----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:34:03]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.820640570013857 -6.617047835000000 0.000000000000000 b 3.820640570013857 6.617047835000000 0.000000000000000 c -2.547054762842774 0.000000000000000 14.288539850156726 Atomic positions (fractional): *1 Ba 0.75831367734083 0.75831367734083 0.23835736752348 137.327 *2 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 3 Ba 0.24168632265917 0.24168632265917 0.76164263247652 137.327 *4 Ba 0.60007026039577 0.92081974321834 0.76196874386056 137.327 5 Ba 0.07918025678166 0.39992973960423 0.23803125613944 137.327 *6 Ba 0.83047540985622 0.16952459014378 0.50000000000000 137.327 7 Ba 0.39992973960423 0.07918025678166 0.23803125613944 137.327 8 Ba 0.16952459014378 0.83047540985622 0.50000000000000 137.327 9 Ba 0.92081974321834 0.60007026039577 0.76196874386056 137.327 *10 Nd 0.33337268892966 0.66662731107034 0.00000000000000 144.242 11 Nd 0.66662731107034 0.33337268892966 0.00000000000000 144.242 *12 S 0.40286372051041 0.40286372051041 0.10872193040604 32.065 *13 S 0.12397183136709 0.12397183136709 0.37376218631124 32.065 *14 S 0.66935079953959 0.03626040221016 0.10876029677041 32.065 15 S 0.87602816863291 0.87602816863291 0.62623781368876 32.065 *16 S 0.45601381413243 0.78882575038623 0.36690340157782 32.065 17 S 0.59713627948959 0.59713627948959 0.89127806959397 32.065 18 S 0.03626040221016 0.66935079953959 0.10876029677041 32.065 19 S 0.21117424961377 0.54398618586757 0.63309659842218 32.065 20 S 0.78882575038623 0.45601381413243 0.36690340157782 32.065 21 S 0.96373959778984 0.33064920046041 0.89123970322959 32.065 22 S 0.54398618586757 0.21117424961377 0.63309659842218 32.065 23 S 0.33064920046041 0.96373959778984 0.89123970322959 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.641281140027714 0.000000000000000 0.000000000000000 b 0.000000000000000 13.234095670000000 0.000000000000000 c -2.547054762842774 0.000000000000000 14.288539850156726 Atomic positions (fractional): *1 Ba 0.75831367734083 0.00000000000000 0.23835736752348 137.327 > 1 *2 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 2 3 Ba 0.24168632265917 0.00000000000000 0.76164263247652 137.327 > 3 *4 Ba 0.76044500180705 0.16037474141128 0.76196874386056 137.327 > 4 5 Ba 0.23955499819295 0.16037474141128 0.23803125613944 137.327 > 5 *6 Ba 0.50000000000000 0.66952459014378 0.50000000000000 137.327 > 6 7 Ba 0.23955499819295 0.83962525858872 0.23803125613944 137.327 > 7 8 Ba 0.50000000000000 0.33047540985622 0.50000000000000 137.327 > 8 9 Ba 0.76044500180705 0.83962525858872 0.76196874386056 137.327 > 9 10 Ba 0.25831367734083 0.50000000000000 0.23835736752348 137.327 > 1 11 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 2 12 Ba 0.74168632265917 0.50000000000000 0.76164263247652 137.327 > 3 13 Ba 0.26044500180705 0.66037474141128 0.76196874386056 137.327 > 4 14 Ba 0.73955499819295 0.66037474141128 0.23803125613944 137.327 > 5 15 Ba 0.00000000000000 0.16952459014378 0.50000000000000 137.327 > 6 16 Ba 0.73955499819295 0.33962525858872 0.23803125613944 137.327 > 7 17 Ba 0.00000000000000 0.83047540985622 0.50000000000000 137.327 > 8 18 Ba 0.26044500180705 0.33962525858872 0.76196874386056 137.327 > 9 *19 Nd 0.50000000000000 0.16662731107034 0.00000000000000 144.242 > 10 20 Nd 0.50000000000000 0.83337268892966 0.00000000000000 144.242 > 11 21 Nd 0.00000000000000 0.66662731107034 0.00000000000000 144.242 > 10 22 Nd 0.00000000000000 0.33337268892966 0.00000000000000 144.242 > 11 *23 S 0.40286372051041 0.00000000000000 0.10872193040604 32.065 > 12 *24 S 0.12397183136709 0.00000000000000 0.37376218631124 32.065 > 13 *25 S 0.35280560087488 0.68345480133529 0.10876029677041 32.065 > 14 26 S 0.87602816863291 0.00000000000000 0.62623781368876 32.065 > 15 *27 S 0.62241978225933 0.16640596812690 0.36690340157782 32.065 > 16 28 S 0.59713627948959 0.00000000000000 0.89127806959397 32.065 > 17 29 S 0.35280560087488 0.31654519866471 0.10876029677041 32.065 > 18 30 S 0.37758021774067 0.16640596812690 0.63309659842218 32.065 > 19 31 S 0.62241978225933 0.83359403187310 0.36690340157782 32.065 > 20 32 S 0.64719439912512 0.68345480133529 0.89123970322959 32.065 > 21 33 S 0.37758021774067 0.83359403187310 0.63309659842218 32.065 > 22 34 S 0.64719439912512 0.31654519866471 0.89123970322959 32.065 > 23 35 S 0.90286372051041 0.50000000000000 0.10872193040604 32.065 > 12 36 S 0.62397183136709 0.50000000000000 0.37376218631124 32.065 > 13 37 S 0.85280560087488 0.18345480133529 0.10876029677041 32.065 > 14 38 S 0.37602816863291 0.50000000000000 0.62623781368876 32.065 > 15 39 S 0.12241978225933 0.66640596812690 0.36690340157782 32.065 > 16 40 S 0.09713627948959 0.50000000000000 0.89127806959397 32.065 > 17 41 S 0.85280560087488 0.81654519866471 0.10876029677041 32.065 > 18 42 S 0.87758021774067 0.66640596812690 0.63309659842218 32.065 > 19 43 S 0.12241978225933 0.33359403187310 0.36690340157782 32.065 > 20 44 S 0.14719439912512 0.18345480133529 0.89123970322959 32.065 > 21 45 S 0.87758021774067 0.33359403187310 0.63309659842218 32.065 > 22 46 S 0.14719439912512 0.81654519866471 0.89123970322959 32.065 > 23 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.282562280055428 0.000000000000000 0.000000000000000 b 0.000000000000000 13.234095670000000 0.000000000000000 c -2.547054762842774 0.000000000000000 14.288539850156726 Atomic positions (fractional): *1 Ba 0.37915683867042 0.00000000000000 0.23835736752348 137.327 > 1 2 Ba 0.87915683867042 0.00000000000000 0.23835736752348 137.327 > 1 *3 Ba 0.25000000000000 0.00000000000000 0.50000000000000 137.327 > 2 4 Ba 0.75000000000000 0.00000000000000 0.50000000000000 137.327 > 2 5 Ba 0.12084316132958 0.00000000000000 0.76164263247652 137.327 > 3 6 Ba 0.62084316132958 0.00000000000000 0.76164263247652 137.327 > 3 *7 Ba 0.38022250090353 0.16037474141128 0.76196874386056 137.327 > 4 8 Ba 0.88022250090353 0.16037474141128 0.76196874386056 137.327 > 4 9 Ba 0.11977749909647 0.16037474141128 0.23803125613944 137.327 > 5 10 Ba 0.61977749909647 0.16037474141128 0.23803125613944 137.327 > 5 *11 Ba 0.25000000000000 0.66952459014378 0.50000000000000 137.327 > 6 12 Ba 0.75000000000000 0.66952459014378 0.50000000000000 137.327 > 6 13 Ba 0.11977749909647 0.83962525858872 0.23803125613944 137.327 > 7 14 Ba 0.61977749909647 0.83962525858872 0.23803125613944 137.327 > 7 15 Ba 0.25000000000000 0.33047540985622 0.50000000000000 137.327 > 8 16 Ba 0.75000000000000 0.33047540985622 0.50000000000000 137.327 > 8 17 Ba 0.38022250090353 0.83962525858872 0.76196874386056 137.327 > 9 18 Ba 0.88022250090353 0.83962525858872 0.76196874386056 137.327 > 9 19 Ba 0.12915683867042 0.50000000000000 0.23835736752348 137.327 > 1 20 Ba 0.62915683867042 0.50000000000000 0.23835736752348 137.327 > 1 21 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 2 22 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 2 23 Ba 0.37084316132958 0.50000000000000 0.76164263247652 137.327 > 3 24 Ba 0.87084316132958 0.50000000000000 0.76164263247652 137.327 > 3 25 Ba 0.13022250090353 0.66037474141128 0.76196874386056 137.327 > 4 26 Ba 0.63022250090353 0.66037474141128 0.76196874386056 137.327 > 4 27 Ba 0.36977749909647 0.66037474141128 0.23803125613944 137.327 > 5 28 Ba 0.86977749909647 0.66037474141128 0.23803125613944 137.327 > 5 29 Ba 0.00000000000000 0.16952459014378 0.50000000000000 137.327 > 6 30 Ba 0.50000000000000 0.16952459014378 0.50000000000000 137.327 > 6 31 Ba 0.36977749909647 0.33962525858872 0.23803125613944 137.327 > 7 32 Ba 0.86977749909647 0.33962525858872 0.23803125613944 137.327 > 7 33 Ba 0.00000000000000 0.83047540985622 0.50000000000000 137.327 > 8 34 Ba 0.50000000000000 0.83047540985622 0.50000000000000 137.327 > 8 35 Ba 0.13022250090353 0.33962525858872 0.76196874386056 137.327 > 9 36 Ba 0.63022250090353 0.33962525858872 0.76196874386056 137.327 > 9 *37 Nd 0.25000000000000 0.16662731107034 0.00000000000000 144.242 > 10 38 Nd 0.75000000000000 0.16662731107034 0.00000000000000 144.242 > 10 39 Nd 0.25000000000000 0.83337268892966 0.00000000000000 144.242 > 11 40 Nd 0.75000000000000 0.83337268892966 0.00000000000000 144.242 > 11 41 Nd 0.00000000000000 0.66662731107034 0.00000000000000 144.242 > 10 42 Nd 0.50000000000000 0.66662731107034 0.00000000000000 144.242 > 10 43 Nd 0.00000000000000 0.33337268892966 0.00000000000000 144.242 > 11 44 Nd 0.50000000000000 0.33337268892966 0.00000000000000 144.242 > 11 *45 S 0.20143186025520 0.00000000000000 0.10872193040604 32.065 > 12 46 S 0.70143186025520 0.00000000000000 0.10872193040604 32.065 > 12 *47 S 0.06198591568355 0.00000000000000 0.37376218631124 32.065 > 13 48 S 0.56198591568355 0.00000000000000 0.37376218631124 32.065 > 13 *49 S 0.17640280043744 0.68345480133529 0.10876029677041 32.065 > 14 50 S 0.67640280043744 0.68345480133529 0.10876029677041 32.065 > 14 51 S 0.43801408431645 0.00000000000000 0.62623781368876 32.065 > 15 52 S 0.93801408431645 0.00000000000000 0.62623781368876 32.065 > 15 *53 S 0.31120989112966 0.16640596812690 0.36690340157782 32.065 > 16 54 S 0.81120989112966 0.16640596812690 0.36690340157782 32.065 > 16 55 S 0.29856813974480 0.00000000000000 0.89127806959397 32.065 > 17 56 S 0.79856813974480 0.00000000000000 0.89127806959397 32.065 > 17 57 S 0.17640280043744 0.31654519866471 0.10876029677041 32.065 > 18 58 S 0.67640280043744 0.31654519866471 0.10876029677041 32.065 > 18 59 S 0.18879010887034 0.16640596812690 0.63309659842218 32.065 > 19 60 S 0.68879010887034 0.16640596812690 0.63309659842218 32.065 > 19 61 S 0.31120989112966 0.83359403187310 0.36690340157782 32.065 > 20 62 S 0.81120989112966 0.83359403187310 0.36690340157782 32.065 > 20 63 S 0.32359719956256 0.68345480133529 0.89123970322959 32.065 > 21 64 S 0.82359719956256 0.68345480133529 0.89123970322959 32.065 > 21 65 S 0.18879010887034 0.83359403187310 0.63309659842218 32.065 > 22 66 S 0.68879010887034 0.83359403187310 0.63309659842218 32.065 > 22 67 S 0.32359719956256 0.31654519866471 0.89123970322959 32.065 > 23 68 S 0.82359719956256 0.31654519866471 0.89123970322959 32.065 > 23 69 S 0.45143186025520 0.50000000000000 0.10872193040604 32.065 > 12 70 S 0.95143186025520 0.50000000000000 0.10872193040604 32.065 > 12 71 S 0.31198591568355 0.50000000000000 0.37376218631124 32.065 > 13 72 S 0.81198591568355 0.50000000000000 0.37376218631124 32.065 > 13 73 S 0.42640280043744 0.18345480133529 0.10876029677041 32.065 > 14 74 S 0.92640280043744 0.18345480133529 0.10876029677041 32.065 > 14 75 S 0.18801408431645 0.50000000000000 0.62623781368876 32.065 > 15 76 S 0.68801408431645 0.50000000000000 0.62623781368876 32.065 > 15 77 S 0.06120989112966 0.66640596812690 0.36690340157782 32.065 > 16 78 S 0.56120989112966 0.66640596812690 0.36690340157782 32.065 > 16 79 S 0.04856813974480 0.50000000000000 0.89127806959397 32.065 > 17 80 S 0.54856813974480 0.50000000000000 0.89127806959397 32.065 > 17 81 S 0.42640280043744 0.81654519866471 0.10876029677041 32.065 > 18 82 S 0.92640280043744 0.81654519866471 0.10876029677041 32.065 > 18 83 S 0.43879010887034 0.66640596812690 0.63309659842218 32.065 > 19 84 S 0.93879010887034 0.66640596812690 0.63309659842218 32.065 > 19 85 S 0.06120989112966 0.33359403187310 0.36690340157782 32.065 > 20 86 S 0.56120989112966 0.33359403187310 0.36690340157782 32.065 > 20 87 S 0.07359719956256 0.18345480133529 0.89123970322959 32.065 > 21 88 S 0.57359719956256 0.18345480133529 0.89123970322959 32.065 > 21 89 S 0.43879010887034 0.33359403187310 0.63309659842218 32.065 > 22 90 S 0.93879010887034 0.33359403187310 0.63309659842218 32.065 > 22 91 S 0.07359719956256 0.81654519866471 0.89123970322959 32.065 > 23 92 S 0.57359719956256 0.81654519866471 0.89123970322959 32.065 > 23 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3178824 0.0000000 0.0054033 0.0000000 5.3036681 0.0000000 0.0054046 0.0000000 5.4502233 -------------------------- Born effective charges -------------------------- 1 Ba 2.3133462 0.0000000 0.1250965 0.0000000 2.8612309 -0.0000000 0.1555544 -0.0000000 2.8500414 2 Ba 2.6177825 0.0000000 -0.0066311 0.0000000 2.5752061 -0.0000000 0.0147287 -0.0000000 2.8276512 3 Ba 2.3133462 0.0000000 0.1250965 0.0000000 2.8612309 -0.0000000 0.1555544 -0.0000000 2.8500414 4 Ba 2.7179748 0.2415979 -0.0626826 0.2389719 2.4408077 0.1057618 -0.0848800 0.1274767 2.8468482 5 Ba 2.7179748 -0.2415979 -0.0626826 -0.2389719 2.4408077 -0.1057618 -0.0848800 -0.1274767 2.8468482 6 Ba 2.5858872 0.0000000 0.0047863 0.0000000 2.6102326 -0.0000000 -0.0160252 -0.0000000 2.8248423 7 Ba 2.7179748 0.2415979 -0.0626826 0.2389719 2.4408077 0.1057618 -0.0848800 0.1274767 2.8468482 8 Ba 2.5858872 0.0000000 0.0047863 0.0000000 2.6102326 -0.0000000 -0.0160252 -0.0000000 2.8248423 9 Ba 2.7179748 -0.2415979 -0.0626826 -0.2389719 2.4408077 -0.1057618 -0.0848800 -0.1274767 2.8468482 10 Nd 4.0960734 0.0000000 -0.0024415 0.0000000 4.0800842 -0.0000000 -0.0077196 -0.0000000 3.4189906 11 Nd 4.0960734 0.0000000 -0.0024415 0.0000000 4.0800842 -0.0000000 -0.0077196 -0.0000000 3.4189906 12 S -1.9737960 0.0000000 0.5152119 0.0000000 -3.3152980 -0.0000000 0.5314326 -0.0000000 -2.5747547 13 S -2.5893790 0.0000000 -0.0007975 0.0000000 -2.6153045 -0.0000000 0.0044505 -0.0000000 -2.8686822 14 S -3.0005001 -0.5824992 -0.2553376 -0.5731318 -2.3155363 0.4366631 -0.2593298 0.4496931 -2.5863903 15 S -2.5893790 0.0000000 -0.0007975 0.0000000 -2.6153045 -0.0000000 0.0044505 -0.0000000 -2.8686822 16 S -2.5879863 -0.0250728 -0.0012500 0.0125466 -2.5795455 -0.0132694 0.0066814 -0.0194167 -2.7925894 17 S -1.9737960 0.0000000 0.5152119 0.0000000 -3.3152980 -0.0000000 0.5314326 -0.0000000 -2.5747547 18 S -3.0005001 0.5824992 -0.2553376 0.5731318 -2.3155363 -0.4366631 -0.2593298 -0.4496931 -2.5863903 19 S -2.5879863 0.0250728 -0.0012500 -0.0125466 -2.5795455 0.0132694 0.0066814 0.0194167 -2.7925894 20 S -2.5879863 0.0250728 -0.0012500 -0.0125466 -2.5795455 0.0132694 0.0066814 0.0194167 -2.7925894 21 S -3.0005001 0.5824992 -0.2553376 0.5731318 -2.3155363 -0.4366631 -0.2593298 -0.4496931 -2.5863903 22 S -2.5879863 -0.0250728 -0.0012500 0.0125466 -2.5795455 -0.0132694 0.0066814 -0.0194167 -2.7925894 23 S -3.0005001 -0.5824992 -0.2553376 -0.5731318 -2.3155363 0.4366631 -0.2593298 0.4496931 -2.5863903 ---------------------------------------------------------------------------- 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: 276/276 Permutation basis: 11652/11652 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2517 Number of blocks in projector: 2517 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: 591 Use submatrix version of eigh solver. (1) Block: 591 / 591 (2) Block: 250 / 591 (2) 233 eigenvectors found. (2) Block: 500 / 591 (2) 237 eigenvectors found. (2) Block: 591 / 591 (2) 86 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 330 Use standard eigh solver. Tree of FC basis block matrices: - (2517, 2461), data: False |-- (330, 321), data: True |-- (330, 321), data: True |-- (330, 321), data: True |-- (468, 462), data: True |-- (468, 462), data: True |-- (591, 574), data: False |-- (591, 574), data: False |-- (591, 18), data: (591, 35) @ (35, 18) |-- (91, 86), data: True |-- (250, 237), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 92 / 92 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.588 Solver_block: 200 / 720 - Time: 0.508 Solver_block: 300 / 720 - Time: 0.500 Solver_block: 400 / 720 - Time: 0.496 Solver_block: 500 / 720 - Time: 0.499 Solver_block: 600 / 720 - Time: 0.502 Solver_block: 700 / 720 - Time: 0.501 Solver_block: 720 / 720 - Time: 0.203 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.975 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 276/276 Permutation basis: 11652/11652 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2517 Number of blocks in projector: 2517 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: 591 Use submatrix version of eigh solver. (1) Block: 591 / 591 (2) Block: 250 / 591 (2) 233 eigenvectors found. (2) Block: 500 / 591 (2) 237 eigenvectors found. (2) Block: 591 / 591 (2) 86 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 330 Use standard eigh solver. Tree of FC basis block matrices: - (2517, 2461), data: False |-- (330, 321), data: True |-- (330, 321), data: True |-- (330, 321), data: True |-- (468, 462), data: True |-- (468, 462), data: True |-- (591, 574), data: False |-- (591, 574), data: False |-- (591, 18), data: (591, 35) @ (35, 18) |-- (91, 86), data: True |-- (250, 237), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:34:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:34:33]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.820640570013857 -6.617047835000000 0.000000000000000 b 3.820640570013857 6.617047835000000 0.000000000000000 c -2.547054762842774 0.000000000000000 14.288539850156726 Atomic positions (fractional): 1 Ba 0.75831367734083 0.75831367734083 0.23835736752348 137.327 2 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 3 Ba 0.24168632265917 0.24168632265917 0.76164263247652 137.327 4 Ba 0.60007026039577 0.92081974321834 0.76196874386056 137.327 5 Ba 0.07918025678166 0.39992973960423 0.23803125613944 137.327 6 Ba 0.83047540985622 0.16952459014378 0.50000000000000 137.327 7 Ba 0.39992973960423 0.07918025678166 0.23803125613944 137.327 8 Ba 0.16952459014378 0.83047540985622 0.50000000000000 137.327 9 Ba 0.92081974321834 0.60007026039577 0.76196874386056 137.327 10 Nd 0.33337268892966 0.66662731107034 0.00000000000000 144.242 11 Nd 0.66662731107034 0.33337268892966 0.00000000000000 144.242 12 S 0.40286372051041 0.40286372051041 0.10872193040604 32.065 13 S 0.12397183136709 0.12397183136709 0.37376218631124 32.065 14 S 0.66935079953959 0.03626040221016 0.10876029677041 32.065 15 S 0.87602816863291 0.87602816863291 0.62623781368876 32.065 16 S 0.45601381413243 0.78882575038623 0.36690340157782 32.065 17 S 0.59713627948959 0.59713627948959 0.89127806959397 32.065 18 S 0.03626040221016 0.66935079953959 0.10876029677041 32.065 19 S 0.21117424961377 0.54398618586757 0.63309659842218 32.065 20 S 0.78882575038623 0.45601381413243 0.36690340157782 32.065 21 S 0.96373959778984 0.33064920046041 0.89123970322959 32.065 22 S 0.54398618586757 0.21117424961377 0.63309659842218 