1.479 -3.599) 3.947 3.941 ( 1.230 27.541 1.439) 27.605 4.196 ( 2.951 4.969 4.148) 7.114 4.413 ( 3.430 -0.304 -1.879) 3.923 4.481 ( -3.483 0.107 1.653) 3.857 4.724 ( -1.782 29.353 2.108) 29.482 5.030 ( 2.649 1.885 -8.830) 9.410 5.092 ( 0.186 -0.539 1.574) 1.674 5.226 ( 1.967 -8.529 0.468) 8.766 5.438 ( -2.733 -13.671 4.785) 14.739 5.456 ( -3.011 -11.053 3.234) 11.904 6.047 ( 0.390 2.122 -3.930) 4.483 6.089 ( 0.952 -1.751 -2.258) 3.012 6.212 ( 0.191 1.664 -1.959) 2.577 6.237 ( -0.324 -0.335 0.115) 0.480 7.392 ( 6.145 5.408 -5.109) 9.649 7.473 ( 4.072 -3.178 -1.578) 5.401 7.723 ( -0.570 3.826 3.371) 5.131 7.849 ( -0.708 -8.173 2.019) 8.448 8.118 ( -1.764 9.861 1.590) 10.143 8.285 ( 0.179 -6.606 1.135) 6.705 8.596 ( 7.063 3.867 -0.301) 8.058 8.667 ( 5.311 -4.251 -0.555) 6.825 9.066 ( 1.900 2.346 1.617) 3.425 9.159 ( 4.589 -5.142 2.547) 7.347 9.575 ( 0.493 16.608 -3.403) 16.961 9.711 ( -2.494 7.268 -2.378) 8.044 10.008 ( -5.326 -5.575 -1.720) 7.900 10.121 ( -6.834 -11.833 -1.329) 13.729 10.702 ( -2.209 3.515 -1.005) 4.272 10.733 ( -1.801 -1.892 -0.801) 2.732 11.141 ( -1.218 5.813 -0.566) 5.966 11.336 ( -0.723 -11.079 -0.879) 11.137 11.637 ( 5.144 18.840 2.085) 19.640 11.868 ( 9.846 -3.270 -0.625) 10.393 12.017 ( -0.525 9.589 -1.671) 9.747 12.112 ( 1.481 10.977 1.273) 11.150 12.187 ( 0.188 -0.149 3.608) 3.616 12.234 ( 5.051 -1.942 -0.765) 5.465 12.526 ( -4.883 -3.397 7.728) 9.752 12.598 ( -2.818 -11.652 1.431) 12.073 12.978 ( -2.246 6.579 -2.513) 7.392 13.100 ( -2.546 -6.400 -7.033) 9.843 13.287 ( -0.928 0.483 -0.092) 1.050 13.398 ( -1.135 -9.724 0.197) 9.792 14.086 ( 3.176 5.306 -3.177) 6.952 14.202 ( 4.763 -6.699 -4.158) 9.211 14.739 ( 1.635 0.706 0.344) 1.814 14.846 ( 2.400 -9.738 0.749) 10.058 16.400 ( 8.508 12.334 0.138) 14.984 16.588 ( 2.232 -6.118 0.424) 6.526 17.336 ( -0.318 12.333 5.940) 13.693 17.497 ( -0.472 -5.871 4.964) 7.703 18.118 ( -0.016 13.018 -0.849) 13.045 18.176 ( -0.745 17.637 -0.666) 17.665 18.327 ( -6.004 -0.531 0.069) 6.028 18.584 ( 1.363 -13.574 -3.551) 14.097 19.138 ( -4.050 48.218 -0.157) 48.388 19.923 ( -2.996 -18.509 0.433) 18.755 20.316 ( -0.648 -3.857 -1.216) 4.095 20.479 ( -3.521 -12.133 1.194) 12.689 24.013 ( 2.652 33.474 -2.655) 33.683 24.635 ( 0.878 -28.837 -3.150) 29.022 25.458 ( -5.141 11.416 0.737) 12.542 25.676 ( -1.668 -10.279 0.954) 10.457 28.010 ( -0.532 8.221 2.593) 8.637 28.203 ( -0.573 -10.424 1.589) 10.560 ======================= Grid point 38 (24/128) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.000 3.258 -0.000) 3.258 2.196 ( 0.000 -1.565 0.000) 1.565 2.497 ( 0.000 3.578 -0.000) 3.578 2.571 ( 0.000 -3.944 0.000) 3.944 2.574 ( 0.000 6.242 -0.000) 6.242 2.670 ( 0.000 -4.041 -0.000) 4.041 2.823 ( -0.000 7.140 -0.000) 7.140 2.938 ( 0.000 -4.372 -0.000) 4.372 3.338 ( 0.000 0.649 0.000) 0.649 3.343 ( -0.000 0.094 -0.000) 0.094 3.502 ( 0.000 6.816 0.000) 6.816 3.525 ( 0.000 3.711 -0.000) 3.711 3.949 ( 0.000 28.265 0.000) 28.265 4.264 ( -0.000 -5.201 -0.000) 5.201 4.423 ( 0.000 3.966 0.000) 3.966 4.456 ( 0.000 -2.244 -0.000) 2.244 4.705 ( 0.000 33.012 0.000) 33.012 5.052 ( 0.000 3.953 -0.000) 3.953 5.094 ( 0.000 -0.584 0.000) 0.584 5.251 ( 0.000 -10.500 -0.000) 10.500 5.411 ( 0.000 -16.449 -0.000) 16.449 5.422 ( 0.000 -7.778 0.000) 7.778 6.042 ( 0.000 3.129 -0.000) 3.129 6.094 ( 0.000 -1.618 -0.000) 1.618 6.216 ( 0.000 0.756 -0.000) 0.756 6.238 ( 0.000 -0.517 0.000) 0.517 7.461 ( 0.000 3.425 0.000) 3.425 7.511 ( 0.000 -1.336 -0.000) 1.336 7.715 ( 0.000 3.717 0.000) 3.717 7.838 ( 0.000 -8.302 0.000) 8.302 8.099 ( 0.000 9.900 -0.000) 9.900 8.287 ( 0.000 -8.368 0.000) 8.368 8.676 ( 0.000 4.949 0.000) 4.949 8.723 ( 0.000 -1.881 -0.000) 1.881 9.088 ( 0.000 4.534 -0.000) 4.534 9.218 ( 0.000 -5.600 0.000) 5.600 9.566 ( 0.000 14.783 0.000) 14.783 9.693 ( 0.000 9.761 0.000) 9.761 9.928 ( 0.000 -6.895 0.000) 6.895 10.066 ( 0.000 -13.239 0.000) 13.239 10.677 ( 0.000 3.365 0.000) 3.365 10.715 ( 0.000 -2.754 -0.000) 2.754 11.127 ( 0.000 6.437 0.000) 6.437 11.326 ( 0.000 -11.184 -0.000) 11.184 11.681 ( 0.000 22.807 0.000) 22.807 11.975 ( 0.000 -4.926 -0.000) 4.926 12.003 ( 0.000 11.141 0.000) 11.141 12.139 ( -0.000 13.810 0.000) 13.810 12.188 ( 0.000 -5.691 -0.000) 5.691 12.344 ( 0.000 10.678 -0.000) 10.678 12.421 ( 0.000 -13.117 0.000) 13.117 12.566 ( 0.000 -14.061 0.000) 14.061 12.959 ( 0.000 5.920 -0.000) 5.920 13.067 ( 0.000 -6.800 0.000) 6.800 13.279 ( 0.000 0.341 0.000) 0.341 13.387 ( 0.000 -9.741 -0.000) 9.741 14.116 ( 0.000 6.776 -0.000) 6.776 14.248 ( 0.000 -6.828 0.000) 6.828 14.755 ( 0.000 0.840 -0.000) 0.840 14.872 ( 0.000 -10.839 -0.000) 10.839 16.505 ( 0.000 8.195 -0.000) 8.195 16.592 ( 0.000 -0.030 -0.000) 0.030 17.346 ( 0.000 11.979 0.000) 11.979 17.500 ( 0.000 -6.139 -0.000) 6.139 18.120 ( -0.000 5.811 -0.000) 5.811 18.166 ( 0.000 16.866 0.000) 16.866 18.259 ( 0.000 6.889 0.000) 6.889 18.596 ( 0.000 -14.230 -0.000) 14.230 19.097 ( 0.000 49.728 -0.000) 49.728 19.891 ( 0.000 -16.111 0.000) 16.111 20.313 ( 0.000 -8.705 0.000) 8.705 20.440 ( 0.000 -9.966 0.000) 9.966 24.042 ( 0.000 32.005 0.000) 32.005 24.645 ( 0.000 -28.135 0.000) 28.135 25.405 ( 0.000 13.368 0.000) 13.368 25.659 ( 0.000 -11.902 0.000) 11.902 28.005 ( 0.000 8.188 -0.000) 8.188 28.197 ( 0.000 -10.341 0.000) 10.341 ======================= Grid point 77 (25/128) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 3.690 0.000 22.024) 22.331 0.517 ( -14.127 0.000 25.601) 29.240 0.987 ( 17.034 0.000 47.915) 50.853 1.087 ( -0.542 0.000 0.691) 0.878 1.961 ( 2.876 0.000 7.533) 8.063 2.195 ( -1.203 0.000 -6.091) 6.208 2.375 ( 4.571 0.000 -12.654) 13.454 2.745 ( -1.239 0.000 -1.882) 2.253 3.079 ( -9.203 0.000 -19.811) 21.844 3.118 ( 0.853 0.000 -2.156) 2.318 3.379 ( 2.395 0.000 -2.270) 3.300 3.528 ( 11.268 0.000 -1.616) 11.383 3.798 ( -3.979 0.000 -1.566) 4.276 4.084 ( 3.525 0.000 -3.058) 4.667 4.232 ( -16.101 0.000 0.404) 16.106 4.264 ( -0.271 0.000 -11.828) 11.831 4.440 ( 10.571 0.000 3.301) 11.075 4.615 ( -4.045 0.000 5.570) 6.884 4.678 ( -17.856 0.000 2.006) 17.969 5.065 ( 6.351 0.000 -3.872) 7.439 5.441 ( 5.619 0.000 -12.628) 13.822 5.579 ( -0.784 0.000 3.518) 3.605 6.055 ( -1.201 0.000 -8.040) 8.129 6.188 ( -3.028 0.000 17.521) 17.781 6.419 ( 3.270 0.000 7.271) 7.973 6.826 ( 0.301 0.000 4.243) 4.254 6.883 ( -3.659 0.000 -0.024) 3.659 6.962 ( 3.802 0.000 2.076) 4.332 7.771 ( 2.448 0.000 1.305) 2.774 8.064 ( -20.108 0.000 -4.421) 20.588 8.255 ( -8.163 0.000 2.065) 8.420 8.318 ( 3.257 0.000 -16.622) 16.938 8.567 ( 1.708 0.000 2.864) 3.335 8.736 ( -0.354 0.000 -0.877) 0.946 9.073 ( -4.717 0.000 13.260) 14.074 9.128 ( 9.044 0.000 -5.039) 10.353 9.497 ( -6.032 0.000 -4.013) 7.245 9.770 ( -1.181 0.000 -1.866) 2.208 9.883 ( 56.288 0.000 9.649) 57.109 10.141 ( 6.378 0.000 10.382) 12.185 10.772 ( 2.893 0.000 -3.145) 4.274 10.796 ( -30.589 0.000 -2.964) 30.732 10.978 ( 2.564 0.000 2.669) 3.701 11.010 ( -12.231 0.000 -0.550) 12.244 11.298 ( 2.925 0.000 3.122) 4.278 11.334 ( -1.434 0.000 -3.468) 3.753 11.795 ( -8.771 0.000 -3.913) 9.604 11.826 ( 5.388 0.000 4.737) 7.174 12.000 ( 4.650 0.000 -3.204) 5.647 12.173 ( -1.442 0.000 0.229) 1.460 12.768 ( -3.620 0.000 5.766) 6.809 12.777 ( 12.052 0.000 -3.520) 12.556 12.941 ( -10.319 0.000 -1.024) 10.370 13.274 ( 2.956 0.000 -1.273) 3.218 13.961 ( 2.872 0.000 -1.412) 3.200 14.123 ( -2.236 0.000 8.322) 8.617 14.225 ( 0.199 0.000 1.690) 1.701 14.402 ( 0.592 0.000 -0.961) 1.129 14.456 ( 10.240 0.000 3.045) 10.683 14.899 ( 1.241 0.000 -4.070) 4.255 15.132 ( -0.544 0.000 -0.801) 0.968 15.881 ( -44.748 0.000 2.306) 44.807 16.579 ( 2.991 0.000 -4.911) 5.750 17.618 ( 3.547 0.000 -1.334) 3.790 17.786 ( 3.812 0.000 -7.914) 8.784 18.050 (-120.963 0.000 -0.768) 120.965 18.273 ( 1.120 0.000 0.399) 1.189 18.653 ( -6.553 0.000 6.744) 9.403 19.404 ( -4.430 0.000 -1.033) 4.549 19.745 ( 12.989 0.000 -5.335) 14.042 20.506 ( -0.252 0.000 0.235) 0.345 20.709 ( -1.667 0.000 6.469) 6.680 21.321 ( 0.755 0.000 1.183) 1.403 25.438 ( -5.069 0.000 -9.460) 10.733 25.721 ( 3.255 0.000 3.174) 4.547 26.996 ( 115.202 0.000 -0.703) 115.204 27.807 ( 1.323 0.000 0.752) 1.522 28.487 ( 0.763 0.000 2.791) 2.894 ======================= Grid point 78 (26/128) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 26.683 0.000 -4.066) 26.991 0.697 ( 11.914 0.000 14.921) 19.094 1.111 ( 3.912 0.000 0.500) 3.944 1.645 ( 35.389 0.000 38.384) 52.208 2.019 ( 1.804 0.000 5.957) 6.224 2.178 ( 0.077 0.000 -5.382) 5.382 2.454 ( 3.829 0.000 -9.676) 10.406 2.732 ( -0.801 0.000 -4.981) 5.045 2.844 ( -11.518 0.000 -16.110) 19.804 3.101 ( -2.346 0.000 -1.074) 2.580 3.414 ( 0.264 0.000 0.041) 0.267 3.589 ( -10.766 0.000 -2.181) 10.985 3.663 ( -1.138 0.000 0.520) 1.251 4.120 ( -4.958 0.000 -3.059) 5.826 4.126 ( 5.748 0.000 1.715) 5.998 4.302 ( -6.742 0.000 1.130) 6.836 4.390 ( 8.507 0.000 -14.412) 16.736 4.556 ( -3.914 0.000 15.933) 16.407 4.784 ( 17.202 0.000 -1.248) 17.247 5.045 ( -1.358 0.000 -14.629) 14.692 5.552 ( 6.422 0.000 -10.447) 12.263 5.709 ( 8.146 0.000 1.690) 8.319 6.035 ( -0.281 0.000 -6.260) 6.266 6.124 ( -5.149 0.000 18.078) 18.797 6.449 ( -1.016 0.000 5.771) 5.860 6.734 ( -7.506 0.000 5.564) 9.343 6.914 ( -19.835 0.000 18.598) 27.191 6.923 ( 7.610 0.000 -2.614) 8.046 7.455 ( -8.512 0.000 12.666) 15.261 7.765 ( -3.316 0.000 4.034) 5.222 8.183 ( -4.321 0.000 1.751) 4.663 8.388 ( 5.423 0.000 -17.390) 18.216 8.580 ( 0.952 0.000 5.037) 5.126 8.739 ( 0.947 0.000 -1.933) 2.152 8.985 ( -5.710 0.000 12.744) 13.965 9.044 ( -8.326 0.000 -3.245) 8.936 9.479 ( -0.882 0.000 4.022) 4.117 9.608 ( -11.385 0.000 0.537) 11.398 10.266 ( -8.653 0.000 7.165) 11.235 10.368 ( 11.527 0.000 12.687) 17.141 10.693 ( 8.056 0.000 -15.629) 17.583 10.781 ( -2.994 0.000 3.303) 4.458 11.003 ( 10.875 0.000 -10.411) 15.055 11.047 ( 4.324 0.000 4.113) 5.967 11.361 ( 3.809 0.000 -3.465) 5.149 11.491 ( 11.883 0.000 -9.748) 15.370 11.656 ( -3.508 0.000 -12.809) 13.281 11.838 ( -3.737 0.000 2.212) 4.343 11.990 ( -4.905 0.000 -0.386) 4.920 12.192 ( 2.633 0.000 -1.848) 3.217 12.690 ( -5.147 0.000 2.520) 5.731 12.740 ( -10.584 0.000 -4.258) 11.408 13.141 ( 19.718 0.000 -9.762) 22.002 13.301 ( 0.343 0.000 2.544) 2.567 13.843 ( -14.774 0.000 2.228) 14.941 14.163 ( 5.682 0.000 5.733) 8.071 14.182 ( -5.003 0.000 0.436) 5.022 14.340 ( -11.667 0.000 8.087) 14.196 14.554 ( -33.080 0.000 37.342) 49.887 14.886 ( 24.452 0.000 -9.053) 26.074 14.947 ( 3.991 0.000 -3.280) 5.166 15.116 ( -0.213 0.000 -0.126) 0.247 16.614 ( 0.738 0.000 -1.605) 1.766 17.093 ( 0.035 0.000 1.889) 1.889 17.664 ( 1.462 0.000 1.839) 2.349 17.855 ( 2.567 0.000 -6.014) 6.539 18.261 ( -1.916 0.000 0.485) 1.977 18.546 ( -4.202 0.000 2.467) 4.873 19.351 ( -11.790 0.000 4.744) 12.708 19.972 ( 2.036 0.000 11.733) 11.908 20.539 ( 3.381 0.000 0.369) 3.401 21.261 ( 42.889 0.000 -18.048) 46.532 21.309 ( -2.074 0.000 1.173) 2.383 25.345 ( -3.452 0.000 -8.257) 8.950 25.780 ( 2.585 0.000 1.510) 2.994 27.024 ( -40.251 0.000 -12.210) 42.062 28.341 ( 9.240 0.000 4.721) 10.377 28.503 ( 0.439 0.000 2.914) 2.947 ======================= Grid point 79 (27/128) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 3.154 0.000 5.982) 6.762 1.158 ( 33.311 0.000 -21.658) 39.733 1.288 ( 13.834 0.000 1.555) 13.921 2.030 ( -0.774 0.000 1.127) 1.367 2.191 ( 1.470 0.000 -2.712) 3.085 2.338 ( 31.284 0.000 26.270) 40.851 2.492 ( 0.888 0.000 -6.134) 6.198 2.523 ( -12.969 0.000 -13.618) 18.805 2.815 ( 4.140 0.000 -3.955) 5.726 3.035 ( -4.200 0.000 -0.262) 4.208 3.291 ( -17.651 0.000 -6.396) 18.774 3.317 ( -11.110 0.000 -4.671) 12.051 3.594 ( -6.036 0.000 -0.660) 6.072 3.924 ( -7.463 0.000 6.948) 10.197 4.248 ( 4.957 0.000 -2.202) 5.424 4.361 ( -9.978 0.000 15.681) 18.586 4.408 ( 11.342 0.000 -14.356) 18.296 4.630 ( 7.356 0.000 -1.595) 7.527 5.122 ( 16.042 0.000 3.987) 16.530 5.132 ( 12.003 0.000 -20.665) 23.898 5.656 ( 4.617 0.000 -6.132) 7.676 5.801 ( 1.029 0.000 2.216) 2.443 6.019 ( -1.515 0.000 -2.834) 3.213 6.036 ( -4.120 0.000 16.223) 16.738 6.408 ( -2.585 0.000 3.278) 4.175 6.495 ( -14.889 0.000 19.551) 24.575 6.651 ( -5.449 0.000 6.399) 8.405 7.147 ( 14.830 0.000 -4.760) 15.575 7.561 ( 8.740 0.000 -4.733) 9.939 7.660 ( -7.523 0.000 4.109) 8.572 8.118 ( -1.318 0.000 4.743) 4.922 8.480 ( 4.508 0.000 -11.473) 12.327 8.579 ( -2.979 0.000 1.433) 3.306 8.767 ( -0.194 0.000 -0.075) 0.208 8.870 ( -6.512 0.000 8.414) 10.640 8.887 ( -3.769 0.000 1.437) 4.033 9.404 ( -9.095 0.000 2.464) 9.423 9.453 ( -1.709 0.000 4.274) 4.603 10.295 ( 7.516 0.000 -1.323) 7.631 10.500 ( 0.080 0.000 14.719) 14.719 10.623 ( -8.360 0.000 -9.980) 13.019 10.719 ( -2.157 0.000 -0.547) 2.225 11.156 ( 2.938 0.000 -2.956) 4.168 11.191 ( 10.658 0.000 4.416) 11.537 11.430 ( 2.635 0.000 -2.667) 3.749 11.634 ( 2.847 0.000 -7.302) 7.837 11.671 ( 6.670 0.000 -23.869) 24.784 11.734 ( -5.995 0.000 -1.917) 6.295 11.903 ( -3.044 0.000 7.167) 7.787 12.208 ( -1.793 0.000 -7.582) 7.791 12.562 ( -8.253 0.000 1.243) 8.346 12.584 ( -2.460 0.000 -2.766) 3.702 13.323 ( 2.198 0.000 5.962) 6.354 13.333 ( -2.912 0.000 2.820) 4.053 13.570 ( -4.297 0.000 -0.220) 4.303 14.039 ( -6.080 0.000 5.006) 7.876 14.215 ( -2.132 0.000 3.862) 4.411 14.337 ( 11.082 0.000 3.528) 11.630 14.388 ( -2.376 0.000 4.468) 5.061 15.039 ( -0.775 0.000 -5.184) 5.241 15.052 ( 7.346 0.000 -2.680) 7.819 15.376 ( 18.069 0.000 -5.340) 18.841 16.595 ( -2.948 0.000 1.789) 3.448 17.277 ( 15.657 0.000 -9.025) 18.071 17.685 ( 0.418 0.000 3.233) 3.259 17.837 ( -3.980 0.000 1.405) 4.221 18.201 ( -5.055 0.000 4.669) 6.881 18.527 ( 3.031 0.000 -8.799) 9.306 19.031 ( -19.986 0.000 9.995) 22.346 19.942 ( -4.949 0.000 14.818) 15.622 20.622 ( 4.551 0.000 0.738) 4.611 21.251 ( -3.615 0.000 0.349) 3.632 22.037 ( 36.474 0.000 -9.660) 37.731 25.297 ( -0.743 0.000 -6.003) 6.049 25.826 ( 2.208 0.000 0.248) 2.222 26.177 ( -42.048 0.000 -9.789) 43.172 28.345 ( -4.964 0.000 14.047) 14.898 28.504 ( -0.674 0.000 2.368) 2.462 ======================= Grid point 80 (28/128) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 1.162 0.000 1.059) 1.572 1.581 ( 14.813 0.000 0.351) 14.817 1.734 ( 26.880 0.000 -23.934) 35.992 2.014 ( 0.153 0.000 -4.073) 4.075 2.220 ( 1.557 0.000 -2.131) 2.639 2.249 ( -10.036 0.000 -12.384) 15.940 2.486 ( -1.152 0.000 -0.774) 1.388 2.817 ( 5.818 0.000 3.253) 6.666 2.929 ( -14.767 0.000 -6.953) 16.322 2.929 ( -8.239 0.000 -0.671) 8.266 3.050 ( 23.642 0.000 9.764) 25.579 3.053 ( -10.976 0.000 -13.119) 17.105 3.465 ( -6.219 0.000 -1.114) 6.318 3.851 ( -2.711 0.000 11.849) 12.156 4.118 ( -13.859 0.000 11.650) 18.106 4.347 ( 3.985 0.000 5.750) 6.996 4.617 ( 9.890 0.000 -21.495) 23.661 4.713 ( 1.115 0.000 -2.335) 2.588 5.349 ( 5.484 0.000 14.224) 15.244 5.376 ( 11.682 0.000 -15.007) 19.018 5.711 ( 1.746 0.000 -0.241) 1.763 5.796 ( 0.179 0.000 0.750) 0.771 5.962 ( -3.728 0.000 -1.238) 3.928 6.071 ( 8.062 0.000 7.947) 11.320 6.292 ( -8.183 0.000 11.021) 13.727 6.393 ( 0.419 0.000 1.187) 1.258 6.576 ( -3.062 0.000 4.291) 5.272 7.407 ( 2.836 0.000 -0.221) 2.845 7.529 ( 2.368 0.000 -3.305) 4.065 7.678 ( 3.852 0.000 -5.190) 6.463 8.160 ( 4.429 0.000 4.604) 6.389 8.464 ( -7.575 0.000 -3.891) 8.516 8.489 ( -4.308 0.000 2.296) 4.882 8.668 ( -6.413 0.000 2.772) 6.987 8.812 ( 1.927 0.000 -1.550) 2.473 8.975 ( 7.644 0.000 6.735) 10.188 9.253 ( -7.321 0.000 3.819) 8.257 9.426 ( -1.464 0.000 3.247) 3.562 10.435 ( -8.016 0.000 -12.845) 15.141 10.444 ( -5.432 0.000 12.706) 13.819 10.470 ( 8.343 0.000 -2.832) 8.810 10.700 ( 0.658 0.000 -3.017) 3.088 11.141 ( -2.959 0.000 0.496) 3.000 11.418 ( 10.249 0.000 1.555) 10.366 11.457 ( 1.407 0.000 -4.934) 5.130 11.583 ( -6.161 0.000 -0.722) 6.203 11.637 ( -3.849 0.000 -0.936) 3.961 11.846 ( 12.733 0.000 -24.890) 27.958 11.886 ( -0.729 0.000 8.437) 8.468 12.137 ( -3.055 0.000 -5.474) 6.268 12.380 ( -10.287 0.000 0.553) 10.302 12.631 ( 5.377 0.000 -6.931) 8.773 13.190 ( -7.056 0.000 1.952) 7.321 13.398 ( 4.391 0.000 8.005) 9.130 13.587 ( 1.175 0.000 0.389) 1.238 13.932 ( -5.686 0.000 -1.633) 5.916 14.180 ( -1.661 0.000 6.350) 6.563 14.391 ( 2.189 0.000 -0.551) 2.257 14.556 ( 9.790 0.000 2.398) 10.079 15.036 ( 1.441 0.000 -5.726) 5.905 15.251 ( 14.023 0.000 -1.714) 14.127 15.623 ( 8.014 0.000 -2.957) 8.542 16.494 ( -7.872 0.000 4.028) 8.842 17.628 ( 20.325 0.000 -8.262) 21.940 17.670 ( -3.273 0.000 6.751) 7.503 17.757 ( -2.448 0.000 0.320) 2.469 18.065 ( -9.213 0.000 8.543) 12.564 18.627 ( 7.110 0.000 -13.131) 14.932 18.642 ( -20.151 0.000 11.510) 23.206 19.820 ( -8.654 0.000 14.756) 17.107 20.694 ( 2.294 0.000 0.713) 2.402 21.188 ( -2.396 0.000 -0.662) 2.486 22.635 ( 25.184 0.000 -0.755) 25.195 25.303 ( 1.642 0.000 -3.156) 3.557 25.454 ( -30.266 0.000 -12.556) 32.767 25.869 ( 2.279 0.000 -0.557) 2.346 28.226 ( -7.872 0.000 9.710) 12.500 28.479 ( -1.933 0.000 1.383) 2.377 ======================= Grid point 81 (29/128) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 3.016 0.000 -1.655) 3.440 1.816 ( 8.122 0.000 0.319) 8.129 1.999 ( 0.350 0.000 -17.075) 17.079 2.066 ( 6.393 0.000 -8.957) 11.005 2.245 ( 1.185 0.000 -2.655) 2.907 2.272 ( 15.320 0.000 -10.192) 18.401 2.448 ( -2.436 0.000 1.093) 2.670 2.631 ( -12.906 0.000 -11.151) 17.056 2.705 ( -10.727 0.000 -14.767) 18.252 2.840 ( -0.618 0.000 -0.789) 1.002 2.942 ( -2.476 0.000 -2.380) 3.434 3.349 ( -3.775 0.000 1.575) 4.090 3.578 ( 22.688 0.000 4.447) 23.120 3.804 ( -3.479 0.000 14.030) 14.455 3.861 ( -12.372 0.000 7.801) 14.626 4.441 ( 5.627 0.000 6.257) 8.415 4.652 ( -7.799 0.000 0.338) 7.807 4.695 ( -0.347 0.000 -22.761) 22.763 5.413 ( 2.003 0.000 16.075) 16.199 5.502 ( 3.220 0.000 -7.995) 8.619 5.740 ( 0.940 0.000 4.028) 4.136 5.845 ( 3.379 0.000 -1.381) 3.651 5.903 ( -1.475 0.000 -1.444) 2.065 6.165 ( -5.180 0.000 5.931) 7.875 6.320 ( 14.438 0.000 2.496) 14.652 6.410 ( 0.364 0.000 2.633) 2.658 6.544 ( -0.088 0.000 2.168) 2.170 7.228 ( -11.942 0.000 4.267) 12.681 7.732 ( 2.597 0.000 -1.454) 2.976 7.753 ( 11.864 0.000 -9.396) 15.134 8.234 ( 0.450 0.000 -4.051) 4.076 8.344 ( -2.007 0.000 1.650) 2.598 8.374 ( -5.769 0.000 6.372) 8.595 8.555 ( -5.525 0.000 3.643) 6.618 8.902 ( 4.534 0.000 1.510) 4.779 9.112 ( 4.590 0.000 5.769) 7.372 9.120 ( -5.528 0.000 1.949) 5.862 9.397 ( -1.815 0.000 3.512) 3.953 10.297 ( -3.368 0.000 -13.051) 13.479 10.350 ( -4.812 0.000 8.812) 10.040 10.584 ( 2.004 0.000 -1.940) 2.789 10.769 ( 6.882 0.000 -4.467) 8.205 11.092 ( -0.973 0.000 0.331) 1.028 11.454 ( 0.704 0.000 -5.393) 5.439 11.474 ( -4.653 0.000 0.545) 4.685 11.556 ( -4.080 0.000 0.757) 4.150 11.602 ( 7.238 0.000 -1.056) 7.315 11.846 ( -4.500 0.000 8.312) 9.451 12.066 ( 6.882 0.000 -27.960) 28.795 12.110 ( 0.339 0.000 -2.149) 2.176 12.200 ( -3.605 0.000 3.926) 5.331 12.726 ( 4.677 0.000 -7.509) 8.846 13.098 ( -2.678 0.000 -3.340) 4.281 13.487 ( 3.544 0.000 9.676) 10.305 13.583 ( -1.351 0.000 3.047) 3.333 13.819 ( -5.209 0.000 -5.351) 7.468 14.178 ( 0.770 0.000 8.564) 8.599 14.450 ( 3.595 0.000 -1.187) 3.786 14.691 ( 4.067 0.000 1.490) 4.331 15.088 ( 4.224 0.000 -5.681) 7.080 15.578 ( 17.859 0.000 -0.220) 17.860 15.705 ( 1.358 0.000 -2.853) 3.160 16.301 ( -11.824 0.000 4.312) 12.586 17.593 ( -3.964 0.000 7.055) 8.093 17.743 ( -0.028 0.000 -0.142) 0.145 17.877 ( -10.278 0.000 7.807) 12.907 17.998 ( 14.266 0.000 2.403) 14.467 18.314 ( -10.985 0.000 3.292) 11.467 18.752 ( 6.436 0.000 -10.911) 12.667 19.651 ( -9.346 0.000 15.553) 18.145 20.707 ( -0.631 0.000 -0.211) 0.666 21.165 ( -0.066 0.000 -0.896) 0.898 22.997 ( 11.623 0.000 2.033) 11.800 25.013 ( -13.545 0.000 -11.948) 18.061 25.346 ( 2.657 0.000 -0.418) 2.689 25.909 ( 1.624 0.000 -1.009) 1.912 28.073 ( -7.958 0.000 4.026) 8.918 28.439 ( -2.087 0.000 0.336) 2.114 ======================= Grid point 82 (30/128) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 2.252 0.000 -1.291) 2.596 1.886 ( -1.101 0.000 -1.955) 2.244 1.997 ( 1.496 0.000 -9.486) 9.603 2.183 ( 3.501 0.000 -1.654) 3.872 2.256 ( -0.110 0.000 -1.013) 1.019 2.391 ( -9.565 0.000 -15.438) 18.161 2.464 ( 7.232 0.000 -11.636) 13.701 2.525 ( 7.688 0.000 -13.034) 15.132 2.547 ( -3.986 0.000 -16.327) 16.806 2.859 ( 3.612 0.000 0.564) 3.656 2.894 ( -3.195 0.000 2.995) 4.379 3.298 ( 0.103 0.000 6.301) 6.302 3.638 ( -8.956 0.000 -0.721) 8.985 3.749 ( -2.915 0.000 15.065) 15.344 3.950 ( 12.418 0.000 1.250) 12.481 4.402 ( -17.947 0.000 5.552) 18.786 4.598 ( 10.014 0.000 5.688) 11.516 4.604 ( -5.422 0.000 -22.610) 23.251 5.460 ( 0.228 0.000 11.555) 11.558 5.549 ( 3.035 0.000 -8.043) 8.596 5.763 ( 1.685 0.000 6.426) 6.643 5.833 ( -4.502 0.000 1.967) 4.913 5.916 ( 2.626 0.000 -0.127) 2.629 6.143 ( 2.256 0.000 1.575) 2.751 6.400 ( -1.436 0.000 3.604) 3.880 6.500 ( -0.099 0.000 0.668) 0.676 6.579 ( 2.897 0.000 2.366) 3.741 7.082 ( -0.027 0.000 5.277) 5.277 7.782 ( 2.532 0.000 1.031) 2.733 7.908 ( 5.229 0.000 -9.751) 11.065 8.171 ( -3.855 0.000 -7.441) 8.380 8.310 ( -2.290 0.000 6.873) 7.244 8.383 ( 2.438 0.000 2.484) 3.480 8.473 ( -1.992 0.000 4.086) 4.546 8.868 ( -6.106 0.000 5.582) 8.273 9.122 ( -4.178 0.000 2.143) 4.696 9.143 ( 6.106 0.000 0.411) 6.120 9.367 ( -1.549 0.000 3.124) 3.487 10.275 ( -3.613 0.000 5.442) 6.532 10.305 ( 4.708 0.000 -9.087) 10.235 10.578 ( -1.463 0.000 -4.057) 4.313 10.899 ( 5.653 0.000 1.138) 5.766 11.137 ( 5.819 0.000 -2.126) 6.195 11.399 ( -3.232 0.000 0.489) 3.269 11.488 ( 3.246 0.000 -2.172) 3.905 11.504 ( -0.932 0.000 -0.805) 1.231 11.688 ( 0.510 0.000 -3.562) 3.598 11.728 ( -8.064 0.000 7.398) 10.944 11.948 ( -6.714 0.000 -12.136) 13.869 12.132 ( 1.812 0.000 -0.130) 1.817 12.361 ( 11.189 0.000 -11.516) 16.056 12.798 ( 3.120 0.000 -5.529) 6.348 13.059 ( -1.274 0.000 -6.455) 6.579 13.537 ( 0.307 0.000 11.655) 11.659 13.561 ( -0.615 0.000 2.699) 2.769 13.740 ( -2.141 0.000 -5.152) 5.579 14.212 ( 1.606 0.000 7.369) 7.542 14.522 ( 3.678 0.000 1.208) 3.871 14.730 ( 0.085 0.000 1.193) 1.196 15.180 ( 5.352 0.000 -3.869) 6.604 15.693 ( -1.824 0.000 -4.082) 4.471 15.781 ( -3.971 0.000 -0.487) 4.001 16.152 ( 2.147 0.000 4.568) 5.047 17.533 ( -3.723 0.000 8.228) 9.031 17.717 ( -3.801 0.000 2.588) 4.599 17.748 ( -0.569 0.000 -0.574) 0.808 17.929 ( -12.583 0.000 9.841) 15.975 18.456 ( 15.864 0.000 -3.845) 16.324 18.848 ( 4.179 0.000 -7.270) 8.385 19.522 ( -4.294 0.000 17.102) 17.633 20.689 ( -0.746 0.000 -1.100) 1.329 21.169 ( 0.261 0.000 -0.696) 0.743 23.096 ( -0.569 0.000 0.901) 1.066 24.893 ( 0.743 0.000 -9.585) 9.614 25.399 ( 2.618 0.000 1.703) 3.123 25.919 ( -0.675 0.000 -1.460) 1.609 27.943 ( -5.260 0.000 -0.171) 5.262 28.409 ( -0.749 0.000 -0.381) 0.840 ======================= Grid point 83 (31/128) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -0.800 0.000 0.740) 1.089 1.753 ( -11.550 0.000 -1.330) 11.626 1.938 ( -12.760 0.000 -20.950) 24.530 2.207 ( -0.107 0.000 -5.315) 5.316 2.214 ( -1.486 0.000 -13.655) 13.735 2.256 ( 0.105 0.000 0.615) 0.624 2.485 ( -3.668 0.000 -1.229) 3.868 2.666 ( 9.812 0.000 -9.861) 13.911 2.681 ( 14.713 0.000 -20.934) 25.587 2.839 ( -0.909 0.000 1.001) 1.352 2.947 ( 4.257 0.000 0.840) 4.339 3.408 ( 8.969 0.000 9.173) 12.829 3.457 ( -10.658 0.000 -3.581) 11.244 3.739 ( 0.853 0.000 14.466) 14.492 3.989 ( -20.320 0.000 16.524) 26.191 4.123 ( 4.004 0.000 -3.961) 5.632 4.481 ( -4.931 0.000 -26.983) 27.430 4.791 ( 7.528 0.000 3.464) 8.287 5.409 ( -6.014 0.000 10.541) 12.135 5.586 ( 0.238 0.000 -13.880) 13.882 5.768 ( 0.191 0.000 5.817) 5.820 5.824 ( 2.975 0.000 6.850) 7.468 5.996 ( 5.344 0.000 1.552) 5.565 6.196 ( 1.924 0.000 3.096) 3.645 6.335 ( -12.766 0.000 3.824) 13.327 6.372 ( -1.549 0.000 2.611) 3.036 6.638 ( 2.400 0.000 5.367) 5.879 7.215 ( 9.589 0.000 2.568) 9.927 7.839 ( 3.683 0.000 2.375) 4.382 7.979 ( 3.353 0.000 -10.091) 10.633 8.080 ( -5.307 0.000 -6.210) 8.169 8.202 ( -10.743 0.000 9.975) 14.660 8.399 ( 0.618 0.000 -0.645) 0.893 8.530 ( 6.351 0.000 3.837) 7.420 8.829 ( 3.300 0.000 0.641) 3.361 8.978 ( -9.737 0.000 -0.043) 9.737 9.260 ( 5.012 0.000 4.333) 6.626 9.344 ( -1.015 0.000 1.568) 1.868 10.219 ( -2.418 0.000 3.326) 4.112 10.396 ( 2.919 0.000 -4.684) 5.518 10.550 ( -0.076 0.000 -6.171) 6.172 10.995 ( 4.165 0.000 4.837) 6.383 11.282 ( 7.697 0.000 0.665) 7.726 11.353 ( -1.220 0.000 -4.618) 4.777 11.502 ( -0.861 0.000 -0.911) 1.254 11.507 ( -7.010 0.000 -4.373) 8.262 11.589 ( -3.428 0.000 3.698) 5.042 11.630 ( 0.779 0.000 0.832) 1.140 11.907 ( 2.055 0.000 -11.647) 11.827 12.180 ( 3.360 0.000 1.157) 3.554 12.542 ( 8.309 0.000 -9.064) 12.296 12.807 ( -2.834 0.000 -6.550) 7.137 13.052 ( 1.992 0.000 -4.259) 4.701 13.509 ( -4.428 0.000 13.427) 14.138 13.593 ( 4.015 0.000 3.465) 5.304 13.726 ( 0.967 0.000 -4.341) 4.447 14.243 ( 1.052 0.000 4.822) 4.936 14.591 ( 2.968 0.000 4.139) 5.093 14.700 ( -3.356 0.000 1.799) 3.808 15.268 ( 3.175 0.000 0.416) 3.202 15.513 ( -17.626 0.000 -2.453) 17.796 15.649 ( -1.540 0.000 -5.775) 5.977 16.291 ( 6.681 0.000 5.148) 8.434 17.459 ( -3.401 0.000 4.669) 5.776 17.706 ( -10.343 0.000 -0.139) 10.344 17.732 ( 2.536 0.000 -0.393) 2.566 17.752 ( 2.796 0.000 -1.201) 3.043 18.741 ( 13.459 0.000 6.480) 14.938 18.899 ( 1.528 0.000 -3.639) 3.947 19.537 ( 4.203 0.000 17.399) 17.900 20.683 ( 0.073 0.000 -0.915) 0.918 21.169 ( -0.143 0.000 -0.767) 0.780 23.026 ( -5.676 0.000 3.209) 6.520 24.950 ( 4.218 0.000 -15.219) 15.793 25.449 ( 2.372 0.000 3.030) 3.849 25.877 ( -3.382 0.000 -2.340) 4.112 27.878 ( -1.407 0.000 -0.981) 1.715 28.410 ( 0.797 0.000 -0.500) 0.941 ======================= Grid point 84 (32/128) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -4.136 0.000 3.140) 5.193 1.471 ( -29.331 0.000 -28.298) 40.757 1.491 ( -14.173 0.000 -0.711) 14.191 2.157 ( -5.944 0.000 -3.648) 6.974 2.241 ( -1.231 0.000 1.560) 1.987 2.323 ( 10.246 0.000 -17.077) 19.915 2.385 ( -4.259 0.000 -5.460) 6.925 2.870 ( 8.457 0.000 -0.969) 8.512 2.895 ( 5.523 0.000 -1.844) 5.823 2.960 ( 14.730 0.000 -13.020) 19.659 3.014 ( 2.961 0.000 -4.279) 5.203 3.089 ( -26.086 0.000 6.534) 26.892 3.557 ( 2.363 0.000 3.653) 4.351 3.800 ( 3.799 0.000 12.083) 12.666 3.801 ( 5.024 0.000 12.691) 13.649 4.209 ( 4.767 0.000 -0.920) 4.855 4.361 ( -4.994 0.000 -29.050) 29.476 4.850 ( -1.411 0.000 2.804) 3.139 5.288 ( -6.110 0.000 8.684) 10.618 5.531 ( -4.216 0.000 -15.832) 16.384 5.798 ( -8.618 0.000 2.188) 8.892 5.852 ( 6.464 0.000 0.188) 6.467 6.106 ( 3.187 0.000 6.994) 7.686 6.161 ( -3.035 0.000 11.404) 11.801 6.215 ( 1.755 0.000 8.836) 9.008 6.352 ( -0.467 0.000 0.698) 0.840 6.671 ( 0.440 0.000 8.633) 8.644 7.385 ( 7.366 0.000 -0.994) 7.433 7.839 ( -18.225 0.000 5.419) 19.013 7.930 ( -0.629 0.000 -5.887) 5.921 7.980 ( 2.188 0.000 6.892) 7.231 8.127 ( 4.733 0.000 -6.347) 7.917 8.418 ( 1.101 0.000 -3.334) 3.511 8.696 ( 9.793 0.000 3.290) 10.331 8.784 ( -8.952 0.000 -1.281) 9.044 8.964 ( 9.040 0.000 1.516) 9.166 9.321 ( -1.725 0.000 -0.206) 1.737 9.338 ( 2.781 0.000 5.708) 6.350 10.190 ( -0.856 0.000 2.041) 2.213 10.378 ( -3.717 0.000 -6.789) 7.740 10.552 ( -0.355 0.000 -2.392) 2.418 11.032 ( -1.964 0.000 5.043) 5.412 11.289 ( -11.877 0.000 -3.720) 12.446 11.315 ( -1.754 0.000 1.412) 2.252 11.374 ( 2.552 0.000 -7.598) 8.015 11.557 ( 9.041 0.000 -3.007) 9.528 11.640 ( 5.413 0.000 2.368) 5.909 11.664 ( -0.969 0.000 2.586) 2.762 11.957 ( 3.759 0.000 -10.655) 11.298 12.272 ( 6.067 0.000 1.601) 6.275 12.677 ( -8.931 0.000 -8.829) 12.559 12.681 ( 6.934 0.000 -3.650) 7.836 13.133 ( 5.792 0.000 1.226) 5.920 13.390 ( -8.607 0.000 13.385) 15.914 13.673 ( 1.622 0.000 2.430) 2.922 13.802 ( 8.718 0.000 -2.002) 8.944 14.264 ( 0.917 0.000 2.927) 3.068 14.593 ( -8.089 0.000 3.904) 8.981 14.634 ( 0.797 0.000 5.996) 6.049 15.193 ( -13.686 0.000 -4.223) 14.323 15.273 ( -3.180 0.000 3.764) 4.927 15.660 ( 3.882 0.000 -4.279) 5.778 16.386 ( 3.385 0.000 1.857) 3.861 17.430 ( 0.206 0.000 -0.645) 0.677 17.550 ( -4.419 0.000 -8.347) 9.445 17.735 ( -0.193 0.000 -0.620) 0.649 17.894 ( 9.185 0.000 -1.576) 9.319 18.902 ( -1.085 0.000 -0.217) 1.107 19.018 ( 14.730 0.000 13.425) 19.930 19.688 ( 8.988 0.000 19.931) 21.864 20.675 ( -1.284 0.000 0.147) 1.292 21.174 ( 1.100 0.000 -1.022) 1.502 22.920 ( -4.988 0.000 11.981) 12.978 24.957 ( -3.270 0.000 -33.551) 33.710 25.498 ( 2.494 0.000 3.319) 4.152 25.792 ( -4.869 0.000 -3.565) 6.035 27.878 ( 0.953 0.000 2.300) 2.489 28.432 ( 1.264 0.000 0.012) 1.264 ======================= Grid point 85 (33/128) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -33.974 0.000 -27.934) 43.983 0.823 ( -10.442 0.000 6.657) 12.383 1.246 ( -9.813 0.000 0.228) 9.816 2.004 ( -7.364 0.000 4.776) 8.777 2.204 ( -32.971 0.000 11.536) 34.931 2.233 ( 0.194 0.000 -1.431) 1.444 2.330 ( -0.965 0.000 -17.117) 17.144 2.817 ( 11.152 0.000 -10.045) 15.009 2.891 ( -2.647 0.000 2.323) 3.522 3.001 ( 4.993 0.000 -2.154) 5.437 3.162 ( 8.083 0.000 -13.585) 15.808 3.199 ( 9.827 0.000 -3.943) 10.588 3.621 ( 5.396 0.000 1.177) 5.523 3.897 ( 5.376 0.000 6.835) 8.696 3.999 ( 10.323 0.000 6.793) 12.357 4.255 ( -2.738 0.000 -20.841) 21.020 4.320 ( 6.827 0.000 1.422) 6.973 4.796 ( -2.606 0.000 3.690) 4.518 5.203 ( -3.984 0.000 3.490) 5.296 5.362 ( -12.669 0.000 -19.161) 22.971 5.549 ( -13.931 0.000 -1.275) 13.989 5.940 ( -1.690 0.000 -4.049) 4.388 6.060 ( -2.281 0.000 5.244) 5.718 6.184 ( 1.727 0.000 14.974) 15.073 6.332 ( 0.349 0.000 2.036) 2.065 6.420 ( 14.056 0.000 19.592) 24.113 6.691 ( 1.507 0.000 9.974) 10.087 7.389 ( -15.482 0.000 1.778) 15.583 7.580 ( 1.667 0.000 0.924) 1.906 7.817 ( -5.227 0.000 1.587) 5.463 8.172 ( 11.183 0.000 9.908) 14.941 8.219 ( 4.565 0.000 -10.146) 11.125 8.425 ( 0.338 0.000 -3.660) 3.676 8.652 ( -3.720 0.000 -1.483) 4.005 8.886 ( 7.491 0.000 -1.161) 7.580 9.123 ( 5.015 0.000 7.503) 9.024 9.285 ( -0.746 0.000 -0.411) 0.851 9.412 ( 6.293 0.000 3.018) 6.980 10.182 ( -0.541 0.000 1.493) 1.588 10.212 ( -13.619 0.000 -7.445) 15.522 10.564 ( 2.983 0.000 -0.420) 3.013 10.973 ( -2.508 0.000 -0.435) 2.545 11.082 ( -8.701 0.000 -0.521) 8.716 11.273 ( -2.864 0.000 -3.055) 4.188 11.461 ( 6.466 0.000 -3.577) 7.389 11.575 ( -7.518 0.000 1.424) 7.651 11.737 ( 4.842 0.000 -2.904) 5.647 11.752 ( 7.997 0.000 1.505) 8.137 12.005 ( 0.935 0.000 -8.472) 8.524 12.388 ( 0.618 0.000 -2.817) 2.884 12.501 ( -3.078 0.000 -5.481) 6.286 12.802 ( 4.702 0.000 4.661) 6.621 13.234 ( -6.756 0.000 7.573) 10.148 13.235 ( 2.463 0.000 4.854) 5.443 13.683 ( 1.349 0.000 -2.574) 2.906 14.010 ( 10.688 0.000 3.455) 11.232 14.293 ( 2.072 0.000 1.259) 2.425 14.407 ( -10.723 0.000 6.649) 12.617 14.617 ( -3.687 0.000 6.791) 7.727 14.995 ( -6.584 0.000 -5.193) 8.386 15.184 ( -4.783 0.000 2.075) 5.214 15.794 ( 9.693 0.000 3.089) 10.174 16.449 ( 3.424 0.000 -3.419) 4.838 17.461 ( 3.039 0.000 -3.731) 4.812 17.576 ( 10.032 0.000 -11.106) 14.966 17.733 ( 0.154 0.000 -1.462) 1.470 18.070 ( 8.562 0.000 -1.005) 8.621 18.857 ( -3.567 0.000 3.070) 4.706 19.318 ( 13.955 0.000 9.652) 16.968 19.910 ( 11.467 0.000 29.462) 31.615 20.624 ( -3.863 0.000 0.779) 3.941 21.217 ( 3.199 0.000 -0.627) 3.259 22.890 ( 0.560 0.000 20.456) 20.463 24.689 ( -21.469 0.000 -53.418) 57.571 25.552 ( 2.554 0.000 1.128) 2.792 25.692 ( -4.812 0.000 -3.369) 5.874 27.901 ( 0.652 0.000 7.007) 7.037 28.454 ( 0.936 0.000 0.974) 1.351 ======================= Grid point 86 (34/128) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( -3.698 0.000 12.773) 13.297 0.585 ( -12.636 0.000 14.534) 19.259 1.123 ( -3.522 0.000 0.893) 3.634 1.445 ( -41.675 0.000 28.056) 50.239 1.927 ( -0.905 0.000 6.413) 6.476 2.226 ( -1.161 0.000 -2.832) 3.061 2.321 ( 2.029 0.000 -18.294) 18.406 2.795 ( -3.903 0.000 -1.016) 4.033 3.078 ( 3.205 0.000 -2.708) 4.195 3.168 ( 11.663 0.000 -27.679) 30.036 3.246 ( 7.751 0.000 2.244) 8.069 3.325 ( 3.938 0.000 -1.938) 4.389 3.749 ( 6.497 0.000 -1.126) 6.594 4.009 ( 4.942 0.000 1.011) 5.045 4.159 ( 5.995 0.000 -3.495) 6.940 4.261 ( 5.409 0.000 -6.778) 8.672 4.447 ( 3.787 0.000 2.107) 4.334 4.824 ( 4.225 0.000 1.209) 4.395 4.993 ( -20.843 0.000 -15.473) 25.959 5.035 ( -15.745 0.000 5.311) 16.616 5.386 ( -0.545 0.000 -10.153) 10.168 5.754 ( -12.857 0.000 2.493) 13.097 6.079 ( 0.410 0.000 -6.906) 6.918 6.210 ( -0.666 0.000 16.404) 16.417 6.346 ( 2.322 0.000 6.482) 6.886 6.734 ( 7.563 0.000 4.444) 8.772 6.804 ( 13.663 0.000 20.530) 24.660 7.062 ( -14.426 0.000 2.375) 14.620 7.684 ( 5.945 0.000 -1.522) 6.137 7.857 ( 13.939 0.000 12.028) 18.411 8.278 ( 2.691 0.000 -13.031) 13.306 8.328 ( 3.056 0.000 10.021) 10.477 8.491 ( 6.006 0.000 1.174) 6.119 8.637 ( 3.455 0.000 3.296) 4.775 8.928 ( -1.032 0.000 -9.784) 9.839 9.141 ( -2.888 0.000 12.082) 12.422 9.360 ( 8.641 0.000 6.939) 11.082 9.613 ( 12.525 0.000 0.571) 12.538 9.862 ( -20.424 0.000 -6.945) 21.573 10.149 ( -3.269 0.000 3.637) 4.890 10.665 ( 6.613 0.000 -0.954) 6.682 10.950 ( -0.347 0.000 -4.970) 4.982 10.970 ( -2.626 0.000 1.827) 3.199 11.206 ( -3.357 0.000 -3.154) 4.606 11.422 ( -7.006 0.000 -0.826) 7.054 11.549 ( -4.817 0.000 -2.898) 5.622 11.722 ( -1.574 0.000 -3.407) 3.753 11.898 ( 6.107 0.000 -0.787) 6.158 11.952 ( -5.869 0.000 -4.764) 7.559 12.242 ( -6.783 0.000 -3.498) 7.631 12.616 ( 7.962 0.000 -3.045) 8.525 12.827 ( -2.600 0.000 10.685) 10.997 13.161 ( -10.142 0.000 3.042) 10.588 13.203 ( 2.995 0.000 -1.865) 3.528 13.791 ( 9.947 0.000 -2.268) 10.203 14.168 ( 4.696 0.000 5.568) 7.283 14.223 ( -8.225 0.000 8.491) 11.821 14.353 ( 3.756 0.000 -0.723) 3.825 14.499 ( -7.941 0.000 6.118) 10.024 14.910 ( -2.070 0.000 -4.910) 5.329 15.134 ( -0.489 0.000 -0.014) 0.489 16.008 ( 9.662 0.000 3.976) 10.449 16.516 ( 3.795 0.000 -6.075) 7.163 17.535 ( 4.700 0.000 -4.602) 6.578 17.743 ( 1.271 0.000 -3.666) 3.880 18.032 ( 40.028 0.000 -10.374) 41.350 18.209 ( 5.433 0.000 -0.159) 5.436 18.770 ( -5.715 0.000 5.877) 8.197 19.538 ( 7.928 0.000 2.169) 8.219 20.121 ( 2.770 0.000 27.095) 27.236 20.546 ( -3.580 0.000 0.545) 3.621 21.281 ( 3.048 0.000 0.405) 3.075 22.396 ( -88.914 0.000 -77.952) 118.247 24.611 ( 56.380 0.000 53.909) 78.005 25.543 ( -4.169 0.000 -9.149) 10.054 25.657 ( 2.212 0.000 4.594) 5.099 27.896 ( -2.477 0.000 6.662) 7.108 28.471 ( 0.714 0.000 2.041) 2.162 ======================= Grid point 87 (35/128) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -5.581 16.013 16.561) 23.703 0.947 ( 8.467 14.135 29.299) 33.615 1.406 ( 5.192 47.311 16.928) 50.516 1.797 ( -0.161 25.669 4.836) 26.121 2.033 ( 2.986 20.855 -1.619) 21.129 2.324 ( 2.958 5.829 -13.642) 15.127 2.505 ( 0.856 20.092 0.390) 20.114 2.753 ( -0.782 1.748 -1.949) 2.732 3.076 ( -3.439 -0.585 -11.030) 11.569 3.136 ( -4.206 2.463 -13.133) 14.008 3.382 ( 2.589 1.948 -2.643) 4.181 3.598 ( 9.343 7.946 -0.272) 12.268 3.816 ( -2.649 2.516 -1.058) 3.803 4.026 ( 9.602 1.370 -2.468) 10.008 4.281 ( 1.972 3.333 -5.250) 6.524 4.379 ( 9.056 2.669 -5.863) 11.113 4.609 ( -4.632 3.047 7.571) 9.384 4.679 ( -15.866 5.439 2.193) 16.915 4.784 ( -8.517 10.603 -7.798) 15.677 5.073 ( 5.348 0.901 -8.008) 9.672 5.545 ( 1.276 8.323 -8.888) 12.243 5.615 ( -2.732 4.952 -0.812) 5.713 5.978 ( -4.697 -7.884 -1.021) 9.234 6.080 ( -1.372 -6.959 11.843) 13.805 6.316 ( 2.574 -6.184 8.586) 10.890 6.500 ( -1.784 -6.936 9.816) 12.151 6.852 ( 0.789 3.014 4.197) 5.227 7.131 ( -1.284 -6.631 0.838) 6.806 7.754 ( 4.515 -2.121 -2.699) 5.672 7.973 ( -1.790 -9.566 -7.789) 12.465 8.261 ( -1.607 -0.447 -2.363) 2.892 8.529 ( 0.762 -3.698 0.913) 3.884 8.681 ( -14.212 17.117 -7.352) 23.431 8.759 ( 4.230 4.566 0.554) 6.249 8.858 ( 1.343 -9.064 -0.643) 9.186 9.295 ( 2.927 6.425 6.933) 9.895 9.476 ( -1.881 -3.919 3.638) 5.669 9.650 ( 11.238 -3.809 8.358) 14.514 9.786 ( 6.008 0.103 -0.340) 6.019 10.459 ( 14.752 6.606 -0.665) 16.178 10.666 ( -5.346 -9.089 -1.299) 10.625 10.914 ( 1.174 -2.495 -0.830) 2.880 10.984 ( -4.590 8.374 -9.679) 13.597 11.081 ( -1.326 6.909 0.083) 7.036 11.342 ( 10.478 3.852 -1.325) 11.242 11.472 ( -14.723 13.129 -5.606) 20.508 11.763 ( -4.824 -0.399 -5.024) 6.977 11.859 ( 7.313 1.153 1.790) 7.617 12.069 ( -7.000 2.228 -2.528) 7.768 12.162 ( 1.520 5.252 2.404) 5.973 12.632 ( 5.845 -7.983 3.232) 10.408 12.785 ( -1.803 -3.151 3.330) 4.927 12.909 ( -8.069 -2.003 6.545) 10.581 13.278 ( -0.105 -1.430 1.757) 2.268 13.580 ( -3.947 -16.356 13.746) 21.727 13.942 ( -1.493 -11.733 9.590) 15.227 14.177 ( -3.611 -6.418 2.023) 7.637 14.354 ( 1.658 -5.003 -0.896) 5.346 14.537 ( 8.896 1.323 -0.844) 9.033 14.874 ( -9.257 -1.899 2.251) 9.715 15.211 ( -0.316 11.938 0.101) 11.943 16.183 ( -3.138 32.419 -14.731) 35.747 16.849 ( 2.974 16.428 -3.640) 17.087 17.223 ( -19.776 -12.433 16.937) 28.854 17.700 ( 7.436 0.835 -9.073) 11.761 18.274 ( 5.426 1.637 -2.045) 6.026 18.582 ( -8.260 5.708 -5.770) 11.580 18.713 ( -6.151 11.120 -11.740) 17.301 19.523 ( -13.755 -0.311 5.357) 14.765 19.831 ( -4.507 4.154 0.059) 6.130 20.477 ( -0.336 -3.146 0.238) 3.173 21.227 ( -1.590 -6.605 0.190) 6.797 22.022 ( -38.997 88.526 -67.044) 117.697 25.358 ( -4.628 -8.242 -10.076) 13.816 25.704 ( 4.425 -1.718 4.317) 6.416 26.371 ( 78.947 -40.282 34.842) 95.232 27.810 ( -1.637 0.773 0.709) 1.944 28.467 ( 0.681 -2.449 2.823) 3.799 ======================= Grid point 88 (36/128) ======================= q-point: ( 0.10 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 16.537 17.402 -2.523) 24.139 1.266 ( 13.972 29.129 11.767) 34.383 1.753 ( 10.470 27.663 4.234) 29.880 1.829 ( 17.354 25.807 23.415) 38.928 2.097 ( 3.425 16.915 2.459) 17.433 2.376 ( 2.621 12.279 -9.637) 15.827 2.530 ( 1.597 12.436 -1.203) 12.596 2.750 ( -0.518 1.820 -3.494) 3.974 2.891 ( -10.647 6.247 -16.177) 20.349 3.060 ( -3.751 -2.460 -2.630) 5.199 3.473 ( 5.116 1.455 -2.497) 5.876 3.640 ( -11.758 6.217 -1.511) 13.386 3.664 ( -4.250 5.016 -0.576) 6.600 4.194 ( 3.441 6.572 2.128) 7.717 4.294 ( -17.588 8.397 3.734) 19.844 4.353 ( 8.739 2.364 -13.775) 16.483 4.482 ( 3.918 6.584 -10.410) 12.925 4.553 ( -4.787 1.156 12.606) 13.534 4.842 ( 11.255 3.497 -0.256) 11.788 5.090 ( 1.610 5.390 -12.454) 13.666 5.579 ( 3.201 2.877 -9.406) 10.343 5.719 ( 8.572 0.561 0.384) 8.599 5.908 ( -2.854 -8.349 9.897) 13.259 6.071 ( -0.638 -3.931 4.189) 5.780 6.351 ( -0.021 -7.390 6.357) 9.748 6.463 ( -2.486 -6.171 7.603) 10.102 6.770 ( -6.251 3.380 4.462) 8.391 7.258 ( 10.931 -7.360 -0.372) 13.183 7.804 ( -0.126 3.166 0.266) 3.180 7.836 ( -11.397 8.335 -2.980) 14.431 8.149 ( -7.510 11.481 0.269) 13.722 8.368 ( -7.151 0.464 1.829) 7.396 8.529 ( 0.561 -4.998 3.889) 6.357 8.819 ( -4.856 -8.022 1.077) 9.439 8.871 ( 5.030 9.334 -4.763) 11.624 9.232 ( -6.305 8.305 4.905) 11.523 9.424 ( -2.926 -5.379 6.145) 8.675 9.628 ( -6.695 4.691 -4.506) 9.335 10.189 ( 16.465 -6.155 10.551) 20.501 10.422 ( -6.910 0.790 1.175) 7.054 10.683 ( 1.729 -7.990 1.693) 8.349 10.814 ( -7.630 4.406 -5.271) 10.268 11.027 ( 3.887 3.003 -3.636) 6.112 11.118 ( 6.420 10.357 -2.505) 12.440 11.350 ( 3.225 0.234 -1.122) 3.423 11.577 ( 10.061 5.592 -12.529) 17.014 11.670 ( -3.326 1.267 -10.625) 11.205 11.899 ( -8.555 3.956 -2.692) 9.802 11.958 ( 1.791 1.766 4.872) 5.483 12.181 ( 0.252 0.893 0.082) 0.931 12.647 ( -6.248 -4.557 -0.695) 7.765 12.740 ( -6.251 -0.610 -0.861) 6.339 13.024 ( 20.554 -10.702 3.531) 23.441 13.256 ( -1.521 -6.445 7.227) 9.801 13.499 ( -6.184 -10.638 11.063) 16.547 13.904 ( -1.792 -10.226 9.328) 13.957 14.118 ( -2.693 -6.586 -1.026) 7.189 14.358 ( -0.838 -4.225 0.521) 4.339 14.607 ( -4.305 -1.789 6.379) 7.901 14.888 ( 11.182 -2.818 -5.640) 12.837 15.247 ( 5.596 15.602 -0.041) 16.575 15.872 ( -21.678 62.752 -12.293) 67.519 16.846 ( -6.334 16.680 4.269) 18.346 17.000 ( 4.747 -6.435 -1.360) 8.111 17.804 ( 2.580 2.989 -2.575) 4.714 18.165 ( -14.714 24.559 -8.948) 29.995 18.323 ( -2.136 12.773 -5.144) 13.934 18.536 ( -4.980 -0.606 2.483) 5.598 19.291 ( -11.715 -5.628 5.655) 14.173 19.994 ( 5.860 1.864 8.934) 10.846 20.501 ( 2.854 -3.620 -0.237) 4.616 21.203 ( 0.016 -6.434 1.050) 6.519 21.853 ( 15.096 49.646 -26.889) 58.444 25.262 ( -3.580 -8.734 -9.179) 13.166 25.774 ( 2.598 -0.507 1.941) 3.282 26.756 ( -24.725 -25.614 0.791) 35.610 28.067 ( 16.142 -15.887 10.932) 25.149 28.483 ( 0.655 -2.293 2.901) 3.756 ======================= Grid point 89 (37/128) ======================= q-point: ( 0.20 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 27.161 10.312 -15.287) 32.829 1.526 ( 11.853 33.416 3.814) 35.660 1.777 ( 2.206 26.626 -4.503) 27.094 2.155 ( 2.448 19.877 1.849) 20.112 2.375 ( 8.195 12.919 1.164) 15.344 2.412 ( 13.374 7.171 6.503) 16.510 2.546 ( 0.534 4.981 -1.686) 5.286 2.626 ( -3.005 16.224 -5.342) 17.343 2.817 ( 0.950 0.888 -2.090) 2.461 2.984 ( -3.593 -2.319 -1.759) 4.624 3.352 ( -14.853 8.546 -3.252) 17.441 3.422 ( -12.284 5.558 -7.555) 15.455 3.605 ( -1.415 3.296 -2.720) 4.502 4.006 ( -10.349 6.787 9.319) 15.492 4.261 ( 2.778 2.971 -4.057) 5.745 4.361 ( -7.063 0.869 17.296) 18.703 4.546 ( 4.759 8.086 -14.319) 17.120 4.621 ( 7.535 -0.456 -2.450) 7.936 5.072 ( 13.116 -4.121 -10.645) 17.387 5.223 ( 10.575 6.823 -0.957) 12.621 5.643 ( 3.709 -1.004 -5.552) 6.752 5.813 ( -1.430 1.319 7.106) 7.368 5.890 ( 1.505 -4.065 7.061) 8.285 6.062 ( -0.499 -2.079 -0.361) 2.169 6.320 ( -2.410 -8.885 3.091) 9.711 6.439 ( -0.716 -2.355 6.026) 6.510 6.681 ( -3.035 7.231 4.383) 8.984 7.446 ( 6.671 -6.391 0.181) 9.240 7.687 ( -0.183 26.809 0.069) 26.810 7.777 ( -2.500 5.527 1.269) 6.197 8.102 ( 1.961 5.874 0.906) 6.259 8.296 ( -3.043 -9.607 3.454) 10.652 8.564 ( -0.314 -2.729 0.937) 2.902 8.692 ( -4.410 -9.476 0.022) 10.452 8.945 ( 2.848 11.059 -4.447) 12.255 9.090 ( -8.311 9.827 4.250) 13.554 9.380 ( -2.239 -4.697 5.881) 7.852 9.462 ( -7.963 5.084 -0.535) 9.463 10.333 ( 5.713 1.497 0.913) 5.976 10.487 ( 3.013 -3.913 1.296) 5.106 10.609 ( -9.498 1.079 1.905) 9.747 10.679 ( -2.472 -2.062 -1.763) 3.670 11.129 ( 5.588 -1.221 -1.537) 5.923 11.245 ( 6.944 4.347 1.531) 8.334 11.464 ( 6.041 1.853 -1.878) 6.592 11.604 ( -4.173 -6.948 -8.868) 12.013 11.651 ( -0.765 1.758 -8.331) 8.549 11.800 ( 0.405 9.225 -8.374) 12.465 11.984 ( 0.828 8.389 4.037) 9.347 12.173 ( -0.672 -2.739 -5.985) 6.616 12.531 ( -2.661 -4.002 -2.804) 5.564 12.612 ( -7.434 3.869 1.015) 8.442 13.244 ( -1.989 -8.164 7.903) 11.535 13.352 ( 2.085 -0.405 2.409) 3.212 13.386 ( 5.116 -11.468 1.700) 12.672 13.904 ( -0.112 -9.673 7.786) 12.418 14.072 ( -1.466 -7.370 -2.529) 7.928 14.334 ( -1.452 -4.944 2.285) 5.637 14.620 ( 6.972 3.848 2.622) 8.384 14.997 ( 0.349 -3.318 -4.243) 5.398 15.467 ( 13.690 10.363 -3.004) 17.431 15.578 ( -6.148 56.604 -6.280) 57.282 16.752 ( -4.572 11.476 1.336) 12.425 17.188 ( 12.974 -4.068 -4.548) 14.338 17.783 ( -3.639 5.207 6.583) 9.149 18.017 ( -3.402 15.573 -2.586) 16.148 18.268 ( -4.093 9.214 0.024) 10.082 18.507 ( 2.541 -2.012 -8.255) 8.869 19.002 ( -18.013 -3.237 8.597) 20.220 20.001 ( -4.555 5.657 12.899) 14.803 20.580 ( 4.628 -4.397 0.405) 6.397 21.178 ( -2.878 -7.320 0.874) 7.914 22.289 ( 26.895 24.990 -10.831) 38.277 25.216 ( -0.386 -8.638 -6.402) 10.759 25.804 ( -0.646 -2.087 -0.626) 2.273 26.116 ( -33.567 -5.768 -6.135) 34.607 28.214 ( 0.067 -10.438 13.106) 16.755 28.493 ( -0.184 -1.724 2.329) 2.903 ======================= Grid point 90 (38/128) ======================= q-point: ( 0.30 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 11.069 32.491 -1.025) 34.340 1.751 ( 16.956 16.321 -14.721) 27.759 1.890 ( 8.357 10.070 -12.674) 18.217 2.183 ( 0.355 23.299 -1.233) 23.334 2.282 ( -4.292 6.435 -7.711) 10.922 2.455 ( -0.533 9.672 -1.207) 9.761 2.558 ( -0.653 16.432 -3.064) 16.728 2.785 ( -5.640 -2.232 1.132) 6.170 2.849 ( 0.504 1.666 -1.042) 2.028 3.053 ( 3.756 4.043 -3.049) 6.305 3.101 ( -10.171 9.117 -4.395) 14.349 3.184 ( 5.759 9.116 -1.882) 10.946 3.528 ( -5.059 8.097 -1.847) 9.724 3.902 ( -2.961 4.280 13.937) 14.877 4.123 ( -12.233 0.329 10.131) 15.887 4.383 ( 3.545 3.549 6.789) 8.442 4.632 ( 4.006 0.659 -17.367) 17.835 4.720 ( 3.356 0.911 -5.113) 6.184 5.315 ( 10.314 -7.162 -11.306) 16.897 5.373 ( 3.868 2.180 14.400) 15.069 5.719 ( 4.663 -0.695 -4.143) 6.276 5.758 ( -2.524 1.913 8.396) 8.973 5.908 ( -1.424 -2.198 -0.204) 2.627 6.063 ( 1.350 -2.259 1.079) 2.844 6.309 ( 0.892 -7.442 1.977) 7.751 6.430 ( -0.584 -0.317 4.252) 4.304 6.671 ( 2.306 16.792 3.186) 17.247 7.488 ( -3.202 0.265 1.020) 3.371 7.723 ( 1.591 14.159 1.964) 14.383 7.808 ( 7.118 12.618 -4.028) 15.037 8.174 ( 0.627 -4.745 4.269) 6.413 8.249 ( 1.653 1.235 3.167) 3.780 8.434 ( -8.541 -2.650 -3.898) 9.756 8.732 ( 3.332 -7.449 1.557) 8.307 8.945 ( -5.465 8.234 1.484) 9.993 8.989 ( 2.232 8.443 -1.458) 8.854 9.331 ( -3.474 5.609 5.608) 8.659 9.367 ( -2.192 -3.981 2.595) 5.234 10.372 ( -9.454 -5.547 -10.515) 15.189 10.460 ( 5.846 -2.887 -1.508) 6.693 10.503 ( -3.941 5.332 10.278) 12.231 10.675 ( 2.263 -0.738 -4.138) 4.774 11.156 ( -2.087 2.340 0.077) 3.136 11.424 ( 9.188 -1.066 1.670) 9.399 11.484 ( -6.068 -8.568 -0.984) 10.545 11.525 ( 0.613 6.817 -4.949) 8.446 11.645 ( 0.436 1.859 -5.221) 5.559 11.839 ( 3.801 3.581 -5.738) 7.759 11.999 ( 0.404 5.566 2.037) 5.941 12.176 ( 2.648 6.216 -10.506) 12.492 12.443 ( -9.390 4.280 -0.181) 10.321 12.564 ( 4.727 -4.675 -6.310) 9.166 13.135 ( -6.853 -5.392 1.623) 8.870 13.381 ( 3.914 -2.964 7.393) 8.875 13.519 ( 3.162 -6.081 1.529) 7.023 13.865 ( -4.041 -6.363 0.329) 7.545 14.063 ( 0.108 -8.093 2.690) 8.529 14.336 ( 2.045 -5.358 0.469) 5.754 14.851 ( 13.718 -1.827 -0.211) 13.841 14.985 ( 1.502 7.803 -1.707) 8.127 15.496 ( -0.540 32.289 -6.943) 33.031 15.742 ( 11.272 17.427 0.395) 20.758 16.638 ( -7.664 11.503 2.000) 13.966 17.463 ( 14.572 -6.739 -2.601) 16.264 17.711 ( -3.973 3.905 7.869) 9.641 17.964 ( -2.855 9.825 4.711) 11.264 18.173 ( -4.497 12.794 0.208) 13.562 18.591 ( 2.193 -2.802 -8.678) 9.379 18.653 ( -14.059 0.069 5.708) 15.174 19.878 ( -8.657 5.999 13.221) 16.903 20.657 ( 2.834 -4.043 0.734) 4.992 21.112 ( -3.274 -7.887 -0.665) 8.566 22.772 ( 21.881 14.428 -1.101) 26.233 25.231 ( 2.164 -7.739 -3.108) 8.616 25.442 ( -26.445 -0.578 -11.434) 28.817 25.871 ( 0.699 -0.343 -0.949) 1.228 28.159 ( -5.693 -5.652 8.984) 12.044 28.475 ( -1.717 -1.029 1.396) 2.440 ======================= Grid point 91 (39/128) ======================= q-point: ( 0.40 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 6.337 43.227 -2.406) 43.755 1.924 ( 1.125 1.856 -12.241) 12.432 2.116 ( 11.597 16.755 -11.819) 23.557 2.202 ( 3.875 19.763 -5.763) 20.948 2.305 ( 4.112 3.964 -3.989) 6.967 2.448 ( 1.210 5.454 0.906) 5.659 2.558 ( 1.614 17.305 -7.447) 18.909 2.634 ( -8.563 7.080 -4.264) 11.901 2.733 ( -8.221 1.202 -11.154) 13.908 2.914 ( -6.220 7.554 -4.459) 10.753 2.968 ( -3.127 2.435 -3.982) 5.618 3.395 ( -2.304 6.624 1.720) 7.221 3.614 ( 13.751 3.566 3.951) 14.745 3.874 ( -2.461 5.896 9.460) 11.416 3.918 ( -4.943 5.741 12.455) 14.578 4.450 ( 3.113 1.105 5.472) 6.392 4.610 ( -5.578 -2.218 -7.609) 9.692 4.736 ( -1.603 1.999 -13.333) 13.577 5.391 ( 1.674 -3.221 10.580) 11.185 5.461 ( 2.485 -4.121 -1.573) 5.063 5.752 ( 1.271 -1.584 6.634) 6.938 5.801 ( 1.621 1.101 1.095) 2.244 5.875 ( 0.433 -1.608 -4.717) 5.003 6.093 ( 1.013 -2.511 3.787) 4.656 6.328 ( 0.216 -4.534 3.660) 5.831 6.440 ( 1.654 -5.638 1.360) 6.031 6.790 ( 9.072 27.116 1.019) 28.612 7.350 ( -9.511 8.854 1.725) 13.108 7.757 ( 1.464 7.056 -0.279) 7.211 7.945 ( 3.530 7.276 0.555) 8.106 8.116 ( -1.765 -13.237 3.510) 13.807 8.292 ( -4.464 0.158 -4.424) 6.287 8.385 ( 8.195 15.253 -0.677) 17.328 8.720 ( -3.680 3.197 2.024) 5.278 8.927 ( 1.870 -7.078 0.728) 7.357 9.022 ( 0.687 10.832 1.210) 10.921 9.281 ( -2.366 7.814 5.292) 9.729 9.335 ( -1.675 -5.381 3.177) 6.469 10.226 ( -3.620 -5.645 -9.409) 11.554 10.432 ( -3.779 6.487 5.408) 9.252 10.520 ( 0.640 -6.682 -0.624) 6.741 10.765 ( 6.706 -0.219 -4.477) 8.066 11.104 ( -2.081 2.366 0.695) 3.227 11.372 ( -4.569 -8.666 0.222) 9.799 11.514 ( -0.957 3.860 -1.464) 4.238 11.540 ( 1.318 2.167 -3.017) 3.941 11.675 ( 4.373 5.090 -2.753) 7.253 11.896 ( 0.478 4.410 2.365) 5.027 12.005 ( 0.457 -1.214 -2.755) 3.045 12.237 ( -5.522 7.861 -11.771) 15.194 12.290 ( 4.105 9.018 -3.329) 10.452 12.662 ( 5.288 -5.725 -7.567) 10.863 13.032 ( -3.638 -6.201 -2.476) 7.604 13.460 ( 2.788 -4.843 6.746) 8.760 13.534 ( -0.825 -4.703 3.815) 6.112 13.780 ( -3.919 -3.292 -2.385) 5.647 14.081 ( 1.461 -7.245 6.796) 10.041 14.400 ( 3.872 -5.003 -1.400) 6.480 14.946 ( 1.243 -6.053 -2.829) 6.795 15.203 ( 14.135 20.451 0.883) 24.876 15.482 ( -1.280 16.264 -4.428) 16.905 15.936 ( 9.229 18.019 -0.050) 20.245 16.458 ( -10.470 12.966 2.306) 16.825 17.638 ( -0.998 3.949 4.938) 6.401 17.710 ( 6.337 -3.023 2.987) 7.630 17.873 ( -6.979 3.857 8.475) 11.637 18.150 ( -1.385 11.534 5.335) 12.783 18.338 ( -7.966 2.361 -0.063) 8.309 18.729 ( 6.399 -2.471 -10.460) 12.509 19.713 ( -8.676 6.564 13.684) 17.482 20.681 ( -0.246 -2.861 -0.077) 2.873 21.070 ( -0.853 -9.920 -1.088) 10.016 23.095 ( 10.675 10.612 1.811) 15.160 25.047 ( -12.321 3.642 -11.185) 17.034 25.282 ( 2.948 -6.867 -0.181) 7.475 25.893 ( 1.153 -1.949 -1.390) 2.658 28.037 ( -6.866 -3.083 3.786) 8.425 28.437 ( -2.029 -0.716 0.363) 2.182 ======================= Grid point 92 (40/128) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 5.212 49.917 -3.607) 50.318 1.968 ( 4.083 4.455 -6.741) 9.054 2.106 ( -5.020 16.993 -2.190) 17.853 2.252 ( -1.712 9.255 -2.040) 9.630 2.371 ( -3.864 0.093 -10.209) 10.916 2.496 ( -1.243 10.921 -3.714) 11.603 2.513 ( 5.067 3.149 -24.368) 25.087 2.627 ( 5.490 12.648 -12.123) 18.359 2.637 ( -0.123 14.363 -5.182) 15.269 2.827 ( -1.742 -1.249 0.201) 2.153 2.935 ( -0.721 3.268 2.185) 3.997 3.357 ( 0.154 7.318 6.503) 9.791 3.646 ( -5.436 1.675 2.069) 6.053 3.793 ( -2.499 4.120 12.010) 12.941 4.076 ( 9.453 10.985 2.404) 14.690 4.375 ( -15.427 -2.251 -0.425) 15.596 4.553 ( 2.457 -1.046 1.168) 2.915 4.668 ( -0.296 2.934 -12.950) 13.281 5.417 ( -1.690 -3.439 11.614) 12.230 5.501 ( 3.453 -6.123 -8.473) 11.009 5.771 ( -1.127 -3.142 6.493) 7.301 5.788 ( -1.181 -1.518 5.510) 5.836 5.921 ( 4.049 2.980 -0.646) 5.068 6.135 ( 3.301 -0.057 2.783) 4.318 6.321 ( -1.109 -4.135 4.098) 5.926 6.489 ( 2.833 -8.351 1.767) 8.994 6.907 ( -2.713 31.736 -1.297) 31.878 7.225 ( 1.153 9.406 2.547) 9.813 7.783 ( 1.539 4.282 0.408) 4.568 7.910 ( -3.945 -6.194 2.756) 7.844 8.104 ( -2.857 -4.485 -2.811) 6.015 8.286 ( 3.775 -0.493 0.655) 3.863 8.538 ( 6.174 24.369 -3.820) 25.427 8.672 ( 0.441 4.149 1.857) 4.567 8.898 ( -5.071 0.387 2.049) 5.483 9.032 ( -1.376 4.762 4.625) 6.780 9.238 ( -1.263 3.123 0.581) 3.418 9.306 ( -1.615 -5.313 2.416) 6.055 10.230 ( 3.581 -3.822 -3.177) 6.125 10.375 ( -2.161 4.818 0.220) 5.285 10.516 ( -0.105 -4.924 -1.985) 5.310 10.889 ( 5.545 -1.809 0.534) 5.857 11.108 ( 2.931 -0.579 -0.796) 3.092 11.306 ( -2.148 -7.872 0.401) 8.170 11.465 ( -3.285 0.421 -2.065) 3.903 11.585 ( 4.416 6.453 -1.505) 7.963 11.735 ( -0.610 4.751 -0.777) 4.853 11.853 ( -4.606 10.491 0.564) 11.472 11.978 ( -3.324 0.616 -8.028) 8.711 12.119 ( -1.179 1.550 0.302) 1.970 12.445 ( 8.712 7.269 -12.686) 17.019 12.741 ( 3.029 -5.381 -5.648) 8.369 12.983 ( -1.180 -7.018 -4.675) 8.515 13.475 ( -0.830 -7.156 1.127) 7.291 13.540 ( 0.978 -3.370 8.682) 9.365 13.723 ( -1.916 -0.785 -0.628) 2.164 14.125 ( 2.150 -6.475 7.042) 9.805 14.467 ( 2.885 -4.663 -0.387) 5.497 14.976 ( 2.040 -4.380 -1.096) 4.955 15.397 ( -1.777 43.903 -0.885) 43.948 15.425 ( 2.949 -10.988 -2.893) 11.739 16.032 ( -4.066 14.747 -0.833) 15.320 16.333 ( 2.086 14.962 2.468) 15.307 17.598 ( -3.937 4.457 7.035) 9.212 17.737 ( -1.902 1.472 2.597) 3.540 17.811 ( -0.403 8.888 3.313) 9.494 17.958 ( -11.811 3.237 7.710) 14.472 18.456 ( 12.135 -0.124 -2.885) 12.474 18.826 ( 4.267 -2.370 -6.752) 8.332 19.603 ( -2.885 8.337 14.521) 16.991 20.665 ( -0.859 -2.513 -1.120) 2.882 21.069 ( 0.466 -10.558 -0.668) 10.590 23.188 ( -0.358 10.009 0.851) 10.051 24.938 ( 0.799 4.765 -8.928) 10.151 25.338 ( 2.631 -6.582 1.993) 7.363 25.899 ( -0.690 -2.408 -1.835) 3.105 27.921 ( -4.803 -1.735 -0.114) 5.109 28.408 ( -0.762 -0.683 -0.352) 1.082 ======================= Grid point 93 (41/128) ======================= q-point: (-0.40 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -7.797 44.942 0.808) 45.621 1.975 ( -9.708 6.490 -16.177) 19.951 1.998 ( -3.454 28.480 -4.580) 29.052 2.172 ( -1.404 -0.079 -10.080) 10.178 2.293 ( -0.490 5.739 -9.255) 10.901 2.471 ( -2.232 1.952 3.199) 4.362 2.548 ( -1.565 16.688 -1.582) 16.836 2.668 ( 8.337 6.366 -22.497) 24.822 2.776 ( 7.596 5.398 -11.327) 14.667 2.855 ( 4.035 4.121 -1.425) 5.941 2.942 ( 2.449 0.553 2.238) 3.363 3.452 ( 7.080 4.838 9.481) 12.784 3.520 ( -7.668 8.022 -2.547) 11.386 3.803 ( 2.243 4.913 15.626) 16.533 3.999 ( -19.493 1.017 10.992) 22.401 4.194 ( 2.259 7.147 -3.280) 8.181 4.490 ( -4.089 1.064 -22.075) 22.475 4.786 ( 7.211 -0.332 1.758) 7.430 5.338 ( -6.776 -5.358 5.674) 10.335 5.537 ( -0.614 -7.089 -5.949) 9.274 5.743 ( 0.916 -1.941 4.378) 4.876 5.822 ( 3.091 -1.115 5.519) 6.423 6.028 ( 6.461 4.177 4.510) 8.918 6.202 ( 2.542 1.115 4.581) 5.356 6.292 ( -2.384 -3.831 4.335) 6.257 6.540 ( 1.875 -9.373 4.295) 10.479 6.708 ( -13.205 29.030 -1.524) 31.929 7.351 ( 7.154 8.756 1.215) 11.372 7.828 ( 2.910 0.646 0.681) 3.057 7.861 ( -0.448 -7.783 -0.430) 7.808 8.007 ( -6.334 -1.196 -1.131) 6.545 8.359 ( 1.645 1.420 2.061) 2.995 8.557 ( -1.915 13.101 -0.044) 13.241 8.736 ( 1.415 18.421 3.493) 18.802 8.849 ( 1.413 5.578 -3.333) 6.650 8.936 ( -4.260 0.505 1.558) 4.564 9.254 ( 0.682 -2.078 0.976) 2.395 9.289 ( 0.846 -4.271 2.294) 4.922 10.275 ( -0.247 4.804 2.803) 5.567 10.355 ( -0.128 -5.018 -3.739) 6.259 10.545 ( 3.503 0.741 -3.872) 5.274 10.976 ( 3.109 -3.030 5.803) 7.247 11.200 ( 5.510 -4.549 -1.065) 7.224 11.291 ( 0.388 -6.239 -3.231) 7.036 11.404 ( -2.637 -1.833 -4.102) 5.210 11.631 ( -8.703 6.350 1.511) 10.879 11.691 ( 3.291 5.917 1.071) 6.855 11.711 ( -4.281 10.882 -3.794) 12.294 11.983 ( 3.590 3.910 -7.215) 8.957 12.146 ( 2.797 -0.844 -0.050) 2.922 12.573 ( 4.979 1.690 -10.204) 11.479 12.748 ( -1.975 -4.408 -5.419) 7.259 12.991 ( 2.767 -5.769 -2.982) 7.058 13.476 ( 0.154 -5.479 4.272) 6.949 13.568 ( 1.321 -2.572 9.213) 9.656 13.697 ( -0.443 -1.738 -1.212) 2.164 14.167 ( 1.431 -6.005 5.137) 8.031 14.499 ( -0.075 -5.120 2.052) 5.516 15.018 ( 2.022 -5.764 0.333) 6.118 15.206 ( -13.420 7.296 -0.041) 15.275 15.539 ( 5.742 26.027 -2.713) 26.791 15.845 ( -11.187 15.432 -3.114) 19.313 16.467 ( 7.655 13.967 3.369) 16.280 17.516 ( -3.694 2.338 1.561) 4.642 17.667 ( -11.223 4.517 5.512) 13.295 17.739 ( 0.262 0.980 0.530) 1.145 17.912 ( 4.666 12.044 -2.398) 13.137 18.693 ( 12.145 -4.597 5.563) 14.128 18.880 ( 1.759 -2.145 -2.937) 4.040 19.644 ( 5.503 10.302 14.812) 18.863 20.656 ( -0.102 -2.842 -0.849) 2.968 21.078 ( 0.437 -9.668 -0.803) 9.711 23.131 ( -4.440 11.399 3.255) 12.659 24.992 ( 3.873 4.447 -14.101) 15.285 25.388 ( 2.341 -6.637 3.448) 7.837 25.857 ( -3.347 -2.293 -2.907) 4.991 27.861 ( -1.246 -1.164 -0.753) 1.864 28.408 ( 0.701 -0.823 -0.492) 1.188 ======================= Grid point 94 (42/128) ======================= q-point: (-0.30 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -25.529 7.344 -21.859) 34.402 1.659 ( -13.526 35.983 -0.024) 38.442 1.968 ( -1.720 46.335 -2.760) 46.449 2.140 ( -5.544 -1.005 -4.398) 7.147 2.323 ( 2.877 1.473 -13.149) 13.541 2.392 ( -1.203 2.684 -3.382) 4.482 2.522 ( -1.841 17.935 -3.311) 18.331 2.825 ( 5.316 2.342 0.253) 5.815 2.936 ( 10.435 1.061 -11.829) 15.810 2.988 ( 7.748 -2.397 -9.435) 12.442 3.010 ( 4.924 4.935 -3.022) 7.598 3.200 ( -21.864 13.037 7.621) 26.572 3.601 ( 4.405 5.219 4.688) 8.284 3.802 ( 0.136 2.593 10.633) 10.945 3.899 ( 5.824 5.422 12.890) 15.149 4.206 ( -0.427 2.560 -7.282) 7.731 4.432 ( 1.315 5.304 -21.960) 22.630 4.854 ( -0.582 0.477 2.608) 2.714 5.198 ( -6.963 -6.555 2.540) 9.895 5.467 ( -5.941 -6.158 -1.240) 8.646 5.812 ( 4.777 -2.792 -4.513) 7.140 5.893 ( 2.868 1.011 5.103) 5.941 6.136 ( -0.221 2.043 7.571) 7.845 6.234 ( 2.892 1.176 9.431) 9.934 6.251 ( -1.667 1.658 6.420) 6.837 6.470 ( -8.793 20.411 -2.762) 22.395 6.568 ( -0.070 -7.719 6.650) 10.189 7.446 ( 2.618 0.946 -0.305) 2.800 7.782 ( -8.267 -0.149 -3.990) 9.181 7.907 ( -0.896 -6.856 2.045) 7.210 7.957 ( 7.003 1.106 2.278) 7.447 8.291 ( -6.148 16.980 3.397) 18.376 8.579 ( 4.128 0.000 -0.703) 4.188 8.697 ( -9.713 -5.453 2.704) 11.463 8.807 ( 5.135 15.073 -1.722) 16.016 9.067 ( 9.444 11.884 -1.198) 15.227 9.238 ( -1.011 -4.732 -0.576) 4.873 9.347 ( 4.039 -0.698 3.876) 5.642 10.245 ( -2.644 1.745 -1.495) 3.504 10.340 ( -1.201 0.008 -2.032) 2.361 10.604 ( 2.040 4.529 -1.666) 5.239 10.994 ( -2.265 -5.414 7.393) 9.440 11.236 ( -8.031 0.949 -9.946) 12.819 11.291 ( 2.409 -4.332 5.118) 7.125 11.347 ( -1.230 -5.874 -6.822) 9.086 11.553 ( 3.491 2.610 -3.120) 5.361 11.620 ( -1.690 4.346 -2.275) 5.188 11.798 ( 3.670 7.914 3.688) 9.471 12.060 ( 4.529 6.356 -6.763) 10.327 12.221 ( 5.060 -3.316 0.263) 6.056 12.565 ( -5.818 -7.084 -7.821) 12.050 12.733 ( 2.891 2.118 -2.985) 4.664 13.080 ( 6.064 -4.976 0.046) 7.845 13.421 ( -6.679 1.433 11.592) 13.454 13.616 ( 1.396 -5.232 4.745) 7.200 13.740 ( 5.859 -5.217 -1.049) 7.915 14.191 ( 0.919 -6.316 2.619) 6.899 14.457 ( -4.688 -6.024 4.688) 8.958 14.901 ( -14.725 -4.261 1.633) 15.416 15.075 ( 1.819 3.330 0.578) 3.838 15.602 ( -7.532 28.962 -3.554) 30.136 15.689 ( 4.262 14.155 -2.156) 14.940 16.605 ( 6.776 17.191 1.651) 18.552 17.436 ( -5.683 -7.457 -5.466) 10.852 17.529 ( -0.916 10.440 0.268) 10.483 17.725 ( -1.570 -0.940 1.581) 2.418 18.050 ( 8.901 13.755 -4.463) 16.981 18.874 ( 0.070 -2.935 0.835) 3.052 18.968 ( 13.285 -5.034 9.766) 17.240 19.818 ( 10.327 11.577 17.362) 23.284 20.646 ( -1.327 -3.086 0.411) 3.384 21.091 ( 1.330 -8.703 -1.259) 8.894 23.068 ( -1.350 15.576 11.773) 19.572 24.995 ( -3.312 4.089 -30.717) 31.164 25.439 ( 2.730 -6.415 4.059) 8.067 25.769 ( -5.182 -2.510 -4.526) 7.323 27.864 ( 1.138 -0.849 2.391) 2.781 28.427 ( 1.045 -1.129 0.010) 1.539 ======================= Grid point 95 (43/128) ======================= q-point: (-0.20 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -29.256 10.244 -23.967) 39.183 1.420 ( -11.893 37.343 5.267) 39.543 1.905 ( -5.882 39.796 3.773) 40.405 2.006 ( -4.045 10.137 -1.519) 11.019 2.234 ( -25.639 6.751 4.494) 26.891 2.312 ( -1.434 0.180 -14.993) 15.062 2.504 ( 0.871 19.126 -0.488) 19.152 2.830 ( 0.226 0.038 -4.133) 4.139 2.907 ( 1.958 3.238 -1.419) 4.041 3.083 ( 5.576 11.209 -4.425) 13.278 3.155 ( 8.299 1.994 -4.248) 9.534 3.227 ( 11.296 0.065 -13.336) 17.477 3.672 ( 3.470 6.390 2.200) 7.597 3.868 ( 3.404 -0.119 9.212) 9.821 4.020 ( 5.461 -1.633 2.824) 6.361 4.208 ( 2.330 6.150 -5.735) 8.726 4.504 ( 6.371 8.203 -12.683) 16.394 4.820 ( -0.807 2.575 2.053) 3.391 5.090 ( -4.496 -6.704 -1.547) 8.219 5.297 ( -11.693 -3.993 1.331) 12.428 5.826 ( -5.962 8.900 -9.410) 14.259 5.926 ( 0.059 1.693 -1.165) 2.056 6.031 ( -6.119 -1.419 7.995) 10.167 6.218 ( -1.929 3.160 12.764) 13.290 6.280 ( -2.801 -2.734 -0.511) 3.947 6.453 ( 5.609 3.307 14.128) 15.557 6.590 ( 3.551 -4.151 4.404) 7.017 7.433 ( -5.789 -7.503 0.842) 9.514 7.620 ( -3.670 11.161 -2.375) 11.987 7.886 ( -0.517 -7.728 -2.398) 8.108 8.108 ( 5.749 5.310 2.881) 8.340 8.279 ( 6.928 12.406 7.491) 16.063 8.529 ( -6.883 -7.157 1.922) 10.114 8.670 ( 4.809 2.900 -2.455) 6.129 8.889 ( 1.188 3.416 -3.722) 5.190 9.193 ( 3.585 3.758 4.127) 6.634 9.247 ( 2.152 1.569 0.556) 2.721 9.482 ( 10.277 7.827 0.676) 12.936 10.135 ( -9.975 -4.843 -5.681) 12.459 10.311 ( -1.462 9.057 0.761) 9.206 10.628 ( 1.099 6.462 0.959) 6.624 10.940 ( -2.419 -4.230 1.689) 5.157 11.047 ( -7.206 -0.993 -2.674) 7.750 11.285 ( -4.356 -1.942 -7.628) 8.996 11.326 ( -1.384 -8.304 2.407) 8.756 11.611 ( 2.108 5.268 -3.323) 6.575 11.682 ( 6.624 -4.119 -3.072) 8.384 11.853 ( 1.770 7.336 1.663) 7.727 12.123 ( 1.839 8.148 -5.489) 9.995 12.327 ( 1.963 -5.876 -1.271) 6.325 12.427 ( -2.914 -4.634 -4.840) 7.307 12.807 ( 3.252 -0.484 3.030) 4.471 13.197 ( 4.539 -3.015 2.308) 5.918 13.276 ( -7.991 3.010 10.372) 13.435 13.614 ( -0.893 -5.806 0.265) 5.880 13.871 ( 5.246 -10.520 6.731) 13.546 14.220 ( 2.446 -6.676 -0.006) 7.110 14.342 ( -6.459 -5.217 5.809) 10.133 14.650 ( -10.810 -2.320 2.796) 11.404 15.105 ( 0.461 -0.793 -1.288) 1.581 15.394 ( -10.611 20.106 -2.467) 22.867 15.866 ( 11.512 22.267 -1.319) 25.101 16.734 ( 5.804 22.691 -0.953) 23.441 17.387 ( 2.941 -11.092 -4.695) 12.399 17.561 ( 1.753 7.354 1.522) 7.712 17.716 ( 3.654 -0.724 -6.689) 7.656 18.227 ( 9.544 13.749 -5.355) 17.572 18.836 ( -3.421 -2.125 3.310) 5.213 19.252 ( 13.529 -6.661 7.256) 16.735 20.051 ( 10.790 10.523 22.458) 27.047 20.596 ( -3.714 -2.967 1.020) 4.862 21.133 ( 2.990 -8.499 -0.538) 9.025 23.171 ( 12.396 26.295 19.855) 35.203 24.743 ( -19.939 5.638 -48.493) 52.735 25.502 ( 3.251 -5.314 2.222) 6.614 25.659 ( -5.300 -3.440 -4.559) 7.792 27.892 ( 0.817 -0.566 6.420) 6.496 28.443 ( 0.612 -1.612 0.972) 1.979 ======================= Grid point 96 (44/128) ======================= q-point: (-0.10 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -3.298 19.161 3.826) 19.815 1.192 ( -14.013 29.261 11.956) 34.576 1.622 ( -28.540 26.995 18.273) 43.326 1.814 ( -3.344 21.951 6.165) 23.044 1.991 ( 1.301 26.702 -3.960) 27.025 2.301 ( 0.928 1.405 -16.935) 17.019 2.499 ( -0.324 22.408 0.838) 22.426 2.794 ( -3.040 0.927 -1.511) 3.519 3.036 ( 6.327 -1.788 -6.541) 9.274 3.196 ( 2.055 0.448 -18.959) 19.076 3.333 ( 13.556 7.957 -1.619) 15.802 3.362 ( 3.634 5.591 -5.598) 8.706 3.759 ( 5.586 3.274 -1.264) 6.597 3.928 ( 2.224 -2.062 6.313) 7.004 4.154 ( 8.956 -2.779 -2.010) 9.590 4.268 ( 3.452 7.966 -4.097) 9.600 4.595 ( 3.016 5.484 -2.137) 6.613 4.900 ( 8.818 4.546 0.465) 9.932 4.979 ( -8.524 -1.163 -11.411) 14.291 5.027 ( -15.334 -0.807 5.223) 16.220 5.636 ( -9.344 15.531 -10.382) 20.888 5.779 ( -11.119 4.301 0.555) 11.935 6.026 ( 1.067 -4.423 -5.114) 6.845 6.150 ( -6.676 -7.058 13.819) 16.892 6.259 ( 1.723 -4.345 7.667) 8.980 6.512 ( -0.220 -7.876 13.371) 15.520 6.740 ( 8.452 1.213 4.265) 9.545 7.264 ( -9.407 -3.191 1.413) 10.033 7.655 ( 5.188 2.600 -3.615) 6.837 7.940 ( 5.340 -9.431 -5.721) 12.256 8.210 ( 6.322 9.352 1.003) 11.333 8.460 ( 0.968 -5.467 3.263) 6.440 8.532 ( 16.106 5.356 13.125) 21.456 8.751 ( 3.501 11.678 -4.309) 12.930 8.844 ( -3.044 -5.523 -7.730) 9.977 9.204 ( -0.923 3.673 8.581) 9.379 9.357 ( 7.311 1.013 4.474) 8.631 9.698 ( 9.203 7.687 -3.103) 12.385 9.842 ( -17.788 -1.296 -4.165) 18.315 10.291 ( 0.739 9.868 3.450) 10.479 10.667 ( 2.697 1.157 -0.149) 2.939 10.896 ( -1.320 -2.798 -3.868) 4.953 11.024 ( 3.316 3.168 -0.057) 4.586 11.159 ( -7.208 -7.021 -7.135) 12.335 11.270 ( -2.728 -3.567 5.367) 6.998 11.694 ( 4.053 6.855 -2.651) 8.393 11.736 ( -1.613 -1.541 -5.447) 5.886 11.842 ( -2.590 2.412 -4.504) 5.728 12.134 ( 0.547 9.181 -0.384) 9.205 12.207 ( -7.585 0.260 -3.084) 8.192 12.528 ( 6.629 -7.215 -0.823) 9.833 12.826 ( -1.659 -1.490 5.969) 6.372 13.107 ( -10.845 -2.692 10.522) 15.348 13.254 ( 1.645 2.819 -1.120) 3.451 13.614 ( 0.085 -12.047 4.020) 12.700 13.928 ( 0.929 -13.358 12.448) 18.283 14.246 ( -3.449 -4.921 4.551) 7.538 14.295 ( 4.012 -5.643 -2.093) 7.233 14.493 ( -4.608 0.120 1.771) 4.938 15.048 ( -6.945 -1.437 -1.995) 7.367 15.244 ( -3.833 14.406 0.225) 14.909 16.091 ( 10.474 22.467 -6.203) 25.553 16.806 ( 2.236 20.344 -3.485) 20.761 17.457 ( -4.098 -15.305 11.755) 19.729 17.567 ( 4.702 2.787 -5.283) 7.602 17.991 ( 22.920 1.349 -12.256) 26.026 18.428 ( 13.576 14.333 -9.846) 22.061 18.754 ( -5.204 -1.417 5.702) 7.848 19.473 ( 8.589 -6.269 2.525) 10.929 20.161 ( -6.070 1.597 17.271) 18.376 20.519 ( -3.813 -2.908 0.635) 4.837 21.199 ( 3.425 -8.340 0.999) 9.071 23.204 ( -39.322 55.770 -80.501) 105.531 24.639 ( 47.097 3.410 45.667) 65.690 25.503 ( -3.793 -4.310 -9.628) 11.210 25.627 ( 3.305 -3.414 5.603) 7.346 27.886 ( -2.530 -0.523 5.628) 6.193 28.454 ( 0.466 -2.147 2.045) 3.001 ======================= Grid point 97 (45/128) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.925 19.972 7.747) 21.442 1.197 ( 6.125 13.171 24.247) 28.265 1.798 ( 1.754 -4.820 9.661) 10.938 2.084 ( 4.543 -10.704 -9.023) 14.718 2.324 ( 2.123 35.859 3.698) 36.112 2.745 ( -0.669 11.707 -2.075) 11.908 2.776 ( -1.266 2.305 -2.451) 3.595 3.038 ( -5.837 8.555 -11.492) 15.470 3.177 ( 0.933 27.105 -5.714) 27.716 3.206 ( 3.112 14.345 -8.215) 16.821 3.449 ( 2.929 2.503 -6.580) 7.625 3.833 ( 3.957 10.083 4.195) 11.615 4.025 ( -0.166 17.581 -2.088) 17.706 4.109 ( 10.209 15.886 -6.660) 20.024 4.317 ( 7.861 0.665 -4.017) 8.853 4.456 ( 2.148 4.054 -3.323) 5.665 4.670 ( -5.741 3.920 6.328) 9.401 4.751 ( -12.600 2.537 5.201) 13.865 4.863 ( -3.340 -1.038 -2.876) 4.528 5.092 ( 5.644 0.896 -11.032) 12.424 5.566 ( 0.080 -7.412 -4.135) 8.488 5.717 ( -2.652 -2.669 -0.027) 3.763 5.865 ( -7.333 -0.256 -0.756) 7.376 6.037 ( 1.338 -3.447 5.163) 6.351 6.217 ( -2.879 2.613 6.719) 7.763 6.438 ( -0.818 -0.585 8.525) 8.584 6.917 ( 8.492 -1.652 1.649) 8.807 6.978 ( -9.519 -2.016 3.224) 10.250 7.632 ( 2.724 -6.352 -5.398) 8.770 7.838 ( -0.829 -8.466 1.077) 8.574 8.181 ( 1.056 -4.091 -1.374) 4.443 8.382 ( 0.258 -11.473 -3.759) 12.075 8.728 ( 2.800 0.457 1.907) 3.418 8.840 ( 1.854 2.023 -1.660) 3.207 8.968 ( -6.546 10.569 2.992) 12.786 9.333 ( -2.248 -3.348 4.456) 6.010 9.348 ( 0.060 -7.340 6.531) 9.825 9.552 ( 13.695 -7.965 8.421) 17.942 9.916 ( -4.222 11.035 -7.508) 13.999 10.400 ( 0.180 -9.815 1.856) 9.991 10.610 ( -3.244 5.647 0.498) 6.532 10.829 ( 0.087 -3.810 0.171) 3.815 11.004 ( 3.570 -5.284 -0.947) 6.447 11.259 ( 0.367 8.873 -2.844) 9.325 11.424 ( 9.652 2.209 -6.263) 11.716 11.629 ( -6.847 2.430 -0.767) 7.306 11.814 ( -3.460 4.302 -9.029) 10.584 11.880 ( 4.900 3.171 1.877) 6.131 12.145 ( -3.588 5.816 -0.595) 6.860 12.342 ( -0.287 9.882 -0.274) 9.890 12.505 ( 5.402 -6.936 0.720) 8.821 12.705 ( -4.880 -1.710 -1.552) 5.399 12.897 ( -7.585 2.066 19.105) 20.659 13.233 ( -4.125 -0.375 2.394) 4.784 13.440 ( -1.811 -4.980 0.202) 5.302 13.727 ( -0.120 -9.360 6.920) 11.641 14.030 ( -2.815 -7.343 2.020) 8.120 14.224 ( 2.359 -8.023 -0.826) 8.404 14.530 ( 3.805 -0.604 0.706) 3.917 14.769 ( -4.232 -7.204 0.684) 8.383 15.579 ( -0.235 22.149 -0.641) 22.159 16.635 ( 5.768 -3.956 -6.610) 9.623 17.192 ( -2.958 34.969 -2.661) 35.194 17.334 ( -6.934 17.234 3.995) 19.001 17.721 ( 6.915 1.051 -8.975) 11.379 18.349 ( 5.557 6.856 -1.255) 8.914 18.575 ( -5.711 -3.212 6.585) 9.290 18.886 ( 4.168 1.837 -14.912) 15.592 19.537 ( -1.822 5.960 5.111) 8.060 19.908 ( -8.316 5.342 5.085) 11.115 20.382 ( -0.544 -6.485 0.542) 6.530 21.004 ( 0.695 -15.836 3.024) 16.137 23.368 ( -34.586 52.681 -57.991) 85.641 25.126 ( -5.909 -15.464 -12.994) 21.045 25.656 ( 8.984 -3.121 8.408) 12.695 25.821 ( 40.317 -17.319 31.586) 54.065 27.857 ( -1.425 4.595 0.934) 4.901 28.379 ( 0.620 -6.951 2.673) 7.473 ======================= Grid point 98 (46/128) ======================= q-point: ( 0.10 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 10.007 19.585 -2.123) 22.096 1.581 ( 19.676 9.820 18.480) 28.724 1.869 ( 5.200 -3.258 5.140) 8.004 2.230 ( 9.267 -5.950 -3.826) 11.659 2.447 ( 9.828 28.492 4.658) 30.497 2.702 ( -5.070 5.307 -2.988) 7.924 2.726 ( -3.113 2.562 -3.819) 5.554 2.914 ( -3.948 7.642 -7.379) 11.332 3.157 ( -2.510 15.585 -10.221) 18.806 3.205 ( -1.533 34.014 -1.316) 34.074 3.506 ( 3.287 1.666 -1.668) 4.045 3.785 ( -8.448 9.005 0.212) 12.349 3.982 ( -3.894 28.613 -3.413) 29.078 4.320 ( 6.169 3.878 -1.566) 7.453 4.374 ( -3.662 3.016 0.291) 4.753 4.441 ( -8.224 2.297 -0.737) 8.570 4.526 ( 2.949 5.307 1.377) 6.226 4.618 ( -1.825 2.519 -2.571) 4.036 4.845 ( 2.304 -2.693 -1.282) 3.769 5.199 ( 6.941 3.902 -7.378) 10.855 5.602 ( 0.944 -4.766 -4.447) 6.587 5.733 ( 5.482 1.743 -2.012) 6.095 5.803 ( 1.027 -4.756 1.468) 5.082 6.054 ( 0.188 -1.166 4.918) 5.058 6.164 ( -4.350 -5.618 6.773) 9.816 6.418 ( -1.470 -0.204 6.798) 6.958 6.851 ( -3.077 3.386 1.433) 4.794 7.117 ( 11.297 -5.466 1.465) 12.635 7.688 ( 3.364 -6.722 -3.577) 8.324 7.814 ( -1.203 -6.526 0.173) 6.638 8.207 ( 1.464 -1.402 -0.199) 2.037 8.387 ( 1.422 -9.226 -1.811) 9.509 8.614 ( -15.228 13.275 5.300) 20.886 8.715 ( -4.526 -1.994 2.379) 5.488 8.985 ( 3.162 1.724 -0.077) 3.602 9.229 ( -4.563 -8.456 8.658) 12.934 9.370 ( 1.513 2.275 1.726) 3.231 9.820 ( -4.923 12.786 -8.601) 16.177 10.017 ( 20.453 -11.721 8.796) 25.161 10.334 ( -3.211 -8.562 -1.136) 9.215 10.615 ( 1.973 2.515 -1.135) 3.392 10.828 ( -2.051 0.570 0.091) 2.131 11.040 ( 1.369 -2.929 -1.219) 3.455 11.317 ( 5.570 2.777 1.150) 6.329 11.426 ( -7.897 7.903 -1.897) 11.333 11.515 ( -1.889 -5.804 -4.257) 7.441 11.791 ( 1.387 6.980 -11.691) 13.687 11.978 ( 2.978 3.615 -4.331) 6.379 12.101 ( 0.052 9.552 5.631) 11.089 12.294 ( -4.953 11.063 1.096) 12.170 12.555 ( -3.519 -2.607 -1.651) 4.680 12.675 ( 3.703 -5.260 -1.471) 6.599 12.885 ( 5.777 -2.701 14.374) 15.725 13.165 ( -1.755 -0.745 0.222) 1.919 13.396 ( -3.347 -6.410 -0.540) 7.252 13.709 ( -1.407 -9.692 6.422) 11.711 13.982 ( -2.378 -5.648 -0.370) 6.139 14.237 ( -0.941 -7.846 1.300) 8.008 14.566 ( -0.165 -1.548 2.628) 3.055 14.784 ( 5.166 -6.796 -2.726) 8.961 15.618 ( 4.386 20.869 -0.851) 21.342 16.717 ( 1.612 -14.568 -1.372) 14.721 17.030 ( -9.649 52.677 -5.919) 53.879 17.291 ( 1.179 21.338 -0.157) 21.371 17.841 ( 5.200 1.499 -4.570) 7.083 18.331 ( -5.904 5.797 1.529) 8.414 18.485 ( -3.916 -2.854 4.213) 6.421 18.798 ( -9.973 12.409 -17.006) 23.294 19.227 ( -17.262 6.727 8.746) 20.488 20.049 ( 9.828 4.090 5.945) 12.192 20.398 ( 1.762 -6.907 -0.024) 7.128 21.002 ( -0.968 -14.542 3.225) 14.927 22.901 ( -8.044 53.187 -31.565) 62.369 24.998 ( -4.539 -18.777 -12.009) 22.746 25.766 ( 2.919 -0.028 3.505) 4.562 26.241 ( -1.990 -23.102 13.301) 26.732 27.927 ( 7.808 0.301 5.724) 9.686 28.399 ( 1.081 -6.752 2.856) 7.411 ======================= Grid point 99 (47/128) ======================= q-point: ( 0.20 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 21.838 13.222 -12.827) 28.570 1.868 ( 8.233 0.690 0.317) 8.267 2.016 ( 9.348 12.040 8.038) 17.233 2.391 ( 6.870 0.643 -1.623) 7.089 2.490 ( -9.633 0.999 -10.172) 14.045 2.617 ( -2.655 1.007 -5.406) 6.106 2.754 ( 8.072 8.410 0.122) 11.658 2.920 ( 4.685 8.359 5.422) 11.010 3.090 ( -1.426 13.389 -3.477) 13.906 3.184 ( -0.517 38.349 -1.530) 38.383 3.496 ( -8.552 3.818 -5.014) 10.623 3.589 ( -7.514 14.747 -5.374) 17.402 3.882 ( -3.813 26.385 -0.534) 26.665 4.155 ( -11.643 8.882 11.297) 18.495 4.301 ( -6.630 0.541 2.232) 7.017 4.411 ( 1.070 3.142 9.311) 9.885 4.632 ( 2.472 2.234 -9.812) 10.362 4.649 ( 5.946 3.557 -6.702) 9.640 4.955 ( 9.007 -7.884 -6.931) 13.832 5.341 ( 6.600 4.317 3.132) 8.485 5.617 ( 2.176 -2.554 -3.495) 4.844 5.843 ( 3.269 -1.779 1.046) 3.866 5.864 ( 3.729 0.073 0.768) 3.808 6.056 ( -5.705 -1.785 3.244) 6.801 6.067 ( 1.298 -9.049 2.820) 9.567 6.401 ( -1.138 -1.439 6.499) 6.753 6.860 ( 3.705 8.819 -1.161) 9.636 7.328 ( 9.626 -6.347 1.661) 11.649 7.757 ( 3.409 -4.620 0.052) 5.742 7.816 ( 2.394 -1.786 -1.941) 3.563 8.214 ( -2.321 0.581 6.779) 7.189 8.419 ( -1.417 6.702 -0.153) 6.851 8.464 ( 3.789 -0.974 3.988) 5.586 8.568 ( -9.310 -2.483 0.747) 9.664 9.040 ( 2.595 -2.732 -2.579) 4.566 9.178 ( -2.334 -3.462 6.706) 7.900 9.358 ( -2.958 8.417 3.504) 9.585 9.661 ( -8.898 13.071 -6.070) 16.937 10.241 ( 4.400 -10.287 6.020) 12.705 10.366 ( 1.457 -7.210 -8.371) 11.143 10.640 ( 0.795 2.256 -1.301) 2.722 10.735 ( -5.200 6.141 1.258) 8.144 11.132 ( 8.367 -0.304 1.268) 8.468 11.316 ( -3.057 0.869 -3.429) 4.676 11.443 ( -0.845 -5.747 3.532) 6.798 11.475 ( 5.745 1.321 -3.132) 6.675 11.792 ( -0.795 8.448 -11.447) 14.249 12.016 ( 0.038 10.875 -2.991) 11.279 12.133 ( 3.440 -0.706 -1.680) 3.893 12.180 ( -4.365 11.140 6.274) 13.509 12.494 ( -1.777 2.913 -7.857) 8.566 12.683 ( -2.533 2.271 1.882) 3.888 13.026 ( 2.858 -10.885 5.875) 12.695 13.219 ( 5.637 -6.748 0.394) 8.802 13.319 ( -1.916 -3.791 0.899) 4.342 13.701 ( -0.108 -11.087 5.223) 12.256 13.945 ( -0.846 -4.595 -2.724) 5.409 14.203 ( -2.035 -8.241 2.780) 8.932 14.603 ( 4.573 -1.653 0.830) 4.933 14.875 ( 3.710 -8.080 -3.302) 9.484 15.746 ( 8.426 17.073 -1.177) 19.076 16.659 ( -5.094 6.449 6.164) 10.273 16.933 ( -1.035 44.772 -13.482) 46.769 17.349 ( 5.019 17.850 0.921) 18.565 17.879 ( -1.723 5.381 6.747) 8.800 18.208 ( -5.737 6.368 3.796) 9.375 18.445 ( 0.802 -3.785 -4.970) 6.299 18.609 ( -7.203 16.140 -11.417) 21.041 18.945 ( -14.181 3.286 8.723) 16.971 20.135 ( -1.595 7.308 8.792) 11.544 20.445 ( 3.172 -9.616 -0.387) 10.133 20.969 ( -2.960 -14.178 2.215) 14.652 22.939 ( 10.932 40.012 -12.281) 43.258 24.948 ( 0.336 -19.377 -7.567) 20.805 25.763 ( -5.291 -1.427 -1.426) 5.662 25.983 ( -17.064 -7.284 -0.550) 18.561 28.060 ( 3.449 -3.595 8.994) 10.282 28.419 ( 0.508 -6.193 2.517) 6.704 ======================= Grid point 100 (48/128) ======================= q-point: ( 0.30 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 22.945 7.518 -14.982) 28.415 1.950 ( 2.062 1.492 -9.564) 9.896 2.142 ( -0.344 13.402 -5.184) 14.373 2.372 ( 3.177 6.152 1.761) 7.144 2.472 ( -0.203 0.082 -3.990) 3.996 2.566 ( 0.736 0.516 -1.603) 1.838 2.816 ( -1.380 1.952 -4.069) 4.719 2.927 ( -3.247 3.404 -2.575) 5.363 3.169 ( -2.827 20.466 -7.495) 21.978 3.185 ( -0.743 7.948 -3.468) 8.704 3.266 ( -6.205 26.836 1.462) 27.582 3.518 ( 4.194 21.642 -4.649) 22.529 3.845 ( -2.469 24.476 4.842) 25.072 3.999 ( -4.653 4.426 15.792) 17.048 4.153 ( -7.564 6.513 4.072) 10.780 4.460 ( 2.529 3.436 6.890) 8.104 4.636 ( -0.858 0.446 -10.539) 10.583 4.739 ( 3.449 0.892 -7.217) 8.048 5.124 ( 7.511 -11.780 -5.876) 15.157 5.422 ( 1.161 2.560 12.815) 13.120 5.674 ( 2.858 -3.521 -1.872) 4.906 5.839 ( -5.150 -6.605 1.864) 8.581 5.889 ( 2.238 6.059 1.938) 6.744 6.014 ( 1.267 -1.060 -1.243) 2.067 6.134 ( 4.496 -7.249 0.119) 8.530 6.372 ( -2.439 -2.987 6.522) 7.577 6.980 ( 8.422 11.748 -2.287) 14.635 7.477 ( 5.211 -3.433 2.098) 6.583 7.800 ( 1.595 -3.095 1.562) 3.816 7.910 ( 5.741 1.269 -1.545) 6.079 8.129 ( -6.204 5.242 10.897) 13.591 8.391 ( -6.343 -0.423 0.788) 6.406 8.467 ( 4.392 1.314 -1.534) 4.834 8.602 ( 8.016 -2.391 -0.082) 8.366 9.054 ( -2.019 0.203 -0.520) 2.095 9.146 ( 0.277 6.362 -0.245) 6.373 9.298 ( -3.016 5.270 4.604) 7.621 9.529 ( -3.787 11.704 -1.391) 12.380 10.232 ( -7.821 -8.474 -5.244) 12.668 10.330 ( 0.898 -9.031 -3.235) 9.635 10.637 ( -2.152 6.963 4.757) 8.703 10.697 ( 1.535 2.841 -2.893) 4.335 11.241 ( -4.503 -5.394 -1.761) 7.244 11.286 ( 4.038 4.988 0.780) 6.464 11.438 ( 3.060 -2.113 -0.146) 3.721 11.623 ( 7.382 0.978 -3.291) 8.141 11.752 ( -1.922 10.412 -8.575) 13.625 11.959 ( -2.706 7.820 1.225) 8.365 12.137 ( -0.670 11.353 7.812) 13.797 12.278 ( 8.157 -4.847 -5.004) 10.727 12.458 ( -1.066 6.989 -12.887) 14.699 12.616 ( -3.372 6.287 -1.343) 7.259 12.998 ( -5.230 -8.038 0.000) 9.590 13.233 ( 0.458 -12.332 3.538) 12.838 13.396 ( 3.584 -5.398 3.372) 7.304 13.696 ( -1.100 -10.787 4.089) 11.588 13.953 ( 1.733 -2.436 -2.263) 3.749 14.199 ( 2.160 -8.228 1.039) 8.570 14.719 ( 5.823 -5.704 -1.038) 8.217 14.949 ( 5.269 -8.071 -2.084) 9.862 15.917 ( 9.000 15.835 -1.357) 18.265 16.619 ( 0.008 20.699 4.620) 21.208 16.883 ( -3.437 39.969 -7.094) 40.739 17.493 ( 9.401 9.693 1.633) 13.601 17.812 ( -5.008 6.904 9.094) 12.468 18.109 ( -5.434 7.265 9.152) 12.887 18.476 ( -2.505 9.381 -7.544) 12.296 18.520 ( 2.697 -3.917 -9.087) 10.256 18.680 ( -12.776 10.071 7.199) 17.790 20.042 ( -7.595 10.032 9.073) 15.513 20.513 ( 3.523 -11.894 -0.008) 12.405 20.888 ( -5.261 -14.598 0.241) 15.519 23.199 ( 14.297 29.337 -1.917) 32.692 24.986 ( 3.422 -18.189 -2.974) 18.746 25.462 ( -18.897 3.203 -8.967) 21.160 25.834 ( -1.882 -3.792 -1.734) 4.575 28.070 ( -2.637 -2.169 6.805) 7.613 28.415 ( -1.141 -5.600 1.661) 5.951 ======================= Grid point 101 (49/128) ======================= q-point: ( 0.40 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.435 2.698 -13.097) 13.379 2.110 ( 3.540 8.305 -2.388) 9.339 2.227 ( 13.473 1.376 -18.459) 22.895 2.442 ( 1.181 9.367 0.533) 9.456 2.493 ( 3.963 0.445 -2.494) 4.703 2.602 ( 1.035 3.971 -1.538) 4.383 2.717 ( -5.300 2.023 -7.318) 9.259 2.908 ( 1.803 7.073 -3.830) 8.243 3.007 ( -6.593 8.348 -7.970) 13.293 3.069 ( -9.565 7.027 -8.048) 14.341 3.217 ( -1.115 41.457 0.284) 41.473 3.681 ( 4.981 6.501 3.959) 9.096 3.755 ( -5.994 25.257 8.966) 27.464 3.991 ( -1.150 4.373 7.585) 8.830 4.098 ( 5.651 15.813 4.598) 17.411 4.494 ( -0.469 3.719 5.153) 6.372 4.580 ( -3.896 -1.234 -6.102) 7.345 4.756 ( -0.936 0.479 -9.940) 9.995 5.228 ( 4.239 -12.170 -3.347) 13.315 5.426 ( -1.714 0.329 12.929) 13.046 5.704 ( 0.559 -4.504 2.301) 5.088 5.749 ( -3.775 -6.645 3.562) 8.432 5.951 ( 3.558 6.459 -0.142) 7.376 6.055 ( 2.893 -1.278 0.697) 3.239 6.212 ( 3.169 -5.962 -0.004) 6.752 6.328 ( -2.203 -4.184 4.598) 6.596 7.166 ( 10.395 10.465 -2.001) 14.886 7.521 ( -0.986 5.329 1.888) 5.739 7.820 ( -0.283 -3.472 3.097) 4.661 7.987 ( 0.174 -1.180 0.334) 1.239 8.011 ( -4.370 5.583 6.095) 9.350 8.327 ( -0.568 5.773 1.156) 5.914 8.561 ( 4.627 -3.447 0.231) 5.774 8.738 ( 5.008 -5.729 -2.273) 7.941 9.012 ( -0.238 14.583 -1.857) 14.703 9.187 ( 2.824 4.147 -0.841) 5.087 9.249 ( -2.047 3.877 2.877) 5.244 9.484 ( -2.579 12.225 1.913) 12.640 10.089 ( -3.747 -8.241 -6.702) 11.264 10.332 ( -1.187 -10.996 -1.147) 11.120 10.595 ( -1.881 8.711 5.645) 10.550 10.745 ( 3.207 -1.698 -2.780) 4.571 11.160 ( -3.183 -4.305 -0.859) 5.422 11.288 ( -1.843 9.934 0.484) 10.115 11.500 ( 1.072 -3.927 -0.126) 4.072 11.722 ( 0.930 12.431 -3.569) 12.967 11.743 ( 4.383 2.505 -7.961) 9.427 11.974 ( 3.668 5.617 -1.267) 6.827 12.119 ( -2.258 10.715 7.060) 13.029 12.309 ( -5.090 -3.148 -3.064) 6.723 12.509 ( 6.700 11.434 -13.537) 18.944 12.582 ( 0.935 0.456 -5.294) 5.395 12.881 ( -5.479 -8.782 -2.147) 10.571 13.253 ( 0.697 -15.205 1.135) 15.263 13.423 ( -0.236 -5.947 5.322) 7.984 13.674 ( -1.218 -8.871 4.875) 10.195 14.002 ( 3.098 0.392 1.518) 3.472 14.275 ( 4.747 -7.294 -1.549) 8.839 14.792 ( 2.224 -6.847 -1.838) 7.430 15.066 ( 5.263 -13.257 -1.891) 14.388 16.105 ( 10.714 18.263 -1.394) 21.220 16.592 ( -4.991 15.390 3.030) 16.461 16.817 ( -2.133 51.821 -1.446) 51.885 17.684 ( 7.314 1.911 4.550) 8.823 17.728 ( -2.655 5.000 6.359) 8.514 18.020 ( -3.554 10.350 7.404) 13.213 18.358 ( -11.904 2.353 3.729) 12.694 18.462 ( -1.742 18.834 -0.637) 18.925 18.655 ( 5.710 -4.568 -8.235) 11.013 19.898 ( -6.948 11.616 8.680) 16.079 20.573 ( 2.325 -10.034 0.085) 10.300 20.787 ( -4.244 -17.896 -1.057) 18.423 23.428 ( 8.202 24.023 1.440) 25.425 25.050 ( 2.341 -16.148 -0.201) 16.318 25.176 ( -8.029 8.256 -8.583) 14.363 25.816 ( -0.187 -6.371 -2.435) 6.823 27.995 ( -4.823 -0.095 2.981) 5.671 28.383 ( -1.901 -5.334 0.539) 5.688 ======================= Grid point 102 (50/128) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 4.391 2.803 -8.229) 9.739 2.178 ( 1.617 1.449 -2.656) 3.431 2.324 ( 0.019 6.810 -7.897) 10.428 2.401 ( -1.215 2.856 -10.352) 10.807 2.550 ( -2.547 2.588 -13.453) 13.935 2.638 ( -5.153 6.146 -5.104) 9.507 2.696 ( 11.079 1.369 -3.765) 11.781 2.847 ( -6.499 6.380 -3.570) 9.782 2.897 ( -3.830 6.959 -11.610) 14.068 3.039 ( 6.094 13.332 -1.222) 