32.065 23 S 0.33064920046041 0.96373959778984 0.89123970322959 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.282562280055428 0.000000000000000 0.000000000000000 b 0.000000000000000 13.234095670000000 0.000000000000000 c -2.547054762842774 0.000000000000000 14.288539850156726 Atomic positions (fractional): 1 Ba 0.37915683867042 0.00000000000000 0.23835736752348 137.327 > 1 2 Ba 0.87915683867042 0.00000000000000 0.23835736752348 137.327 > 1 3 Ba 0.25000000000000 0.00000000000000 0.50000000000000 137.327 > 3 4 Ba 0.75000000000000 0.00000000000000 0.50000000000000 137.327 > 3 5 Ba 0.12084316132958 0.00000000000000 0.76164263247652 137.327 > 5 6 Ba 0.62084316132958 0.00000000000000 0.76164263247652 137.327 > 5 7 Ba 0.38022250090353 0.16037474141128 0.76196874386056 137.327 > 7 8 Ba 0.88022250090353 0.16037474141128 0.76196874386056 137.327 > 7 9 Ba 0.11977749909647 0.16037474141128 0.23803125613944 137.327 > 9 10 Ba 0.61977749909647 0.16037474141128 0.23803125613944 137.327 > 9 11 Ba 0.25000000000000 0.66952459014378 0.50000000000000 137.327 > 11 12 Ba 0.75000000000000 0.66952459014378 0.50000000000000 137.327 > 11 13 Ba 0.11977749909647 0.83962525858872 0.23803125613944 137.327 > 13 14 Ba 0.61977749909647 0.83962525858872 0.23803125613944 137.327 > 13 15 Ba 0.25000000000000 0.33047540985622 0.50000000000000 137.327 > 15 16 Ba 0.75000000000000 0.33047540985622 0.50000000000000 137.327 > 15 17 Ba 0.38022250090353 0.83962525858872 0.76196874386056 137.327 > 17 18 Ba 0.88022250090353 0.83962525858872 0.76196874386056 137.327 > 17 19 Ba 0.12915683867042 0.50000000000000 0.23835736752348 137.327 > 1 20 Ba 0.62915683867042 0.50000000000000 0.23835736752348 137.327 > 1 21 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 3 22 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 3 23 Ba 0.37084316132958 0.50000000000000 0.76164263247652 137.327 > 5 24 Ba 0.87084316132958 0.50000000000000 0.76164263247652 137.327 > 5 25 Ba 0.13022250090353 0.66037474141128 0.76196874386056 137.327 > 7 26 Ba 0.63022250090353 0.66037474141128 0.76196874386056 137.327 > 7 27 Ba 0.36977749909647 0.66037474141128 0.23803125613944 137.327 > 9 28 Ba 0.86977749909647 0.66037474141128 0.23803125613944 137.327 > 9 29 Ba 0.00000000000000 0.16952459014378 0.50000000000000 137.327 > 11 30 Ba 0.50000000000000 0.16952459014378 0.50000000000000 137.327 > 11 31 Ba 0.36977749909647 0.33962525858872 0.23803125613944 137.327 > 13 32 Ba 0.86977749909647 0.33962525858872 0.23803125613944 137.327 > 13 33 Ba 0.00000000000000 0.83047540985622 0.50000000000000 137.327 > 15 34 Ba 0.50000000000000 0.83047540985622 0.50000000000000 137.327 > 15 35 Ba 0.13022250090353 0.33962525858872 0.76196874386056 137.327 > 17 36 Ba 0.63022250090353 0.33962525858872 0.76196874386056 137.327 > 17 37 Nd 0.25000000000000 0.16662731107034 0.00000000000000 144.242 > 37 38 Nd 0.75000000000000 0.16662731107034 0.00000000000000 144.242 > 37 39 Nd 0.25000000000000 0.83337268892966 0.00000000000000 144.242 > 39 40 Nd 0.75000000000000 0.83337268892966 0.00000000000000 144.242 > 39 41 Nd 0.00000000000000 0.66662731107034 0.00000000000000 144.242 > 37 42 Nd 0.50000000000000 0.66662731107034 0.00000000000000 144.242 > 37 43 Nd 0.00000000000000 0.33337268892966 0.00000000000000 144.242 > 39 44 Nd 0.50000000000000 0.33337268892966 0.00000000000000 144.242 > 39 45 S 0.20143186025520 0.00000000000000 0.10872193040604 32.065 > 45 46 S 0.70143186025520 0.00000000000000 0.10872193040604 32.065 > 45 47 S 0.06198591568355 0.00000000000000 0.37376218631124 32.065 > 47 48 S 0.56198591568355 0.00000000000000 0.37376218631124 32.065 > 47 49 S 0.17640280043744 0.68345480133529 0.10876029677041 32.065 > 49 50 S 0.67640280043744 0.68345480133529 0.10876029677041 32.065 > 49 51 S 0.43801408431645 0.00000000000000 0.62623781368876 32.065 > 51 52 S 0.93801408431645 0.00000000000000 0.62623781368876 32.065 > 51 53 S 0.31120989112966 0.16640596812690 0.36690340157782 32.065 > 53 54 S 0.81120989112966 0.16640596812690 0.36690340157782 32.065 > 53 55 S 0.29856813974480 0.00000000000000 0.89127806959397 32.065 > 55 56 S 0.79856813974480 0.00000000000000 0.89127806959397 32.065 > 55 57 S 0.17640280043744 0.31654519866471 0.10876029677041 32.065 > 57 58 S 0.67640280043744 0.31654519866471 0.10876029677041 32.065 > 57 59 S 0.18879010887034 0.16640596812690 0.63309659842218 32.065 > 59 60 S 0.68879010887034 0.16640596812690 0.63309659842218 32.065 > 59 61 S 0.31120989112966 0.83359403187310 0.36690340157782 32.065 > 61 62 S 0.81120989112966 0.83359403187310 0.36690340157782 32.065 > 61 63 S 0.32359719956256 0.68345480133529 0.89123970322959 32.065 > 63 64 S 0.82359719956256 0.68345480133529 0.89123970322959 32.065 > 63 65 S 0.18879010887034 0.83359403187310 0.63309659842218 32.065 > 65 66 S 0.68879010887034 0.83359403187310 0.63309659842218 32.065 > 65 67 S 0.32359719956256 0.31654519866471 0.89123970322959 32.065 > 67 68 S 0.82359719956256 0.31654519866471 0.89123970322959 32.065 > 67 69 S 0.45143186025520 0.50000000000000 0.10872193040604 32.065 > 45 70 S 0.95143186025520 0.50000000000000 0.10872193040604 32.065 > 45 71 S 0.31198591568355 0.50000000000000 0.37376218631124 32.065 > 47 72 S 0.81198591568355 0.50000000000000 0.37376218631124 32.065 > 47 73 S 0.42640280043744 0.18345480133529 0.10876029677041 32.065 > 49 74 S 0.92640280043744 0.18345480133529 0.10876029677041 32.065 > 49 75 S 0.18801408431645 0.50000000000000 0.62623781368876 32.065 > 51 76 S 0.68801408431645 0.50000000000000 0.62623781368876 32.065 > 51 77 S 0.06120989112966 0.66640596812690 0.36690340157782 32.065 > 53 78 S 0.56120989112966 0.66640596812690 0.36690340157782 32.065 > 53 79 S 0.04856813974480 0.50000000000000 0.89127806959397 32.065 > 55 80 S 0.54856813974480 0.50000000000000 0.89127806959397 32.065 > 55 81 S 0.42640280043744 0.81654519866471 0.10876029677041 32.065 > 57 82 S 0.92640280043744 0.81654519866471 0.10876029677041 32.065 > 57 83 S 0.43879010887034 0.66640596812690 0.63309659842218 32.065 > 59 84 S 0.93879010887034 0.66640596812690 0.63309659842218 32.065 > 59 85 S 0.06120989112966 0.33359403187310 0.36690340157782 32.065 > 61 86 S 0.56120989112966 0.33359403187310 0.36690340157782 32.065 > 61 87 S 0.07359719956256 0.18345480133529 0.89123970322959 32.065 > 63 88 S 0.57359719956256 0.18345480133529 0.89123970322959 32.065 > 63 89 S 0.43879010887034 0.33359403187310 0.63309659842218 32.065 > 65 90 S 0.93879010887034 0.33359403187310 0.63309659842218 32.065 > 65 91 S 0.07359719956256 0.81654519866471 0.89123970322959 32.065 > 67 92 S 0.57359719956256 0.81654519866471 0.89123970322959 32.065 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3178824 0.0000000 0.0054033 0.0000000 5.3036681 0.0000000 0.0054046 0.0000000 5.4502233 -------------------------- Born effective charges -------------------------- 1 Ba 2.3133462 0.0000000 0.1250965 0.0000000 2.8612309 -0.0000000 0.1555544 -0.0000000 2.8500414 2 Ba 2.6177825 0.0000000 -0.0066311 0.0000000 2.5752061 -0.0000000 0.0147287 -0.0000000 2.8276512 3 Ba 2.3133462 0.0000000 0.1250965 0.0000000 2.8612309 -0.0000000 0.1555544 -0.0000000 2.8500414 4 Ba 2.7179748 0.2415979 -0.0626826 0.2389719 2.4408077 0.1057618 -0.0848800 0.1274767 2.8468482 5 Ba 2.7179748 -0.2415979 -0.0626826 -0.2389719 2.4408077 -0.1057618 -0.0848800 -0.1274767 2.8468482 6 Ba 2.5858872 0.0000000 0.0047863 0.0000000 2.6102326 -0.0000000 -0.0160252 -0.0000000 2.8248423 7 Ba 2.7179748 0.2415979 -0.0626826 0.2389719 2.4408077 0.1057618 -0.0848800 0.1274767 2.8468482 8 Ba 2.5858872 0.0000000 0.0047863 0.0000000 2.6102326 -0.0000000 -0.0160252 -0.0000000 2.8248423 9 Ba 2.7179748 -0.2415979 -0.0626826 -0.2389719 2.4408077 -0.1057618 -0.0848800 -0.1274767 2.8468482 10 Nd 4.0960734 0.0000000 -0.0024415 0.0000000 4.0800842 -0.0000000 -0.0077196 -0.0000000 3.4189906 11 Nd 4.0960734 0.0000000 -0.0024415 0.0000000 4.0800842 -0.0000000 -0.0077196 -0.0000000 3.4189906 12 S -1.9737960 0.0000000 0.5152119 0.0000000 -3.3152980 -0.0000000 0.5314326 -0.0000000 -2.5747547 13 S -2.5893790 0.0000000 -0.0007975 0.0000000 -2.6153045 -0.0000000 0.0044505 -0.0000000 -2.8686822 14 S -3.0005001 -0.5824992 -0.2553376 -0.5731318 -2.3155363 0.4366631 -0.2593298 0.4496931 -2.5863903 15 S -2.5893790 0.0000000 -0.0007975 0.0000000 -2.6153045 -0.0000000 0.0044505 -0.0000000 -2.8686822 16 S -2.5879863 -0.0250728 -0.0012500 0.0125466 -2.5795455 -0.0132694 0.0066814 -0.0194167 -2.7925894 17 S -1.9737960 0.0000000 0.5152119 0.0000000 -3.3152980 -0.0000000 0.5314326 -0.0000000 -2.5747547 18 S -3.0005001 0.5824992 -0.2553376 0.5731318 -2.3155363 -0.4366631 -0.2593298 -0.4496931 -2.5863903 19 S -2.5879863 0.0250728 -0.0012500 -0.0125466 -2.5795455 0.0132694 0.0066814 0.0194167 -2.7925894 20 S -2.5879863 0.0250728 -0.0012500 -0.0125466 -2.5795455 0.0132694 0.0066814 0.0194167 -2.7925894 21 S -3.0005001 0.5824992 -0.2553376 0.5731318 -2.3155363 -0.4366631 -0.2593298 -0.4496931 -2.5863903 22 S -2.5879863 -0.0250728 -0.0012500 0.0125466 -2.5795455 -0.0132694 0.0066814 -0.0194167 -2.7925894 23 S -3.0005001 -0.5824992 -0.2553376 -0.5731318 -2.3155363 0.4366631 -0.2593298 0.4496931 -2.5863903 ---------------------------------------------------------------------------- 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 3, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 7, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 11, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 47, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:34:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:34:57]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.820640570013857 -6.617047835000000 0.000000000000000 b 3.820640570013857 6.617047835000000 0.000000000000000 c -2.547054762842774 0.000000000000000 14.288539850156726 Atomic positions (fractional): 1 Ba 0.75831367734083 0.75831367734083 0.23835736752348 137.327 2 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 3 Ba 0.24168632265917 0.24168632265917 0.76164263247652 137.327 4 Ba 0.60007026039577 0.92081974321834 0.76196874386056 137.327 5 Ba 0.07918025678166 0.39992973960423 0.23803125613944 137.327 6 Ba 0.83047540985622 0.16952459014378 0.50000000000000 137.327 7 Ba 0.39992973960423 0.07918025678166 0.23803125613944 137.327 8 Ba 0.16952459014378 0.83047540985622 0.50000000000000 137.327 9 Ba 0.92081974321834 0.60007026039577 0.76196874386056 137.327 10 Nd 0.33337268892966 0.66662731107034 0.00000000000000 144.242 11 Nd 0.66662731107034 0.33337268892966 0.00000000000000 144.242 12 S 0.40286372051041 0.40286372051041 0.10872193040604 32.065 13 S 0.12397183136709 0.12397183136709 0.37376218631124 32.065 14 S 0.66935079953959 0.03626040221016 0.10876029677041 32.065 15 S 0.87602816863291 0.87602816863291 0.62623781368876 32.065 16 S 0.45601381413243 0.78882575038623 0.36690340157782 32.065 17 S 0.59713627948959 0.59713627948959 0.89127806959397 32.065 18 S 0.03626040221016 0.66935079953959 0.10876029677041 32.065 19 S 0.21117424961377 0.54398618586757 0.63309659842218 32.065 20 S 0.78882575038623 0.45601381413243 0.36690340157782 32.065 21 S 0.96373959778984 0.33064920046041 0.89123970322959 32.065 22 S 0.54398618586757 0.21117424961377 0.63309659842218 32.065 23 S 0.33064920046041 0.96373959778984 0.89123970322959 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.282562280055428 0.000000000000000 0.000000000000000 b 0.000000000000000 13.234095670000000 0.000000000000000 c -2.547054762842774 0.000000000000000 14.288539850156726 Atomic positions (fractional): 1 Ba 0.37915683867042 0.00000000000000 0.23835736752348 137.327 > 1 2 Ba 0.87915683867042 0.00000000000000 0.23835736752348 137.327 > 1 3 Ba 0.25000000000000 0.00000000000000 0.50000000000000 137.327 > 3 4 Ba 0.75000000000000 0.00000000000000 0.50000000000000 137.327 > 3 5 Ba 0.12084316132958 0.00000000000000 0.76164263247652 137.327 > 5 6 Ba 0.62084316132958 0.00000000000000 0.76164263247652 137.327 > 5 7 Ba 0.38022250090353 0.16037474141128 0.76196874386056 137.327 > 7 8 Ba 0.88022250090353 0.16037474141128 0.76196874386056 137.327 > 7 9 Ba 0.11977749909647 0.16037474141128 0.23803125613944 137.327 > 9 10 Ba 0.61977749909647 0.16037474141128 0.23803125613944 137.327 > 9 11 Ba 0.25000000000000 0.66952459014378 0.50000000000000 137.327 > 11 12 Ba 0.75000000000000 0.66952459014378 0.50000000000000 137.327 > 11 13 Ba 0.11977749909647 0.83962525858872 0.23803125613944 137.327 > 13 14 Ba 0.61977749909647 0.83962525858872 0.23803125613944 137.327 > 13 15 Ba 0.25000000000000 0.33047540985622 0.50000000000000 137.327 > 15 16 Ba 0.75000000000000 0.33047540985622 0.50000000000000 137.327 > 15 17 Ba 0.38022250090353 0.83962525858872 0.76196874386056 137.327 > 17 18 Ba 0.88022250090353 0.83962525858872 0.76196874386056 137.327 > 17 19 Ba 0.12915683867042 0.50000000000000 0.23835736752348 137.327 > 1 20 Ba 0.62915683867042 0.50000000000000 0.23835736752348 137.327 > 1 21 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 3 22 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 3 23 Ba 0.37084316132958 0.50000000000000 0.76164263247652 137.327 > 5 24 Ba 0.87084316132958 0.50000000000000 0.76164263247652 137.327 > 5 25 Ba 0.13022250090353 0.66037474141128 0.76196874386056 137.327 > 7 26 Ba 0.63022250090353 0.66037474141128 0.76196874386056 137.327 > 7 27 Ba 0.36977749909647 0.66037474141128 0.23803125613944 137.327 > 9 28 Ba 0.86977749909647 0.66037474141128 0.23803125613944 137.327 > 9 29 Ba 0.00000000000000 0.16952459014378 0.50000000000000 137.327 > 11 30 Ba 0.50000000000000 0.16952459014378 0.50000000000000 137.327 > 11 31 Ba 0.36977749909647 0.33962525858872 0.23803125613944 137.327 > 13 32 Ba 0.86977749909647 0.33962525858872 0.23803125613944 137.327 > 13 33 Ba 0.00000000000000 0.83047540985622 0.50000000000000 137.327 > 15 34 Ba 0.50000000000000 0.83047540985622 0.50000000000000 137.327 > 15 35 Ba 0.13022250090353 0.33962525858872 0.76196874386056 137.327 > 17 36 Ba 0.63022250090353 0.33962525858872 0.76196874386056 137.327 > 17 37 Nd 0.25000000000000 0.16662731107034 0.00000000000000 144.242 > 37 38 Nd 0.75000000000000 0.16662731107034 0.00000000000000 144.242 > 37 39 Nd 0.25000000000000 0.83337268892966 0.00000000000000 144.242 > 39 40 Nd 0.75000000000000 0.83337268892966 0.00000000000000 144.242 > 39 41 Nd 0.00000000000000 0.66662731107034 0.00000000000000 144.242 > 37 42 Nd 0.50000000000000 0.66662731107034 0.00000000000000 144.242 > 37 43 Nd 0.00000000000000 0.33337268892966 0.00000000000000 144.242 > 39 44 Nd 0.50000000000000 0.33337268892966 0.00000000000000 144.242 > 39 45 S 0.20143186025520 0.00000000000000 0.10872193040604 32.065 > 45 46 S 0.70143186025520 0.00000000000000 0.10872193040604 32.065 > 45 47 S 0.06198591568355 0.00000000000000 0.37376218631124 32.065 > 47 48 S 0.56198591568355 0.00000000000000 0.37376218631124 32.065 > 47 49 S 0.17640280043744 0.68345480133529 0.10876029677041 32.065 > 49 50 S 0.67640280043744 0.68345480133529 0.10876029677041 32.065 > 49 51 S 0.43801408431645 0.00000000000000 0.62623781368876 32.065 > 51 52 S 0.93801408431645 0.00000000000000 0.62623781368876 32.065 > 51 53 S 0.31120989112966 0.16640596812690 0.36690340157782 32.065 > 53 54 S 0.81120989112966 0.16640596812690 0.36690340157782 32.065 > 53 55 S 0.29856813974480 0.00000000000000 0.89127806959397 32.065 > 55 56 S 0.79856813974480 0.00000000000000 0.89127806959397 32.065 > 55 57 S 0.17640280043744 0.31654519866471 0.10876029677041 32.065 > 57 58 S 0.67640280043744 0.31654519866471 0.10876029677041 32.065 > 57 59 S 0.18879010887034 0.16640596812690 0.63309659842218 32.065 > 59 60 S 0.68879010887034 0.16640596812690 0.63309659842218 32.065 > 59 61 S 0.31120989112966 0.83359403187310 0.36690340157782 32.065 > 61 62 S 0.81120989112966 0.83359403187310 0.36690340157782 32.065 > 61 63 S 0.32359719956256 0.68345480133529 0.89123970322959 32.065 > 63 64 S 0.82359719956256 0.68345480133529 0.89123970322959 32.065 > 63 65 S 0.18879010887034 0.83359403187310 0.63309659842218 32.065 > 65 66 S 0.68879010887034 0.83359403187310 0.63309659842218 32.065 > 65 67 S 0.32359719956256 0.31654519866471 0.89123970322959 32.065 > 67 68 S 0.82359719956256 0.31654519866471 0.89123970322959 32.065 > 67 69 S 0.45143186025520 0.50000000000000 0.10872193040604 32.065 > 45 70 S 0.95143186025520 0.50000000000000 0.10872193040604 32.065 > 45 71 S 0.31198591568355 0.50000000000000 0.37376218631124 32.065 > 47 72 S 0.81198591568355 0.50000000000000 0.37376218631124 32.065 > 47 73 S 0.42640280043744 0.18345480133529 0.10876029677041 32.065 > 49 74 S 0.92640280043744 0.18345480133529 0.10876029677041 32.065 > 49 75 S 0.18801408431645 0.50000000000000 0.62623781368876 32.065 > 51 76 S 0.68801408431645 0.50000000000000 0.62623781368876 32.065 > 51 77 S 0.06120989112966 0.66640596812690 0.36690340157782 32.065 > 53 78 S 0.56120989112966 0.66640596812690 0.36690340157782 32.065 > 53 79 S 0.04856813974480 0.50000000000000 0.89127806959397 32.065 > 55 80 S 0.54856813974480 0.50000000000000 0.89127806959397 32.065 > 55 81 S 0.42640280043744 0.81654519866471 0.10876029677041 32.065 > 57 82 S 0.92640280043744 0.81654519866471 0.10876029677041 32.065 > 57 83 S 0.43879010887034 0.66640596812690 0.63309659842218 32.065 > 59 84 S 0.93879010887034 0.66640596812690 0.63309659842218 32.065 > 59 85 S 0.06120989112966 0.33359403187310 0.36690340157782 32.065 > 61 86 S 0.56120989112966 0.33359403187310 0.36690340157782 32.065 > 61 87 S 0.07359719956256 0.18345480133529 0.89123970322959 32.065 > 63 88 S 0.57359719956256 0.18345480133529 0.89123970322959 32.065 > 63 89 S 0.43879010887034 0.33359403187310 0.63309659842218 32.065 > 65 90 S 0.93879010887034 0.33359403187310 0.63309659842218 32.065 > 65 91 S 0.07359719956256 0.81654519866471 0.89123970322959 32.065 > 67 92 S 0.57359719956256 0.81654519866471 0.89123970322959 32.065 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3178824 0.0000000 0.0054033 0.0000000 5.3036681 0.0000000 0.0054046 0.0000000 5.4502233 -------------------------- Born effective charges -------------------------- 1 Ba 2.3133462 0.0000000 0.1250965 0.0000000 2.8612309 -0.0000000 0.1555544 -0.0000000 2.8500414 2 Ba 2.6177825 0.0000000 -0.0066311 0.0000000 2.5752061 -0.0000000 0.0147287 -0.0000000 