14.709 3.196 ( -0.937 39.951 0.805) 39.970 3.614 ( -5.160 12.645 11.369) 17.770 3.766 ( 2.239 10.680 9.785) 14.656 3.958 ( -1.088 19.499 1.163) 19.564 4.247 ( 1.381 3.619 -3.040) 4.924 4.389 ( -7.411 6.126 0.590) 9.633 4.550 ( 0.471 -0.221 4.244) 4.276 4.718 ( 0.025 3.254 -12.341) 12.763 5.299 ( 3.267 -12.216 -2.043) 12.809 5.378 ( -4.401 -1.165 8.243) 9.416 5.696 ( -2.444 -5.076 7.346) 9.258 5.714 ( 0.767 -6.992 1.821) 7.266 6.021 ( 4.030 5.091 3.504) 7.378 6.133 ( 4.692 -0.921 2.892) 5.588 6.243 ( -0.254 -3.647 1.184) 3.843 6.312 ( 0.378 -6.999 1.792) 7.234 7.344 ( 6.006 4.778 -1.399) 7.801 7.451 ( -4.881 17.886 0.913) 18.563 7.781 ( -3.965 -4.020 5.729) 8.044 7.911 ( -2.149 6.819 0.529) 7.169 8.018 ( -0.080 -5.758 0.517) 5.782 8.332 ( 0.335 6.523 1.954) 6.817 8.624 ( 1.017 -4.190 0.892) 4.403 8.785 ( 0.876 -6.108 -0.533) 6.194 9.065 ( 4.451 8.819 -3.272) 10.407 9.206 ( 0.993 12.275 1.719) 12.434 9.247 ( -0.429 0.956 -1.760) 2.048 9.388 ( -6.372 17.449 1.439) 18.631 10.123 ( 6.840 -7.516 -0.690) 10.186 10.285 ( -2.973 -11.061 -3.035) 11.849 10.589 ( 0.819 8.943 4.853) 10.208 10.811 ( 3.480 -5.167 0.367) 6.241 11.127 ( -0.035 -4.102 -1.778) 4.471 11.252 ( -1.535 11.609 0.925) 11.746 11.480 ( -2.247 -1.468 -1.084) 2.894 11.763 ( 3.851 11.607 -1.497) 12.321 11.811 ( 2.476 2.661 -8.265) 9.029 11.998 ( -3.335 4.248 -1.063) 5.504 12.080 ( -3.029 12.140 -0.679) 12.531 12.192 ( -3.212 2.841 -1.766) 4.638 12.543 ( -0.541 -2.764 -8.537) 8.989 12.676 ( 6.434 4.322 -8.414) 11.440 12.812 ( -1.170 -10.383 -2.189) 10.676 13.265 ( 1.127 -13.304 -2.189) 13.530 13.430 ( 0.735 -6.469 7.377) 9.839 13.659 ( -0.916 -7.619 5.608) 9.504 14.063 ( 2.590 1.569 4.205) 5.182 14.356 ( 3.370 -6.307 -1.200) 7.251 14.820 ( 0.873 -7.534 -1.139) 7.670 15.105 ( -1.162 -15.771 -3.253) 16.145 16.276 ( 2.202 14.523 -2.090) 14.837 16.465 ( -3.575 21.739 2.467) 22.168 16.783 ( -1.738 49.459 0.723) 49.494 17.643 ( -4.752 0.191 5.797) 7.498 17.790 ( 0.995 7.182 6.274) 9.588 18.025 ( -0.246 6.609 1.759) 6.843 18.143 ( -5.436 16.883 4.086) 18.201 18.487 ( 3.655 8.252 -0.033) 9.026 18.749 ( 4.225 -5.773 -4.915) 8.679 19.823 ( -0.901 12.915 8.526) 15.502 20.587 ( -0.765 -5.722 -0.881) 5.840 20.751 ( 0.706 -22.338 -0.458) 22.353 23.507 ( 0.424 23.308 1.207) 23.343 25.061 ( 1.477 0.276 -4.353) 4.605 25.146 ( 1.934 -6.254 -0.372) 6.557 25.810 ( -0.616 -7.170 -2.750) 7.704 27.909 ( -3.677 1.518 -0.085) 3.979 28.354 ( -0.953 -5.521 -0.318) 5.612 ======================= Grid point 103 (51/128) ======================= q-point: (-0.40 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -8.681 3.735 -14.131) 17.000 2.121 ( -2.427 0.477 -2.696) 3.658 2.298 ( 0.307 9.268 -11.550) 14.812 2.403 ( -2.131 7.253 -5.281) 9.222 2.445 ( -6.606 5.637 2.060) 8.925 2.600 ( 0.177 -0.445 -8.423) 8.436 2.708 ( 3.000 -1.073 -17.782) 18.065 2.830 ( 1.042 -2.231 -5.159) 5.716 2.950 ( 6.712 14.899 -6.045) 17.423 3.100 ( -1.162 11.013 -0.364) 11.080 3.196 ( 1.439 39.760 0.304) 39.788 3.609 ( 3.566 11.287 10.257) 15.663 3.833 ( 3.303 11.871 9.672) 15.664 3.948 ( -4.409 21.159 7.682) 22.938 4.040 ( -10.979 5.420 -0.928) 12.279 4.330 ( -2.517 4.826 -6.964) 8.839 4.537 ( -1.283 3.093 -6.860) 7.634 4.793 ( 6.362 1.886 -3.737) 7.615 5.261 ( -7.895 -1.987 2.818) 8.615 5.340 ( 0.686 -11.266 0.653) 11.306 5.672 ( -0.237 -6.141 5.835) 8.474 5.752 ( 3.047 -7.436 1.982) 8.277 6.119 ( 4.961 2.880 4.516) 7.301 6.208 ( -0.181 -2.566 8.222) 8.615 6.237 ( 2.468 0.900 1.193) 2.885 6.327 ( 0.715 -9.786 2.041) 10.022 7.240 ( -11.305 20.352 -0.824) 23.295 7.468 ( 1.131 5.555 0.389) 5.683 7.712 ( -2.866 -3.862 2.837) 5.583 7.920 ( 2.784 5.523 0.639) 6.218 7.998 ( -2.030 -4.169 0.825) 4.710 8.341 ( 0.632 1.011 1.709) 2.084 8.590 ( -4.103 -2.744 0.947) 5.026 8.781 ( -2.429 -6.451 0.221) 6.897 9.085 ( -2.176 -4.552 -0.642) 5.086 9.164 ( -4.680 4.082 -1.226) 6.330 9.276 ( 1.187 17.453 4.182) 17.986 9.372 ( 7.872 22.216 -2.894) 23.746 10.200 ( -3.013 -10.219 -2.644) 10.977 10.319 ( 9.518 -2.742 0.961) 9.952 10.630 ( 2.641 7.941 3.451) 9.052 10.863 ( 1.205 -7.030 2.849) 7.680 11.150 ( 2.339 -5.816 -2.684) 6.819 11.239 ( 0.108 9.286 -1.207) 9.365 11.433 ( -2.147 2.398 -3.130) 4.490 11.770 ( -7.313 5.673 -4.306) 10.208 11.848 ( 3.245 10.045 0.410) 10.564 11.923 ( -4.302 7.278 -4.395) 9.528 11.964 ( -1.533 2.495 -0.072) 2.929 12.216 ( 2.627 3.613 -4.301) 6.201 12.507 ( -2.295 -7.563 -8.035) 11.270 12.764 ( 2.758 6.094 -3.961) 7.774 12.835 ( 3.982 -10.482 -3.214) 11.664 13.315 ( 4.183 -9.644 -0.853) 10.547 13.464 ( 1.961 -6.854 7.760) 10.537 13.639 ( -1.751 -6.408 5.159) 8.411 14.098 ( 0.377 0.601 4.516) 4.572 14.389 ( -0.383 -5.972 1.482) 6.165 14.820 ( -1.232 -9.025 -0.197) 9.110 15.033 ( -5.086 -13.483 -3.824) 14.909 16.125 ( -11.421 14.913 -0.618) 18.794 16.506 ( 1.556 29.312 -0.518) 29.358 16.780 ( 2.634 31.348 0.021) 31.459 17.531 ( -6.728 1.059 2.613) 7.294 17.807 ( -0.120 11.125 4.876) 12.147 17.889 ( -7.067 12.678 1.513) 14.593 18.231 ( 7.647 19.723 -0.467) 21.159 18.605 ( 8.544 -0.276 3.158) 9.113 18.805 ( 1.814 -5.873 -1.341) 6.292 19.884 ( 5.996 12.490 8.879) 16.456 20.567 ( -0.850 -6.710 -0.097) 6.764 20.786 ( 2.372 -20.116 -0.879) 20.275 23.489 ( -1.200 25.797 3.800) 26.103 25.115 ( 3.572 2.974 -8.283) 9.498 25.183 ( 1.606 -9.928 1.238) 10.133 25.775 ( -2.871 -6.512 -4.254) 8.291 27.865 ( -0.757 2.434 -0.473) 2.593 28.349 ( 0.371 -5.919 -0.493) 5.951 ======================= Grid point 104 (52/128) ======================= q-point: (-0.30 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -23.015 9.133 -20.847) 32.368 2.048 ( -6.931 0.769 -1.479) 7.129 2.227 ( -11.918 12.077 0.866) 16.990 2.292 ( -4.763 -1.166 -4.162) 6.432 2.427 ( 4.934 5.560 -9.545) 12.098 2.601 ( 4.538 6.188 -4.578) 8.935 2.887 ( 5.919 -3.994 -8.489) 11.093 2.902 ( 9.890 -2.732 -21.775) 24.072 2.992 ( -3.188 15.557 -0.101) 15.880 3.044 ( -0.621 12.402 2.013) 12.579 3.222 ( -0.341 30.099 0.380) 30.103 3.622 ( -8.761 24.066 3.006) 25.787 3.757 ( 1.594 7.326 13.757) 15.667 3.929 ( 3.230 4.262 8.622) 10.146 4.034 ( 1.840 23.113 -1.204) 23.218 4.303 ( 2.056 4.534 -6.657) 8.313 4.532 ( 2.317 4.267 -12.352) 13.272 4.878 ( 1.926 2.297 -0.653) 3.068 5.104 ( -7.372 -1.988 0.317) 7.642 5.316 ( -3.526 -8.832 2.368) 9.800 5.694 ( 1.658 -10.126 -0.429) 10.269 5.828 ( 4.255 -8.052 3.424) 9.730 6.117 ( -4.835 -3.126 2.971) 6.479 6.232 ( -0.511 -2.167 6.374) 6.752 6.303 ( 4.773 3.163 7.991) 9.830 6.356 ( 1.981 -7.338 6.173) 9.791 7.000 ( -12.423 24.961 -2.743) 28.016 7.439 ( -3.501 0.861 1.219) 3.806 7.665 ( -2.524 -5.091 -1.393) 5.851 7.935 ( -4.039 -1.739 1.131) 4.541 8.015 ( 5.849 4.875 4.297) 8.743 8.363 ( 1.630 -4.106 0.430) 4.438 8.490 ( -5.988 -5.385 -1.494) 8.191 8.686 ( -5.106 -1.556 4.125) 6.746 9.010 ( -4.897 -1.011 -1.615) 5.255 9.161 ( 3.981 3.380 -0.608) 5.258 9.276 ( -0.379 6.073 3.789) 7.168 9.585 ( 11.844 24.551 -0.776) 27.269 10.121 ( -4.338 -9.217 -5.214) 11.443 10.496 ( 7.047 8.443 2.215) 11.218 10.681 ( 2.341 3.513 3.372) 5.403 10.849 ( -2.452 -7.241 3.051) 8.231 11.188 ( -0.886 -7.465 -5.720) 9.446 11.229 ( -1.229 -0.133 -1.019) 1.602 11.365 ( -5.228 8.809 -4.489) 11.183 11.613 ( -4.767 1.966 -1.530) 5.379 11.793 ( -2.909 12.050 -6.045) 13.792 11.960 ( 3.848 9.265 3.119) 10.506 12.016 ( 5.180 -6.317 0.308) 8.175 12.239 ( -0.208 -0.330 -5.231) 5.245 12.453 ( -2.185 -3.535 -6.201) 7.465 12.789 ( 0.569 3.315 0.973) 3.501 12.953 ( 8.075 -6.802 -4.680) 11.549 13.384 ( 0.595 -5.244 5.003) 7.272 13.509 ( 1.620 -5.340 8.061) 9.804 13.622 ( 0.956 -7.212 2.562) 7.713 14.086 ( -1.569 -2.742 2.212) 3.856 14.337 ( -5.142 -6.293 5.135) 9.613 14.740 ( -7.196 -7.314 0.240) 10.263 14.956 ( -1.646 -11.026 -2.830) 11.502 15.921 ( -9.250 15.586 -1.105) 18.158 16.482 ( -2.464 27.897 -1.488) 28.045 16.903 ( 9.869 17.979 -2.266) 20.634 17.407 ( -5.594 5.374 -1.902) 7.987 17.755 ( -3.135 9.327 -0.839) 9.875 17.843 ( -0.223 20.205 4.977) 20.810 18.385 ( 8.352 20.019 -4.442) 22.141 18.789 ( 3.947 -4.936 2.115) 6.665 18.847 ( 8.078 -5.803 5.064) 11.161 20.045 ( 8.858 9.501 10.335) 16.600 20.547 ( -1.586 -7.604 1.445) 7.901 20.836 ( 2.897 -16.944 -1.324) 17.241 23.520 ( 5.272 30.415 11.229) 32.847 25.121 ( -3.418 8.740 -24.153) 25.912 25.229 ( 3.603 -15.862 5.958) 17.323 25.688 ( -5.572 -6.077 -7.117) 10.891 27.875 ( 1.389 2.726 2.035) 3.674 28.360 ( 0.668 -6.224 0.113) 6.261 ======================= Grid point 105 (53/128) ======================= q-point: (-0.20 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -21.884 15.054 -17.827) 31.990 1.886 ( -10.430 3.762 3.054) 11.501 1.918 ( -17.004 1.952 6.363) 18.260 2.197 ( -4.598 -4.329 -7.906) 10.118 2.514 ( -3.424 20.112 -7.436) 21.714 2.674 ( 3.884 10.015 -2.181) 10.961 2.835 ( -2.563 5.751 -3.087) 7.013 2.928 ( 1.265 -0.623 -5.031) 5.225 3.048 ( 3.921 21.325 -5.896) 22.470 3.179 ( 11.150 -2.956 -14.806) 18.769 3.217 ( 0.610 19.119 -2.952) 19.355 3.552 ( 2.192 26.522 4.425) 26.978 3.835 ( 3.463 6.113 9.221) 11.593 3.994 ( 4.503 0.690 -1.504) 4.797 4.072 ( 1.942 27.596 0.240) 27.665 4.371 ( 3.587 6.731 0.534) 7.645 4.606 ( 5.297 2.984 -12.222) 13.651 4.893 ( 1.779 4.650 -4.267) 6.557 5.000 ( -3.691 -2.209 1.219) 4.471 5.202 ( -8.467 -5.765 3.797) 10.924 5.706 ( -0.840 -14.211 -5.715) 15.340 5.911 ( 3.553 -9.399 4.737) 11.109 5.992 ( -7.974 -1.028 4.033) 8.995 6.169 ( -5.649 -5.696 6.302) 10.201 6.386 ( 0.439 5.877 7.810) 9.784 6.398 ( 1.530 -2.962 9.741) 10.296 6.798 ( -6.189 19.468 -4.211) 20.857 7.345 ( -6.627 -1.095 2.646) 7.220 7.614 ( -1.898 -4.668 -4.704) 6.893 7.855 ( -3.265 -1.358 1.435) 3.816 8.135 ( 4.772 -0.988 6.660) 8.253 8.369 ( -3.940 -8.212 -2.885) 9.555 8.423 ( 4.792 -1.870 -1.763) 5.438 8.676 ( 3.906 1.879 8.121) 9.205 8.910 ( -4.818 -0.845 -2.938) 5.706 9.248 ( 0.014 -5.104 4.714) 6.948 9.286 ( 4.667 8.491 -0.226) 9.691 9.783 ( 6.920 13.601 -3.214) 15.595 10.029 ( -4.324 0.342 -4.084) 5.958 10.516 ( -5.574 10.221 3.961) 12.298 10.748 ( 3.258 1.901 2.948) 4.787 10.824 ( -0.224 -4.038 1.657) 4.371 11.067 ( -6.546 0.674 0.826) 6.632 11.113 ( -7.894 -8.901 -11.195) 16.336 11.339 ( 0.844 5.160 -1.698) 5.498 11.596 ( 1.588 -3.173 0.042) 3.548 11.787 ( 2.225 11.027 -4.728) 12.202 12.000 ( -0.555 6.846 -1.251) 6.982 12.159 ( 8.565 -7.180 1.406) 11.265 12.207 ( -1.586 -0.288 -2.796) 3.227 12.419 ( -0.982 0.450 -5.015) 5.130 12.797 ( -0.005 0.602 2.658) 2.725 13.109 ( 6.407 -5.236 -0.799) 8.313 13.326 ( -5.141 1.301 8.635) 10.133 13.528 ( -0.708 -2.159 6.273) 6.672 13.664 ( 1.052 -10.186 5.234) 11.500 14.075 ( 1.686 -7.184 -1.782) 7.592 14.220 ( -6.677 -7.141 7.080) 12.071 14.589 ( -7.082 -2.184 0.606) 7.436 14.934 ( -1.499 -11.746 -2.035) 12.015 15.755 ( -7.894 17.967 -1.020) 19.651 16.464 ( 1.485 16.989 -2.729) 17.271 17.127 ( 10.896 14.954 -3.652) 18.859 17.336 ( 0.091 12.099 -4.267) 12.829 17.700 ( -3.446 7.172 0.748) 7.992 17.888 ( 6.539 21.334 -1.043) 22.338 18.544 ( 8.458 17.572 -6.918) 20.692 18.771 ( -2.773 -4.987 3.457) 6.672 19.097 ( 13.432 -6.556 5.106) 15.795 20.198 ( 4.389 2.962 11.309) 12.487 20.504 ( -2.941 -6.257 2.218) 7.261 20.897 ( 3.371 -15.196 0.135) 15.566 23.784 ( 22.199 34.570 17.922) 44.822 24.903 ( -16.680 10.527 -37.461) 42.336 25.330 ( 6.013 -12.952 5.425) 15.275 25.555 ( -6.991 -7.380 -8.718) 13.392 27.905 ( 0.950 2.663 4.710) 5.493 28.369 ( 0.163 -6.400 1.129) 6.501 ======================= Grid point 106 (54/128) ======================= q-point: (-0.10 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -1.942 20.511 0.285) 20.605 1.492 ( -23.288 10.749 15.327) 29.879 1.790 ( -2.479 -6.876 6.103) 9.522 2.098 ( -4.031 -8.448 -10.356) 13.959 2.359 ( -6.124 34.711 1.752) 35.291 2.737 ( 1.695 12.061 -2.501) 12.434 2.806 ( -1.692 3.694 -1.940) 4.502 3.044 ( 8.004 4.446 -11.291) 14.537 3.131 ( 4.434 26.244 -4.199) 26.945 3.178 ( -2.490 12.394 -5.504) 13.787 3.362 ( 7.731 -1.105 -17.898) 19.527 3.681 ( 9.019 18.328 6.329) 21.385 3.915 ( 5.321 4.812 1.288) 7.289 4.083 ( -0.330 27.714 -1.068) 27.736 4.136 ( 9.163 2.535 -2.008) 9.717 4.424 ( 2.004 5.841 -1.364) 6.324 4.678 ( 2.644 3.825 -2.302) 5.188 4.937 ( -3.459 -1.917 0.499) 3.986 4.979 ( 6.672 2.642 -10.243) 12.506 5.002 ( -12.227 -1.901 4.958) 13.330 5.639 ( -5.092 -12.699 -5.754) 14.842 5.822 ( -8.028 -3.848 2.452) 9.234 5.986 ( 2.855 -6.270 3.973) 7.953 6.034 ( -8.409 -3.263 5.304) 10.464 6.306 ( -6.629 11.827 3.940) 14.119 6.430 ( 0.738 -1.481 10.022) 10.157 6.790 ( 4.196 3.829 0.199) 5.684 7.179 ( -10.431 -2.206 3.644) 11.267 7.599 ( 0.890 -4.615 -5.843) 7.499 7.836 ( 0.584 -5.733 1.010) 5.851 8.174 ( -0.071 -6.042 1.257) 6.171 8.357 ( 2.043 -8.930 -1.928) 9.361 8.582 ( 10.305 -0.071 -0.965) 10.350 8.804 ( 1.790 5.633 2.342) 6.358 8.880 ( 8.905 -0.169 5.257) 10.342 9.222 ( -0.708 -2.230 5.948) 6.391 9.375 ( 2.084 -0.103 1.519) 2.581 9.710 ( -13.345 -7.247 -4.535) 15.849 9.998 ( -1.266 16.184 -4.601) 16.873 10.392 ( -3.855 1.077 7.780) 8.749 10.708 ( -5.799 2.465 0.132) 6.302 10.834 ( 1.062 -4.497 0.246) 4.627 10.965 ( -2.307 -6.973 -6.823) 10.025 11.157 ( 10.757 5.122 0.165) 11.915 11.322 ( -1.470 8.487 -2.519) 8.975 11.650 ( 2.914 -5.331 -0.490) 6.095 11.828 ( 1.495 7.421 -1.152) 7.657 11.928 ( -5.661 3.118 -7.224) 9.693 12.187 ( -0.598 2.391 -0.157) 2.470 12.312 ( 4.764 2.362 -0.816) 5.380 12.417 ( 2.454 -3.504 -2.407) 4.908 12.778 ( -2.389 -1.174 1.222) 2.929 13.081 ( -9.698 -0.282 16.288) 18.959 13.284 ( -0.932 1.049 2.060) 2.492 13.486 ( -3.060 -1.983 1.221) 3.845 13.690 ( 2.176 -10.249 8.284) 13.356 14.105 ( -5.218 -8.516 5.770) 11.534 14.151 ( 4.770 -8.587 -2.910) 10.245 14.499 ( -1.665 0.921 0.365) 1.938 14.872 ( -4.837 -11.036 -0.293) 12.053 15.627 ( -4.691 21.295 -0.597) 21.814 16.530 ( 5.146 5.731 -5.190) 9.288 17.207 ( 0.337 24.121 -4.657) 24.569 17.418 ( 2.214 12.181 1.376) 12.457 17.639 ( -0.275 4.999 -2.641) 5.660 18.121 ( 15.860 13.063 -5.338) 21.229 18.661 ( -0.978 2.107 1.966) 3.043 18.749 ( 5.748 5.718 -6.560) 10.429 19.350 ( 12.343 -2.974 3.296) 13.117 20.175 ( -9.027 -0.429 9.746) 13.292 20.432 ( -4.387 -5.539 1.596) 7.243 20.963 ( 3.090 -15.642 2.122) 16.085 24.090 ( -19.474 36.217 -58.067) 71.152 24.760 ( 31.426 9.115 31.398) 45.349 25.369 ( -4.521 -9.651 -12.346) 16.310 25.515 ( 6.683 -8.300 8.904) 13.886 27.903 ( -1.828 2.912 3.804) 5.128 28.371 ( 0.019 -6.668 2.054) 6.978 ======================= Grid point 107 (55/128) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 3.839 19.285 2.061) 19.771 1.445 ( 2.098 11.957 16.672) 20.623 1.661 ( 3.342 -8.683 13.005) 15.990 1.802 ( 5.090 -17.126 -2.941) 18.107 2.719 ( -1.193 7.454 -5.366) 9.262 2.783 ( -2.344 -0.968 -5.054) 5.654 2.912 ( -1.682 6.980 -1.129) 7.268 3.017 ( -3.049 -4.019 -8.320) 9.730 3.375 ( 6.680 8.324 -11.476) 15.672 3.458 ( 5.135 -1.315 -7.861) 9.482 3.896 ( 2.017 27.910 -0.774) 27.993 4.025 ( 5.820 7.499 0.003) 9.493 4.127 ( 7.701 3.505 -8.376) 11.906 4.333 ( 0.493 -4.890 -2.174) 5.374 4.487 ( 0.622 7.694 -1.080) 7.794 4.669 ( -9.275 9.558 6.208) 14.694 4.754 ( -5.834 -0.205 4.294) 7.247 4.768 ( -3.124 -8.123 1.139) 8.778 4.873 ( -1.224 25.711 2.352) 25.847 5.114 ( 5.588 1.545 -10.162) 11.699 5.304 ( 4.032 -12.042 -9.145) 15.649 5.507 ( 0.387 -21.997 0.595) 22.008 5.880 ( -4.435 0.567 4.400) 6.273 5.904 ( -2.059 -2.861 5.081) 6.184 6.407 ( -4.721 7.505 7.025) 11.312 6.455 ( -1.489 1.184 7.930) 8.155 6.871 ( 0.201 3.565 -1.839) 4.016 6.986 ( -3.833 -3.382 0.297) 5.121 7.578 ( 1.041 1.004 -2.638) 3.009 7.665 ( -0.309 -7.646 0.820) 7.696 8.116 ( 2.822 -1.970 -2.149) 4.058 8.167 ( 2.334 -8.067 -3.645) 9.155 8.805 ( 1.260 6.111 2.645) 6.777 8.871 ( 2.354 0.523 1.213) 2.699 9.114 ( -3.833 2.968 6.675) 8.250 9.178 ( -6.532 -7.324 4.289) 10.710 9.280 ( 3.351 0.880 2.678) 4.379 9.392 ( 11.217 -7.945 7.510) 15.663 10.096 ( -5.044 7.223 -4.207) 9.762 10.228 ( -4.555 -7.368 -0.129) 8.663 10.752 ( -1.176 3.968 -2.667) 4.923 10.835 ( 3.766 -0.946 0.858) 3.976 10.906 ( 1.032 6.769 2.039) 7.144 11.190 ( 0.451 -14.354 -1.804) 14.474 11.535 ( -0.128 9.613 -5.944) 11.303 11.667 ( -1.805 -2.009 -3.388) 4.333 11.890 ( -2.010 5.609 -3.501) 6.911 11.969 ( 1.227 2.118 1.158) 2.708 12.170 ( 2.637 0.604 0.488) 2.749 12.311 ( 7.405 -10.598 3.262) 13.334 12.586 ( 1.544 12.156 -2.713) 12.550 12.714 ( -3.286 -0.703 -2.020) 3.920 13.015 ( -7.926 8.844 7.743) 14.177 13.205 ( -3.219 -8.468 -1.165) 9.133 13.370 ( -5.387 4.962 4.761) 8.736 13.551 ( -2.894 -10.284 8.747) 13.808 13.966 ( 0.902 1.672 0.120) 1.904 14.066 ( 2.531 -7.558 -0.590) 7.992 14.546 ( 1.032 2.643 1.104) 3.044 14.634 ( -1.205 -6.216 0.846) 6.388 15.999 ( -0.077 20.744 -1.192) 20.778 16.373 ( 0.868 -17.641 -1.785) 17.753 17.573 ( 2.684 9.127 -5.891) 11.190 17.675 ( 4.323 -1.115 -6.778) 8.116 17.973 ( -0.707 30.486 -3.237) 30.666 18.404 ( -0.730 -12.511 2.313) 12.744 18.566 ( -2.138 10.439 3.313) 11.159 18.777 ( -0.941 -10.084 -3.187) 10.617 19.772 ( 4.818 15.501 0.131) 16.233 19.998 ( -1.680 -2.658 1.382) 3.435 20.313 ( -2.507 6.348 4.590) 8.225 20.636 ( 0.021 -20.986 5.206) 21.623 24.194 ( -22.735 34.774 -36.628) 55.387 24.754 ( -13.207 -23.586 -22.220) 34.993 25.601 ( 17.466 -1.534 15.959) 23.709 25.627 ( 19.880 -4.518 18.547) 27.561 27.997 ( -0.341 9.601 1.553) 9.732 28.203 ( 0.381 -10.739 2.219) 10.973 ======================= Grid point 108 (56/128) ======================= q-point: ( 0.10 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 5.983 15.770 -1.026) 16.898 1.651 ( 5.791 -6.506 4.108) 9.631 1.863 ( 18.351 7.127 12.969) 23.575 2.055 ( 15.872 -10.682 6.540) 20.219 2.671 ( -4.636 2.427 -9.150) 10.541 2.699 ( -5.786 -1.151 -7.600) 9.620 2.871 ( -1.375 6.635 -2.860) 7.355 2.954 ( -1.818 -1.888 -4.150) 4.908 3.406 ( -1.892 9.709 -6.062) 11.601 3.504 ( 0.080 -1.679 -2.901) 3.353 3.902 ( -0.858 29.305 -0.566) 29.323 4.065 ( -2.054 18.198 -1.603) 18.384 4.286 ( 4.183 -7.498 -2.846) 9.045 4.319 ( -0.653 -5.999 -10.739) 12.318 4.441 ( -5.908 6.335 5.343) 10.178 4.471 ( -6.001 1.602 4.985) 7.964 4.638 ( -2.602 1.851 -1.261) 3.433 4.741 ( -1.680 -7.105 0.912) 7.358 4.886 ( 1.704 29.564 1.306) 29.642 5.236 ( 7.153 -0.971 -6.553) 9.749 5.418 ( 6.983 -8.356 -5.789) 12.333 5.569 ( 5.365 -19.948 -0.030) 20.657 5.809 ( -1.824 2.760 1.799) 3.766 5.870 ( -2.262 -5.374 4.797) 7.550 6.323 ( -4.124 9.420 6.647) 12.244 6.417 ( -2.658 -1.062 7.173) 7.723 6.907 ( 3.788 4.696 -2.004) 6.358 7.029 ( 6.699 -5.587 -0.715) 8.752 7.620 ( 3.599 -0.181 -1.977) 4.110 7.677 ( 1.791 -5.896 0.445) 6.178 8.182 ( 3.924 -0.799 -0.447) 4.029 8.223 ( 3.791 -5.905 -2.027) 7.304 8.750 ( -7.888 5.665 4.152) 10.562 8.813 ( -14.214 7.295 5.821) 17.004 8.924 ( 0.344 -5.492 0.917) 5.579 9.034 ( -3.842 -10.483 5.404) 12.404 9.500 ( 10.415 10.818 4.828) 15.773 9.751 ( 14.588 -14.289 7.263) 21.674 10.040 ( -0.445 8.887 -6.821) 11.212 10.184 ( 0.774 -6.850 -4.073) 8.007 10.728 ( -0.824 7.934 -4.562) 9.189 10.888 ( -2.119 -3.529 -2.759) 4.955 10.940 ( 6.005 4.126 4.361) 8.491 11.175 ( 0.055 -13.606 3.339) 14.010 11.508 ( -2.928 6.062 -4.858) 8.302 11.575 ( -5.391 1.420 -2.600) 6.151 11.875 ( 1.224 3.504 -5.473) 6.612 11.967 ( -0.158 -4.548 -1.462) 4.780 12.280 ( 5.640 9.914 6.964) 13.364 12.474 ( 5.631 -7.520 4.180) 10.282 12.552 ( -2.815 10.258 -0.554) 10.652 12.659 ( -1.109 2.114 -4.893) 5.444 12.900 ( -3.198 6.707 2.001) 7.695 13.134 ( -3.961 -11.377 -3.981) 12.688 13.301 ( -1.773 6.002 2.264) 6.656 13.503 ( -2.281 -11.766 5.938) 13.375 13.959 ( -1.704 3.263 1.036) 3.824 14.077 ( -1.337 -7.978 1.540) 8.234 14.571 ( 1.376 2.370 0.996) 2.915 14.655 ( 3.011 -6.007 -0.700) 6.756 16.019 ( 2.247 20.205 -0.868) 20.348 16.392 ( 1.188 -18.241 -0.587) 18.289 17.599 ( 1.279 12.367 -5.093) 13.435 17.713 ( 0.015 4.254 -2.034) 4.715 18.004 ( 3.776 23.515 -5.103) 24.357 18.364 ( -2.828 -10.738 2.434) 11.367 18.489 ( -6.162 9.917 3.073) 12.073 18.710 ( -5.557 -11.992 -2.953) 13.542 19.633 ( -12.612 26.261 0.970) 29.148 20.041 ( 1.678 -11.993 0.782) 12.135 20.350 ( 4.160 8.541 4.427) 10.481 20.658 ( 1.244 -19.504 5.059) 20.188 23.828 ( -10.690 42.158 -24.440) 49.889 24.527 ( -7.297 -30.084 -17.055) 35.344 25.790 ( 3.850 3.112 6.709) 8.338 25.916 ( 4.042 -10.827 11.273) 16.145 28.026 ( 3.128 8.840 3.228) 9.917 28.225 ( 1.646 -10.597 2.810) 11.086 ======================= Grid point 109 (57/128) ======================= q-point: ( 0.20 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 15.167 10.751 -8.224) 20.328 1.799 ( 9.299 -6.403 -4.212) 12.050 2.213 ( 14.940 8.444 11.615) 20.723 2.345 ( 12.496 -4.933 6.934) 15.119 2.511 ( -9.270 1.668 -11.764) 15.070 2.559 ( -7.367 -3.399 -10.220) 13.049 2.867 ( 0.473 4.444 -3.747) 5.832 2.945 ( 0.031 -3.080 -1.386) 3.378 3.338 ( -3.672 8.871 -3.571) 10.243 3.441 ( -6.288 -2.371 -6.558) 9.390 3.877 ( -1.735 22.407 0.461) 22.479 3.978 ( -4.831 22.103 3.537) 22.900 4.132 ( -11.068 -4.775 4.521) 12.874 4.309 ( -1.472 -8.175 3.746) 9.112 4.369 ( -2.706 15.160 7.669) 17.204 4.529 ( 5.699 9.908 -10.792) 15.719 4.616 ( 0.231 -3.514 -6.804) 7.662 4.746 ( 2.806 -12.952 -2.019) 13.406 4.915 ( 0.804 25.440 0.519) 25.458 5.350 ( 3.981 -8.478 -0.624) 9.387 5.525 ( 3.913 -3.343 0.699) 5.194 5.655 ( 2.070 -16.655 1.884) 16.888 5.841 ( 3.967 -0.615 -0.416) 4.036 5.856 ( 2.677 -1.025 0.220) 2.875 6.255 ( -3.459 9.647 5.435) 11.600 6.371 ( -2.792 -2.701 6.554) 7.618 7.015 ( 7.138 8.194 -3.006) 11.275 7.184 ( 8.484 -8.539 -0.363) 12.043 7.702 ( 4.167 -0.226 0.160) 4.176 7.750 ( 5.870 -4.207 -0.378) 7.231 8.261 ( 3.829 2.795 3.347) 5.803 8.314 ( 5.432 -4.045 -0.121) 6.773 8.553 ( -10.547 1.825 4.612) 11.655 8.584 ( -8.472 1.216 5.138) 9.983 8.964 ( 2.890 -1.328 -0.701) 3.257 9.042 ( 2.502 -7.657 3.713) 8.870 9.602 ( 0.479 13.555 4.548) 14.306 9.809 ( -5.083 -3.430 -1.412) 6.293 10.093 ( 3.371 0.965 -0.416) 3.531 10.218 ( 0.169 -8.005 -7.669) 11.087 10.718 ( 0.118 6.266 -4.669) 7.815 10.826 ( -2.800 -0.633 -4.339) 5.203 11.087 ( 7.597 1.309 3.426) 8.436 11.232 ( 4.114 -9.342 4.792) 11.277 11.442 ( -1.063 5.235 -1.213) 5.477 11.515 ( 0.405 -0.368 -1.414) 1.516 11.901 ( 1.560 4.379 -6.136) 7.698 12.012 ( 4.517 -6.465 -3.579) 8.661 12.304 ( -4.484 13.738 3.714) 14.921 12.408 ( -4.322 7.675 6.005) 10.660 12.610 ( 0.804 3.938 -3.004) 5.017 12.676 ( 3.513 -1.984 3.866) 5.588 12.890 ( 0.867 -0.494 -5.605) 5.693 13.046 ( -4.418 -11.390 -6.937) 14.049 13.311 ( 2.342 4.992 2.042) 5.880 13.482 ( -0.383 -11.116 4.006) 11.822 13.925 ( -0.928 2.720 0.644) 2.946 14.037 ( -1.975 -8.074 2.553) 8.695 14.614 ( 3.094 3.166 -0.363) 4.442 14.720 ( 3.379 -7.308 -1.731) 8.236 16.091 ( 5.328 17.991 -0.353) 18.767 16.427 ( 2.843 -16.425 0.469) 16.676 17.632 ( 2.385 12.793 -2.992) 13.353 17.682 ( -3.072 10.507 4.437) 11.812 18.071 ( 2.075 16.653 -0.313) 16.785 18.327 ( -0.096 -6.239 -5.118) 8.070 18.362 ( -6.197 7.485 5.143) 10.994 18.576 ( -7.322 -11.061 -1.727) 13.377 19.413 ( -9.676 35.673 0.098) 36.962 20.037 ( -1.381 -23.893 0.047) 23.933 20.401 ( -0.191 10.096 4.712) 11.143 20.664 ( -1.540 -15.853 4.378) 16.519 23.744 ( 2.636 40.921 -11.456) 42.576 24.456 ( 0.849 -31.588 -9.374) 32.960 25.770 ( -6.327 2.368 -0.419) 6.769 25.852 ( -7.781 -5.849 0.855) 9.771 28.092 ( 2.308 6.261 5.079) 8.386 28.259 ( 1.134 -9.620 3.209) 10.205 ======================= Grid point 110 (58/128) ======================= q-point: ( 0.30 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 15.379 3.355 -11.312) 19.384 1.965 ( 7.093 0.012 -9.540) 11.888 2.321 ( -4.447 6.540 -9.129) 12.078 2.420 ( -2.590 -3.565 -7.747) 8.913 2.488 ( 7.790 4.151 3.989) 9.687 2.548 ( 7.149 -1.866 6.644) 9.937 2.850 ( -2.642 2.425 -4.134) 5.473 2.911 ( -2.755 -3.233 -3.798) 5.698 3.266 ( -4.259 2.297 -7.467) 8.898 3.275 ( -8.551 1.733 -11.009) 14.048 3.818 ( -3.914 10.086 5.422) 12.102 3.954 ( 1.252 28.155 2.986) 28.340 3.962 ( -6.426 -5.237 11.076) 13.834 4.300 ( -0.716 -4.946 1.978) 5.374 4.328 ( -1.097 20.907 5.976) 21.772 4.551 ( -1.044 2.850 -1.265) 3.288 4.680 ( 5.474 3.569 -12.239) 13.874 4.806 ( 1.940 -1.593 0.068) 2.511 4.924 ( 1.162 8.257 -4.049) 9.269 5.369 ( -1.779 -17.476 3.267) 17.867 5.571 ( 0.558 -0.180 6.320) 6.348 5.666 ( -0.508 -7.606 5.796) 9.576 5.921 ( 4.888 1.162 -1.850) 5.354 5.966 ( 5.862 -3.285 -2.654) 7.224 6.204 ( -1.900 8.216 2.903) 8.919 6.318 ( -3.117 -3.580 5.264) 7.088 7.164 ( 8.261 8.935 -2.559) 12.435 7.343 ( 7.738 -9.079 0.639) 11.946 7.773 ( 2.804 1.924 1.805) 3.850 7.864 ( 4.568 -5.764 1.105) 7.437 8.282 ( -4.367 8.433 7.810) 12.296 8.386 ( -1.762 -1.560 5.864) 6.319 8.445 ( 4.049 1.378 -1.162) 4.432 8.532 ( 3.548 -5.944 -1.588) 7.103 9.023 ( 2.989 0.945 -0.672) 3.206 9.105 ( 3.491 -5.762 1.172) 6.838 9.578 ( -2.351 14.148 2.354) 14.534 9.704 ( -3.776 3.212 -3.295) 5.953 10.089 ( -4.859 -3.597 -0.500) 6.067 10.157 ( -3.066 -8.116 -4.556) 9.799 10.715 ( -0.347 3.702 -2.671) 4.578 10.775 ( -2.530 0.275 -1.142) 2.789 11.151 ( -0.480 2.747 0.266) 2.801 11.306 ( 2.017 -9.634 -0.449) 9.853 11.500 ( 6.951 10.413 -0.307) 12.523 11.626 ( 9.190 -1.975 -1.547) 9.526 11.926 ( 1.542 7.561 -5.554) 9.507 12.095 ( 3.586 -9.608 -4.567) 11.226 12.187 ( -5.439 14.063 1.847) 15.191 12.350 ( -3.084 3.872 7.184) 8.724 12.610 ( 0.400 6.568 -4.450) 7.944 12.711 ( -1.047 1.828 3.457) 4.048 12.869 ( -2.977 -3.031 -7.963) 9.025 12.969 ( -2.117 -12.138 -7.129) 14.235 13.356 ( 1.049 2.212 4.709) 5.307 13.484 ( -0.254 -9.984 4.698) 11.037 13.953 ( 3.890 2.208 -1.306) 4.660 14.045 ( 3.160 -7.022 0.765) 7.738 14.680 ( 3.331 1.934 -1.050) 3.993 14.782 ( 3.239 -7.878 -1.553) 8.659 16.224 ( 8.256 15.696 -0.329) 17.738 16.508 ( 5.103 -13.050 0.245) 14.014 17.606 ( -4.485 14.641 9.190) 17.858 17.679 ( 1.412 4.759 5.187) 7.179 18.062 ( -2.077 19.076 -0.007) 19.189 18.271 ( -3.731 7.845 5.347) 10.201 18.373 ( 4.377 -9.237 -9.739) 14.118 18.447 ( -5.286 -6.860 -0.275) 8.665 19.251 ( -7.131 41.464 -0.100) 42.073 19.997 ( -2.680 -28.203 0.128) 28.331 20.364 ( -2.990 8.561 3.500) 9.720 20.603 ( -4.669 -13.840 2.854) 14.882 23.855 ( 7.938 36.335 -2.596) 37.282 24.516 ( 4.981 -30.162 -2.841) 30.702 25.569 ( -11.300 7.458 -5.960) 14.793 25.722 ( -5.457 -7.504 -3.296) 9.846 28.105 ( -1.306 5.833 4.226) 7.320 28.264 ( -0.957 -9.229 2.489) 9.607 ======================= Grid point 111 (59/128) ======================= q-point: ( 0.40 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 1.666 4.713 -11.081) 12.157 2.120 ( 3.590 -3.951 -7.866) 9.506 2.324 ( 5.252 6.859 -12.535) 15.224 2.442 ( 4.779 -4.906 -9.284) 11.537 2.583 ( 0.576 4.694 2.309) 5.263 2.633 ( 0.328 -0.486 4.081) 4.123 2.795 ( 0.221 5.603 -3.214) 6.463 2.900 ( 2.573 -4.328 -2.593) 5.664 3.115 ( -6.527 3.343 -11.582) 13.708 3.137 ( -8.082 1.027 -11.169) 13.825 3.767 ( -1.649 7.014 7.872) 10.672 3.866 ( -4.224 0.690 8.030) 9.099 3.996 ( 0.611 22.341 5.695) 23.064 4.283 ( 0.278 6.952 4.226) 8.140 4.346 ( 1.053 6.132 -0.987) 6.300 4.519 ( -2.532 -4.160 0.547) 4.900 4.750 ( 1.207 19.868 -3.862) 20.276 4.808 ( 0.332 12.482 -3.746) 13.036 4.976 ( 4.178 -12.051 -7.431) 14.761 5.325 ( -2.076 -20.432 3.491) 20.831 5.561 ( -2.254 0.610 9.657) 9.935 5.648 ( -2.206 -5.375 9.103) 10.799 6.002 ( 3.303 1.742 -0.651) 3.790 6.052 ( 3.237 -2.298 -1.173) 4.139 6.198 ( 1.036 4.313 0.976) 4.542 6.271 ( -1.718 -2.720 2.973) 4.380 7.321 ( 7.714 7.680 -1.493) 10.987 7.476 ( 5.669 -7.392 1.509) 9.437 7.802 ( -0.230 2.903 3.753) 4.750 7.906 ( -0.385 -6.246 3.599) 7.219 8.177 ( -5.132 9.396 3.925) 11.403 8.344 ( -2.110 -6.516 4.538) 8.216 8.580 ( 7.169 4.629 -1.276) 8.628 8.640 ( 5.865 -3.165 -2.136) 6.999 9.059 ( 0.367 2.847 -2.579) 3.859 9.169 ( 2.463 -5.442 -1.784) 6.235 9.543 ( -0.412 14.398 0.464) 14.411 9.684 ( 1.518 3.716 -0.014) 4.014 9.960 ( -5.715 -0.835 -2.174) 6.171 10.111 ( -2.495 -11.508 0.553) 11.788 10.702 ( -0.617 1.975 0.165) 2.076 10.732 ( -1.363 -0.363 0.575) 1.523 11.136 ( -0.554 5.516 0.261) 5.550 11.322 ( 0.488 -10.741 -0.518) 10.765 11.620 ( 3.705 16.407 -2.727) 17.040 11.791 ( 6.968 -0.170 -6.318) 9.408 11.950 ( 1.420 9.931 -4.297) 10.914 12.111 ( 0.072 3.384 -0.934) 3.512 12.160 ( 1.326 -3.402 -5.013) 6.201 12.291 ( -3.472 0.915 4.319) 5.617 12.598 ( -2.800 0.232 -0.613) 2.875 12.645 ( -6.329 -0.742 2.450) 6.828 12.800 ( -0.286 4.785 -12.399) 13.293 12.967 ( 2.129 -12.257 -5.086) 13.440 13.360 ( -0.664 1.019 6.459) 6.572 13.476 ( -0.736 -9.773 6.518) 11.770 14.052 ( 5.540 3.694 -0.740) 6.700 14.142 ( 5.895 -5.889 -1.177) 8.416 14.728 ( 1.614 0.993 -1.382) 2.346 14.835 ( 1.990 -9.570 -1.606) 9.905 16.394 ( 8.421 12.731 -0.638) 15.277 16.590 ( 2.280 -6.877 -0.130) 7.247 17.538 ( -3.488 13.458 12.143) 18.460 17.673 ( -2.924 -3.427 10.899) 11.794 18.042 ( 0.911 22.009 -4.686) 22.520 18.212 ( -2.698 7.138 2.930) 8.174 18.333 ( -4.950 -2.056 0.387) 5.374 18.480 ( 5.240 -10.480 -6.332) 13.318 19.141 ( -3.852 45.790 0.452) 45.954 19.938 ( -3.042 -24.665 0.763) 24.864 20.324 ( -0.878 0.895 2.064) 2.415 20.508 ( -4.732 -11.575 1.311) 12.573 23.996 ( 5.690 32.896 1.239) 33.408 24.610 ( 4.177 -28.470 0.902) 28.789 25.393 ( -5.449 13.002 -6.500) 15.524 25.640 ( -2.407 -11.588 -4.135) 12.537 28.060 ( -3.180 6.847 1.865) 7.777 28.232 ( -2.197 -9.590 0.993) 9.888 ======================= Grid point 112 (60/128) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 2.794 4.333 -7.381) 9.003 2.146 ( 0.464 -3.607 -5.467) 6.566 2.417 ( 2.982 3.090 -12.375) 13.099 2.443 ( 0.638 0.626 -12.246) 12.278 2.592 ( -1.849 2.329 -3.998) 4.982 2.644 ( 2.830 -2.648 -0.422) 3.898 2.786 ( -7.018 5.880 -2.313) 9.443 2.869 ( -6.997 -2.308 -2.878) 7.910 3.019 ( 1.399 5.510 -12.216) 13.474 3.094 ( 5.402 -1.934 -6.392) 8.589 3.768 ( 0.795 6.009 10.312) 11.961 3.816 ( -1.301 4.384 8.544) 9.691 3.983 ( -1.352 23.826 5.342) 24.455 4.276 ( -4.106 -0.596 0.277) 4.158 4.337 ( -1.791 4.766 -3.725) 6.308 4.473 ( -0.586 -6.374 -0.717) 6.441 4.728 ( -1.868 30.729 2.236) 30.867 4.839 ( 2.410 9.134 -9.172) 13.167 5.054 ( 4.313 -11.330 -6.333) 13.678 5.312 ( 0.242 -17.477 3.583) 17.842 5.505 ( -4.000 -2.243 9.518) 10.565 5.596 ( -3.824 -6.498 10.356) 12.810 6.058 ( 2.891 1.056 0.817) 3.184 6.103 ( 2.277 -2.646 0.559) 3.535 6.228 ( 1.602 2.150 1.658) 3.152 6.259 ( 0.199 -0.826 1.856) 2.042 7.443 ( 4.330 6.087 -0.458) 7.484 7.557 ( 2.234 -3.714 2.675) 5.093 7.771 ( -3.095 3.035 5.072) 6.672 7.874 ( -2.614 -6.507 3.797) 7.974 8.112 ( -1.616 11.030 1.212) 11.213 8.315 ( -1.223 -8.718 2.687) 9.204 8.659 ( 0.258 4.851 -1.693) 5.144 8.716 ( 1.112 -1.626 -0.888) 2.161 9.038 ( -1.542 2.252 -4.226) 5.030 9.163 ( -3.007 -7.057 -4.939) 9.124 9.598 ( 6.294 16.283 2.720) 17.668 9.710 ( -0.795 11.717 1.427) 11.831 9.948 ( 6.081 -7.994 1.709) 10.188 10.055 ( -2.976 -12.108 -0.519) 12.479 10.703 ( 0.909 1.993 1.903) 2.902 10.735 ( 1.328 -2.384 1.553) 3.140 11.136 ( 0.556 7.270 1.113) 7.376 11.337 ( 1.088 -10.713 1.147) 10.829 11.623 ( -2.642 20.614 -5.205) 21.424 11.863 ( 0.895 -0.823 -9.916) 9.990 11.986 ( 2.261 8.519 -2.392) 9.132 12.111 ( -1.867 6.018 -2.184) 6.668 12.153 ( -1.402 -3.145 -5.378) 6.386 12.273 ( 2.768 3.708 -1.776) 4.956 12.452 ( -10.666 -3.170 1.343) 11.208 12.548 ( -2.243 -12.381 -1.511) 12.673 12.852 ( 4.835 9.099 -8.115) 13.116 13.032 ( 4.742 -10.053 -3.832) 11.757 13.358 ( 0.065 0.811 7.054) 7.100 13.472 ( -0.278 -9.628 6.913) 11.856 14.142 ( 3.281 5.070 1.524) 6.229 14.241 ( 3.881 -5.398 -0.483) 6.666 14.740 ( -0.265 0.201 -1.507) 1.543 14.844 ( -0.941 -10.254 -2.485) 10.593 16.494 ( -0.226 8.588 -0.923) 8.641 16.592 ( -0.564 -0.833 -0.068) 1.008 17.460 ( -6.341 13.703 9.983) 18.101 17.603 ( -4.937 -4.140 9.321) 11.331 18.079 ( 2.271 11.735 -2.458) 12.203 18.185 ( 0.279 5.405 0.629) 5.449 18.263 ( -1.074 9.264 0.350) 9.332 18.565 ( 3.725 -12.480 -3.081) 13.384 19.108 ( 0.266 47.676 0.936) 47.686 19.902 ( -0.363 -20.259 0.929) 20.284 20.333 ( 1.192 -6.640 1.927) 7.016 20.446 ( -1.180 -8.819 0.479) 8.911 24.066 ( 1.621 32.559 2.220) 32.675 24.674 ( 2.414 -28.099 2.710) 28.333 25.346 ( 0.378 14.263 -5.345) 15.237 25.616 ( -0.236 -12.657 -3.937) 13.257 28.003 ( -2.442 8.101 -0.199) 8.464 28.193 ( -1.497 -10.315 -0.298) 10.427 ======================= Grid point 113 (61/128) ======================= q-point: (-0.40 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -4.320 2.486 -9.276) 10.530 2.110 ( -3.137 -1.215 -6.424) 7.252 2.414 ( -1.771 4.789 -5.794) 7.723 2.494 ( -3.550 -2.315 -1.567) 4.518 2.547 ( -1.919 6.086 -12.834) 14.333 2.615 ( -0.681 2.775 -15.656) 15.914 2.659 ( 1.430 -1.542 -4.191) 4.689 2.747 ( -1.781 -5.644 -3.154) 6.706 3.115 ( 5.103 5.175 -4.323) 8.457 3.171 ( 1.313 -0.502 -2.127) 2.549 3.813 ( 2.699 6.822 12.611) 14.589 3.830 ( 1.466 9.539 5.782) 11.251 3.969 ( -1.514 15.389 7.418) 17.150 4.124 ( -8.275 4.789 -2.057) 9.780 4.293 ( -1.231 3.477 -9.236) 9.945 4.489 ( 1.144 -9.214 -2.375) 9.584 4.702 ( -0.747 32.783 0.999) 32.806 4.884 ( 3.124 5.956 -7.545) 10.107 5.125 ( 3.063 -6.887 -5.070) 9.084 5.293 ( -4.144 -1.548 6.860) 8.163 5.458 ( -0.499 -15.129 5.672) 16.165 5.529 ( -3.283 -10.340 7.364) 13.112 6.107 ( 1.211 -0.835 -0.408) 1.527 6.134 ( 0.531 -3.406 2.293) 4.140 6.271 ( 3.058 1.922 4.058) 5.433 6.280 ( 1.807 0.738 4.195) 4.627 7.466 ( -2.258 7.334 1.011) 7.740 7.559 ( -2.450 -0.048 5.356) 5.890 7.707 ( -3.415 3.314 3.318) 5.801 7.830 ( -1.861 -8.496 0.807) 8.735 8.112 ( 1.154 11.213 0.912) 11.309 8.294 ( -1.407 -6.577 1.857) 6.977 8.593 ( -6.133 2.154 -0.628) 6.531 8.665 ( -5.557 -5.121 -0.654) 7.585 9.011 ( -0.913 0.449 -3.549) 3.692 9.090 ( -2.518 -5.775 -3.542) 7.228 9.645 ( -4.430 15.830 2.287) 16.597 9.768 ( 7.461 12.009 3.257) 14.508 10.009 ( 0.617 -5.535 -1.462) 5.758 10.164 ( 13.573 -11.921 2.850) 18.288 10.740 ( 2.457 1.490 1.638) 3.308 10.766 ( 1.078 -2.537 2.204) 3.529 11.159 ( 1.417 7.953 1.470) 8.211 11.358 ( 0.024 -8.882 0.980) 8.936 11.532 ( -5.241 16.181 -6.826) 18.327 11.776 ( -9.208 -6.646 -9.742) 14.962 11.997 ( -0.954 7.791 -3.538) 8.610 12.077 ( 0.285 11.106 -1.223) 11.177 12.148 ( 0.610 2.831 -0.767) 2.996 12.226 ( -7.810 3.864 -1.316) 8.812 12.371 ( 2.721 -5.086 -5.628) 8.059 12.553 ( 3.042 -16.832 -2.766) 17.326 12.944 ( 5.077 10.604 -4.444) 12.569 13.138 ( 6.371 -9.034 -2.431) 11.319 13.376 ( 1.234 -0.243 7.010) 7.122 13.472 ( -0.443 -8.722 6.178) 10.697 14.169 ( -0.984 5.373 3.757) 6.630 14.277 ( -0.645 -5.614 2.395) 6.137 14.718 ( -1.725 -0.680 -1.502) 2.386 14.804 ( -2.522 -9.024 -3.174) 9.893 16.388 ( -8.250 12.140 -0.828) 14.702 16.576 ( -2.393 -6.306 -0.612) 6.772 17.326 ( -6.634 14.737 4.600) 16.803 17.501 ( -5.634 -4.957 5.255) 9.161 18.106 ( 1.072 9.988 -0.443) 10.055 18.208 ( 1.383 15.091 1.181) 15.200 18.332 ( 7.374 2.021 0.459) 7.660 18.618 ( 1.843 -12.897 -0.372) 13.033 19.142 ( 2.880 46.871 0.091) 46.959 19.925 ( 2.291 -21.603 0.498) 21.730 20.364 ( 1.900 -4.634 3.099) 5.890 20.470 ( 3.238 -9.406 0.409) 9.956 24.092 ( 1.768 34.385 4.759) 34.757 24.723 ( 2.726 -28.690 4.882) 29.230 25.360 ( 0.661 12.832 -8.283) 15.287 25.601 ( -1.420 -11.276 -6.016) 12.859 27.975 ( -0.272 8.890 -0.481) 8.907 28.179 ( 0.031 -10.880 -0.525) 10.892 ======================= Grid point 114 (62/128) ======================= q-point: (-0.30 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -17.419 9.004 -15.946) 25.274 1.980 ( -10.844 -6.017 -10.281) 16.109 2.282 ( -7.994 0.560 2.571) 8.416 2.303 ( -12.244 -0.928 4.773) 13.174 2.614 ( 7.800 10.476 -11.341) 17.298 2.699 ( 7.323 5.183 -7.665) 11.800 2.780 ( 5.602 -6.662 -6.619) 10.935 2.808 ( 11.395 -5.958 -18.874) 22.838 3.123 ( -5.825 3.263 0.151) 6.679 3.143 ( -2.120 1.195 -0.150) 2.438 3.815 ( -3.424 11.264 6.237) 13.323 3.862 ( -1.721 4.003 9.475) 10.429 3.930 ( 1.010 13.095 7.459) 15.104 4.076 ( 3.493 11.122 -8.380) 14.357 4.319 ( 4.354 2.405 -4.413) 6.650 4.507 ( 1.580 -7.645 -4.608) 9.065 4.709 ( 1.509 32.213 -0.599) 32.254 4.946 ( 3.695 3.520 -7.007) 8.668 5.137 ( -2.535 0.880 -3.896) 4.731 5.186 ( -5.814 1.962 8.275) 10.302 5.439 ( -2.785 -14.495 3.594) 15.191 5.524 ( 2.012 -21.599 1.977) 21.782 6.083 ( -3.102 0.097 0.949) 3.246 6.124 ( -2.070 -4.431 3.183) 5.835 6.337 ( 3.337 1.844 6.063) 7.162 6.354 ( 4.404 0.612 6.828) 8.148 7.362 ( -8.244 12.479 1.533) 15.035 7.481 ( -5.729 0.493 6.657) 8.796 7.647 ( -2.982 3.615 -0.035) 4.686 7.793 ( -2.401 -9.907 -1.752) 10.343 8.130 ( -0.491 6.575 2.677) 7.116 8.256 ( -2.842 -6.323 0.680) 6.966 8.457 ( -5.619 2.483 -0.708) 6.184 8.578 ( -1.641 -8.102 0.908) 8.317 8.991 ( -1.142 2.065 -1.588) 2.844 9.079 ( 1.119 -6.138 0.196) 6.242 9.553 ( -4.521 14.815 0.341) 15.493 9.793 ( -3.606 -8.253 -0.275) 9.010 10.144 ( 11.026 15.888 1.644) 19.409 10.436 ( 12.934 -11.829 4.368) 18.063 10.761 ( -1.934 1.223 1.023) 2.507 10.795 ( 3.264 -0.101 0.159) 3.270 11.141 ( -6.368 5.788 -1.937) 8.821 11.266 ( -8.648 -0.777 -4.098) 9.601 11.469 ( -2.733 2.755 -1.320) 4.099 11.577 ( -5.292 -5.684 -3.353) 8.459 11.979 ( -0.143 5.579 -2.489) 6.111 12.059 ( -2.157 12.408 -4.148) 13.260 12.109 ( -3.461 -2.605 -1.661) 4.639 12.201 ( 3.693 2.013 1.247) 4.387 12.405 ( 1.441 1.629 -6.837) 7.174 12.640 ( 5.109 -15.468 -0.892) 16.315 13.041 ( 5.169 11.892 -3.334) 13.389 13.256 ( 4.659 -8.619 0.635) 9.819 13.422 ( 2.989 -1.927 6.502) 7.411 13.475 ( 1.124 -6.509 4.123) 7.786 14.106 ( -5.626 4.163 4.883) 8.533 14.214 ( -5.970 -6.323 6.001) 10.566 14.669 ( -3.169 0.612 -1.493) 3.556 14.760 ( -1.546 -8.185 -3.063) 8.875 16.225 ( -7.799 15.369 -0.443) 17.240 16.496 ( -5.192 -11.549 -0.342) 12.667 17.263 ( 0.742 12.741 -1.770) 12.884 17.427 ( -1.503 -4.607 -0.558) 4.878 18.118 ( -0.175 19.302 -0.467) 19.308 18.243 ( 2.014 15.229 3.015) 15.655 18.498 ( 8.809 -5.315 1.129) 10.350 18.639 ( 0.364 -11.483 2.037) 11.668 19.216 ( 4.904 42.518 -1.748) 42.836 19.971 ( 1.992 -26.237 -0.514) 26.318 20.417 ( 3.016 1.314 4.757) 5.784 20.549 ( 4.234 -10.395 1.650) 11.345 24.180 ( 7.625 35.448 10.138) 37.650 24.807 ( 5.851 -27.775 8.196) 29.544 25.322 ( -4.316 11.319 -16.970) 20.850 25.532 ( -5.227 -9.857 -11.188) 15.801 27.987 ( 1.223 8.817 1.114) 8.971 28.189 ( 0.758 -10.803 0.404) 10.837 ======================= Grid point 115 (63/128) ======================= q-point: (-0.20 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -16.129 14.779 -12.693) 25.292 1.729 ( -11.801 -11.601 -7.621) 18.218 2.037 ( -16.193 4.587 7.190) 18.302 2.115 ( -10.001 -3.903 1.204) 10.803 2.768 ( 6.368 4.666 0.146) 7.896 2.802 ( 1.548 3.139 -1.238) 3.713 2.922 ( 10.534 4.420 -19.684) 22.759 2.960 ( -2.458 4.866 -10.418) 11.759 3.058 ( 6.103 -3.783 -8.266) 10.950 3.100 ( 3.138 -4.699 -4.583) 7.275 3.780 ( 0.270 13.694 3.211) 14.068 3.834 ( 0.221 3.815 5.327) 6.556 3.982 ( 2.528 14.740 4.687) 15.672 4.182 ( 6.701 10.686 -6.020) 13.976 4.401 ( 3.272 1.140 2.187) 4.097 4.569 ( 5.552 -3.779 -7.041) 9.730 4.753 ( 2.658 28.451 -1.322) 28.605 4.998 ( 1.438 5.121 -5.897) 7.942 5.037 ( -5.080 6.259 -1.335) 8.171 5.091 ( -5.858 -2.591 6.154) 8.882 5.377 ( -3.585 -15.595 -3.217) 16.322 5.555 ( 0.421 -25.364 1.666) 25.422 6.006 ( -4.664 2.027 3.416) 6.126 6.065 ( -4.074 -4.116 5.090) 7.710 6.401 ( 2.422 2.228 7.682) 8.357 6.437 ( 3.119 -0.523 8.059) 8.658 7.163 ( -11.742 16.294 -0.876) 20.103 7.347 ( -9.047 -2.027 5.188) 10.624 7.598 ( -1.734 3.421 -1.811) 4.242 7.731 ( -3.358 -9.132 -1.272) 9.813 8.099 ( -1.879 -0.926 2.136) 2.992 8.175 ( -4.009 -9.136 -2.346) 10.249 8.470 ( 6.550 6.902 0.772) 9.546 8.622 ( 6.082 -7.091 3.821) 10.093 8.958 ( -2.144 5.785 1.163) 6.278 9.103 ( 0.421 -8.447 3.443) 9.132 9.483 ( -2.699 10.948 -1.250) 11.345 9.699 ( -5.609 -11.039 -3.483) 12.863 10.325 ( 4.811 17.713 3.375) 18.662 10.572 ( -4.853 -7.675 7.695) 11.902 10.725 ( 1.657 5.139 -2.816) 6.090 10.866 ( 1.838 -1.358 -2.959) 3.739 10.939 ( -9.603 -2.548 -5.764) 11.486 11.048 ( -7.596 -5.042 -0.628) 9.139 11.465 ( 3.415 7.560 -0.042) 8.296 11.579 ( 1.554 -1.350 1.617) 2.618 11.994 ( 0.676 -2.475 -1.959) 3.228 12.022 ( -0.112 9.338 -4.242) 10.257 12.041 ( -3.343 -0.773 -2.449) 4.216 12.264 ( 1.680 -7.827 -2.020) 8.256 12.441 ( 3.379 13.162 -3.082) 13.934 12.722 ( 2.961 -11.358 1.247) 11.804 13.125 ( 3.031 7.933 -1.402) 8.607 13.289 ( -0.765 -6.177 3.200) 6.999 13.498 ( 4.224 -0.748 6.871) 8.100 13.532 ( 2.142 -3.195 4.681) 6.059 13.995 ( -4.350 0.222 2.254) 4.905 14.078 ( -7.851 -6.960 7.062) 12.648 14.602 ( -3.364 3.723 -0.985) 5.113 14.728 ( -1.906 -8.966 -2.090) 9.402 16.098 ( -5.149 17.264 -0.235) 18.017 16.405 ( -3.463 -13.408 -0.364) 13.853 17.346 ( 7.248 8.234 -6.611) 12.807 17.454 ( 4.496 -2.366 -5.463) 7.460 18.091 ( -2.539 24.711 -0.806) 24.854 18.293 ( 3.111 12.371 3.448) 13.214 18.621 ( 0.166 -8.821 2.457) 9.158 18.666 ( 5.345 -6.132 1.663) 8.303 19.343 ( 8.798 33.665 -2.542) 34.888 19.998 ( 1.118 -26.423 -1.223) 26.475 20.465 ( 0.481 4.241 6.319) 7.626 20.619 ( 2.378 -11.478 3.519) 12.239 24.439 ( 18.252 31.791 14.617) 39.465 24.971 ( 8.864 -21.636 8.652) 24.931 25.146 ( -10.643 11.255 -24.398) 28.900 25.375 ( -9.473 -11.011 -15.961) 21.581 28.011 ( 0.761 8.273 2.765) 8.756 28.201 ( 0.312 -10.291 1.580) 10.417 ======================= Grid point 116 (64/128) ======================= q-point: (-0.10 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.908 18.243 -0.168) 18.266 1.589 ( -1.191 -12.932 3.133) 13.359 1.703 ( -17.452 10.105 7.999) 21.695 1.905 ( -10.544 -10.458 -0.138) 14.852 2.762 ( -3.119 7.359 -2.991) 8.534 2.814 ( -0.599 0.009 -1.599) 1.708 2.923 ( 0.411 8.012 -1.673) 8.195 3.056 ( 0.176 -5.322 -10.358) 11.646 3.183 ( 12.912 7.444 -11.709) 18.954 3.305 ( 11.370 -4.642 -16.259) 20.376 3.827 ( 4.040 19.279 -0.734) 19.712 3.900 ( 5.577 3.636 3.206) 7.389 4.034 ( 2.996 12.124 0.022) 12.488 4.290 ( 4.251 4.142 -2.316) 6.371 4.453 ( 2.256 6.237 0.254) 6.637 4.683 ( 5.466 2.079 -1.898) 6.148 4.780 ( -0.658 19.001 -0.242) 19.014 4.926 ( -6.455 5.243 1.617) 8.472 4.944 ( -6.721 0.117 5.753) 8.848 5.048 ( 2.057 4.582 -8.723) 10.065 5.304 ( -2.671 -15.096 -7.721) 17.165 5.536 ( -2.252 -25.803 1.078) 25.924 5.930 ( -3.043 1.957 5.121) 6.270 5.982 ( -4.878 -2.687 5.706) 7.973 6.440 ( 0.746 2.495 8.356) 8.753 6.473 ( -0.596 1.304 8.278) 8.401 6.948 ( -8.531 12.974 -2.827) 15.782 7.146 ( -10.937 -4.594 2.425) 12.108 7.576 ( -0.449 2.463 -2.515) 3.549 7.682 ( -1.570 -8.079 0.569) 8.249 8.083 ( 0.481 -2.527 -1.375) 2.916 8.140 ( 0.475 -9.179 -3.759) 9.931 8.660 ( 11.315 7.004 2.551) 13.550 8.802 ( 8.912 -6.350 3.037) 11.357 8.945 ( 3.913 7.750 5.417) 10.233 9.110 ( 1.470 -8.448 5.559) 10.219 9.411 ( -6.137 4.635 -0.067) 7.691 9.543 ( -11.240 -8.544 -2.126) 14.278 10.258 ( -9.958 9.130 -1.429) 13.585 10.369 ( -10.705 -3.218 5.412) 12.420 10.761 ( 0.905 -0.876 -1.501) 1.959 10.813 ( -2.442 -1.975 -4.017) 5.100 10.862 ( 2.279 8.154 1.326) 8.570 11.117 ( 6.864 -11.038 -1.311) 13.065 11.531 ( 1.765 10.571 -3.475) 11.267 11.625 ( 3.998 1.190 1.402) 4.401 11.937 ( -3.344 1.351 -4.178) 5.519 11.986 ( -2.546 5.001 0.170) 5.615 12.099 ( 5.751 -4.160 -2.324) 7.469 12.258 ( -1.044 -11.798 -1.905) 11.997 12.523 ( 4.481 15.276 -1.472) 15.988 12.750 ( -0.224 -5.895 0.742) 5.946 13.129 ( -3.149 5.905 4.345) 7.979 13.260 ( -2.278 -5.570 1.181) 6.132 13.487 ( -6.312 3.518 7.790) 10.625 13.571 ( 1.079 -3.680 9.262) 10.024 13.967 ( -2.780 -3.920 2.883) 5.604 13.996 ( 3.625 -6.191 -1.801) 7.397 14.549 ( -1.646 4.641 0.137) 4.926 14.679 ( -2.815 -8.582 -0.212) 9.034 16.024 ( -2.459 19.427 -0.758) 19.597 16.368 ( -0.468 -15.497 -1.441) 15.571 17.485 ( 6.784 7.045 -7.683) 12.438 17.569 ( 6.814 -1.399 -7.314) 10.094 18.025 ( -3.688 28.291 -1.159) 28.554 18.368 ( 3.801 1.030 1.364) 4.168 18.597 ( -1.918 1.019 4.942) 5.399 18.757 ( 3.133 -7.752 -1.876) 8.569 19.555 ( 12.796 23.500 -1.616) 26.807 20.019 ( 0.805 -18.678 -0.462) 18.701 20.417 ( -5.912 6.423 6.514) 10.892 20.641 ( -0.322 -15.680 4.870) 16.422 24.663 ( -15.834 23.760 -36.953) 46.699 24.938 ( 6.573 3.022 4.500) 8.520 25.166 ( 4.716 -5.906 -4.474) 8.783 25.312 ( 13.479 -12.078 14.293) 23.062 28.013 ( -0.837 8.364 2.533) 8.780 28.202 ( -0.274 -10.192 2.077) 10.405 ======================= Grid point 147 (65/128) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 2.183 0.000 13.954) 14.124 1.031 ( -8.408 0.000 23.979) 25.410 1.109 ( -0.760 0.000 1.628) 1.796 1.921 ( 11.044 0.000 42.467) 43.879 1.938 ( 1.367 0.000 -14.532) 14.597 2.112 ( -0.820 0.000 0.778) 1.130 2.305 ( 4.809 0.000 10.720) 11.749 2.584 ( -4.853 0.000 -24.301) 24.781 2.708 ( -1.283 0.000 -2.800) 3.080 3.017 ( 3.119 0.000 -9.694) 10.184 3.293 ( 2.222 0.000 -4.790) 5.280 3.478 ( 10.967 0.000 -5.485) 12.262 3.769 ( -5.202 0.000 -2.512) 5.776 3.891 ( 1.549 0.000 -18.496) 18.560 3.975 ( -1.245 0.000 -6.546) 6.664 4.270 ( -7.986 0.000 1.699) 8.165 4.458 ( 13.022 0.000 -0.952) 13.056 4.714 ( 2.130 0.000 2.943) 3.633 4.771 ( -17.049 0.000 6.889) 18.388 4.983 ( -1.690 0.000 -3.336) 3.739 5.285 ( 4.663 0.000 -4.186) 6.266 5.669 ( 0.310 0.000 4.956) 4.966 5.914 ( -1.158 0.000 -5.831) 5.945 6.473 ( -1.686 0.000 9.876) 10.019 6.528 ( 1.994 0.000 3.384) 3.928 6.884 ( -4.442 0.000 0.138) 4.444 6.926 ( 1.013 0.000 4.732) 4.839 7.010 ( -0.362 0.000 2.105) 2.136 7.776 ( 6.781 0.000 -1.928) 7.050 7.979 ( -5.678 0.000 -3.412) 6.625 8.064 ( -2.129 0.000 -6.514) 6.853 8.280 ( -3.418 0.000 0.479) 3.451 8.635 ( 1.623 0.000 2.904) 3.327 8.711 ( -2.196 0.000 -0.981) 2.406 9.054 ( 5.701 0.000 -1.782) 5.972 9.295 ( -3.121 0.000 8.141) 8.718 9.390 ( -1.370 0.000 -5.492) 5.661 9.724 ( -0.283 0.000 -2.231) 2.249 10.119 ( 22.754 0.000 12.572) 25.996 10.428 ( 8.608 0.000 16.991) 19.047 10.606 ( -6.132 0.000 -10.038) 11.763 10.798 ( -8.046 0.000 0.602) 8.068 11.024 ( -5.015 0.000 1.323) 5.187 11.038 ( 2.106 0.000 0.574) 2.182 11.186 ( -4.816 0.000 -9.209) 10.392 11.329 ( -2.052 0.000 -0.063) 2.053 11.705 ( -6.310 0.000 -4.187) 7.573 11.912 ( 2.293 0.000 2.395) 3.315 11.949 ( 2.478 0.000 -1.187) 2.748 12.184 ( 1.776 0.000 1.263) 2.179 12.728 ( 10.479 0.000 -0.976) 10.524 12.884 ( -12.608 0.000 -4.035) 13.238 12.932 ( -8.573 0.000 9.093) 12.497 13.235 ( 6.113 0.000 -2.591) 6.639 13.934 ( 2.530 0.000 -1.054) 2.741 14.267 ( -1.683 0.000 2.180) 2.754 14.340 ( -3.638 0.000 12.061) 12.598 14.376 ( 1.016 0.000 -1.471) 1.787 14.522 ( 4.173 0.000 2.918) 5.092 14.779 ( 2.222 0.000 -7.677) 7.992 15.113 ( -0.657 0.000 -0.880) 1.098 15.933 ( -15.664 0.000 2.328) 15.836 16.451 ( 4.419 0.000 -6.580) 7.926 17.529 ( 4.960 0.000 -5.695) 7.552 17.704 ( 0.015 0.000 -0.610) 0.610 18.031 ( -40.677 0.000 -0.933) 40.688 18.278 ( 0.815 0.000 0.127) 0.825 18.778 ( -4.565 0.000 4.641) 6.510 19.378 ( -4.977 0.000 -1.319) 5.149 19.646 ( 11.761 0.000 -3.675) 12.322 20.512 ( -0.220 0.000 0.295) 0.368 20.838 ( -3.471 0.000 5.179) 6.235 21.347 ( 0.717 0.000 1.128) 1.337 25.264 ( -3.331 0.000 -6.735) 7.513 25.755 ( 1.545 0.000 0.583) 1.651 26.980 ( 37.623 0.000 -0.685) 37.629 27.824 ( 1.257 0.000 0.731) 1.454 28.548 ( 0.724 0.000 2.647) 2.745 ======================= Grid point 148 (66/128) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -11.489 0.000 22.360) 25.139 0.942 ( 2.694 0.000 7.659) 8.119 1.142 ( 5.060 0.000 2.775) 5.771 1.950 ( 0.813 0.000 -11.857) 11.884 2.113 ( 0.612 0.000 -1.723) 1.828 2.347 ( 9.092 0.000 10.483) 13.877 2.408 ( 4.564 0.000 8.224) 9.405 2.417 ( 5.026 0.000 -1.241) 5.177 2.704 ( 1.552 0.000 -1.856) 2.420 3.047 ( 0.146 0.000 -5.737) 5.738 3.366 ( 4.833 0.000 -5.525) 7.341 3.537 ( -14.884 0.000 -3.896) 15.385 3.644 ( 2.202 0.000 -3.287) 3.957 3.870 ( -9.775 0.000 -13.718) 16.845 3.985 ( 9.731 0.000 -21.179) 23.308 4.225 ( 3.386 0.000 6.313) 7.164 4.333 ( -12.733 0.000 -1.775) 12.856 4.706 ( -1.626 0.000 -2.166) 2.709 4.878 ( 17.478 0.000 9.587) 19.934 4.924 ( -3.159 0.000 2.724) 4.171 5.417 ( 8.546 0.000 -4.423) 9.623 5.787 ( 7.802 0.000 5.246) 9.402 5.915 ( 1.781 0.000 -5.434) 5.719 6.421 ( -4.658 0.000 10.669) 11.642 6.514 ( -3.539 0.000 1.099) 3.706 6.847 ( -5.841 0.000 4.702) 7.498 6.907 ( 6.436 0.000 1.397) 6.586 7.057 ( -0.492 0.000 2.237) 2.291 7.690 ( -17.882 0.000 7.763) 19.494 7.871 ( -0.455 0.000 5.556) 5.575 8.044 ( 4.212 0.000 -15.044) 15.622 8.237 ( -1.777 0.000 3.263) 3.716 8.670 ( 0.869 0.000 2.354) 2.510 8.679 ( -0.768 0.000 -2.950) 3.048 9.004 ( -5.111 0.000 -0.112) 5.112 9.214 ( -6.361 0.000 9.098) 11.101 9.470 ( 4.122 0.000 -3.472) 5.389 9.615 ( -8.379 0.000 0.158) 8.381 10.370 ( -11.973 0.000 -0.023) 11.973 10.463 ( 2.845 0.000 -5.398) 6.102 10.670 ( 11.989 0.000 16.144) 20.109 10.743 ( 10.182 0.000 -3.506) 10.768 10.935 ( -3.701 0.000 2.705) 4.584 11.106 ( 4.940 0.000 -10.799) 11.875 11.145 ( 1.611 0.000 -4.333) 4.623 11.427 ( 7.584 0.000 0.181) 7.586 11.555 ( -8.236 0.000 1.734) 8.416 11.809 ( -7.686 0.000 -2.446) 8.066 12.014 ( 1.125 0.000 1.016) 1.516 12.181 ( -2.759 0.000 -0.696) 2.845 12.646 ( -8.146 0.000 -4.345) 9.232 12.769 ( -8.546 0.000 5.112) 9.958 13.077 ( 19.490 0.000 1.086) 19.520 13.348 ( 5.145 0.000 1.713) 5.423 13.827 ( -11.388 0.000 -2.167) 11.592 14.192 ( -5.773 0.000 1.292) 5.915 14.332 ( 2.342 0.000 10.296) 10.559 14.364 ( -2.253 0.000 -0.319) 2.276 14.782 ( 17.031 0.000 -3.322) 17.352 14.839 ( 4.657 0.000 -7.205) 8.579 15.079 ( -3.949 0.000 2.656) 4.758 15.319 ( -36.428 0.000 25.306) 44.355 16.545 ( 5.011 0.000 -5.076) 7.133 17.218 ( -18.082 0.000 8.444) 19.956 17.644 ( 7.360 0.000 -8.809) 11.479 17.707 ( 0.427 0.000 -1.054) 1.137 18.247 ( -3.671 0.000 -1.078) 3.826 18.674 ( -6.431 0.000 7.614) 9.966 19.412 ( -6.810 0.000 1.995) 7.096 20.176 ( 19.690 0.000 7.483) 21.064 20.550 ( 3.764 0.000 0.585) 3.809 21.076 ( 35.055 0.000 -2.199) 35.124 21.326 ( -2.886 0.000 0.347) 2.907 25.216 ( -0.914 0.000 -3.610) 3.724 25.783 ( 1.353 0.000 -0.803) 1.573 26.679 ( -40.892 0.000 -19.221) 45.184 28.275 ( 20.952 0.000 -6.029) 21.802 28.556 ( -0.196 0.000 1.891) 1.901 ======================= Grid point 149 (67/128) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 14.769 0.000 -6.938) 16.318 0.956 ( -1.157 0.000 3.337) 3.532 1.305 ( 10.294 0.000 -0.344) 10.300 1.928 ( -2.361 0.000 -10.005) 10.279 2.114 ( -12.582 0.000 -21.494) 24.905 2.136 ( 2.097 0.000 -2.253) 3.078 2.495 ( 3.628 0.000 7.828) 8.628 2.730 ( 4.761 0.000 -0.812) 4.830 2.934 ( 23.330 0.000 22.317) 32.285 3.022 ( -1.828 0.000 -1.349) 2.272 3.194 ( -18.049 0.000 -4.039) 18.496 3.269 ( -19.145 0.000 0.631) 19.156 3.585 ( -6.664 0.000 0.291) 6.670 3.749 ( 5.451 0.000 -24.342) 24.945 4.110 ( 2.124 0.000 -12.197) 12.380 4.203 ( -2.132 0.000 -3.530) 4.124 4.426 ( 12.923 0.000 0.524) 12.934 4.716 ( 3.715 0.000 -4.587) 5.903 4.885 ( 0.592 0.000 3.161) 3.216 5.252 ( 19.356 0.000 8.017) 20.951 5.581 ( 8.110 0.000 -2.954) 8.631 5.870 ( 0.684 0.000 1.567) 1.710 5.969 ( 1.917 0.000 0.746) 2.058 6.320 ( -6.094 0.000 11.162) 12.717 6.429 ( -3.823 0.000 -0.246) 3.831 6.746 ( -5.062 0.000 4.986) 7.106 6.861 ( -17.968 0.000 10.965) 21.049 7.105 ( 12.893 0.000 0.792) 12.917 7.534 ( 1.110 0.000 2.176) 2.443 7.763 ( -8.990 0.000 5.293) 10.433 8.205 ( 11.336 0.000 -13.097) 17.322 8.223 ( -0.085 0.000 4.910) 4.910 8.551 ( -8.109 0.000 -3.261) 8.740 8.729 ( 0.206 0.000 -3.165) 3.172 8.988 ( 4.360 0.000 7.392) 8.582 9.053 ( -10.561 0.000 7.606) 13.015 9.469 ( -6.318 0.000 3.444) 7.196 9.473 ( -2.361 0.000 -2.850) 3.701 10.270 ( -0.369 0.000 -5.715) 5.727 10.382 ( -4.298 0.000 -4.724) 6.387 10.773 ( -5.856 0.000 2.804) 6.493 10.806 ( -0.504 0.000 13.386) 13.395 11.073 ( 11.275 0.000 -4.058) 11.983 11.166 ( 3.710 0.000 -24.132) 24.415 11.288 ( 10.874 0.000 5.238) 12.070 11.437 ( -2.599 0.000 3.715) 4.534 11.527 ( 1.999 0.000 -2.014) 2.838 11.678 ( -4.933 0.000 -2.617) 5.584 12.014 ( -0.887 0.000 1.745) 1.958 12.101 ( -3.759 0.000 -2.040) 4.277 12.532 ( -3.323 0.000 -2.393) 4.095 12.599 ( -9.558 0.000 2.192) 9.806 13.398 ( 9.292 0.000 4.216) 10.203 13.445 ( 4.922 0.000 5.534) 7.406 13.553 ( -12.373 0.000 -2.428) 12.609 14.046 ( -8.960 0.000 -0.720) 8.989 14.306 ( -2.876 0.000 1.927) 3.462 14.452 ( 8.609 0.000 7.411) 11.360 14.712 ( -14.776 0.000 20.658) 25.398 14.955 ( 8.426 0.000 -6.615) 10.712 14.958 ( -0.881 0.000 0.105) 0.888 15.313 ( 15.597 0.000 -1.948) 15.718 16.606 ( 0.919 0.000 -0.937) 1.312 17.190 ( 9.743 0.000 -0.787) 9.775 17.716 ( 0.585 0.000 -0.199) 0.618 17.778 ( 5.508 0.000 -7.425) 9.245 18.166 ( -2.649 0.000 -5.791) 6.368 18.546 ( -7.415 0.000 8.942) 11.616 19.192 ( -14.943 0.000 5.642) 15.973 20.263 ( -4.499 0.000 15.004) 15.664 20.639 ( 4.629 0.000 0.742) 4.688 21.247 ( -4.681 0.000 -0.644) 4.725 21.957 ( 45.644 0.000 1.958) 45.686 25.226 ( 2.043 0.000 -0.491) 2.101 25.804 ( -43.218 0.000 -24.154) 49.510 25.809 ( 1.496 0.000 -1.654) 2.230 28.435 ( -1.400 0.000 -3.033) 3.341 28.540 ( -1.654 0.000 0.895) 1.880 ======================= Grid point 150 (68/128) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -1.988 0.000 2.009) 2.826 1.224 ( 24.779 0.000 -21.727) 32.955 1.505 ( 9.962 0.000 -7.873) 12.697 1.865 ( -2.283 0.000 -9.176) 9.456 1.914 ( -4.448 0.000 -19.521) 20.021 2.177 ( 1.825 0.000 -0.883) 2.028 2.543 ( -0.334 0.000 6.716) 6.724 2.790 ( -3.275 0.000 -1.645) 3.665 2.817 ( -21.853 0.000 -5.343) 22.497 2.830 ( -12.505 0.000 -2.800) 12.815 3.013 ( 0.762 0.000 4.348) 4.415 3.402 ( 17.717 0.000 12.845) 21.883 3.452 ( -3.244 0.000 5.157) 6.093 3.890 ( 7.057 0.000 -12.427) 14.291 4.064 ( -5.506 0.000 -8.741) 10.331 4.192 ( 1.287 0.000 -13.712) 13.773 4.542 ( 0.266 0.000 6.204) 6.210 4.741 ( -1.385 0.000 5.224) 5.405 5.088 ( 16.898 0.000 -12.570) 21.061 5.588 ( 12.391 0.000 9.382) 15.542 5.714 ( 5.715 0.000 -0.909) 5.787 5.863 ( -0.763 0.000 2.784) 2.887 5.932 ( -4.846 0.000 0.909) 4.931 6.251 ( 0.123 0.000 8.852) 8.853 6.405 ( 1.190 0.000 0.251) 1.216 6.533 ( -14.897 0.000 10.722) 18.355 6.660 ( -4.224 0.000 3.493) 5.481 7.371 ( 13.621 0.000 -2.077) 13.778 7.563 ( -11.660 0.000 4.966) 12.673 7.618 ( 5.840 0.000 -0.516) 5.863 8.212 ( -2.499 0.000 0.005) 2.499 8.407 ( 8.398 0.000 -7.234) 11.084 8.419 ( -3.675 0.000 -0.023) 3.675 8.682 ( -3.950 0.000 -1.058) 4.089 8.873 ( -6.062 0.000 4.932) 7.816 9.128 ( 7.350 0.000 7.721) 10.660 9.360 ( -6.064 0.000 5.659) 8.294 9.427 ( -1.359 0.000 -4.813) 5.001 10.178 ( -6.139 0.000 -9.324) 11.164 10.449 ( 8.742 0.000 1.621) 8.891 10.663 ( -5.140 0.000 -1.105) 5.257 10.716 ( -8.113 0.000 11.762) 14.289 11.171 ( -0.728 0.000 1.845) 1.983 11.220 ( 4.187 0.000 -19.640) 20.081 11.420 ( 3.318 0.000 -3.191) 4.604 11.539 ( 9.612 0.000 2.071) 9.832 11.542 ( -0.087 0.000 -3.513) 3.515 11.590 ( -3.688 0.000 -2.088) 4.238 11.968 ( -2.770 0.000 -3.859) 4.751 12.095 ( 2.096 0.000 5.310) 5.709 12.407 ( -9.744 0.000 1.397) 9.844 12.508 ( 1.025 0.000 -5.162) 5.263 13.223 ( -12.647 0.000 0.695) 12.666 13.553 ( 5.465 0.000 6.837) 8.753 13.615 ( 4.755 0.000 2.015) 5.164 13.869 ( -8.346 0.000 -2.775) 8.795 14.274 ( -0.659 0.000 1.371) 1.521 14.570 ( -3.313 0.000 16.183) 16.519 14.627 ( 7.480 0.000 4.221) 8.589 14.948 ( 0.715 0.000 -2.167) 2.281 15.186 ( 16.422 0.000 -4.419) 17.007 15.548 ( 7.711 0.000 -4.462) 8.909 16.562 ( -5.788 0.000 2.360) 6.251 17.499 ( 20.781 0.000 -4.168) 21.195 17.727 ( 0.531 0.000 -0.492) 0.723 17.780 ( -4.371 0.000 1.347) 4.574 18.193 ( 4.113 0.000 -6.954) 8.079 18.415 ( -5.217 0.000 3.067) 6.051 18.871 ( -18.242 0.000 9.458) 20.548 20.137 ( -8.827 0.000 14.578) 17.042 20.703 ( 1.395 0.000 0.088) 1.398 21.169 ( -2.724 0.000 -1.028) 2.912 22.698 ( 28.898 0.000 7.196) 29.781 25.072 ( -28.078 0.000 -23.014) 36.304 25.288 ( 3.978 0.000 1.815) 4.373 25.841 ( 1.991 0.000 -2.024) 2.839 28.306 ( -10.011 0.000 -1.629) 10.143 28.495 ( -2.914 0.000 0.005) 2.914 ======================= Grid point 151 (69/128) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.382 0.000 -0.976) 1.048 1.583 ( 11.571 0.000 -20.683) 23.699 1.652 ( 6.269 0.000 -20.714) 21.642 1.853 ( 1.323 0.000 -3.893) 4.112 1.981 ( 13.165 0.000 -16.499) 21.107 2.196 ( 0.211 0.000 -1.071) 1.092 2.399 ( -12.541 0.000 -3.751) 13.090 2.473 ( -17.094 0.000 -4.047) 17.567 2.567 ( -3.793 0.000 1.019) 3.928 2.815 ( -0.251 0.000 -0.880) 0.915 3.077 ( 4.199 0.000 12.272) 12.970 3.367 ( -1.384 0.000 0.471) 1.462 3.727 ( 5.184 0.000 5.273) 7.394 3.938 ( -1.174 0.000 4.088) 4.253 3.955 ( 0.584 0.000 0.584) 0.826 4.197 ( -0.446 0.000 -23.959) 23.963 4.554 ( 2.294 0.000 3.737) 4.385 4.689 ( -4.989 0.000 2.525) 5.592 5.331 ( 7.228 0.000 -7.984) 10.770 5.704 ( 0.246 0.000 12.084) 12.086 5.802 ( 3.326 0.000 0.797) 3.420 5.824 ( -3.199 0.000 0.951) 3.338 5.912 ( 4.616 0.000 0.699) 4.669 6.297 ( -10.441 0.000 5.841) 11.964 6.380 ( 10.447 0.000 3.172) 10.918 6.446 ( 1.994 0.000 1.005) 2.233 6.602 ( -1.622 0.000 3.024) 3.432 7.337 ( -11.022 0.000 5.000) 12.103 7.605 ( 10.075 0.000 -4.329) 10.965 7.729 ( 5.177 0.000 1.123) 5.297 8.127 ( -4.834 0.000 -4.869) 6.861 8.408 ( 1.085 0.000 3.041) 3.229 8.440 ( -3.206 0.000 0.470) 3.240 8.598 ( -4.299 0.000 0.684) 4.353 8.918 ( 9.136 0.000 0.822) 9.173 9.225 ( -8.487 0.000 6.402) 10.631 9.228 ( 1.245 0.000 4.897) 5.053 9.412 ( -0.128 0.000 -3.844) 3.846 10.103 ( 0.287 0.000 -3.111) 3.124 10.555 ( -3.844 0.000 -2.131) 4.395 10.562 ( -8.006 0.000 10.669) 13.339 10.667 ( 10.871 0.000 -2.602) 11.178 11.113 ( -3.868 0.000 0.541) 3.906 11.305 ( 5.987 0.000 -11.804) 13.235 11.479 ( -3.824 0.000 -0.055) 3.824 11.489 ( 4.312 0.000 -10.825) 11.652 11.560 ( -1.639 0.000 -0.303) 1.667 11.662 ( 1.941 0.000 -4.977) 5.343 11.925 ( -1.996 0.000 -1.830) 2.708 12.141 ( 1.584 0.000 6.634) 6.821 12.261 ( -4.291 0.000 2.220) 4.832 12.555 ( 4.183 0.000 -8.700) 9.654 13.027 ( -7.471 0.000 -3.086) 8.083 13.618 ( -3.827 0.000 -1.137) 3.992 13.657 ( 4.355 0.000 6.624) 7.928 13.763 ( -2.055 0.000 1.396) 2.485 14.273 ( 0.239 0.000 0.169) 0.293 14.571 ( 1.511 0.000 12.193) 12.287 14.728 ( 2.916 0.000 1.825) 3.440 14.991 ( 3.928 0.000 -3.258) 5.103 15.555 ( 19.796 0.000 -1.851) 19.882 15.616 ( 0.582 0.000 -5.460) 5.491 16.388 ( -11.759 0.000 3.770) 12.349 17.687 ( -4.066 0.000 2.330) 4.687 17.735 ( 0.258 0.000 -0.589) 0.643 17.937 ( 23.639 0.000 -4.438) 24.052 18.127 ( -10.430 0.000 14.952) 18.231 18.465 ( 8.965 0.000 -16.324) 18.624 18.512 ( -19.497 0.000 10.797) 22.287 19.980 ( -7.777 0.000 14.604) 16.546 20.693 ( -1.707 0.000 -1.010) 1.984 21.147 ( 0.177 0.000 -0.713) 0.735 23.066 ( 8.821 0.000 4.419) 9.866 24.716 ( -7.279 0.000 -15.183) 16.838 25.370 ( 3.990 0.000 2.679) 4.806 25.877 ( 1.554 0.000 -1.981) 2.518 28.095 ( -10.426 0.000 -1.855) 10.590 28.437 ( -2.718 0.000 -0.490) 2.762 ======================= Grid point 152 (70/128) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 3.128 0.000 -3.326) 4.566 1.670 ( -1.006 0.000 -19.492) 19.518 1.725 ( 2.862 0.000 -28.876) 29.018 1.869 ( 0.731 0.000 -5.035) 5.088 2.141 ( -14.425 0.000 -6.987) 16.028 2.184 ( -1.385 0.000 -0.985) 1.700 2.251 ( -1.114 0.000 -0.701) 1.316 2.262 ( 12.863 0.000 -11.982) 17.580 2.548 ( 1.932 0.000 0.888) 2.126 2.838 ( 3.275 0.000 -2.167) 3.927 3.146 ( 0.165 0.000 18.367) 18.368 3.391 ( 3.711 0.000 2.925) 4.725 3.602 ( -9.100 0.000 -1.857) 9.288 3.943 ( -1.290 0.000 4.931) 5.097 4.072 ( 6.060 0.000 9.670) 11.412 4.105 ( -6.648 0.000 -25.365) 26.221 4.537 ( -10.288 0.000 4.567) 11.256 4.666 ( 8.347 0.000 0.634) 8.371 5.368 ( -1.574 0.000 -6.433) 6.622 5.684 ( -2.940 0.000 9.912) 10.339 5.811 ( 1.412 0.000 -2.233) 2.642 5.864 ( 3.453 0.000 2.334) 4.168 6.027 ( 4.325 0.000 6.938) 8.176 6.146 ( -3.240 0.000 -1.073) 3.413 6.460 ( -0.750 0.000 2.102) 2.232 6.517 ( 0.379 0.000 0.817) 0.901 6.621 ( 3.300 0.000 1.407) 3.587 7.207 ( -1.017 0.000 5.999) 6.084 7.738 ( 4.165 0.000 -6.632) 7.831 7.816 ( 3.479 0.000 2.053) 4.039 8.039 ( -3.622 0.000 -5.105) 6.260 8.395 ( -0.560 0.000 1.833) 1.916 8.433 ( 0.573 0.000 2.139) 2.214 8.537 ( -1.249 0.000 2.092) 2.436 9.006 ( -8.633 0.000 6.841) 11.015 9.158 ( 8.551 0.000 0.836) 8.592 9.176 ( -6.189 0.000 2.999) 6.877 9.401 ( -1.024 0.000 -0.635) 1.205 10.198 ( 8.702 0.000 -0.048) 8.702 10.438 ( -5.573 0.000 10.127) 11.559 10.462 ( -4.858 0.000 -7.130) 8.628 10.886 ( 10.473 0.000 -0.421) 10.481 11.052 ( -1.484 0.000 -5.955) 6.137 11.427 ( -1.444 0.000 1.316) 1.954 11.428 ( 6.864 0.000 -5.064) 8.530 11.524 ( -1.416 0.000 2.369) 2.760 11.548 ( 0.386 0.000 -19.333) 19.336 11.615 ( -2.243 0.000 -3.808) 4.419 11.850 ( -6.391 0.000 3.403) 7.241 12.173 ( 1.667 0.000 5.251) 5.509 12.265 ( 3.918 0.000 -0.728) 3.985 12.629 ( 2.828 0.000 -10.383) 10.762 12.932 ( -1.194 0.000 -4.800) 4.946 13.555 ( -0.886 0.000 -2.603) 2.750 13.722 ( 1.446 0.000 5.943) 6.117 13.746 ( -0.669 0.000 4.456) 4.506 14.280 ( 0.394 0.000 -0.326) 0.511 14.628 ( 2.989 0.000 8.203) 8.731 14.756 ( 0.092 0.000 1.184) 1.187 15.088 ( 6.207 0.000 -4.703) 7.787 15.588 ( -2.514 0.000 -5.437) 5.990 15.782 ( -3.790 0.000 0.455) 3.817 16.236 ( 2.424 0.000 3.026) 3.877 17.652 ( 0.568 0.000 2.135) 2.209 17.734 ( -0.390 0.000 -0.689) 0.792 17.905 ( -12.758 0.000 16.262) 20.669 18.136 ( -19.944 0.000 9.156) 21.945 18.380 ( 21.716 0.000 -3.625) 22.016 18.629 ( 8.367 0.000 -14.123) 16.416 19.894 ( -1.650 0.000 16.282) 16.366 20.664 ( -0.708 0.000 -1.129) 1.333 21.154 ( 0.243 0.000 -0.680) 0.722 23.120 ( -0.856 0.000 1.279) 1.539 24.672 ( 0.506 0.000 -10.200) 10.212 25.440 ( 2.882 0.000 1.983) 3.498 25.884 ( -0.941 0.000 -1.736) 1.974 27.937 ( -4.986 0.000 -0.365) 4.999 28.401 ( -0.753 0.000 -0.383) 0.844 ======================= Grid point 153 (71/128) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 1.570 0.000 -2.153) 2.665 1.458 ( -18.567 0.000 -20.762) 27.853 1.683 ( -5.371 0.000 -14.879) 15.818 1.830 ( -3.789 0.000 -14.499) 14.986 1.901 ( -7.744 0.000 -14.264) 16.231 2.225 ( 2.076 0.000 -1.835) 2.771 2.344 ( 13.791 0.000 -0.861) 13.818 2.517 ( 14.369 0.000 -5.014) 15.218 2.633 ( 5.971 0.000 -0.018) 5.971 2.915 ( 3.701 0.000 -3.871) 5.356 3.077 ( -8.899 0.000 20.210) 22.082 3.398 ( -5.311 0.000 -1.856) 5.626 3.579 ( 7.615 0.000 7.057) 10.382 3.918 ( -6.751 0.000 -16.339) 17.679 3.951 ( -0.590 0.000 -3.804) 3.850 4.077 ( -7.708 0.000 1.019) 7.775 4.354 ( -6.167 0.000 14.872) 16.100 4.843 ( 8.043 0.000 0.816) 8.084 5.283 ( -5.870 0.000 -12.950) 14.219 5.601 ( -6.399 0.000 8.610) 10.727 5.827 ( -0.142 0.000 0.694) 0.708 5.925 ( 0.962 0.000 2.078) 2.290 6.073 ( 3.998 0.000 0.913) 4.101 6.225 ( 7.896 0.000 3.293) 8.555 6.413 ( -7.620 0.000 2.927) 8.162 6.431 ( -2.419 0.000 2.464) 3.454 6.711 ( 5.343 0.000 0.886) 5.416 7.281 ( 5.508 0.000 3.753) 6.665 7.786 ( 2.465 0.000 -8.768) 9.108 7.841 ( -1.654 0.000 -2.759) 3.217 8.008 ( 1.840 0.000 0.180) 1.849 8.358 ( -6.884 0.000 5.048) 8.537 8.420 ( -1.379 0.000 1.952) 2.390 8.578 ( 4.734 0.000 1.133) 4.867 8.871 ( -1.449 0.000 3.030) 3.359 9.031 ( -8.194 0.000 5.764) 10.019 9.328 ( 7.210 0.000 2.018) 7.487 9.371 ( -2.068 0.000 0.331) 2.095 10.333 ( -2.891 0.000 -3.713) 4.706 10.362 ( -3.154 0.000 10.663) 11.119 10.407 ( 6.520 0.000 -4.651) 8.009 10.966 ( -0.892 0.000 -9.020) 9.064 11.132 ( 8.490 0.000 -4.025) 9.396 11.379 ( -9.207 0.000 -8.364) 12.439 11.430 ( 1.919 0.000 3.898) 4.345 11.506 ( -2.161 0.000 1.378) 2.563 11.595 ( 7.611 0.000 -10.794) 13.208 11.658 ( 3.113 0.000 -4.331) 5.333 11.714 ( -5.375 0.000 6.793) 8.663 12.225 ( 3.380 0.000 3.723) 5.028 12.377 ( 7.521 0.000 -5.670) 9.419 12.600 ( -4.465 0.000 -11.805) 12.621 12.996 ( 7.239 0.000 -1.506) 7.394 13.604 ( 6.083 0.000 -1.856) 6.360 13.715 ( -2.809 0.000 5.706) 6.360 13.736 ( -0.843 0.000 4.144) 4.229 14.288 ( 0.519 0.000 -0.039) 0.521 14.688 ( 2.442 0.000 4.911) 5.485 14.739 ( -2.002 0.000 1.598) 2.562 15.217 ( 7.362 0.000 -6.050) 9.529 15.485 ( -20.388 0.000 0.021) 20.388 15.522 ( -3.573 0.000 -4.776) 5.964 16.401 ( 8.106 0.000 4.265) 9.160 17.648 ( -9.115 0.000 11.645) 14.788 17.726 ( 5.297 0.000 -0.199) 5.301 17.748 ( -1.859 0.000 2.909) 3.452 17.761 ( -18.759 0.000 4.328) 19.252 18.754 ( 5.592 0.000 -10.457) 11.858 18.768 ( 18.379 0.000 -2.001) 18.488 19.959 ( 6.802 0.000 18.392) 19.609 20.669 ( 1.112 0.000 -0.276) 1.146 21.151 ( -0.322 0.000 -0.833) 0.893 23.106 ( -0.049 0.000 3.994) 3.995 24.619 ( -6.205 0.000 -14.050) 15.359 25.483 ( 1.436 0.000 -0.189) 1.448 25.835 ( -3.730 0.000 -1.242) 3.932 27.915 ( 2.441 0.000 4.123) 4.791 28.409 ( 1.448 0.000 0.350) 1.489 ======================= Grid point 154 (72/128) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.816 0.000 0.310) 0.873 1.000 ( -24.416 0.000 -12.908) 27.618 1.492 ( -12.037 0.000 -1.346) 12.112 1.789 ( 1.287 0.000 -18.306) 18.351 1.850 ( 5.130 0.000 -24.074) 24.615 2.228 ( -0.871 0.000 -1.767) 1.970 2.577 ( -1.468 0.000 13.722) 13.800 2.802 ( 14.120 0.000 -2.221) 14.293 2.824 ( 18.401 0.000 -3.309) 18.696 2.919 ( -3.668 0.000 -5.278) 6.427 2.920 ( -4.377 0.000 6.969) 8.229 3.283 ( -9.106 0.000 7.716) 11.935 3.659 ( -3.454 0.000 6.159) 7.061 3.753 ( -5.886 0.000 -25.507) 26.178 3.921 ( -0.668 0.000 -0.573) 0.880 3.997 ( 3.063 0.000 4.544) 5.480 4.338 ( 1.756 0.000 11.959) 12.087 4.898 ( -3.767 0.000 1.359) 4.005 5.170 ( -3.184 0.000 -17.727) 18.010 5.463 ( -8.165 0.000 8.713) 11.941 5.822 ( -11.774 0.000 -0.713) 11.795 5.832 ( 0.949 0.000 -0.877) 1.292 6.160 ( 2.868 0.000 -2.335) 3.698 6.355 ( 1.706 0.000 6.250) 6.479 6.375 ( -2.603 0.000 1.839) 3.187 6.427 ( 11.926 0.000 10.272) 15.740 6.814 ( 4.843 0.000 3.518) 5.986 7.360 ( 1.963 0.000 -1.189) 2.294 7.783 ( -2.398 0.000 -7.482) 7.856 7.809 ( -1.926 0.000 -5.993) 6.294 8.107 ( 7.839 0.000 4.789) 9.186 8.144 ( -10.969 0.000 5.459) 12.252 8.402 ( -0.636 0.000 1.240) 1.393 8.678 ( 3.437 0.000 -2.252) 4.109 8.917 ( -2.154 0.000 12.165) 12.355 8.978 ( 10.235 0.000 -0.122) 10.236 9.317 ( -3.401 0.000 -0.890) 3.516 9.432 ( 3.435 0.000 3.006) 4.565 10.228 ( -5.711 0.000 -7.437) 9.376 10.330 ( -1.257 0.000 11.710) 11.778 10.516 ( 2.656 0.000 -0.764) 2.764 10.944 ( 0.252 0.000 -13.254) 13.256 11.201 ( -7.803 0.000 -5.038) 9.288 11.202 ( -4.029 0.000 -0.060) 4.029 11.442 ( 0.675 0.000 2.018) 2.128 11.529 ( 7.130 0.000 1.045) 7.206 11.671 ( -2.300 0.000 -3.068) 3.834 11.718 ( 5.634 0.000 -11.098) 12.446 11.726 ( 4.248 0.000 5.456) 6.915 12.306 ( 3.983 0.000 1.522) 4.264 12.475 ( -6.283 0.000 -9.188) 11.131 12.546 ( 10.573 0.000 -6.869) 12.608 13.172 ( 10.348 0.000 2.135) 10.566 13.620 ( -7.552 0.000 6.799) 10.162 13.681 ( -2.664 0.000 -1.166) 2.908 13.802 ( 11.052 0.000 1.396) 11.140 14.302 ( 0.899 0.000 0.717) 1.150 14.679 ( -4.492 0.000 3.721) 5.833 14.725 ( 0.873 0.000 3.198) 3.315 15.104 ( -17.099 0.000 -3.440) 17.442 15.331 ( 0.856 0.000 1.047) 1.352 15.476 ( 3.505 0.000 -12.068) 12.567 16.482 ( -0.113 0.000 6.178) 6.180 17.448 ( -12.351 0.000 -1.929) 12.501 17.498 ( -5.747 0.000 7.476) 9.429 17.730 ( -0.689 0.000 0.347) 0.772 17.879 ( 9.409 0.000 0.205) 9.411 18.828 ( 2.857 0.000 -6.836) 7.409 19.089 ( 14.825 0.000 -1.746) 14.928 20.172 ( 12.557 0.000 18.667) 22.497 20.684 ( -0.381 0.000 0.630) 0.737 21.156 ( 1.426 0.000 -0.593) 1.544 23.101 ( -3.912 0.000 0.999) 4.038 24.428 ( -8.843 0.000 -10.415) 13.662 25.490 ( -0.809 0.000 -4.390) 4.464 25.756 ( -3.655 0.000 0.664) 3.715 28.010 ( 5.537 0.000 9.034) 10.596 28.448 ( 2.298 0.000 1.426) 2.704 ======================= Grid point 155 (73/128) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -5.844 0.000 13.603) 14.805 0.954 ( -3.697 0.000 4.468) 5.799 1.272 ( -9.445 0.000 1.941) 9.642 1.835 ( 4.456 0.000 -14.431) 15.103 2.046 ( 14.396 0.000 -24.084) 28.059 2.198 ( -1.778 0.000 -2.894) 3.397 2.397 ( -12.615 0.000 21.773) 25.164 2.722 ( -16.197 0.000 2.515) 16.391 2.929 ( 2.458 0.000 -5.679) 6.188 2.935 ( -10.345 0.000 5.201) 11.579 3.123 ( 6.323 0.000 4.461) 7.738 3.171 ( 12.041 0.000 0.276) 12.045 3.653 ( 3.321 0.000 2.294) 4.036 3.721 ( 7.395 0.000 -22.659) 23.836 3.957 ( 1.324 0.000 -8.278) 8.384 4.060 ( 3.113 0.000 3.584) 4.748 4.421 ( 5.391 0.000 6.576) 8.503 4.767 ( -7.381 0.000 -9.016) 11.652 5.079 ( -5.958 0.000 -6.151) 8.563 5.317 ( -7.291 0.000 7.501) 10.461 5.533 ( -16.461 0.000 -2.271) 16.617 5.849 ( 0.072 0.000 -3.235) 3.236 6.115 ( -7.073 0.000 0.039) 7.073 6.376 ( 2.711 0.000 2.015) 3.378 6.425 ( 3.392 0.000 7.579) 8.303 6.674 ( 10.781 0.000 7.772) 13.290 6.916 ( 5.969 0.000 8.152) 10.103 7.315 ( -8.306 0.000 -7.067) 10.905 7.670 ( -6.547 0.000 6.871) 9.491 7.772 ( 2.636 0.000 -5.443) 6.047 8.074 ( 1.210 0.000 -4.622) 4.778 8.310 ( 11.189 0.000 1.296) 11.264 8.396 ( 0.683 0.000 2.504) 2.595 8.671 ( -1.138 0.000 0.378) 1.199 8.971 ( 1.325 0.000 11.459) 11.535 9.200 ( 10.907 0.000 0.444) 10.916 9.280 ( 2.839 0.000 -0.770) 2.942 9.485 ( 2.859 0.000 3.283) 4.354 10.075 ( -10.439 0.000 -4.366) 11.316 10.328 ( -0.260 0.000 12.673) 12.676 10.547 ( 2.634 0.000 -2.178) 3.417 10.926 ( -2.864 0.000 -4.331) 5.193 11.079 ( -4.443 0.000 -0.377) 4.459 11.090 ( -2.913 0.000 -7.526) 8.070 11.534 ( 6.663 0.000 4.269) 7.913 11.551 ( -9.332 0.000 -4.058) 10.176 11.651 ( 3.345 0.000 -3.719) 5.002 11.789 ( 2.509 0.000 -11.494) 11.765 11.827 ( 5.147 0.000 4.679) 6.956 12.269 ( -6.634 0.000 -6.512) 9.296 12.464 ( 5.227 0.000 0.356) 5.239 12.766 ( 11.951 0.000 -5.204) 13.035 13.351 ( 3.394 0.000 5.826) 6.743 13.441 ( -11.117 0.000 8.626) 14.071 13.607 ( -0.764 0.000 -4.449) 4.514 14.045 ( 12.390 0.000 0.330) 12.395 14.322 ( 0.996 0.000 1.237) 1.589 14.566 ( -7.432 0.000 8.242) 11.098 14.718 ( -2.523 0.000 4.025) 4.750 14.857 ( -7.611 0.000 -7.845) 10.930 15.225 ( -7.747 0.000 2.051) 8.014 15.686 ( 15.927 0.000 -12.990) 20.553 16.443 ( -3.053 0.000 3.306) 4.500 17.345 ( 4.540 0.000 -9.209) 10.267 17.442 ( -0.708 0.000 2.180) 2.293 17.718 ( -0.605 0.000 -0.106) 0.614 18.064 ( 9.076 0.000 0.407) 9.085 18.856 ( 0.425 0.000 -3.159) 3.187 19.337 ( 10.945 0.000 -2.333) 11.190 20.418 ( 9.050 0.000 13.796) 16.499 20.640 ( -3.972 0.000 0.667) 4.028 21.214 ( 4.281 0.000 0.402) 4.299 22.662 ( -46.886 0.000 -31.696) 56.594 24.572 ( 30.401 0.000 29.300) 42.222 25.439 ( -3.673 0.000 -8.619) 9.369 25.715 ( -0.676 0.000 2.877) 2.955 28.095 ( 1.143 0.000 10.546) 10.608 28.492 ( 1.944 0.000 2.392) 3.082 ======================= Grid point 156 (74/128) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 18.070 0.000 27.873) 33.218 0.875 ( -3.930 0.000 11.462) 12.117 1.149 ( -3.762 0.000 1.895) 4.212 1.909 ( 3.533 0.000 -14.334) 14.763 2.046 ( -18.030 0.000 26.829) 32.325 2.156 ( -3.010 0.000 -1.132) 3.216 2.247 ( -2.329 0.000 17.448) 17.603 2.566 ( 6.622 0.000 -24.709) 25.581 2.770 ( -5.564 0.000 -0.816) 5.623 2.968 ( 2.479 0.000 -9.274) 9.600 3.270 ( 1.367 0.000 -2.965) 3.265 3.286 ( 8.378 0.000 0.674) 8.405 3.738 ( 4.656 0.000 -0.133) 4.658 3.931 ( 8.690 0.000 -10.139) 13.353 3.941 ( -1.866 0.000 -15.809) 15.919 4.171 ( 11.151 0.000 1.816) 11.297 4.465 ( -6.597 0.000 -2.557) 7.075 4.650 ( 0.510 0.000 -4.804) 4.831 4.992 ( -1.337 0.000 1.770) 2.218 5.136 ( -16.649 0.000 4.920) 17.361 5.274 ( -4.690 0.000 -3.246) 5.704 5.777 ( -7.802 0.000 0.733) 7.836 5.974 ( -5.047 0.000 -3.683) 6.248 6.453 ( 4.488 0.000 3.975) 5.995 6.474 ( 0.819 0.000 8.650) 8.688 6.831 ( 5.921 0.000 4.603) 7.499 7.025 ( 2.193 0.000 5.263) 5.701 7.066 ( -13.223 0.000 -2.486) 13.455 7.666 ( 3.911 0.000 1.238) 4.103 7.898 ( 9.547 0.000 -3.257) 10.087 8.091 ( 0.192 0.000 -5.778) 5.781 8.350 ( -2.317 0.000 -2.359) 3.306 8.544 ( 7.123 0.000 3.814) 8.080 8.733 ( 6.623 0.000 -4.571) 8.047 8.912 ( -2.777 0.000 10.011) 10.389 9.320 ( 0.817 0.000 5.085) 5.150 9.435 ( 6.457 0.000 -1.108) 6.552 9.611 ( 9.424 0.000 -0.387) 9.432 9.872 ( -4.495 0.000 9.182) 10.223 10.339 ( 0.607 0.000 14.579) 14.591 10.626 ( 3.887 0.000 -3.470) 5.211 10.855 ( -2.122 0.000 -4.341) 4.832 11.027 ( -1.143 0.000 2.592) 2.833 11.074 ( -0.075 0.000 -5.980) 5.980 11.343 ( -10.167 0.000 -7.099) 12.400 11.538 ( -11.537 0.000 -3.066) 11.938 11.730 ( 9.903 0.000 3.838) 10.621 11.789 ( -1.679 0.000 -9.167) 9.319 11.922 ( 3.566 0.000 2.949) 4.627 12.173 ( -1.746 0.000 -2.908) 3.392 12.577 ( 6.039 0.000 -0.836) 6.097 12.967 ( 7.278 0.000 -0.078) 7.278 13.189 ( -15.550 0.000 -0.950) 15.579 13.235 ( -8.846 0.000 6.107) 10.749 13.759 ( 12.074 0.000 -0.307) 12.078 14.234 ( 5.824 0.000 1.049) 5.918 14.343 ( 1.435 0.000 0.105) 1.439 14.433 ( -6.625 0.000 11.229) 13.038 14.608 ( -8.528 0.000 4.986) 9.879 14.772 ( -1.150 0.000 -8.555) 8.632 15.126 ( -1.862 0.000 -0.697) 1.988 15.961 ( 9.683 0.000 -6.817) 11.842 16.408 ( 0.122 0.000 -2.882) 2.884 17.461 ( 2.417 0.000 -1.793) 3.009 17.706 ( 34.187 0.000 -16.404) 37.918 17.708 ( -0.367 0.000 -0.384) 0.531 18.212 ( 5.747 0.000 0.490) 5.768 18.839 ( -2.020 0.000 0.771) 2.162 19.510 ( 7.090 0.000 -2.723) 7.595 20.368 ( -29.163 0.000 0.059) 29.163 20.556 ( -3.949 0.000 0.352) 3.965 21.300 ( 3.830 0.000 1.188) 4.010 21.347 ( -66.705 0.000 -23.690) 70.787 25.348 ( -4.430 0.000 -8.900) 9.942 25.652 ( 72.486 0.000 38.046) 81.864 25.725 ( 1.199 0.000 2.228) 2.530 28.029 ( -9.464 0.000 6.216) 11.323 28.526 ( 1.308 0.000 2.854) 3.139 ======================= Grid point 157 (75/128) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -5.279 7.584 20.064) 22.090 1.367 ( 0.700 29.893 14.545) 33.251 1.717 ( -2.060 29.672 -4.040) 30.017 1.958 ( 7.740 4.911 6.521) 11.250 2.091 ( 5.445 30.321 8.511) 31.960 2.169 ( 2.353 1.679 12.727) 13.051 2.548 ( -2.025 16.769 -0.607) 16.902 2.637 ( 0.264 12.434 -14.823) 19.349 2.720 ( -0.751 1.630 -1.689) 2.465 3.006 ( 1.831 -2.233 -7.209) 7.766 3.266 ( 2.474 -0.535 -8.214) 8.595 3.569 ( 9.849 10.286 -4.269) 14.867 3.789 ( -2.641 2.884 -0.081) 3.911 3.850 ( -1.474 -0.847 -15.917) 16.007 4.119 ( 3.141 7.456 -12.713) 15.069 4.280 ( -0.309 1.557 2.442) 2.912 4.630 ( 1.595 12.570 -4.747) 13.531 4.721 ( 2.489 1.430 2.852) 4.047 4.808 ( -13.307 3.279 7.106) 15.438 4.961 ( -0.795 -1.974 -3.484) 4.082 5.405 ( 0.789 12.061 -4.146) 12.778 5.665 ( -0.081 -0.601 3.577) 3.628 5.857 ( -1.522 -5.861 -5.680) 8.302 6.341 ( -0.648 -12.403 7.074) 14.293 6.475 ( 0.022 -2.804 8.002) 8.479 6.632 ( -2.758 -7.042 3.641) 8.393 6.951 ( 1.706 2.686 4.771) 5.735 7.148 ( -2.537 -3.179 0.567) 4.107 7.658 ( 5.531 -9.317 -6.032) 12.401 7.858 ( -2.121 0.107 -2.433) 3.230 8.256 ( -1.398 3.482 1.436) 4.018 8.467 ( -3.163 1.178 -5.077) 6.097 8.652 ( -1.180 6.874 0.733) 7.013 8.739 ( 3.234 5.965 0.067) 6.786 8.914 ( -0.516 -3.654 4.091) 5.510 9.416 ( 3.113 3.126 -4.257) 6.131 9.425 ( -3.992 5.490 3.881) 7.819 9.681 ( -3.190 -3.362 -1.829) 4.982 10.003 ( 19.213 -8.410 15.354) 25.993 10.532 ( -1.431 -6.135 -5.601) 8.429 10.567 ( 1.559 4.856 4.821) 7.018 10.863 ( 0.829 8.560 -0.853) 8.642 10.956 ( -1.921 -5.423 2.342) 6.211 11.080 ( 1.082 3.266 -1.102) 3.612 11.252 ( -5.091 6.463 -9.994) 12.945 11.411 ( -4.619 7.064 0.085) 8.441 11.662 ( -3.205 -1.780 -3.010) 4.744 11.917 ( 5.985 -1.381 0.857) 6.201 12.037 ( -4.850 7.901 0.624) 9.292 12.192 ( 2.534 3.198 0.871) 4.172 12.644 ( 9.371 -7.388 -0.282) 11.936 12.755 ( -10.280 -7.798 -3.381) 13.339 13.074 ( -9.388 8.901 8.355) 15.401 13.280 ( 4.929 3.551 -1.182) 6.189 13.720 ( 0.241 -16.334 2.234) 16.488 14.168 ( -0.709 -11.850 6.426) 13.499 14.263 ( -5.641 -9.100 5.167) 11.889 14.349 ( 1.698 -4.387 4.123) 6.255 14.547 ( 6.289 1.746 1.602) 6.721 14.845 ( -4.280 -0.535 -5.463) 6.961 15.213 ( -0.458 12.294 0.023) 12.302 15.994 ( -4.432 24.468 -4.728) 25.311 16.746 ( 3.407 16.507 -5.269) 17.659 17.458 ( -7.611 -10.701 1.279) 13.193 17.575 ( -2.760 0.280 2.450) 3.701 18.217 ( 10.956 -0.412 -3.146) 11.406 18.306 ( -10.407 18.982 -9.922) 23.814 18.765 ( -4.285 -1.486 4.268) 6.227 19.578 ( -10.017 1.103 1.273) 10.158 19.764 ( 0.332 15.706 -5.175) 16.540 20.481 ( -0.634 -2.970 0.322) 3.054 21.235 ( -3.989 8.951 0.980) 9.848 21.394 ( -3.212 35.772 -9.926) 37.262 25.166 ( -3.561 -10.153 -7.539) 13.138 25.754 ( 2.042 -0.058 1.076) 2.309 26.711 ( 33.178 -23.599 6.409) 41.216 27.828 ( -0.437 0.838 0.829) 1.257 28.528 ( 0.684 -2.470 2.603) 3.653 ======================= Grid point 158 (76/128) ======================= q-point: ( 0.10 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -9.674 11.396 17.764) 23.217 1.467 ( 6.714 31.197 8.753) 33.090 1.687 ( -1.090 30.789 -5.998) 31.387 2.051 ( 1.642 12.973 -10.385) 16.699 2.251 ( 2.767 13.898 1.802) 14.285 2.342 ( 7.369 4.626 7.985) 11.809 2.451 ( 2.185 7.070 -6.488) 9.841 2.678 ( 5.220 20.775 14.098) 25.643 2.736 ( 2.250 5.634 -1.713) 6.304 3.013 ( -0.545 -3.327 -2.855) 4.418 3.337 ( 5.486 -1.747 -11.883) 13.204 3.585 ( -12.221 6.122 -3.627) 14.142 3.652 ( -8.589 2.409 0.064) 8.921 3.912 ( 7.536 3.973 -23.755) 25.237 4.113 ( -0.061 8.808 -16.629) 18.818 4.269 ( 0.443 4.980 4.193) 6.525 4.438 ( -9.183 7.230 2.129) 11.880 4.720 ( -1.478 1.295 -0.105) 1.968 4.907 ( -0.330 -0.784 3.661) 3.758 4.973 ( 14.495 7.282 4.727) 16.896 5.472 ( 5.892 6.239 -2.770) 9.017 5.769 ( 7.286 -2.600 3.617) 8.539 5.865 ( 3.115 -4.449 -4.356) 6.962 6.333 ( -1.315 -10.734 9.053) 14.103 6.449 ( -3.475 -2.953 5.954) 7.500 6.577 ( -3.165 -8.197 4.104) 9.699 6.868 ( -6.692 1.410 4.045) 7.945 7.256 ( 9.604 -1.648 0.406) 9.753 7.725 ( -3.304 -4.433 -6.467) 8.509 7.811 ( 3.198 0.080 -0.148) 3.202 8.188 ( -5.701 11.066 3.306) 12.880 8.369 ( -4.407 6.805 -0.247) 8.111 8.652 ( -0.161 -1.018 5.197) 5.298 8.758 ( -0.766 5.385 -4.424) 7.011 8.872 ( -2.497 -3.085 2.770) 4.840 9.309 ( -5.910 5.519 2.602) 8.494 9.486 ( 0.155 1.285 -1.215) 1.775 9.579 ( -5.779 -3.139 1.181) 6.682 10.352 ( -0.641 -6.482 -6.077) 8.908 10.398 ( 4.378 -2.455 6.153) 7.941 10.658 ( 3.421 -5.510 -0.971) 6.558 10.820 ( -3.529 5.955 4.732) 8.385 10.945 ( 2.020 5.607 -0.143) 5.961 11.134 ( 5.267 3.070 -1.212) 6.216 11.181 ( 2.422 4.083 -11.924) 12.835 11.479 ( 6.339 4.191 0.679) 7.629 11.570 ( -5.260 2.142 0.356) 5.690 11.827 ( -9.309 0.646 -2.723) 9.721 12.063 ( 2.452 6.634 3.649) 7.959 12.179 ( -3.614 1.218 -1.171) 3.990 12.577 ( -7.228 -6.026 -4.412) 10.394 12.774 ( -2.608 -1.971 3.179) 4.560 13.071 ( 12.652 1.220 3.507) 13.186 13.372 ( 4.158 1.132 3.801) 5.746 13.629 ( -9.044 -15.650 1.806) 18.165 14.124 ( -6.220 -6.048 1.641) 8.830 14.171 ( -1.720 -16.178 10.928) 19.599 14.386 ( 1.709 -2.625 4.285) 5.308 14.694 ( 0.405 -7.213 0.868) 7.277 14.798 ( 5.827 -1.287 -3.623) 6.981 15.248 ( 4.968 14.297 0.216) 15.137 15.755 ( -17.540 46.367 0.348) 49.575 16.842 ( 4.808 21.011 -3.915) 21.907 17.097 ( -15.850 -8.777 8.811) 20.147 17.658 ( 7.533 1.099 -9.001) 11.788 18.007 ( -9.118 26.204 -5.519) 28.288 18.267 ( -2.405 2.729 -1.776) 4.048 18.664 ( -6.212 -1.212 7.453) 9.778 19.372 ( -9.046 -3.592 2.495) 10.048 20.175 ( 17.754 0.041 7.765) 19.378 20.504 ( 2.952 -3.719 0.703) 4.800 21.236 ( 0.364 -3.715 2.121) 4.293 21.543 ( 23.038 38.328 -6.696) 45.217 25.119 ( -0.558 -10.225 -4.060) 11.016 25.780 ( 0.578 -0.170 -0.930) 1.108 26.551 ( -33.731 -12.595 -15.891) 39.357 28.148 ( 19.136 -9.844 -0.810) 21.535 28.537 ( -0.009 -2.290 1.914) 2.984 ======================= Grid point 159 (77/128) ======================= q-point: ( 0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 12.826 11.537 -5.147) 18.003 1.598 ( 5.085 23.489 -1.310) 24.069 1.657 ( -1.573 33.153 -3.151) 