2.8276512 3 Ba 2.3133462 0.0000000 0.1250965 0.0000000 2.8612309 -0.0000000 0.1555544 -0.0000000 2.8500414 4 Ba 2.7179748 0.2415979 -0.0626826 0.2389719 2.4408077 0.1057618 -0.0848800 0.1274767 2.8468482 5 Ba 2.7179748 -0.2415979 -0.0626826 -0.2389719 2.4408077 -0.1057618 -0.0848800 -0.1274767 2.8468482 6 Ba 2.5858872 0.0000000 0.0047863 0.0000000 2.6102326 -0.0000000 -0.0160252 -0.0000000 2.8248423 7 Ba 2.7179748 0.2415979 -0.0626826 0.2389719 2.4408077 0.1057618 -0.0848800 0.1274767 2.8468482 8 Ba 2.5858872 0.0000000 0.0047863 0.0000000 2.6102326 -0.0000000 -0.0160252 -0.0000000 2.8248423 9 Ba 2.7179748 -0.2415979 -0.0626826 -0.2389719 2.4408077 -0.1057618 -0.0848800 -0.1274767 2.8468482 10 Nd 4.0960734 0.0000000 -0.0024415 0.0000000 4.0800842 -0.0000000 -0.0077196 -0.0000000 3.4189906 11 Nd 4.0960734 0.0000000 -0.0024415 0.0000000 4.0800842 -0.0000000 -0.0077196 -0.0000000 3.4189906 12 S -1.9737960 0.0000000 0.5152119 0.0000000 -3.3152980 -0.0000000 0.5314326 -0.0000000 -2.5747547 13 S -2.5893790 0.0000000 -0.0007975 0.0000000 -2.6153045 -0.0000000 0.0044505 -0.0000000 -2.8686822 14 S -3.0005001 -0.5824992 -0.2553376 -0.5731318 -2.3155363 0.4366631 -0.2593298 0.4496931 -2.5863903 15 S -2.5893790 0.0000000 -0.0007975 0.0000000 -2.6153045 -0.0000000 0.0044505 -0.0000000 -2.8686822 16 S -2.5879863 -0.0250728 -0.0012500 0.0125466 -2.5795455 -0.0132694 0.0066814 -0.0194167 -2.7925894 17 S -1.9737960 0.0000000 0.5152119 0.0000000 -3.3152980 -0.0000000 0.5314326 -0.0000000 -2.5747547 18 S -3.0005001 0.5824992 -0.2553376 0.5731318 -2.3155363 -0.4366631 -0.2593298 -0.4496931 -2.5863903 19 S -2.5879863 0.0250728 -0.0012500 -0.0125466 -2.5795455 0.0132694 0.0066814 0.0194167 -2.7925894 20 S -2.5879863 0.0250728 -0.0012500 -0.0125466 -2.5795455 0.0132694 0.0066814 0.0194167 -2.7925894 21 S -3.0005001 0.5824992 -0.2553376 0.5731318 -2.3155363 -0.4366631 -0.2593298 -0.4496931 -2.5863903 22 S -2.5879863 -0.0250728 -0.0012500 0.0125466 -2.5795455 -0.0132694 0.0066814 -0.0194167 -2.7925894 23 S -3.0005001 -0.5824992 -0.2553376 -0.5731318 -2.3155363 0.4366631 -0.2593298 0.4496931 -2.5863903 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 3 ] 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: 0.46, Number of G-points: 309, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/57) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 57 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 1.548 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.313 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 5.965 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.055 ( 0.000 0.000 0.000) 0.000 6.184 ( 0.000 0.000 0.000) 0.000 6.221 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.455 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/57) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 13.467 -12.477 10.672) 21.235 0.557 ( 22.227 -19.710 -4.546) 30.053 0.783 ( 36.817 -13.518 12.909) 41.290 1.493 ( -1.664 0.909 -15.215) 15.333 1.565 ( 0.333 -0.947 7.234) 7.303 1.688 ( 1.665 2.873 -3.273) 4.663 1.748 ( 2.448 -2.963 5.102) 6.388 1.980 ( -0.142 0.801 -0.796) 1.138 1.984 ( -1.109 0.229 0.495) 1.236 2.188 ( -1.537 0.194 -0.115) 1.554 2.194 ( -2.871 1.378 2.707) 4.179 2.321 ( -3.552 5.106 -1.686) 6.445 2.346 ( -1.207 2.766 0.497) 3.059 2.373 ( -6.799 4.120 1.381) 8.069 2.400 ( -2.609 -1.944 -2.142) 3.895 2.434 ( -6.735 1.858 -0.317) 6.994 2.485 ( -2.804 2.389 -2.781) 4.616 2.490 ( -0.458 -1.525 0.228) 1.609 2.584 ( -1.943 -1.574 -0.532) 2.557 2.674 ( -0.218 1.307 -0.639) 1.471 2.709 ( 4.783 -0.250 -4.630) 6.662 2.749 ( -4.350 2.096 -3.392) 5.901 2.756 ( -0.795 -1.151 -0.357) 1.444 2.851 ( -5.019 6.495 2.467) 8.570 2.929 ( -2.606 0.488 -5.801) 6.378 2.976 ( 2.854 -3.362 10.854) 11.716 3.147 ( -4.534 1.316 -1.854) 5.072 3.196 ( 3.907 1.660 6.292) 7.590 3.388 ( 3.327 -5.792 -3.993) 7.782 3.457 ( 5.501 -0.808 3.061) 6.346 3.597 ( 0.276 -0.591 0.394) 0.762 3.613 ( 0.916 0.037 -0.110) 0.923 3.977 ( -3.779 1.748 -0.083) 4.164 4.631 ( 2.845 1.383 0.091) 3.165 4.702 ( 1.436 -1.599 2.822) 3.547 4.869 ( 0.295 -1.420 -0.937) 1.727 4.898 ( -1.808 -2.008 3.060) 4.082 4.934 ( 0.066 -0.362 -0.302) 0.476 4.941 ( 2.496 0.048 -2.578) 3.588 5.050 ( -2.505 0.512 0.976) 2.737 5.114 ( -0.232 0.156 -2.502) 2.518 5.172 ( 0.126 3.134 0.841) 3.247 5.225 ( -1.648 0.259 -1.140) 2.020 5.264 ( -3.099 -0.025 -0.167) 3.103 5.318 ( 0.811 -0.778 -0.103) 1.128 5.378 ( -0.655 2.512 0.403) 2.627 5.432 ( -4.132 2.371 0.985) 4.865 5.466 ( -2.804 -0.110 1.679) 3.271 5.479 ( -1.911 0.320 2.256) 2.974 5.483 ( 0.725 0.343 0.222) 0.833 5.513 ( -0.264 -2.007 -0.256) 2.040 5.520 ( 3.887 1.258 0.107) 4.086 5.547 ( 2.928 2.403 -3.107) 4.899 5.603 ( -2.976 -1.936 -1.465) 3.840 5.712 ( 1.034 -0.121 -0.434) 1.128 5.780 ( -2.637 1.223 0.267) 2.919 5.893 ( -3.891 2.506 1.711) 4.934 5.988 ( 0.373 -0.989 0.260) 1.088 6.022 ( -1.058 0.956 0.747) 1.609 6.035 ( -2.801 -0.061 0.900) 2.942 6.142 ( -0.889 6.799 -1.430) 7.005 6.292 ( 3.468 -6.860 -4.610) 8.963 6.346 ( 5.219 -6.156 3.443) 8.774 6.420 ( 10.393 -2.283 0.373) 10.647 7.149 ( -5.764 3.353 0.826) 6.719 7.486 ( 2.573 -1.615 0.092) 3.039 7.500 ( -6.586 3.619 -0.703) 7.547 7.643 ( -8.107 4.385 -1.784) 9.388 7.865 ( 1.368 -1.186 -0.448) 1.865 ======================= Grid point 2 (3/57) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 13.063 -12.015 8.656) 19.746 1.054 ( 18.739 -16.203 -3.493) 25.017 1.425 ( 6.776 -2.186 -14.303) 15.977 1.533 ( 27.486 -10.607 7.660) 30.441 1.627 ( 2.100 -3.851 9.482) 10.448 1.689 ( 5.591 4.371 -7.061) 10.011 1.822 ( 2.212 -1.094 2.702) 3.660 1.922 ( -5.958 2.290 1.150) 6.485 1.974 ( 0.339 0.736 0.628) 1.025 2.088 ( -6.224 5.669 2.340) 8.737 2.154 ( -2.472 0.886 0.377) 2.653 2.198 ( -5.034 1.538 -2.097) 5.666 2.230 ( -6.535 4.058 1.829) 7.907 2.264 ( -5.243 3.781 -1.091) 6.555 2.345 ( -2.317 0.029 -1.058) 2.547 2.362 ( -2.348 1.430 -0.132) 2.752 2.416 ( -3.457 2.255 0.280) 4.138 2.471 ( -7.172 4.748 -0.266) 8.605 2.514 ( -2.593 3.519 3.064) 5.338 2.533 ( -6.795 -0.061 1.657) 6.994 2.609 ( -7.984 -1.016 -0.199) 8.051 2.688 ( -2.191 7.062 -2.220) 7.720 2.727 ( -4.264 -1.518 -5.058) 6.788 2.851 ( 5.993 -2.817 -2.924) 7.239 2.956 ( 6.979 -0.675 -6.842) 9.797 3.049 ( 1.663 -1.484 -1.693) 2.799 3.154 ( 0.672 -5.006 7.090) 8.705 3.303 ( 6.966 1.417 6.997) 9.974 3.423 ( -3.436 -4.447 -3.393) 6.565 3.460 ( -3.709 6.203 2.113) 7.530 3.621 ( 1.887 -0.180 4.227) 4.633 3.676 ( 4.620 -3.281 -2.684) 6.270 3.859 ( -6.816 3.578 -2.195) 8.005 4.681 ( 3.652 -0.694 0.088) 3.718 4.772 ( 3.084 -2.786 3.620) 5.512 4.866 ( -0.836 -0.149 -1.604) 1.814 4.909 ( -2.175 -2.617 0.330) 3.419 4.924 ( -0.226 0.566 0.968) 1.144 4.969 ( -0.011 -1.511 -2.783) 3.166 5.015 ( -1.620 -0.510 1.736) 2.429 5.078 ( -2.094 0.709 -1.592) 2.724 5.142 ( -0.246 2.879 -0.279) 2.903 5.193 ( -1.226 0.507 -1.628) 2.100 5.227 ( -1.274 1.053 -0.153) 1.660 5.283 ( -5.611 3.818 1.043) 6.866 5.334 ( -4.774 2.784 0.466) 5.547 5.340 ( 0.898 -0.372 0.162) 0.985 5.404 ( -3.375 1.350 0.059) 3.636 5.439 ( -1.829 -0.551 1.783) 2.614 5.501 ( 0.507 -0.513 -0.178) 0.742 5.520 ( 0.631 1.666 -0.824) 1.963 5.558 ( 1.886 1.865 -1.640) 3.119 5.583 ( 2.735 -0.145 -0.786) 2.849 5.613 ( 2.543 -0.196 3.179) 4.076 5.714 ( -3.071 0.419 -0.082) 3.101 5.721 ( -0.148 1.181 0.451) 1.273 5.833 ( -3.872 -0.575 2.565) 4.680 5.975 ( -5.728 -0.714 -1.436) 5.948 5.998 ( 0.239 1.082 -0.214) 1.129 6.017 ( 1.452 -0.903 -3.499) 3.894 6.111 ( 6.435 5.945 4.515) 9.856 6.393 ( 3.625 -6.884 -4.373) 8.925 6.537 ( 6.930 -7.573 3.240) 10.765 6.615 ( 9.819 -2.528 -0.491) 10.151 6.980 ( -9.268 5.690 0.964) 10.918 7.302 ( -11.085 5.909 -0.704) 12.581 7.446 ( -9.311 5.077 -1.579) 10.722 7.561 ( 3.731 -2.355 0.182) 4.416 7.865 ( -1.449 0.285 -0.835) 1.696 ======================= Grid point 3 (4/57) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 11.646 -10.733 5.383) 16.727 1.440 ( 14.082 -9.883 -3.078) 17.477 1.513 ( 9.166 -1.854 -8.873) 12.891 1.672 ( -0.942 7.805 -5.427) 9.552 1.727 ( 1.537 -4.933 6.656) 8.426 1.792 ( -2.253 0.212 1.098) 2.515 1.835 ( 0.660 1.286 -3.077) 3.400 1.933 ( -5.470 1.896 4.073) 7.078 1.989 ( 0.678 4.953 -0.720) 5.051 2.040 ( -5.637 1.274 0.913) 5.851 2.076 ( 1.091 -2.059 2.694) 3.561 2.104 ( -1.081 -0.768 -0.375) 1.378 2.148 ( -1.388 4.183 1.160) 4.557 2.213 ( -5.694 6.066 -4.648) 9.530 2.247 ( 10.193 -7.641 3.200) 13.135 2.293 ( -2.490 5.085 2.030) 6.015 2.321 ( -6.085 0.382 0.584) 6.125 2.383 ( 0.684 -3.301 3.712) 5.014 2.428 ( -5.140 2.423 -1.076) 5.783 2.461 ( -0.931 5.580 0.586) 5.687 2.525 ( -4.135 -4.428 1.915) 6.354 2.601 ( -0.012 2.059 1.253) 2.411 2.720 ( 1.222 -1.635 -3.552) 4.097 2.965 ( 4.624 -2.216 -0.809) 5.191 3.026 ( 3.655 1.137 -3.991) 5.530 3.140 ( 6.679 -4.150 -5.046) 9.343 3.194 ( -3.603 -3.412 1.261) 5.120 3.250 ( -12.351 8.771 -1.479) 15.221 3.364 ( -3.123 -3.265 3.761) 5.879 3.431 ( 4.716 1.050 1.839) 5.170 3.661 ( -3.731 3.277 -0.436) 4.985 3.690 ( -0.722 2.111 3.851) 4.451 3.775 ( 2.083 -2.550 -3.088) 4.514 4.758 ( 3.930 -1.507 0.048) 4.209 4.825 ( -2.536 1.183 -2.234) 3.581 4.852 ( 1.084 -1.845 2.172) 3.049 4.890 ( -0.665 -1.058 0.777) 1.471 4.910 ( -1.794 -1.619 -1.497) 2.843 4.958 ( -2.050 -1.116 1.611) 2.836 5.004 ( -1.147 -1.886 0.317) 2.230 5.051 ( -0.136 1.519 0.625) 1.649 5.121 ( 1.067 2.267 -2.290) 3.395 5.150 ( -2.026 1.386 -0.856) 2.599 5.183 ( -2.563 1.657 -0.056) 3.053 5.213 ( -0.859 -0.051 1.305) 1.563 5.238 ( -3.150 2.737 0.219) 4.179 5.337 ( -0.963 -0.706 -0.507) 1.297 5.384 ( 2.051 2.256 1.302) 3.315 5.423 ( -2.258 -1.815 0.893) 3.032 5.489 ( -0.130 2.261 -1.017) 2.483 5.526 ( 1.500 0.770 -0.907) 1.914 5.562 ( 0.535 0.090 -0.599) 0.808 5.605 ( 0.612 0.466 -0.392) 0.863 5.648 ( -3.237 1.202 0.311) 3.467 5.672 ( 3.055 0.053 1.865) 3.580 5.723 ( -0.150 -0.405 0.273) 0.511 5.789 ( -3.157 -1.214 3.903) 5.165 5.862 ( -3.299 3.785 -4.765) 6.922 5.991 ( 0.432 1.031 -0.193) 1.134 6.106 ( 4.598 -6.162 -2.503) 8.086 6.215 ( 7.917 1.868 6.090) 10.161 6.506 ( 4.103 -2.286 -2.633) 5.384 6.696 ( 1.705 -4.150 -0.586) 4.525 6.717 ( -2.590 -1.147 1.809) 3.361 6.841 ( 3.263 -0.735 -2.338) 4.081 7.050 ( -10.958 7.035 1.564) 13.115 7.244 ( -8.699 5.131 -0.792) 10.131 7.642 ( 3.062 -2.195 0.453) 3.794 7.820 ( -2.360 1.192 -0.951) 2.810 ======================= Grid point 4 (5/57) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.000 0.000 -0.000) 0.000 1.534 ( 0.000 -0.000 0.000) 0.000 1.621 ( 0.000 -0.000 -0.000) 0.000 1.664 ( -0.000 0.000 0.000) 0.000 1.718 ( 0.000 -0.000 0.000) 0.000 1.821 ( 0.000 -0.000 -0.000) 0.000 1.831 ( -0.000 0.000 0.000) 0.000 1.878 ( 0.000 -0.000 -0.000) 0.000 1.932 ( -0.000 -0.000 0.000) 0.000 1.990 ( 0.000 -0.000 -0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 -0.000 -0.000) 0.000 2.081 ( 0.000 -0.000 0.000) 0.000 2.175 ( 0.000 -0.000 0.000) 0.000 2.215 ( -0.000 -0.000 -0.000) 0.000 2.268 ( 0.000 -0.000 0.000) 0.000 2.318 ( 0.000 -0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.437 ( -0.000 -0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 -0.000 -0.000) 0.000 2.736 ( 0.000 -0.000 0.000) 0.000 2.821 ( 0.000 -0.000 0.000) 0.000 2.840 ( -0.000 0.000 -0.000) 0.000 3.056 ( 0.000 -0.000 -0.000) 0.000 3.081 ( 0.000 -0.000 -0.000) 0.000 3.141 ( 0.000 -0.000 -0.000) 0.000 3.229 ( 0.000 -0.000 -0.000) 0.000 3.377 ( 0.000 -0.000 0.000) 0.000 3.477 ( 0.000 -0.000 0.000) 0.000 3.543 ( 0.000 -0.000 0.000) 0.000 3.712 ( 0.000 -0.000 -0.000) 0.000 3.804 ( 0.000 -0.000 0.000) 0.000 4.780 ( 0.000 -0.000 0.000) 0.000 4.814 ( 0.000 -0.000 0.000) 0.000 4.850 ( 0.000 -0.000 -0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 -0.000 -0.000) 0.000 4.936 ( -0.000 0.000 0.000) 0.000 5.018 ( 0.000 -0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 -0.000 -0.000) 0.000 5.136 ( 0.000 -0.000 -0.000) 0.000 5.143 ( -0.000 -0.000 0.000) 0.000 5.195 ( 0.000 -0.000 0.000) 0.000 5.216 ( 0.000 0.000 -0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.403 ( -0.000 -0.000 -0.000) 0.000 5.472 ( 0.000 -0.000 0.000) 0.000 5.533 ( 0.000 -0.000 -0.000) 0.000 5.579 ( -0.000 -0.000 0.000) 0.000 5.601 ( -0.000 -0.000 0.000) 0.000 5.605 ( 0.000 0.000 -0.000) 0.000 5.711 ( 0.000 -0.000 0.000) 0.000 5.716 ( -0.000 -0.000 -0.000) 0.000 5.785 ( 0.000 -0.000 0.000) 0.000 5.797 ( 0.000 -0.000 -0.000) 0.000 5.990 ( 0.000 -0.000 0.000) 0.000 6.184 ( 0.000 -0.000 0.000) 0.000 6.359 ( 0.000 -0.000 0.000) 0.000 6.434 ( -0.000 0.000 -0.000) 0.000 6.739 ( -0.000 0.000 0.000) 0.000 6.762 ( 0.000 -0.000 -0.000) 0.000 6.810 ( 0.000 -0.000 -0.000) 0.000 6.987 ( 0.000 -0.000 -0.000) 0.000 7.100 ( 0.000 -0.000 0.000) 0.000 7.687 ( 0.000 -0.000 -0.000) 0.000 7.784 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/57) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 21.188 0.000 -4.662) 21.694 0.776 ( 23.015 0.000 -4.478) 23.447 1.383 ( 25.954 0.000 4.701) 26.377 1.463 ( 12.825 0.000 -5.634) 14.008 1.591 ( 0.747 0.000 8.272) 8.306 1.756 ( 3.787 0.000 -5.763) 6.896 1.789 ( 3.262 0.000 9.833) 10.360 1.950 ( -4.322 -0.000 -0.484) 4.349 1.970 ( -1.371 -0.000 1.329) 1.910 2.140 ( -4.420 -0.000 -1.139) 4.564 2.155 ( -4.338 -0.000 4.126) 5.986 2.228 ( -9.563 -0.000 -0.102) 9.563 2.306 ( -2.182 -0.000 -1.397) 2.591 2.325 ( -2.504 -0.000 -0.143) 2.508 2.327 ( -7.471 -0.000 2.313) 7.821 2.342 ( -2.803 -0.000 -0.079) 2.804 2.443 ( -2.573 -0.000 -6.511) 7.001 2.486 ( -0.676 -0.000 0.950) 1.166 2.500 ( -4.586 -0.000 -2.332) 5.145 2.566 ( -13.859 -0.000 3.305) 14.247 2.648 ( -7.418 -0.000 -0.261) 7.422 2.685 ( -5.833 -0.000 2.808) 6.474 2.775 ( 4.646 0.000 -15.102) 15.801 2.847 ( -0.849 -0.000 3.042) 3.158 2.906 ( 4.412 0.000 -6.055) 7.492 3.043 ( 2.712 0.000 2.128) 3.447 3.111 ( 1.899 0.000 5.086) 5.429 3.333 ( 3.953 0.000 6.929) 7.977 3.381 ( 3.187 0.000 -3.610) 4.815 3.564 ( 4.800 0.000 2.859) 5.587 3.590 ( -1.105 -0.000 -0.785) 1.356 3.609 ( -0.521 -0.000 0.288) 0.595 3.893 ( -6.921 -0.000 -1.622) 7.108 4.680 ( 3.086 0.000 -0.716) 3.168 4.740 ( 2.833 0.000 5.650) 6.320 4.856 ( -2.596 -0.000 2.229) 3.422 4.879 ( 1.417 0.000 -4.667) 4.877 4.935 ( -0.085 -0.000 1.542) 1.545 4.954 ( -0.958 -0.000 -3.105) 3.249 5.009 ( -3.126 -0.000 2.640) 4.092 5.079 ( -1.552 -0.000 -2.820) 3.219 5.186 ( -1.916 -0.000 -2.368) 3.046 5.189 ( -1.019 -0.000 -0.274) 1.055 5.245 ( 0.020 0.000 0.434) 0.434 5.321 ( -0.831 -0.000 1.283) 1.529 5.332 ( -6.737 -0.000 1.481) 6.898 5.349 ( -3.986 -0.000 -0.615) 4.034 5.407 ( -4.767 -0.000 0.953) 4.862 5.463 ( 0.534 0.000 0.120) 0.548 5.487 ( -0.619 -0.000 -0.354) 0.713 5.506 ( 0.496 0.000 -0.162) 0.522 5.590 ( 3.616 0.000 -2.099) 4.181 5.607 ( 2.016 0.000 -0.012) 2.016 5.610 ( 3.392 0.000 3.820) 5.108 5.713 ( -2.001 -0.000 -1.538) 2.524 5.742 ( -1.493 -0.000 1.511) 2.124 5.836 ( -4.495 -0.000 6.427) 7.844 5.919 ( -3.572 -0.000 -3.483) 4.989 5.996 ( -2.079 -0.000 0.097) 2.082 6.051 ( 2.290 0.000 0.118) 2.293 6.258 ( 1.869 0.000 -8.683) 8.882 6.259 ( 4.927 0.000 3.964) 6.324 6.441 ( 8.678 0.000 4.816) 9.925 6.595 ( 10.993 0.000 -1.160) 11.054 7.035 ( -10.186 -0.000 1.144) 10.250 7.358 ( -12.000 -0.000 -1.100) 12.050 7.499 ( -9.923 -0.000 -2.237) 10.172 7.538 ( 4.409 0.000 -0.081) 4.409 7.863 ( -0.897 -0.000 -1.463) 1.716 ======================= Grid point 11 (7/57) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 18.929 2.879 -1.456) 19.202 1.199 ( 18.598 -12.720 -5.622) 23.223 1.505 ( 10.416 0.084 -12.063) 15.938 1.636 ( 0.193 -2.760 6.759) 7.303 1.784 ( 3.853 2.217 -2.787) 5.247 1.819 ( -7.668 2.019 -0.417) 7.940 1.845 ( 2.304 -0.459 6.610) 7.015 1.937 ( -1.175 -0.149 2.543) 2.805 2.014 ( 9.324 0.600 4.337) 10.300 2.045 ( -5.539 3.269 -0.399) 6.443 2.078 ( 1.164 -5.708 0.493) 5.846 2.106 ( -1.181 -1.854 3.083) 3.786 2.159 ( -7.737 5.614 2.344) 9.843 2.247 ( -3.885 4.503 1.215) 6.070 2.285 ( -5.139 -2.466 -1.486) 5.890 2.319 ( -4.452 -1.956 1.018) 4.968 2.353 ( -3.533 3.261 -2.002) 5.209 2.374 ( -6.519 1.573 2.803) 7.269 2.426 ( -3.892 -1.687 -3.098) 5.253 2.456 ( -2.448 -1.012 0.535) 2.702 2.550 ( -1.450 2.384 0.220) 2.799 2.615 ( -3.732 -1.433 4.594) 6.090 2.749 ( 0.421 4.352 2.924) 5.260 2.932 ( 8.553 -0.769 -9.188) 12.577 2.999 ( 5.673 -5.220 -7.837) 10.993 3.074 ( 2.275 -0.098 -2.399) 3.307 3.175 ( 2.116 0.247 4.857) 5.303 3.322 ( -2.785 -0.908 1.176) 3.157 3.440 ( -7.754 10.331 -3.005) 13.262 3.486 ( 6.630 3.419 4.106) 8.515 3.611 ( -1.934 -6.766 -4.881) 8.564 3.693 ( 3.101 -3.747 5.582) 7.404 3.754 ( -7.996 1.730 -1.194) 8.267 4.737 ( 3.923 -0.430 -0.709) 4.010 4.814 ( 1.098 -0.830 2.685) 3.017 4.834 ( -0.068 -2.627 1.960) 3.278 4.864 ( -2.229 1.321 -2.133) 3.356 4.890 ( -3.673 -0.943 -2.082) 4.326 4.944 ( 0.608 -0.418 1.183) 1.394 4.968 ( -2.887 -1.405 1.034) 3.373 5.073 ( 0.446 0.498 -0.470) 0.817 5.148 ( -2.374 0.474 -0.300) 2.439 5.156 ( -1.333 -0.117 -3.186) 3.456 5.228 ( -2.057 2.378 -0.537) 3.190 5.239 ( -2.894 1.700 1.786) 3.802 5.265 ( -3.691 0.656 0.463) 3.777 5.315 ( -1.924 -1.513 -1.367) 2.803 5.375 ( -0.748 -1.381 3.348) 3.697 5.449 ( 0.745 3.110 -1.085) 3.377 5.506 ( 0.432 -2.482 -1.302) 2.836 5.512 ( 0.543 0.470 0.205) 0.747 5.611 ( 1.005 2.802 -1.349) 3.268 5.627 ( 0.825 1.606 -0.622) 1.910 5.656 ( -1.855 -0.736 0.452) 2.046 5.673 ( 1.117 -0.057 0.811) 1.381 5.725 ( -1.094 0.425 1.260) 1.722 5.784 ( -3.446 0.849 7.701) 8.479 5.891 ( -1.091 -0.301 -2.151) 2.430 5.994 ( 1.492 -3.581 1.352) 4.108 6.068 ( 2.559 4.118 -3.498) 5.978 6.255 ( 3.738 1.654 -2.462) 4.771 6.401 ( 6.304 -5.580 0.941) 8.471 6.617 ( 8.044 -2.845 4.867) 9.823 6.723 ( 0.085 0.535 0.938) 1.083 6.852 ( -6.843 0.805 -3.685) 7.813 7.140 ( -11.435 2.384 1.802) 11.820 7.323 ( -9.276 2.508 -2.512) 9.932 7.617 ( 4.521 -0.599 -0.404) 4.579 7.829 ( -2.404 0.023 -1.607) 2.892 ======================= Grid point 12 (8/57) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 15.059 0.370 -1.413) 15.130 1.546 ( 10.848 -8.139 -2.249) 13.747 1.596 ( -7.187 2.127 4.243) 8.613 1.648 ( 3.710 0.275 -3.234) 4.930 1.696 ( -1.949 -2.345 -0.696) 3.127 1.807 ( -1.988 -0.372 0.335) 2.050 1.812 ( -2.928 1.177 -4.414) 5.426 1.896 ( -5.921 0.776 5.632) 8.209 1.952 ( -2.535 0.551 -1.627) 3.062 1.965 ( -4.070 -1.436 4.528) 6.255 2.011 ( -2.875 -2.068 -3.263) 4.816 2.046 ( 2.019 -1.054 -3.922) 4.535 2.113 ( -6.754 0.329 -1.476) 6.922 2.207 ( -5.697 2.933 -3.890) 7.496 2.242 ( -1.285 -0.698 7.912) 8.046 2.284 ( -0.500 0.036 -0.435) 0.664 2.317 ( 0.878 1.373 1.146) 1.992 2.351 ( -3.443 -0.208 -0.598) 3.501 2.399 ( 0.757 0.134 -0.391) 0.863 2.532 ( 3.514 3.370 -2.515) 5.480 2.554 ( 5.700 -1.200 3.677) 6.888 2.686 ( 8.036 -5.215 8.708) 12.946 2.762 ( 6.603 2.750 6.608) 9.737 3.003 ( -1.447 3.411 -4.699) 5.984 3.084 ( -1.790 3.061 -3.746) 5.159 3.116 ( 2.419 1.870 -3.071) 4.333 3.151 ( -5.529 5.122 -1.210) 7.633 3.225 ( 5.772 -0.458 -3.429) 6.730 3.315 ( -0.393 -2.487 3.270) 4.127 3.530 ( 2.154 3.472 -0.174) 4.090 3.596 ( -5.639 2.811 1.385) 6.451 3.632 ( -3.643 -6.802 -7.245) 10.584 3.773 ( 0.188 -3.074 5.196) 6.040 4.781 ( -2.511 -0.112 -1.144) 2.761 4.799 ( 1.565 -1.136 -0.032) 1.934 4.831 ( -0.078 -2.703 0.643) 2.780 4.853 ( -0.266 -0.313 -0.559) 0.694 4.918 ( 2.452 -1.163 1.651) 3.177 4.959 ( 0.915 -0.752 0.226) 1.206 4.978 ( 1.192 -2.012 2.125) 3.160 5.054 ( -1.277 0.857 0.072) 1.540 5.111 ( -2.366 -0.012 0.235) 2.378 5.134 ( -0.684 0.051 -2.040) 2.152 5.162 ( -1.956 1.251 -1.243) 2.634 5.191 ( -2.715 1.307 1.250) 3.262 5.212 ( -0.629 -0.065 -3.264) 3.324 5.321 ( -0.483 -2.706 -0.919) 2.898 5.380 ( -0.715 0.811 3.984) 4.128 5.443 ( 1.731 1.920 -0.954) 2.755 5.494 ( -0.600 1.152 -3.093) 3.355 5.543 ( 1.025 -1.249 1.104) 1.956 5.573 ( -1.300 1.640 0.338) 2.120 5.603 ( -1.042 1.268 -1.019) 1.932 5.639 ( 0.441 1.676 -0.061) 1.734 5.692 ( -1.196 -1.638 0.194) 2.038 5.712 ( -0.295 0.005 0.662) 0.725 5.766 ( -1.646 -1.124 6.793) 7.079 5.856 ( 1.305 4.854 -2.362) 5.554 6.037 ( 1.749 4.051 -2.535) 5.088 6.130 ( 5.339 -4.875 1.327) 7.351 6.319 ( 3.598 -2.273 1.410) 4.483 6.475 ( -12.888 1.480 -2.630) 13.236 6.602 ( 2.235 -8.468 -0.988) 8.813 6.761 ( 5.032 -0.182 3.091) 5.908 6.835 ( -1.712 0.533 2.885) 3.397 7.030 ( 1.505 2.703 2.000) 3.684 7.137 ( -8.276 3.022 -4.416) 9.855 7.686 ( 3.445 -0.138 -0.501) 3.484 7.784 ( -2.203 0.046 -1.350) 2.584 ======================= Grid point 13 (9/57) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -2.343 14.461 -5.557) 15.669 1.493 ( -7.123 -0.871 8.729) 11.300 1.536 ( -2.317 -3.726 3.193) 5.427 1.625 ( -6.374 5.856 -0.765) 8.689 1.763 ( -0.436 -1.387 -3.047) 3.376 1.788 ( 1.998 -3.932 0.373) 4.427 1.824 ( 0.423 -0.874 5.390) 5.476 1.881 ( 2.460 -2.971 -0.692) 3.918 1.911 ( -3.124 -4.731 -0.708) 5.713 1.942 ( 3.397 -1.551 -3.146) 4.883 2.043 ( 0.810 -3.879 -0.897) 4.063 2.081 ( 0.824 -3.426 -2.478) 4.308 2.116 ( -0.646 -0.652 -2.009) 2.209 2.141 ( 7.231 -3.732 -4.049) 9.089 2.270 ( -1.274 4.289 0.653) 4.522 2.306 ( 0.789 -7.459 7.534) 10.631 2.320 ( 2.913 -0.205 -0.086) 2.922 2.345 ( 1.716 -1.523 -0.216) 2.304 2.392 ( -0.396 -0.070 -1.786) 1.831 2.539 ( -7.803 10.970 -4.873) 14.317 2.577 ( 0.456 1.436 3.144) 3.486 2.654 ( -5.016 9.110 -4.853) 11.477 2.744 ( -1.467 0.136 8.191) 8.322 2.983 ( 3.341 0.151 -2.762) 4.337 3.034 ( -2.521 1.607 1.245) 3.239 3.134 ( 9.680 -2.275 0.647) 9.964 3.202 ( -2.325 2.398 5.051) 6.055 3.264 ( 6.745 2.613 0.645) 7.262 3.404 ( 2.351 -0.243 -3.908) 4.567 3.477 ( -0.851 4.716 1.247) 4.952 3.568 ( 3.411 -3.969 -0.719) 5.282 3.610 ( -4.132 -6.799 -8.054) 11.321 3.783 ( -3.541 -1.669 4.803) 6.196 4.770 ( -1.307 -0.507 0.180) 1.414 4.811 ( 0.831 -0.399 1.594) 1.842 4.860 ( -0.018 -2.898 -0.330) 2.917 4.871 ( 1.237 -0.241 -0.205) 1.277 4.944 ( 0.151 1.655 -0.446) 1.720 5.004 ( 3.994 1.221 -0.982) 4.290 5.008 ( 1.051 -0.270 0.164) 1.097 5.040 ( -0.245 0.518 0.131) 0.588 5.075 ( -1.797 -2.289 1.978) 3.519 5.120 ( -0.295 -1.186 -0.160) 1.233 5.162 ( 1.344 -0.903 -0.624) 1.735 5.172 ( -0.358 -3.141 0.211) 3.169 5.208 ( 0.033 -1.389 -3.314) 3.594 5.327 ( -1.633 -3.072 -0.862) 3.584 5.368 ( 1.008 3.032 2.054) 3.798 5.448 ( -0.007 0.177 0.725) 0.746 5.470 ( 0.492 1.125 -3.177) 3.406 5.532 ( -1.129 1.035 1.637) 2.242 5.573 ( -0.753 0.520 0.366) 0.985 5.595 ( 1.572 -0.663 0.065) 1.707 5.637 ( 0.686 0.218 -1.168) 1.371 5.671 ( -2.625 -0.651 1.623) 3.155 5.715 ( 0.326 -0.841 -0.961) 1.318 5.789 ( 0.358 -3.127 3.017) 4.360 5.846 ( 3.777 5.291 0.238) 6.505 6.020 ( 1.789 3.416 -2.585) 4.642 6.185 ( -4.245 0.244 -2.505) 4.935 6.216 ( -9.373 3.499 1.844) 10.173 6.446 ( 3.547 -6.923 3.596) 8.570 6.689 ( -0.245 -5.573 -2.320) 6.042 6.787 ( 0.311 4.128 0.063) 4.140 6.896 ( -0.129 0.374 0.680) 0.787 6.929 ( -0.948 0.216 3.317) 3.456 7.152 ( 7.224 -4.124 -2.024) 8.560 7.695 ( -1.017 2.988 -1.078) 3.335 7.784 ( 1.666 -2.343 -0.312) 2.892 ======================= Grid point 14 (10/57) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -4.265 19.905 -10.394) 22.856 1.290 ( -15.305 9.638 -3.453) 18.414 1.459 ( -3.470 2.255 11.938) 12.635 1.593 ( -2.354 -3.781 10.572) 11.472 1.711 ( -4.193 5.651 -7.290) 10.132 1.814 ( -0.820 -1.066 1.911) 2.337 1.858 ( 3.544 -1.731 -0.576) 3.986 1.900 ( -14.985 14.894 0.303) 21.130 1.937 ( 0.991 -3.037 -0.228) 3.203 2.006 ( 1.130 1.760 -2.403) 3.186 2.093 ( 4.512 -6.009 -1.473) 7.657 2.107 ( 1.744 -4.831 -0.508) 5.162 2.173 ( 4.251 -4.961 0.771) 6.578 2.241 ( 2.407 -3.364 -0.577) 4.176 2.266 ( 6.265 -4.676 0.816) 7.860 2.298 ( 4.215 -5.111 -4.035) 7.757 2.366 ( 1.997 -2.330 1.637) 3.478 2.387 ( 0.463 -1.106 -4.367) 4.529 2.414 ( 1.820 -4.533 -0.938) 4.974 2.472 ( 4.293 -8.636 3.319) 10.200 2.579 ( -0.305 -1.105 0.848) 1.426 2.681 ( 6.256 4.608 -4.501) 8.979 2.755 ( 0.727 0.368 9.687) 9.721 2.938 ( -1.846 4.265 -6.807) 8.242 2.952 ( -5.278 2.391 6.861) 8.981 3.109 ( -3.900 4.182 7.519) 9.446 3.264 ( -1.471 5.062 -8.336) 9.863 3.325 ( -3.884 2.942 -1.516) 5.103 3.352 ( 6.501 -3.872 -1.555) 7.725 3.518 ( 7.559 4.049 -0.239) 8.579 3.573 ( -3.106 -5.168 -5.464) 8.137 3.685 ( -3.962 -2.645 3.581) 5.959 3.772 ( 3.887 -4.788 2.717) 6.739 4.708 ( -3.885 1.919 -0.348) 4.347 4.836 ( -2.332 3.249 -1.705) 4.348 4.853 ( 1.101 -1.012 0.152) 1.503 4.900 ( 0.820 -2.249 0.278) 2.410 4.938 ( 1.599 0.229 1.626) 2.292 5.014 ( -1.383 1.589 -0.762) 2.240 5.022 ( -0.767 0.352 0.538) 1.001 5.048 ( 1.558 -1.740 -0.941) 2.518 5.109 ( 2.692 -0.263 0.988) 2.880 5.155 ( 1.637 -3.214 0.907) 3.719 5.199 ( 0.734 -4.017 0.134) 4.086 5.224 ( 2.276 -0.292 -0.205) 2.304 5.241 ( 2.928 -5.772 -0.780) 6.519 5.327 ( -0.874 -1.911 -0.674) 2.207 5.391 ( 3.644 0.674 0.159) 3.709 5.447 ( -1.729 -2.678 0.793) 3.285 5.463 ( 0.547 0.708 -2.214) 2.388 5.515 ( -0.256 0.889 -0.139) 0.935 5.560 ( -0.277 1.004 1.001) 1.444 5.604 ( -0.200 1.132 -0.457) 1.237 5.621 ( -1.812 0.350 -0.556) 1.927 5.677 ( 1.759 -1.950 0.321) 2.645 5.725 ( 0.189 0.061 0.317) 0.374 5.848 ( -0.516 -2.794 4.628) 5.430 5.886 ( 5.828 -0.180 -2.404) 6.307 6.021 ( 2.598 2.398 -2.974) 4.621 6.032 ( -6.507 -1.241 -4.533) 8.027 6.134 ( -1.549 6.250 7.027) 9.531 6.480 ( -2.969 1.614 2.819) 4.401 6.680 ( -7.373 7.167 -1.228) 10.355 6.706 ( -5.587 6.490 -0.287) 8.569 6.831 ( 7.054 -9.564 -2.624) 12.170 7.144 ( 8.639 -10.027 1.386) 13.307 7.329 ( 7.499 -6.774 0.884) 10.144 7.625 ( -2.614 4.025 -0.605) 4.837 7.840 ( 1.928 -2.244 -0.383) 2.983 ======================= Grid point 15 (11/57) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -7.024 20.040 -13.145) 24.975 0.858 ( -14.248 18.470 -12.065) 26.262 1.285 ( -19.191 32.454 6.119) 38.197 1.477 ( -0.109 -0.327 14.278) 14.282 1.584 ( -1.229 1.231 -15.397) 15.495 1.662 ( 0.249 0.551 18.266) 18.276 1.795 ( -1.479 1.860 -4.532) 5.117 1.957 ( 0.256 -1.517 0.315) 1.570 1.960 ( 1.970 -2.420 -0.651) 3.188 2.123 ( 4.081 -6.330 -1.314) 7.646 2.164 ( 2.077 -2.545 0.584) 3.337 2.209 ( 1.661 -7.603 -2.044) 8.046 2.276 ( 1.889 -1.302 0.367) 2.324 2.296 ( 3.024 -5.004 0.950) 5.924 2.359 ( 1.815 -2.822 -1.970) 3.891 2.412 ( 3.393 -3.633 0.529) 4.999 2.450 ( -0.066 -5.328 -2.075) 5.719 2.465 ( 5.105 -0.815 -0.402) 5.185 2.542 ( 5.842 -7.919 3.575) 10.470 2.610 ( -1.266 -10.084 0.132) 10.164 2.637 ( 7.183 -3.744 -0.036) 8.100 2.695 ( 1.412 0.830 -3.554) 3.914 2.797 ( -3.233 -0.962 2.522) 4.212 2.844 ( -6.971 3.151 13.348) 15.385 2.869 ( 4.661 3.721 -4.113) 7.245 3.073 ( 0.026 5.300 -2.930) 6.056 3.127 ( -3.440 1.184 -5.064) 6.235 3.244 ( -0.425 4.798 -0.609) 4.855 3.429 ( 0.194 -2.688 -5.384) 6.021 3.518 ( -5.195 4.297 3.818) 7.748 3.575 ( -0.757 -3.927 -1.660) 4.330 3.636 ( 1.053 3.228 1.059) 3.556 3.911 ( 3.765 -5.180 1.341) 6.543 4.633 ( -2.983 1.387 -0.156) 3.293 4.756 ( -1.685 4.060 -1.787) 4.746 4.874 ( 0.279 -1.295 -0.490) 1.412 4.918 ( 0.208 -0.409 -1.177) 1.263 4.947 ( -2.141 1.379 4.128) 4.850 4.966 ( -0.557 2.192 -1.213) 2.567 5.025 ( 0.860 -2.462 -0.302) 2.625 5.091 ( 1.335 -2.027 0.684) 2.522 5.138 ( 0.582 -0.052 -0.635) 0.863 5.205 ( 1.175 -1.763 0.981) 2.335 5.258 ( 1.963 -2.842 0.777) 3.540 5.285 ( 1.261 -4.275 -0.312) 4.468 5.321 ( 0.120 -0.763 -0.140) 0.785 5.363 ( 3.337 -4.854 -0.172) 5.893 5.445 ( -1.825 -3.366 -0.084) 3.830 5.456 ( 3.598 0.002 -1.201) 3.793 5.462 ( -1.243 -2.525 0.050) 2.815 5.506 ( 0.793 1.577 -1.093) 2.076 5.540 ( -0.747 0.950 -0.739) 1.417 5.570 ( -1.675 2.406 0.210) 2.939 5.627 ( 3.476 0.795 1.669) 3.937 5.719 ( 0.560 0.590 1.332) 1.561 5.736 ( 1.052 -2.954 -0.192) 3.141 5.841 ( -2.861 -2.573 0.445) 3.873 5.970 ( -1.168 -1.370 -4.308) 4.670 5.986 ( 2.807 -2.945 0.148) 4.072 6.041 ( 1.469 1.663 1.534) 2.698 6.130 ( 6.084 4.358 3.108) 8.103 6.392 ( -4.581 3.306 0.523) 5.674 6.470 ( -8.245 7.108 -0.961) 10.928 6.547 ( -4.396 9.589 -0.404) 10.556 7.029 ( 5.421 -9.053 -0.819) 10.584 7.367 ( 5.976 -10.054 0.091) 11.696 7.510 ( 4.238 -8.146 1.421) 9.292 7.545 ( -1.315 3.657 -0.304) 3.898 7.874 ( 0.306 -0.768 -0.423) 0.928 ======================= Grid point 16 (12/57) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -0.000 19.647 -0.000) 19.647 0.551 ( -0.000 28.253 -0.000) 28.253 0.756 ( -0.000 39.428 -0.000) 39.428 1.526 ( 0.000 -1.818 0.000) 1.818 1.533 ( 0.000 -0.768 0.000) 0.768 1.711 ( -0.000 0.815 -0.000) 0.815 1.724 ( -0.000 3.565 -0.000) 3.565 1.972 ( 0.000 -1.193 0.000) 1.193 1.988 ( 0.000 -0.783 0.000) 0.783 2.187 ( 0.000 -2.347 0.000) 2.347 2.214 ( 0.000 -0.438 0.000) 0.438 2.291 ( 0.000 -7.968 0.000) 7.968 2.306 ( 0.000 -4.495 0.000) 4.495 2.388 ( 0.000 -4.905 0.000) 4.905 2.428 ( 0.000 -5.798 0.000) 5.798 2.455 ( -0.000 0.617 -0.000) 0.617 2.479 ( 0.000 -5.183 0.000) 5.183 2.551 ( -0.000 0.162 -0.000) 0.162 2.586 ( -0.000 0.868 -0.000) 0.868 2.677 ( 0.000 -0.711 0.000) 0.711 2.678 ( 0.000 -0.243 0.000) 0.243 2.740 ( -0.000 6.242 -0.000) 6.242 2.745 ( 0.000 -7.156 0.000) 7.156 2.855 ( 0.000 -11.648 0.000) 11.648 2.913 ( -0.000 0.237 -0.000) 0.237 2.992 ( -0.000 3.683 -0.000) 3.683 3.131 ( 0.000 -2.214 0.000) 2.214 3.217 ( -0.000 2.298 -0.000) 2.298 3.411 ( -0.000 2.907 -0.000) 2.907 3.413 ( -0.000 4.428 -0.000) 4.428 3.594 ( 0.000 -1.816 0.000) 1.816 3.613 ( -0.000 3.473 -0.000) 3.473 3.983 ( 0.000 -3.290 0.000) 3.290 4.589 ( -0.000 1.420 -0.000) 1.420 4.706 ( -0.000 2.848 -0.000) 2.848 4.891 ( 0.000 -1.291 0.000) 1.291 4.900 ( -0.000 1.401 -0.000) 1.401 4.934 ( -0.000 1.554 -0.000) 1.554 4.934 ( -0.000 0.529 -0.000) 0.529 5.067 ( 0.000 -2.323 0.000) 2.323 5.109 ( -0.000 0.647 -0.000) 0.647 5.152 ( 0.000 -2.545 0.000) 2.545 5.233 ( 0.000 -1.440 0.000) 1.440 5.305 ( 0.000 -0.779 0.000) 0.779 5.316 ( -0.000 0.722 -0.000) 0.722 5.331 ( 0.000 -4.864 0.000) 4.864 5.434 ( 0.000 -2.781 0.000) 2.781 5.451 ( 0.000 -2.251 0.000) 2.251 5.461 ( 0.000 -1.492 0.000) 1.492 5.485 ( -0.000 0.572 -0.000) 0.572 5.504 ( -0.000 1.382 -0.000) 1.382 5.522 ( -0.000 0.282 -0.000) 0.282 5.541 ( -0.000 0.815 -0.000) 0.815 5.678 ( 0.000 -0.565 0.000) 0.565 5.721 ( -0.000 1.727 -0.000) 1.727 5.777 ( 0.000 -3.535 0.000) 3.535 5.858 ( 0.000 -7.014 0.000) 7.014 5.961 ( 0.000 -0.358 0.000) 0.358 6.028 ( 0.000 -1.123 0.000) 1.123 6.054 ( 0.000 -0.548 0.000) 0.548 6.195 ( -0.000 1.278 -0.000) 1.278 6.304 ( -0.000 7.305 -0.000) 7.305 6.311 ( -0.000 2.885 -0.000) 2.885 6.410 ( -0.000 10.289 -0.000) 10.289 7.149 ( 0.000 -6.592 0.000) 6.592 7.487 ( -0.000 3.104 -0.000) 3.104 7.503 ( 0.000 -7.372 0.000) 7.372 7.647 ( 0.000 -8.956 0.000) 8.956 7.865 ( -0.000 1.785 -0.000) 1.785 ======================= Grid point 19 (13/57) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 16.805 0.000 -4.124) 17.303 1.408 ( 16.257 0.000 -4.134) 16.775 1.601 ( -5.068 -0.000 2.905) 5.841 1.639 ( 3.606 0.000 -0.742) 3.681 1.689 ( -5.143 -0.000 -0.777) 5.201 1.787 ( -3.144 -0.000 0.771) 3.237 1.874 ( -5.295 -0.000 2.164) 5.720 1.898 ( -8.858 -0.000 0.110) 8.859 1.934 ( -8.493 -0.000 0.579) 8.513 1.947 ( 6.232 0.000 5.398) 8.245 2.020 ( 1.557 0.000 -5.375) 5.596 2.025 ( -8.595 -0.000 -6.761) 10.935 2.152 ( -7.173 -0.000 5.429) 8.996 2.158 ( -5.355 -0.000 2.432) 5.881 2.237 ( -4.633 -0.000 -1.251) 4.799 2.295 ( -2.296 -0.000 -1.293) 2.635 2.348 ( -1.933 -0.000 -6.225) 6.519 2.352 ( 6.293 0.000 2.049) 6.619 2.408 ( -1.543 -0.000 0.009) 1.543 2.550 ( 6.483 0.000 -2.734) 7.036 2.582 ( 11.140 0.000 5.558) 12.450 2.604 ( -0.028 -0.000 11.422) 11.422 2.811 ( 3.965 0.000 12.257) 12.883 3.022 ( 4.557 0.000 -6.561) 7.988 3.066 ( 4.801 0.000 -6.259) 7.888 3.120 ( 7.482 0.000 -3.493) 8.257 3.226 ( 3.987 0.000 -2.083) 4.498 3.278 ( -4.202 -0.000 3.445) 5.433 3.400 ( -8.850 -0.000 -6.673) 11.084 3.406 ( -7.457 -0.000 -4.608) 8.766 3.602 ( 3.259 0.000 2.155) 3.907 3.640 ( -6.491 -0.000 1.988) 6.789 3.724 ( 0.812 0.000 2.459) 2.590 4.775 ( -2.171 -0.000 -1.280) 2.520 4.786 ( 0.217 0.000 -0.332) 0.397 4.807 ( -0.083 -0.000 0.708) 0.713 4.853 ( -0.055 -0.000 -0.523) 0.526 4.900 ( 3.375 0.000 3.849) 5.120 4.932 ( -0.616 -0.000 1.158) 1.311 4.968 ( 2.567 0.000 0.329) 2.588 5.063 ( -2.064 -0.000 -0.331) 2.091 5.110 ( -1.498 -0.000 0.334) 1.534 5.131 ( -1.279 -0.000 -2.678) 2.967 5.171 ( -3.176 -0.000 -0.347) 3.195 5.209 ( -2.576 -0.000 -2.124) 3.339 5.247 ( -2.670 -0.000 -3.488) 4.393 5.268 ( -0.414 -0.000 1.049) 1.128 5.390 ( 1.224 0.000 5.899) 6.025 5.473 ( 0.550 0.000 -1.727) 1.812 5.497 ( 0.469 0.000 -4.505) 4.529 5.526 ( 1.069 0.000 1.091) 1.527 5.590 ( -2.965 -0.000 0.015) 2.965 5.633 ( -0.341 -0.000 -1.685) 1.719 5.657 ( -1.281 -0.000 -1.795) 2.205 5.659 ( -0.034 -0.000 0.544) 0.545 5.721 ( -0.028 -0.000 2.060) 2.061 5.749 ( -3.283 -0.000 5.880) 6.734 5.945 ( 4.321 0.000 2.051) 4.783 6.013 ( 3.449 0.000 5.701) 6.663 6.131 ( 3.272 0.000 -3.788) 5.005 6.282 ( 4.001 0.000 -11.343) 12.028 6.451 ( -3.896 -0.000 1.457) 4.159 6.541 ( -12.122 -0.000 4.747) 13.018 6.758 ( 7.809 0.000 4.888) 9.212 6.839 ( -0.233 -0.000 2.697) 2.707 7.057 ( 0.083 0.000 -0.090) 0.122 7.172 ( -9.356 -0.000 -4.559) 10.408 7.684 ( 3.995 0.000 -1.111) 4.147 7.785 ( -2.283 -0.000 -1.504) 2.734 ======================= Grid point 20 (14/57) ======================= q-point: (-0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -1.988 1.239 4.954) 5.480 1.509 ( 3.081 2.893 0.145) 4.229 1.562 ( -2.648 3.920 0.874) 4.810 1.652 ( 9.052 -6.157 -1.922) 11.115 1.703 ( -0.705 -1.185 3.307) 3.583 1.738 ( -7.792 3.283 -5.474) 10.073 1.743 ( -2.492 -3.070 3.059) 4.999 1.841 ( -3.402 -2.472 3.446) 5.437 1.864 ( 2.050 -1.585 -0.548) 2.649 1.944 ( -0.611 -2.666 -0.405) 2.765 1.992 ( -3.988 1.505 0.479) 4.290 2.061 ( 3.813 1.378 -5.535) 6.861 2.081 ( 1.876 -0.210 -3.518) 3.992 2.149 ( -2.419 -1.787 -0.092) 3.009 2.172 ( -1.100 -3.735 3.822) 5.456 2.274 ( -1.201 -1.764 -0.400) 2.171 2.312 ( 0.125 -0.104 -4.515) 4.518 2.347 ( -1.214 0.978 0.659) 1.692 2.412 ( 0.648 1.006 -2.598) 2.860 2.616 ( -0.187 2.473 6.048) 6.537 2.638 ( 7.039 1.489 -3.314) 7.921 2.706 ( -0.355 -2.409 7.357) 7.750 2.938 ( -7.266 11.961 -4.417) 14.676 3.034 ( 7.607 5.949 0.901) 9.699 3.051 ( -1.058 3.259 -1.041) 3.581 3.140 ( 1.837 -0.184 0.233) 1.861 3.209 ( 1.813 -1.368 2.787) 3.596 3.278 ( -0.908 -1.697 4.148) 4.573 3.376 ( 3.147 -5.585 -2.110) 6.749 3.383 ( 0.959 -6.987 -5.529) 8.961 3.558 ( -2.118 1.951 1.417) 3.210 3.601 ( -0.722 3.279 -1.757) 3.789 3.728 ( -3.062 -3.229 0.565) 4.485 4.755 ( -0.347 -0.729 0.106) 0.815 4.785 ( 0.323 -1.375 2.600) 2.959 4.836 ( 0.673 0.230 -0.266) 0.759 4.853 ( 0.115 -1.239 0.416) 1.312 4.953 ( 2.727 -0.075 1.394) 3.064 4.972 ( 2.345 -1.599 0.901) 2.978 5.020 ( -1.294 -0.332 -1.106) 1.734 5.033 ( 3.133 -0.823 0.393) 3.263 5.072 ( -2.897 1.099 -0.146) 3.102 5.101 ( -1.595 -0.745 -0.570) 1.850 5.138 ( -0.996 0.051 -3.531) 3.669 5.171 ( -0.794 -1.394 -1.127) 1.960 5.192 ( -0.528 2.277 -2.156) 3.180 5.274 ( -1.007 -2.418 0.778) 2.733 5.425 ( 1.256 1.827 5.239) 5.689 5.462 ( -0.809 1.282 -3.318) 3.648 5.482 ( 0.140 -0.159 -3.580) 3.587 5.548 ( -0.552 0.128 1.844) 1.929 5.562 ( 0.687 -0.166 0.205) 0.736 5.605 ( -0.911 0.231 -0.816) 1.245 5.640 ( -1.088 0.060 0.573) 1.232 5.648 ( -1.349 -0.585 0.282) 1.497 5.720 ( 0.306 0.643 -0.488) 0.863 5.741 ( -0.611 -1.825 1.936) 2.730 5.974 ( 3.856 6.913 3.424) 8.624 6.093 ( 2.137 3.137 -0.412) 3.818 6.198 ( -3.911 1.342 -4.949) 6.449 6.223 ( -2.828 -4.526 1.626) 5.580 6.339 ( 2.569 -1.556 -2.207) 3.728 6.526 ( -2.378 -8.001 2.247) 8.644 6.848 ( 1.514 1.931 6.733) 7.166 6.879 ( 3.719 0.019 4.625) 5.935 6.994 ( -9.194 2.069 -2.034) 9.641 7.100 ( 4.619 -1.200 -5.289) 7.124 7.735 ( 2.097 0.471 -1.330) 2.528 7.750 ( -0.880 -0.385 -1.177) 1.519 ======================= Grid point 21 (15/57) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -5.555 12.517 -4.614) 14.450 1.437 ( -2.118 5.580 8.791) 10.626 1.518 ( -4.912 4.526 3.503) 7.542 1.590 ( 0.932 4.661 -0.591) 4.790 1.719 ( -0.494 -4.170 1.843) 4.586 1.779 ( 0.458 -2.695 2.969) 4.036 1.834 ( 1.102 -3.383 2.834) 4.548 1.873 ( 5.880 -4.413 0.693) 7.385 1.926 ( 1.164 0.065 -2.909) 3.134 1.951 ( 0.398 -6.788 -3.498) 7.647 2.024 ( -0.146 -2.952 -2.638) 3.962 2.029 ( 3.390 -3.952 -0.686) 5.252 2.101 ( 2.545 -2.854 -3.332) 5.072 2.203 ( 4.318 -2.786 -2.534) 5.730 2.238 ( -0.918 -5.364 1.334) 5.604 2.293 ( -1.283 -4.810 2.415) 5.532 2.317 ( 2.712 -1.611 -0.187) 3.160 2.375 ( 3.004 -1.524 -0.136) 3.371 2.393 ( -0.263 1.035 -4.835) 4.952 2.463 ( -13.410 22.708 -2.274) 26.470 2.589 ( -1.375 1.495 2.158) 2.963 2.727 ( -2.535 -1.074 8.337) 8.780 2.767 ( 6.055 3.061 -5.574) 8.781 2.986 ( -0.958 2.727 -0.481) 2.930 3.062 ( 0.375 5.784 -0.963) 5.875 3.179 ( -3.776 2.186 4.856) 6.528 3.266 ( 5.598 -2.054 -0.551) 5.988 3.344 ( 1.028 -0.866 -3.799) 4.030 3.369 ( -5.869 -10.737 -1.647) 12.347 3.413 ( -2.969 2.977 3.879) 5.720 3.579 ( 2.400 -1.907 0.824) 3.174 3.623 ( 2.404 -0.366 -0.121) 2.435 3.705 ( 2.037 -2.085 -1.471) 3.265 4.740 ( -2.377 1.075 -0.522) 2.661 4.813 ( -0.391 -1.985 0.706) 2.143 4.858 ( 1.811 -1.330 1.837) 2.902 4.871 ( -0.184 -1.719 1.339) 2.187 4.943 ( -3.045 1.047 -2.382) 4.006 4.996 ( -0.308 -2.567 -0.904) 2.739 5.014 ( -0.103 -0.705 -0.563) 0.908 5.044 ( -0.623 1.761 1.330) 2.293 5.094 ( -0.081 -2.065 0.060) 2.068 5.113 ( 3.355 -0.896 0.533) 3.513 5.139 ( 2.166 -3.607 -1.643) 4.517 5.184 ( 1.700 0.405 -1.192) 2.115 5.202 ( 2.327 -0.845 0.692) 2.570 5.289 ( 0.138 -2.020 0.599) 2.111 5.412 ( -0.328 1.504 -1.075) 1.878 5.432 ( -1.616 0.308 1.499) 2.226 5.471 ( -0.595 0.187 -2.288) 2.372 5.535 ( -0.129 0.983 0.677) 1.201 5.582 ( 1.272 0.774 0.017) 1.489 5.605 ( -0.623 -1.189 -0.994) 1.670 5.619 ( -0.470 0.331 -0.043) 0.576 5.657 ( 1.318 -0.191 1.951) 2.362 5.721 ( 0.404 -0.330 -1.737) 1.813 5.766 ( 0.297 -3.313 0.659) 3.391 5.974 ( 2.159 6.021 3.489) 7.286 6.017 ( -5.872 -0.381 -4.177) 7.216 6.090 ( 3.477 5.308 -3.130) 7.075 6.264 ( 0.206 7.463 7.170) 10.352 6.444 ( 2.467 -5.935 5.459) 8.433 6.620 ( 3.134 -10.965 -6.020) 12.895 6.783 ( -8.697 2.756 -5.528) 10.668 6.843 ( -0.007 6.358 1.047) 6.443 6.984 ( 3.015 -5.040 7.012) 9.146 7.204 ( 4.648 -6.076 -1.388) 7.775 7.697 ( -1.727 3.185 -0.904) 3.734 7.791 ( 1.832 -2.590 -1.164) 3.379 ======================= Grid point 22 (16/57) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -13.479 15.038 -10.303) 22.671 1.263 ( -0.124 20.110 -4.694) 20.651 1.499 ( 0.220 3.359 11.376) 11.863 1.612 ( 1.506 1.947 -1.573) 2.921 1.697 ( -0.967 3.914 6.845) 7.944 1.801 ( 0.250 -1.238 -0.053) 1.264 1.873 ( -4.129 10.693 0.671) 11.482 1.905 ( 0.527 6.706 1.403) 6.871 1.944 ( 0.546 -0.509 0.605) 0.961 2.003 ( -4.546 -1.647 -4.517) 6.617 2.052 ( 2.285 -6.800 0.618) 7.200 2.101 ( 1.806 -3.828 -0.065) 4.233 2.171 ( 4.329 -7.697 -0.982) 8.886 2.243 ( 3.721 -6.056 -0.784) 7.151 2.270 ( 0.903 -7.854 -2.283) 8.229 2.310 ( -0.572 -6.763 -0.356) 6.797 2.341 ( 0.741 -0.100 -1.061) 1.298 2.364 ( 2.063 -4.114 -0.970) 4.704 2.443 ( 3.745 -2.414 -0.461) 4.479 2.469 ( 5.076 -5.965 4.550) 9.058 2.579 ( 0.049 -2.281 1.080) 2.524 2.717 ( -3.918 -2.392 4.537) 6.454 2.761 ( 0.249 3.771 -7.224) 8.153 2.972 ( 2.898 5.825 -3.636) 7.453 2.987 ( -2.205 7.626 7.652) 11.025 3.130 ( 0.029 2.106 5.925) 6.288 3.211 ( -4.339 5.146 -9.056) 11.284 3.323 ( -1.839 2.519 1.486) 3.455 3.377 ( 0.156 -2.628 -3.781) 4.607 3.426 ( -0.210 -9.787 -2.734) 10.164 3.539 ( -9.015 -1.476 3.111) 9.650 3.690 ( 4.709 -1.985 1.859) 5.438 3.821 ( 5.688 -1.058 -0.098) 5.787 4.670 ( -2.934 2.197 -0.599) 3.714 4.819 ( -1.207 -1.597 -0.006) 2.002 4.850 ( -0.791 2.850 -1.608) 3.367 4.901 ( 1.495 -1.188 -0.337) 1.939 4.935 ( -0.557 -3.933 2.436) 4.660 4.991 ( -2.210 -0.615 -1.174) 2.577 4.997 ( -1.343 1.494 0.675) 2.119 5.039 ( 0.717 -3.991 0.611) 4.100 5.112 ( -0.670 -3.010 -0.246) 3.093 5.176 ( 1.811 -1.767 2.093) 3.283 5.195 ( 1.740 1.698 -1.965) 3.126 5.240 ( 3.532 -4.261 -0.455) 5.554 5.256 ( 1.780 -2.622 0.457) 3.202 5.324 ( 1.945 -1.289 0.837) 2.479 5.386 ( -2.534 -1.507 -0.735) 3.038 5.425 ( -1.497 -1.634 1.041) 2.448 5.467 ( 2.757 0.622 -1.692) 3.294 5.524 ( -0.651 0.533 0.061) 0.843 5.576 ( 0.785 2.467 -2.468) 3.577 5.596 ( -2.046 0.299 0.115) 2.070 5.629 ( 2.128 -0.872 0.948) 2.488 5.687 ( 0.457 -1.347 0.099) 1.426 5.731 ( 0.972 0.072 1.603) 1.876 5.789 ( -1.618 -2.647 -1.606) 3.494 5.966 ( -0.785 0.234 -1.903) 2.072 5.978 ( 3.198 2.464 2.168) 4.582 6.100 ( 3.279 4.961 0.336) 5.957 6.232 ( 2.327 5.817 5.384) 8.261 6.449 ( -2.303 3.091 -2.283) 4.480 6.592 ( -7.712 4.735 -0.820) 9.087 6.714 ( -2.363 5.088 1.183) 5.733 6.840 ( 5.173 -7.568 -3.001) 9.646 7.146 ( 4.047 -12.340 1.560) 13.080 7.338 ( 2.480 -9.295 0.788) 9.653 7.628 ( -1.631 4.457 -0.453) 4.767 7.837 ( 0.821 -2.848 -0.813) 3.074 ======================= Grid point 23 (17/57) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.000 19.170 -0.000) 19.170 1.051 ( -0.000 24.252 -0.000) 24.252 1.451 ( -0.000 24.599 -0.000) 24.599 1.541 ( -0.000 12.920 -0.000) 12.920 1.547 ( -0.000 2.764 -0.000) 2.764 1.736 ( -0.000 2.137 -0.000) 2.137 1.786 ( -0.000 2.370 -0.000) 2.370 1.949 ( 0.000 -3.343 0.000) 3.343 1.952 ( 0.000 -0.684 0.000) 0.684 2.056 ( 0.000 -10.812 0.000) 10.812 2.136 ( 0.000 -7.269 0.000) 7.269 2.184 ( 0.000 -3.855 0.000) 3.855 2.255 ( 0.000 -2.243 0.000) 2.243 2.300 ( 0.000 -3.885 0.000) 3.885 2.338 ( 0.000 -3.934 0.000) 3.934 2.370 ( 0.000 -6.914 0.000) 6.914 2.382 ( 0.000 -8.750 0.000) 8.750 2.462 ( 0.000 -10.140 0.000) 10.140 2.527 ( 0.000 -4.040 0.000) 4.040 2.592 ( 0.000 -3.801 0.000) 3.801 2.626 ( 0.000 -7.131 0.000) 7.131 2.695 ( 0.000 -3.765 0.000) 3.765 2.711 ( -0.000 4.169 -0.000) 4.169 2.892 ( -0.000 8.046 -0.000) 8.046 2.949 ( -0.000 5.090 -0.000) 5.090 3.095 ( -0.000 5.982 -0.000) 5.982 3.140 ( -0.000 1.975 -0.000) 1.975 3.282 ( -0.000 3.196 -0.000) 3.196 3.423 ( 0.000 -1.764 0.000) 1.764 3.426 ( 0.000 -1.054 0.000) 1.054 3.510 ( 0.000 -7.205 0.000) 7.205 3.721 ( -0.000 4.976 -0.000) 4.976 3.894 ( 0.000 -4.988 0.000) 4.988 4.623 ( -0.000 2.021 -0.000) 2.021 4.783 ( -0.000 4.691 -0.000) 4.691 4.850 ( 0.000 -2.841 0.000) 2.841 4.923 ( -0.000 0.319 -0.000) 0.319 4.944 ( -0.000 0.461 -0.000) 0.461 4.960 ( -0.000 0.351 -0.000) 0.351 5.005 ( 0.000 -2.911 0.000) 2.911 5.102 ( 0.000 -3.681 0.000) 3.681 5.119 ( 0.000 -1.468 0.000) 1.468 5.202 ( 0.000 -1.272 0.000) 1.272 5.215 ( 0.000 -3.729 0.000) 3.729 5.282 ( 0.000 -1.687 0.000) 1.687 5.328 ( 0.000 -3.070 0.000) 3.070 5.361 ( 0.000 -1.092 0.000) 1.092 5.378 ( 0.000 -4.505 0.000) 4.505 5.422 ( 0.000 -1.986 0.000) 1.986 5.501 ( -0.000 1.225 -0.000) 1.225 5.522 ( 0.000 -0.797 0.000) 0.797 5.547 ( -0.000 2.281 -0.000) 2.281 5.564 ( -0.000 1.349 -0.000) 1.349 5.671 ( 0.000 -0.146 0.000) 0.146 5.701 ( 0.000 -3.723 0.000) 3.723 5.754 ( -0.000 1.547 -0.000) 1.547 5.776 ( 0.000 -2.526 0.000) 2.526 5.956 ( 0.000 -0.058 0.000) 0.058 6.007 ( -0.000 0.134 -0.000) 0.134 6.088 ( -0.000 3.877 -0.000) 3.877 6.234 ( -0.000 2.712 -0.000) 2.712 6.386 ( -0.000 5.112 -0.000) 5.112 6.443 ( -0.000 6.902 -0.000) 6.902 6.610 ( -0.000 10.058 -0.000) 10.058 6.979 ( 0.000 -10.634 0.000) 10.634 7.309 ( 0.000 -12.603 0.000) 12.603 7.454 ( 0.000 -10.106 0.000) 10.106 7.570 ( -0.000 4.297 -0.000) 4.297 7.864 ( 0.000 -1.726 0.000) 1.726 ======================= Grid point 28 (18/57) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 1.574 0.000 10.333) 10.452 1.524 ( 0.582 0.000 4.317) 4.356 1.621 ( -8.461 -0.000 -7.012) 10.989 1.651 ( -3.002 -0.000 3.200) 4.388 1.711 ( 4.913 0.000 -1.511) 5.141 1.724 ( 3.408 0.000 0.877) 3.519 1.741 ( 3.816 0.000 4.094) 5.596 1.803 ( 0.120 0.000 0.969) 0.976 1.820 ( 0.535 0.000 -0.639) 0.833 1.995 ( -0.759 -0.000 0.742) 1.061 2.008 ( 7.345 0.000 -0.076) 7.345 2.030 ( -4.985 -0.000 -3.485) 6.082 2.073 ( -1.482 -0.000 -5.676) 5.866 2.120 ( 1.570 0.000 2.197) 2.701 2.188 ( 2.292 0.000 -2.105) 3.112 2.247 ( -0.243 -0.000 1.756) 1.773 2.305 ( 1.107 0.000 -3.980) 4.131 2.351 ( 1.879 0.000 -1.535) 2.426 2.405 ( -0.470 -0.000 -4.195) 4.221 2.613 ( -4.138 -0.000 6.493) 7.699 2.669 ( -0.876 -0.000 0.737) 1.145 2.782 ( 6.352 0.000 -3.989) 7.500 2.916 ( -5.875 -0.000 -4.104) 7.166 2.948 ( -8.153 -0.000 -4.426) 9.277 3.080 ( -4.343 -0.000 1.044) 4.466 3.154 ( 1.285 0.000 -1.652) 2.093 3.227 ( 3.166 0.000 -0.866) 3.283 3.275 ( -3.852 -0.000 5.111) 6.400 3.315 ( 7.695 0.000 8.717) 11.628 3.451 ( -3.953 -0.000 6.999) 8.039 3.575 ( -3.334 -0.000 -1.933) 3.854 3.599 ( -3.167 -0.000 -3.117) 4.443 3.697 ( 10.263 0.000 -4.547) 11.225 4.744 ( -0.619 -0.000 -0.656) 0.902 4.812 ( 1.085 0.000 3.641) 3.799 4.814 ( -2.677 -0.000 1.507) 3.072 4.860 ( 0.882 0.000 0.115) 0.890 4.943 ( -3.846 -0.000 -3.862) 5.450 4.982 ( -0.985 -0.000 0.514) 1.111 5.002 ( 0.574 0.000 0.124) 0.587 5.068 ( -1.446 -0.000 -1.283) 1.933 5.082 ( 3.896 0.000 2.526) 4.643 5.098 ( 3.898 0.000 -1.242) 4.091 5.124 ( -1.837 -0.000 -0.408) 1.882 5.140 ( 2.128 0.000 -3.213) 3.854 5.234 ( 3.055 0.000 1.956) 3.628 5.257 ( -0.126 -0.000 1.181) 1.188 5.430 ( -2.280 -0.000 -3.087) 3.838 5.440 ( -1.984 -0.000 2.406) 3.118 5.469 ( -0.261 -0.000 -3.244) 3.254 5.549 ( -0.350 -0.000 2.223) 2.251 5.573 ( -1.300 -0.000 0.146) 1.309 5.600 ( 2.979 0.000 -0.263) 2.991 5.620 ( -1.072 -0.000 0.079) 1.075 5.673 ( 3.273 0.000 1.530) 3.613 5.703 ( -1.312 -0.000 -0.866) 1.572 5.738 ( 0.258 0.000 -1.862) 1.880 6.014 ( -5.125 -0.000 -4.024) 6.516 6.038 ( -1.596 -0.000 3.556) 3.898 6.216 ( 5.049 0.000 3.602) 6.203 6.300 ( 7.948 0.000 -0.352) 7.955 6.414 ( -4.618 -0.000 5.799) 7.413 6.437 ( 8.341 0.000 -5.174) 9.815 6.796 ( -7.777 -0.000 -8.852) 11.783 6.924 ( -2.124 -0.000 11.391) 11.587 6.947 ( 1.637 0.000 3.960) 4.284 7.132 ( 2.346 0.000 -5.005) 5.528 7.733 ( -0.533 -0.000 -1.183) 1.297 7.759 ( 0.838 0.000 -1.226) 1.485 ======================= Grid point 30 (19/57) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -9.685 11.503 -7.957) 17.013 1.536 ( 3.094 7.805 6.054) 10.351 1.601 ( 3.571 3.568 4.709) 6.903 1.644 ( 1.335 -0.325 2.286) 2.667 1.704 ( -0.392 0.784 4.963) 5.039 1.759 ( -1.623 -2.244 0.628) 2.840 1.843 ( 2.248 -4.070 -1.835) 4.999 1.878 ( 4.043 -3.415 -0.733) 5.343 1.912 ( 1.615 -4.608 0.745) 4.939 1.935 ( -0.063 2.023 -1.662) 2.619 1.981 ( 1.940 -4.332 -2.339) 5.292 2.039 ( -1.045 -0.339 -3.128) 3.316 2.097 ( 0.220 -5.956 -1.035) 6.049 2.195 ( -1.970 -3.139 -1.209) 3.898 2.200 ( 3.929 -2.274 2.120) 5.010 2.285 ( 1.011 -2.559 -0.987) 2.923 2.340 ( 4.140 -0.045 -0.066) 4.141 2.385 ( 0.027 0.185 -2.454) 2.461 2.403 ( 2.812 -1.457 2.027) 3.760 2.527 ( -4.962 11.657 0.297) 12.673 2.569 ( -3.322 9.076 -0.225) 9.668 2.699 ( -2.850 2.844 1.561) 4.319 2.826 ( 1.246 2.132 -6.437) 6.895 2.999 ( -0.580 -11.298 -0.439) 11.322 3.086 ( 0.874 1.585 5.655) 5.938 3.136 ( -1.742 -1.820 -1.806) 3.100 3.212 ( -2.258 1.091 2.810) 3.767 3.263 ( -1.083 -1.354 -3.313) 3.740 3.369 ( -2.771 2.405 0.603) 3.718 3.411 ( 0.169 2.017 0.802) 2.177 3.506 ( -6.535 -1.156 0.553) 6.660 3.567 ( 0.862 -7.079 1.685) 7.327 3.857 ( 8.307 1.861 -1.701) 8.681 4.704 ( -3.033 1.130 -1.155) 3.436 4.781 ( -1.695 -1.091 0.733) 2.145 4.840 ( 0.091 -3.365 2.091) 3.963 4.877 ( 0.474 -0.949 0.049) 1.062 4.906 ( 0.451 0.534 -3.242) 3.317 4.958 ( -2.315 -1.136 1.607) 3.039 4.999 ( -0.483 -0.574 -0.982) 1.236 5.028 ( -1.980 0.900 -0.826) 2.327 5.091 ( -0.681 0.730 0.202) 1.019 5.161 ( 3.435 -0.040 2.120) 4.037 5.179 ( 4.233 -1.741 0.689) 4.628 5.198 ( 2.683 -2.535 -1.057) 3.839 5.244 ( 0.024 1.750 -0.486) 1.817 5.293 ( 0.952 -1.425 2.862) 3.336 5.382 ( -1.920 0.074 -2.202) 2.922 5.407 ( -1.963 -0.061 0.664) 2.074 5.466 ( 0.946 -0.549 -2.391) 2.629 5.540 ( -0.280 1.255 1.022) 1.643 5.572 ( -0.678 -1.790 0.289) 1.936 5.613 ( 0.181 -0.305 0.198) 0.406 5.621 ( 0.274 1.181 -1.357) 1.819 5.679 ( -0.643 0.048 -0.393) 0.755 5.721 ( 0.921 -0.665 -1.902) 2.215 5.760 ( 2.626 -0.445 0.398) 2.693 5.972 ( -0.298 0.284 -1.777) 1.824 6.029 ( 0.920 1.740 4.351) 4.775 6.236 ( 4.050 8.687 1.234) 9.664 6.325 ( -2.842 2.813 5.793) 7.039 6.493 ( 7.118 -2.143 0.842) 7.481 6.559 ( 1.253 -3.996 -7.113) 8.254 6.669 ( -3.012 -1.571 -5.334) 6.324 6.901 ( -0.311 4.122 2.236) 4.700 6.963 ( -2.081 -4.059 6.147) 7.655 7.179 ( 0.872 -6.527 -1.580) 6.772 7.703 ( -0.804 3.310 -0.682) 3.474 7.778 ( 0.263 -3.008 -0.898) 3.150 ======================= Grid point 31 (20/57) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -0.000 17.046 -0.000) 17.046 1.452 ( -0.000 17.672 -0.000) 17.672 1.571 ( -0.000 4.807 -0.000) 4.807 1.635 ( -0.000 5.459 -0.000) 5.459 1.761 ( -0.000 0.279 -0.000) 0.279 1.789 ( 0.000 -5.544 0.000) 5.544 1.852 ( 0.000 -5.601 0.000) 5.601 1.878 ( 0.000 -1.050 0.000) 1.050 1.947 ( 0.000 -0.932 0.000) 0.932 2.024 ( 0.000 -3.940 0.000) 3.940 2.031 ( 0.000 -6.439 0.000) 6.439 2.083 ( -0.000 6.329 -0.000) 6.329 2.162 ( 0.000 -8.954 0.000) 8.954 2.203 ( 0.000 -5.926 0.000) 5.926 2.221 ( -0.000 7.197 -0.000) 7.197 2.261 ( 0.000 -1.672 0.000) 1.672 2.314 ( -0.000 1.691 -0.000) 1.691 2.394 ( -0.000 0.921 -0.000) 0.921 2.459 ( 0.000 -3.061 0.000) 3.061 2.494 ( 0.000 -5.767 0.000) 5.767 2.521 ( 0.000 -3.130 0.000) 3.130 2.658 ( 0.000 -0.253 0.000) 0.253 2.796 ( -0.000 4.022 -0.000) 4.022 3.021 ( -0.000 4.089 -0.000) 4.089 3.074 ( -0.000 6.925 -0.000) 6.925 3.153 ( 0.000 -4.013 0.000) 4.013 3.186 ( -0.000 2.924 -0.000) 2.924 3.276 ( 0.000 -9.589 0.000) 9.589 3.326 ( -0.000 1.722 -0.000) 1.722 3.422 ( 0.000 -2.018 0.000) 2.018 3.425 ( -0.000 1.545 -0.000) 1.545 3.667 ( 0.000 -8.647 0.000) 8.647 3.898 ( -0.000 3.464 -0.000) 3.464 4.659 ( -0.000 1.635 -0.000) 1.635 4.785 ( 0.000 -2.445 0.000) 2.445 4.871 ( -0.000 2.163 -0.000) 2.163 4.891 ( 0.000 -4.085 0.000) 4.085 4.922 ( 0.000 -1.838 0.000) 1.838 4.939 ( 0.000 -1.196 0.000) 1.196 5.001 ( -0.000 0.973 -0.000) 0.973 5.004 ( 0.000 -2.375 0.000) 2.375 5.089 ( 0.000 -1.159 0.000) 1.159 5.195 ( -0.000 0.214 -0.000) 0.214 5.222 ( -0.000 1.935 -0.000) 1.935 5.240 ( 0.000 -2.502 0.000) 2.502 5.252 ( 0.000 -3.051 0.000) 3.051 5.308 ( 0.000 -2.570 0.000) 2.570 5.372 ( -0.000 0.742 -0.000) 0.742 5.389 ( 0.000 -1.366 0.000) 1.366 5.492 ( 0.000 -1.923 0.000) 1.923 5.530 ( -0.000 1.638 -0.000) 1.638 5.563 ( 0.000 -0.278 0.000) 0.278 5.602 ( -0.000 2.186 -0.000) 2.186 5.638 ( 0.000 -2.852 0.000) 2.852 5.671 ( -0.000 0.051 -0.000) 0.051 5.737 ( 0.000 -1.603 0.000) 1.603 5.780 ( -0.000 1.255 -0.000) 1.255 5.960 ( -0.000 0.443 -0.000) 0.443 6.040 ( -0.000 2.388 -0.000) 2.388 6.198 ( -0.000 7.798 -0.000) 7.798 6.284 ( -0.000 2.234 -0.000) 2.234 6.505 ( -0.000 7.386 -0.000) 7.386 6.542 ( -0.000 2.362 -0.000) 2.362 6.695 ( 0.000 -5.773 0.000) 5.773 6.859 ( -0.000 3.974 -0.000) 3.974 7.054 ( 0.000 -13.471 0.000) 13.471 7.262 ( 0.000 -9.533 0.000) 9.533 7.656 ( -0.000 4.376 -0.000) 4.376 7.812 ( 0.000 -3.458 0.000) 3.458 ======================= Grid point 39 (21/57) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.000 -0.000 0.000) 0.000 1.620 ( -0.000 0.000 -0.000) 0.000 1.634 ( -0.000 0.000 -0.000) 0.000 1.677 ( 0.000 -0.000 0.000) 0.000 1.697 ( -0.000 0.000 -0.000) 0.000 1.730 ( -0.000 0.000 -0.000) 0.000 1.868 ( -0.000 0.000 -0.000) 0.000 1.910 ( -0.000 0.000 -0.000) 0.000 1.917 ( -0.000 0.000 -0.000) 0.000 1.929 ( -0.000 0.000 -0.000) 0.000 1.998 ( 0.000 -0.000 0.000) 0.000 2.021 ( -0.000 0.000 -0.000) 0.000 2.021 ( -0.000 0.000 -0.000) 0.000 2.149 ( -0.000 0.000 -0.000) 0.000 2.242 ( -0.000 0.000 -0.000) 0.000 2.272 ( -0.000 0.000 -0.000) 0.000 2.372 ( -0.000 0.000 -0.000) 0.000 2.427 ( -0.000 0.000 -0.000) 0.000 2.438 ( -0.000 0.000 -0.000) 0.000 2.461 ( -0.000 0.000 -0.000) 0.000 2.619 ( -0.000 0.000 -0.000) 0.000 2.782 ( -0.000 0.000 -0.000) 0.000 2.808 ( -0.000 0.000 -0.000) 0.000 2.838 ( -0.000 0.000 -0.000) 0.000 3.108 ( -0.000 0.000 -0.000) 0.000 3.159 ( -0.000 0.000 -0.000) 0.000 3.204 ( -0.000 0.000 -0.000) 0.000 3.231 ( -0.000 0.000 -0.000) 0.000 3.345 ( -0.000 0.000 -0.000) 0.000 3.401 ( -0.000 0.000 -0.000) 0.000 3.499 ( 0.000 -0.000 0.000) 0.000 3.510 ( -0.000 0.000 -0.000) 0.000 3.935 ( -0.000 0.000 -0.000) 0.000 4.677 ( -0.000 0.000 -0.000) 0.000 4.760 ( -0.000 0.000 -0.000) 0.000 4.835 ( -0.000 0.000 -0.000) 0.000 4.867 ( -0.000 0.000 -0.000) 0.000 4.923 ( -0.000 0.000 -0.000) 0.000 4.926 ( -0.000 0.000 -0.000) 0.000 4.992 ( -0.000 0.000 -0.000) 0.000 5.011 ( -0.000 0.000 -0.000) 0.000 5.087 ( -0.000 0.000 -0.000) 0.000 5.193 ( -0.000 0.000 -0.000) 0.000 5.213 ( -0.000 0.000 -0.000) 0.000 5.223 ( -0.000 0.000 -0.000) 0.000 5.244 ( -0.000 0.000 -0.000) 0.000 5.284 ( -0.000 0.000 -0.000) 0.000 5.375 ( -0.000 0.000 -0.000) 0.000 5.381 ( -0.000 0.000 -0.000) 0.000 5.468 ( -0.000 0.000 -0.000) 0.000 5.553 ( -0.000 0.000 -0.000) 0.000 5.558 ( -0.000 0.000 -0.000) 0.000 5.604 ( -0.000 0.000 -0.000) 0.000 5.625 ( -0.000 0.000 -0.000) 0.000 5.671 ( -0.000 0.000 -0.000) 0.000 5.721 ( -0.000 0.000 -0.000) 0.000 5.794 ( -0.000 0.000 -0.000) 0.000 5.966 ( -0.000 0.000 -0.000) 0.000 6.066 ( -0.000 0.000 -0.000) 0.000 6.307 ( -0.000 0.000 -0.000) 0.000 6.328 ( -0.000 0.000 -0.000) 0.000 6.488 ( -0.000 0.000 -0.000) 0.000 6.614 ( -0.000 0.000 -0.000) 0.000 6.640 ( -0.000 0.000 -0.000) 0.000 6.882 ( -0.000 0.000 -0.000) 0.000 6.948 ( -0.000 0.000 -0.000) 0.000 7.143 ( -0.000 0.000 -0.000) 0.000 7.720 ( 0.000 -0.000 0.000) 0.000 7.754 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 69 (22/57) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -8.138 -0.000 25.607) 26.869 0.640 ( 9.545 0.000 25.588) 27.310 0.943 ( 3.395 0.000 39.162) 39.309 1.199 ( 6.455 0.000 -20.769) 21.749 1.215 ( -7.980 -0.000 -19.617) 21.178 1.825 ( 0.235 0.000 2.077) 2.090 1.839 ( -1.478 -0.000 3.664) 3.951 1.865 ( -0.677 -0.000 -33.822) 33.829 1.973 ( -0.534 -0.000 -0.970) 1.107 1.981 ( 0.695 0.000 -0.475) 0.842 2.233 ( 1.893 0.000 0.416) 1.938 2.260 ( -0.843 -0.000 3.548) 3.647 2.388 ( 2.851 0.000 0.622) 2.918 2.403 ( -3.612 -0.000 0.229) 3.620 2.423 ( 1.276 0.000 2.264) 2.599 2.520 ( 0.732 0.000 -0.223) 0.765 2.534 ( -0.470 -0.000 -0.671) 0.819 2.535 ( -0.711 -0.000 0.731) 1.020 2.555 ( -2.606 -0.000 -0.832) 2.736 2.609 ( -1.845 -0.000 -0.071) 1.847 2.637 ( 1.956 0.000 -1.267) 2.330 2.638 ( 3.332 0.000 -2.281) 4.037 2.884 ( -1.289 -0.000 -0.911) 1.578 2.915 ( 0.524 0.000 1.005) 1.133 2.922 ( -1.576 -0.000 -0.199) 1.589 3.205 ( 6.934 0.000 -0.013) 6.934 3.260 ( -3.808 -0.000 3.262) 5.014 3.279 ( -5.497 -0.000 0.096) 5.498 3.302 ( 0.610 0.000 1.244) 1.385 3.485 ( 2.060 0.000 19.733) 19.840 3.600 ( 0.422 0.000 -0.295) 0.515 3.602 ( 0.154 0.000 0.372) 0.403 3.934 ( -0.153 -0.000 -13.770) 13.771 4.590 ( 0.786 0.000 0.607) 0.993 4.658 ( -0.752 -0.000 2.021) 2.156 4.817 ( 1.763 0.000 -3.802) 4.191 4.852 ( 0.416 0.000 -2.047) 2.089 4.954 ( -0.428 -0.000 0.687) 0.809 4.961 ( -0.332 -0.000 0.923) 0.981 5.073 ( 0.345 0.000 -0.779) 0.852 5.120 ( -1.589 -0.000 0.822) 1.789 5.207 ( 0.346 0.000 1.006) 1.063 5.214 ( -0.144 -0.000 -1.206) 1.214 5.310 ( -0.364 -0.000 0.084) 0.373 5.337 ( -1.411 -0.000 2.454) 2.830 5.392 ( -0.667 -0.000 0.558) 0.869 5.411 ( 1.591 0.000 -1.029) 1.895 5.421 ( 2.606 0.000 -4.040) 4.808 5.454 ( 0.110 0.000 0.109) 0.155 5.513 ( 0.483 0.000 -0.623) 0.788 5.513 ( 0.529 0.000 0.443) 0.690 5.559 ( 2.211 0.000 3.655) 4.272 5.602 ( -2.610 -0.000 2.015) 3.298 5.635 ( -4.480 -0.000 -2.167) 4.976 5.655 ( -0.132 -0.000 -1.660) 1.666 5.828 ( -0.046 -0.000 0.793) 0.794 5.975 ( 0.741 0.000 0.543) 0.919 5.991 ( 0.735 0.000 0.240) 0.773 6.023 ( 2.295 