33.339 2.059 ( 0.063 20.456 -10.709) 23.089 2.130 ( -8.345 4.375 -16.670) 19.149 2.390 ( 4.292 14.020 0.678) 14.678 2.575 ( 1.444 14.506 4.693) 15.314 2.786 ( 3.482 5.326 -0.601) 6.392 2.890 ( 3.739 -4.536 8.639) 10.449 3.054 ( 11.100 7.635 13.450) 19.037 3.260 ( -13.650 5.591 -6.314) 16.045 3.322 ( -18.746 3.329 -1.731) 19.118 3.501 ( 1.891 -0.926 -8.570) 8.825 3.910 ( -0.853 11.005 -17.475) 20.670 4.145 ( -0.965 4.463 -7.519) 8.797 4.298 ( 2.233 6.212 -8.261) 10.575 4.463 ( 8.073 3.139 3.356) 9.289 4.727 ( 2.656 1.039 -1.217) 3.101 4.879 ( 1.439 -0.552 0.879) 1.774 5.319 ( 17.345 4.138 7.195) 19.228 5.595 ( 6.064 2.121 -0.990) 6.500 5.864 ( 3.221 -0.800 -0.861) 3.429 5.952 ( 3.061 -1.536 2.841) 4.450 6.285 ( -4.550 -5.812 12.547) 14.557 6.354 ( -5.393 -7.054 2.667) 9.272 6.538 ( -1.281 -6.714 3.996) 7.918 6.765 ( -4.045 2.455 3.159) 5.689 7.438 ( 7.791 -2.439 -0.413) 8.174 7.635 ( -1.377 15.029 -2.827) 15.354 7.881 ( -0.621 -1.215 4.037) 4.262 8.115 ( 1.031 15.629 1.110) 15.702 8.333 ( -0.102 0.775 1.841) 2.000 8.537 ( -9.731 -0.297 -3.652) 10.398 8.793 ( 2.442 -12.712 8.839) 15.674 8.863 ( 1.898 11.783 -3.784) 12.521 9.165 ( -9.130 6.191 3.132) 11.467 9.427 ( -4.122 -2.158 -2.867) 5.465 9.490 ( -3.522 -0.093 3.774) 5.163 10.252 ( -3.672 -3.290 -10.909) 11.972 10.423 ( -1.476 3.896 2.565) 4.892 10.699 ( -4.599 -6.543 2.143) 8.280 10.792 ( 0.942 -1.310 9.373) 9.511 11.052 ( 8.131 0.888 -4.855) 9.512 11.228 ( 4.976 3.028 -18.173) 19.083 11.307 ( 7.251 2.153 3.609) 8.381 11.487 ( -1.840 5.055 1.650) 5.627 11.582 ( 2.555 1.691 -0.518) 3.108 11.674 ( -4.281 4.427 -2.737) 6.740 12.062 ( -3.703 1.505 -3.271) 5.165 12.115 ( -0.265 5.920 4.144) 7.231 12.469 ( -3.494 -5.649 -2.960) 7.272 12.643 ( -8.881 3.303 1.795) 9.644 13.357 ( 9.122 -3.354 4.428) 10.680 13.410 ( -9.035 -12.243 -0.414) 15.221 13.459 ( 4.452 -0.347 6.438) 7.835 13.979 ( -8.078 -5.813 0.068) 9.952 14.156 ( -1.002 -13.852 6.529) 15.346 14.432 ( 1.341 -5.826 8.909) 10.729 14.683 ( 4.080 -3.124 2.289) 5.625 14.917 ( 3.075 -4.202 -3.356) 6.195 15.374 ( 2.478 23.528 -2.572) 23.797 15.545 ( 2.551 43.057 0.390) 43.135 16.791 ( -5.593 11.960 1.968) 13.349 17.133 ( 12.347 -1.623 -1.183) 12.509 17.806 ( 7.077 2.429 -7.224) 10.400 17.920 ( -1.158 18.887 -2.672) 19.110 18.193 ( -3.217 3.290 -5.913) 7.492 18.542 ( -7.019 -0.395 9.038) 11.451 19.151 ( -14.048 -4.044 5.417) 15.590 20.288 ( -3.486 2.317 13.632) 14.260 20.593 ( 5.148 -4.752 0.824) 7.054 21.183 ( -4.741 -6.595 -0.466) 8.135 22.195 ( 37.283 23.864 1.861) 44.306 25.140 ( 2.862 -9.048 -0.536) 9.505 25.700 ( -23.196 -5.191 -14.023) 27.597 25.871 ( -15.223 1.355 -10.223) 18.387 28.331 ( 0.739 -8.981 -0.732) 9.041 28.528 ( -1.169 -1.658 0.883) 2.212 ======================= Grid point 160 (78/128) ======================= q-point: ( 0.30 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 23.693 7.067 -19.424) 31.442 1.593 ( -1.978 15.480 -11.800) 19.565 1.662 ( 0.950 26.513 -3.100) 26.711 1.994 ( -1.148 20.836 -12.954) 24.561 2.119 ( 4.474 21.169 -8.326) 23.183 2.458 ( 1.994 12.112 1.537) 12.371 2.553 ( -4.091 12.915 2.271) 13.736 2.781 ( -10.341 -1.092 -2.151) 10.619 2.816 ( -9.235 3.883 -0.019) 10.018 2.928 ( -8.224 7.180 -3.090) 11.346 3.054 ( -4.267 4.500 0.518) 6.223 3.433 ( 12.285 0.449 15.144) 19.505 3.483 ( 1.699 8.267 -1.839) 8.638 3.958 ( 5.628 4.741 -15.438) 17.102 4.081 ( -5.180 3.031 -3.815) 7.111 4.286 ( -1.398 7.511 -10.008) 12.591 4.559 ( 1.281 1.445 4.451) 4.852 4.736 ( -1.491 -0.302 5.934) 6.126 5.079 ( 15.466 -1.303 -11.062) 19.060 5.602 ( 10.191 -0.548 8.053) 13.000 5.688 ( 3.792 -1.325 -0.113) 4.019 5.902 ( -0.924 1.410 0.378) 1.728 5.936 ( -3.576 2.341 6.226) 7.552 6.203 ( -2.558 -6.457 12.218) 14.054 6.325 ( 1.701 -7.838 0.394) 8.030 6.514 ( -1.597 0.746 2.942) 3.430 6.722 ( 0.031 9.076 1.642) 9.223 7.494 ( -1.738 0.077 -0.371) 1.779 7.730 ( 8.959 14.403 -3.059) 17.235 7.813 ( -3.413 14.627 5.370) 15.951 8.174 ( 0.499 4.092 -2.923) 5.054 8.330 ( -1.494 -2.695 3.223) 4.459 8.391 ( -2.389 -0.094 0.011) 2.390 8.804 ( -0.051 -5.297 4.936) 7.241 8.900 ( -1.650 11.908 -2.279) 12.236 9.044 ( -0.466 -2.926 3.617) 4.675 9.368 ( -1.726 -3.340 -3.723) 5.291 9.438 ( -2.475 2.991 3.936) 5.528 10.134 ( -6.213 -4.098 -9.191) 11.826 10.483 ( 5.418 0.687 4.210) 6.896 10.605 ( -3.387 -2.961 -2.178) 4.998 10.750 ( -5.313 2.214 10.717) 12.165 11.156 ( 1.269 0.159 -1.408) 1.902 11.281 ( 3.449 5.128 -17.849) 18.889 11.399 ( 0.904 -4.235 -1.706) 4.655 11.490 ( 1.972 0.715 1.144) 2.389 11.565 ( -1.734 0.578 0.712) 1.962 11.712 ( 5.259 11.584 -3.534) 13.204 11.999 ( -1.277 2.290 -6.294) 6.819 12.137 ( 1.201 5.811 7.365) 9.458 12.436 ( -0.552 -6.686 -4.072) 7.848 12.465 ( -7.863 4.795 -0.566) 9.227 13.158 ( -11.290 -6.371 0.133) 12.964 13.522 ( 3.154 -4.716 5.900) 8.185 13.571 ( 5.138 -4.021 3.022) 7.190 13.836 ( -5.637 -2.239 -0.989) 6.145 14.154 ( 0.490 -11.285 2.975) 11.680 14.441 ( -0.060 -7.293 10.031) 12.402 14.834 ( 5.932 -7.426 -1.210) 9.581 14.989 ( 9.129 4.889 1.598) 10.479 15.372 ( 0.758 36.093 -4.320) 36.358 15.721 ( 10.035 20.641 -2.413) 23.078 16.681 ( -6.868 8.455 1.981) 11.072 17.428 ( 16.950 -2.067 -0.783) 17.093 17.833 ( -3.474 6.242 3.664) 8.029 17.945 ( 2.998 16.380 -4.166) 17.166 18.207 ( 4.868 1.665 -9.534) 10.833 18.412 ( -6.093 -0.176 5.140) 7.973 18.851 ( -17.116 -2.080 8.694) 19.310 20.167 ( -8.839 3.030 13.404) 16.339 20.670 ( 2.118 -3.833 0.348) 4.393 21.090 ( -3.952 -8.097 -1.357) 9.112 22.830 ( 25.609 13.942 7.030) 29.994 25.089 ( -24.867 2.175 -21.225) 32.766 25.222 ( 4.318 -7.127 2.126) 8.600 25.828 ( 0.899 -1.596 -2.831) 3.372 28.243 ( -8.241 -5.566 -0.817) 9.978 28.490 ( -2.655 -0.969 -0.012) 2.826 ======================= Grid point 161 (79/128) ======================= q-point: ( 0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 5.168 7.122 -17.618) 19.693 1.601 ( 5.008 19.280 -14.741) 24.781 1.800 ( 13.590 18.806 -9.760) 25.172 2.016 ( 5.272 22.600 -12.058) 26.152 2.196 ( 1.718 20.264 -5.492) 21.065 2.391 ( -9.944 6.772 -4.582) 12.874 2.468 ( -1.214 12.453 0.147) 12.513 2.482 ( -14.900 2.834 -4.898) 15.938 2.687 ( -1.608 15.561 1.540) 15.719 2.855 ( -3.765 4.231 -2.058) 6.026 3.075 ( 3.413 -0.234 11.205) 11.715 3.413 ( -1.125 6.960 0.116) 7.051 3.724 ( 6.258 0.472 5.664) 8.454 3.923 ( -5.007 1.117 -2.814) 5.851 4.077 ( 4.462 4.999 -3.730) 7.669 4.247 ( -1.915 7.510 -11.225) 13.641 4.578 ( 1.584 2.035 3.343) 4.222 4.690 ( -4.374 0.139 2.143) 4.872 5.298 ( 6.518 -3.875 -6.522) 10.002 5.701 ( -1.387 -1.958 10.463) 10.735 5.767 ( 4.223 -0.525 -0.151) 4.258 5.838 ( -1.950 -0.996 -0.547) 2.257 5.921 ( 2.768 2.252 6.830) 7.706 6.200 ( -0.978 -4.798 6.789) 8.371 6.369 ( 1.906 -6.767 0.871) 7.084 6.492 ( -0.267 -1.923 2.465) 3.137 6.796 ( 7.050 22.976 -0.386) 24.037 7.385 ( -8.368 4.661 1.178) 9.651 7.773 ( 0.170 9.770 1.732) 9.924 7.930 ( 8.667 16.592 -1.776) 18.803 8.110 ( -4.202 -4.453 -4.141) 7.391 8.267 ( -3.951 -1.995 3.568) 5.685 8.429 ( 3.494 7.507 3.108) 8.844 8.765 ( -4.291 2.225 2.080) 5.262 8.928 ( 6.017 0.298 -0.520) 6.047 9.071 ( 0.462 -1.897 3.645) 4.135 9.335 ( -2.305 -1.726 -3.960) 4.896 9.384 ( -3.474 1.623 3.175) 4.978 10.066 ( 1.054 -3.559 -2.989) 4.766 10.471 ( -4.733 -6.492 -1.220) 8.126 10.644 ( -5.766 5.755 9.862) 12.791 10.691 ( 9.488 1.789 -0.861) 9.694 11.118 ( -3.488 1.169 -0.306) 3.692 11.362 ( 0.191 1.003 -5.008) 5.111 11.369 ( 3.660 -1.957 -9.765) 10.610 11.523 ( -3.005 -0.783 -0.745) 3.193 11.553 ( 3.781 2.821 -4.323) 6.398 11.776 ( 0.642 8.607 -4.682) 9.819 11.993 ( -0.127 6.865 -5.072) 8.537 12.154 ( -0.281 2.389 7.742) 8.107 12.321 ( -4.132 4.895 1.154) 6.509 12.493 ( 4.801 -5.456 -8.443) 11.140 12.976 ( -7.173 -5.046 -2.542) 9.131 13.502 ( -3.990 -9.973 -1.245) 10.813 13.657 ( 3.305 -2.882 6.309) 7.683 13.782 ( -0.666 2.307 2.629) 3.561 14.174 ( 1.243 -9.139 0.912) 9.268 14.469 ( 2.071 -6.802 8.374) 10.986 14.887 ( 2.178 -7.258 -2.392) 7.946 15.230 ( 11.244 9.620 1.119) 14.840 15.387 ( 0.363 26.409 -4.052) 26.720 15.909 ( 10.165 19.869 -2.492) 22.457 16.509 ( -10.723 9.770 2.408) 14.705 17.692 ( 4.983 1.160 1.451) 5.318 17.783 ( 1.907 4.633 2.996) 5.837 18.042 ( 6.250 9.316 1.047) 11.267 18.180 ( -4.729 6.096 8.402) 11.407 18.443 ( 6.121 -2.035 -13.009) 14.521 18.517 ( -15.611 0.330 7.319) 17.245 20.008 ( -7.681 3.019 13.245) 15.606 20.670 ( -1.557 -2.568 -0.952) 3.150 21.048 ( -0.319 -10.245 -0.814) 10.282 23.160 ( 8.008 10.275 4.234) 13.698 24.770 ( -6.462 5.650 -14.080) 16.490 25.314 ( 4.311 -6.187 3.111) 8.157 25.850 ( 1.192 -2.974 -2.551) 4.095 28.060 ( -9.347 -3.010 -1.520) 9.937 28.435 ( -2.639 -0.659 -0.477) 2.762 ======================= Grid point 162 (80/128) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 7.388 20.684 -23.223) 31.964 1.684 ( 2.549 10.401 -13.404) 17.157 1.891 ( -0.742 25.592 -15.219) 29.785 2.071 ( -7.147 15.711 -3.389) 17.589 2.158 ( -4.252 2.358 -3.921) 6.246 2.221 ( -5.941 12.893 -5.815) 15.341 2.371 ( 9.193 10.932 -7.170) 15.982 2.465 ( 1.128 11.651 -1.235) 11.771 2.689 ( 0.413 18.719 1.524) 18.785 2.822 ( 1.370 -1.211 -1.584) 2.419 3.132 ( 0.135 -0.535 15.196) 15.206 3.434 ( 3.521 6.093 1.711) 7.243 3.651 ( -7.307 5.073 -0.253) 8.898 3.944 ( 2.405 0.009 3.666) 4.385 4.080 ( -4.772 -1.400 -18.182) 18.849 4.228 ( 0.505 13.023 5.634) 14.198 4.547 ( -9.283 0.815 2.704) 9.703 4.667 ( 6.737 0.213 1.662) 6.943 5.336 ( -1.471 -3.334 -5.290) 6.424 5.645 ( -3.379 -3.478 9.277) 10.468 5.795 ( 1.010 -1.674 -1.210) 2.299 5.882 ( 2.313 -0.498 1.826) 2.988 6.016 ( 4.822 0.795 7.079) 8.602 6.180 ( 0.782 2.542 1.529) 3.067 6.386 ( -0.086 -5.230 1.848) 5.547 6.521 ( 2.689 -8.747 1.014) 9.207 6.883 ( -2.383 30.334 -0.843) 30.440 7.276 ( 0.513 3.838 2.060) 4.386 7.787 ( 1.232 7.054 -0.062) 7.161 7.978 ( -4.152 6.156 3.329) 8.137 8.046 ( -2.451 -3.095 -2.466) 4.655 8.278 ( 5.415 2.085 -1.000) 5.888 8.502 ( 3.560 15.007 -0.015) 15.423 8.712 ( -0.258 4.146 1.756) 4.510 8.965 ( -4.775 -7.389 4.153) 9.729 9.108 ( 2.374 6.114 2.444) 6.999 9.234 ( -5.303 0.575 -2.055) 5.716 9.344 ( -0.998 -5.071 1.692) 5.438 10.175 ( 9.235 -2.226 -0.030) 9.499 10.370 ( -5.213 -6.157 -4.026) 9.016 10.557 ( -3.784 8.312 7.932) 12.096 10.882 ( 9.716 -1.769 0.089) 9.876 11.057 ( -2.369 1.619 -4.268) 5.143 11.324 ( -1.205 -5.424 0.294) 5.564 11.427 ( -5.539 -3.425 -2.269) 6.896 11.504 ( 8.264 5.392 -9.340) 13.587 11.643 ( 4.698 3.244 -4.361) 7.185 11.716 ( -5.270 8.473 -7.481) 12.471 11.947 ( -4.599 9.447 1.061) 10.561 12.149 ( -0.250 -1.797 5.018) 5.336 12.317 ( 3.103 4.915 -1.433) 5.987 12.579 ( 3.397 -4.418 -9.471) 10.989 12.889 ( -0.812 -4.383 -3.786) 5.848 13.443 ( -0.716 -10.102 -2.523) 10.436 13.699 ( 0.552 -3.893 6.542) 7.633 13.785 ( 0.100 3.405 4.105) 5.335 14.198 ( 1.064 -7.250 -0.242) 7.331 14.523 ( 2.452 -6.338 5.719) 8.882 14.939 ( 3.220 -7.588 -2.461) 8.602 15.338 ( -3.117 -14.787 -4.205) 15.686 15.391 ( 3.494 49.660 -0.517) 49.786 16.024 ( -4.286 16.574 0.079) 17.120 16.374 ( 2.513 11.623 1.311) 11.963 17.706 ( 0.955 4.697 1.642) 5.067 17.846 ( 1.771 10.485 1.131) 10.694 17.916 ( -12.754 1.734 15.678) 20.285 18.148 ( -18.928 1.690 8.768) 20.928 18.394 ( 17.726 1.581 -3.035) 18.054 18.619 ( 8.492 -0.979 -13.422) 15.914 19.927 ( -1.225 3.404 14.364) 14.813 20.639 ( -0.828 -2.531 -1.183) 2.914 21.054 ( 0.479 -10.460 -0.632) 10.490 23.211 ( -0.561 10.014 1.198) 10.101 24.732 ( 0.571 6.265 -9.481) 11.378 25.387 ( 2.949 -5.869 2.387) 6.988 25.854 ( -1.008 -3.331 -2.220) 4.129 27.916 ( -4.558 -1.602 -0.273) 4.839 28.400 ( -0.773 -0.637 -0.362) 1.065 ======================= Grid point 163 (81/128) ======================= q-point: (-0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -17.965 5.538 -19.719) 27.244 1.733 ( -1.241 16.693 -23.454) 28.815 1.865 ( -0.153 43.158 -5.834) 43.550 1.904 ( -6.186 7.853 -13.073) 16.457 2.052 ( -5.660 15.760 0.044) 16.745 2.316 ( 14.783 2.485 -3.174) 15.322 2.489 ( 2.951 16.390 -0.941) 16.680 2.584 ( 9.640 2.694 -6.838) 12.122 2.696 ( 0.292 12.656 3.297) 13.081 2.896 ( 5.505 -1.020 -1.724) 5.858 3.073 ( -7.538 1.439 15.094) 16.933 3.487 ( -2.380 9.799 -0.552) 10.099 3.604 ( 5.366 3.334 4.704) 7.876 3.926 ( -6.735 -0.367 -19.822) 20.938 3.981 ( -0.640 1.661 1.754) 2.500 4.171 ( -7.259 9.520 4.919) 12.943 4.388 ( -5.211 3.450 10.628) 12.330 4.828 ( 8.088 -1.418 0.780) 8.248 5.237 ( -7.703 -3.203 -8.522) 11.926 5.591 ( -3.390 -3.139 6.875) 8.283 5.818 ( -1.242 -1.271 1.344) 2.228 5.877 ( 1.088 -3.787 1.926) 4.386 6.141 ( 7.069 5.463 1.431) 9.048 6.256 ( 5.574 0.745 3.137) 6.440 6.375 ( -1.127 -3.383 2.945) 4.625 6.570 ( 0.709 -7.041 -1.872) 7.320 6.723 ( -9.365 22.244 2.786) 24.295 7.374 ( 5.922 5.314 1.007) 8.020 7.820 ( -0.403 4.314 -0.015) 4.333 7.877 ( -2.614 3.085 0.236) 4.050 8.006 ( -0.992 -3.035 1.104) 3.378 8.380 ( 3.236 2.094 -0.398) 3.875 8.532 ( -0.814 14.964 -1.843) 15.099 8.790 ( 5.269 14.201 1.216) 15.195 8.842 ( -3.185 0.997 2.559) 4.205 9.009 ( -8.076 0.312 5.843) 9.973 9.232 ( 0.169 -7.979 -2.822) 8.465 9.359 ( 2.811 -2.472 3.636) 5.219 10.264 ( -5.307 -6.062 -5.610) 9.818 10.363 ( 8.202 -0.250 3.012) 8.741 10.518 ( -0.251 9.872 5.286) 11.201 11.008 ( -2.258 0.952 -12.254) 12.496 11.051 ( 6.627 -4.156 1.990) 8.071 11.301 ( -2.315 -3.483 -4.635) 6.243 11.351 ( -0.496 -6.776 2.277) 7.165 11.581 ( -4.324 5.839 -6.178) 9.537 11.643 ( -0.228 2.905 -4.113) 5.040 11.707 ( 3.781 8.034 0.355) 8.886 11.877 ( 0.354 11.105 -0.902) 11.147 12.173 ( 2.490 -4.646 3.193) 6.163 12.398 ( 4.536 1.316 -5.416) 7.186 12.576 ( -1.700 -1.054 -9.897) 10.097 12.950 ( 6.491 -4.670 -1.205) 8.087 13.489 ( 5.479 -9.526 -1.094) 11.043 13.695 ( -1.675 -3.628 3.803) 5.517 13.780 ( -0.854 3.144 5.403) 6.309 14.212 ( 0.381 -6.606 -0.613) 6.645 14.561 ( 0.811 -6.115 3.936) 7.318 14.997 ( 2.514 -8.168 -2.947) 9.040 15.194 ( -10.716 -7.359 -0.737) 13.020 15.455 ( 3.407 41.441 -4.770) 41.854 15.810 ( -12.631 16.711 0.118) 20.948 16.533 ( 8.834 10.605 2.278) 13.989 17.664 ( -14.333 0.578 10.706) 17.900 17.742 ( -1.369 2.789 3.432) 4.629 17.822 ( -10.896 6.616 6.581) 14.346 17.876 ( 2.148 12.927 -0.965) 13.140 18.717 ( 12.169 -3.656 -4.202) 13.383 18.762 ( 10.148 -0.909 -6.658) 12.171 19.999 ( 7.227 3.947 15.701) 17.729 20.644 ( 1.135 -2.616 -0.191) 2.858 21.057 ( 0.000 -9.849 -1.019) 9.902 23.208 ( 0.890 11.189 3.596) 11.786 24.683 ( -5.786 6.681 -13.132) 15.829 25.433 ( 1.603 -5.643 0.270) 5.872 25.802 ( -3.957 -3.574 -1.798) 5.627 27.898 ( 2.349 -1.317 3.845) 4.694 28.407 ( 1.345 -0.770 0.378) 1.596 ======================= Grid point 164 (82/128) ======================= q-point: (-0.30 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -22.654 8.031 -12.602) 27.139 1.661 ( -4.009 21.437 -11.237) 24.533 1.821 ( -1.180 5.681 -15.323) 16.385 1.838 ( -1.428 38.027 -7.951) 38.876 1.984 ( 0.757 22.846 -7.947) 24.200 2.501 ( -1.005 22.930 -0.296) 22.954 2.579 ( -3.070 -0.234 13.649) 13.992 2.715 ( 12.820 -7.716 -4.568) 15.645 2.812 ( 9.472 0.088 -3.110) 9.970 2.946 ( -1.784 3.847 5.004) 6.559 2.979 ( 3.001 6.153 -2.559) 7.309 3.396 ( -9.922 12.775 9.020) 18.521 3.671 ( 0.855 2.471 -0.254) 2.627 3.771 ( -7.510 1.287 -20.016) 21.418 3.941 ( 1.188 2.164 1.290) 2.785 4.130 ( 2.197 10.773 4.784) 11.991 4.357 ( 0.644 2.185 9.273) 9.548 4.899 ( -3.303 0.183 1.372) 3.581 5.092 ( -3.332 -5.226 -10.952) 12.584 5.511 ( -5.710 -1.054 5.536) 8.023 5.759 ( -3.466 -2.722 -1.162) 4.558 5.929 ( 1.089 3.606 -0.361) 3.784 6.214 ( -1.192 5.948 -2.976) 6.757 6.299 ( -2.370 -7.463 1.141) 7.912 6.426 ( 3.420 2.793 7.933) 9.079 6.494 ( 1.000 10.722 3.055) 11.194 6.683 ( 1.411 -7.543 3.375) 8.383 7.453 ( 2.299 0.804 0.957) 2.617 7.692 ( -8.426 3.694 -2.631) 9.569 7.948 ( 1.693 -3.360 -0.111) 3.764 8.023 ( 4.773 4.345 4.047) 7.619 8.348 ( -4.622 14.041 1.628) 14.872 8.514 ( -0.027 -0.299 -4.035) 4.046 8.761 ( -1.593 12.066 1.473) 12.259 8.894 ( -0.919 1.836 11.457) 11.640 9.035 ( 11.811 8.662 -2.214) 14.813 9.199 ( -2.023 -9.090 -2.971) 9.775 9.432 ( 3.722 -1.888 3.676) 5.562 10.155 ( -5.413 -6.066 -6.014) 10.112 10.442 ( 0.272 8.859 10.728) 13.916 10.573 ( 4.193 5.348 -0.524) 6.816 10.945 ( -2.395 -0.107 -15.675) 15.857 11.088 ( -3.505 -5.838 1.797) 7.042 11.232 ( -5.448 -0.912 -4.994) 7.447 11.396 ( 3.453 -8.637 3.428) 9.913 11.506 ( 0.590 5.949 -0.808) 6.032 11.603 ( -1.024 -0.773 -0.318) 1.322 11.801 ( 3.291 7.189 -4.510) 9.102 11.934 ( 4.190 11.343 -3.470) 12.580 12.246 ( 4.433 -5.948 2.050) 7.697 12.407 ( -3.812 -3.436 -6.189) 8.040 12.607 ( 7.233 3.894 -7.288) 10.982 13.106 ( 9.120 -6.564 1.796) 11.379 13.585 ( -1.052 -4.751 3.953) 6.269 13.644 ( -1.567 -3.486 -1.061) 3.967 13.796 ( 4.291 0.098 4.330) 6.097 14.214 ( 0.031 -7.934 -0.286) 7.939 14.553 ( -2.133 -6.335 4.517) 8.068 14.933 ( -12.663 -9.233 1.602) 15.753 15.036 ( -0.628 0.351 -4.775) 4.829 15.511 ( -0.587 28.908 -6.309) 29.595 15.627 ( -2.169 21.154 -1.510) 21.318 16.667 ( 5.014 13.853 3.455) 15.133 17.384 ( -13.444 -2.820 0.998) 13.773 17.585 ( -6.703 7.063 5.386) 11.128 17.797 ( -0.963 5.564 4.780) 7.399 17.979 ( 8.131 11.385 -2.632) 14.236 18.815 ( 2.853 -1.511 -6.226) 7.014 19.038 ( 14.041 -5.273 -0.792) 15.019 20.213 ( 12.359 3.589 15.515) 20.157 20.658 ( -0.502 -2.745 0.655) 2.867 21.069 ( 1.856 -8.979 -0.727) 9.198 23.237 ( -0.676 14.404 0.266) 14.423 24.503 ( -8.593 7.742 -10.064) 15.332 25.443 ( -0.733 -5.154 -4.365) 6.794 25.718 ( -3.761 -4.115 0.561) 5.603 27.987 ( 5.179 -1.853 8.210) 9.882 28.443 ( 2.064 -1.056 1.449) 2.734 ======================= Grid point 165 (83/128) ======================= q-point: (-0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -6.185 10.774 9.588) 15.692 1.535 ( -7.551 34.383 3.483) 35.374 1.810 ( 0.899 6.666 -11.705) 13.500 1.849 ( 2.028 34.925 -9.966) 36.375 2.097 ( 10.410 11.796 -15.290) 21.939 2.365 ( -12.268 1.865 15.638) 19.963 2.483 ( -2.898 18.786 3.842) 19.393 2.775 ( -6.159 3.104 -0.780) 6.941 2.875 ( -4.671 -0.115 0.408) 4.690 3.007 ( -5.208 3.623 0.852) 6.401 3.109 ( 11.131 -4.395 -1.923) 12.121 3.227 ( 3.983 13.426 6.028) 15.246 3.688 ( 1.962 3.449 -8.950) 9.790 3.757 ( 7.108 4.786 -9.248) 12.608 3.980 ( 1.278 1.394 -4.486) 4.868 4.166 ( 0.916 9.409 1.771) 9.618 4.437 ( 6.516 1.473 4.234) 7.910 4.784 ( -4.914 1.678 -6.309) 8.171 5.047 ( -3.027 -2.428 -2.511) 4.622 5.366 ( -9.925 -1.248 5.431) 11.382 5.658 ( -8.173 8.123 -5.989) 12.987 5.869 ( -5.100 6.830 -3.737) 9.307 6.109 ( -8.310 -0.012 -0.019) 8.310 6.283 ( 1.694 -9.242 1.407) 9.501 6.443 ( 0.734 1.768 7.770) 8.002 6.663 ( 8.589 -3.242 5.273) 10.587 6.705 ( 1.181 -7.255 4.467) 8.601 7.459 ( -4.816 -7.904 1.026) 9.312 7.545 ( -2.917 8.494 -2.600) 9.350 7.882 ( -4.471 -2.568 1.034) 5.258 8.166 ( 6.047 13.906 2.278) 15.334 8.370 ( 7.901 5.578 2.343) 9.951 8.497 ( -1.145 -6.416 -4.822) 8.108 8.740 ( 0.051 14.798 3.779) 15.273 8.904 ( -2.300 -5.107 7.763) 9.573 9.228 ( 7.260 -2.004 0.634) 7.558 9.249 ( 8.742 5.877 -1.231) 10.605 9.513 ( 5.127 1.800 2.068) 5.814 10.026 ( -8.285 -4.781 -3.535) 10.198 10.446 ( -0.145 11.007 11.685) 16.053 10.634 ( 2.085 7.660 -1.071) 8.010 10.889 ( -3.729 -2.154 -6.987) 8.207 10.976 ( -4.496 -6.865 -2.457) 8.566 11.124 ( -3.612 -0.698 -5.094) 6.284 11.434 ( -1.887 -8.440 3.869) 9.475 11.576 ( 3.366 3.338 -0.477) 4.765 11.610 ( 3.690 -0.366 -3.183) 4.886 11.811 ( -1.753 4.883 -6.382) 8.224 12.018 ( 4.628 9.658 -3.116) 11.153 12.254 ( -5.374 0.277 -3.902) 6.647 12.392 ( 5.183 -6.253 0.303) 8.128 12.779 ( 9.373 0.366 -4.049) 10.217 13.271 ( 4.788 -6.551 4.519) 9.288 13.476 ( -6.305 0.207 5.587) 8.427 13.577 ( -5.178 -0.781 -2.027) 5.615 13.970 ( 10.731 -6.787 2.316) 12.907 14.220 ( 0.730 -9.717 0.230) 9.747 14.488 ( -4.789 -5.957 7.699) 10.849 14.706 ( -10.045 -4.825 2.420) 11.403 15.005 ( -2.404 2.086 -7.898) 8.515 15.375 ( -8.382 14.937 0.357) 17.132 15.764 ( 11.452 25.043 -7.815) 28.625 16.745 ( 1.921 22.806 2.497) 23.023 17.239 ( 2.017 -8.503 -7.530) 11.535 17.527 ( 0.760 7.527 -0.374) 7.574 17.766 ( -2.495 4.974 5.972) 8.163 18.146 ( 8.630 9.514 -2.560) 13.097 18.841 ( 0.298 -1.584 -2.827) 3.254 19.280 ( 10.846 -5.918 -1.608) 12.460 20.437 ( 6.979 0.912 11.256) 13.275 20.612 ( -3.907 -2.899 0.325) 4.876 21.136 ( 4.728 -7.906 0.868) 9.253 22.933 ( -35.034 26.290 -32.675) 54.647 24.616 ( 26.501 4.874 26.152) 37.550 25.387 ( -4.065 -5.564 -9.425) 11.675 25.685 ( 0.249 -3.336 3.852) 5.102 28.065 ( 0.875 -2.589 9.280) 9.674 28.481 ( 1.585 -1.579 2.369) 3.258 ======================= Grid point 166 (84/128) ======================= q-point: (-0.10 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 14.866 7.542 23.870) 29.114 1.417 ( -4.866 34.632 9.999) 36.373 1.786 ( -2.613 30.873 -8.355) 32.090 1.908 ( 3.142 6.068 -8.221) 10.690 2.098 ( -10.060 21.637 18.458) 30.168 2.193 ( -5.571 -1.433 15.528) 16.559 2.532 ( 5.751 20.667 -3.798) 21.786 2.625 ( -1.949 10.388 -11.554) 15.659 2.769 ( -4.090 0.197 -0.788) 4.170 2.975 ( 1.199 -0.189 -7.997) 8.089 3.227 ( 2.951 -3.354 -4.901) 6.631 3.388 ( 8.723 12.314 0.589) 15.103 3.757 ( 3.364 3.882 0.074) 5.137 3.880 ( 2.855 -1.575 -10.351) 10.852 4.027 ( 6.386 3.520 -13.692) 15.513 4.204 ( 3.921 4.797 4.119) 7.439 4.570 ( 5.640 5.024 -0.968) 7.615 4.716 ( -2.184 6.268 -7.705) 10.169 4.978 ( -2.553 -1.230 0.966) 2.994 5.127 ( -15.437 -1.037 4.240) 16.042 5.470 ( -7.571 17.362 -5.402) 19.696 5.763 ( -6.703 -0.825 -1.478) 6.913 5.940 ( -7.131 -3.176 -2.770) 8.284 6.331 ( 1.775 -11.192 4.356) 12.141 6.458 ( 0.261 -1.839 9.130) 9.317 6.679 ( -2.119 -9.922 3.400) 10.700 6.839 ( 7.135 -0.098 4.419) 8.394 7.292 ( -9.314 -0.393 0.527) 9.337 7.574 ( 3.489 -3.694 -2.655) 5.733 7.856 ( 1.275 -1.851 -2.314) 3.226 8.245 ( 2.277 10.477 1.833) 10.877 8.480 ( 0.822 -5.789 -2.847) 6.504 8.583 ( 10.047 3.113 -0.189) 10.520 8.730 ( -2.864 4.352 -3.038) 6.031 8.873 ( 1.712 5.479 8.874) 10.568 9.339 ( 2.713 0.006 2.461) 3.663 9.435 ( 8.914 0.433 2.715) 9.328 9.641 ( 6.670 3.059 -2.302) 7.691 9.845 ( -6.824 -2.639 6.954) 10.094 10.469 ( 1.500 10.606 12.875) 16.749 10.632 ( -2.431 0.131 -3.507) 4.269 10.830 ( 0.576 -1.174 -2.832) 3.119 10.961 ( 1.190 -5.352 -4.221) 6.919 11.076 ( -1.099 0.638 -2.279) 2.610 11.335 ( -5.628 -0.762 -0.941) 5.757 11.614 ( -7.501 5.157 -4.899) 10.337 11.673 ( 3.463 -2.713 -2.694) 5.159 11.766 ( 3.537 2.094 -0.833) 4.194 12.107 ( 4.067 10.149 -1.091) 10.988 12.147 ( -4.321 0.939 -2.220) 4.948 12.507 ( 6.019 -6.530 -0.764) 8.914 12.894 ( -0.182 -6.743 -0.167) 6.748 13.229 ( -3.444 3.959 -1.755) 5.533 13.307 ( -12.104 5.910 8.171) 15.754 13.624 ( 7.739 -11.489 -0.294) 13.855 14.138 ( 4.677 -10.266 5.455) 12.531 14.253 ( 3.160 -8.099 -1.794) 8.877 14.399 ( -5.082 -5.454 10.730) 13.066 14.548 ( -5.872 -2.688 3.021) 7.130 14.932 ( -4.053 3.370 -8.795) 10.253 15.252 ( -3.939 12.621 0.368) 13.227 15.958 ( 7.416 19.623 -6.369) 21.923 16.734 ( -1.339 19.944 -2.108) 20.100 17.407 ( 7.722 -6.916 -5.293) 11.640 17.664 ( 3.496 -2.697 -4.545) 6.336 17.775 ( 17.856 9.994 1.415) 20.511 18.290 ( 6.130 9.889 -3.956) 12.289 18.823 ( -2.039 -1.699 0.847) 2.786 19.459 ( 8.129 -4.872 -2.135) 9.715 20.360 ( -21.119 -1.313 1.866) 21.242 20.529 ( -4.170 -2.678 0.289) 4.964 21.230 ( 4.001 -7.154 1.870) 8.407 21.949 ( -51.549 52.131 -36.360) 81.835 25.247 ( -1.074 -9.781 -6.554) 11.822 25.581 ( 50.259 -5.137 27.302) 57.426 25.734 ( 10.225 -0.770 7.952) 12.976 28.000 ( -8.625 -2.272 5.207) 10.328 28.509 ( 1.060 -2.175 2.802) 3.702 ======================= Grid point 167 (85/128) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -2.307 11.318 12.943) 17.348 1.714 ( 3.445 8.934 22.543) 24.493 1.839 ( 1.018 -2.937 -9.343) 9.847 2.115 ( 4.277 -3.518 17.418) 18.277 2.333 ( 2.993 21.263 -5.284) 22.113 2.650 ( -4.489 5.570 -17.704) 19.095 2.727 ( -0.527 -1.862 -1.888) 2.704 2.829 ( 2.344 14.097 4.983) 15.135 2.982 ( 4.019 9.365 -3.608) 10.811 3.195 ( 0.911 36.903 1.358) 36.939 3.305 ( 5.998 3.188 -9.384) 11.585 3.850 ( -1.035 4.477 -8.300) 9.487 3.895 ( 1.148 9.311 -4.827) 10.550 4.039 ( 0.659 32.993 -2.735) 33.112 4.189 ( 5.550 3.078 -11.909) 13.495 4.345 ( 1.126 3.479 -0.008) 3.657 4.745 ( -4.712 2.346 1.441) 5.457 4.793 ( 0.883 2.587 -3.047) 4.093 4.870 ( -4.926 0.979 4.325) 6.628 4.931 ( 1.014 0.467 -3.083) 3.279 5.509 ( 0.571 -12.017 -1.479) 12.121 5.716 ( -3.842 5.169 -0.853) 6.496 5.761 ( -3.616 2.920 -4.741) 6.639 6.152 ( 1.224 -10.328 3.620) 11.012 6.426 ( -1.902 2.306 10.828) 11.233 6.576 ( -1.655 -0.048 4.285) 4.594 6.971 ( 7.681 -6.516 3.048) 10.523 7.043 ( -8.911 0.198 2.657) 9.300 7.512 ( 2.562 -4.024 -5.356) 7.173 7.855 ( -0.865 -5.038 0.718) 5.162 8.171 ( -0.143 -6.319 0.272) 6.327 8.292 ( 0.958 -12.574 -4.154) 13.277 8.775 ( 1.202 3.803 1.684) 4.329 8.818 ( 1.759 3.698 0.138) 4.098 9.098 ( -2.793 14.763 8.399) 17.213 9.403 ( 0.985 -6.876 0.911) 7.006 9.426 ( -1.995 -5.174 3.110) 6.358 9.733 ( -5.117 10.055 -6.965) 13.259 9.826 ( 16.244 -9.459 13.666) 23.240 10.349 ( -6.587 -10.636 -7.214) 14.442 10.633 ( -2.464 2.832 1.527) 4.053 10.874 ( 2.655 -1.251 4.132) 5.068 10.966 ( 2.292 -1.723 -2.218) 3.625 11.191 ( 2.913 8.642 -2.823) 9.546 11.358 ( 2.447 1.178 -2.135) 3.455 11.538 ( -8.451 4.398 -6.886) 11.755 11.684 ( -0.382 4.427 -1.951) 4.853 11.923 ( 2.044 2.943 0.443) 3.610 12.183 ( 1.555 7.940 4.919) 9.469 12.334 ( 0.532 8.272 -0.553) 8.308 12.498 ( 7.643 -6.399 -1.412) 10.068 12.616 ( -9.234 -4.448 -5.448) 11.608 13.250 ( -8.268 7.582 9.651) 14.798 13.289 ( -0.505 -5.913 5.938) 8.395 13.440 ( -1.389 -8.387 -0.058) 8.501 13.873 ( -0.231 -12.715 5.351) 13.797 14.092 ( -5.368 -8.655 3.250) 10.690 14.219 ( 3.400 -8.246 1.482) 9.042 14.554 ( 3.586 -0.089 1.595) 3.926 14.757 ( -3.380 -6.042 -2.228) 7.273 15.566 ( -0.247 21.215 -0.594) 21.225 16.506 ( 3.662 6.126 -5.054) 8.745 17.120 ( 1.240 33.884 -3.796) 34.118 17.380 ( -5.469 4.307 -0.333) 6.969 17.585 ( 0.923 -0.732 -2.796) 3.034 18.337 ( 7.559 11.745 0.647) 13.982 18.627 ( 0.163 11.720 -8.696) 14.595 18.700 ( -4.163 -5.749 3.585) 7.952 19.597 ( 2.044 4.309 1.545) 5.013 19.969 ( -8.733 6.898 0.398) 11.136 20.402 ( -0.825 -4.580 1.352) 4.847 21.078 ( 0.717 -13.791 3.519) 14.251 22.519 ( -13.513 60.906 -25.566) 67.422 24.868 ( -4.923 -20.743 -10.185) 23.627 25.756 ( 3.808 0.531 2.628) 4.657 26.246 ( 22.721 -21.470 11.337) 33.253 27.880 ( -0.896 5.080 1.064) 5.267 28.437 ( 0.616 -7.252 2.485) 7.691 ======================= Grid point 168 (86/128) ======================= q-point: ( 0.10 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -5.035 15.304 9.287) 18.596 1.776 ( -0.993 -2.048 -4.411) 4.963 1.952 ( 10.008 12.015 7.946) 17.540 2.247 ( 5.154 0.953 2.520) 5.816 2.395 ( -0.186 4.036 -6.671) 7.799 2.545 ( -0.251 14.503 -7.233) 16.208 2.704 ( -0.962 -4.820 0.004) 4.915 2.914 ( 4.722 8.301 0.049) 9.550 3.071 ( 5.847 15.211 9.308) 18.767 3.195 ( -0.843 35.174 -0.742) 35.192 3.379 ( 1.927 3.906 -11.625) 12.414 3.744 ( -12.025 8.394 -3.375) 15.049 3.820 ( -4.488 13.826 -14.007) 20.186 4.122 ( 7.769 23.398 -11.399) 27.162 4.241 ( 1.326 5.670 -12.867) 14.123 4.368 ( 1.149 3.017 0.716) 3.307 4.548 ( -9.628 4.756 3.377) 11.257 4.748 ( -1.487 1.561 4.038) 4.578 4.874 ( -1.637 -2.640 2.051) 3.722 5.082 ( 12.993 3.043 -1.000) 13.382 5.558 ( 3.478 -7.968 -1.209) 8.778 5.714 ( 4.123 5.321 0.268) 6.737 5.794 ( 5.701 -3.271 0.429) 6.587 6.157 ( -1.362 -11.613 2.107) 11.881 6.381 ( -4.320 1.767 12.557) 13.397 6.539 ( -1.945 1.344 4.329) 4.932 6.885 ( -5.167 -0.451 1.372) 5.365 7.174 ( 10.653 -4.377 3.726) 12.105 7.581 ( 4.894 -4.644 -5.776) 8.882 7.830 ( -1.158 -4.203 1.173) 4.515 8.197 ( 2.666 -2.505 -0.230) 3.665 8.330 ( 3.064 -10.510 -2.858) 11.314 8.744 ( -6.677 4.620 3.641) 8.898 8.762 ( -4.733 4.166 2.407) 6.749 9.013 ( -4.171 5.916 3.909) 8.227 9.367 ( -3.992 -4.288 3.417) 6.782 9.433 ( 1.993 0.444 4.365) 4.819 9.654 ( -3.826 10.435 -6.657) 12.956 10.204 ( 11.490 -8.439 4.815) 15.047 10.237 ( 1.470 -12.645 -4.234) 13.416 10.606 ( -0.465 0.201 0.987) 1.109 10.844 ( -6.243 0.882 0.219) 6.309 11.009 ( 5.030 -2.077 -0.312) 5.451 11.266 ( -1.906 5.698 -9.794) 11.490 11.336 ( 3.480 11.881 -0.489) 12.390 11.490 ( 1.816 -4.894 1.199) 5.356 11.650 ( -2.215 6.081 -2.172) 6.827 11.898 ( -2.583 6.780 -2.707) 7.744 12.213 ( -2.338 9.128 2.940) 9.871 12.311 ( -0.903 11.175 0.975) 11.254 12.451 ( -6.349 -4.903 -6.372) 10.245 12.673 ( 7.668 -6.886 0.842) 10.340 13.153 ( -0.888 5.171 7.278) 8.972 13.262 ( -3.092 -13.125 9.453) 16.468 13.396 ( -2.295 -7.032 1.623) 7.573 13.863 ( -1.597 -12.487 7.009) 14.408 13.994 ( -4.433 -5.688 1.421) 7.350 14.271 ( 1.497 -8.012 2.672) 8.577 14.600 ( -0.408 -2.781 0.383) 2.837 14.735 ( 2.739 -4.779 -2.049) 5.877 15.602 ( 4.193 20.565 -0.526) 20.995 16.586 ( 4.960 8.736 -8.000) 12.842 17.048 ( -12.860 29.874 4.812) 32.879 17.275 ( 1.533 19.692 -1.698) 19.825 17.666 ( 7.323 -0.743 -9.090) 11.696 18.367 ( -4.134 8.780 1.738) 9.859 18.516 ( -7.912 18.278 -10.669) 22.595 18.619 ( -4.306 -2.623 7.006) 8.631 19.336 ( -15.319 3.540 2.511) 15.922 20.183 ( 14.266 -0.001 5.920) 15.446 20.418 ( 1.746 -4.164 2.247) 5.044 21.065 ( -2.147 -12.926 2.420) 13.325 22.483 ( 10.483 53.293 -9.839) 55.199 24.813 ( 0.149 -21.656 -5.184) 22.269 25.784 ( -1.152 0.917 -1.257) 1.936 26.252 ( -18.210 -16.290 -8.346) 25.819 28.021 ( 11.515 -1.641 2.636) 11.926 28.452 ( 0.655 -6.813 1.905) 7.105 ======================= Grid point 169 (87/128) ======================= q-point: ( 0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 9.304 15.676 -5.998) 19.191 1.741 ( -1.986 -1.635 -10.613) 10.920 2.038 ( -4.369 10.771 -9.689) 15.132 2.278 ( 5.197 8.681 -2.031) 10.320 2.437 ( 5.278 3.247 1.490) 6.373 2.519 ( -4.581 4.892 -1.502) 6.868 2.779 ( 6.008 -0.366 4.901) 7.762 2.944 ( -0.934 7.535 -3.095) 8.200 3.132 ( -4.854 19.530 -1.674) 20.194 3.253 ( 6.982 10.710 12.482) 17.867 3.367 ( -0.890 11.757 -8.927) 14.788 3.459 ( -14.119 16.812 -5.867) 22.724 3.741 ( -0.013 20.719 -13.119) 24.523 4.159 ( -3.108 17.966 -8.055) 19.933 4.265 ( -1.999 7.401 -6.098) 9.795 4.395 ( 4.047 3.894 -6.641) 8.697 4.500 ( 2.990 0.004 3.286) 4.443 4.750 ( 0.584 1.682 5.627) 5.902 4.858 ( 2.660 -2.094 -1.165) 3.580 5.345 ( 12.842 -0.900 0.080) 12.873 5.621 ( 2.989 -2.861 0.754) 4.206 5.840 ( 7.398 -0.459 2.078) 7.698 5.913 ( 4.062 -1.999 3.005) 5.434 6.097 ( -3.606 -16.303 0.370) 16.701 6.283 ( -6.564 4.905 13.854) 16.096 6.523 ( -0.523 0.839 4.726) 4.828 6.848 ( 1.539 5.578 -0.230) 5.791 7.373 ( 8.968 -4.651 2.450) 10.395 7.694 ( 7.372 -1.926 -4.557) 8.878 7.830 ( 1.004 -2.396 2.035) 3.300 8.270 ( 4.443 0.317 1.056) 4.578 8.393 ( 3.079 -5.333 -1.684) 6.384 8.561 ( -11.730 1.959 -1.759) 12.022 8.667 ( -2.959 4.853 11.871) 13.161 9.000 ( 1.487 -1.219 -1.466) 2.418 9.276 ( -6.304 -0.895 2.877) 6.987 9.436 ( -2.010 8.870 2.563) 9.449 9.551 ( -4.880 8.518 -3.450) 10.406 10.158 ( -2.798 -5.424 -10.616) 12.246 10.393 ( 0.284 -8.539 8.048) 11.737 10.610 ( -0.413 -1.058 -0.216) 1.157 10.770 ( 0.556 -0.836 1.175) 1.546 11.147 ( 8.821 3.434 0.330) 9.472 11.213 ( -0.879 2.232 -7.271) 7.657 11.396 ( 0.501 5.342 -3.008) 6.151 11.518 ( -0.512 -5.808 1.827) 6.110 11.641 ( 2.206 9.318 -0.790) 9.608 11.898 ( 3.876 12.983 -5.930) 14.790 12.105 ( -5.747 5.962 -1.776) 8.469 12.298 ( -3.021 6.583 1.601) 7.418 12.365 ( -1.469 0.737 -2.183) 2.733 12.694 ( -4.780 1.456 0.071) 4.997 13.143 ( -6.192 -14.080 1.735) 15.479 13.278 ( 6.491 -6.718 5.700) 10.943 13.393 ( 2.130 -5.179 6.799) 8.809 13.813 ( -3.499 -12.315 4.428) 13.547 13.939 ( -1.199 -3.765 1.972) 4.416 14.283 ( -0.516 -8.939 5.657) 10.591 14.611 ( 3.009 -2.925 -0.162) 4.199 14.805 ( 3.803 -6.774 -3.380) 8.472 15.724 ( 7.988 18.381 -0.789) 20.057 16.669 ( 3.873 22.982 -10.066) 25.387 16.803 ( -9.308 25.173 6.244) 27.556 17.373 ( 7.063 21.823 1.171) 22.968 17.837 ( 10.428 0.293 -10.402) 14.732 18.237 ( -7.521 9.172 2.727) 12.170 18.394 ( -3.751 16.153 -7.128) 18.049 18.538 ( -5.110 1.534 7.334) 9.070 19.076 ( -12.906 -0.325 4.066) 13.535 20.336 ( 0.271 -0.246 8.752) 8.760 20.454 ( 2.344 -7.428 1.885) 8.014 20.997 ( -5.070 -12.235 0.297) 13.247 22.827 ( 22.365 39.502 1.731) 45.426 24.864 ( 5.094 -19.822 -0.116) 20.467 25.633 ( -19.957 -1.192 -12.464) 23.560 25.853 ( -10.851 -3.153 -8.258) 13.995 28.175 ( 2.825 -5.187 1.764) 6.164 28.458 ( -0.358 -5.864 1.017) 5.963 ======================= Grid point 170 (88/128) ======================= q-point: ( 0.30 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 16.642 9.481 -18.953) 26.946 1.682 ( -1.532 2.045 -14.745) 14.965 1.945 ( -0.517 9.177 -11.412) 14.653 2.371 ( -4.860 -4.322 -2.156) 6.852 2.439 ( 6.584 15.141 2.206) 16.658 2.575 ( 5.216 10.660 -0.205) 11.870 2.767 ( -8.627 0.466 -0.600) 8.660 2.874 ( -7.900 0.363 -3.295) 8.568 3.045 ( 1.090 8.815 0.057) 8.883 3.169 ( -8.254 11.630 0.153) 14.262 3.261 ( -6.650 30.756 -3.976) 31.717 3.531 ( 11.174 13.238 5.727) 18.245 3.794 ( 4.438 18.138 -10.819) 21.581 4.077 ( -4.257 13.418 -5.447) 15.095 4.195 ( -3.711 8.577 0.040) 9.346 4.420 ( 0.275 5.518 -5.484) 7.785 4.569 ( 2.699 -1.201 0.804) 3.062 4.746 ( -1.328 2.167 6.539) 7.016 5.011 ( 10.281 -6.511 -5.349) 13.293 5.551 ( 7.891 -3.938 0.151) 8.821 5.681 ( 3.475 -0.420 2.724) 4.435 5.877 ( -5.730 -3.686 1.635) 7.006 5.970 ( 5.013 -2.676 4.120) 7.020 6.086 ( -0.577 -8.642 5.780) 10.413 6.188 ( -1.744 1.887 6.860) 7.325 6.498 ( -2.829 -2.008 4.936) 6.033 6.949 ( 8.517 11.065 -0.697) 13.981 7.514 ( 5.155 -1.095 1.272) 5.422 7.824 ( 3.164 -3.827 -0.240) 4.971 7.885 ( 6.469 4.444 0.151) 7.850 8.272 ( -8.717 2.678 1.222) 9.201 8.379 ( -0.797 4.518 -0.111) 4.589 8.481 ( 4.733 -1.946 0.422) 5.135 8.669 ( 1.404 -3.756 8.224) 9.149 9.028 ( 0.354 -1.066 -2.205) 2.475 9.150 ( -4.327 7.494 0.048) 8.654 9.379 ( -3.758 10.334 3.102) 11.425 9.503 ( -0.371 5.622 -1.758) 5.903 10.048 ( -6.441 -3.817 -8.476) 11.309 10.378 ( -1.657 -8.688 5.242) 10.281 10.616 ( 2.368 1.296 -1.420) 3.051 10.779 ( -1.230 0.258 5.006) 5.162 11.190 ( -1.632 -1.680 -2.396) 3.351 11.294 ( 3.759 4.912 0.023) 6.186 11.408 ( 2.793 1.864 -5.921) 6.807 11.497 ( -0.063 -0.074 -4.897) 4.898 11.682 ( 1.026 10.374 2.213) 10.657 11.974 ( -0.297 13.521 -0.765) 13.546 12.077 ( 6.220 7.925 -9.675) 13.968 12.232 ( -2.066 -6.424 -3.532) 7.616 12.348 ( -1.606 7.570 4.420) 8.912 12.567 ( -6.451 4.920 -2.616) 8.525 12.995 ( -8.193 -9.937 -1.192) 12.935 13.320 ( -2.456 -15.789 4.529) 16.609 13.492 ( 5.309 -3.326 5.231) 8.161 13.774 ( -0.555 -7.332 3.229) 8.031 13.950 ( 2.165 -4.932 1.556) 5.607 14.281 ( 0.359 -9.154 6.943) 11.495 14.692 ( 3.890 -5.554 -1.427) 6.929 14.895 ( 6.277 -8.303 -3.098) 10.860 15.891 ( 9.105 17.747 -0.878) 19.965 16.711 ( 1.590 64.630 -3.917) 64.768 16.716 ( -1.666 -6.026 0.012) 6.252 17.544 ( 10.467 13.546 3.138) 17.404 17.968 ( -1.084 7.257 3.214) 8.010 18.164 ( 4.027 2.513 -7.764) 9.100 18.353 ( -0.424 10.718 -3.738) 11.359 18.428 ( -6.351 4.742 5.571) 9.688 18.824 ( -13.525 2.807 5.608) 14.908 20.246 ( -8.233 4.065 9.354) 13.107 20.521 ( 3.598 -12.381 0.875) 12.923 20.875 ( -6.861 -12.696 -1.329) 14.492 23.246 ( 18.174 28.743 6.772) 34.674 24.988 ( 6.727 -17.233 3.363) 18.802 25.182 ( -19.048 7.366 -17.107) 26.641 25.761 ( -1.767 -5.755 -4.855) 7.734 28.144 ( -5.122 -3.157 0.243) 6.021 28.434 ( -2.149 -5.249 0.072) 5.673 ======================= Grid point 171 (89/128) ======================= q-point: ( 0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 5.616 4.111 -16.686) 18.079 1.765 ( 7.875 3.806 -23.249) 24.840 2.031 ( 8.233 7.507 -5.745) 12.536 2.308 ( 0.305 -0.028 -6.287) 6.294 2.470 ( -12.245 5.299 -1.880) 13.474 2.523 ( -3.981 11.785 -5.551) 13.621 2.610 ( 0.486 7.098 -1.926) 7.371 2.872 ( 4.131 7.730 -0.019) 8.764 2.980 ( -8.752 4.857 -2.323) 10.276 3.057 ( -1.446 1.877 9.730) 10.015 3.200 ( -0.327 41.429 -1.904) 41.474 3.721 ( 7.624 9.690 2.487) 12.578 3.829 ( -1.522 22.347 -3.491) 22.669 3.976 ( -4.022 4.845 -4.532) 7.758 4.158 ( -0.780 8.432 -4.296) 9.495 4.445 ( 2.794 9.893 0.579) 10.296 4.599 ( 0.501 -0.701 0.207) 0.887 4.702 ( -4.095 1.575 3.622) 5.690 5.156 ( 4.685 -11.178 -2.992) 12.484 5.630 ( -0.220 -5.625 3.676) 6.723 5.751 ( 1.040 -2.016 4.847) 5.352 5.801 ( 0.193 -1.924 0.580) 2.019 6.010 ( 0.615 4.942 5.471) 7.399 6.100 ( 3.180 -5.686 3.642) 7.464 6.227 ( 3.181 -5.163 1.190) 6.180 6.425 ( -4.686 -3.957 3.961) 7.301 7.147 ( 11.031 10.834 0.088) 15.462 7.551 ( -2.033 8.332 0.802) 8.614 7.857 ( 1.772 -2.101 0.720) 2.841 7.993 ( 1.027 2.731 0.553) 2.970 8.100 ( -5.934 2.582 0.818) 6.523 8.382 ( 0.315 9.680 3.879) 10.432 8.585 ( 4.809 -5.905 1.592) 7.780 8.710 ( 2.431 -7.676 1.025) 8.117 8.988 ( -1.815 9.679 -0.827) 9.882 9.159 ( 2.392 2.937 -2.155) 4.358 9.313 ( -2.955 7.641 2.643) 8.608 9.483 ( -2.569 10.005 -1.872) 10.498 9.982 ( 1.762 -4.780 -2.533) 5.689 10.322 ( -4.271 -8.273 0.363) 9.318 10.698 ( 5.184 -0.876 0.598) 5.292 10.744 ( -1.997 3.076 5.741) 6.812 11.141 ( -2.886 -1.149 -0.320) 3.123 11.307 ( -0.773 5.822 1.045) 5.965 11.470 ( 2.238 0.079 -5.050) 5.524 11.529 ( 3.937 1.634 -8.606) 9.603 11.678 ( -0.858 12.410 -0.918) 12.473 11.941 ( -2.104 8.001 -2.072) 8.528 12.133 ( -1.198 3.517 -8.806) 9.558 12.270 ( -1.525 7.972 2.694) 8.552 12.329 ( 6.491 -0.131 -2.123) 6.830 12.485 ( -1.680 5.083 -3.942) 6.648 12.841 ( -6.904 -8.704 -1.796) 11.254 13.245 ( -4.139 -16.043 -1.084) 16.604 13.569 ( 2.161 -5.052 7.736) 9.488 13.776 ( -0.049 -5.820 4.208) 7.182 14.017 ( 4.180 -3.331 -0.383) 5.359 14.319 ( 2.845 -8.324 5.954) 10.622 14.743 ( 1.927 -6.140 -2.698) 6.978 15.009 ( 4.237 -13.164 -3.479) 14.260 16.082 ( 10.462 19.137 -0.623) 21.819 16.643 ( -6.016 2.686 1.090) 6.678 16.758 ( 2.408 64.816 -2.945) 64.927 17.764 ( 9.780 6.043 3.580) 12.041 17.886 ( -2.912 5.725 6.731) 9.304 18.204 ( -6.373 6.825 10.155) 13.796 18.350 ( -1.082 4.969 -2.732) 5.773 18.396 ( 5.890 -2.169 -11.213) 12.850 18.584 ( -9.411 12.864 4.713) 16.621 20.092 ( -7.204 4.821 8.729) 12.302 20.573 ( 1.141 -9.124 -0.041) 9.195 20.762 ( -3.699 -17.468 -1.155) 17.892 23.490 ( 6.238 24.184 4.389) 25.359 24.936 ( -4.784 10.462 -10.978) 15.901 25.112 ( 5.049 -14.300 3.695) 15.609 25.746 ( 0.242 -8.143 -4.036) 9.092 28.017 ( -7.017 -0.392 -0.954) 7.093 28.384 ( -2.609 -5.196 -0.484) 5.834 ======================= Grid point 172 (90/128) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 6.071 4.253 -15.188) 16.900 1.848 ( 3.032 3.608 -27.060) 27.467 2.100 ( -1.156 1.645 -4.606) 5.026 2.172 ( -7.690 0.398 -7.223) 10.558 2.353 ( -4.338 10.584 -5.509) 12.696 2.569 ( 7.342 10.720 -3.083) 13.354 2.633 ( 2.063 12.665 -2.260) 13.029 2.757 ( -4.936 -2.180 -1.490) 5.598 2.950 ( -4.045 1.337 3.561) 5.552 3.099 ( 5.182 24.130 6.839) 25.610 3.205 ( 0.879 25.354 1.131) 25.394 3.741 ( -4.636 15.473 1.088) 16.189 3.824 ( 2.638 19.150 -2.268) 19.463 3.957 ( 1.234 2.009 -1.111) 2.606 4.114 ( -3.342 9.724 -7.447) 12.696 4.479 ( -3.096 10.648 6.383) 12.795 4.556 ( -5.446 0.268 -0.864) 5.520 4.668 ( 4.159 -0.123 2.871) 5.056 5.207 ( 1.006 -10.738 -3.651) 11.386 5.579 ( -4.637 -3.468 7.697) 9.632 5.738 ( -0.004 -4.454 1.757) 4.788 5.830 ( -0.560 -3.201 4.646) 5.670 6.089 ( 6.634 4.459 1.399) 8.115 6.164 ( 2.395 -6.129 1.145) 6.679 6.292 ( 3.478 -2.146 2.305) 4.692 6.348 ( -2.707 -7.201 1.738) 7.887 7.332 ( 4.920 3.939 0.046) 6.303 7.459 ( -4.425 22.385 0.019) 22.818 7.885 ( -2.108 -4.132 2.875) 5.457 7.923 ( -1.495 6.008 0.636) 6.224 8.055 ( -2.248 -1.370 3.286) 4.210 8.390 ( -0.080 