0.000 -1.143) 2.564 6.068 ( 1.372 0.000 0.701) 1.541 6.197 ( -2.858 -0.000 0.614) 2.923 6.201 ( -3.635 -0.000 -0.971) 3.762 6.281 ( 0.857 0.000 -0.124) 0.866 6.294 ( 2.179 0.000 0.596) 2.259 7.243 ( 0.327 0.000 1.681) 1.712 7.455 ( 0.046 0.000 -0.005) 0.047 7.537 ( -0.401 -0.000 -1.492) 1.544 7.778 ( -1.079 -0.000 -0.135) 1.088 7.819 ( 1.034 0.000 0.459) 1.131 ======================= Grid point 70 (23/57) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 8.695 -2.911 17.552) 19.803 0.859 ( 1.120 -14.034 22.063) 26.172 1.014 ( -5.546 -2.352 -21.862) 22.676 1.241 ( 10.659 6.376 -19.475) 23.098 1.413 ( 25.038 -6.098 28.512) 38.432 1.820 ( -0.860 -0.563 2.876) 3.054 1.845 ( 0.302 0.615 0.871) 1.108 1.891 ( 6.987 -7.635 -20.554) 23.013 1.983 ( 1.785 0.611 0.178) 1.896 2.028 ( 3.494 -5.600 -6.692) 9.399 2.239 ( -1.491 1.424 3.013) 3.651 2.259 ( 0.273 1.624 0.394) 1.694 2.305 ( -5.722 2.623 -1.057) 6.383 2.374 ( -5.900 4.293 0.838) 7.344 2.399 ( -4.840 2.018 0.641) 5.283 2.408 ( -4.135 2.237 -0.759) 4.762 2.422 ( -2.739 1.226 -0.778) 3.100 2.507 ( -4.173 0.412 -0.073) 4.194 2.551 ( -2.021 -2.041 0.952) 3.026 2.603 ( 1.138 1.088 0.052) 1.575 2.672 ( -1.439 1.679 -1.320) 2.575 2.727 ( 2.596 1.080 -1.061) 3.005 2.749 ( -5.531 1.557 0.094) 5.747 2.836 ( -6.892 7.389 -2.577) 10.427 2.924 ( -1.497 -1.745 1.183) 2.586 3.097 ( -5.035 4.246 4.681) 8.080 3.249 ( 2.058 -5.277 -5.740) 8.064 3.343 ( 3.497 0.906 4.825) 6.028 3.404 ( 3.362 -2.652 5.907) 7.296 3.559 ( -0.911 -0.712 9.088) 9.161 3.595 ( -1.004 0.654 0.002) 1.198 3.626 ( 3.983 -0.764 2.798) 4.927 3.835 ( -4.033 2.280 -12.777) 13.591 4.645 ( 3.590 1.363 0.676) 3.899 4.699 ( 3.644 -3.753 -0.278) 5.238 4.824 ( 0.745 1.263 -3.167) 3.489 4.861 ( 1.329 -1.781 -2.197) 3.126 4.948 ( -1.997 -1.194 0.736) 2.440 4.958 ( 0.624 0.024 1.155) 1.313 5.062 ( -1.592 -0.151 -0.695) 1.744 5.109 ( -0.461 0.148 2.407) 2.456 5.187 ( -1.571 1.230 -0.939) 2.205 5.200 ( -1.280 0.436 0.894) 1.621 5.282 ( -1.786 2.238 0.989) 3.029 5.317 ( -0.713 -1.267 0.449) 1.521 5.375 ( -1.705 2.446 -0.708) 3.065 5.402 ( -0.794 2.505 -1.940) 3.266 5.448 ( -0.755 0.024 -1.654) 1.818 5.480 ( -0.543 -0.131 -0.850) 1.018 5.505 ( 0.088 -2.701 -0.167) 2.707 5.529 ( 0.419 1.445 0.769) 1.690 5.538 ( 0.083 2.596 0.078) 2.599 5.560 ( -3.943 -0.863 1.443) 4.287 5.621 ( 3.350 0.314 3.324) 4.730 5.676 ( 1.710 -1.309 -1.257) 2.494 5.801 ( -2.537 1.594 0.599) 3.055 5.919 ( -5.391 2.508 -2.506) 6.452 5.956 ( 1.019 4.688 1.918) 5.167 6.025 ( -1.727 1.172 -1.572) 2.613 6.042 ( -0.445 0.283 -0.390) 0.656 6.173 ( -4.033 -5.946 0.372) 7.194 6.252 ( 6.235 1.586 4.159) 7.661 6.367 ( 7.537 -2.592 -3.034) 8.528 6.411 ( 7.345 -6.176 0.216) 9.599 7.177 ( -6.304 4.115 0.569) 7.550 7.467 ( -5.593 2.816 -0.574) 6.289 7.487 ( 2.362 -1.830 -0.066) 2.988 7.660 ( -9.283 3.761 1.722) 10.163 7.843 ( 0.265 -1.222 -0.827) 1.499 ======================= Grid point 71 (24/57) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 11.427 -6.391 -2.776) 13.384 1.042 ( 10.154 -13.652 -0.161) 17.015 1.105 ( 10.165 -8.388 6.530) 14.708 1.321 ( 12.149 4.340 -13.997) 19.036 1.802 ( -2.370 -0.211 0.166) 2.385 1.829 ( -1.021 1.108 1.645) 2.231 1.914 ( 10.999 -1.216 9.204) 14.394 1.989 ( 3.737 -2.496 4.299) 6.219 2.032 ( 6.002 -0.886 6.982) 9.250 2.115 ( -2.143 1.738 -1.868) 3.332 2.155 ( -1.689 -1.504 -5.347) 5.806 2.220 ( -4.168 -0.233 -1.164) 4.334 2.224 ( -5.953 6.008 2.325) 8.771 2.249 ( 0.846 -3.204 -1.138) 3.504 2.300 ( -0.774 3.514 0.037) 3.599 2.329 ( -2.891 0.925 -2.280) 3.797 2.397 ( -7.139 2.324 -0.098) 7.508 2.430 ( -0.841 -1.541 -5.820) 6.079 2.479 ( -6.879 2.214 -1.742) 7.433 2.529 ( -5.510 -0.441 -0.692) 5.570 2.587 ( -1.057 3.512 -1.865) 4.114 2.632 ( -6.039 4.520 0.082) 7.544 2.689 ( -1.508 1.707 0.466) 2.325 2.735 ( 2.181 3.396 1.262) 4.229 2.965 ( 2.719 -3.636 0.057) 4.540 3.081 ( 1.200 -0.315 7.208) 7.314 3.301 ( -1.386 -3.910 -4.736) 6.296 3.361 ( 0.296 1.426 4.560) 4.787 3.450 ( -1.362 1.595 -1.224) 2.429 3.499 ( -5.390 3.497 2.111) 6.763 3.587 ( -0.820 -2.221 3.151) 3.941 3.697 ( -1.711 2.338 -9.478) 9.911 3.755 ( 4.038 -1.334 2.550) 4.958 4.696 ( 3.137 -0.641 0.946) 3.339 4.770 ( 1.454 -1.304 -3.303) 3.837 4.835 ( 2.151 -1.090 0.005) 2.412 4.887 ( 0.346 -0.632 -2.175) 2.291 4.925 ( -2.643 -1.981 0.583) 3.354 4.995 ( 2.531 -1.455 2.091) 3.591 5.029 ( -2.292 -0.183 0.139) 2.304 5.083 ( -3.225 1.849 1.270) 3.928 5.150 ( -2.177 0.022 1.305) 2.538 5.177 ( -0.907 1.353 0.695) 1.771 5.229 ( -2.282 1.903 0.160) 2.976 5.279 ( -3.098 4.244 -1.359) 5.427 5.317 ( -2.079 -1.138 -1.660) 2.894 5.343 ( -2.034 2.572 0.801) 3.375 5.384 ( -2.532 2.200 -1.479) 3.666 5.471 ( -1.187 -1.374 0.037) 1.816 5.487 ( -1.362 2.075 -1.217) 2.764 5.534 ( 1.285 0.207 1.627) 2.084 5.536 ( -0.000 -0.187 0.249) 0.312 5.581 ( 2.523 -0.156 0.423) 2.563 5.652 ( -0.023 0.369 -1.470) 1.516 5.709 ( 0.293 -1.626 -0.184) 1.663 5.735 ( -2.586 2.305 0.230) 3.472 5.820 ( -1.414 4.465 -1.245) 4.847 5.950 ( 1.676 3.819 0.715) 4.231 5.994 ( 0.680 0.359 -0.311) 0.829 6.044 ( -0.891 -2.491 2.904) 3.928 6.183 ( -1.383 -6.304 -0.862) 6.512 6.367 ( 8.446 1.646 5.065) 9.985 6.515 ( 8.029 -2.854 -5.992) 10.417 6.606 ( 7.757 -7.054 0.624) 10.503 6.973 ( -11.469 7.043 -1.277) 13.520 7.307 ( -8.949 4.610 0.958) 10.112 7.464 ( -10.201 4.371 2.396) 11.353 7.564 ( 3.588 -3.100 -0.047) 4.742 7.836 ( -1.669 -0.238 -0.841) 1.884 ======================= Grid point 72 (25/57) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 11.918 -4.742 -1.137) 12.877 1.396 ( 12.025 -11.737 -0.061) 16.804 1.409 ( 12.337 -6.723 6.517) 15.488 1.466 ( 13.274 -0.547 -8.542) 15.795 1.734 ( -3.910 5.845 -3.694) 7.943 1.771 ( -4.073 -0.939 -1.090) 4.320 1.858 ( -4.053 0.326 3.780) 5.551 1.973 ( -4.714 2.223 -0.593) 5.245 2.007 ( -7.783 4.747 0.932) 9.164 2.100 ( -2.598 1.467 0.459) 3.019 2.119 ( -2.884 3.009 -0.309) 4.180 2.152 ( -4.015 2.680 5.796) 7.543 2.173 ( -4.533 1.221 0.992) 4.798 2.192 ( -5.490 1.063 -4.816) 7.380 2.219 ( -0.521 2.458 1.028) 2.714 2.308 ( 0.829 -0.769 -4.592) 4.729 2.332 ( -1.155 -0.124 2.924) 3.146 2.414 ( -7.303 0.359 -1.277) 7.422 2.438 ( 2.631 -2.413 1.170) 3.757 2.492 ( -0.914 5.881 -0.031) 5.952 2.555 ( 1.486 -1.091 3.110) 3.615 2.656 ( 11.753 -1.927 2.073) 12.089 2.708 ( 6.989 -5.916 -8.251) 12.326 2.810 ( 6.419 -1.123 3.724) 7.505 3.034 ( -1.652 -3.070 2.223) 4.134 3.138 ( 3.576 1.304 2.814) 4.733 3.230 ( -6.363 2.349 2.928) 7.388 3.261 ( -10.814 5.708 1.528) 12.323 3.384 ( -0.047 -3.796 -0.891) 3.899 3.448 ( 0.655 3.043 -4.967) 5.861 3.580 ( -3.924 -2.339 -3.381) 5.683 3.607 ( -2.111 2.263 -2.818) 4.186 3.856 ( 3.898 -0.789 3.210) 5.111 4.757 ( 2.608 -0.928 -0.342) 2.789 4.790 ( 1.542 -0.788 -0.251) 1.750 4.865 ( -2.221 -1.924 -1.725) 3.407 4.884 ( 0.352 -0.614 -0.167) 0.727 4.914 ( -1.050 -0.897 1.741) 2.222 4.985 ( -2.204 0.026 0.223) 2.215 5.020 ( 0.025 1.908 -1.371) 2.349 5.034 ( -0.413 0.422 0.626) 0.861 5.104 ( -2.562 0.963 0.699) 2.825 5.154 ( -2.015 1.554 0.778) 2.661 5.184 ( -1.611 -0.470 0.948) 1.928 5.209 ( -1.758 2.791 -0.937) 3.429 5.258 ( -2.960 -1.433 -0.344) 3.307 5.327 ( 0.493 -0.694 -0.153) 0.865 5.365 ( 1.386 1.317 -1.565) 2.471 5.433 ( -1.342 3.516 -0.265) 3.772 5.472 ( -1.198 -2.827 0.669) 3.143 5.541 ( 1.105 1.200 -0.329) 1.664 5.557 ( 1.679 0.849 0.877) 2.076 5.616 ( 0.369 -1.490 1.108) 1.893 5.634 ( 0.335 0.550 -4.213) 4.262 5.664 ( -2.953 1.490 0.827) 3.409 5.719 ( -0.079 1.561 -0.453) 1.627 5.766 ( -0.794 2.737 -0.460) 2.887 5.942 ( 0.915 2.492 2.797) 3.856 6.012 ( -1.429 -3.109 2.088) 4.008 6.125 ( 6.650 -2.236 4.143) 8.148 6.233 ( 1.954 -4.079 -3.614) 5.789 6.509 ( 5.366 0.136 1.658) 5.618 6.624 ( 4.105 -1.121 -6.501) 7.770 6.694 ( -8.048 6.340 0.944) 10.289 6.796 ( 5.771 -4.908 -0.574) 7.598 7.122 ( -7.756 3.896 1.913) 8.888 7.258 ( -10.534 4.530 1.598) 11.578 7.645 ( 2.352 -2.858 -0.339) 3.717 7.800 ( -1.729 0.589 -0.106) 1.829 ======================= Grid point 73 (26/57) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -12.733 2.115 4.651) 13.719 1.436 ( 12.478 -3.391 -2.927) 13.258 1.624 ( 1.148 3.329 -2.692) 4.432 1.651 ( 0.534 -0.001 -3.646) 3.685 1.727 ( -1.739 -1.635 -1.705) 2.933 1.741 ( 5.445 -2.597 1.414) 6.196 1.855 ( 2.624 -0.603 -1.294) 2.988 1.893 ( 0.992 -1.662 -2.440) 3.114 1.917 ( 1.470 -1.515 2.216) 3.060 1.948 ( -3.193 3.067 -0.020) 4.427 1.998 ( -8.342 0.638 2.723) 8.798 2.096 ( 0.059 -1.112 0.519) 1.228 2.178 ( -1.533 -1.282 4.667) 5.077 2.188 ( 4.132 1.859 -2.132) 5.007 2.215 ( 0.217 0.132 -3.944) 3.952 2.302 ( -2.320 -2.343 4.845) 5.860 2.313 ( 0.460 2.176 0.616) 2.308 2.351 ( 1.109 -0.887 -4.459) 4.680 2.425 ( 0.239 -2.210 -0.800) 2.363 2.442 ( -0.087 4.786 0.385) 4.803 2.594 ( 0.924 0.225 2.230) 2.424 2.782 ( -18.193 10.861 3.299) 21.444 2.802 ( 2.318 2.442 2.522) 4.207 2.935 ( 9.603 -6.550 -3.467) 12.130 3.019 ( 10.401 -6.350 1.093) 12.235 3.105 ( -3.755 3.131 -2.393) 5.444 3.159 ( -0.324 -2.455 7.275) 7.685 3.224 ( 1.514 0.540 1.369) 2.111 3.385 ( -4.313 -1.587 -2.155) 5.076 3.457 ( 5.832 2.472 -1.051) 6.421 3.516 ( -3.850 -3.288 -8.143) 9.589 3.554 ( -1.674 0.156 -0.214) 1.695 3.900 ( 0.506 1.120 2.806) 3.063 4.792 ( 1.196 -0.734 0.606) 1.529 4.817 ( -0.173 0.132 0.360) 0.421 4.839 ( -0.208 0.182 -0.798) 0.844 4.894 ( 0.919 1.388 -1.130) 2.012 4.908 ( -1.342 -1.888 -0.282) 2.334 4.965 ( -0.702 1.047 1.742) 2.150 5.008 ( 0.549 0.949 0.407) 1.170 5.042 ( 0.788 -0.276 -0.143) 0.847 5.058 ( -1.074 0.222 -0.555) 1.229 5.116 ( 0.789 0.007 -2.732) 2.844 5.159 ( -0.645 -0.022 0.198) 0.675 5.186 ( 0.087 -0.419 0.901) 0.997 5.269 ( -0.395 -2.056 1.275) 2.452 5.339 ( -0.852 -1.518 -2.028) 2.672 5.352 ( -0.401 2.164 -0.102) 2.204 5.403 ( 1.320 1.910 0.704) 2.426 5.492 ( -0.823 -3.694 1.920) 4.244 5.548 ( 0.836 0.485 -0.633) 1.156 5.575 ( 1.377 0.874 -1.795) 2.426 5.602 ( -2.463 0.006 0.348) 2.487 5.629 ( 0.360 0.181 -1.808) 1.852 5.641 ( 0.656 0.488 1.502) 1.710 5.715 ( 1.960 1.201 0.256) 2.313 5.731 ( -1.445 0.442 -1.228) 1.947 5.946 ( 0.988 2.007 2.993) 3.737 6.023 ( -2.154 -3.590 3.503) 5.459 6.223 ( -0.063 0.154 3.301) 3.305 6.311 ( -2.785 3.438 -1.979) 4.847 6.396 ( 2.837 -2.264 -2.141) 4.214 6.616 ( -2.016 2.997 -7.601) 8.415 6.738 ( 3.256 -4.764 -0.342) 5.781 6.904 ( 5.476 2.303 4.225) 7.290 7.037 ( -7.579 7.315 2.884) 10.921 7.094 ( 1.888 -7.125 -1.214) 7.470 7.673 ( -0.546 -0.144 -0.648) 0.859 7.789 ( 0.391 -0.901 0.200) 1.003 ======================= Grid point 74 (27/57) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -17.522 2.643 5.283) 18.491 1.396 ( -17.908 6.018 -3.839) 19.278 1.495 ( -9.216 8.054 -7.694) 14.457 1.654 ( 4.774 2.318 -7.001) 8.785 1.689 ( 1.686 -1.015 -0.782) 2.117 1.758 ( 2.193 -2.283 -0.084) 3.167 1.886 ( -1.360 0.745 3.098) 3.465 1.972 ( 1.388 -3.043 -0.002) 3.345 1.991 ( 5.764 -3.895 4.547) 8.311 2.033 ( 4.198 -5.180 4.613) 8.107 2.071 ( 8.955 -4.312 -0.278) 9.943 2.119 ( -1.578 2.908 -0.940) 3.439 2.176 ( 4.627 2.324 0.978) 5.270 2.194 ( -1.454 -4.374 -1.303) 4.790 2.285 ( 5.077 0.450 -2.806) 5.818 2.319 ( -6.395 3.956 2.529) 7.933 2.336 ( 1.399 0.013 0.815) 1.619 2.351 ( -4.801 4.803 6.898) 9.679 2.399 ( 1.886 -3.833 1.004) 4.388 2.427 ( 3.503 -0.564 -0.173) 3.553 2.495 ( 2.892 -2.026 -0.893) 3.643 2.635 ( 2.828 -0.580 1.150) 3.107 2.783 ( -3.012 2.757 -1.929) 4.516 2.909 ( -6.483 3.977 -3.546) 8.392 3.089 ( -1.375 -0.612 0.460) 1.574 3.175 ( -1.589 1.336 -0.006) 2.076 3.255 ( 6.386 -1.390 -1.845) 6.791 3.263 ( 2.628 -6.584 3.670) 7.983 3.340 ( -0.872 -3.024 2.186) 3.832 3.441 ( -1.417 3.943 2.356) 4.807 3.478 ( -0.822 -3.387 -7.149) 7.953 3.647 ( 8.227 -1.943 -2.403) 8.788 3.868 ( -2.851 2.618 2.140) 4.423 4.757 ( -4.011 1.512 -0.311) 4.298 4.800 ( -2.735 1.840 -1.120) 3.481 4.850 ( 2.327 2.032 -0.782) 3.187 4.868 ( 0.645 -0.465 0.620) 1.008 4.941 ( 1.269 -0.891 -0.132) 1.557 4.978 ( 2.863 0.911 2.014) 3.617 5.006 ( 0.180 0.991 -0.022) 1.007 5.041 ( 0.406 -1.606 0.688) 1.794 5.102 ( 3.657 -2.337 -1.380) 4.554 5.163 ( 4.614 0.460 -0.576) 4.672 5.184 ( 0.648 -3.907 0.575) 4.001 5.225 ( 3.741 -0.506 0.844) 3.869 5.241 ( -2.780 0.675 -0.455) 2.897 5.331 ( 0.302 0.667 -0.714) 1.023 5.348 ( -0.100 -2.083 -0.390) 2.122 5.419 ( 1.124 0.087 0.818) 1.393 5.511 ( -2.152 -3.646 0.205) 4.239 5.552 ( 0.082 1.113 -2.105) 2.383 5.563 ( -0.612 -0.457 -0.638) 0.995 5.572 ( -1.129 -0.210 0.084) 1.151 5.630 ( -0.158 1.731 -0.231) 1.754 5.663 ( 1.677 -1.548 1.448) 2.703 5.724 ( 1.201 -0.203 -1.534) 1.959 5.751 ( 3.184 0.690 1.591) 3.625 5.951 ( 0.433 0.722 1.205) 1.470 6.024 ( -2.223 -2.157 2.310) 3.864 6.095 ( -8.498 2.231 -1.190) 8.866 6.254 ( 0.054 2.031 6.685) 6.987 6.468 ( -4.802 5.111 -5.182) 8.720 6.607 ( 6.922 -2.943 -2.589) 7.954 6.750 ( -1.479 1.828 0.923) 2.526 6.811 ( -8.773 -0.498 -3.530) 9.470 7.096 ( 11.588 -2.772 3.367) 12.382 7.274 ( 9.416 -6.129 0.793) 11.263 7.636 ( -2.579 2.050 0.119) 3.296 7.818 ( 1.438 -1.775 -1.059) 2.518 ======================= Grid point 75 (28/57) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -18.816 -1.738 9.875) 21.321 0.967 ( -26.030 3.135 -1.140) 26.243 1.257 ( -6.830 4.636 -14.945) 17.073 1.539 ( -1.366 9.359 -14.880) 17.632 1.707 ( -19.829 20.499 17.743) 33.589 1.740 ( -0.032 -2.555 6.020) 6.540 1.854 ( 2.013 1.579 0.525) 2.612 1.942 ( 4.168 -2.599 2.596) 5.556 2.016 ( -1.749 1.580 2.271) 3.273 2.100 ( 3.569 -3.520 5.168) 7.200 2.173 ( 5.084 -3.850 -0.504) 6.397 2.192 ( 4.419 -1.921 1.158) 4.955 2.245 ( 0.219 -2.286 -0.857) 2.451 2.268 ( 5.811 0.244 -1.343) 5.969 2.343 ( 1.467 0.631 -3.544) 3.887 2.362 ( 7.083 -4.173 -1.180) 8.305 2.405 ( -0.663 -4.265 1.423) 4.545 2.411 ( 8.340 -1.356 0.079) 8.450 2.459 ( 7.198 -3.288 -2.184) 8.210 2.569 ( 5.058 -4.621 -1.546) 7.023 2.582 ( 2.821 -5.638 -1.253) 6.427 2.633 ( -3.638 1.528 -7.024) 8.057 2.711 ( 2.680 -2.513 -0.757) 3.751 2.789 ( -2.565 5.049 -2.272) 6.102 3.015 ( -2.956 1.227 -0.984) 3.349 3.144 ( -4.199 -1.174 1.926) 4.767 3.237 ( -1.447 2.643 0.757) 3.106 3.339 ( -1.627 0.585 15.489) 15.585 3.382 ( 0.016 -3.260 -1.986) 3.817 3.460 ( 2.713 -1.553 -1.255) 3.369 3.529 ( 4.175 -1.552 -0.637) 4.499 3.713 ( -2.259 3.249 -1.618) 4.275 3.831 ( 3.041 -1.229 -3.455) 4.764 4.683 ( -3.040 1.017 0.898) 3.329 4.735 ( -2.805 1.631 0.486) 3.281 4.830 ( 0.184 2.890 -1.175) 3.125 4.889 ( -0.457 -0.150 -1.773) 1.837 4.943 ( 0.678 1.474 -0.223) 1.638 4.991 ( -0.972 0.783 1.045) 1.628 5.031 ( 2.065 0.408 1.019) 2.339 5.102 ( 3.397 -2.942 0.257) 4.501 5.175 ( -0.183 -1.828 1.330) 2.268 5.203 ( 0.399 -0.061 -1.396) 1.453 5.233 ( 2.390 -3.604 0.399) 4.342 5.249 ( 5.320 -0.831 -0.814) 5.446 5.304 ( 3.260 0.977 -0.889) 3.518 5.345 ( 2.176 -2.937 0.799) 3.741 5.383 ( 1.419 -2.993 -1.544) 3.655 5.440 ( 1.415 0.688 1.576) 2.227 5.489 ( -1.520 -1.569 -1.510) 2.656 5.535 ( -1.812 -0.113 0.653) 1.930 5.559 ( 0.431 0.169 -0.381) 0.599 5.589 ( 2.070 -0.407 1.769) 2.753 5.599 ( -1.398 1.086 -0.610) 1.872 5.710 ( 0.511 -0.427 -0.336) 0.746 5.736 ( 2.185 -0.091 0.131) 2.191 5.825 ( 4.482 -0.876 1.605) 4.841 5.941 ( -2.631 -0.513 -0.882) 2.822 5.992 ( -1.528 -0.709 -0.813) 1.870 6.014 ( -0.848 -0.811 1.342) 1.782 6.260 ( -1.152 0.007 8.220) 8.300 6.328 ( -3.088 5.507 -6.260) 8.891 6.553 ( -9.709 -0.032 -4.864) 10.859 6.569 ( -7.488 8.670 3.177) 11.888 6.957 ( 10.637 -6.780 -0.321) 12.618 7.320 ( 9.428 -5.432 0.243) 10.884 7.491 ( 9.968 -4.740 0.849) 11.071 7.560 ( -3.479 2.592 0.140) 4.341 7.849 ( 0.787 -0.755 -1.678) 2.002 ======================= Grid point 76 (29/57) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -10.337 5.266 14.384) 18.479 0.670 ( -17.516 -12.610 23.255) 31.728 1.109 ( -6.756 4.364 -5.138) 9.544 1.243 ( -10.803 16.888 9.258) 22.083 1.396 ( -3.721 7.060 -14.413) 16.475 1.786 ( 0.959 -1.555 5.941) 6.216 1.856 ( -0.165 1.856 2.111) 2.816 1.972 ( -0.965 -0.115 -1.811) 2.055 1.991 ( -0.816 0.751 -0.834) 1.388 2.122 ( -9.954 3.948 -22.726) 25.122 2.193 ( 1.974 -1.151 2.248) 3.205 2.248 ( 1.041 -0.345 3.253) 3.433 2.307 ( 4.930 -2.502 -1.783) 5.809 2.368 ( 5.141 -2.786 0.575) 5.876 2.376 ( 5.233 -2.805 -0.397) 5.951 2.408 ( 3.598 -1.823 0.963) 4.147 2.468 ( 2.647 0.932 2.045) 3.472 2.483 ( 2.685 -5.360 -3.871) 7.136 2.596 ( -0.789 -4.418 1.909) 4.877 2.617 ( 2.679 2.049 -1.716) 3.784 2.679 ( -3.110 0.310 1.747) 3.581 2.684 ( -0.724 2.117 -3.754) 4.370 2.750 ( 8.250 -2.863 0.107) 8.734 2.814 ( 8.391 -5.133 -2.005) 10.039 3.023 ( -1.263 -3.314 -6.569) 7.465 3.074 ( 0.322 1.508 7.365) 7.524 3.211 ( 0.592 0.390 -0.543) 0.893 3.355 ( -0.410 2.503 14.865) 15.079 3.402 ( -3.472 -2.789 4.630) 6.424 3.445 ( -3.224 2.647 2.006) 4.629 3.587 ( 1.660 -0.224 0.316) 1.705 3.617 ( -2.471 2.086 -0.109) 3.236 3.904 ( 4.495 -2.399 -8.918) 10.271 4.633 ( -3.622 0.056 1.091) 3.783 4.686 ( -1.869 1.550 1.704) 2.966 4.808 ( 0.562 1.033 -2.847) 3.081 4.855 ( -0.727 1.249 -1.343) 1.973 4.951 ( 1.033 0.302 0.049) 1.078 4.970 ( -1.016 0.468 0.238) 1.143 5.059 ( 1.381 0.011 0.355) 1.426 5.152 ( -2.279 -0.846 -0.750) 2.544 5.175 ( 1.950 -1.468 1.378) 2.803 5.212 ( 0.436 -0.397 -1.328) 1.454 5.304 ( 0.451 -0.513 -1.005) 1.215 5.307 ( 2.872 -0.622 2.733) 4.013 5.355 ( 2.896 -2.739 -1.401) 4.225 5.402 ( 2.387 1.276 -0.557) 2.764 5.424 ( -0.951 -0.875 -0.175) 1.304 5.464 ( 2.575 -0.540 0.212) 2.640 5.505 ( -0.199 1.993 0.383) 2.039 5.513 ( 1.113 -1.075 0.860) 1.771 5.523 ( -3.884 -1.931 0.379) 4.354 5.601 ( 1.242 -0.725 -0.511) 1.526 5.652 ( 2.426 -0.658 1.154) 2.766 5.687 ( -0.983 1.218 -1.671) 2.290 5.797 ( 2.646 -1.394 0.829) 3.104 5.908 ( 3.685 -2.266 0.795) 4.399 5.925 ( 1.712 -1.113 0.782) 2.187 6.004 ( 0.597 -1.176 -1.068) 1.697 6.033 ( 1.489 -1.020 0.400) 1.849 6.235 ( -1.155 3.002 -1.100) 3.400 6.262 ( -1.669 -0.757 2.323) 2.959 6.361 ( -9.204 1.509 -3.636) 10.010 6.387 ( -6.759 7.452 2.268) 10.313 7.160 ( 6.815 -3.869 1.386) 7.958 7.483 ( 0.512 -0.703 -0.660) 1.092 7.486 ( 2.257 -1.001 -0.657) 2.555 7.686 ( 7.710 -3.950 0.131) 8.663 7.838 ( -1.244 1.163 -0.936) 1.943 ======================= Grid point 78 (30/57) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 10.749 0.000 14.112) 17.739 0.907 ( 8.017 0.000 7.826) 11.203 1.037 ( 14.396 0.000 -6.285) 15.708 1.404 ( 11.545 0.000 -15.764) 19.539 1.795 ( -2.589 -0.000 2.729) 3.762 1.843 ( 0.356 0.000 0.911) 0.978 1.893 ( 19.081 0.000 12.933) 23.051 1.983 ( 14.263 0.000 -5.883) 15.428 1.997 ( -0.180 -0.000 0.247) 0.305 2.058 ( 6.399 0.000 -9.849) 11.745 2.180 ( -7.315 -0.000 2.132) 7.619 2.208 ( -6.906 -0.000 0.110) 6.907 2.237 ( -4.284 -0.000 1.538) 4.552 2.290 ( -7.425 -0.000 0.159) 7.426 2.330 ( -3.347 -0.000 -4.212) 5.380 2.380 ( 6.000 0.000 -2.325) 6.435 2.384 ( -4.871 -0.000 0.227) 4.876 2.445 ( -6.694 -0.000 -1.452) 6.849 2.476 ( -3.058 -0.000 2.954) 4.251 2.533 ( -10.973 -0.000 2.285) 11.208 2.604 ( -7.759 -0.000 0.387) 7.769 2.648 ( -7.429 -0.000 -0.412) 7.441 2.758 ( 2.995 0.000 -6.390) 7.057 2.821 ( -4.506 -0.000 8.415) 9.545 2.877 ( 3.745 0.000 -5.979) 7.055 3.069 ( -1.443 -0.000 9.072) 9.186 3.247 ( 3.493 0.000 -5.504) 6.519 3.413 ( -1.497 -0.000 6.876) 7.037 3.500 ( 7.078 0.000 4.439) 8.355 3.509 ( -5.359 -0.000 0.083) 5.360 3.559 ( -4.078 -0.000 -1.415) 4.317 3.696 ( 2.709 0.000 1.154) 2.944 3.746 ( -2.832 -0.000 -7.926) 8.417 4.695 ( 1.959 0.000 1.735) 2.617 4.751 ( 3.631 0.000 -3.785) 5.245 4.843 ( -0.338 -0.000 -3.009) 3.028 4.856 ( 1.619 0.000 1.592) 2.271 4.904 ( -1.718 -0.000 -0.967) 1.972 4.988 ( 2.244 0.000 2.144) 3.103 5.021 ( -3.055 -0.000 0.641) 3.122 5.102 ( -1.574 -0.000 2.597) 3.037 5.148 ( -3.253 -0.000 0.306) 3.267 5.190 ( -0.587 -0.000 0.210) 0.624 5.255 ( -3.016 -0.000 0.302) 3.031 5.304 ( -1.550 -0.000 -1.591) 2.222 5.340 ( -5.442 -0.000 -1.249) 5.584 5.350 ( -2.980 -0.000 0.667) 3.054 5.414 ( -3.169 -0.000 -0.582) 3.222 5.485 ( -0.758 -0.000 0.528) 0.924 5.488 ( 1.149 0.000 0.605) 1.298 5.502 ( -1.654 -0.000 -0.891) 1.879 5.537 ( 1.764 0.000 -1.198) 2.132 5.611 ( 3.709 0.000 0.020) 3.709 5.655 ( -0.717 -0.000 -0.982) 1.216 5.684 ( 0.154 0.000 -0.230) 0.277 5.758 ( -2.885 -0.000 -0.150) 2.889 5.872 ( 0.022 0.000 1.124) 1.124 5.994 ( -2.336 -0.000 -1.105) 2.584 6.015 ( -0.326 -0.000 -0.624) 0.704 6.029 ( 0.018 0.000 -1.152) 1.153 6.070 ( -0.991 -0.000 2.142) 2.360 6.409 ( 8.014 0.000 5.850) 9.922 6.503 ( 9.307 0.000 0.118) 9.307 6.506 ( 9.693 0.000 -5.192) 10.996 7.042 ( -12.392 -0.000 -0.867) 12.422 7.351 ( -9.675 -0.000 0.945) 9.721 7.505 ( -11.271 -0.000 2.236) 11.490 7.533 ( 4.020 0.000 -0.190) 4.024 7.831 ( -0.970 -0.000 -0.528) 1.104 ======================= Grid point 79 (31/57) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 10.328 -3.793 7.683) 13.420 1.143 ( 15.264 -8.287 2.422) 17.536 1.337 ( 19.208 -1.863 0.996) 19.324 1.537 ( 12.168 3.439 -12.243) 17.601 1.752 ( -3.505 -0.099 1.678) 3.888 1.816 ( -2.257 0.453 0.534) 2.363 1.902 ( -6.555 5.639 -0.530) 8.663 1.998 ( -3.215 -1.001 -0.320) 3.383 2.041 ( -7.662 0.086 2.483) 8.055 2.119 ( -5.571 -1.962 1.523) 6.099 2.132 ( -7.420 1.720 1.348) 7.735 2.184 ( 1.214 2.157 -1.158) 2.733 2.217 ( -2.693 0.770 2.683) 3.879 2.224 ( -7.212 0.239 -1.820) 7.442 2.248 ( 1.106 0.617 -3.219) 3.459 2.277 ( -1.348 -1.813 -4.799) 5.304 2.339 ( -3.509 1.342 0.871) 3.856 2.371 ( -0.371 -0.442 -1.002) 1.156 2.449 ( -2.017 0.802 1.636) 2.718 2.507 ( 3.857 -4.077 -4.916) 7.461 2.545 ( -2.931 -0.732 0.728) 3.107 2.587 ( 10.799 0.372 3.179) 11.264 2.766 ( 2.635 5.403 -4.407) 7.453 2.816 ( 4.130 0.921 5.986) 7.331 2.940 ( 0.483 -5.517 -1.519) 5.743 3.118 ( 2.533 -1.649 9.198) 9.682 3.299 ( 3.262 0.614 -1.307) 3.567 3.360 ( -9.597 5.142 -0.085) 10.888 3.374 ( -3.452 2.325 4.041) 5.802 3.466 ( -5.197 -1.800 -4.814) 7.309 3.574 ( 0.807 3.173 2.373) 4.044 3.657 ( -1.650 1.794 -6.750) 7.177 3.781 ( 1.299 -5.666 1.575) 6.023 4.738 ( 2.427 -0.757 0.745) 2.649 4.783 ( 2.125 0.166 -2.757) 3.485 4.822 ( -1.582 -1.744 -0.277) 2.371 4.883 ( -0.424 0.209 -0.100) 0.483 4.895 ( 0.786 -0.840 1.056) 1.561 4.976 ( -2.796 -0.732 0.739) 2.984 5.035 ( 1.804 -0.113 1.979) 2.681 5.066 ( -1.520 2.369 0.798) 2.926 5.107 ( -2.624 -0.807 1.110) 2.961 5.160 ( -2.578 -0.473 1.517) 3.028 5.189 ( -3.776 1.113 -2.624) 4.731 5.236 ( -5.134 -0.682 -2.034) 5.564 5.264 ( -2.653 2.755 0.023) 3.825 5.308 ( -1.966 -1.710 0.762) 2.715 5.398 ( 0.969 0.797 -1.363) 1.853 5.457 ( -0.457 1.645 0.833) 1.899 5.467 ( -1.171 0.561 -0.681) 1.466 5.533 ( 1.089 -1.393 0.667) 1.890 5.569 ( 2.086 -0.478 -1.125) 2.418 5.628 ( -1.031 -0.645 -3.317) 3.532 5.636 ( 0.905 2.824 0.612) 3.028 5.673 ( -2.048 -0.809 0.952) 2.399 5.731 ( 0.131 0.481 -0.921) 1.048 5.852 ( -2.980 5.391 -2.227) 6.550 5.947 ( -0.637 -2.932 4.013) 5.010 5.999 ( 0.979 2.226 -2.365) 3.392 6.065 ( 2.873 -4.780 -2.289) 6.028 6.151 ( 4.474 -2.258 6.295) 8.046 6.517 ( 4.808 1.430 -0.271) 5.023 6.636 ( 6.841 1.449 -2.414) 7.398 6.689 ( 9.093 -4.536 -1.255) 10.238 6.799 ( -12.320 2.622 0.570) 12.609 7.169 ( -11.578 1.198 -0.052) 11.640 7.326 ( -9.973 2.053 2.512) 10.487 7.607 ( 4.132 -1.022 -0.072) 4.257 7.806 ( -1.931 0.076 0.344) 1.963 ======================= Grid point 80 (32/57) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 7.924 -2.754 4.787) 9.659 1.484 ( 13.170 -9.584 -1.250) 16.336 1.555 ( 3.015 6.557 -4.023) 8.262 1.676 ( 8.881 -0.057 -1.728) 9.048 1.695 ( -3.747 -0.759 1.792) 4.223 1.730 ( -0.996 4.108 -3.150) 5.272 1.820 ( -0.047 -2.482 5.578) 6.106 1.896 ( -4.857 1.456 -2.831) 5.807 1.914 ( -6.208 0.083 0.401) 6.222 1.993 ( -8.254 -0.680 1.163) 8.363 2.059 ( -4.170 -2.598 0.331) 4.924 2.069 ( -6.153 3.122 0.085) 6.900 2.138 ( -2.276 -1.134 0.215) 2.552 2.165 ( -0.866 -0.662 4.051) 4.195 2.248 ( -4.195 2.707 1.426) 5.192 2.282 ( 0.562 -0.624 -4.878) 4.949 2.313 ( -1.536 -1.565 -2.109) 3.042 2.372 ( 1.612 1.330 -3.146) 3.777 2.397 ( 1.217 0.066 0.863) 1.493 2.485 ( -4.134 -3.038 4.851) 7.061 2.627 ( 1.541 5.826 -1.069) 6.121 2.811 ( 16.674 -4.751 -10.372) 20.204 2.842 ( 5.755 1.212 -1.820) 6.156 2.932 ( -0.860 -1.800 6.544) 6.841 2.953 ( 3.937 1.130 -0.205) 4.101 3.134 ( -6.294 4.039 3.850) 8.411 3.185 ( -1.913 1.320 6.028) 6.461 3.270 ( 0.604 5.457 2.853) 6.187 3.364 ( 0.320 0.012 -0.394) 0.508 3.425 ( -2.841 -4.928 -4.485) 7.244 3.519 ( -0.430 3.297 -1.463) 3.632 3.599 ( -1.112 3.437 -1.799) 4.036 3.846 ( -1.567 -6.516 0.639) 6.732 4.774 ( -0.011 -1.131 0.369) 1.190 4.808 ( 1.310 -0.696 0.567) 1.588 4.836 ( 1.926 -0.411 -0.923) 2.175 4.880 ( -0.349 -0.644 3.008) 3.096 4.915 ( 1.517 0.415 -1.224) 1.992 4.960 ( -0.054 -0.923 0.241) 0.955 5.029 ( -0.231 1.097 -2.181) 2.452 5.048 ( -1.051 0.999 1.264) 1.924 5.066 ( -2.114 0.333 -0.136) 2.145 5.112 ( -1.517 0.238 -4.109) 4.387 5.160 ( -1.116 -1.616 1.422) 2.424 5.181 ( -3.027 -1.534 2.305) 4.103 5.203 ( -1.891 -1.093 0.718) 2.299 5.315 ( -0.082 -1.368 0.192) 1.384 5.391 ( 0.232 1.705 -1.951) 2.602 5.427 ( -1.232 0.813 -1.516) 2.116 5.474 ( 1.602 0.969 3.207) 3.713 5.554 ( 0.989 0.293 -0.952) 1.403 5.581 ( -1.799 -1.027 -0.655) 2.173 5.611 ( 0.884 1.615 1.447) 2.342 5.638 ( -0.789 0.734 -1.818) 2.114 5.653 ( 0.926 -0.337 0.531) 1.119 5.724 ( -0.486 0.687 -0.638) 1.055 5.749 ( -2.761 1.510 -3.070) 4.396 5.971 ( -0.618 -1.026 2.680) 2.935 5.998 ( 1.580 2.802 1.816) 3.694 6.199 ( 5.667 -10.092 -5.367) 12.758 6.255 ( 3.741 1.923 6.582) 7.811 6.416 ( -13.310 0.703 -0.580) 13.341 6.648 ( 5.452 1.169 -8.479) 10.148 6.733 ( 0.332 3.370 4.595) 5.708 6.908 ( 9.633 -3.089 2.091) 10.330 6.978 ( -9.314 -3.332 -4.745) 10.971 7.162 ( -6.577 5.083 4.068) 9.255 7.672 ( 2.795 -0.037 -0.206) 2.802 7.777 ( -1.553 -0.315 0.999) 1.873 ======================= Grid point 82 (33/57) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -9.494 12.898 -0.715) 16.032 1.507 ( -16.059 5.085 -4.815) 17.519 1.577 ( 7.253 -1.874 -1.001) 7.558 1.644 ( -3.318 6.002 -2.823) 7.416 1.711 ( 1.344 -1.462 3.357) 3.901 1.769 ( 4.403 -3.171 -2.742) 6.079 1.892 ( 1.185 -1.226 1.326) 2.161 1.901 ( 1.281 -4.615 -0.223) 4.795 1.906 ( 2.023 0.378 -1.432) 2.507 1.950 ( 2.897 -2.661 2.275) 4.544 1.990 ( 3.651 -2.186 3.963) 5.815 2.076 ( 1.196 -6.065 0.659) 6.217 2.135 ( -4.248 -3.038 4.701) 7.026 2.183 ( 2.259 -1.744 -1.933) 3.447 2.221 ( 0.148 -4.341 2.562) 5.043 2.292 ( 1.912 -0.679 -3.272) 3.850 2.321 ( -0.182 -0.915 -1.216) 1.532 2.337 ( 0.926 -2.461 -1.122) 2.858 2.468 ( 2.629 2.717 2.785) 4.696 2.486 ( 1.210 0.371 -0.923) 1.566 2.566 ( -3.761 1.859 -2.364) 4.816 2.657 ( -11.542 11.767 7.523) 18.118 2.848 ( -0.905 2.540 -5.759) 6.359 2.997 ( 0.494 1.516 4.477) 4.752 3.069 ( -2.295 3.183 -0.607) 3.971 3.153 ( 1.807 -3.659 4.082) 5.772 3.210 ( 11.476 -0.901 -3.098) 11.921 3.237 ( 0.308 2.488 -6.838) 7.283 3.343 ( 0.693 1.637 6.066) 6.321 3.390 ( -2.088 -4.621 -8.673) 10.046 3.541 ( -0.841 5.400 2.770) 6.127 3.600 ( 6.893 -2.740 1.673) 7.604 3.845 ( -5.274 -5.017 0.221) 7.282 4.771 ( -2.102 -0.345 0.078) 2.132 4.827 ( -0.064 0.531 -1.684) 1.767 4.869 ( 2.897 1.023 0.396) 3.098 4.874 ( -1.133 0.294 0.350) 1.221 4.923 ( 0.843 0.421 0.888) 1.295 4.985 ( 2.557 -0.461 0.011) 2.599 5.016 ( -1.818 -0.751 0.289) 1.988 5.030 ( 0.208 -0.008 -1.065) 1.085 5.074 ( 3.180 -1.128 -0.714) 3.449 5.121 ( 1.614 -1.605 -1.123) 2.538 5.164 ( 1.318 -0.174 0.733) 1.518 5.182 ( 0.710 -3.398 1.526) 3.792 5.214 ( -2.574 -4.055 2.114) 5.248 5.328 ( 0.271 -0.471 1.222) 1.337 5.364 ( -0.069 2.755 -1.597) 3.185 5.402 ( -0.958 -0.954 -2.342) 2.705 5.486 ( 0.060 1.619 2.409) 2.904 5.550 ( -1.490 -0.947 -0.291) 1.789 5.565 ( -0.049 0.597 -0.468) 0.760 5.595 ( -0.198 2.302 -2.336) 3.286 5.634 ( 0.681 -1.305 1.886) 2.392 5.673 ( 0.665 2.045 -0.124) 2.154 5.697 ( -0.727 -2.292 -1.102) 2.645 5.749 ( 2.013 -1.072 -1.522) 2.741 5.969 ( -0.552 -0.533 -1.160) 1.391 5.997 ( -0.316 1.953 4.497) 4.913 6.122 ( -11.652 1.103 1.092) 11.755 6.329 ( 3.496 3.513 2.974) 5.780 6.445 ( 7.674 -9.755 -2.059) 12.582 6.622 ( -3.563 6.160 -2.544) 7.557 6.708 ( -0.441 -0.414 -4.742) 4.781 6.840 ( -7.058 -1.239 -1.779) 7.384 7.083 ( 1.428 1.522 3.476) 4.055 7.150 ( 9.987 -6.386 1.933) 12.011 7.686 ( 0.054 2.780 0.526) 2.829 7.778 ( 0.295 -2.165 0.042) 2.186 ======================= Grid point 83 (34/57) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -9.501 16.101 0.394) 18.699 1.088 ( -21.711 8.819 -6.633) 24.354 1.419 ( -8.783 11.475 -8.401) 16.715 1.662 ( -0.926 0.481 1.632) 1.937 1.730 ( 0.836 4.374 -5.257) 6.890 1.833 ( 6.852 -2.678 -0.548) 7.378 1.914 ( 2.695 0.220 3.920) 4.762 1.975 ( 0.434 -2.788 2.146) 3.544 2.030 ( -1.124 -1.819 8.684) 8.943 2.051 ( 4.229 -4.440 1.552) 6.325 2.111 ( -1.475 1.913 4.316) 4.946 2.143 ( 3.677 -3.175 -0.769) 4.919 2.161 ( 5.222 -7.273 -2.125) 9.203 2.248 ( -5.475 4.281 6.561) 9.558 2.275 ( 4.272 -1.716 1.432) 4.821 2.288 ( -1.069 -6.936 2.045) 7.310 2.350 ( -0.212 -0.671 1.764) 1.899 2.372 ( 5.748 -4.553 -1.069) 7.410 2.419 ( 3.804 -3.211 1.630) 5.238 2.493 ( 3.716 0.822 -0.293) 3.817 2.538 ( 2.173 1.299 -5.602) 6.147 2.617 ( 0.007 -6.087 1.416) 6.249 2.714 ( -6.162 6.602 -11.864) 14.910 2.901 ( -2.396 6.283 -7.963) 10.422 3.016 ( -5.280 -1.012 5.980) 8.041 3.133 ( -2.717 0.532 -2.259) 3.573 3.233 ( 1.447 -3.641 7.346) 8.326 3.324 ( -0.452 2.858 -1.042) 3.075 3.405 ( 3.030 -2.532 -0.592) 3.993 3.457 ( 4.132 2.691 2.028) 5.332 3.514 ( 5.861 1.621 1.053) 6.172 3.717 ( 0.983 -2.151 -1.778) 2.959 3.788 ( -3.730 -4.112 -1.052) 5.650 4.710 ( -3.476 1.656 0.464) 3.878 4.778 ( -1.692 2.736 -1.522) 3.559 4.865 ( -0.052 0.457 0.424) 0.625 4.900 ( -0.407 0.841 -0.843) 1.258 4.955 ( 1.655 -0.586 1.706) 2.448 5.004 ( -0.428 0.390 -1.660) 1.758 5.030 ( 0.095 -0.925 0.558) 1.084 5.049 ( 4.194 -1.956 0.282) 4.637 5.141 ( 1.236 -1.529 0.704) 2.088 5.157 ( 0.895 -3.642 0.322) 3.765 5.200 ( 0.142 -0.794 -0.823) 1.152 5.230 ( 3.525 -1.514 -0.112) 3.838 5.254 ( 0.702 -5.719 2.155) 6.151 5.325 ( 0.801 0.910 0.252) 1.238 5.358 ( 2.221 0.565 -2.083) 3.097 5.418 ( 1.093 -2.887 -0.872) 3.208 5.470 ( -0.973 0.785 1.408) 1.883 5.523 ( -2.254 -0.032 0.404) 2.290 5.563 ( 0.076 -0.739 0.453) 0.870 5.590 ( 1.866 1.460 -0.292) 2.387 5.637 ( -1.030 1.657 0.775) 2.100 5.681 ( 1.425 -1.872 0.258) 2.367 5.731 ( 1.509 -1.192 -1.145) 2.238 5.789 ( 1.158 -2.787 -3.591) 4.691 5.962 ( 0.409 0.573 -2.905) 2.989 5.968 ( -3.079 -1.840 -0.421) 3.612 5.996 ( -2.638 2.550 7.453) 8.307 6.333 ( 1.632 5.911 4.254) 7.463 6.424 ( -7.368 3.089 -2.455) 8.358 6.596 ( -3.403 5.941 -7.280) 9.993 6.721 ( -5.309 6.394 3.157) 8.890 6.766 ( 8.796 -12.947 -1.753) 15.750 7.193 ( 6.088 -6.906 1.477) 9.324 7.371 ( 8.080 -7.759 1.161) 11.262 7.628 ( -2.698 4.219 0.790) 5.070 7.819 ( 1.629 -2.282 -0.728) 2.897 ======================= Grid point 84 (35/57) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -5.085 14.973 6.583) 17.129 0.710 ( -7.636 12.477 8.344) 16.840 1.163 ( -5.612 7.026 -16.018) 18.370 1.543 ( -4.551 7.636 -12.072) 14.992 1.716 ( -14.148 25.316 21.074) 35.850 1.755 ( 1.201 -1.369 5.016) 5.336 1.895 ( -0.128 1.609 0.779) 1.792 1.980 ( 1.151 0.623 1.468) 1.967 1.992 ( -1.833 -0.438 1.548) 2.439 2.145 ( 3.536 -3.457 2.682) 5.625 2.161 ( 2.076 -7.305 -0.127) 7.596 2.225 ( 1.239 -0.262 -1.137) 1.702 2.259 ( 4.218 -6.564 -0.883) 7.852 2.305 ( -0.374 3.870 -10.830) 11.507 2.324 ( -1.080 -4.546 2.400) 5.253 2.341 ( 2.060 -2.042 -1.539) 3.283 2.410 ( -0.254 -0.813 -6.460) 6.516 2.464 ( 4.570 -7.776 2.069) 9.254 2.489 ( 3.474 -2.329 0.548) 4.218 2.581 ( 1.312 -8.702 -3.086) 9.325 2.610 ( 3.127 -2.739 -2.282) 4.742 2.643 ( 5.851 -4.028 0.434) 7.116 2.692 ( 2.585 -5.840 -0.083) 6.387 2.783 ( -3.222 3.298 -3.944) 6.068 2.985 ( 0.313 0.639 -1.267) 1.453 3.074 ( -4.282 -0.256 2.152) 4.800 3.266 ( -0.676 4.251 -0.091) 4.305 3.330 ( 1.609 -3.579 11.235) 11.901 3.429 ( -1.109 3.870 9.744) 10.543 3.473 ( 1.699 -1.239 -4.051) 4.565 3.602 ( 2.484 2.434 0.206) 3.484 3.643 ( -4.695 -0.148 0.446) 4.718 3.838 ( 2.482 -4.150 -7.617) 9.022 4.649 ( -2.636 1.570 1.302) 3.333 4.729 ( -0.503 2.959 0.261) 3.013 4.842 ( -1.051 1.968 -2.265) 3.179 4.876 ( -0.458 0.572 -1.527) 1.694 4.962 ( -1.136 0.811 1.984) 2.426 4.984 ( -0.330 0.804 -0.739) 1.141 5.050 ( 1.094 -1.849 0.729) 2.269 5.129 ( -0.055 -1.350 0.160) 1.361 5.144 ( 0.881 -0.968 1.518) 2.005 5.187 ( -0.527 -2.305 -1.057) 2.589 5.260 ( 2.155 -4.374 -1.547) 5.115 5.278 ( 1.041 -1.776 -0.507) 2.120 5.325 ( 2.165 -1.657 1.073) 2.930 5.364 ( 3.471 -4.726 0.481) 5.884 5.419 ( 3.884 0.334 -1.462) 4.163 5.451 ( -0.729 -1.752 1.197) 2.243 5.464 ( -0.017 -1.482 0.142) 1.489 5.493 ( -0.362 0.752 0.488) 0.967 5.560 ( -1.349 1.243 0.519) 1.907 5.590 ( -0.933 0.197 1.607) 1.868 5.636 ( 1.494 -0.290 -0.014) 1.521 5.705 ( -1.101 -0.505 -1.653) 2.050 5.756 ( 1.090 -1.955 0.343) 2.265 5.823 ( 1.471 -4.315 -3.655) 5.843 5.950 ( -0.166 1.806 3.527) 3.966 5.987 ( 1.869 -2.363 0.033) 3.013 5.995 ( 2.770 0.633 -0.834) 2.962 6.262 ( -7.788 -1.123 -5.765) 9.754 6.314 ( -0.358 6.190 7.435) 9.681 6.463 ( -0.950 8.790 -5.200) 10.258 6.555 ( -6.146 9.354 2.575) 11.484 7.017 ( 6.563 -11.037 0.126) 12.842 7.366 ( 4.569 -8.602 -0.124) 9.741 7.544 ( -2.074 4.127 0.235) 4.625 7.561 ( 4.807 -8.530 1.123) 9.856 7.851 ( 0.591 -0.432 -0.691) 1.007 ======================= Grid point 85 (36/57) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 2.820 9.028 16.147) 18.713 0.774 ( 17.087 8.842 23.537) 30.400 1.059 ( 3.442 -1.736 -18.761) 19.153 1.301 ( -12.555 11.619 -5.158) 17.867 1.343 ( -5.242 18.848 11.637) 22.763 1.801 ( 0.846 -1.135 5.483) 5.663 1.862 ( -1.737 1.424 1.321) 2.606 1.951 ( 0.516 4.400 -11.119) 11.969 1.972 ( -0.882 0.266 0.167) 0.936 2.082 ( 2.504 11.831 -16.371) 20.353 2.206 ( 1.093 -2.711 -0.092) 2.925 2.250 ( -0.722 -1.873 3.424) 3.969 2.334 ( 2.052 -5.808 0.589) 6.188 2.351 ( -2.498 -4.741 2.673) 5.989 2.394 ( 1.334 -5.451 -0.326) 5.621 2.409 ( -0.429 -4.203 -2.022) 4.684 2.435 ( 2.802 -4.149 -0.197) 5.010 2.511 ( -1.887 -4.417 1.259) 4.966 2.582 ( -1.404 -0.941 0.122) 1.694 2.594 ( 0.637 -1.212 -3.531) 3.787 2.654 ( -1.189 0.029 -2.247) 2.542 2.718 ( 1.602 2.669 0.443) 3.144 2.757 ( 1.236 -9.778 0.195) 9.858 2.828 ( -1.012 -6.733 3.237) 7.539 2.959 ( -1.895 0.858 -5.195) 5.596 3.076 ( -0.614 -6.158 3.098) 6.921 3.233 ( 2.915 2.271 -3.102) 4.824 3.366 ( -4.179 3.422 6.502) 8.453 3.401 ( 0.862 3.136 7.271) 7.965 3.500 ( 3.283 2.031 9.024) 9.815 3.594 ( 0.200 -0.506 1.272) 1.383 3.611 ( -0.827 1.176 -0.370) 1.484 3.875 ( -0.235 -4.639 -11.215) 12.139 4.606 ( -0.077 1.755 0.994) 2.019 4.703 ( 0.646 3.563 0.916) 3.735 4.816 ( 0.795 0.524 -3.602) 3.725 4.861 ( 0.338 0.732 -1.878) 2.044 4.953 ( -0.258 -0.033 1.008) 1.041 4.970 ( -0.267 0.849 0.876) 1.248 5.077 ( 0.303 -0.053 0.005) 0.308 5.111 ( -1.205 -0.807 0.429) 1.512 5.186 ( 0.497 -1.409 0.419) 1.552 5.198 ( -0.462 -2.138 0.372) 2.219 5.276 ( -0.760 -2.495 -1.918) 3.238 5.334 ( 0.481 -2.054 0.772) 2.246 5.359 ( 0.058 -1.293 0.682) 1.463 5.414 ( -1.412 0.916 0.778) 1.854 5.453 ( 0.352 -0.226 -0.847) 0.945 5.477 ( 1.906 0.960 -1.529) 2.625 5.482 ( 1.306 -4.427 0.714) 4.670 5.514 ( 1.011 -0.809 1.109) 1.705 5.523 ( 0.146 0.277 0.386) 0.497 5.586 ( -1.913 -0.838 2.412) 3.190 5.630 ( -2.365 -0.686 -2.712) 3.663 5.671 ( 0.159 1.568 -1.517) 2.187 5.797 ( -0.016 -3.023 0.757) 3.117 5.891 ( 0.931 -5.597 -1.230) 5.805 5.959 ( -0.738 -0.818 3.878) 4.032 6.028 ( 0.603 -1.464 -0.346) 1.621 6.034 ( 0.346 -1.181 -0.865) 1.504 6.174 ( -0.301 -2.233 -4.755) 5.262 6.274 ( -1.138 5.649 4.593) 7.369 6.369 ( 0.606 8.359 -2.705) 8.806 6.404 ( 0.291 9.409 1.773) 9.579 7.167 ( 0.328 -7.905 0.950) 7.969 7.470 ( -0.103 -4.216 -0.968) 4.327 7.495 ( 0.055 1.186 -0.081) 1.190 7.687 ( -1.095 -8.316 1.363) 8.498 7.849 ( 0.772 1.704 -0.639) 1.977 ======================= Grid point 88 (37/57) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 13.018 0.000 4.176) 13.671 1.330 ( 13.181 0.000 -0.692) 13.199 1.617 ( 12.973 0.000 0.196) 12.975 1.677 ( 2.237 0.000 -0.163) 2.243 1.720 ( 2.602 0.000 -3.192) 4.118 1.779 ( -2.377 -0.000 7.442) 7.813 1.840 ( -5.872 -0.000 -5.972) 8.375 1.864 ( -9.722 -0.000 2.368) 10.006 1.922 ( -5.083 -0.000 -2.539) 5.682 1.976 ( -10.124 -0.000 1.280) 10.205 2.026 ( -6.323 -0.000 2.261) 6.715 2.054 ( -4.387 -0.000 4.256) 6.112 2.154 ( -2.934 -0.000 -2.823) 4.071 2.168 ( -5.068 -0.000 -0.123) 5.070 2.271 ( 3.012 0.000 -7.584) 8.160 2.292 ( -1.894 -0.000 -1.562) 2.455 2.324 ( -6.607 -0.000 2.771) 7.164 2.353 ( -2.212 -0.000 4.805) 5.290 2.398 ( 8.058 0.000 -0.141) 8.059 2.438 ( -7.112 -0.000 -0.896) 7.169 2.723 ( 14.341 0.000 -3.545) 14.773 2.790 ( -0.778 -0.000 -4.738) 4.802 2.796 ( 10.368 0.000 -7.889) 13.028 2.903 ( 3.099 0.000 5.246) 6.093 2.955 ( 8.328 0.000 0.591) 8.349 3.186 ( 2.111 0.000 6.837) 7.155 3.245 ( -8.928 -0.000 0.500) 8.942 3.296 ( -7.825 -0.000 -2.641) 8.259 3.364 ( 0.469 0.000 6.916) 6.932 3.375 ( 3.110 0.000 3.344) 4.567 3.616 ( -1.137 -0.000 -1.142) 1.612 