8.739 3.448) 9.395 8.645 ( 0.750 -7.325 1.059) 7.440 8.764 ( 2.622 -9.763 -1.367) 10.201 9.015 ( 4.769 13.867 -1.151) 14.709 9.151 ( -2.847 -0.054 -6.060) 6.696 9.278 ( -1.146 5.330 3.264) 6.354 9.416 ( -3.209 18.185 1.491) 18.526 10.108 ( 9.804 -5.252 -0.950) 11.163 10.228 ( -4.728 -7.649 -2.033) 9.219 10.708 ( -1.021 4.853 5.982) 7.770 10.814 ( 5.200 -4.143 -0.135) 6.650 11.096 ( -1.388 1.941 -0.106) 2.389 11.290 ( -1.226 4.514 2.296) 5.211 11.436 ( -4.524 3.250 -3.838) 6.764 11.621 ( 5.523 -0.020 -7.592) 9.389 11.709 ( 3.922 9.581 -5.461) 11.705 11.871 ( -3.791 7.157 -6.197) 10.198 12.109 ( 0.149 1.562 -4.639) 4.897 12.175 ( -7.542 8.013 6.654) 12.859 12.427 ( -0.733 5.160 -2.199) 5.657 12.518 ( 6.647 0.765 -7.370) 9.954 12.762 ( -0.287 -9.069 -2.272) 9.353 13.201 ( 0.579 -13.850 -2.997) 14.182 13.598 ( 0.412 -5.867 8.302) 10.175 13.772 ( -0.820 -6.369 4.248) 7.699 14.092 ( 3.192 -1.139 -1.917) 3.894 14.385 ( 3.058 -7.524 4.275) 9.178 14.773 ( 1.451 -7.387 -3.417) 8.268 15.028 ( -1.807 -14.863 -3.573) 15.393 16.234 ( 1.676 17.382 -1.673) 17.542 16.523 ( -3.620 13.602 2.788) 14.349 16.777 ( -0.213 57.306 -1.139) 57.317 17.800 ( -0.950 3.930 5.699) 6.988 17.945 ( -2.806 3.579 10.693) 11.620 18.073 ( -4.362 8.066 3.388) 9.776 18.229 ( -6.518 4.904 3.387) 8.832 18.485 ( 5.106 10.389 -1.421) 11.663 18.600 ( 7.195 1.500 -8.487) 11.227 20.018 ( -0.601 5.062 8.826) 10.192 20.566 ( -0.785 -5.050 -1.007) 5.209 20.742 ( 0.862 -21.563 -0.304) 21.583 23.539 ( 0.428 24.335 1.656) 24.395 24.911 ( 0.648 11.342 -7.626) 13.682 25.191 ( 2.918 -14.454 3.028) 15.053 25.742 ( -0.996 -8.531 -3.382) 9.230 27.906 ( -3.513 1.504 -0.170) 3.825 28.346 ( -0.963 -5.503 -0.336) 5.596 ======================= Grid point 173 (91/128) ======================= q-point: (-0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -14.941 7.168 -18.759) 25.030 1.820 ( -2.862 1.850 -26.211) 26.431 2.027 ( -4.236 6.910 -11.359) 13.954 2.207 ( 8.966 0.146 -0.828) 9.005 2.387 ( 7.452 9.142 -2.735) 12.107 2.536 ( -3.359 6.536 2.285) 7.696 2.623 ( -1.162 3.648 -5.044) 6.332 2.831 ( -6.566 -1.004 5.241) 8.461 2.917 ( 10.844 9.278 0.055) 14.271 3.170 ( 2.086 33.078 3.893) 33.372 3.201 ( -2.991 17.578 2.919) 18.068 3.708 ( 1.034 8.629 -3.089) 9.224 3.842 ( -0.200 13.350 -6.617) 14.901 3.974 ( -0.612 11.282 1.786) 11.439 4.034 ( -3.544 12.117 -4.694) 13.469 4.330 ( -7.662 4.615 9.812) 13.277 4.488 ( -2.998 6.168 1.206) 6.963 4.797 ( 7.078 -1.294 1.270) 7.307 5.165 ( -5.600 -5.543 -5.039) 9.353 5.491 ( -4.501 -4.952 7.820) 10.293 5.773 ( -0.321 -4.203 1.677) 4.537 5.788 ( 0.343 -5.936 3.377) 6.838 6.167 ( -0.586 -7.526 -0.124) 7.550 6.252 ( 7.720 4.983 0.125) 9.190 6.322 ( 0.229 -10.402 -2.597) 10.724 6.378 ( 4.487 -1.387 6.713) 8.193 7.204 ( -11.937 18.341 -2.097) 21.983 7.500 ( 1.998 10.316 2.369) 10.771 7.804 ( -4.403 -0.793 4.410) 6.282 7.949 ( 0.824 3.942 2.403) 4.690 8.022 ( 0.751 -1.842 1.514) 2.500 8.386 ( -0.353 2.782 2.526) 3.774 8.604 ( -4.922 -4.739 0.318) 6.840 8.794 ( 0.124 -8.243 1.181) 8.328 9.052 ( -2.552 -8.721 -2.636) 9.462 9.126 ( 0.481 4.004 -3.045) 5.053 9.321 ( 7.755 29.256 0.207) 30.267 9.369 ( -1.689 12.900 3.384) 13.442 10.114 ( -5.023 -8.939 -5.440) 11.607 10.340 ( 11.539 -2.712 0.412) 11.861 10.711 ( 0.780 6.748 4.773) 8.303 10.880 ( 0.997 -7.103 -2.854) 7.719 11.085 ( -0.261 2.912 -0.158) 2.928 11.250 ( -2.496 -1.614 0.520) 3.017 11.366 ( -1.717 9.894 -2.724) 10.405 11.657 ( -3.119 -2.612 -6.665) 7.809 11.739 ( 0.842 9.108 -6.861) 11.434 11.895 ( 5.301 9.623 -0.211) 10.989 12.017 ( -6.376 2.757 4.387) 8.215 12.123 ( 1.249 1.554 -4.156) 4.610 12.399 ( -1.325 -1.025 -1.583) 2.305 12.620 ( 4.728 5.341 -8.021) 10.734 12.814 ( 4.678 -9.245 -0.390) 10.369 13.275 ( 7.074 -11.684 -2.372) 13.863 13.602 ( -0.833 -5.450 5.995) 8.144 13.753 ( -1.390 -7.075 4.443) 8.469 14.125 ( 0.222 -0.180 -2.506) 2.522 14.431 ( 1.018 -7.129 2.913) 7.768 14.791 ( 0.399 -9.420 -3.432) 10.034 14.948 ( -5.512 -12.821 -2.997) 14.274 16.105 ( -10.878 15.323 -1.195) 18.830 16.525 ( -0.236 31.261 2.456) 31.358 16.780 ( 1.797 32.028 -0.566) 32.083 17.708 ( -11.600 2.139 14.202) 18.461 17.847 ( -5.447 11.432 -0.054) 12.663 17.954 ( -2.438 7.649 2.922) 8.543 18.244 ( 3.149 20.589 1.695) 20.898 18.637 ( 9.627 -1.865 -1.317) 9.894 18.727 ( 6.560 -1.970 -5.189) 8.593 20.089 ( 6.752 3.870 9.194) 12.045 20.567 ( 0.770 -5.483 0.120) 5.538 20.767 ( 1.680 -19.578 -0.973) 19.674 23.567 ( 3.140 26.195 3.053) 26.559 24.873 ( -4.735 12.414 -10.854) 17.156 25.240 ( 2.078 -14.840 1.365) 15.047 25.687 ( -4.386 -8.558 -3.372) 10.190 27.895 ( 2.072 1.859 3.015) 4.104 28.349 ( 1.129 -5.757 0.555) 5.893 ======================= Grid point 174 (92/128) ======================= q-point: (-0.30 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -18.422 11.940 -12.895) 25.460 1.752 ( -1.807 -1.716 -21.076) 21.223 1.987 ( 3.144 9.767 -17.804) 20.549 2.254 ( -5.603 13.512 5.192) 15.521 2.514 ( -3.976 -1.716 3.227) 5.400 2.574 ( 1.183 -3.627 4.167) 5.650 2.593 ( 8.884 7.267 -3.704) 12.060 2.807 ( 6.654 0.592 -2.160) 7.020 3.011 ( -4.089 12.534 1.881) 13.317 3.122 ( -0.613 14.485 4.495) 15.179 3.233 ( 1.975 32.894 0.758) 32.962 3.682 ( -6.061 8.007 2.113) 10.262 3.769 ( -3.244 1.828 -20.430) 20.766 3.971 ( 1.453 23.517 5.500) 24.195 4.010 ( 1.364 13.948 0.576) 14.027 4.311 ( 4.083 6.051 7.686) 10.600 4.432 ( -2.652 5.153 0.599) 5.826 4.897 ( 1.033 -0.883 1.154) 1.783 5.018 ( -5.767 -1.787 -6.401) 8.799 5.412 ( -4.953 -6.933 5.855) 10.338 5.696 ( -4.324 -5.014 0.513) 6.640 5.888 ( 6.129 -8.174 1.930) 10.397 6.130 ( -3.299 -7.915 -1.151) 8.652 6.269 ( -3.296 -4.433 -2.805) 6.196 6.433 ( 7.610 -3.286 0.523) 8.306 6.472 ( 4.359 0.505 6.772) 8.070 6.953 ( -12.725 21.824 -1.166) 25.289 7.482 ( -3.197 4.655 2.448) 6.155 7.698 ( -6.978 -0.280 3.837) 7.969 7.938 ( -1.891 -3.004 -0.581) 3.597 8.125 ( 8.543 4.755 5.489) 11.213 8.379 ( -0.768 -2.518 0.912) 2.786 8.473 ( -7.711 -4.722 -0.057) 9.042 8.788 ( 0.375 -5.897 5.872) 8.331 8.980 ( -5.114 -4.778 -1.702) 7.203 9.147 ( 3.902 5.603 -0.846) 6.881 9.353 ( -0.170 5.502 3.695) 6.630 9.529 ( 10.999 27.842 -4.098) 30.215 10.015 ( -4.299 -7.259 -4.775) 9.694 10.541 ( 8.446 0.314 0.156) 8.453 10.738 ( 1.229 9.193 4.298) 10.222 10.852 ( -2.052 -7.982 -5.756) 10.052 11.039 ( -5.231 -1.014 -3.644) 6.455 11.234 ( -1.363 -2.476 0.956) 2.984 11.313 ( -3.584 7.278 -0.765) 8.149 11.588 ( -1.769 -1.795 -2.762) 3.739 11.706 ( -1.262 13.860 -0.828) 13.942 11.953 ( 0.662 7.338 -3.678) 8.235 12.042 ( 6.222 -3.361 1.666) 7.265 12.138 ( 0.516 -0.368 -3.695) 3.749 12.379 ( -0.724 -1.010 -0.501) 1.339 12.712 ( 5.439 8.332 -6.850) 12.080 12.925 ( 7.120 -12.200 1.081) 14.167 13.434 ( 7.238 -9.835 0.058) 12.212 13.572 ( -1.694 -3.546 1.019) 4.060 13.741 ( 0.217 -7.970 5.443) 9.654 14.095 ( -2.958 -1.283 -2.021) 3.805 14.424 ( -2.040 -6.927 3.268) 7.927 14.745 ( -6.024 -8.554 -0.222) 10.465 14.860 ( -1.669 -10.977 -5.560) 12.418 15.899 ( -9.643 16.796 -0.926) 19.390 16.483 ( -3.202 33.249 1.833) 33.453 16.863 ( 7.090 14.337 -2.266) 16.154 17.470 ( -12.559 10.391 8.451) 18.361 17.717 ( -5.690 9.380 -1.574) 11.083 17.990 ( 2.138 14.866 7.095) 16.610 18.313 ( 4.565 21.690 -2.607) 22.318 18.762 ( 3.153 -4.168 -4.491) 6.890 18.905 ( 11.740 -6.198 0.986) 13.312 20.264 ( 9.149 -0.716 8.927) 12.802 20.570 ( -0.937 -6.528 0.365) 6.605 20.823 ( 4.454 -14.867 0.194) 15.521 23.664 ( 5.071 29.141 -1.052) 29.598 24.720 ( -7.850 14.244 -8.775) 18.480 25.268 ( 0.245 -13.617 -4.001) 14.195 25.588 ( -4.387 -9.548 -0.362) 10.514 27.969 ( 4.237 0.908 6.194) 7.559 28.381 ( 1.740 -5.842 1.710) 6.330 ======================= Grid point 175 (93/128) ======================= q-point: (-0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -5.568 15.319 3.003) 16.573 1.719 ( 0.773 -6.112 -13.520) 14.858 2.078 ( -7.684 8.926 2.225) 11.986 2.142 ( 6.627 16.562 -10.937) 20.924 2.333 ( -8.630 -0.121 9.415) 12.772 2.644 ( 1.488 13.359 1.784) 13.559 2.726 ( 4.366 -3.395 -7.248) 9.117 2.872 ( -4.941 10.352 1.548) 11.575 2.958 ( 0.455 -1.897 2.495) 3.168 3.107 ( -0.534 2.459 -1.257) 2.813 3.215 ( -1.206 36.387 1.574) 36.441 3.636 ( 4.154 19.876 1.356) 20.351 3.769 ( 4.909 4.375 -15.073) 16.445 3.989 ( -1.460 7.477 4.210) 8.704 4.063 ( 3.821 25.098 -2.387) 25.499 4.359 ( -1.854 8.396 -2.030) 8.834 4.470 ( 7.975 1.861 1.833) 8.392 4.829 ( -3.229 3.030 -3.513) 5.652 4.991 ( -0.596 -3.232 -1.738) 3.717 5.288 ( -8.467 -5.481 4.352) 10.985 5.617 ( -3.752 -8.931 -2.324) 9.962 5.999 ( 2.933 -2.792 1.672) 4.381 6.030 ( -5.443 -11.845 1.398) 13.111 6.153 ( -8.468 -0.561 -7.098) 11.064 6.525 ( -0.418 4.526 5.291) 6.976 6.546 ( 2.867 -1.392 3.248) 4.550 6.778 ( -2.739 10.760 2.153) 11.310 7.397 ( -5.954 1.224 1.907) 6.370 7.567 ( -5.811 -0.886 0.182) 5.881 7.883 ( -2.904 -2.887 0.611) 4.140 8.281 ( -0.654 -2.986 5.554) 6.340 8.328 ( -1.265 -6.866 -0.472) 6.998 8.410 ( 5.637 -0.196 1.216) 5.770 8.862 ( 5.818 -3.162 7.418) 9.944 8.876 ( -3.642 2.724 0.689) 4.600 9.269 ( 7.855 2.885 0.232) 8.371 9.346 ( -1.333 0.781 3.281) 3.627 9.683 ( 4.487 12.848 -5.618) 14.723 9.947 ( -2.862 2.775 -2.883) 4.919 10.644 ( 1.899 5.114 4.843) 7.295 10.770 ( 2.570 6.914 0.044) 7.376 10.823 ( -5.435 -8.365 -0.886) 10.014 10.863 ( -7.930 -2.920 -9.105) 12.422 11.137 ( -2.956 3.643 2.682) 5.405 11.312 ( 0.519 -1.092 0.306) 1.247 11.586 ( 1.324 -1.064 -1.004) 1.973 11.740 ( 3.961 11.650 0.068) 12.305 11.909 ( -4.797 3.979 -7.337) 9.626 12.140 ( 1.243 4.426 -3.352) 5.690 12.189 ( 7.138 -7.137 1.853) 10.263 12.366 ( -0.506 1.774 -0.167) 1.853 12.793 ( 2.444 3.053 -2.737) 4.774 13.099 ( 9.983 -11.068 0.580) 14.916 13.431 ( -4.614 -3.580 0.875) 5.905 13.596 ( -0.563 0.412 0.787) 1.052 13.794 ( 4.836 -11.272 5.348) 13.380 14.036 ( -1.326 -5.682 -1.842) 6.119 14.361 ( -4.827 -7.353 5.823) 10.549 14.607 ( -6.683 -4.107 0.862) 7.891 14.843 ( -0.535 -11.032 -6.268) 12.700 15.732 ( -7.580 19.048 -1.030) 20.526 16.441 ( -0.708 21.707 0.768) 21.732 17.063 ( 13.106 9.059 -4.069) 16.444 17.266 ( -7.906 18.493 0.743) 20.125 17.641 ( -2.015 6.422 -3.465) 7.571 18.021 ( 1.227 21.246 9.747) 23.407 18.423 ( 6.802 17.701 -5.053) 19.625 18.787 ( -0.023 -4.345 -1.965) 4.769 19.137 ( 11.729 -6.518 0.058) 13.418 20.380 ( 0.350 -10.043 4.849) 11.157 20.552 ( -0.758 -1.376 2.028) 2.565 20.927 ( 5.573 -12.637 2.495) 14.035 23.575 ( -17.702 37.239 -31.175) 51.691 24.771 ( 17.808 11.017 19.289) 28.470 25.211 ( -4.604 -12.929 -11.831) 18.120 25.573 ( 2.854 -8.563 6.497) 11.121 28.030 ( 0.558 -0.020 6.589) 6.612 28.410 ( 0.980 -6.082 2.503) 6.649 ======================= Grid point 176 (94/128) ======================= q-point: (-0.10 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 11.267 12.717 15.084) 22.720 1.773 ( 4.972 -6.950 -9.801) 13.004 1.843 ( -13.588 10.102 17.391) 24.272 2.134 ( -6.069 -1.892 15.944) 17.164 2.314 ( 1.218 21.103 -9.014) 22.980 2.674 ( 3.195 5.480 -14.961) 16.251 2.763 ( -1.695 -0.978 -3.588) 4.087 2.785 ( -0.728 18.247 10.283) 20.958 2.929 ( 1.196 1.688 -7.652) 7.926 3.157 ( 2.830 14.746 -1.987) 15.147 3.224 ( 2.139 22.177 -1.610) 22.338 3.778 ( 8.206 20.526 2.459) 22.242 3.872 ( 1.885 1.118 -7.638) 7.946 3.985 ( 4.708 14.073 -6.717) 16.289 4.115 ( 1.889 18.598 -3.287) 18.980 4.331 ( -0.154 6.064 -2.245) 6.468 4.636 ( 8.384 2.342 -0.663) 8.730 4.809 ( 0.514 3.109 -5.408) 6.259 4.945 ( -3.460 -2.210 -0.396) 4.125 5.096 ( -11.445 -2.074 3.438) 12.129 5.545 ( -3.309 -11.786 -2.577) 12.510 5.850 ( -9.289 -2.019 -0.308) 9.511 5.928 ( -11.090 8.971 -8.334) 16.520 6.104 ( 3.348 -12.094 3.670) 13.075 6.467 ( -3.589 6.313 8.301) 11.029 6.584 ( 0.556 -1.520 4.378) 4.667 6.831 ( 5.613 -1.055 2.965) 6.435 7.241 ( -10.015 -1.731 1.854) 10.332 7.499 ( -1.014 -2.053 -3.175) 3.914 7.857 ( 0.036 -3.324 0.668) 3.391 8.204 ( -3.242 -8.421 0.942) 9.072 8.302 ( -1.525 -11.944 -2.472) 12.293 8.630 ( 12.217 4.453 5.029) 13.942 8.803 ( -1.979 5.086 -0.344) 5.469 9.050 ( 8.583 3.781 7.369) 11.928 9.328 ( 1.222 -1.310 3.203) 3.670 9.415 ( 5.633 -2.859 2.610) 6.835 9.696 ( -1.492 -3.971 2.940) 5.161 9.862 ( -5.770 11.680 -5.909) 14.305 10.534 ( -12.836 -5.698 0.760) 14.065 10.679 ( -1.355 5.348 1.128) 5.631 10.828 ( 0.722 -6.899 -2.781) 7.473 10.866 ( 5.900 3.629 0.622) 6.954 11.163 ( 2.851 6.458 -2.535) 7.500 11.307 ( 0.337 -0.289 2.315) 2.357 11.632 ( 2.479 -0.294 -0.908) 2.657 11.751 ( -7.858 5.073 -8.848) 12.876 11.842 ( 4.133 6.565 1.103) 7.836 12.165 ( 1.151 3.370 -0.668) 3.623 12.300 ( 3.088 3.117 0.317) 4.400 12.386 ( 3.852 -2.467 -0.996) 4.681 12.770 ( -5.034 -3.613 -2.050) 6.527 13.258 ( 4.655 -4.809 1.162) 6.793 13.364 ( -2.326 -4.357 3.290) 5.934 13.499 ( -6.974 5.984 2.215) 9.453 13.862 ( 1.103 -14.449 6.398) 15.840 14.087 ( 5.454 -8.318 -3.085) 10.414 14.248 ( -6.705 -9.147 7.433) 13.560 14.525 ( -1.394 0.063 2.044) 2.475 14.815 ( -1.952 -9.161 -4.985) 10.611 15.611 ( -4.405 20.951 -0.810) 21.424 16.455 ( 1.895 10.962 -1.820) 11.272 17.131 ( -2.677 26.153 -1.594) 26.338 17.336 ( 9.316 4.862 -6.122) 12.162 17.614 ( -1.423 -0.558 -2.623) 3.036 18.123 ( 10.111 22.330 5.733) 25.174 18.551 ( 6.417 14.242 -6.241) 16.821 18.763 ( -2.347 -4.947 0.858) 5.542 19.367 ( 12.632 -1.963 -0.338) 12.788 20.292 ( -10.871 -7.391 1.387) 13.218 20.475 ( -6.907 -1.144 1.914) 7.259 21.027 ( 4.067 -13.395 3.552) 14.442 23.014 ( -30.953 53.067 -39.785) 73.191 24.996 ( -5.598 -16.354 -10.876) 20.423 25.494 ( 36.876 -2.985 22.397) 43.248 25.684 ( 9.149 -4.223 8.775) 13.362 27.981 ( -5.865 1.321 3.472) 6.942 28.425 ( 0.421 -6.739 2.733) 7.284 ======================= Grid point 177 (95/128) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.204 11.634 4.414) 12.445 1.692 ( 0.222 -8.484 -2.869) 8.959 1.896 ( 5.433 7.151 21.240) 23.060 2.024 ( 4.983 -5.798 19.746) 21.174 2.551 ( -3.278 5.127 -10.994) 12.566 2.640 ( -3.440 -4.881 -7.396) 9.505 2.782 ( -0.144 5.887 -10.357) 11.914 2.861 ( 2.637 -2.209 -6.815) 7.634 3.226 ( 6.834 9.050 0.091) 11.340 3.319 ( 7.762 -1.449 -5.388) 9.559 3.899 ( -1.321 29.270 -2.714) 29.425 3.933 ( 2.296 5.412 -8.658) 10.465 4.001 ( 0.567 -1.284 -5.290) 5.473 4.290 ( 0.091 -7.827 -0.671) 7.856 4.387 ( 1.492 19.180 -6.150) 20.197 4.716 ( -5.196 3.908 0.165) 6.503 4.777 ( 4.253 -1.871 0.052) 4.646 4.790 ( -5.499 2.184 -0.371) 5.928 4.909 ( -0.732 21.516 -0.309) 21.531 4.983 ( 1.737 4.057 -0.804) 4.486 5.186 ( 2.008 -13.521 -2.578) 13.910 5.528 ( -0.329 -22.719 1.084) 22.747 5.909 ( -4.492 4.691 -1.167) 6.599 5.971 ( -0.766 -4.476 1.599) 4.815 6.569 ( -3.351 6.663 6.982) 10.216 6.611 ( -1.455 2.587 6.259) 6.928 6.871 ( 1.065 1.420 1.708) 2.463 7.010 ( -3.529 -6.507 1.924) 7.649 7.519 ( 0.873 4.604 -2.734) 5.425 7.675 ( -0.513 -10.611 0.159) 10.625 8.083 ( 1.981 -2.977 -0.873) 3.681 8.102 ( 1.982 -5.372 -2.337) 6.185 8.865 ( 0.684 5.259 2.648) 5.928 8.894 ( 1.139 3.073 0.915) 3.402 9.244 ( -7.039 -6.124 2.292) 9.608 9.257 ( -2.913 -5.995 4.502) 8.044 9.388 ( 8.576 11.067 9.153) 16.727 9.616 ( 12.974 -11.382 13.368) 21.830 9.962 ( -6.360 10.889 -8.902) 15.436 10.153 ( -7.383 -9.528 -7.307) 14.096 10.698 ( -1.908 4.692 -2.246) 5.540 10.829 ( 1.636 -7.727 -1.818) 8.104 10.986 ( 1.845 9.746 5.597) 11.389 11.210 ( 3.156 -10.537 4.265) 11.797 11.405 ( -0.577 8.651 -6.117) 10.611 11.543 ( -4.581 -4.098 -8.102) 10.170 11.821 ( -0.474 8.603 -2.481) 8.967 11.961 ( -1.036 -3.137 -1.523) 3.638 12.254 ( 8.059 3.438 6.429) 10.867 12.377 ( 6.870 -7.041 2.729) 10.209 12.541 ( 0.176 12.363 -1.453) 12.449 12.646 ( -6.078 2.876 -4.360) 8.014 13.121 ( -4.432 -5.895 2.407) 7.758 13.176 ( -3.673 -9.638 -1.483) 10.420 13.532 ( -7.682 11.128 9.740) 16.665 13.721 ( -2.519 -7.002 5.884) 9.487 13.973 ( -0.541 -1.142 0.779) 1.484 14.056 ( 3.787 -7.757 -0.223) 8.635 14.572 ( 1.120 2.280 1.246) 2.829 14.645 ( -0.874 -5.123 0.036) 5.197 15.972 ( -0.042 20.193 -1.230) 20.231 16.331 ( 0.969 -16.238 -2.001) 16.389 17.444 ( 3.310 5.574 -5.757) 8.670 17.535 ( 3.534 -3.725 -5.460) 7.495 17.921 ( -1.914 34.908 -1.868) 35.010 18.427 ( 0.250 -15.850 0.199) 15.853 18.625 ( -1.978 8.317 1.664) 8.709 18.735 ( -0.961 -0.911 -0.421) 1.389 19.784 ( 4.819 13.495 0.840) 14.354 20.009 ( -0.901 -6.212 -0.144) 6.278 20.417 ( -2.797 10.555 4.523) 11.819 20.746 ( -0.120 -19.443 4.673) 19.997 23.577 ( -11.781 47.537 -21.908) 53.652 24.353 ( -8.032 -32.941 -15.164) 37.143 25.791 ( 7.412 3.677 5.394) 9.877 25.928 ( 13.531 -11.282 9.098) 19.827 28.032 ( -0.148 10.349 1.583) 10.471 28.251 ( 0.423 -11.347 2.136) 11.554 ======================= Grid point 178 (96/128) ======================= q-point: ( 0.10 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -2.455 13.344 2.355) 13.771 1.652 ( -1.717 -9.349 -3.116) 10.003 2.128 ( 12.435 6.688 10.808) 17.782 2.220 ( 9.848 -2.977 7.608) 12.795 2.452 ( -5.165 3.484 -8.991) 10.939 2.553 ( -4.746 -6.863 -4.394) 9.431 2.789 ( 2.214 8.555 -3.389) 9.465 2.917 ( 3.333 -4.494 -1.766) 5.867 3.305 ( 0.815 8.369 -3.643) 9.164 3.395 ( -0.330 -1.695 -7.760) 7.950 3.841 ( -3.986 20.871 -7.797) 22.633 3.950 ( -1.263 3.498 -14.272) 14.748 3.994 ( 1.444 15.069 -6.190) 16.355 4.294 ( 1.224 -7.854 0.499) 7.964 4.396 ( 0.786 9.983 -5.921) 11.634 4.570 ( -7.722 0.216 3.335) 8.414 4.674 ( -5.814 7.584 2.824) 9.965 4.794 ( -1.917 -5.989 2.559) 6.789 4.918 ( 1.681 25.953 1.514) 26.051 5.117 ( 9.781 1.567 -3.387) 10.469 5.308 ( 9.398 -9.626 -4.307) 14.125 5.577 ( 4.688 -22.440 0.704) 22.935 5.859 ( -0.562 5.753 2.715) 6.387 5.948 ( -1.903 -5.635 2.551) 6.471 6.505 ( -3.895 6.820 8.906) 11.874 6.572 ( -2.858 0.349 6.733) 7.323 6.899 ( 2.659 4.933 0.953) 5.684 7.062 ( 6.793 -8.387 3.543) 11.359 7.569 ( 4.519 3.056 -2.662) 6.070 7.687 ( 1.980 -8.332 0.524) 8.580 8.151 ( 4.867 -2.128 -1.861) 5.629 8.169 ( 5.035 -4.119 -2.796) 7.081 8.817 ( -7.004 5.859 2.280) 9.411 8.906 ( 1.382 5.948 0.852) 6.166 8.985 ( -14.340 -3.172 6.436) 16.035 9.160 ( -4.557 -12.624 5.404) 14.469 9.620 ( 8.536 13.687 5.648) 17.091 9.835 ( -2.792 1.459 -4.047) 5.128 9.972 ( 12.568 -6.549 3.666) 14.639 10.071 ( 1.104 -7.445 -5.231) 9.165 10.657 ( -1.808 5.344 -1.764) 5.911 10.796 ( -4.221 -7.314 -4.127) 9.398 11.049 ( 4.830 8.994 5.070) 11.399 11.278 ( 3.235 -12.510 5.689) 14.118 11.391 ( -0.754 6.543 -6.156) 9.016 11.473 ( -1.297 -0.522 -5.730) 5.898 11.795 ( -1.079 8.321 -2.206) 8.676 11.938 ( -0.772 -4.576 -0.926) 4.733 12.369 ( 0.734 6.249 -1.143) 6.395 12.476 ( -1.849 1.854 -3.186) 4.124 12.548 ( 1.056 8.592 -3.791) 9.451 12.589 ( 6.281 4.291 4.182) 8.681 13.008 ( -6.500 -8.369 5.981) 12.169 13.085 ( -5.507 -12.725 0.219) 13.867 13.424 ( -3.759 10.294 8.803) 14.057 13.647 ( -4.561 -11.534 7.073) 14.278 13.978 ( -0.080 3.976 0.619) 4.025 14.106 ( 1.026 -8.377 1.446) 8.562 14.584 ( -0.028 1.126 0.092) 1.130 14.640 ( 0.980 -4.397 -0.773) 4.570 16.001 ( 2.994 20.129 -0.753) 20.365 16.369 ( 2.833 -17.571 -1.485) 17.860 17.469 ( 0.566 10.391 -6.418) 12.226 17.610 ( 4.950 -4.565 -7.527) 10.099 17.920 ( 1.994 34.519 -1.580) 34.612 18.409 ( -2.021 -16.615 0.993) 16.767 18.561 ( -4.944 9.721 3.461) 11.442 18.689 ( -3.847 -2.226 0.958) 4.547 19.628 ( -13.554 23.546 -1.493) 27.209 20.044 ( 0.497 -16.046 -0.504) 16.062 20.470 ( 5.170 10.699 6.222) 13.413 20.761 ( 0.583 -17.260 4.235) 17.782 23.475 ( 2.744 47.323 -9.056) 48.260 24.271 ( 0.813 -34.550 -6.848) 35.232 25.833 ( -3.212 4.611 -1.817) 5.906 25.981 ( -7.487 -10.967 -3.464) 13.723 28.089 ( 4.926 7.845 2.285) 9.541 28.279 ( 1.905 -10.477 1.923) 10.821 ======================= Grid point 179 (97/128) ======================= q-point: ( 0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 5.830 12.184 -7.942) 15.669 1.649 ( 1.797 -7.400 -9.818) 12.426 2.199 ( -5.862 7.235 -10.812) 14.269 2.321 ( -0.024 -4.460 -4.739) 6.508 2.470 ( 6.164 3.135 5.777) 9.011 2.524 ( 5.218 -2.071 3.738) 6.744 2.847 ( 2.113 5.663 3.748) 7.112 2.954 ( -1.096 -4.395 2.323) 5.090 3.255 ( -4.540 3.279 -6.024) 8.225 3.299 ( -7.140 -1.213 -6.986) 10.063 3.762 ( -2.324 16.265 -11.155) 19.859 3.904 ( -2.227 5.830 -13.691) 15.047 4.007 ( 0.568 21.098 -5.243) 21.747 4.348 ( 2.649 -9.381 -0.501) 9.761 4.410 ( 1.176 7.167 -5.131) 8.892 4.490 ( 0.231 0.332 2.908) 2.936 4.577 ( -4.758 11.174 5.292) 13.248 4.767 ( 0.133 -8.002 2.744) 8.460 4.949 ( 0.767 24.455 2.188) 24.564 5.299 ( 8.159 -5.441 -2.680) 10.166 5.496 ( 9.568 -4.773 -3.325) 11.198 5.668 ( 3.707 -21.453 -0.257) 21.773 5.883 ( 2.430 2.313 4.541) 5.646 5.915 ( -0.994 -1.330 3.803) 4.149 6.425 ( -5.235 7.225 9.045) 12.705 6.517 ( -3.538 -2.143 6.534) 7.733 6.996 ( 7.082 10.539 0.994) 12.736 7.223 ( 8.732 -10.894 3.892) 14.494 7.683 ( 6.764 1.411 -1.712) 7.119 7.758 ( 5.400 -4.967 0.935) 7.396 8.261 ( 6.542 -0.715 -1.704) 6.798 8.288 ( 7.251 -2.171 -1.943) 7.814 8.631 ( -10.999 5.637 2.241) 12.560 8.740 ( -10.747 -1.980 8.018) 13.554 8.950 ( 2.433 2.640 -0.730) 3.664 9.118 ( -0.984 -11.059 2.950) 11.488 9.677 ( -0.820 9.930 -0.660) 9.986 9.725 ( -6.493 5.900 -3.387) 9.405 10.083 ( 2.068 -0.602 -3.436) 4.055 10.191 ( 3.335 -10.176 7.878) 13.294 10.637 ( -0.101 3.742 -2.459) 4.478 10.729 ( -0.823 -4.283 -3.911) 5.858 11.155 ( 3.868 4.461 2.125) 6.275 11.315 ( -0.099 -8.836 2.502) 9.184 11.393 ( 2.683 7.480 -3.318) 8.611 11.489 ( 3.480 -0.402 -0.449) 3.532 11.800 ( 1.716 7.396 -2.492) 7.991 11.949 ( 2.160 -6.607 -1.936) 7.215 12.298 ( -4.890 11.561 -4.260) 13.256 12.423 ( -2.656 4.638 -6.401) 8.339 12.534 ( -2.310 13.245 -2.496) 13.675 12.732 ( 3.617 4.434 4.388) 7.211 12.878 ( -7.033 -12.717 -2.968) 14.832 13.009 ( -2.083 -17.230 7.815) 19.034 13.413 ( 1.906 6.303 6.727) 9.413 13.585 ( -1.824 -10.692 5.113) 11.991 13.963 ( -1.165 4.890 2.824) 5.765 14.103 ( -1.077 -9.017 4.114) 9.970 14.599 ( 2.070 1.871 -1.090) 2.996 14.677 ( 2.792 -5.833 -2.279) 6.857 16.085 ( 5.629 18.486 -0.233) 19.325 16.430 ( 3.522 -16.955 -0.314) 17.320 17.500 ( 3.914 18.666 -7.907) 20.645 17.704 ( 4.955 -2.197 -3.739) 6.585 17.994 ( 5.737 24.748 -3.574) 25.654 18.342 ( -5.746 -6.509 3.551) 9.380 18.463 ( -4.354 4.995 4.393) 7.950 18.591 ( -6.270 -4.320 3.071) 8.210 19.393 ( -9.885 32.227 -2.037) 33.770 20.022 ( -1.691 -27.566 -1.330) 27.650 20.524 ( -1.104 9.322 6.142) 11.218 20.744 ( -3.098 -12.917 2.905) 13.597 23.634 ( 12.402 41.591 1.443) 43.425 24.361 ( 7.905 -32.289 0.800) 33.253 25.661 ( -14.206 3.922 -9.836) 17.718 25.762 ( -10.164 -5.695 -7.964) 14.113 28.168 ( 1.979 4.378 1.833) 5.142 28.309 ( 0.581 -8.757 1.282) 8.869 ======================= Grid point 180 (98/128) ======================= q-point: ( 0.30 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 9.106 6.235 -18.183) 21.270 1.688 ( 3.362 -1.698 -16.138) 16.572 2.115 ( 0.177 8.201 -7.804) 11.322 2.257 ( -2.689 -6.583 -3.838) 8.081 2.619 ( 6.940 4.934 2.326) 8.827 2.662 ( 6.041 0.353 2.044) 6.387 2.796 ( -7.275 2.246 -0.124) 7.615 2.846 ( -8.501 -2.549 -2.585) 9.244 3.146 ( -4.217 3.662 0.107) 5.586 3.198 ( -5.277 -1.711 1.105) 5.656 3.735 ( 0.664 12.030 -9.698) 15.467 3.859 ( -0.678 1.022 -12.469) 12.529 4.023 ( 1.241 23.751 -2.292) 23.894 4.358 ( -0.203 -2.207 3.414) 4.071 4.446 ( -0.391 3.426 -6.996) 7.800 4.498 ( -1.282 12.337 5.657) 13.633 4.546 ( 4.083 3.653 -0.532) 5.504 4.813 ( 3.572 -13.663 1.518) 14.203 4.939 ( -2.230 22.200 3.219) 22.543 5.393 ( 1.182 -16.773 0.113) 16.815 5.656 ( 6.540 -0.721 0.679) 6.614 5.721 ( 2.569 -8.258 -0.468) 8.661 5.932 ( 2.509 -0.221 2.774) 3.747 5.954 ( 4.205 -2.897 1.844) 5.429 6.324 ( -5.456 7.793 7.507) 12.119 6.441 ( -4.821 -4.226 5.796) 8.642 7.159 ( 8.994 11.748 1.825) 14.907 7.390 ( 7.856 -10.715 3.709) 13.794 7.796 ( 4.684 2.106 0.439) 5.154 7.890 ( 7.032 -4.884 1.278) 8.656 8.391 ( 1.981 4.472 1.148) 5.024 8.407 ( 1.722 5.541 -0.282) 5.810 8.461 ( 1.467 -0.035 -1.261) 1.935 8.576 ( -6.887 -6.735 6.856) 11.823 8.987 ( 1.050 1.403 -2.997) 3.472 9.104 ( -0.550 -7.779 -1.326) 7.911 9.615 ( -4.002 7.943 -0.567) 8.912 9.666 ( 0.550 5.345 0.995) 5.465 10.041 ( -5.223 4.988 -0.890) 7.277 10.202 ( -1.632 -9.358 6.318) 11.408 10.649 ( 1.668 3.188 -2.767) 4.539 10.736 ( 0.611 -4.543 -2.392) 5.170 11.170 ( -1.035 3.331 1.366) 3.746 11.303 ( -0.459 -8.622 -0.094) 8.635 11.500 ( 6.338 10.453 0.359) 12.230 11.576 ( 4.488 3.442 -3.945) 6.896 11.841 ( 2.285 5.706 -1.157) 6.254 11.997 ( 2.140 -10.658 -4.585) 11.798 12.207 ( -4.650 13.205 0.084) 14.000 12.379 ( -0.438 5.942 -9.187) 10.950 12.480 ( -1.760 9.091 -2.359) 9.555 12.669 ( -6.924 4.944 -2.947) 9.004 12.795 ( -3.026 -8.309 -2.585) 9.213 12.971 ( -3.319 -17.988 6.600) 19.446 13.478 ( 2.913 2.476 6.053) 7.159 13.589 ( 1.229 -8.708 4.443) 9.853 13.967 ( 1.950 4.439 2.743) 5.570 14.101 ( 1.136 -8.866 4.683) 10.091 14.651 ( 2.816 1.512 -1.615) 3.581 14.739 ( 3.492 -6.986 -2.457) 8.187 16.217 ( 7.962 16.157 -0.315) 18.015 16.510 ( 4.596 -13.697 -0.188) 14.448 17.605 ( 6.910 23.673 -6.623) 25.535 17.787 ( 3.689 4.156 3.346) 6.487 18.117 ( 4.770 9.401 -1.920) 10.715 18.208 ( -5.464 2.030 0.235) 5.834 18.397 ( -4.147 0.602 6.055) 7.364 18.467 ( -6.024 -5.043 2.290) 8.183 19.238 ( -6.168 38.178 -1.275) 38.694 19.988 ( -1.836 -32.998 -0.920) 33.062 20.459 ( -4.891 8.062 4.815) 10.588 20.648 ( -6.443 -10.718 1.237) 12.567 23.890 ( 11.949 35.688 6.280) 38.155 24.537 ( 8.687 -29.288 5.028) 30.960 25.374 ( -11.749 11.777 -12.204) 20.632 25.600 ( -5.849 -10.676 -7.910) 14.517 28.156 ( -3.055 4.514 0.421) 5.467 28.294 ( -2.179 -8.443 0.209) 8.722 ======================= Grid point 181 (99/128) ======================= q-point: ( 0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 5.606 4.676 -16.944) 18.450 1.786 ( 6.891 -1.650 -20.196) 21.403 2.153 ( 1.424 5.740 -5.161) 7.849 2.256 ( 0.987 -4.496 -6.497) 7.962 2.573 ( -6.765 5.409 -3.602) 9.381 2.634 ( -6.304 0.094 -2.665) 6.845 2.751 ( 4.894 7.248 -1.600) 8.891 2.879 ( 8.579 -5.021 -1.235) 10.016 3.031 ( -10.652 2.440 0.711) 10.951 3.062 ( -6.771 -0.533 5.329) 8.633 3.779 ( 3.965 7.598 -3.104) 9.116 3.851 ( 0.357 1.941 -5.731) 6.061 4.040 ( 0.579 21.407 -2.940) 21.616 4.344 ( -4.046 13.209 0.868) 13.842 4.379 ( -1.217 -0.029 1.926) 2.278 4.527 ( 0.362 -0.589 0.303) 0.755 4.635 ( 5.181 8.584 -2.474) 10.327 4.865 ( -3.539 16.574 4.353) 17.498 4.888 ( 2.418 -9.707 -1.368) 10.097 5.373 ( -1.925 -22.486 1.724) 22.634 5.731 ( 0.757 1.163 5.461) 5.634 5.769 ( 1.704 -1.884 2.701) 3.708 6.005 ( 4.191 -0.663 0.621) 4.288 6.039 ( 4.059 -2.999 0.072) 5.048 6.252 ( -1.650 5.463 3.908) 6.916 6.348 ( -4.768 -4.211 4.096) 7.566 7.329 ( 7.862 9.901 1.951) 12.792 7.523 ( 5.324 -8.674 2.799) 10.555 7.864 ( 2.147 4.327 2.237) 5.323 7.989 ( 2.353 -5.604 3.956) 7.252 8.252 ( -7.189 10.563 2.548) 13.029 8.447 ( -4.089 -7.931 4.065) 9.806 8.551 ( 5.355 3.802 -0.800) 6.616 8.588 ( 6.544 0.157 -2.412) 6.976 8.975 ( -1.440 -0.055 -4.840) 5.050 9.093 ( -0.933 -8.349 -5.025) 9.789 9.583 ( 0.921 12.092 2.991) 12.491 9.714 ( 3.828 3.485 3.001) 5.984 9.941 ( -3.608 6.269 0.323) 7.240 10.150 ( -4.057 -10.242 3.082) 11.439 10.690 ( 2.438 0.941 -0.895) 2.762 10.737 ( -0.116 -2.932 -0.574) 2.990 11.160 ( 0.251 5.313 2.242) 5.773 11.318 ( 2.100 -9.114 0.366) 9.360 11.571 ( 0.504 12.740 -1.450) 12.832 11.637 ( 2.173 5.566 -8.137) 10.095 11.874 ( 0.954 5.759 -2.913) 6.524 12.012 ( 0.482 -8.765 -6.471) 10.906 12.118 ( -3.786 10.683 0.086) 11.334 12.343 ( -3.844 -6.380 -0.125) 7.449 12.526 ( 7.271 14.073 -8.249) 17.859 12.569 ( -3.158 4.191 -4.435) 6.871 12.686 ( -8.172 -3.244 0.176) 8.794 12.915 ( -1.519 -17.489 0.562) 17.564 13.516 ( 0.577 0.866 7.700) 7.770 13.611 ( 0.269 -8.207 5.238) 9.740 14.041 ( 4.976 4.135 0.112) 6.471 14.160 ( 4.201 -7.753 2.708) 9.225 14.690 ( 1.258 1.265 -2.076) 2.737 14.791 ( 1.635 -8.732 -2.430) 9.210 16.380 ( 8.093 13.015 -0.595) 15.338 16.584 ( 2.286 -7.602 -0.430) 7.950 17.714 ( 3.117 24.889 1.276) 25.116 17.864 ( 2.984 1.926 6.884) 7.746 18.025 ( -5.758 10.750 4.981) 13.173 18.253 ( -2.011 -8.463 -2.378) 9.018 18.326 ( 0.727 3.273 0.699) 3.425 18.376 ( -2.202 -1.574 -1.619) 3.154 19.151 ( -2.716 42.460 0.259) 42.548 19.947 ( -2.183 -31.103 0.045) 31.180 20.386 ( -2.266 2.287 3.347) 4.644 20.524 ( -5.659 -8.790 0.173) 10.455 24.064 ( 5.084 33.084 5.105) 33.860 24.672 ( 4.622 -27.630 4.894) 28.439 25.231 ( -2.244 15.817 -8.324) 18.014 25.530 ( -1.008 -14.016 -6.050) 15.299 28.073 ( -4.756 6.345 -0.668) 7.958 28.236 ( -3.219 -9.284 -0.562) 9.843 ======================= Grid point 182 (100/128) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 5.427 3.472 -15.423) 16.715 1.876 ( 3.145 -0.739 -20.570) 20.823 2.132 ( -2.278 1.867 -7.381) 7.946 2.164 ( -5.243 -1.172 -9.321) 10.759 2.514 ( -1.417 6.977 -2.906) 7.690 2.626 ( 2.956 -4.083 -1.010) 5.141 2.792 ( -12.117 6.480 0.814) 13.765 2.879 ( 9.428 11.043 -2.907) 14.808 2.903 ( -7.887 -4.420 2.546) 9.393 3.064 ( 8.155 -7.636 1.793) 11.315 3.847 ( 1.356 9.046 -1.221) 9.229 3.854 ( 0.846 2.531 -0.162) 2.674 4.040 ( -0.395 20.962 -4.192) 21.381 4.233 ( -6.143 15.871 2.162) 17.155 4.389 ( 0.877 -3.615 1.282) 3.934 4.464 ( -6.451 -7.222 1.976) 9.883 4.720 ( 1.763 11.292 -0.907) 11.464 4.802 ( -0.508 24.141 2.457) 24.271 4.957 ( 3.972 -11.983 -3.245) 13.035 5.359 ( 0.631 -22.646 1.386) 22.697 5.699 ( -4.385 2.350 8.082) 9.490 5.769 ( -2.488 -3.555 6.082) 7.472 6.061 ( 1.306 -1.151 -0.225) 1.756 6.102 ( 2.279 -3.533 -0.539) 4.238 6.277 ( 2.443 1.220 2.215) 3.516 6.297 ( 1.148 -0.409 1.458) 1.901 7.446 ( 3.498 7.955 0.515) 8.705 7.597 ( 2.210 -5.174 1.256) 5.764 7.877 ( -1.414 4.076 4.436) 6.188 7.992 ( -2.035 -4.093 6.421) 7.882 8.149 ( -3.224 12.612 2.541) 13.263 8.385 ( -2.323 -10.351 3.672) 11.226 8.612 ( 0.432 4.689 -2.607) 5.382 8.681 ( 2.282 0.538 -2.525) 3.445 8.947 ( -0.949 -2.818 -4.058) 5.031 9.048 ( -2.487 -8.993 -5.362) 10.761 9.654 ( 5.311 17.452 2.520) 18.415 9.755 ( -0.503 13.650 2.818) 13.947 9.967 ( 5.434 -7.238 -0.198) 9.053 10.070 ( -2.436 -9.839 1.839) 10.302 10.727 ( 0.925 -0.413 0.254) 1.044 10.750 ( 1.810 -2.589 -0.586) 3.213 11.183 ( 1.650 8.101 3.332) 8.913 11.375 ( 2.989 -9.684 2.468) 10.431 11.511 ( -5.589 13.448 -4.361) 15.202 11.644 ( -1.364 1.406 -9.733) 9.928 11.870 ( 0.009 7.039 -8.332) 10.907 12.044 ( 3.495 -2.391 -3.343) 5.395 12.066 ( -1.619 8.482 -1.774) 8.816 12.287 ( -1.488 -2.786 1.502) 3.497 12.476 ( -8.740 0.914 1.166) 8.864 12.522 ( -5.185 -6.912 -0.451) 8.652 12.688 ( 8.893 10.674 -7.289) 15.689 12.941 ( 4.312 -13.306 -4.080) 14.570 13.524 ( -0.190 -0.043 8.235) 8.237 13.610 ( -0.754 -7.869 5.418) 9.584 14.133 ( 4.049 4.227 -2.330) 6.300 14.244 ( 3.783 -6.902 0.615) 7.895 14.697 ( -0.228 0.387 -2.333) 2.376 14.792 ( -1.260 -8.992 -2.109) 9.322 16.476 ( -0.171 9.271 -0.693) 9.299 16.590 ( -0.539 -2.059 -0.066) 2.130 17.671 ( -8.444 22.492 8.485) 25.479 17.831 ( -5.286 -1.036 11.490) 12.690 18.053 ( 4.361 7.743 0.496) 8.901 18.188 ( 0.012 -2.774 -0.065) 2.775 18.269 ( -2.616 8.936 0.353) 9.318 18.467 ( 6.418 -7.799 -6.522) 12.023 19.128 ( 0.025 44.235 0.806) 44.242 19.919 ( -0.300 -27.124 0.612) 27.132 20.381 ( 1.168 -4.465 2.340) 5.174 20.454 ( -1.085 -6.436 0.195) 6.530 24.122 ( 1.810 33.772 2.882) 33.943 24.740 ( 2.691 -27.599 3.258) 27.921 25.221 ( 0.167 15.539 -5.755) 16.572 25.520 ( -0.568 -14.142 -4.672) 14.905 27.998 ( -2.371 7.958 -0.228) 8.306 28.187 ( -1.484 -10.261 -0.314) 10.373 ======================= Grid point 183 (101/128) ======================= q-point: (-0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -10.102 4.832 -19.420) 22.417 1.825 ( -5.729 -1.387 -22.222) 22.990 2.140 ( 2.160 4.155 -8.705) 9.884 2.190 ( 8.190 -1.454 -6.026) 10.271 2.499 ( -1.523 4.547 -0.552) 4.827 2.578 ( -4.087 -2.296 2.019) 5.104 2.671 ( -1.822 3.912 1.064) 4.445 2.764 ( -4.807 -4.856 3.025) 7.473 3.095 ( 10.769 8.104 0.200) 13.479 3.204 ( 4.833 -3.059 3.214) 6.561 3.814 ( -2.835 7.050 -5.702) 9.500 3.862 ( -2.063 1.176 -5.637) 6.116 3.999 ( -3.251 25.098 -5.992) 26.007 4.141 ( -3.399 9.571 7.806) 12.810 4.336 ( -4.060 -2.550 9.895) 10.995 4.421 ( 1.445 -6.190 -2.297) 6.758 4.703 ( -1.250 22.833 -2.115) 22.965 4.837 ( 1.949 6.671 1.878) 7.199 5.031 ( 3.503 -1.796 -3.915) 5.552 5.381 ( 0.127 -15.598 2.023) 15.729 5.603 ( -4.735 -3.618 7.771) 9.793 5.683 ( -6.602 -6.496 6.755) 11.463 6.070 ( 0.011 -0.957 -2.621) 2.790 6.126 ( 0.726 -6.496 -2.440) 6.977 6.342 ( 4.861 3.179 1.905) 6.112 6.377 ( 4.810 -0.595 3.985) 6.274 7.445 ( -3.562 10.551 -2.425) 11.397 7.611 ( -1.061 -3.274 -0.084) 3.443 7.821 ( -4.271 2.288 5.014) 6.972 7.923 ( -5.502 -4.434 7.715) 10.462 8.154 ( 3.325 13.467 3.338) 14.267 8.353 ( -1.896 -5.728 3.753) 7.106 8.570 ( -4.136 0.180 -1.525) 4.412 8.649 ( -4.715 -6.074 -0.792) 7.730 8.932 ( 0.359 -0.459 -3.695) 3.741 9.029 ( 1.074 -7.668 -2.261) 8.067 9.658 ( -4.261 14.524 -0.381) 15.141 9.826 ( 3.416 8.938 1.221) 9.646 9.971 ( 2.241 2.484 -1.546) 3.686 10.216 ( 12.478 -10.951 1.575) 16.677 10.740 ( 0.478 -0.212 -1.647) 1.728 10.777 ( 0.622 -3.919 -1.964) 4.428 11.221 ( 1.351 9.684 4.280) 10.674 11.321 ( -8.342 5.260 -3.328) 10.409 11.486 ( 3.262 -2.011 2.890) 4.800 11.553 ( -6.158 -5.292 -9.728) 12.671 11.886 ( 1.871 9.465 -6.302) 11.524 12.036 ( -1.017 0.051 -3.166) 3.326 12.141 ( 5.385 8.606 -0.243) 10.155 12.208 ( -7.730 11.952 0.621) 14.247 12.340 ( -3.545 -6.516 2.106) 7.711 12.500 ( 3.436 -16.912 -2.102) 17.386 12.836 ( 6.713 10.891 -5.555) 13.947 13.059 ( 7.818 -11.155 -4.649) 14.393 13.525 ( -0.420 -0.904 6.979) 7.049 13.591 ( -1.557 -7.110 4.647) 8.635 14.180 ( 0.823 4.770 -3.139) 5.769 14.295 ( 1.254 -6.780 -0.651) 6.925 14.681 ( -1.246 -1.169 -2.161) 2.755 14.747 ( -2.986 -7.440 -1.426) 8.143 16.374 ( -8.099 12.365 -0.430) 14.788 16.569 ( -2.618 -7.038 0.012) 7.509 17.473 ( -10.968 20.253 8.293) 24.479 17.685 ( -10.011 -4.856 11.720) 16.160 18.110 ( 1.436 9.615 0.599) 9.740 18.211 ( 2.282 13.756 -1.071) 13.985 18.343 ( 8.499 -0.527 0.732) 8.547 18.567 ( 4.318 -10.110 -4.609) 11.921 19.143 ( 1.427 43.762 0.122) 43.786 19.935 ( 1.541 -28.894 0.420) 28.938 20.423 ( 3.074 -2.618 2.186) 4.591 20.491 ( 4.442 -6.607 1.338) 8.073 24.180 ( 4.486 34.690 2.846) 35.094 24.803 ( 3.832 -27.231 2.002) 27.572 25.177 ( -4.755 15.127 -7.743) 17.646 25.469 ( -4.603 -13.785 -5.575) 15.566 27.992 ( 1.590 8.192 1.909) 8.560 28.185 ( 1.164 -10.483 1.024) 10.597 ======================= Grid point 184 (102/128) ======================= q-point: (-0.30 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -13.177 10.535 -14.502) 22.247 1.671 ( -7.411 -6.464 -17.447) 20.027 2.175 ( 2.861 9.466 -12.556) 15.983 2.337 ( 4.786 -5.863 -6.509) 9.983 2.457 ( -4.726 1.857 4.886) 7.046 2.508 ( -0.739 -2.846 4.480) 5.359 2.702 ( 5.559 4.155 0.590) 6.965 2.776 ( 4.822 -3.220 0.395) 5.812 3.187 ( -4.834 5.857 4.643) 8.901 3.229 ( -2.116 1.323 6.921) 7.357 3.773 ( 0.244 2.935 -9.579) 10.022 3.785 ( -1.182 0.871 -16.647) 16.711 3.944 ( -1.600 26.999 -1.054) 27.067 4.118 ( 0.097 6.214 8.999) 10.936 4.343 ( 3.251 0.634 7.410) 8.116 4.436 ( -0.148 -6.210 -1.641) 6.425 4.697 ( 0.971 26.536 -1.987) 26.628 4.873 ( 1.907 -1.095 -0.990) 2.412 5.057 ( -0.983 9.500 -3.120) 10.048 5.319 ( -5.964 -2.781 4.788) 8.137 5.537 ( -8.128 -9.911 4.666) 13.641 5.585 ( 1.147 -20.156 3.926) 20.567 6.061 ( -0.861 0.636 -2.631) 2.841 6.127 ( -0.569 -6.001 -2.933) 6.703 6.447 ( 5.163 2.021 3.409) 6.508 6.477 ( 4.963 -0.763 4.622) 6.824 7.314 ( -9.266 16.157 -4.384) 19.134 7.548 ( -5.562 -3.745 -1.194) 6.810 7.722 ( -6.393 2.276 4.547) 8.169 7.820 ( -4.951 -5.412 4.661) 8.690 8.229 ( 0.626 4.962 6.204) 7.969 8.307 ( -2.515 -2.569 4.089) 5.445 8.443 ( -5.752 2.630 -0.655) 6.359 8.613 ( 2.137 -11.361 2.948) 11.930 8.953 ( 1.581 3.521 -2.098) 4.393 9.077 ( 3.738 -7.702 -0.408) 8.571 9.562 ( -5.009 12.319 0.668) 13.315 9.764 ( -5.929 -7.534 -2.337) 9.868 10.147 ( 11.042 20.835 -1.646) 23.637 10.459 ( 11.572 -9.996 -2.272) 15.459 10.730 ( -1.469 -1.826 -3.626) 4.318 10.771 ( -0.687 -4.369 -4.362) 6.212 11.123 ( -10.307 7.721 2.272) 13.077 11.220 ( -4.635 -0.431 0.926) 4.746 11.437 ( -2.434 3.829 -1.094) 4.667 11.558 ( 2.524 -3.847 0.314) 4.611 11.914 ( 1.448 3.854 -3.085) 5.145 12.010 ( -1.234 4.944 -2.733) 5.782 12.056 ( -5.943 4.842 -0.812) 7.709 12.260 ( 4.031 5.271 4.177) 7.841 12.301 ( 0.930 0.728 -2.982) 3.208 12.625 ( 7.910 -18.099 -0.452) 19.757 12.944 ( 5.262 14.173 -5.583) 16.116 13.217 ( 7.873 -13.001 -3.970) 15.709 13.523 ( 0.183 -0.814 3.665) 3.758 13.571 ( -0.155 -6.326 4.244) 7.620 14.153 ( -3.511 5.741 -1.413) 6.877 14.286 ( -2.363 -7.370 0.388) 7.749 14.640 ( -2.976 -1.432 -1.293) 3.547 14.690 ( -2.044 -6.130 -2.459) 6.914 16.215 ( -7.565 15.682 -0.362) 17.415 16.493 ( -4.718 -12.175 0.146) 13.058 17.309 ( -5.523 16.611 5.407) 18.321 17.510 ( -7.868 -5.359 8.248) 12.596 18.104 ( -1.559 21.785 -1.146) 21.871 18.292 ( 4.710 10.742 1.453) 11.819 18.505 ( 7.133 -3.622 -0.479) 8.014 18.635 ( 3.389 -9.367 -2.267) 10.216 19.190 ( 3.825 39.539 -0.384) 39.726 19.963 ( 1.023 -32.617 -0.183) 32.634 20.506 ( 4.834 2.133 3.217) 6.185 20.602 ( 6.150 -7.457 2.958) 10.109 24.299 ( 6.456 33.984 -1.994) 34.649 24.888 ( 3.961 -24.780 -3.009) 25.275 25.035 ( -7.594 16.305 -6.222) 19.032 25.349 ( -5.761 -14.870 -2.953) 16.218 28.046 ( 3.040 7.122 4.018) 8.724 28.221 ( 2.038 -9.863 2.485) 10.373 ======================= Grid point 185 (103/128) ======================= q-point: (-0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -4.340 14.311 -2.629) 15.184 1.554 ( -2.171 -10.786 -8.170) 13.704 2.178 ( -5.155 4.257 1.403) 6.832 2.247 ( -10.109 -2.567 9.693) 14.239 2.465 ( 7.169 9.421 -11.116) 16.239 2.607 ( 7.689 -5.821 -10.695) 14.402 2.810 ( 2.546 3.873 3.343) 5.715 2.876 ( 2.344 -3.437 4.457) 6.097 3.038 ( -5.756 6.166 0.428) 8.446 3.116 ( -5.347 -1.748 0.503) 5.648 3.803 ( 3.767 6.004 -6.603) 9.687 3.842 ( 5.245 1.089 -6.219) 8.208 3.934 ( 0.535 25.730 -4.269) 26.087 4.152 ( 3.096 8.350 4.314) 9.895 4.408 ( -1.688 -1.615 -3.716) 4.389 4.456 ( 7.200 -2.358 2.237) 7.900 4.729 ( 2.048 23.429 -1.960) 23.600 4.901 ( 0.747 -0.784 -3.201) 3.379 5.002 ( -3.690 15.235 -1.316) 15.731 5.198 ( -6.852 -2.454 3.967) 8.288 5.379 ( -8.045 -11.473 1.765) 14.123 5.606 ( -0.226 -26.755 2.751) 26.897 6.028 ( -2.212 2.434 -1.075) 3.460 6.094 ( -2.707 -3.882 -2.483) 5.344 6.536 ( 3.573 1.564 4.630) 6.054 6.570 ( 3.965 -1.149 4.381) 6.019 7.099 ( -11.704 18.980 -3.676) 22.600 7.388 ( -10.496 -7.395 -1.503) 12.927 7.606 ( -5.085 5.407 1.644) 7.602 7.744 ( -3.262 -8.069 2.099) 8.953 8.166 ( -4.551 -4.987 2.342) 7.146 8.188 ( -7.686 -4.982 3.724) 9.888 8.524 ( 10.199 9.435 4.545) 14.618 8.722 ( 8.095 -9.885 5.856) 14.055 8.978 ( 1.142 7.578 0.153) 7.665 9.153 ( 3.328 -9.608 1.222) 10.241 9.485 ( -2.782 9.174 1.758) 9.747 9.652 ( -4.973 -7.860 -0.685) 9.327 10.275 ( -0.001 20.448 -6.887) 21.577 10.601 ( -0.958 -12.039 -7.709) 14.328 10.699 ( -0.798 -1.010 0.552) 1.401 10.730 ( -1.061 -4.195 -6.620) 7.909 10.955 ( -5.064 7.988 6.366) 11.401 11.110 ( -3.290 -6.548 6.620) 9.876 11.443 ( 1.098 10.914 -2.297) 11.207 11.588 ( 1.288 -0.976 -1.196) 2.010 11.913 ( -3.433 -1.276 -5.484) 6.595 11.984 ( 0.016 -6.389 -2.489) 6.857 12.008 ( 1.812 13.141 3.105) 13.624 12.269 ( -0.126 -10.933 2.404) 11.195 12.404 ( 6.233 17.792 -0.303) 18.855 12.747 ( 3.484 -14.858 1.380) 15.324 13.044 ( 5.638 11.126 -5.915) 13.805 13.295 ( -0.184 -11.582 -2.606) 11.873 13.577 ( 5.042 -0.632 0.313) 5.091 13.617 ( 4.713 -5.206 3.692) 7.934 14.049 ( -6.516 5.731 1.605) 8.825 14.201 ( -6.460 -8.829 3.697) 11.548 14.580 ( -2.440 1.588 -0.863) 3.036 14.665 ( -0.567 -7.002 -3.275) 7.751 16.090 ( -5.387 17.745 -0.504) 18.551 16.403 ( -4.155 -13.717 0.287) 14.336 17.286 ( 2.575 9.930 0.640) 10.278 17.421 ( -1.447 -3.346 2.691) 4.532 18.056 ( -3.134 27.836 -2.503) 28.124 18.365 ( 2.506 5.049 2.785) 6.288 18.605 ( 3.484 -1.731 -2.488) 4.617 18.696 ( 2.616 -4.369 0.154) 5.095 19.312 ( 9.187 30.619 -0.099) 31.968 19.980 ( 1.189 -30.744 -0.244) 30.768 20.582 ( 1.506 4.080 4.200) 6.047 20.708 ( 3.868 -9.011 4.298) 10.706 24.281 ( -10.604 33.846 -25.522) 43.696 24.831 ( -9.286 -21.003 -17.158) 28.666 25.067 ( 13.601 13.006 13.493) 23.156 25.352 ( 7.287 -13.966 10.369) 18.859 28.090 ( 0.610 6.330 4.279) 7.665 28.253 ( 0.724 -9.407 3.022) 9.907 ======================= Grid point 186 (104/128) ======================= q-point: (-0.10 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 8.250 13.243 6.183) 16.783 1.598 ( 6.418 -10.951 -2.343) 12.908 1.983 ( -12.151 5.728 17.448) 22.020 2.075 ( -8.740 -3.861 15.946) 18.590 2.585 ( 2.743 7.685 -15.219) 17.268 2.694 ( 0.087 -4.383 -10.313) 11.206 2.782 ( -0.198 4.117 -7.407) 8.476 2.840 ( -1.541 -1.915 -1.928) 3.124 3.077 ( 6.997 7.179 1.500) 10.136 3.162 ( 7.443 -2.081 -2.267) 8.055 3.869 ( 2.885 14.204 2.166) 14.655 3.930 ( 1.357 9.043 -5.443) 10.642 3.950 ( 3.581 7.818 -6.364) 10.698 4.244 ( 5.128 7.094 -0.460) 8.766 4.372 ( -0.757 7.147 -6.100) 9.427 4.622 ( 9.189 -4.903 -1.300) 10.496 4.757 ( 0.609 18.341 -2.142) 18.476 4.884 ( -2.667 -3.180 -3.086) 5.172 4.932 ( -2.792 19.679 -0.468) 19.881 5.063 ( -6.954 -0.222 2.694) 7.461 5.239 ( -6.036 -13.093 -0.239) 14.419 5.572 ( -3.110 -26.542 1.714) 26.779 5.988 ( -1.483 0.754 0.597) 1.767 6.013 ( -5.252 -0.068 -2.524) 5.827 6.589 ( 1.155 2.300 5.119) 5.730 6.622 ( 0.416 1.461 5.274) 5.489 6.905 ( -6.388 13.110 -0.344) 14.588 7.168 ( -11.061 -8.981 -0.199) 14.249 7.535 ( -2.236 5.745 -1.390) 6.320 7.697 ( -1.750 -10.154 0.572) 10.320 8.086 ( -2.587 -3.908 1.097) 4.813 8.102 ( -1.895 -5.922 -0.057) 6.218 8.748 ( 10.799 7.391 5.158) 14.066 8.863 ( 3.063 -1.647 2.666) 4.382 9.065 ( 10.243 2.912 4.835) 11.695 9.213 ( 4.015 -9.534 3.533) 10.932 9.440 ( -3.475 5.322 3.687) 7.348 9.566 ( -4.140 -7.186 5.292) 9.838 10.142 ( -10.200 13.715 -8.786) 19.218 10.372 ( -14.254 -10.241 -5.615) 18.428 10.728 ( -0.693 0.052 -3.418) 3.488 10.765 ( 4.340 -1.789 -0.042) 4.695 10.939 ( 1.821 8.027 6.181) 10.293 11.139 ( 3.719 -9.186 4.320) 10.811 11.433 ( -1.425 11.391 -5.623) 12.783 11.610 ( -0.303 -4.623 -3.753) 5.962 11.832 ( -2.254 6.402 -4.659) 8.233 11.978 ( -0.608 -1.485 -1.730) 2.359 12.104 ( 6.594 2.390 4.431) 8.296 12.287 ( 2.158 -9.641 3.804) 10.587 12.505 ( 3.734 15.995 -0.286) 16.428 12.746 ( -3.208 -5.007 -1.213) 6.069 13.133 ( 2.952 -0.823 -2.678) 4.070 13.249 ( -3.428 -8.532 -2.335) 9.487 13.648 ( -1.490 5.929 4.307) 7.478 13.702 ( 2.922 -2.399 3.883) 5.419 13.972 ( 0.611 -1.570 -0.105) 1.688 14.064 ( -6.694 -9.035 5.276) 12.421 14.556 ( -0.001 3.362 0.566) 3.409 14.656 ( -0.253 -6.888 -1.766) 7.116 16.005 ( -3.136 19.289 -0.938) 19.565 16.342 ( -1.972 -14.704 -0.830) 14.859 17.365 ( 4.640 5.769 -3.085) 8.021 17.458 ( 4.407 -3.055 -2.762) 6.032 17.984 ( -3.799 31.447 -2.690) 31.789 18.404 ( 1.630 -4.866 1.518) 5.352 18.641 ( 0.385 2.485 -0.581) 2.580 18.732 ( 1.117 -0.349 -0.126) 1.177 19.544 ( 14.153 21.644 0.734) 25.870 20.013 ( 1.708 -21.501 0.149) 21.569 20.537 ( -6.450 7.459 4.157) 10.702 20.750 ( 0.160 -13.855 4.767) 14.653 23.926 ( -19.662 40.662 -30.674) 54.598 24.582 ( -12.841 -27.267 -20.237) 36.303 25.493 ( 24.448 2.933 17.452) 30.180 25.584 ( 13.714 -5.642 11.846) 18.980 28.070 ( -2.618 7.774 2.647) 8.619 28.255 ( -0.563 -10.197 2.614) 10.541 ======================= Grid point 217 (105/128) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -0.000 0.000 0.000) 0.000 1.147 ( 0.000 0.000 0.000) 0.000 1.349 ( -0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 2.081 ( -0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.515 ( -0.000 0.000 -0.000) 0.000 2.604 ( -0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.752 ( -0.000 0.000 0.000) 0.000 3.243 ( -0.000 0.000 0.000) 0.000 3.276 ( -0.000 0.000 0.000) 0.000 3.661 ( -0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.897 ( -0.000 0.000 0.000) 0.000 4.288 ( -0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.863 ( -0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.237 ( -0.000 0.000 0.000) 0.000 5.747 ( -0.000 0.000 0.000) 0.000 5.831 ( -0.000 0.000 0.000) 0.000 6.562 ( -0.000 0.000 0.000) 0.000 6.575 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 6.982 ( -0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.734 ( -0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.283 ( -0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 0.000) 0.000 8.712 ( -0.000 0.000 -0.000) 0.000 9.042 ( -0.000 0.000 0.000) 0.000 9.323 ( -0.000 0.000 0.000) 0.000 9.383 ( -0.000 0.000 0.000) 0.000 9.697 ( 0.000 0.000 0.000) 0.000 10.344 ( -0.000 0.000 -0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 10.757 ( 0.000 0.000 0.000) 0.000 10.806 ( 0.000 0.000 0.000) 0.000 10.843 ( -0.000 0.000 -0.000) 0.000 11.041 ( -0.000 0.000 0.000) 0.000 11.145 ( -0.000 0.000 0.000) 0.000 11.321 ( -0.000 0.000 0.000) 0.000 11.655 ( -0.000 0.000 0.000) 0.000 11.933 ( -0.000 0.000 0.000) 0.000 11.937 ( 0.000 0.000 0.000) 0.000 12.207 ( -0.000 0.000 0.000) 0.000 12.728 ( -0.000 0.000 0.000) 0.000 12.825 ( -0.000 0.000 0.000) 0.000 13.057 ( -0.000 0.000 0.000) 0.000 13.187 ( 0.000 0.000 0.000) 0.000 13.923 ( 0.000 0.000 0.000) 0.000 14.296 ( -0.000 0.000 0.000) 0.000 14.355 ( 0.000 0.000 -0.000) 0.000 14.555 ( 0.000 0.000 0.000) 0.000 14.557 ( -0.000 0.000 0.000) 0.000 14.612 ( -0.000 0.000 0.000) 0.000 15.103 ( -0.000 0.000 0.000) 0.000 15.959 ( 0.000 0.000 0.000) 0.000 16.371 ( -0.000 0.000 0.000) 0.000 17.465 ( -0.000 0.000 0.000) 0.000 17.703 ( 0.000 0.000 0.000) 0.000 18.020 ( 0.000 0.000 0.000) 0.000 18.279 ( -0.000 0.000 0.000) 0.000 18.826 ( 0.000 0.000 0.000) 0.000 19.362 ( -0.000 0.000 0.000) 0.000 19.608 ( 0.000 0.000 0.000) 0.000 20.516 ( 0.000 0.000 0.000) 0.000 20.894 ( -0.000 0.000 0.000) 0.000 21.360 ( -0.000 0.000 0.000) 0.000 25.191 ( 0.000 0.000 0.000) 0.000 25.759 ( 0.000 0.000 0.000) 0.000 26.973 ( 0.000 0.000 0.000) 0.000 27.832 ( -0.000 0.000 0.000) 0.000 28.578 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 219 (106/128) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -0.316 0.000 -1.321) 1.358 1.156 ( -16.714 0.000 4.760) 17.379 1.185 ( 3.839 0.000 -0.133) 3.841 1.780 ( 0.302 0.000 -2.366) 2.385 2.080 ( -15.397 0.000 -0.828) 15.419 2.093 ( 1.205 0.000 1.588) 1.993 2.610 ( 6.268 0.000 -6.328) 8.907 2.656 ( 4.820 0.000 4.888) 6.865 2.768 ( 2.677 0.000 -12.984) 13.257 2.813 ( 15.641 0.000 0.640) 15.654 3.253 ( 1.255 0.000 -2.265) 2.590 3.311 ( -2.110 0.000 -8.429) 8.689 3.644 ( 3.553 0.000 7.526) 8.322 3.766 ( -2.339 0.000 -2.254) 3.248 3.768 ( -15.404 0.000 3.317) 15.757 4.255 ( -10.222 0.000 -4.844) 11.312 4.359 ( 6.402 0.000 6.424) 9.069 4.641 ( -6.482 0.000 -2.177) 6.838 4.989 ( 2.184 0.000 1.945) 2.924 5.086 ( 15.811 0.000 9.019) 18.203 5.317 ( 7.760 0.000 -5.717) 9.638 5.819 ( 2.404 0.000 -3.530) 4.270 5.895 ( 8.709 0.000 4.598) 9.848 6.508 ( -4.816 0.000 -1.517) 5.049 6.547 ( -2.873 0.000 1.478) 3.231 6.891 ( -5.621 0.000 -0.648) 5.659 6.977 ( 8.376 0.000 4.972) 9.740 7.077 ( 0.240 0.000 -0.374) 0.444 7.775 ( 4.302 0.000 -9.358) 10.300 7.807 ( -11.396 0.000 4.884) 12.399 7.994 ( -2.360 0.000 4.683) 5.244 8.301 ( 0.954 0.000 2.731) 2.893 8.626 ( -5.091 0.000 -3.243) 6.036 8.673 ( -1.894 0.000 0.237) 1.908 9.022 ( 1.661 0.000 -0.399) 1.708 9.339 ( -5.410 0.000 2.928) 6.152 9.409 ( 3.035 0.000 -0.939) 3.177 9.613 ( -6.470 0.000 -0.389) 6.482 10.145 ( -7.998 0.000 -15.013) 17.011 10.530 ( -2.084 0.000 5.473) 5.856 10.705 ( -1.249 0.000 -20.262) 20.301 10.763 ( 4.624 0.000 4.115) 6.190 10.971 ( 5.861 0.000 10.804) 12.291 10.993 ( -4.117 0.000 2.783) 4.969 11.201 ( 7.424 0.000 4.103) 8.482 11.461 ( 8.884 0.000 3.146) 9.424 11.634 ( -2.460 0.000 5.741) 6.246 11.781 ( -8.978 0.000 -0.915) 9.025 11.995 ( 0.246 0.000 -3.016) 3.026 12.153 ( -3.148 0.000 -1.065) 3.324 12.584 ( -5.880 0.000 -1.607) 6.095 12.886 ( -11.545 0.000 5.860) 12.947 13.134 ( 19.249 0.000 3.648) 19.592 13.345 ( 9.926 0.000 -2.782) 10.309 13.780 ( -12.185 0.000 -2.065) 12.359 14.224 ( -6.929 0.000 1.449) 7.079 14.353 ( -0.543 0.000 -0.658) 0.853 14.553 ( 0.606 0.000 9.880) 9.898 14.666 ( 5.139 0.000 -8.658) 10.069 14.705 ( 10.752 0.000 -4.414) 11.622 15.107 ( 2.128 0.000 1.128) 2.409 15.738 ( -22.209 0.000 15.452) 27.056 16.432 ( 5.809 0.000 -4.727) 7.489 17.420 ( -28.282 0.000 11.729) 30.618 17.486 ( 2.475 0.000 -4.660) 5.276 17.708 ( 0.518 0.000 -0.048) 0.520 18.227 ( -5.201 0.000 -0.863) 5.272 18.802 ( -2.607 0.000 4.341) 5.064 19.454 ( -6.014 0.000 2.460) 6.498 20.292 ( 37.373 0.000 4.899) 37.693 20.558 ( 4.011 0.000 0.174) 4.015 21.112 ( 34.332 0.000 4.990) 34.692 21.321 ( -3.735 0.000 -0.765) 3.813 25.215 ( 2.268 0.000 3.557) 4.218 25.759 ( 0.196 0.000 -1.360) 1.374 26.252 ( -53.098 0.000 -23.630) 58.118 28.152 ( 16.534 0.000 -5.976) 17.581 28.568 ( -1.034 0.000 -0.879) 1.358 ======================= Grid point 220 (107/128) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -7.737 0.000 2.489) 8.128 0.991 ( -0.656 0.000 0.226) 0.694 1.288 ( 6.410 0.000 -0.298) 6.417 1.748 ( -3.041 0.000 -5.146) 5.978 1.757 ( -14.590 0.000 -5.687) 15.660 2.137 ( 2.923 0.000 2.343) 3.746 2.723 ( 5.863 0.000 0.765) 5.913 2.725 ( 0.036 0.000 11.301) 11.301 2.891 ( 11.624 0.000 -16.421) 20.119 3.079 ( -8.551 0.000 -5.901) 10.389 3.216 ( 12.987 0.000 0.125) 12.987 3.255 ( -12.470 0.000 -12.382) 17.574 3.377 ( -9.791 0.000 8.667) 13.076 3.658 ( -4.635 0.000 6.196) 7.738 3.855 ( 9.145 0.000 -6.774) 11.381 4.137 ( -3.312 0.000 -3.618) 4.905 4.526 ( 7.348 0.000 4.906) 8.835 4.571 ( 3.700 0.000 -2.255) 4.333 5.005 ( -1.342 0.000 4.350) 4.552 5.408 ( 15.624 0.000 5.046) 16.418 5.495 ( 10.877 0.000 -4.390) 11.729 5.835 ( 0.200 0.000 -1.788) 1.799 6.061 ( 5.140 0.000 4.931) 7.122 6.411 ( -3.732 0.000 -1.384) 3.980 6.470 ( -4.943 0.000 3.013) 5.789 6.775 ( -6.718 0.000 -1.995) 7.008 6.983 ( -10.021 0.000 1.289) 10.104 7.175 ( 10.289 0.000 5.727) 11.776 7.635 ( -4.358 0.000 6.916) 8.175 7.804 ( -3.617 0.000 -3.726) 5.192 8.028 ( 8.721 0.000 -1.986) 8.945 8.296 ( -2.909 0.000 2.039) 3.553 8.475 ( -6.386 0.000 -4.075) 7.575 8.674 ( 0.512 0.000 -1.330) 1.425 9.121 ( 7.182 0.000 3.058) 7.806 9.165 ( -11.714 0.000 3.569) 12.245 9.336 ( -7.799 0.000 -9.024) 11.927 9.516 ( -3.563 0.000 0.550) 3.605 10.087 ( 1.227 0.000 -6.190) 6.310 10.454 ( -1.419 0.000 6.208) 6.368 10.675 ( -0.390 0.000 -20.525) 20.529 10.833 ( -5.385 0.000 3.610) 6.483 11.027 ( 11.215 0.000 -0.116) 11.215 11.030 ( 1.387 0.000 5.317) 5.495 11.421 ( 11.609 0.000 7.526) 13.835 11.536 ( -2.969 0.000 2.068) 3.618 11.574 ( -3.983 0.000 9.164) 9.993 11.640 ( -4.095 0.000 -1.340) 4.309 11.937 ( -4.687 0.000 -5.891) 7.528 12.156 ( 3.117 0.000 4.655) 5.603 12.488 ( -4.263 0.000 -1.798) 4.626 12.662 ( -11.882 0.000 4.264) 12.624 13.451 ( 6.083 0.000 -2.690) 6.651 13.519 ( 7.982 0.000 0.750) 8.017 13.519 ( -7.680 0.000 2.851) 8.192 14.043 ( -11.233 0.000 0.223) 11.235 14.330 ( -1.719 0.000 0.499) 1.790 14.615 ( 4.409 0.000 6.984) 8.259 14.798 ( -0.477 0.000 -3.638) 3.669 14.805 ( 10.769 0.000 -6.483) 12.570 15.251 ( 6.862 0.000 4.772) 8.358 15.322 ( -13.512 0.000 16.127) 21.039 16.545 ( 4.949 0.000 -5.032) 7.058 17.219 ( 3.408 0.000 3.529) 4.906 17.562 ( 6.082 0.000 -9.457) 11.244 17.723 ( 1.180 0.000 -0.460) 1.266 18.088 ( -8.409 0.000 -2.081) 8.663 18.736 ( -4.653 0.000 8.259) 9.479 19.279 ( -11.681 0.000 3.345) 12.150 20.485 ( -4.506 0.000 5.358) 7.002 20.647 ( 4.334 0.000 0.037) 4.334 21.230 ( -5.014 0.000 -0.970) 5.107 22.141 ( 52.800 0.000 17.005) 55.471 25.236 ( -44.441 0.000 -31.413) 54.422 25.282 ( 4.060 0.000 5.811) 7.089 25.767 ( 0.905 0.000 -2.295) 2.467 28.300 ( 0.091 0.000 -9.055) 9.056 28.535 ( -2.270 0.000 -1.398) 2.666 ======================= Grid point 221 (108/128) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 15.133 0.000 -4.920) 15.912 0.966 ( -2.172 0.000 2.336) 3.190 1.390 ( 2.437 0.000 1.014) 2.640 1.598 ( 0.134 0.000 -4.691) 4.693 1.714 ( 1.895 0.000 -5.171) 5.508 2.190 ( 1.860 0.000 1.703) 2.522 2.691 ( -3.869 0.000 4.043) 5.596 2.755 ( -26.099 0.000 -0.062) 26.099 2.783 ( -15.860 0.000 -0.015) 15.860 2.823 ( 2.216 0.000 3.012) 3.739 3.139 ( 13.296 0.000 1.833) 13.421 3.388 ( -0.506 0.000 -3.183) 3.223 3.479 ( 9.468 0.000 -12.610) 15.768 3.714 ( 10.136 0.000 6.085) 11.822 3.909 ( -0.823 0.000 -3.997) 4.081 4.075 ( -3.127 0.000 -3.183) 4.462 4.558 ( 0.985 0.000 -6.360) 6.436 4.851 ( 13.412 0.000 6.300) 14.818 4.946 ( -1.196 0.000 0.610) 1.342 5.624 ( 8.025 0.000 -6.277) 10.189 5.756 ( 12.909 0.000 5.489) 14.027 5.838 ( 0.553 0.000 -1.605) 1.698 6.054 ( -5.233 0.000 7.080) 8.804 6.386 ( -2.682 0.000 3.228) 4.197 6.402 ( 2.305 0.000 -0.693) 2.407 6.587 ( -12.753 0.000 -4.418) 13.496 6.783 ( -8.265 0.000 6.156) 10.306 7.348 ( 6.240 0.000 -0.151) 6.242 7.657 ( 4.758 0.000 4.297) 6.411 7.681 ( -7.065 0.000 6.195) 9.397 8.179 ( -7.353 0.000 -2.603) 7.800 8.265 ( 13.351 0.000 -6.346) 14.782 8.428 ( 0.279 0.000 -0.356) 0.453 8.656 ( -2.520 0.000 -0.510) 2.571 8.953 ( -8.690 0.000 2.554) 9.058 9.210 ( -2.468 0.000 -14.226) 14.439 9.263 ( 6.003 0.000 4.249) 7.355 9.444 ( -4.624 0.000 1.990) 5.034 10.114 ( 1.726 0.000 2.502) 3.039 10.504 ( 3.675 0.000 1.622) 4.018 10.645 ( -1.071 0.000 -17.375) 17.408 10.706 ( -5.584 0.000 7.427) 9.292 11.080 ( 3.580 0.000 6.275) 7.224 11.201 ( 2.169 0.000 0.822) 2.320 11.473 ( 0.780 0.000 -2.402) 2.526 11.478 ( -4.205 0.000 8.312) 9.315 11.562 ( -4.639 0.000 -1.304) 4.819 11.619 ( 5.143 0.000 4.221) 6.654 11.849 ( -2.967 0.000 -6.406) 7.060 12.242 ( 4.069 0.000 7.550) 8.576 12.418 ( -2.246 0.000 -3.238) 3.940 12.446 ( -10.052 0.000 2.976) 10.483 13.211 ( -13.389 0.000 -1.521) 13.475 13.652 ( 3.739 0.000 1.538) 4.043 13.655 ( 5.878 0.000 2.510) 6.391 13.831 ( -8.458 0.000 -1.351) 8.565 14.297 ( -1.590 0.000 0.953) 1.854 14.701 ( 3.545 0.000 2.039) 4.090 14.766 ( -1.522 0.000 0.203) 1.536 15.092 ( -6.698 0.000 17.108) 18.373 15.098 ( 19.507 0.000 -3.050) 19.744 15.451 ( 6.374 0.000 -4.562) 7.839 16.572 ( -2.553 0.000 -1.890) 3.176 17.446 ( 17.940 0.000 -1.317) 17.988 17.678 ( 4.576 0.000 -6.055) 7.590 17.763 ( 2.741 0.000 -3.034) 4.088 17.938 ( -3.780 0.000 -8.468) 9.273 18.634 ( -6.859 0.000 11.798) 13.647 19.017 ( -15.544 0.000 5.144) 16.373 20.330 ( -10.060 0.000 2.466) 10.358 20.697 ( 0.421 0.000 -0.564) 0.704 21.153 ( -2.219 0.000 -0.360) 2.248 22.922 ( 24.327 0.000 13.604) 27.873 24.597 ( -17.152 0.000 -20.946) 27.072 25.371 ( 4.151 0.000 5.858) 7.180 25.794 ( 2.089 0.000 -2.391) 3.175 28.195 ( -8.505 0.000 -8.233) 11.837 28.480 ( -3.103 0.000 -1.371) 3.393 ======================= Grid point 222 (109/128) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -3.330 0.000 3.350) 4.724 1.283 ( 14.214 0.000 -5.272) 15.160 1.386 ( -1.443 0.000 0.700) 1.604 1.756 ( 15.068 0.000 -2.287) 15.241 1.801 ( 4.890 0.000 -1.946) 5.263 2.197 ( -1.449 0.000 0.886) 1.698 2.352 ( -13.010 0.000 -1.217) 13.067 2.451 ( -17.603 0.000 1.421) 17.660 2.605 ( -4.535 0.000 2.050) 4.977 2.834 ( -1.700 0.000 2.944) 3.400 3.376 ( 1.562 0.000 0.564) 1.661 3.390 ( 11.148 0.000 13.223) 17.295 3.626 ( 5.362 0.000 -18.918) 19.664 3.701 ( -8.059 0.000 -4.894) 9.428 4.014 ( -2.493 0.000 -1.884) 3.124 4.066 ( 12.622 0.000 4.091) 13.268 4.553 ( -0.829 0.000 -4.249) 4.329 4.774 ( -8.240 0.000 5.961) 10.170 5.194 ( 12.378 0.000 -4.031) 13.018 5.749 ( 5.546 0.000 -5.349) 7.705 5.836 ( -2.653 0.000 -0.356) 2.677 5.890 ( 0.095 0.000 5.506) 5.507 5.984 ( 1.382 0.000 6.270) 6.420 6.330 ( -11.874 0.000 -3.387) 12.348 6.431 ( 6.699 0.000 1.219) 6.809 6.457 ( 2.278 0.000 -0.061) 2.279 6.674 ( -3.990 0.000 3.718) 5.453 7.356 ( -4.971 0.000 -2.901) 5.756 7.629 ( 1.577 0.000 6.080) 6.281 7.772 ( 5.708 0.000 3.052) 6.472 8.048 ( -5.491 0.000 -3.005) 6.259 8.422 ( 1.494 0.000 -1.843) 2.373 8.444 ( 1.001 0.000 0.205) 1.022 8.593 ( -3.135 0.000 -0.686) 3.209 8.921 ( 6.644 0.000 -1.197) 6.751 9.201 ( 1.651 0.000 -9.272) 9.418 9.325 ( -8.118 0.000 2.673) 8.547 9.350 ( 2.565 0.000 1.658) 3.054 10.175 ( 4.147 0.000 8.024) 9.032 10.453 ( -7.195 0.000 -5.681) 9.167 10.610 ( -1.116 0.000 -9.790) 9.853 10.752 ( 7.752 0.000 9.167) 12.006 11.111 ( -8.305 0.000 -0.285) 8.310 11.172 ( 4.539 0.000 7.029) 8.367 11.422 ( -1.260 0.000 2.722) 3.000 11.471 ( -3.098 0.000 -0.784) 3.196 11.543 ( 2.259 0.000 -1.465) 2.693 11.638 ( -2.957 0.000 0.202) 2.964 11.839 ( 2.403 0.000 -5.483) 5.986 12.290 ( 0.305 0.000 2.972) 2.988 12.303 ( -4.613 0.000 2.316) 5.161 12.422 ( 2.611 0.000 0.052) 2.612 12.987 ( -9.344 0.000 -0.729) 9.372 13.588 ( -5.989 0.000 -0.607) 6.019 13.747 ( 3.255 0.000 1.920) 3.779 13.793 ( 1.265 0.000 -0.441) 1.340 14.273 ( -0.860 0.000 0.631) 1.066 14.747 ( -0.612 0.000 1.227) 1.371 14.753 ( 1.734 0.000 0.344) 1.768 15.032 ( -1.526 0.000 9.010) 9.138 15.511 ( 21.462 0.000 -2.170) 21.572 15.514 ( 1.263 0.000 -3.499) 3.720 16.437 ( -10.721 0.000 0.669) 10.741 17.712 ( -1.949 0.000 0.320) 1.975 17.724 ( -1.698 0.000 -0.272) 1.720 17.851 ( 22.726 0.000 -4.261) 23.122 18.048 ( 12.167 0.000 -19.318) 22.830 18.487 ( -9.445 0.000 15.002) 17.728 18.685 ( -19.097 0.000 6.132) 20.057 20.152 ( -7.369 0.000 0.344) 7.377 20.674 ( -1.912 0.000 -0.698) 2.036 21.140 ( 0.335 0.000 0.123) 0.357 23.140 ( 1.525 0.000 1.538) 2.166 24.498 ( 3.603 0.000 -3.558) 5.064 25.440 ( 2.281 0.000 3.524) 4.198 25.839 ( 2.276 0.000 -1.407) 2.676 28.017 ( -7.768 0.000 -5.136) 9.313 28.422 ( -2.412 0.000 -0.836) 2.553 ======================= Grid point 223 (110/128) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -0.000 0.000 0.000) 0.000 1.370 ( -0.000 0.000 0.000) 0.000 1.427 ( -0.000 0.000 0.000) 0.000 1.841 ( -0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 -0.000) 0.000 2.106 ( -0.000 0.000 0.000) 0.000 2.176 ( -0.000 0.000 0.000) 0.000 2.244 ( -0.000 0.000 0.000) 0.000 2.555 ( -0.000 0.000 -0.000) 0.000 2.809 ( -0.000 0.000 0.000) 0.000 3.421 ( -0.000 0.000 0.000) 0.000 3.540 ( -0.000 0.000 -0.000) 0.000 3.582 ( -0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.990 ( -0.000 0.000 0.000) 0.000 4.220 ( -0.000 0.000 0.000) 0.000 4.538 ( -0.000 0.000 0.000) 0.000 4.672 ( -0.000 0.000 0.000) 0.000 5.317 ( -0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 -0.000) 0.000 5.831 ( 0.000 0.000 -0.000) 0.000 5.847 ( -0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 6.136 ( -0.000 0.000 0.000) 0.000 6.482 ( -0.000 0.000 0.000) 0.000 6.526 ( -0.000 0.000 0.000) 0.000 6.634 ( -0.000 0.000 -0.000) 0.000 7.279 ( -0.000 0.000 0.000) 0.000 7.662 ( -0.000 0.000 0.000) 0.000 7.844 ( -0.000 0.000 0.000) 0.000 7.981 ( -0.000 0.000 0.000) 0.000 8.409 ( -0.000 0.000 0.000) 0.000 8.457 ( -0.000 0.000 0.000) 0.000 8.558 ( -0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 -0.000) 0.000 9.163 ( -0.000 0.000 0.000) 0.000 9.220 ( -0.000 0.000 -0.000) 0.000 9.373 ( -0.000 0.000 0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.331 ( -0.000 0.000 0.000) 0.000 10.593 ( -0.000 0.000 0.000) 0.000 10.915 ( -0.000 0.000 -0.000) 0.000 10.948 ( 0.000 0.000 0.000) 0.000 11.225 ( 0.000 0.000 -0.000) 0.000 11.431 ( -0.000 0.000 0.000) 0.000 11.439 ( -0.000 0.000 0.000) 0.000 11.557 ( -0.000 0.000 0.000) 0.000 11.577 ( 0.000 0.000 0.000) 0.000 11.875 ( -0.000 0.000 0.000) 0.000 12.262 ( -0.000 0.000 0.000) 0.000 12.290 ( -0.000 0.000 0.000) 0.000 12.462 ( -0.000 0.000 0.000) 0.000 12.882 ( -0.000 0.000 0.000) 0.000 13.524 ( -0.000 0.000 0.000) 0.000 13.780 ( -0.000 0.000 0.000) 0.000 13.806 ( -0.000 0.000 0.000) 0.000 14.265 ( -0.000 0.000 0.000) 0.000 14.742 ( -0.000 0.000 -0.000) 0.000 14.770 ( -0.000 0.000 0.000) 0.000 15.024 ( -0.000 0.000 0.000) 0.000 15.521 ( -0.000 0.000 0.000) 0.000 15.789 ( -0.000 0.000 0.000) 0.000 16.267 ( -0.000 0.000 0.000) 0.000 17.670 ( -0.000 0.000 0.000) 0.000 17.726 ( -0.000 0.000 -0.000) 0.000 18.239 ( -0.000 0.000 0.000) 0.000 18.264 ( -0.000 0.000 0.000) 0.000 18.312 ( 0.000 0.000 -0.000) 0.000 18.327 ( -0.000 0.000 0.000) 0.000 20.076 ( -0.000 0.000 -0.000) 0.000 20.651 ( -0.000 0.000 0.000) 0.000 21.146 ( -0.000 0.000 0.000) 0.000 23.136 ( -0.000 0.000 0.000) 0.000 24.555 ( -0.000 0.000 0.000) 0.000 25.463 ( -0.000 0.000 0.000) 0.000 25.863 ( -0.000 0.000 -0.000) 0.000 27.932 ( -0.000 0.000 0.000) 0.000 28.396 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 229 (111/128) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.000 4.955 0.000) 4.955 1.570 ( 0.000 31.105 0.000) 31.105 1.606 ( 0.000 25.564 -0.000) 25.564 1.854 ( 0.000 11.361 0.000) 11.361 2.250 ( 0.000 10.425 0.000) 10.425 2.286 ( 0.000 19.188 0.000) 19.188 2.581 ( -0.000 3.732 -0.000) 3.732 2.613 ( 0.000 -3.143 0.000) 3.143 2.812 ( -0.000 2.532 0.000) 2.532 2.874 ( 0.000 27.762 -0.000) 27.762 3.157 ( -0.000 -5.433 0.000) 5.433 3.363 ( 0.000 6.589 0.000) 6.589 3.674 ( 0.000 3.005 0.000) 3.005 3.805 ( -0.000 2.635 0.000) 2.635 3.974 ( -0.000 4.081 0.000) 4.081 4.320 ( -0.000 3.039 0.000) 3.039 4.577 ( -0.000 10.582 0.000) 10.582 4.746 ( 0.000 1.070 0.000) 1.070 4.900 ( 0.000 2.998 0.000) 2.998 4.925 ( -0.000 -2.049 -0.000) 2.049 5.358 ( -0.000 12.326 0.000) 12.326 5.741 ( 0.000 -0.516 0.000) 0.516 5.761 ( -0.000 -7.390 -0.000) 7.390 6.398 ( 0.000 -12.536 0.000) 12.536 6.581 ( -0.000 0.479 0.000) 0.479 6.661 ( -0.000 -8.654 0.000) 8.654 7.008 ( -0.000 2.811 0.000) 2.811 7.151 ( 0.000 -2.540 0.000) 2.540 7.585 ( -0.000 -10.067 0.000) 10.067 7.840 ( 0.000 1.885 0.000) 1.885 8.287 ( 0.000 4.859 0.000) 4.859 8.398 ( 0.000 0.646 -0.000) 0.646 8.649 ( -0.000 4.227 0.000) 4.227 8.757 ( -0.000 6.405 -0.000) 6.405 8.967 ( 0.000 0.956 0.000) 0.956 9.344 ( -0.000 2.983 0.000) 2.983 9.480 ( -0.000 4.398 -0.000) 4.398 9.660 ( -0.000 -3.800 0.000) 3.800 10.278 ( 0.000 -6.018 0.000) 6.018 10.326 ( -0.000 -8.176 -0.000) 8.176 10.686 ( 0.000 -2.880 0.000) 2.880 10.916 ( 0.000 5.303 0.000) 5.303 10.991 ( 0.000 -2.842 0.000) 2.842 11.005 ( -0.000 13.437 -0.000) 13.437 11.105 ( -0.000 -0.730 -0.000) 0.730 11.418 ( -0.000 6.481 0.000) 6.481 11.637 ( -0.000 -0.397 0.000) 0.397 11.909 ( 0.000 -1.668 0.000) 1.668 12.058 ( -0.000 11.127 0.000) 11.127 12.204 ( -0.000 0.707 -0.000) 0.707 12.650 ( 0.000 -7.593 0.000) 7.593 12.700 ( -0.000 -8.950 0.000) 8.950 13.199 ( -0.000 10.954 0.000) 10.954 13.238 ( 0.000 4.226 0.000) 4.226 13.738 ( -0.000 -15.177 0.000) 15.177 14.245 ( -0.000 -5.064 0.000) 5.064 14.247 ( 0.000 -11.505 -0.000) 11.505 14.483 ( 0.000 -8.969 0.000) 8.969 14.610 ( 0.000 -0.701 0.000) 0.701 14.710 ( -0.000 4.461 0.000) 4.461 15.213 ( 0.000 12.695 0.000) 12.695 15.951 ( -0.000 20.413 0.000) 20.413 16.683 ( -0.000 17.029 0.000) 17.029 17.424 ( -0.000 -4.913 0.000) 4.913 17.653 ( 0.000 -3.864 0.000) 3.864 18.182 ( 0.000 0.116 0.000) 0.116 18.203 ( -0.000 16.094 0.000) 16.094 18.811 ( 0.000 -1.811 0.000) 1.811 19.592 ( 0.000 -1.060 0.000) 1.060 19.698 ( -0.000 20.746 0.000) 20.746 20.486 ( 0.000 -2.740 0.000) 2.740 21.263 ( -0.000 39.141 0.000) 39.141 21.303 ( -0.000 -6.003 0.000) 6.003 25.085 ( 0.000 -11.075 0.000) 11.075 25.763 ( -0.000 0.462 0.000) 0.462 26.766 ( 0.000 -19.116 0.000) 19.116 27.837 ( -0.000 0.928 0.000) 0.928 28.557 ( -0.000 -2.509 0.000) 2.509 ======================= Grid point 231 (112/128) ======================= q-point: ( 0.10 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -14.599 4.616 3.264) 15.656 1.540 ( -1.270 26.399 -2.336) 26.532 1.648 ( 2.124 29.798 4.118) 30.156 1.847 ( -0.528 13.120 -6.088) 14.474 2.131 ( -12.457 8.243 0.985) 14.970 2.322 ( 4.957 23.494 -0.556) 24.018 2.662 ( 6.281 3.134 -5.836) 9.129 2.713 ( 7.503 2.188 11.480) 13.888 2.801 ( 0.439 3.721 -13.434) 13.947 2.920 ( 6.431 13.860 -8.343) 17.409 3.186 ( 3.040 -2.558 0.633) 4.024 3.384 ( -2.777 6.705 -6.496) 9.740 3.678 ( 4.875 4.138 5.660) 8.540 3.697 ( -12.648 -0.757 4.056) 13.304 3.898 ( -5.540 6.943 -4.131) 9.796 4.295 ( -3.872 4.066 -2.610) 6.192 4.498 ( -0.236 9.231 4.720) 10.370 4.666 ( -5.639 3.089 -1.760) 6.666 4.969 ( 2.417 -1.783 1.909) 3.559 5.125 ( 16.528 1.569 5.726) 17.562 5.425 ( 6.348 12.062 -1.298) 13.692 5.769 ( 2.178 -4.976 -2.230) 5.872 5.875 ( 9.918 -2.048 3.834) 10.829 6.382 ( -2.168 -11.142 -0.885) 11.385 6.555 ( -2.270 0.570 0.221) 2.351 6.660 ( -0.392 -10.784 4.250) 11.598 6.900 ( -6.912 0.027 -1.072) 6.995 7.277 ( 8.637 1.093 1.458) 8.827 7.597 ( 0.421 -7.866 -4.709) 9.177 7.824 ( 0.205 2.103 1.097) 2.381 8.254 ( -3.439 11.359 1.831) 12.009 8.388 ( -0.640 0.118 3.016) 3.086 8.654 ( -9.454 3.359 -4.292) 10.912 8.704 ( 4.800 4.985 -0.256) 6.925 8.943 ( -1.130 0.466 1.955) 2.306 9.336 ( -2.130 0.520 0.689) 2.298 9.462 ( -4.211 2.654 -0.381) 4.992 9.610 ( -4.092 -0.946 1.090) 4.339 10.096 ( -6.072 -4.850 -14.968) 16.865 10.535 ( 7.204 -1.566 5.761) 9.357 10.694 ( 1.232 -1.859 0.118) 2.233 10.833 ( -2.769 7.890 -12.388) 14.946 10.911 ( -4.200 -4.612 2.143) 6.595 11.002 ( 0.632 1.710 4.726) 5.065 11.238 ( 8.915 4.302 6.319) 11.744 11.528 ( 7.423 4.918 3.467) 9.555 11.607 ( -2.747 -1.037 2.735) 4.012 11.790 ( -8.728 0.949 -1.452) 8.899 12.100 ( -0.714 9.305 0.281) 9.337 12.139 ( -1.952 0.519 -1.614) 2.585 12.513 ( -5.555 -6.581 -1.583) 8.756 12.846 ( -1.540 -5.425 3.554) 6.666 13.161 ( 8.291 4.096 4.581) 10.320 13.405 ( 9.204 5.004 -1.190) 10.544 13.632 ( -9.650 -12.927 -0.706) 16.147 14.162 ( -7.456 -5.648 1.699) 9.507 14.245 ( -0.781 -11.822 -0.439) 11.856 14.538 ( 4.259 -8.149 4.088) 10.063 14.629 ( 1.316 -3.884 -7.048) 8.154 14.764 ( 5.591 3.084 3.794) 7.428 15.253 ( 4.655 13.044 0.206) 13.852 15.833 ( -11.990 27.443 5.847) 30.513 16.753 ( 6.289 20.465 -3.683) 21.724 17.281 ( -18.357 -8.668 8.219) 21.901 17.548 ( -1.940 2.918 0.090) 3.505 17.900 ( -5.591 17.791 -5.850) 19.545 18.249 ( -3.823 4.482 0.315) 5.899 18.787 ( -2.378 -1.546 4.188) 5.058 19.414 ( -7.995 -3.725 2.044) 9.054 20.305 ( 27.039 0.307 5.271) 27.550 20.524 ( 3.475 -2.938 0.877) 4.634 21.261 ( -3.837 -5.991 -0.479) 7.131 21.545 ( 32.440 40.625 7.779) 52.567 25.116 ( 2.892 -10.360 3.767) 11.397 25.748 ( -2.009 -1.062 -2.195) 3.159 26.168 ( -45.271 -7.925 -21.890) 50.906 28.093 ( 14.828 -4.753 -3.910) 16.055 28.549 ( -0.793 -2.248 -0.841) 2.528 ======================= Grid point 232 (113/128) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -6.100 7.477 0.859) 9.688 1.509 ( -3.088 15.351 -0.585) 15.669 1.635 ( -3.884 20.183 0.544) 20.561 1.848 ( 1.891 21.359 -8.888) 23.212 1.927 ( -5.042 27.142 0.707) 27.615 2.422 ( 4.691 23.755 1.294) 24.248 2.704 ( -1.901 -0.697 5.008) 5.402 2.822 ( 2.958 7.955 3.520) 9.189 2.905 ( 10.894 2.516 -15.882) 19.423 3.014 ( -2.813 -5.341 -3.146) 6.807 3.188 ( -14.858 -1.393 -8.862) 17.356 3.338 ( 9.181 10.271 -0.439) 13.783 3.412 ( -5.664 3.611 6.679) 9.472 3.734 ( -5.738 7.380 2.787) 9.755 3.915 ( 8.728 5.582 -7.369) 12.714 4.227 ( -2.176 7.216 -2.504) 7.942 4.536 ( 0.847 0.033 -1.965) 2.140 4.638 ( 6.156 6.547 2.997) 9.473 4.985 ( -1.413 -1.935 4.397) 5.007 5.441 ( 13.916 -3.499 1.644) 14.443 5.573 ( 8.325 10.473 0.794) 13.403 5.828 ( 4.351 1.391 -0.468) 4.592 6.051 ( 5.742 -1.413 4.903) 7.682 6.318 ( -2.822 -9.117 -1.477) 9.658 6.503 ( -3.203 2.862 2.632) 5.038 6.633 ( -3.681 -13.802 5.565) 15.330 6.781 ( -4.725 0.551 -1.884) 5.116 7.446 ( 7.767 -0.963 1.182) 7.915 7.570 ( -1.070 6.387 -3.451) 7.338 7.902 ( 6.034 -4.930 -0.720) 7.825 8.166 ( -5.123 22.969 2.503) 23.666 8.385 ( -1.411 1.527 2.537) 3.280 8.456 ( -7.087 -2.108 -3.081) 8.010 8.786 ( 2.568 11.990 -2.837) 12.585 8.968 ( 3.576 -9.117 5.340) 11.154 9.216 ( -10.517 4.169 1.898) 11.471 9.313 ( -7.816 -1.332 -7.740) 11.080 9.535 ( -3.322 0.048 0.427) 3.350 10.048 ( 0.362 -3.904 -6.465) 7.561 10.539 ( -0.718 7.341 6.862) 10.074 10.725 ( -1.343 -1.656 -6.763) 7.092 10.795 ( -4.292 1.998 -4.992) 6.880 10.962 ( 8.510 -3.989 -0.237) 9.402 11.043 ( 5.300 1.215 1.794) 5.726 11.410 ( 5.004 -2.365 4.929) 7.412 11.546 ( -1.145 0.645 2.834) 3.124 11.600 ( -3.350 4.883 0.192) 5.925 11.675 ( -0.444 3.450 4.049) 5.338 11.997 ( -5.498 3.749 -1.411) 6.803 12.192 ( 3.739 5.903 2.881) 7.558 12.417 ( -4.403 -6.517 -2.035) 8.124 12.695 ( -10.655 2.011 3.522) 11.400 13.357 ( -3.422 -8.849 -3.522) 10.120 13.457 ( 3.013 -4.282 4.183) 6.702 13.559 ( 6.085 1.858 2.476) 6.827 13.984 ( -10.073 -5.043 0.281) 11.268 14.218 ( -1.732 -11.338 0.833) 11.500 14.597 ( 0.662 -8.291 0.420) 8.328 14.706 ( 8.542 -4.615 2.800) 10.105 14.878 ( 4.732 -2.320 1.153) 5.395 15.377 ( 5.143 13.577 0.935) 14.548 15.601 ( -7.328 39.874 6.193) 41.012 16.802 ( -3.392 19.124 -1.561) 19.486 17.138 ( 7.760 -5.356 2.142) 9.669 17.606 ( 6.677 3.065 -8.338) 11.113 17.871 ( 0.702 15.008 -3.816) 15.502 18.125 ( -8.105 4.664 -0.776) 9.383 18.728 ( -4.286 -0.899 7.937) 9.065 19.232 ( -11.258 -4.751 2.951) 12.570 20.492 ( -3.251 0.343 4.988) 5.963 20.608 ( 4.752 -4.218 0.542) 6.377 21.162 ( -5.682 -6.877 -1.421) 9.033 22.389 ( 43.686 24.740 18.018) 53.340 25.165 ( -11.981 -6.860 -8.794) 16.369 25.267 ( -22.430 -1.455 -13.273) 26.104 25.761 ( -0.873 -1.068 -3.732) 3.979 28.239 ( 0.734 -5.386 -7.274) 9.080 28.523 ( -1.856 -1.596 -1.366) 2.804 ======================= Grid point 233 (114/128) ======================= q-point: ( 0.30 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 13.478 6.527 -5.081) 15.813 1.427 ( -3.541 6.447 1.454) 7.498 1.596 ( 1.773 12.340 0.236) 12.469 1.854 ( -0.329 47.237 -1.698) 47.268 1.973 ( 7.003 23.023 -4.899) 24.559 2.489 ( 1.687 24.054 1.086) 24.138 2.622 ( -9.278 -4.830 4.258) 11.294 2.730 ( -17.397 0.077 -3.190) 17.688 2.809 ( -8.703 1.784 -0.062) 8.885 2.927 ( -4.930 9.342 1.140) 10.624 3.130 ( 12.186 0.569 -0.880) 12.231 3.392 ( 1.970 2.277 0.635) 3.077 3.591 ( 5.252 10.635 -11.644) 16.622 3.701 ( 7.787 -0.886 6.377) 10.104 3.967 ( -2.207 5.503 -4.784) 7.618 4.200 ( -0.386 10.065 -2.403) 10.355 4.551 ( 1.173 -0.628 -6.113) 6.257 4.868 ( 8.484 1.538 6.487) 10.790 4.935 ( 2.256 -0.812 -1.091) 2.635 5.626 ( 5.908 -3.272 -4.379) 8.049 5.729 ( 7.272 -1.183 2.525) 7.788 5.905 ( 0.306 4.226 1.277) 4.425 6.085 ( -0.386 3.550 7.580) 8.378 6.326 ( 2.715 -7.267 -0.561) 7.778 6.437 ( -4.254 -1.313 8.330) 9.445 6.533 ( -4.512 -1.117 -1.566) 4.904 6.726 ( -0.777 3.156 -1.223) 3.473 7.477 ( -2.444 0.323 -1.189) 2.737 7.683 ( 10.415 12.705 -1.303) 16.479 7.910 ( -5.582 3.933 3.534) 7.689 8.101 ( -2.675 4.383 -3.748) 6.357 8.357 ( 2.340 9.959 0.298) 10.235 8.438 ( 1.316 -1.887 3.474) 4.167 8.807 ( 1.363 13.287 -2.886) 13.665 8.958 ( -9.037 1.634 5.323) 10.615 9.105 ( 3.047 -10.378 0.348) 10.821 9.194 ( -3.014 -0.550 -10.153) 10.605 9.477 ( -3.102 -0.083 -0.335) 3.122 10.062 ( 1.479 -4.921 1.804) 5.446 10.561 ( -2.751 2.776 -0.428) 3.931 10.656 ( 0.698 -2.424 10.100) 10.410 10.743 ( -1.257 8.129 -13.238) 15.585 11.063 ( 4.655 -1.013 2.835) 5.544 11.169 ( 1.547 -1.008 0.429) 1.896 11.408 ( -1.902 -6.151 1.335) 6.576 11.505 ( -1.076 3.164 0.261) 3.353 11.592 ( -1.091 2.612 1.170) 3.063 11.703 ( 2.681 7.910 2.724) 8.785 11.915 ( -2.602 5.606 -1.570) 6.377 12.260 ( 1.941 1.614 3.413) 4.245 12.353 ( -0.985 -4.448 -2.206) 5.062 12.492 ( -9.679 3.346 3.303) 10.761 13.141 ( -11.573 -6.922 -1.508) 13.569 13.598 ( -3.394 -6.672 1.671) 7.670 13.623 ( 7.190 -2.629 1.661) 7.834 13.837 ( -3.125 1.024 0.062) 3.289 14.192 ( -0.936 -10.115 1.498) 10.268 14.602 ( 0.105 -7.435 1.824) 7.656 14.873 ( 3.709 -8.643 6.553) 11.463 14.995 ( 10.881 -7.867 -1.500) 13.510 15.373 ( -1.642 41.508 4.889) 41.828 15.657 ( 8.157 21.715 -3.250) 23.423 16.705 ( -6.112 9.216 -0.009) 11.059 17.416 ( 17.757 0.454 -0.949) 17.788 17.770 ( 10.095 4.509 -10.819) 15.469 17.893 ( 1.298 15.431 -2.123) 15.631 17.967 ( -6.053 3.477 -5.352) 8.796 18.632 ( -6.579 -0.289 11.275) 13.057 18.983 ( -14.677 -3.600 4.468) 15.758 20.346 ( -10.062 1.373 2.368) 10.428 20.669 ( 0.966 -3.211 -0.352) 3.372 21.067 ( -3.219 -8.758 -0.607) 9.351 23.052 ( 20.723 13.829 13.602) 28.384 24.651 ( -15.097 5.827 -19.130) 25.056 25.315 ( 4.748 -6.069 6.480) 10.069 25.765 ( 1.399 -3.227 -3.149) 4.720 28.152 ( -7.545 -3.747 -7.163) 11.057 28.475 ( -2.839 -0.977 -1.386) 3.307 ======================= Grid point 234 (115/128) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 14.280 4.462 -3.069) 15.273 1.369 ( -2.783 8.747 2.585) 9.536 1.750 ( 11.313 18.117 1.412) 21.406 1.848 ( 1.556 37.876 -2.420) 37.985 2.106 ( 5.762 24.333 -3.749) 25.285 2.313 ( -15.040 2.251 -2.241) 15.372 2.468 ( -10.403 11.463 1.393) 15.542 2.488 ( -4.091 7.691 2.275) 9.003 2.713 ( -1.457 14.293 0.780) 14.388 2.845 ( -4.532 1.589 1.475) 5.024 3.345 ( 8.569 -2.217 3.354) 9.465 3.399 ( 0.271 3.066 5.343) 6.166 3.667 ( 3.221 5.048 -13.377) 14.656 3.763 ( -3.531 4.701 -2.818) 6.520 3.974 ( 3.285 -0.924 1.614) 3.775 4.241 ( 5.561 12.822 -0.493) 13.985 4.557 ( -0.066 0.251 -4.679) 4.686 4.776 ( -7.358 0.337 5.022) 8.915 5.183 ( 11.094 -1.291 -3.422) 11.681 5.709 ( 3.632 -3.824 -3.989) 6.613 5.823 ( -1.900 -1.251 -0.117) 2.278 5.874 ( 2.225 -1.829 3.406) 4.461 6.059 ( -1.902 5.631 6.695) 8.952 6.312 ( -6.925 -3.173 1.021) 7.685 6.384 ( 1.379 -5.638 1.495) 5.994 6.523 ( 1.028 -2.929 1.351) 3.386 6.775 ( 6.366 20.291 -1.806) 21.343 7.391 ( -6.373 3.388 -0.488) 7.234 7.812 ( -3.199 8.898 1.499) 9.574 7.888 ( 10.078 12.493 -1.706) 16.142 8.042 ( -2.251 -3.504 -2.324) 4.769 8.343 ( -4.544 1.743 3.048) 5.743 8.488 ( 2.061 10.673 2.542) 11.163 8.793 ( -6.099 6.643 0.643) 9.041 8.903 ( 8.045 1.876 -2.256) 8.563 9.154 ( -0.036 -8.967 3.441) 9.604 9.174 ( 1.434 -1.710 -8.848) 9.125 9.410 ( -3.459 -0.036 -0.885) 3.571 10.121 ( 4.281 -5.052 6.732) 9.443 10.420 ( -8.445 -3.417 -3.182) 9.649 10.706 ( -0.908 7.808 -6.476) 10.185 10.783 ( 7.357 2.239 7.810) 10.960 11.093 ( -6.335 -0.157 -1.815) 6.592 11.175 ( 5.976 1.193 2.360) 6.535 11.364 ( -2.357 -3.685 0.810) 4.449 11.515 ( -1.697 0.030 0.096) 1.700 11.552 ( -0.219 4.443 2.993) 5.361 11.726 ( -1.885 7.724 -1.334) 8.061 11.908 ( 2.362 6.587 -3.003) 7.615 12.262 ( -0.249 -3.400 -2.491) 4.222 12.344 ( -3.715 3.756 0.984) 5.374 12.396 ( 2.082 -0.856 4.808) 5.308 12.942 ( -8.422 -4.490 -0.602) 9.563 13.478 ( -6.107 -9.915 -0.396) 11.652 13.735 ( 4.055 -2.404 0.758) 4.774 13.828 ( 0.298 2.979 0.563) 3.046 14.182 ( -0.293 -8.655 1.148) 8.735 14.606 ( 0.060 -6.567 1.746) 6.796 14.899 ( 0.163 -10.149 4.578) 11.135 15.210 ( 8.342 -14.691 -2.334) 17.054 15.374 ( 0.797 50.020 2.666) 50.098 15.847 ( 12.002 19.457 -3.052) 23.064 16.546 ( -10.381 8.672 0.923) 13.558 17.714 ( 6.372 1.773 0.567) 6.638 17.829 ( 0.500 7.796 1.622) 7.978 17.962 ( 11.134 12.385 -5.736) 17.614 18.051 ( 12.177 0.372 -18.908) 22.493 18.489 ( -9.292 0.075 14.309) 17.062 18.671 ( -17.768 -1.412 5.515) 18.658 20.165 ( -7.496 1.327 0.382) 7.622 20.650 ( -1.969 -2.493 -0.767) 3.268 21.043 ( 0.120 -10.201 0.285) 10.206 23.234 ( 0.916 10.389 1.781) 10.580 24.569 ( 3.533 7.330 -3.166) 8.732 25.391 ( 2.398 -5.404 3.772) 7.013 25.803 ( 2.205 -3.924 -1.677) 4.803 27.991 ( -7.137 -2.149 -4.642) 8.781 28.420 ( -2.321 -0.686 -0.856) 2.567 ======================= Grid point 235 (116/128) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -0.000 10.658 0.000) 10.658 1.493 ( -0.000 5.957 0.000) 5.957 1.796 ( -0.000 43.950 0.000) 43.950 2.029 ( 0.000 7.148 -0.000) 7.148 2.105 ( -0.000 0.140 0.000) 0.140 2.163 ( -0.000 20.400 -0.000) 20.400 2.314 ( -0.000 16.788 0.000) 16.788 2.450 ( -0.000 10.752 0.000) 10.752 2.702 ( -0.000 18.243 0.000) 18.243 2.796 ( -0.000 -0.504 0.000) 0.504 3.403 ( -0.000 2.008 0.000) 2.008 3.441 ( -0.000 -6.017 -0.000) 6.017 3.668 ( -0.000 5.408 -0.000) 5.408 3.731 ( -0.000 7.797 0.000) 7.797 4.004 ( -0.000 -0.473 0.000) 0.473 4.334 ( -0.000 11.268 -0.000) 11.268 4.550 ( -0.000 0.797 0.000) 0.797 4.684 ( -0.000 1.172 0.000) 1.172 5.291 ( -0.000 -3.088 0.000) 3.088 5.741 ( 0.000 -3.615 -0.000) 3.615 5.808 ( 0.000 -1.588 -0.000) 1.588 5.869 ( -0.000 1.675 0.000) 1.675 6.104 ( 0.000 -2.598 0.000) 2.598 6.195 ( -0.000 5.755 0.000) 5.755 6.401 ( -0.000 -6.285 0.000) 6.285 6.529 ( -0.000 -8.565 -0.000) 8.565 6.875 ( -0.000 29.700 0.000) 29.700 7.298 ( -0.000 1.203 0.000) 1.203 7.785 ( -0.000 8.329 0.000) 8.329 8.018 ( -0.135 -2.122 -0.047) 2.127 8.018 ( 0.135 13.563 0.047) 13.564 8.266 ( -0.000 0.382 0.000) 0.382 8.506 ( -0.000 11.916 0.000) 11.916 8.732 ( -0.000 4.760 0.000) 4.760 9.034 ( 0.000 -11.838 -0.000) 11.838 9.115 ( -0.000 3.484 0.000) 3.484 9.196 ( -0.000 0.040 0.000) 0.040 9.368 ( -0.000 -2.034 0.000) 2.034 10.209 ( -0.000 -4.941 -0.000) 4.941 10.290 ( -0.000 -3.706 0.000) 3.706 10.693 ( -0.000 8.325 0.000) 8.325 10.900 ( -0.000 -4.226 0.000) 4.226 10.988 ( 0.000 6.067 0.000) 6.067 11.267 ( 0.000 3.490 -0.000) 3.490 11.328 ( -0.000 -2.173 0.000) 2.173 11.456 ( -0.000 -2.188 0.000) 2.188 11.611 ( -0.000 2.314 -0.000) 2.314 11.652 ( -0.000 8.476 0.000) 8.476 11.946 ( -0.000 6.756 0.000) 6.756 12.264 ( -0.000 -1.853 0.000) 1.853 12.307 ( -0.000 4.034 0.000) 4.034 12.431 ( -0.000 -2.417 0.000) 2.417 12.848 ( -0.000 -3.581 0.000) 3.581 13.413 ( -0.000 -10.226 0.000) 10.226 13.778 ( -0.000 -2.839 0.000) 2.839 13.829 ( -0.000 3.310 0.000) 3.310 14.180 ( -0.000 -8.050 0.000) 8.050 14.607 ( -0.000 -6.233 -0.000) 6.233 14.902 ( -0.000 -10.317 0.000) 10.317 15.285 ( -0.000 -15.975 0.000) 15.975 15.386 ( -0.000 51.807 0.000) 51.807 16.027 ( -0.000 17.591 0.000) 17.591 16.386 ( -0.000 9.993 0.000) 9.993 17.718 ( -0.000 4.959 0.000) 4.959 17.856 ( -0.000 11.842 0.000) 11.842 18.242 ( -0.000 0.576 -0.000) 0.576 18.251 ( -0.000 -0.893 0.000) 0.893 18.330 ( -0.000 -0.210 -0.000) 0.210 18.353 ( 0.000 4.572 0.000) 4.572 20.088 ( -0.000 1.248 -0.000) 1.248 20.626 ( -0.000 -2.576 0.000) 2.576 21.047 ( -0.000 -10.388 0.000) 10.388 23.226 ( -0.000 10.008 0.000) 10.008 24.624 ( -0.000 7.068 0.000) 7.068 25.415 ( -0.000 -5.384 0.000) 5.384 25.827 ( -0.000 -3.915 -0.000) 3.915 27.913 ( -0.000 -1.508 0.000) 1.508 28.396 ( -0.000 -0.619 0.000) 0.619 ======================= Grid point 241 (117/128) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -0.000 5.663 0.000) 5.663 1.701 ( 0.000 -1.966 0.000) 1.966 2.077 ( -0.000 8.311 -0.000) 8.311 2.128 ( 0.000 19.575 0.000) 19.575 2.312 ( 0.000 3.532 0.000) 3.532 2.594 ( 0.000 1.888 -0.000) 1.888 2.647 ( -0.000 3.159 0.000) 3.159 2.759 ( -0.000 -7.713 0.000) 7.713 3.123 ( 0.000 45.309 0.000) 45.309 3.130 ( -0.000 3.358 -0.000) 3.358 3.318 ( -0.000 9.398 0.000) 9.398 3.528 ( 0.000 10.908 0.000) 10.908 3.927 ( -0.000 11.230 0.000) 11.230 3.942 ( 0.000 12.774 -0.000) 12.774 4.079 ( -0.000 24.318 0.000) 24.318 4.370 ( -0.000 0.871 0.000) 0.871 4.732 ( -0.000 4.802 0.000) 4.802 4.778 ( 0.000 1.640 0.000) 1.640 4.878 ( -0.000 -2.979 -0.000) 2.979 4.954 ( 0.000 2.301 0.000) 2.301 5.496 ( 0.000 -14.155 0.000) 14.155 5.681 ( -0.000 12.220 0.000) 12.220 5.730 ( 0.000 -1.464 0.000) 1.464 6.187 ( 0.000 -11.682 0.000) 11.682 6.573 ( -0.000 1.439 -0.000) 1.439 6.595 ( -0.000 1.281 0.000) 1.281 7.009 ( -0.000 -8.901 0.000) 8.901 7.071 ( 0.000 2.289 0.000) 2.289 7.451 ( -0.000 -2.777 0.000) 2.777 7.865 ( 0.000 -3.907 0.000) 3.907 8.179 ( -0.000 -8.222 0.000) 8.222 8.243 ( 0.000 -11.441 0.000) 11.441 8.784 ( 0.000 6.179 0.000) 6.179 8.832 ( -0.000 2.688 -0.000) 2.688 9.222 ( 0.000 18.252 -0.000) 18.252 9.393 ( -0.000 -2.796 0.000) 2.796 9.462 ( -0.000 -6.091 0.000) 6.091 9.627 ( -0.000 5.096 0.000) 5.096 10.113 ( 0.000 -13.260 0.000) 13.260 10.143 ( -0.000 -7.337 -0.000) 7.337 10.650 ( 0.000 -0.820 0.000) 0.820 10.932 ( 0.000 -4.118 0.000) 4.118 10.945 ( -0.000 1.226 -0.000) 1.226 11.179 ( 0.000 7.093 0.000) 7.093 11.289 ( -0.000 12.257 -0.000) 12.257 11.475 ( -0.000 -2.764 0.000) 2.764 11.672 ( -0.000 4.183 0.000) 4.183 11.919 ( -0.000 3.130 0.000) 3.130 12.291 ( -0.000 8.926 -0.000) 8.926 12.303 ( -0.000 12.788 0.000) 12.788 12.468 ( 0.000 -9.676 0.000) 9.676 12.547 ( -0.000 -5.893 0.000) 5.893 13.290 ( -0.000 -0.960 0.000) 0.960 13.411 ( 0.000 -5.400 0.000) 5.400 13.445 ( -0.000 1.741 0.000) 1.741 13.922 ( 0.000 -16.840 0.000) 16.840 14.116 ( -0.000 -7.588 0.000) 7.588 14.266 ( 0.000 -11.232 -0.000) 11.232 14.581 ( -0.000 -0.875 0.000) 0.875 14.712 ( -0.000 -2.930 0.000) 2.930 15.559 ( 0.000 20.742 0.000) 20.742 16.452 ( -0.000 8.438 0.000) 8.438 17.073 ( -0.000 33.622 0.000) 33.622 17.363 ( -0.000 2.731 0.000) 2.731 17.571 ( 0.000 -4.502 0.000) 4.502 18.363 ( -0.000 15.046 0.000) 15.046 18.516 ( -0.000 11.897 0.000) 11.897 18.743 ( 0.000 -4.783 0.000) 4.783 19.612 ( 0.000 4.701 0.000) 4.701 19.962 ( 0.000 8.134 0.000) 8.134 20.420 ( 0.000 -3.327 0.000) 3.327 21.118 ( -0.000 -13.287 0.000) 13.287 22.271 ( -0.000 58.503 0.000) 58.503 24.759 ( 0.000 -22.813 0.000) 22.813 25.781 ( -0.000 1.644 0.000) 1.644 26.352 ( -0.000 -20.983 0.000) 20.983 27.892 ( -0.000 5.302 0.000) 5.302 28.464 ( -0.000 -7.373 0.000) 7.373 ======================= Grid point 243 (118/128) ======================= q-point: ( 0.10 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -11.452 7.696 0.166) 13.799 1.660 ( -3.659 -2.705 -1.340) 4.743 2.073 ( -6.531 8.651 0.444) 10.848 2.163 ( 3.348 19.960 -2.583) 20.403 2.272 ( 2.629 4.147 -1.316) 5.083 2.690 ( -0.328 -2.646 1.144) 2.901 2.727 ( 10.776 4.309 10.015) 15.329 2.776 ( 6.297 -1.129 -11.360) 13.038 3.032 ( -5.316 14.971 -9.263) 18.390 3.207 ( 4.232 32.249 -0.785) 32.535 3.241 ( -4.983 3.054 -11.803) 13.171 3.628 ( 4.730 11.184 11.076) 16.435 3.755 ( -13.934 5.823 4.647) 15.800 3.921 ( 0.797 20.067 -7.111) 21.304 4.104 ( 0.296 24.157 -2.099) 24.250 4.368 ( -0.235 1.922 -2.125) 2.875 4.610 ( -6.460 3.374 2.521) 7.711 4.750 ( -1.946 4.119 -0.037) 4.556 4.925 ( 2.077 -2.823 1.995) 4.033 5.118 ( 12.211 -1.614 1.502) 12.408 5.533 ( 3.386 -11.380 -0.877) 11.906 5.766 ( 7.867 10.733 5.275) 14.314 5.827 ( 8.492 -3.115 2.261) 9.324 6.159 ( -3.009 -12.850 -1.499) 13.283 6.564 ( -0.611 2.796 1.080) 3.059 6.583 ( -1.541 1.159 2.736) 3.347 6.884 ( -5.626 -1.782 -1.634) 6.124 7.240 ( 9.890 -2.574 2.033) 10.420 7.490 ( 4.095 -2.123 -2.423) 5.210 7.854 ( -0.431 -3.203 0.890) 3.352 8.202 ( 2.789 -6.272 0.611) 6.891 8.288 ( 3.903 -11.026 -0.992) 11.738 8.729 ( -9.751 3.635 -3.494) 10.977 8.799 ( 1.356 6.244 0.407) 6.402 9.104 ( -8.418 5.275 2.472) 10.237 9.376 ( -0.638 2.149 -2.131) 3.093 9.458 ( -3.247 -3.020 -1.454) 4.666 9.646 ( -1.080 8.480 5.455) 10.140 9.972 ( -1.942 -7.078 -13.345) 15.230 10.415 ( 14.807 -9.738 8.989) 19.871 10.660 ( 0.292 -1.535 3.600) 3.925 10.831 ( -6.175 -3.020 -0.927) 6.937 10.976 ( 0.228 3.736 -7.686) 8.549 11.105 ( -1.859 9.704 -0.177) 9.882 11.345 ( 2.518 4.371 -0.028) 5.045 11.567 ( 6.074 -2.285 6.021) 8.852 11.638 ( -1.954 4.726 0.553) 5.144 11.865 ( -4.327 7.335 -0.965) 8.571 12.194 ( -6.530 6.519 -2.998) 9.702 12.321 ( -0.159 7.694 -1.152) 7.781 12.375 ( -3.241 -3.186 -0.345) 4.558 12.712 ( 7.094 -6.216 2.951) 9.883 13.242 ( -2.728 0.076 2.480) 3.688 13.359 ( -4.752 -12.947 1.626) 13.887 13.500 ( 3.976 4.211 4.450) 7.304 13.932 ( -0.085 -15.527 -0.349) 15.531 14.033 ( -5.993 -6.799 2.199) 9.326 14.331 ( 4.651 -10.916 0.837) 11.895 14.575 ( -0.202 -1.547 -2.547) 2.987 14.724 ( 1.261 -4.760 2.137) 5.368 15.600 ( 4.204 20.515 0.267) 20.943 16.467 ( 1.567 13.593 -3.237) 14.060 17.135 ( 3.182 30.704 1.095) 30.887 17.237 ( -9.356 5.658 1.100) 10.989 17.570 ( 1.182 -0.220 -0.053) 1.203 18.289 ( -4.849 18.669 -9.010) 21.289 18.450 ( -5.663 14.359 3.451) 15.817 18.733 ( -1.288 -4.071 3.747) 5.681 19.359 ( -13.682 0.759 0.423) 13.709 20.270 ( 13.994 -5.641 2.826) 15.351 20.473 ( 5.398 -0.516 2.139) 5.829 21.080 ( -3.754 -12.444 -1.122) 13.046 22.499 ( 21.949 53.503 11.966) 59.055 24.812 ( 5.024 -21.223 5.158) 22.411 25.727 ( -6.793 -0.725 -4.486) 8.173 25.987 ( -28.534 -9.691 -16.709) 34.457 28.032 ( 9.737 -0.233 -1.263) 9.821 28.464 ( -0.062 -6.812 -0.797) 6.859 ======================= Grid point 244 (119/128) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -4.061 10.784 -3.118) 11.937 1.579 ( -4.385 -2.645 -1.794) 5.426 1.865 ( -9.866 11.291 0.419) 15.000 2.252 ( 5.831 17.313 -4.887) 18.911 2.414 ( 9.181 6.293 0.848) 11.163 2.601 ( -7.254 -4.449 5.377) 10.066 2.880 ( -3.633 9.357 -4.913) 11.176 2.958 ( 10.301 6.592 -9.116) 15.254 2.983 ( 3.380 2.827 1.687) 4.718 3.096 ( -5.945 4.260 -6.553) 9.820 3.295 ( 3.394 29.926 -8.030) 31.169 3.504 ( -9.102 6.947 4.773) 12.405 3.626 ( -2.505 10.318 6.932) 12.680 4.033 ( 5.806 19.477 -6.147) 21.233 4.080 ( -0.336 21.102 -3.703) 21.427 4.361 ( -0.000 5.432 -0.863) 5.500 4.531 ( -1.689 -0.372 -1.899) 2.569 4.762 ( 4.145 5.432 1.665) 7.033 4.935 ( -1.333 -2.999 4.090) 5.244 5.347 ( 10.649 -5.417 -0.974) 11.988 5.608 ( 4.337 -6.453 -0.970) 7.835 5.940 ( 7.469 5.026 6.168) 10.913 5.994 ( 5.173 -3.291 5.358) 8.143 6.082 ( -1.891 -15.474 -1.732) 15.685 6.506 ( -5.891 0.680 6.941) 9.129 6.577 ( 0.218 3.385 0.321) 3.407 6.830 ( 1.116 5.458 -1.918) 5.892 7.410 ( 7.112 -1.116 0.768) 7.240 7.608 ( 8.272 0.119 -3.498) 8.982 7.871 ( 1.958 -2.879 1.619) 3.840 8.292 ( 5.914 -2.909 1.008) 6.667 8.364 ( 3.235 -7.153 -1.363) 7.968 8.490 ( -12.640 4.805 -4.979) 14.410 8.840 ( 2.317 2.250 4.036) 5.170 8.973 ( -4.422 -2.539 -1.705) 5.376 9.295 ( -9.293 -0.869 -1.234) 9.415 9.403 ( 1.142 8.491 -3.179) 9.138 9.579 ( -5.382 10.370 4.257) 12.435 9.970 ( 0.129 -1.798 -5.985) 6.250 10.579 ( -0.510 -6.841 9.657) 11.846 10.649 ( -2.191 -0.967 3.924) 4.597 10.789 ( 3.079 -5.122 0.984) 6.057 11.004 ( 4.666 7.150 -12.048) 14.766 11.149 ( 6.034 9.391 0.171) 11.164 11.352 ( -2.163 -1.611 -2.093) 3.414 11.553 ( -2.932 -1.960 2.042) 4.075 11.724 ( 3.934 6.576 5.940) 9.696 11.805 ( 0.404 11.128 -2.212) 11.353 12.090 ( -3.714 7.039 0.970) 8.017 12.239 ( -5.824 -7.386 -3.292) 9.965 12.380 ( 1.554 7.152 -0.353) 7.327 12.723 ( -5.430 2.253 3.096) 6.644 13.127 ( -8.833 -14.236 -1.752) 16.845 13.390 ( 6.641 -4.059 4.243) 8.865 13.541 ( -1.141 -3.723 5.987) 7.142 13.853 ( -5.360 -10.695 -0.450) 11.972 13.993 ( 0.488 -5.209 2.547) 5.819 14.403 ( 2.007 -10.794 3.281) 11.459 14.607 ( 4.201 -3.993 0.429) 5.812 14.759 ( 2.194 -6.979 0.083) 7.316 15.718 ( 7.685 19.040 0.215) 20.533 16.505 ( 2.689 27.129 -5.621) 27.835 16.941 ( -11.431 11.904 6.877) 17.879 17.358 ( 12.021 25.463 -4.206) 28.471 17.636 ( 6.033 -0.181 -5.222) 7.981 18.210 ( -3.552 15.198 -7.990) 17.534 18.335 ( -5.289 18.619 3.379) 19.649 18.696 ( -3.176 -2.579 6.730) 7.876 19.125 ( -11.481 -3.889 1.191) 12.180 20.415 ( 3.050 -12.997 0.454) 13.358 20.540 ( -0.555 0.948 3.884) 4.036 20.978 ( -6.419 -11.319 -2.054) 13.173 23.032 ( 27.579 39.451 18.894) 51.710 24.945 ( 7.298 -16.693 7.019) 19.524 25.273 ( -28.629 3.144 -20.626) 35.425 25.707 ( -4.355 -4.881 -6.586) 9.282 28.145 ( 1.308 -2.902 -4.139) 5.221 28.454 ( -1.063 -5.852 -1.398) 6.110 ======================= Grid point 245 (120/128) ======================= q-point: ( 0.30 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 9.774 9.260 -4.726) 14.269 1.496 ( -2.997 0.934 0.716) 3.219 1.797 ( 3.058 12.202 -0.458) 12.588 2.350 ( 1.949 7.516 -2.598) 8.187 2.458 ( -5.095 1.758 2.310) 5.864 2.558 ( 2.280 11.141 -1.281) 11.443 2.755 ( -15.884 2.733 -2.662) 16.336 2.797 ( -0.284 -1.296 -2.665) 2.977 3.088 ( -1.115 6.971 -4.484) 8.363 3.145 ( 3.319 29.034 2.293) 29.313 3.292 ( -1.965 20.288 4.296) 20.831 3.479 ( 5.301 5.966 -6.300) 10.168 3.673 ( 6.796 -0.560 3.738) 7.777 4.005 ( -2.931 32.257 -2.136) 32.460 4.107 ( -1.539 9.152 -5.856) 10.974 4.382 ( 2.521 7.545 -0.664) 7.982 4.530 ( 1.200 -1.884 -5.205) 5.664 4.879 ( -3.288 -0.452 5.442) 6.374 4.932 ( 10.551 -0.039 -1.348) 10.637 5.514 ( 6.655 -6.689 -3.554) 10.083 5.705 ( 5.806 -2.238 -0.122) 6.224 5.902 ( -6.768 -5.243 0.516) 8.576 6.072 ( 3.948 -6.418 4.769) 8.918 6.173 ( 5.106 -9.322 4.627) 11.592 6.364 ( -8.891 2.044 7.211) 11.629 6.548 ( -3.331 -0.513 -0.471) 3.403 6.944 ( 9.933 14.492 0.073) 17.569 7.519 ( 4.170 3.095 -0.898) 5.270 7.779 ( 8.084 0.343 -3.482) 8.808 7.915 ( 2.576 0.176 1.704) 3.093 8.223 ( -11.088 4.369 -4.177) 12.629 8.391 ( 2.615 3.040 0.098) 4.010 8.475 ( 6.820 -6.061 -0.183) 9.126 8.846 ( -2.485 -8.322 5.205) 10.126 8.960 ( 2.292 -3.106 -3.130) 4.969 9.142 ( -4.720 6.006 -0.507) 7.656 9.417 ( -1.069 20.455 -1.066) 20.511 9.463 ( -5.410 7.061 0.438) 8.906 9.957 ( 0.080 -4.239 -0.117) 4.241 10.492 ( -7.321 -6.188 4.451) 10.569 10.669 ( 3.577 -0.561 7.577) 8.398 10.817 ( -0.293 -2.904 -1.470) 3.268 11.113 ( 6.711 5.938 -7.209) 11.501 11.248 ( -1.997 7.184 -1.824) 7.676 11.313 ( 2.599 1.105 -0.373) 2.849 11.509 ( -1.501 -3.445 3.376) 5.052 11.734 ( -0.598 12.083 0.035) 12.098 11.890 ( 5.179 10.942 -1.091) 12.155 12.034 ( -2.750 6.835 1.703) 7.562 12.143 ( -2.738 -10.633 -3.644) 11.569 12.405 ( 1.056 4.507 -1.178) 4.777 12.577 ( -8.277 6.716 5.052) 11.796 12.959 ( -7.905 -11.652 -1.963) 14.217 13.399 ( -8.029 -13.322 3.057) 15.852 13.571 ( 6.049 -2.252 1.851) 6.715 13.804 ( -0.291 -8.036 -0.780) 8.079 14.014 ( 1.289 -2.860 4.629) 5.592 14.427 ( 0.682 -10.390 4.606) 11.386 14.689 ( 2.545 -7.235 2.466) 8.056 14.834 ( 6.005 -8.293 -2.351) 10.505 15.886 ( 9.453 17.777 0.316) 20.136 16.562 ( 3.511 38.515 -5.915) 39.125 16.801 ( -4.261 14.480 3.752) 15.553 17.599 ( 12.456 18.999 0.801) 22.732 17.803 ( 11.846 -1.080 -13.056) 17.662 18.089 ( -7.704 9.443 -1.997) 12.349 18.293 ( 0.052 22.240 -1.203) 22.272 18.616 ( -5.875 -1.661 9.423) 11.228 18.897 ( -12.136 -2.813 1.809) 12.588 20.356 ( -8.298 -3.230 0.428) 8.915 20.552 ( 2.150 -8.401 1.877) 8.873 20.843 ( -6.664 -12.525 -1.567) 14.274 23.466 ( 13.343 28.618 13.697) 34.418 24.829 ( -10.757 12.567 -15.145) 22.428 25.116 ( 6.090 -15.191 8.350) 18.373 25.655 ( -0.448 -8.542 -5.165) 9.993 28.090 ( -5.535 -1.519 -4.982) 7.600 28.418 ( -2.445 -5.384 -1.554) 6.113 ======================= Grid point 246 (121/128) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 12.758 5.642 0.172) 13.951 1.480 ( 1.038 4.425 0.733) 4.604 1.937 ( 9.308 9.158 -1.538) 13.148 2.239 ( -9.415 -2.272 -2.211) 9.934 2.376 ( -7.546 9.037 -2.721) 12.083 2.530 ( -3.056 10.320 3.292) 11.255 2.575 ( 1.501 6.806 -1.730) 7.181 2.883 ( 2.202 3.349 0.224) 4.015 2.938 ( -7.468 5.210 -1.914) 9.305 3.168 ( -0.958 46.028 -0.173) 46.038 3.293 ( 0.944 -3.058 7.552) 8.202 3.597 ( 5.562 11.132 -7.915) 14.748 3.805 ( 3.469 0.403 1.888) 3.970 3.946 ( -1.116 25.909 1.367) 25.969 4.058 ( -2.058 12.287 -4.174) 13.139 4.463 ( 5.761 8.770 -1.778) 10.642 4.548 ( 0.914 -1.689 -3.874) 4.323 4.787 ( -5.718 1.027 2.763) 6.433 5.115 ( 6.211 -6.920 -0.343) 9.305 5.614 ( 4.105 -5.844 -3.820) 8.099 5.788 ( -1.709 -2.684 -0.874) 3.300 5.829 ( 3.700 -2.551 0.780) 4.561 6.125 ( 0.481 -4.191 4.142) 5.912 6.195 ( -5.107 -4.892 5.271) 8.820 6.261 ( 2.194 -3.224 2.332) 4.544 6.459 ( -5.423 -2.472 -1.038) 6.050 7.165 ( 11.650 14.042 1.552) 18.312 7.544 ( -2.502 11.117 -1.501) 11.494 7.855 ( 1.841 -1.528 -0.930) 2.567 7.995 ( 0.994 5.641 -1.025) 5.819 8.066 ( -1.530 1.216 -2.840) 3.448 8.424 ( 1.193 8.108 -0.397) 8.204 8.601 ( 5.244 -8.602 0.424) 10.083 8.789 ( -3.407 -11.634 3.630) 12.654 8.982 ( 0.898 1.588 1.562) 2.402 9.109 ( -1.454 4.959 -1.710) 5.443 9.337 ( -2.996 18.351 -0.312) 18.597 9.433 ( -0.004 11.333 -2.766) 11.666 10.004 ( 4.461 -6.396 4.265) 8.888 10.336 ( -8.573 -4.877 0.630) 9.883 10.753 ( 3.474 -3.098 4.250) 6.304 10.803 ( -0.571 -1.800 -0.055) 1.889 11.166 ( -3.960 5.769 -0.841) 7.047 11.240 ( 6.619 4.628 -5.106) 9.555 11.348 ( 0.310 6.662 -0.349) 6.678 11.522 ( 2.636 -2.992 4.235) 5.817 11.676 ( -5.573 10.388 0.658) 11.807 11.896 ( -4.751 8.440 -1.237) 9.764 12.047 ( 2.101 6.107 -0.083) 6.458 12.159 ( 6.478 -4.269 -6.605) 10.189 12.418 ( 0.224 3.208 -2.576) 4.120 12.457 ( -4.279 6.398 7.887) 11.020 12.815 ( -6.669 -8.628 -0.644) 10.924 13.239 ( -6.951 -13.899 0.818) 15.562 13.671 ( 3.646 -3.639 0.755) 5.207 13.807 ( 0.316 -7.846 -1.139) 7.935 14.041 ( 0.899 -1.775 3.779) 4.271 14.445 ( 0.719 -10.052 3.610) 10.705 14.714 ( 0.444 -6.997 1.363) 7.142 14.945 ( 4.493 -12.258 -2.154) 13.232 16.084 ( 10.371 17.720 0.741) 20.545 16.598 ( -0.710 22.163 -4.189) 22.567 16.754 ( -0.690 43.056 1.600) 43.091 17.824 ( 8.124 9.363 2.135) 12.579 17.967 ( -1.301 7.196 1.370) 7.440 18.050 ( 13.724 0.345 -17.317) 22.099 18.293 ( -0.676 16.180 -2.745) 16.425 18.481 ( -8.941 -1.152 11.724) 14.789 18.667 ( -11.038 4.982 2.602) 12.387 20.191 ( -7.104 0.169 -0.001) 7.106 20.571 ( -0.740 -6.329 -0.175) 6.374 20.752 ( -2.089 -18.447 0.268) 18.567 23.575 ( -0.321 25.210 2.695) 25.356 24.777 ( 3.075 13.648 -2.444) 14.202 25.206 ( 2.437 -14.355 4.277) 15.175 25.675 ( 2.164 -9.531 -2.199) 10.018 27.967 ( -5.643 0.583 -3.508) 6.670 28.367 ( -2.250 -5.405 -1.033) 5.945 ======================= Grid point 247 (122/128) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -0.000 6.761 0.000) 6.761 1.608 ( -0.000 4.756 0.000) 4.756 2.044 ( 0.000 0.986 -0.000) 0.986 2.101 ( -0.000 -0.682 0.000) 0.682 2.295 ( -0.000 12.237 0.000) 12.237 2.536 ( -0.000 16.788 0.000) 16.788 2.610 ( -0.000 7.748 0.000) 7.748 2.744 ( -0.000 -1.977 0.000) 1.977 2.976 ( -0.000 2.023 0.000) 2.023 3.153 ( -0.000 50.568 0.000) 50.568 3.306 ( -0.000 -8.439 0.000) 8.439 3.649 ( -0.000 16.366 -0.000) 16.366 3.804 ( -0.000 7.449 0.000) 7.449 3.984 ( 0.000 24.028 0.000) 24.028 4.019 ( -0.000 5.166 -0.000) 5.166 4.549 ( -0.000 -1.357 0.000) 1.357 4.559 ( -0.000 10.374 -0.000) 10.374 4.702 ( -0.000 0.250 0.000) 0.250 5.169 ( -0.000 -10.251 0.000) 10.251 5.649 ( -0.000 -7.013 -0.000) 7.013 5.781 ( 0.000 -0.962 -0.000) 0.962 5.871 ( -0.000 -1.647 0.000) 1.647 6.090 ( -0.000 1.600 0.000) 1.600 6.181 ( -0.000 -8.175 0.000) 8.175 6.313 ( 0.000 -0.335 0.000) 0.335 6.371 ( -0.000 -6.940 -0.000) 6.940 7.335 ( 0.000 3.549 0.000) 3.549 7.458 ( -0.000 24.515 0.000) 24.515 7.906 ( -0.000 -4.176 0.000) 4.176 7.930 ( -0.000 5.870 0.000) 5.870 8.103 ( -0.000 1.654 0.000) 1.654 8.437 ( -0.000 11.595 0.000) 11.595 8.659 ( -0.000 -9.306 0.000) 9.306 8.746 ( -0.000 -14.743 0.000) 14.743 9.021 ( -0.000 21.643 0.000) 21.643 9.052 ( -0.000 -7.112 0.000) 7.112 9.320 ( -0.000 4.742 0.000) 4.742 9.435 ( -0.000 18.975 0.000) 18.975 10.092 ( -0.000 -6.803 0.000) 6.803 10.210 ( -0.000 -4.318 0.000) 4.318 10.784 ( -0.000 -0.999 0.000) 0.999 10.805 ( 0.000 -5.100 -0.000) 5.100 11.123 ( 0.000 7.807 0.000) 7.807 11.320 ( -0.000 3.420 0.000) 3.420 11.351 ( -0.000 5.255 -0.000) 5.255 11.571 ( 0.000 12.297 0.000) 12.297 11.596 ( -0.000 -5.095 -0.000) 5.095 11.821 ( -0.000 9.149 0.000) 9.149 12.056 ( -0.000 2.123 0.000) 2.123 12.284 ( -0.000 4.700 0.000) 4.700 12.388 ( -0.000 4.756 0.000) 4.756 12.428 ( -0.000 3.133 0.000) 3.133 12.736 ( -0.000 -8.579 0.000) 8.579 13.168 ( -0.000 -14.076 0.000) 14.076 13.707 ( -0.000 -4.024 0.000) 4.024 13.810 ( -0.000 -7.704 0.000) 7.704 14.052 ( -0.000 -1.492 0.000) 1.492 14.455 ( -0.000 -9.685 -0.000) 9.685 14.719 ( -0.000 -6.899 0.000) 6.899 14.988 ( -0.000 -13.844 0.000) 13.844 16.217 ( -0.000 18.434 0.000) 18.434 16.557 ( -0.000 5.954 0.000) 5.954 16.759 ( -0.000 64.235 0.000) 64.235 17.847 ( -0.000 7.526 0.000) 7.526 18.057 ( -0.000 5.430 0.000) 5.430 18.247 ( 0.000 0.810 -0.000) 0.810 18.287 ( 0.000 4.318 -0.000) 4.318 18.302 ( -0.000 -2.974 0.000) 2.974 18.541 ( 0.000 17.744 -0.000) 17.744 20.117 ( -0.000 0.894 0.000) 0.894 20.554 ( -0.000 -4.704 0.000) 4.704 20.740 ( -0.000 -21.020 0.000) 21.020 23.559 ( -0.000 24.953 0.000) 24.953 24.823 ( -0.000 12.859 0.000) 12.859 25.229 ( -0.000 -14.424 0.000) 14.424 25.701 ( -0.000 -9.343 -0.000) 9.343 27.904 ( -0.000 1.527 0.000) 1.527 28.343 ( -0.000 -5.494 0.000) 5.494 ======================= Grid point 253 (123/128) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -0.000 5.175 0.000) 5.175 1.644 ( 0.000 -3.672 0.000) 3.672 2.211 ( -0.000 5.555 0.000) 5.555 2.277 ( 0.000 -0.416 -0.000) 0.416 2.405 ( 0.000 6.246 0.000) 6.246 2.553 ( -0.000 -8.440 0.000) 8.440 2.692 ( 0.000 1.860 -0.000) 1.860 2.695 ( -0.000 1.478 0.000) 1.478 3.225 ( -0.000 5.239 0.000) 5.239 3.312 ( 0.000 -3.386 0.000) 3.386 3.747 ( 0.000 9.630 -0.000) 9.630 3.838 ( -0.000 11.761 0.000) 11.761 3.961 ( 0.000 13.360 0.000) 13.360 4.296 ( 0.000 -7.721 0.000) 7.721 4.326 ( 0.000 22.953 0.000) 22.953 4.717 ( -0.000 2.532 0.000) 2.532 4.769 ( -0.000 -4.853 0.000) 4.853 4.787 ( 0.000 -0.692 0.000) 0.692 4.901 ( 0.000 28.870 0.000) 28.870 4.994 ( 0.000 2.433 0.000) 2.433 5.161 ( -0.000 -12.579 0.000) 12.579 5.540 ( 0.000 -22.642 0.000) 22.642 5.887 ( -0.000 7.008 0.000) 7.008 5.984 ( 0.000 -5.817 0.000) 5.817 6.642 ( -0.000 3.638 -0.000) 3.638 6.679 ( -0.000 3.796 0.000) 3.796 6.899 ( -0.000 1.302 0.000) 1.302 7.036 ( 0.000 -6.647 0.000) 6.647 7.487 ( -0.000 6.277 0.000) 6.277 7.675 ( 0.000 -12.130 0.000) 12.130 8.075 ( 0.000 -4.171 -0.000) 4.171 8.079 ( -0.000 -3.165 0.000) 3.165 8.894 ( -0.000 5.047 0.000) 5.047 8.904 ( -0.000 3.832 0.000) 3.832 9.267 ( 0.000 -5.827 0.000) 5.827 9.296 ( -0.000 -8.322 0.000) 8.322 9.549 ( -0.000 15.414 0.000) 15.414 9.810 ( -0.000 8.226 0.000) 8.226 9.841 ( 0.000 -12.196 0.000) 12.196 9.997 ( 0.000 -8.141 -0.000) 8.141 10.673 ( 0.000 3.982 0.000) 3.982 10.801 ( -0.000 -8.108 0.000) 8.108 11.067 ( 0.000 10.691 0.000) 10.691 11.303 ( -0.000 -8.948 0.000) 8.948 11.329 ( 0.000 3.505 -0.000) 3.505 11.409 ( -0.000 -0.186 0.000) 0.186 11.796 ( -0.000 8.234 0.000) 8.234 11.940 ( -0.000 -4.180 0.000) 4.180 12.347 ( 0.000 0.321 0.000) 0.321 12.405 ( 0.000 -3.137 0.000) 3.137 12.528 ( -0.000 11.595 0.000) 11.595 12.579 ( -0.000 7.284 0.000) 7.284 13.143 ( -0.000 -10.330 -0.000) 10.330 13.157 ( 0.000 -9.704 0.000) 9.704 13.666 ( -0.000 10.064 0.000) 10.064 13.758 ( -0.000 -1.834 0.000) 1.834 13.989 ( -0.000 -3.813 0.000) 3.813 14.057 ( 0.000 -9.683 -0.000) 9.683 14.587 ( -0.000 1.630 0.000) 1.630 14.641 ( -0.000 -3.700 0.000) 3.700 15.958 ( 0.000 19.852 0.000) 19.852 16.308 ( -0.000 -15.479 0.000) 15.479 17.379 ( -0.000 5.192 0.000) 5.192 17.479 ( 0.000 -5.057 0.000) 5.057 17.901 ( 0.000 35.607 0.000) 35.607 18.427 ( -0.000 -18.527 0.000) 18.527 18.637 ( 0.000 10.913 0.000) 10.913 18.739 ( -0.000 0.344 0.000) 0.344 19.795 ( -0.000 12.738 0.000) 12.738 20.005 ( 0.000 -5.851 0.000) 5.851 20.466 ( 0.000 11.529 0.000) 11.529 20.797 ( -0.000 -19.028 0.000) 19.028 23.350 ( -0.000 50.676 0.000) 50.676 24.192 ( 0.000 -36.184 0.000) 36.184 25.843 ( -0.000 5.417 0.000) 5.417 26.016 ( 0.000 -13.051 0.000) 13.051 28.050 ( -0.000 10.680 0.000) 10.680 28.275 ( -0.000 -11.608 0.000) 11.608 ======================= Grid point 255 (124/128) ======================= q-point: ( 0.10 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -8.048 7.245 -1.676) 10.958 1.580 ( -5.296 -5.244 -1.996) 7.716 2.205 ( -3.925 5.709 -2.041) 7.222 2.281 ( 1.986 -1.648 0.251) 2.593 2.421 ( 1.882 7.419 -0.247) 7.658 2.554 ( -0.622 -7.537 3.296) 8.250 2.795 ( 11.038 2.405 3.297) 11.768 2.810 ( 11.283 1.187 -8.415) 14.125 3.157 ( -6.687 4.396 -6.840) 10.528 3.223 ( -7.544 -2.418 -9.343) 12.249 3.759 ( -0.753 4.801 2.314) 5.383 3.788 ( -5.680 4.356 5.331) 8.925 3.946 ( -0.163 24.562 -2.380) 24.678 4.268 ( -2.257 7.406 -2.071) 8.014 4.332 ( 1.729 4.930 -1.111) 5.341 4.612 ( -6.995 -6.071 0.781) 9.295 4.714 ( -2.495 13.575 1.779) 13.916 4.838 ( 0.521 -2.752 1.936) 3.405 4.935 ( 2.814 23.524 0.047) 23.691 5.090 ( 8.075 -0.319 -0.441) 8.093 5.249 ( 8.020 -10.510 -1.449) 13.299 5.588 ( 4.017 -24.963 0.109) 25.284 5.927 ( 3.254 4.753 4.182) 7.118 5.982 ( -0.041 -2.945 1.107) 3.146 6.622 ( -2.234 3.034 2.064) 4.296 6.661 ( -2.083 1.425 1.529) 2.951 6.915 ( 3.198 8.734 -0.109) 9.302 7.136 ( 8.321 -9.700 2.955) 13.117 7.528 ( 4.236 5.929 -0.918) 7.345 7.698 ( 2.379 -10.317 0.429) 10.597 8.115 ( 4.007 -4.126 -1.724) 6.005 8.122 ( 4.535 -2.988 -1.658) 5.679 8.826 ( -8.068 6.249 -1.765) 10.356 8.902 ( 0.251 2.202 -1.045) 2.450 9.089 ( -12.267 -0.330 2.626) 12.549 9.232 ( -4.670 -11.328 1.517) 12.347 9.575 ( 0.509 9.654 -8.382) 12.796 9.741 ( -4.416 -5.581 -8.876) 11.376 9.962 ( 10.547 10.408 6.145) 16.041 10.198 ( 13.451 -12.227 10.140) 20.815 10.664 ( -1.068 2.741 2.213) 3.681 10.756 ( -4.068 -5.440 0.066) 6.793 11.073 ( 1.020 8.605 -4.408) 9.722 11.259 ( -1.512 -4.803 -6.131) 7.934 11.343 ( 1.302 5.407 1.869) 5.868 11.486 ( 4.330 -5.544 6.701) 9.715 11.780 ( -0.596 9.060 0.735) 9.110 11.941 ( -0.037 -4.461 1.270) 4.638 12.245 ( -6.411 5.468 -8.139) 11.715 12.385 ( -1.986 -4.640 -5.243) 7.278 12.511 ( -2.035 14.600 -0.804) 14.763 12.691 ( 7.419 0.646 4.415) 8.657 13.072 ( -7.056 -6.964 2.490) 10.221 13.169 ( 0.988 -11.447 5.266) 12.639 13.600 ( -4.778 6.922 6.979) 10.929 13.742 ( -3.924 -7.123 1.395) 8.251 13.980 ( 1.746 3.299 -0.406) 3.755 14.126 ( 4.541 -9.997 -0.332) 10.985 14.573 ( -0.932 1.472 -0.941) 1.981 14.631 ( -0.573 -4.289 0.270) 4.335 15.993 ( 3.414 19.628 0.102) 19.923 16.342 ( 3.252 -15.672 -0.868) 16.030 17.369 ( -1.273 6.680 -3.015) 7.438 17.474 ( 1.246 -3.508 -4.356) 5.730 17.931 ( 2.745 34.108 2.064) 34.280 18.418 ( -0.813 -14.437 0.062) 14.460 18.613 ( -2.705 9.362 1.777) 9.905 18.721 ( -1.891 -0.089 1.372) 2.338 19.582 ( -14.407 22.185 -2.569) 26.577 20.026 ( -0.984 -19.478 -0.978) 19.528 20.561 ( 6.184 9.307 1.959) 11.344 20.805 ( -0.052 -14.819 -0.271) 14.821 23.493 ( 13.300 47.197 11.151) 50.287 24.282 ( 8.445 -33.973 8.081) 35.927 25.738 ( -10.762 2.266 -7.396) 13.254 25.824 ( -15.854 -6.660 -11.058) 20.445 28.106 ( 4.390 7.606 -0.603) 8.803 28.292 ( 1.316 -10.344 -0.720) 10.452 ======================= Grid point 256 (125/128) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -3.035 9.470 -4.123) 10.765 1.488 ( -3.072 -6.456 -3.232) 7.846 2.086 ( -5.957 11.386 1.571) 12.946 2.299 ( -1.461 -10.102 1.987) 10.398 2.485 ( 4.813 6.326 -4.267) 9.022 2.562 ( 2.253 -1.997 -0.032) 3.010 2.969 ( -9.767 2.908 -2.692) 10.540 3.011 ( -7.648 -0.970 0.021) 7.709 3.066 ( 13.526 3.699 -7.727) 16.010 3.103 ( 12.109 -0.274 -6.978) 13.979 3.634 ( -7.956 6.060 1.312) 10.087 3.698 ( -6.470 -0.288 1.903) 6.750 3.957 ( 1.051 27.913 -2.476) 28.042 4.256 ( 1.377 3.888 -5.523) 6.893 4.381 ( 2.691 1.155 0.180) 2.934 4.508 ( -3.304 -3.453 -1.682) 5.067 4.671 ( -2.308 17.567 3.710) 18.102 4.835 ( -0.208 -2.859 3.568) 4.577 4.985 ( 1.982 20.215 1.047) 20.339 5.255 ( 8.235 -3.934 -2.012) 9.346 5.426 ( 9.908 -7.466 -2.924) 12.746 5.651 ( 1.821 -25.543 -1.511) 25.652 5.978 ( 1.031 1.261 3.596) 3.948 6.001 ( 1.874 -0.251 5.253) 5.583 6.556 ( -4.783 3.067 2.989) 6.420 6.603 ( -3.861 -1.162 1.411) 4.272 7.037 ( 8.701 15.112 2.580) 17.628 7.317 ( 9.159 -10.803 4.712) 14.927 7.644 ( 7.407 4.435 -1.944) 8.849 7.771 ( 5.119 -6.656 -0.122) 8.398 8.217 ( 6.377 -2.721 -2.556) 7.389 8.249 ( 8.344 -2.953 -2.061) 9.088 8.620 ( -11.539 9.009 -3.451) 15.041 8.821 ( -8.733 -10.576 -1.865) 13.842 8.953 ( -1.418 8.694 1.864) 9.004 9.155 ( -3.933 -10.867 0.820) 11.585 9.564 ( 0.077 8.054 -5.872) 9.967 9.682 ( -0.746 -3.059 -3.164) 4.464 10.121 ( 3.301 14.967 6.601) 16.688 10.391 ( 3.266 -12.070 10.969) 16.633 10.637 ( -1.600 0.789 2.487) 3.060 10.692 ( -0.861 -4.377 0.105) 4.463 11.113 ( 3.558 5.931 -6.638) 9.587 11.258 ( 1.387 -6.791 -6.565) 9.547 11.387 ( 3.424 10.680 2.349) 11.458 11.531 ( 0.132 -1.823 3.747) 4.169 11.813 ( 3.633 4.243 3.414) 6.546 11.943 ( 0.106 -5.894 1.174) 6.011 12.140 ( -3.156 10.649 -8.816) 14.181 12.333 ( -2.884 -0.217 -3.190) 4.306 12.444 ( -4.127 11.040 -4.361) 12.567 12.780 ( -0.825 -13.453 -1.504) 13.562 12.907 ( -7.980 8.359 6.759) 13.388 13.187 ( -0.916 -15.481 7.704) 17.316 13.535 ( -1.777 3.702 4.361) 5.990 13.650 ( -3.642 -8.210 0.785) 9.016 14.029 ( 2.145 6.280 3.072) 7.312 14.195 ( 2.104 -10.252 3.813) 11.139 14.577 ( 1.794 0.990 -0.683) 2.160 14.639 ( 1.680 -5.065 -0.947) 5.419 16.083 ( 5.657 18.327 0.105) 19.180 16.416 ( 4.200 -15.574 -0.846) 16.152 17.355 ( 1.737 15.109 -5.708) 16.245 17.550 ( 6.923 -6.101 -8.884) 12.809 17.999 ( 3.727 30.507 2.621) 30.845 18.388 ( -2.981 -5.125 0.664) 5.966 18.544 ( -3.965 4.933 3.471) 7.218 18.664 ( -4.439 -2.812 3.155) 6.130 19.341 ( -9.587 30.323 -2.562) 31.905 19.992 ( -1.565 -30.310 -1.293) 30.378 20.610 ( -1.745 5.985 1.670) 6.454 20.765 ( -4.215 -9.878 -0.971) 10.783 23.820 ( 17.076 39.709 16.821) 46.382 24.500 ( 11.928 -29.478 12.583) 34.199 25.393 ( -18.731 8.657 -15.724) 25.943 25.572 ( -9.848 -8.789 -10.397) 16.802 28.162 ( 0.658 4.777 -2.285) 5.336 28.305 ( -0.294 -8.764 -1.635) 8.920 ======================= Grid point 257 (126/128) ======================= q-point: ( 0.30 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 5.888 7.583 -3.022) 10.065 1.470 ( 1.490 -3.591 -1.131) 4.049 2.039 ( 1.366 11.951 0.726) 12.051 2.245 ( -3.301 -9.282 2.078) 10.068 2.571 ( 2.426 4.551 -5.247) 7.357 2.630 ( 3.078 -1.221 -4.049) 5.230 2.767 ( -9.152 0.811 -4.903) 10.414 2.795 ( -7.962 -0.896 -1.256) 8.110 3.247 ( -0.325 7.061 2.616) 7.537 3.311 ( 1.529 0.663 6.672) 6.877 3.559 ( 3.900 4.029 -4.410) 7.134 3.614 ( 2.957 -1.422 -1.831) 3.758 3.973 ( 0.738 28.465 -2.496) 28.584 4.285 ( 1.389 4.082 -7.890) 8.991 4.410 ( 0.207 -2.955 1.598) 3.366 4.482 ( 0.358 -2.998 -4.723) 5.606 4.630 ( -1.677 21.183 4.409) 21.702 4.852 ( 1.479 -5.994 1.704) 6.404 5.003 ( -0.749 16.943 2.703) 17.174 5.381 ( 4.078 -10.389 -1.494) 11.260 5.619 ( 9.833 -5.168 -3.335) 11.599 5.669 ( 1.641 -13.981 -3.886) 14.603 5.996 ( 0.740 -0.221 3.293) 3.382 6.035 ( 1.196 -3.881 5.161) 6.567 6.447 ( -6.445 4.464 3.481) 8.578 6.517 ( -5.111 -2.638 1.035) 5.844 7.224 ( 9.436 14.743 4.165) 17.993 7.478 ( 6.757 -9.144 4.519) 12.235 7.784 ( 6.402 2.858 -1.706) 7.215 7.896 ( 7.612 -4.585 -1.456) 9.005 8.341 ( 5.462 2.802 -4.082) 7.372 8.402 ( -4.670 4.008 -4.503) 7.626 8.428 ( 4.652 3.597 0.798) 5.934 8.668 ( -6.180 -11.805 0.067) 13.326 8.929 ( -1.575 3.636 -1.021) 4.092 9.076 ( -3.828 -8.903 -0.725) 9.718 9.584 ( 2.107 8.992 -1.485) 9.354 9.711 ( 3.464 -2.135 2.608) 4.833 10.083 ( -6.407 17.557 3.905) 19.093 10.354 ( -6.127 -9.356 7.420) 13.421 10.644 ( 2.113 -0.037 2.986) 3.658 10.707 ( 1.310 -6.133 0.312) 6.279 11.179 ( 2.953 3.298 -1.243) 4.598 11.280 ( 1.717 -4.963 -2.887) 5.993 11.455 ( 2.001 9.120 -3.549) 9.989 11.545 ( 1.894 4.796 1.310) 5.320 11.872 ( 0.341 0.378 2.258) 2.315 11.942 ( 0.112 -6.688 0.665) 6.722 12.137 ( 4.075 13.684 -7.136) 15.962 12.254 ( -5.317 13.869 0.178) 14.855 12.387 ( -0.130 -4.123 -6.618) 7.798 12.627 ( -10.248 -14.312 -0.895) 17.625 12.833 ( -3.442 10.306 4.798) 11.878 13.109 ( -7.172 -15.722 6.357) 18.413 13.556 ( 3.081 1.091 1.030) 3.427 13.627 ( 0.583 -6.783 -0.829) 6.858 14.063 ( 1.126 5.749 5.979) 8.371 14.220 ( 0.573 -10.162 6.002) 11.816 14.625 ( 2.474 0.502 -0.479) 2.570 14.692 ( 3.520 -5.871 -1.818) 7.083 16.213 ( 7.720 16.088 -0.091) 17.845 16.501 ( 4.509 -13.259 -0.561) 14.016 17.449 ( 8.191 22.133 -7.830) 24.865 17.712 ( 10.099 -7.801 -9.603) 15.971 18.073 ( 3.762 22.852 1.071) 23.184 18.285 ( -7.348 6.100 2.555) 9.886 18.478 ( -3.840 -2.661 2.188) 5.159 18.554 ( -6.745 -5.421 5.294) 10.144 19.205 ( -4.542 37.416 -1.596) 37.724 19.968 ( -1.058 -34.594 -0.758) 34.618 20.527 ( -5.657 4.373 1.345) 7.276 20.648 ( -7.160 -7.839 -1.252) 10.690 24.100 ( 8.606 34.452 13.114) 37.855 24.709 ( 7.060 -26.921 10.973) 29.916 25.120 ( -6.430 16.567 -11.191) 21.001 25.430 ( -3.136 -14.494 -7.952) 16.827 28.125 ( -3.749 5.273 -3.172) 7.206 28.272 ( -2.672 -8.796 -2.101) 9.430 ======================= Grid point 258 (127/128) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 9.098 3.015 1.156) 9.654 1.538 ( 5.283 1.242 0.352) 5.438 2.082 ( 0.710 5.697 -1.297) 5.886 2.173 ( -5.469 -4.055 -2.141) 7.137 2.506 ( -2.955 6.345 -1.857) 7.241 2.596 ( -3.288 -1.709 -0.806) 3.792 2.707 ( 3.310 6.223 -2.303) 7.415 2.832 ( 6.520 -6.201 -3.025) 9.493 3.078 ( -13.159 8.146 2.233) 15.636 3.209 ( -7.981 -5.389 5.069) 10.883 3.717 ( 8.592 4.739 -1.359) 9.906 3.769 ( 8.050 -0.617 1.444) 8.202 3.980 ( 0.147 29.962 -1.967) 30.027 4.282 ( -0.649 12.168 -5.878) 13.529 4.398 ( -1.447 -5.306 0.491) 5.521 4.495 ( 1.087 -3.674 -4.634) 6.012 4.649 ( 3.621 17.651 2.624) 18.209 4.874 ( 0.031 0.675 -1.037) 1.238 4.953 ( -3.974 5.629 4.059) 7.997 5.395 ( -1.548 -20.445 0.360) 20.507 5.736 ( 4.778 -0.133 -4.380) 6.483 5.779 ( 5.887 -2.964 -2.068) 6.907 6.023 ( 2.056 -1.589 1.556) 3.029 6.067 ( 1.944 -5.472 2.617) 6.369 6.330 ( -5.137 4.958 2.912) 7.710 6.408 ( -6.006 -3.131 1.095) 6.861 7.385 ( 6.323 10.974 3.209) 13.066 7.580 ( 3.225 -7.220 2.512) 8.297 7.882 ( 3.951 5.336 -0.856) 6.694 8.028 ( 4.867 -5.441 -1.164) 7.392 8.241 ( -5.510 13.880 -3.844) 15.421 8.434 ( 1.473 -3.906 -3.628) 5.530 8.547 ( 3.215 -1.526 0.100) 3.561 8.614 ( 1.223 -2.548 3.341) 4.376 8.901 ( -0.670 -1.594 -1.492) 2.284 9.015 ( -2.376 -9.675 -1.523) 10.078 9.637 ( 3.220 12.608 1.855) 13.144 9.792 ( 3.125 2.632 3.823) 5.595 9.955 ( -4.553 11.231 0.608) 12.134 10.211 ( -8.252 -9.436 2.119) 12.713 10.697 ( 2.419 -1.138 1.875) 3.266 10.728 ( 0.669 -3.961 0.901) 4.117 11.216 ( 1.041 4.387 2.766) 5.290 11.342 ( 4.503 -5.096 0.808) 6.848 11.470 ( 0.867 7.093 -5.311) 8.903 11.560 ( -1.260 5.096 -1.922) 5.590 11.816 ( -4.506 6.034 -0.998) 7.596 11.968 ( 1.975 -3.858 2.192) 4.857 12.129 ( -5.583 10.267 0.806) 11.714 12.271 ( 6.144 7.831 -4.982) 11.131 12.416 ( 3.011 -4.860 -4.207) 7.098 12.487 ( -1.931 -7.021 -1.772) 7.494 12.734 ( -7.239 7.124 4.122) 10.961 12.968 ( -6.735 -13.976 3.971) 16.014 13.616 ( 2.384 -1.478 0.529) 2.855 13.644 ( 0.902 -5.360 -1.482) 5.633 14.086 ( 0.792 5.141 4.461) 6.853 14.239 ( 0.805 -10.232 4.331) 11.140 14.659 ( 1.048 1.286 -0.497) 1.732 14.750 ( 2.166 -7.670 -1.362) 8.086 16.372 ( 7.990 12.830 -0.162) 15.115 16.575 ( 2.472 -7.616 -0.464) 8.020 17.630 ( 10.032 26.405 -6.814) 29.057 17.899 ( 8.885 -5.209 -6.147) 11.994 18.119 ( -4.553 8.062 0.710) 9.286 18.171 ( 1.855 9.272 0.845) 9.493 18.359 ( -7.786 -2.344 -0.529) 8.149 18.439 ( -5.911 -4.697 7.186) 10.423 19.149 ( -1.447 41.642 -0.341) 41.668 19.943 ( -1.447 -32.480 -0.323) 32.514 20.436 ( -3.194 -0.210 1.089) 3.381 20.516 ( -5.622 -6.528 -0.929) 8.665 24.170 ( -0.484 33.914 3.920) 34.143 24.777 ( 0.480 -26.029 4.219) 26.373 25.112 ( 3.435 16.166 -1.922) 16.638 25.432 ( 2.507 -15.308 -2.363) 15.691 28.039 ( -3.973 7.017 -2.362) 8.402 28.213 ( -2.727 -9.721 -1.521) 10.210 ======================= Grid point 259 (128/128) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -0.000 4.773 0.000) 4.773 1.652 ( -0.000 -0.436 0.000) 0.436 2.062 ( -0.000 0.954 -0.000) 0.954 2.082 ( -0.000 -1.134 0.000) 1.134 2.483 ( -0.000 8.120 0.000) 8.120 2.616 ( -0.000 -5.434 0.000) 5.434 2.787 ( -0.000 9.265 0.000) 9.265 2.863 ( 0.000 12.090 0.000) 12.090 2.923 ( -0.000 -5.275 0.000) 5.275 3.104 ( -0.000 -12.003 0.000) 12.003 3.813 ( 0.000 3.888 0.000) 3.888 3.851 ( -0.000 0.961 0.000) 0.961 3.978 ( -0.000 30.962 -0.000) 30.962 4.271 ( -0.000 16.962 0.000) 16.962 4.377 ( -0.000 -5.597 0.000) 5.597 4.504 ( -0.000 -3.402 0.000) 3.402 4.726 ( -0.000 7.660 -0.000) 7.660 4.830 ( -0.000 23.562 0.000) 23.562 4.921 ( -0.000 -12.025 0.000) 12.025 5.373 ( -0.000 -23.138 0.000) 23.138 5.789 ( -0.000 1.874 -0.000) 1.874 5.833 ( -0.000 -2.186 0.000) 2.186 6.061 ( 0.000 -1.758 0.000) 1.758 6.091 ( 0.000 -2.644 0.000) 2.644 6.299 ( 0.000 -0.132 0.000) 0.132 6.312 ( -0.000 -0.443 0.000) 0.443 7.453 ( -0.000 8.269 0.000) 8.269 7.610 ( -0.000 -5.651 0.000) 5.651 7.928 ( -0.000 6.473 0.000) 6.473 8.060 ( -0.000 0.574 0.000) 0.574 8.196 ( -0.000 8.512 0.000) 8.512 8.430 ( -0.000 -12.534 -0.000) 12.534 8.581 ( -0.000 2.805 0.000) 2.805 8.639 ( -0.000 5.680 0.000) 5.680 8.902 ( -0.000 -5.758 0.000) 5.758 8.985 ( -0.000 -10.058 0.000) 10.058 9.686 ( -0.000 17.331 0.000) 17.331 9.792 ( -0.000 14.270 0.000) 14.270 9.959 ( -0.000 -5.275 -0.000) 5.275 10.095 ( -0.000 -8.938 0.000) 8.938 10.728 ( -0.000 -2.247 0.000) 2.247 10.730 ( 0.000 -2.347 -0.000) 2.347 11.228 ( 0.000 6.781 0.000) 6.781 11.411 ( -0.000 -8.878 0.000) 8.878 11.482 ( -0.000 4.019 0.000) 4.019 11.523 ( -0.000 6.494 -0.000) 6.494 11.758 ( -0.000 12.111 0.000) 12.111 12.009 ( -0.000 -7.821 -0.000) 7.821 12.049 ( -0.000 13.759 0.000) 13.759 12.304 ( -0.000 -8.226 0.000) 8.226 12.489 ( -0.000 2.343 0.000) 2.343 12.542 ( -0.000 -6.606 0.000) 6.606 12.586 ( 0.000 15.299 -0.000) 15.299 12.895 ( -0.000 -14.836 0.000) 14.836 13.640 ( -0.000 -2.342 0.000) 2.342 13.652 ( -0.000 -4.829 0.000) 4.829 14.097 ( -0.000 5.090 0.000) 5.090 14.250 ( -0.000 -10.346 0.000) 10.346 14.668 ( -0.000 1.698 0.000) 1.698 14.770 ( -0.000 -8.451 0.000) 8.451 16.469 ( -0.000 9.578 0.000) 9.578 16.590 ( -0.000 -2.551 0.000) 2.551 17.757 ( -0.000 31.029 0.000) 31.029 17.964 ( 0.000 3.015 0.000) 3.015 18.087 ( -0.000 0.235 0.000) 0.235 18.189 ( 0.000 -8.208 -0.000) 8.208 18.298 ( 0.000 3.371 -0.000) 3.371 18.342 ( -0.000 0.076 0.000) 0.076 19.137 ( -0.000 42.689 0.000) 42.689 19.925 ( -0.000 -29.848 0.000) 29.848 20.408 ( -0.000 -4.430 0.000) 4.430 20.455 ( -0.000 -5.107 0.000) 5.107 24.157 ( -0.000 34.466 0.000) 34.466 24.779 ( -0.000 -26.691 0.000) 26.691 25.156 ( -0.000 15.407 0.000) 15.407 25.465 ( -0.000 -14.837 0.000) 14.837 27.995 ( -0.000 7.900 0.000) 7.900 28.183 ( -0.000 -10.234 0.000) 10.234 =================== 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 3/32760 10.0 228.301 169.990 169.312 0.000 40.749 0.000 3/32760 20.0 76.113 93.113 60.771 0.000 11.371 0.000 3/32760 30.0 41.812 65.897 36.286 0.000 5.011 0.000 3/32760 40.0 27.964 49.588 25.461 0.000 2.836 0.000 3/32760 50.0 20.736 39.341 19.454 0.000 1.833 0.000 3/32760 60.0 16.370 32.387 15.656 0.000 1.289 0.000 3/32760 70.0 13.463 27.352 13.031 0.000 0.964 0.000 3/32760 80.0 11.392 23.542 11.105 0.000 0.756 0.000 3/32760 90.0 9.843 20.568 9.633 0.000 0.615 0.000 3/32760 100.0 8.643 18.195 8.475 0.000 0.516 0.000 3/32760 110.0 7.689 16.270 7.544 0.000 0.443 0.000 3/32760 120.0 6.915 14.684 6.784 0.000 0.388 0.000 3/32760 130.0 6.276 13.363 6.153 0.000 0.346 0.000 3/32760 140.0 5.742 12.249 5.624 0.000 0.312 0.000 3/32760 150.0 5.290 11.301 5.175 0.000 0.284 0.000 3/32760 160.0 4.903 10.487 4.790 0.000 0.261 0.000 3/32760 170.0 4.568 9.782 4.458 0.000 0.243 0.000 3/32760 180.0 4.277 9.166 4.169 0.000 0.227 0.000 3/32760 190.0 4.022 8.624 3.915 0.000 0.213 0.000 3/32760 200.0 3.796 8.144 3.692 0.000 0.202 0.000 3/32760 210.0 3.596 7.717 3.493 0.000 0.192 0.000 3/32760 220.0 3.416 7.334 3.315 0.000 0.184 0.000 3/32760 230.0 3.254 6.988 3.155 0.000 0.176 0.000 3/32760 240.0 3.108 6.676 3.010 0.000 0.169 0.000 3/32760 250.0 2.975 6.391 2.879 0.000 0.164 0.000 3/32760 260.0 2.854 6.130 2.760 0.000 0.158 0.000 3/32760 270.0 2.743 5.892 2.650 0.000 0.154 0.000 3/32760 280.0 2.641 5.672 2.550 0.000 0.149 0.000 3/32760 290.0 2.546 5.468 2.457 0.000 0.145 0.000 3/32760 300.0 2.459 5.279 2.371 0.000 0.142 0.000 3/32760 310.0 2.377 5.104 2.291 0.000 0.139 0.000 3/32760 320.0 2.301 4.940 2.217 0.000 0.135 0.000 3/32760 330.0 2.231 4.787 2.148 0.000 0.133 0.000 3/32760 340.0 2.164 4.644 2.083 0.000 0.130 0.000 3/32760 350.0 2.102 4.509 2.022 0.000 0.127 0.000 3/32760 360.0 2.043 4.382 1.965 0.000 0.125 0.000 3/32760 370.0 1.988 4.262 1.911 0.000 0.123 0.000 3/32760 380.0 1.936 4.149 1.861 0.000 0.120 0.000 3/32760 390.0 1.886 4.042 1.812 0.000 0.118 0.000 3/32760 400.0 1.839 3.941 1.767 0.000 0.116 0.000 3/32760 410.0 1.795 3.844 1.724 0.000 0.114 0.000 3/32760 420.0 1.752 3.753 1.683 0.000 0.113 0.000 3/32760 430.0 1.712 3.665 1.643 0.000 0.111 0.000 3/32760 440.0 1.674 3.582 1.606 0.000 0.109 0.000 3/32760 450.0 1.637 3.502 1.571 0.000 0.107 0.000 3/32760 460.0 1.602 3.426 1.537 0.000 0.106 0.000 3/32760 470.0 1.568 3.354 1.504 0.000 0.104 0.000 3/32760 480.0 1.536 3.284 1.473 0.000 0.103 0.000 3/32760 490.0 1.505 3.217 1.443 0.000 0.101 0.000 3/32760 500.0 1.476 3.153 1.415 0.000 0.100 0.000 3/32760 510.0 1.447 3.092 1.387 0.000 0.098 0.000 3/32760 520.0 1.420 3.033 1.361 0.000 0.097 0.000 3/32760 530.0 1.393 2.976 1.335 0.000 0.095 0.000 3/32760 540.0 1.368 2.921 1.311 0.000 0.094 0.000 3/32760 550.0 1.344 2.868 1.287 0.000 0.093 0.000 3/32760 560.0 1.320 2.818 1.265 0.000 0.092 0.000 3/32760 570.0 1.297 2.768 1.243 0.000 0.090 0.000 3/32760 580.0 1.275 2.721 1.222 0.000 0.089 0.000 3/32760 590.0 1.254 2.675 1.201 0.000 0.088 0.000 3/32760 600.0 1.234 2.631 1.181 0.000 0.087 0.000 3/32760 610.0 1.214 2.588 1.162 0.000 0.086 0.000 3/32760 620.0 1.194 2.547 1.144 0.000 0.085 0.000 3/32760 630.0 1.176 2.507 1.126 0.000 0.084 0.000 3/32760 640.0 1.158 2.468 1.108 0.000 0.083 0.000 3/32760 650.0 1.140 2.430 1.092 0.000 0.082 0.000 3/32760 660.0 1.123 2.394 1.075 0.000 0.081 0.000 3/32760 670.0 1.107 2.358 1.059 0.000 0.080 0.000 3/32760 680.0 1.091 2.324 1.044 0.000 0.079 0.000 3/32760 690.0 1.075 2.290 1.029 0.000 0.078 0.000 3/32760 700.0 1.060 2.258 1.015 0.000 0.077 0.000 3/32760 710.0 1.045 2.226 1.000 0.000 0.076 0.000 3/32760 720.0 1.031 2.195 0.987 0.000 0.075 0.000 3/32760 730.0 1.017 2.166 0.973 0.000 0.074 0.000 3/32760 740.0 1.004 2.137 0.960 0.000 0.074 0.000 3/32760 750.0 0.991 2.108 0.948 0.000 0.073 0.000 3/32760 760.0 0.978 2.081 0.935 0.000 0.072 0.000 3/32760 770.0 0.965 2.054 0.923 0.000 0.071 0.000 3/32760 780.0 0.953 2.028 0.912 0.000 0.070 0.000 3/32760 790.0 0.941 2.002 0.900 0.000 0.070 0.000 3/32760 800.0 0.930 1.977 0.889 0.000 0.069 0.000 3/32760 810.0 0.918 1.953 0.878 0.000 0.068 0.000 3/32760 820.0 0.907 1.930 0.868 0.000 0.067 0.000 3/32760 830.0 0.896 1.906 0.857 0.000 0.067 0.000 3/32760 840.0 0.886 1.884 0.847 0.000 0.066 0.000 3/32760 850.0 0.876 1.862 0.837 0.000 0.065 0.000 3/32760 860.0 0.866 1.840 0.828 0.000 0.065 0.000 3/32760 870.0 0.856 1.819 0.818 0.000 0.064 0.000 3/32760 880.0 0.846 1.799 0.809 0.000 0.064 0.000 3/32760 890.0 0.837 1.779 0.800 0.000 0.063 0.000 3/32760 900.0 0.828 1.759 0.791 0.000 0.062 0.000 3/32760 910.0 0.819 1.740 0.783 0.000 0.062 0.000 3/32760 920.0 0.810 1.721 0.774 0.000 0.061 0.000 3/32760 930.0 0.801 1.703 0.766 0.000 0.061 0.000 3/32760 940.0 0.793 1.685 0.758 0.000 0.060 0.000 3/32760 950.0 0.785 1.667 0.750 0.000 0.059 0.000 3/32760 960.0 0.777 1.650 0.742 0.000 0.059 0.000 3/32760 970.0 0.769 1.633 0.735 0.000 0.058 0.000 3/32760 980.0 0.761 1.616 0.727 0.000 0.058 0.000 3/32760 990.0 0.753 1.600 0.720 0.000 0.057 0.000 3/32760 1000.0 0.746 1.584 0.713 0.000 0.057 0.000 3/32760 Thermal conductivity related properties were written into "kappa-m1076.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:07:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|