3.636 ( -0.711 -0.000 -2.484) 2.584 3.715 ( -3.364 -0.000 -2.842) 4.404 4.760 ( 0.215 0.000 -0.022) 0.216 4.800 ( 0.717 0.000 1.009) 1.238 4.831 ( 3.329 0.000 -1.158) 3.525 4.876 ( -0.398 -0.000 4.280) 4.298 4.916 ( 2.424 0.000 -1.128) 2.674 4.950 ( -0.099 -0.000 0.085) 0.130 5.043 ( -0.517 -0.000 -2.316) 2.373 5.053 ( -3.089 -0.000 -0.163) 3.093 5.089 ( -0.433 -0.000 5.849) 5.866 5.114 ( -3.459 -0.000 -1.613) 3.816 5.117 ( -1.834 -0.000 -2.626) 3.203 5.153 ( -3.297 -0.000 -1.619) 3.673 5.222 ( -3.793 -0.000 1.274) 4.001 5.293 ( 0.705 0.000 0.621) 0.940 5.400 ( -0.138 -0.000 -2.604) 2.608 5.454 ( -1.282 -0.000 0.467) 1.365 5.482 ( 1.834 0.000 1.809) 2.576 5.559 ( 1.632 0.000 1.511) 2.224 5.589 ( -1.253 -0.000 -0.993) 1.599 5.592 ( 1.580 0.000 -1.964) 2.520 5.636 ( -0.922 -0.000 0.339) 0.983 5.666 ( -0.513 -0.000 0.106) 0.524 5.738 ( 0.514 0.000 -0.744) 0.904 5.770 ( -6.161 -0.000 -3.134) 6.912 6.004 ( 4.395 0.000 2.766) 5.193 6.026 ( 1.855 0.000 -5.213) 5.533 6.037 ( 0.906 0.000 -3.346) 3.467 6.280 ( 7.211 0.000 10.909) 13.077 6.416 ( -15.875 -0.000 -0.794) 15.895 6.675 ( 3.107 0.000 -3.179) 4.445 6.781 ( 7.739 0.000 -3.399) 8.452 6.837 ( 5.398 0.000 2.402) 5.908 6.961 ( -12.126 -0.000 -4.210) 12.836 7.212 ( -6.262 -0.000 4.471) 7.694 7.672 ( 3.865 0.000 0.534) 3.902 7.774 ( -2.015 -0.000 0.993) 2.246 ======================= Grid point 90 (38/57) ======================= q-point: (-0.62 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 6.953 7.508 -1.466) 10.338 1.562 ( -6.469 2.550 -2.701) 7.460 1.598 ( 7.979 -4.873 -0.434) 9.360 1.644 ( -4.084 2.715 -1.478) 5.122 1.712 ( -0.266 1.046 4.792) 4.912 1.744 ( -0.935 3.144 0.358) 3.299 1.803 ( -3.285 -4.823 -1.052) 5.930 1.840 ( 1.040 -3.507 2.194) 4.265 1.905 ( 4.398 -1.992 -5.174) 7.077 1.936 ( 0.769 1.697 4.135) 4.535 1.992 ( 2.305 -2.824 5.247) 6.390 2.007 ( -3.406 -2.053 1.512) 4.254 2.069 ( -5.256 1.600 3.859) 6.714 2.133 ( 0.035 -2.685 -4.293) 5.063 2.224 ( -2.819 3.156 1.824) 4.608 2.273 ( -0.350 -0.877 -2.262) 2.451 2.296 ( -1.739 -1.788 -2.908) 3.831 2.309 ( -1.367 -1.148 -4.496) 4.837 2.388 ( -1.970 -5.186 8.840) 10.437 2.522 ( 7.518 1.442 -4.230) 8.746 2.663 ( -3.319 7.227 -3.646) 8.749 2.797 ( -4.668 -4.934 -2.690) 7.305 2.886 ( -4.616 6.639 1.059) 8.155 2.995 ( 4.852 0.080 4.541) 6.646 3.112 ( -0.525 1.136 0.799) 1.485 3.168 ( 5.154 1.968 -1.375) 5.685 3.196 ( 12.048 -0.047 -3.819) 12.639 3.240 ( -2.868 -5.674 -1.085) 6.449 3.369 ( -4.612 7.109 -1.714) 8.646 3.424 ( 3.104 3.926 6.594) 8.279 3.555 ( 1.908 -0.502 1.661) 2.579 3.618 ( -0.566 1.384 1.576) 2.172 3.696 ( -5.612 -9.100 -3.314) 11.193 4.754 ( -0.934 -0.823 -0.026) 1.245 4.826 ( 1.416 -0.206 -0.857) 1.668 4.873 ( 1.479 0.365 1.418) 2.081 4.892 ( 0.645 0.284 2.611) 2.704 4.954 ( -0.550 1.995 -1.571) 2.598 4.973 ( 2.453 -0.510 -0.033) 2.506 4.986 ( -1.534 -1.596 0.213) 2.224 5.027 ( -0.332 -0.135 -2.515) 2.540 5.066 ( 0.514 0.416 -0.857) 1.082 5.101 ( 0.081 -1.015 -0.562) 1.163 5.123 ( -1.129 -2.027 2.592) 3.479 5.126 ( -1.057 -3.105 2.143) 3.918 5.184 ( 0.477 0.951 -0.162) 1.076 5.316 ( 1.177 -0.592 1.410) 1.930 5.389 ( -0.425 0.050 -1.676) 1.730 5.424 ( -1.083 1.988 0.266) 2.280 5.507 ( -0.000 -0.285 1.014) 1.053 5.559 ( 0.487 1.162 -0.164) 1.270 5.586 ( 0.821 2.085 -1.019) 2.462 5.622 ( -0.249 0.226 2.942) 2.961 5.630 ( -0.683 0.359 -1.057) 1.308 5.649 ( -0.304 -1.322 0.324) 1.395 5.688 ( -1.857 -1.089 -2.473) 3.278 5.735 ( -0.276 0.163 -1.380) 1.417 5.994 ( 1.593 4.180 -3.030) 5.403 6.031 ( -2.003 0.875 -0.530) 2.249 6.114 ( -4.621 -4.770 -3.744) 7.624 6.227 ( 1.098 -5.669 1.561) 5.982 6.415 ( 5.764 2.269 8.633) 10.626 6.690 ( -10.854 1.270 1.117) 10.985 6.738 ( 2.676 -0.222 -6.502) 7.035 6.837 ( 0.428 4.874 -3.624) 6.089 6.987 ( 5.549 -8.071 -4.007) 10.583 7.153 ( -1.466 2.086 6.968) 7.420 7.723 ( 2.250 0.746 0.691) 2.469 7.751 ( -1.381 -0.410 1.228) 1.892 ======================= Grid point 91 (39/57) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -12.328 11.682 -4.257) 17.509 1.316 ( -4.600 18.400 -8.444) 20.761 1.624 ( -3.179 6.757 0.121) 7.468 1.665 ( 0.721 3.151 1.630) 3.620 1.765 ( 3.525 -4.037 -2.947) 6.116 1.788 ( 2.567 -1.201 0.898) 2.973 1.829 ( -0.398 -7.362 -0.413) 7.384 1.940 ( 6.302 -6.644 -0.053) 9.157 1.952 ( 2.771 1.267 -1.089) 3.235 1.988 ( 3.221 -4.366 5.773) 7.923 2.014 ( 0.951 -2.307 4.461) 5.112 2.040 ( -0.151 -6.445 3.827) 7.497 2.073 ( 1.689 -1.775 1.489) 2.867 2.170 ( -1.722 -1.871 0.649) 2.625 2.237 ( 5.758 -4.216 -0.286) 7.142 2.276 ( -0.393 -2.895 -0.503) 2.964 2.301 ( 2.069 -3.036 -2.443) 4.412 2.339 ( 0.317 -3.728 1.354) 3.979 2.451 ( 0.934 -4.805 4.641) 6.745 2.521 ( -4.903 8.222 -0.429) 9.583 2.587 ( 3.129 3.077 -3.457) 5.587 2.637 ( -6.569 9.828 5.606) 13.083 2.784 ( -4.063 -0.518 -6.600) 7.767 3.014 ( -4.739 3.421 3.692) 6.913 3.069 ( -1.464 9.138 -4.466) 10.275 3.142 ( -0.654 -1.073 -3.179) 3.418 3.191 ( -0.584 0.487 -0.533) 0.928 3.275 ( -0.969 -6.946 -1.897) 7.265 3.407 ( 0.038 3.270 4.899) 5.890 3.498 ( 14.483 1.470 -4.007) 15.099 3.575 ( -1.769 1.526 3.253) 4.005 3.658 ( -4.752 -4.371 -0.118) 6.458 3.669 ( 1.885 -6.008 0.523) 6.318 4.734 ( -2.321 0.513 0.122) 2.380 4.825 ( -0.375 1.745 -2.983) 3.477 4.872 ( -0.179 0.476 0.782) 0.933 4.885 ( -0.949 -1.080 2.638) 3.004 4.950 ( -0.275 -0.613 0.779) 1.029 4.990 ( -0.968 -2.113 0.227) 2.335 5.012 ( 0.376 0.353 -1.200) 1.306 5.022 ( 2.509 -0.996 0.224) 2.708 5.088 ( 0.313 -2.339 -0.226) 2.371 5.123 ( 1.051 -1.747 -0.970) 2.258 5.150 ( -1.052 -3.824 1.750) 4.335 5.165 ( 1.231 -3.104 0.841) 3.444 5.224 ( 4.682 1.020 -0.279) 4.800 5.340 ( 1.389 0.483 1.468) 2.078 5.377 ( -0.518 -0.083 -2.158) 2.221 5.403 ( 1.248 1.813 2.195) 3.109 5.497 ( -1.919 0.984 1.819) 2.821 5.534 ( 0.061 2.285 -1.347) 2.653 5.562 ( -0.694 0.753 -0.433) 1.112 5.616 ( 0.082 0.720 0.451) 0.853 5.633 ( 0.189 -0.997 1.237) 1.600 5.664 ( -0.431 -0.801 -1.319) 1.602 5.688 ( 0.693 -2.536 -0.222) 2.638 5.742 ( 0.232 -2.010 -1.667) 2.621 5.943 ( -3.812 -0.687 -2.166) 4.438 5.989 ( 2.761 3.325 -3.773) 5.737 6.069 ( -0.084 3.592 3.867) 5.278 6.416 ( -3.332 -4.410 -7.406) 9.241 6.446 ( 5.376 1.499 2.820) 6.253 6.531 ( -1.483 -5.025 2.939) 6.008 6.743 ( -3.518 5.483 -0.454) 6.531 6.793 ( 3.083 3.560 -1.244) 4.871 7.093 ( 1.387 -4.090 -0.834) 4.399 7.215 ( 4.428 -7.527 2.659) 9.129 7.702 ( -2.122 3.114 1.130) 3.934 7.773 ( 1.445 -2.221 0.303) 2.667 ======================= Grid point 92 (40/57) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -3.617 14.439 1.916) 15.008 1.078 ( 2.865 24.501 -4.428) 25.062 1.380 ( -7.827 14.348 -7.454) 17.964 1.666 ( -3.280 5.111 -4.996) 7.864 1.746 ( -0.751 0.534 1.179) 1.497 1.845 ( -0.103 -7.309 -3.038) 7.915 1.939 ( 3.353 -3.877 2.510) 5.707 1.980 ( 0.861 0.503 2.295) 2.503 2.029 ( -0.280 -1.031 8.929) 8.993 2.072 ( 1.524 -4.460 1.855) 5.065 2.114 ( 2.241 -5.516 1.437) 6.125 2.171 ( 2.916 -7.916 0.872) 8.481 2.189 ( -1.632 6.887 7.625) 10.404 2.190 ( 0.765 -4.420 0.980) 4.592 2.255 ( 1.440 -3.612 3.022) 4.924 2.300 ( 1.301 -1.378 0.106) 1.898 2.339 ( -0.586 -0.698 3.011) 3.146 2.393 ( 1.390 -4.157 -0.725) 4.442 2.429 ( 2.080 -4.751 -1.039) 5.289 2.499 ( -2.872 -4.338 -2.372) 5.718 2.577 ( 6.123 -1.670 1.757) 6.586 2.617 ( 0.653 2.705 -4.521) 5.309 2.649 ( -4.285 5.059 -12.409) 14.069 2.831 ( -4.105 3.751 -3.902) 6.793 3.044 ( 1.785 4.826 0.284) 5.153 3.090 ( -2.597 1.524 -2.940) 4.209 3.268 ( 3.629 -3.481 5.785) 7.665 3.328 ( 0.264 -1.903 1.785) 2.622 3.372 ( -1.831 -2.968 0.952) 3.615 3.499 ( -6.117 -0.183 4.266) 7.460 3.610 ( -3.014 -0.820 4.724) 5.663 3.659 ( 5.301 1.171 -4.136) 6.825 3.762 ( 3.814 -2.785 -4.806) 6.738 4.685 ( -1.868 1.974 1.837) 3.281 4.791 ( 0.370 3.098 -2.126) 3.775 4.869 ( -1.395 1.000 1.647) 2.379 4.876 ( -0.798 -0.580 -1.020) 1.419 4.968 ( 0.836 -2.779 1.188) 3.136 4.976 ( -1.631 -0.718 0.215) 1.795 5.007 ( -0.614 -0.281 0.126) 0.687 5.100 ( 2.228 -2.923 2.509) 4.450 5.113 ( -2.527 -3.848 1.097) 4.732 5.136 ( -0.952 -2.274 -2.515) 3.521 5.171 ( 2.130 -3.167 -1.485) 4.096 5.223 ( 1.810 -4.074 -1.524) 4.712 5.270 ( 1.492 0.601 -0.662) 1.740 5.357 ( 1.351 0.642 1.567) 2.167 5.412 ( -0.219 -0.610 2.438) 2.523 5.424 ( 4.914 -0.596 -1.679) 5.227 5.455 ( -2.239 -0.066 2.171) 3.120 5.529 ( 2.234 2.482 -0.835) 3.442 5.557 ( -0.495 -0.217 1.813) 1.892 5.605 ( -2.074 0.213 0.825) 2.242 5.638 ( -0.061 0.080 -0.179) 0.205 5.662 ( 0.021 -2.505 -0.436) 2.543 5.743 ( -1.018 -1.370 -2.038) 2.658 5.754 ( 3.073 -2.181 -1.127) 3.933 5.924 ( 0.194 -1.776 -2.066) 2.732 6.008 ( 3.555 2.729 -2.205) 4.995 6.051 ( 1.778 4.493 2.101) 5.269 6.246 ( -9.399 -0.076 -7.727) 12.168 6.449 ( 0.676 7.598 7.016) 10.364 6.634 ( -1.213 7.891 -1.826) 8.190 6.726 ( -2.358 7.153 0.905) 7.586 6.763 ( 6.505 -13.246 -0.626) 14.771 7.190 ( 2.454 -9.107 0.943) 9.479 7.376 ( 2.927 -10.711 1.091) 11.157 7.629 ( -2.135 4.384 0.460) 4.898 7.819 ( 0.960 -2.668 -0.120) 2.838 ======================= Grid point 93 (41/57) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 8.014 19.658 0.295) 21.231 1.000 ( 14.842 16.188 13.656) 25.861 1.131 ( -1.958 10.669 -14.169) 17.845 1.424 ( -12.196 6.720 -16.972) 21.953 1.781 ( 0.946 0.323 6.249) 6.329 1.824 ( -6.367 19.678 16.516) 26.468 1.868 ( -3.069 0.859 0.791) 3.283 1.979 ( 0.019 0.380 0.975) 1.047 2.009 ( -1.382 2.446 4.574) 5.368 2.125 ( 2.609 -6.537 2.495) 7.467 2.160 ( -0.177 -3.438 3.330) 4.789 2.200 ( -2.292 -7.471 2.344) 8.159 2.244 ( 0.142 -7.608 -2.054) 7.882 2.267 ( 3.063 0.702 -0.712) 3.223 2.345 ( 1.014 -2.853 -2.883) 4.181 2.362 ( 2.114 -2.466 -0.465) 3.282 2.417 ( 0.806 3.071 -8.592) 9.160 2.431 ( 3.125 -2.822 -0.591) 4.252 2.457 ( -1.978 -7.467 -4.409) 8.894 2.523 ( 2.048 -5.235 -2.035) 5.978 2.532 ( -1.390 -7.006 -3.513) 7.960 2.603 ( -5.354 -5.888 -1.697) 8.137 2.711 ( 1.738 -2.966 -0.139) 3.441 2.798 ( 3.342 2.132 3.840) 5.519 2.988 ( -3.521 2.688 -6.947) 8.239 3.048 ( -0.023 2.352 2.553) 3.471 3.297 ( 2.591 3.470 -2.963) 5.247 3.374 ( -2.570 -2.803 9.178) 9.934 3.424 ( 1.601 0.061 7.558) 7.726 3.469 ( 3.059 -5.801 -0.388) 6.570 3.593 ( -1.846 0.405 7.065) 7.314 3.663 ( -0.849 2.204 -4.685) 5.247 3.797 ( 0.038 -2.101 -7.772) 8.051 4.652 ( -0.032 2.850 1.909) 3.431 4.771 ( 1.570 3.480 -0.740) 3.889 4.836 ( -0.243 1.136 -1.781) 2.126 4.872 ( 0.185 0.336 -2.113) 2.148 4.955 ( -1.007 0.289 2.008) 2.265 4.983 ( -0.404 -0.043 1.132) 1.203 5.041 ( 0.625 -3.569 1.458) 3.906 5.089 ( -1.125 -1.647 0.144) 2.000 5.143 ( -0.617 -3.386 -0.511) 3.479 5.177 ( 1.561 -0.992 -0.174) 1.858 5.217 ( -0.993 -3.278 -0.341) 3.442 5.258 ( 0.279 -3.851 -1.879) 4.294 5.324 ( 1.049 -7.073 -0.480) 7.166 5.375 ( -0.419 1.262 1.214) 1.800 5.406 ( -1.215 -2.136 1.659) 2.965 5.431 ( -0.815 -0.484 1.261) 1.578 5.511 ( 4.174 0.897 -1.332) 4.472 5.532 ( -1.558 1.087 0.641) 2.005 5.554 ( 1.216 2.771 0.298) 3.041 5.572 ( -0.830 -0.959 1.768) 2.176 5.622 ( -1.565 -0.211 -1.578) 2.233 5.689 ( 1.136 0.143 -0.826) 1.411 5.735 ( -0.936 -2.926 -0.047) 3.072 5.816 ( 2.259 -2.569 -3.079) 4.602 5.954 ( -0.174 -1.751 4.059) 4.424 6.006 ( -1.728 -0.463 -0.368) 1.827 6.024 ( -4.313 1.798 -0.888) 4.757 6.154 ( 4.514 0.709 -8.476) 9.629 6.398 ( -1.378 7.372 5.739) 9.444 6.541 ( 0.278 8.846 -0.734) 8.881 6.599 ( -0.044 10.778 1.103) 10.834 6.960 ( 0.810 -13.291 -0.862) 13.343 7.312 ( -0.049 -10.367 0.141) 10.368 7.499 ( -1.384 -10.714 2.267) 11.039 7.570 ( 0.271 4.422 -0.067) 4.431 7.851 ( 0.731 -1.526 -0.716) 1.837 ======================= Grid point 94 (42/57) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 11.866 15.824 -0.133) 19.779 1.038 ( 4.395 4.974 -11.306) 13.111 1.132 ( -3.828 6.126 -20.049) 21.311 1.204 ( 9.751 8.834 9.083) 15.988 1.659 ( 11.403 19.449 25.131) 33.762 1.819 ( -0.481 -1.700 1.165) 2.116 1.842 ( -1.316 0.644 3.090) 3.419 1.976 ( 0.910 -0.066 1.427) 1.694 1.996 ( 0.631 2.283 0.559) 2.433 2.149 ( -2.499 -1.889 -2.556) 4.043 2.184 ( -2.673 -4.856 2.467) 6.067 2.236 ( -3.940 -7.248 0.078) 8.250 2.264 ( 3.633 7.514 -3.834) 9.184 2.289 ( -0.491 -2.526 -3.924) 4.692 2.307 ( -4.324 -1.082 -3.133) 5.448 2.380 ( -2.970 -2.825 -1.805) 4.479 2.437 ( 2.745 2.386 -3.958) 5.375 2.468 ( -1.000 -6.355 0.207) 6.436 2.488 ( -0.852 -5.721 -2.617) 6.349 2.554 ( -4.082 -1.556 5.352) 6.909 2.582 ( -4.690 -11.815 -3.721) 13.245 2.633 ( 1.070 -7.793 -0.472) 7.880 2.686 ( -3.859 -2.581 -3.072) 5.567 2.817 ( -5.244 5.853 3.253) 8.505 2.917 ( 2.742 -2.331 -4.432) 5.708 3.044 ( 0.444 0.443 5.488) 5.524 3.341 ( 3.327 3.584 0.607) 4.928 3.351 ( 0.992 -0.249 -0.852) 1.331 3.459 ( -1.035 3.400 5.006) 6.139 3.560 ( -4.194 -1.560 4.614) 6.427 3.600 ( -1.274 1.037 1.210) 2.041 3.613 ( 6.747 -1.988 2.063) 7.330 3.771 ( -2.972 -3.448 -9.799) 10.805 4.653 ( 2.615 1.892 1.109) 3.413 4.769 ( 2.199 3.209 -1.235) 4.081 4.824 ( 0.857 1.368 -2.814) 3.245 4.877 ( 1.443 0.040 -1.017) 1.766 4.949 ( -0.546 -0.448 1.454) 1.617 4.990 ( 1.127 1.748 0.821) 2.236 5.053 ( -1.823 -1.381 0.357) 2.315 5.104 ( -0.427 -0.646 1.562) 1.744 5.155 ( -0.491 -2.048 -1.393) 2.525 5.186 ( -1.034 -0.280 2.698) 2.902 5.227 ( -1.050 -3.840 -1.909) 4.415 5.287 ( -2.095 -4.482 -0.549) 4.978 5.339 ( -1.711 0.963 1.089) 2.246 5.360 ( -3.345 -4.240 -0.128) 5.402 5.421 ( -1.432 -4.201 -1.501) 4.685 5.462 ( 1.038 -3.021 0.135) 3.197 5.481 ( -1.243 1.743 -0.212) 2.151 5.513 ( -0.262 0.109 -0.629) 0.690 5.565 ( 1.207 2.158 -0.161) 2.478 5.573 ( -0.984 0.929 2.012) 2.425 5.621 ( 2.166 0.231 1.415) 2.597 5.701 ( 1.686 0.857 -1.185) 2.232 5.751 ( -1.939 -3.264 0.828) 3.886 5.864 ( -3.776 -2.597 -6.566) 8.007 5.877 ( -1.151 -2.704 3.604) 4.651 5.989 ( -1.194 -1.682 -0.079) 2.064 6.037 ( 2.585 -0.694 1.340) 2.993 6.233 ( 4.560 -0.051 1.318) 4.747 6.292 ( -2.938 6.313 1.211) 7.068 6.486 ( 4.287 8.997 -4.298) 10.854 6.562 ( 5.899 8.804 2.093) 10.802 7.031 ( -5.690 -10.800 -0.693) 12.227 7.362 ( -4.896 -8.147 0.018) 9.505 7.532 ( -4.860 -6.366 2.107) 8.282 7.553 ( 0.666 2.087 0.311) 2.212 7.861 ( -0.425 -0.038 -1.110) 1.189 ======================= Grid point 99 (43/57) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -11.196 -0.000 -7.781) 13.634 1.577 ( 0.179 0.000 -2.781) 2.787 1.659 ( 3.671 0.000 -1.253) 3.879 1.668 ( 3.375 0.000 -1.456) 3.676 1.720 ( 1.064 0.000 3.502) 3.660 1.772 ( -2.088 -0.000 3.707) 4.255 1.788 ( 2.762 0.000 -0.107) 2.764 1.795 ( 1.759 0.000 -3.758) 4.150 1.939 ( 0.567 0.000 8.352) 8.371 1.954 ( 3.126 0.000 -4.476) 5.459 1.966 ( 1.544 0.000 1.065) 1.875 2.040 ( -1.460 -0.000 8.365) 8.491 2.120 ( 2.727 0.000 -6.124) 6.704 2.123 ( 6.184 0.000 6.226) 8.775 2.181 ( -5.267 -0.000 0.724) 5.317 2.253 ( -0.696 -0.000 -2.941) 3.022 2.255 ( -0.393 -0.000 2.142) 2.178 2.269 ( 0.938 0.000 -1.460) 1.736 2.409 ( 2.901 0.000 5.847) 6.527 2.594 ( 0.050 0.000 -9.604) 9.604 2.664 ( -5.270 -0.000 -4.167) 6.718 2.665 ( 0.716 0.000 1.789) 1.927 2.880 ( -2.831 -0.000 1.984) 3.457 2.969 ( -5.582 -0.000 5.208) 7.634 3.131 ( 3.462 0.000 1.849) 3.925 3.173 ( -2.308 -0.000 2.003) 3.056 3.179 ( -0.607 -0.000 -2.325) 2.403 3.317 ( -7.424 -0.000 -2.614) 7.871 3.385 ( -6.341 -0.000 -5.703) 8.528 3.502 ( 11.004 0.000 -5.116) 12.135 3.550 ( -0.799 -0.000 1.021) 1.297 3.586 ( 5.392 0.000 1.717) 5.658 3.657 ( 0.267 0.000 5.601) 5.607 4.734 ( -1.163 -0.000 -0.014) 1.163 4.838 ( 0.293 0.000 -3.021) 3.035 4.873 ( -1.636 -0.000 -0.771) 1.808 4.900 ( -3.005 -0.000 3.015) 4.257 4.908 ( 0.110 0.000 4.934) 4.935 4.994 ( 0.151 0.000 0.723) 0.738 5.002 ( 0.501 0.000 -5.017) 5.042 5.022 ( 0.687 0.000 1.720) 1.852 5.068 ( -1.196 -0.000 0.576) 1.328 5.094 ( -0.342 -0.000 -1.720) 1.754 5.112 ( 2.657 0.000 0.138) 2.660 5.134 ( 1.854 0.000 2.112) 2.810 5.239 ( 4.841 0.000 -1.716) 5.136 5.343 ( 2.087 0.000 0.665) 2.191 5.373 ( -1.210 -0.000 -0.225) 1.230 5.428 ( -0.458 -0.000 4.510) 4.533 5.497 ( -0.876 -0.000 1.282) 1.553 5.579 ( -1.584 -0.000 0.238) 1.602 5.588 ( -0.008 -0.000 -0.795) 0.795 5.615 ( 0.453 0.000 0.203) 0.496 5.615 ( -1.410 -0.000 -1.001) 1.729 5.654 ( -1.712 -0.000 1.099) 2.034 5.656 ( -0.069 -0.000 -2.165) 2.166 5.720 ( 1.509 0.000 -0.621) 1.632 5.938 ( -3.325 -0.000 -2.538) 4.183 6.060 ( 1.347 0.000 -1.440) 1.971 6.108 ( 5.917 0.000 -5.853) 8.323 6.262 ( 6.311 0.000 -0.396) 6.323 6.475 ( -11.637 -0.000 -5.148) 12.725 6.544 ( 4.398 0.000 7.740) 8.902 6.737 ( -2.801 -0.000 7.576) 8.077 6.955 ( 4.487 0.000 -9.846) 10.820 6.960 ( 4.340 0.000 -3.561) 5.614 7.154 ( -2.441 -0.000 6.810) 7.234 7.736 ( -0.910 -0.000 1.285) 1.574 7.747 ( 0.082 0.000 0.642) 0.647 ======================= Grid point 101 (44/57) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -0.602 10.717 -0.849) 10.767 1.506 ( 2.884 19.239 -4.633) 19.998 1.604 ( -4.750 -0.208 -3.461) 5.881 1.657 ( -2.450 0.285 -1.697) 2.994 1.739 ( -0.979 1.616 -0.992) 2.134 1.776 ( 0.384 -2.479 0.423) 2.544 1.875 ( 3.974 -2.202 2.095) 5.003 1.901 ( 3.137 -8.813 1.323) 9.448 1.971 ( 0.168 -2.258 -4.079) 4.665 2.018 ( 1.928 -0.934 9.263) 9.507 2.026 ( 1.696 -1.851 4.206) 4.898 2.092 ( 5.023 -2.128 6.702) 8.641 2.099 ( -2.308 -0.838 3.714) 4.453 2.139 ( 2.837 -0.066 -1.195) 3.079 2.231 ( -0.413 -1.947 -3.380) 3.922 2.265 ( 0.492 -3.454 -0.026) 3.489 2.271 ( 0.900 -7.279 -0.047) 7.335 2.319 ( 3.460 -2.794 -2.031) 4.889 2.451 ( -2.485 1.330 -2.414) 3.711 2.547 ( 1.586 0.753 0.523) 1.832 2.572 ( -4.690 0.058 -1.438) 4.905 2.661 ( -1.138 10.502 2.995) 10.980 2.770 ( 0.017 6.251 0.041) 6.251 2.980 ( -2.900 1.568 -1.563) 3.648 3.043 ( -4.220 -0.062 -4.898) 6.466 3.141 ( -1.774 0.328 -3.458) 3.901 3.194 ( 0.547 2.569 -0.430) 2.661 3.233 ( 1.019 -5.276 3.588) 6.461 3.319 ( -4.529 -7.428 -2.684) 9.105 3.494 ( -3.148 3.429 2.195) 5.147 3.582 ( -1.244 -4.520 1.710) 4.991 3.658 ( -0.899 0.949 6.146) 6.283 3.761 ( 10.250 0.960 -5.272) 11.566 4.712 ( -1.205 0.698 1.887) 2.345 4.825 ( 0.027 0.305 -2.356) 2.376 4.861 ( -0.627 -0.389 -0.877) 1.146 4.880 ( -0.523 -0.080 3.343) 3.384 4.908 ( -2.681 -1.927 4.654) 5.706 4.976 ( 0.020 0.707 -1.527) 1.683 5.001 ( -1.217 -1.244 -0.102) 1.743 5.031 ( -0.202 -0.983 2.747) 2.925 5.078 ( -0.058 -0.684 -0.970) 1.189 5.110 ( 1.733 -1.317 -3.264) 3.924 5.126 ( 0.279 -1.407 -2.858) 3.198 5.175 ( 1.956 -1.108 0.351) 2.276 5.294 ( 1.890 1.091 -2.898) 3.628 5.357 ( 0.044 -0.235 1.832) 1.848 5.406 ( 4.990 -0.773 -0.058) 5.049 5.423 ( -1.958 0.752 5.998) 6.355 5.459 ( -4.007 0.220 2.785) 4.884 5.555 ( 0.118 0.862 -0.591) 1.051 5.579 ( 1.194 0.267 -0.917) 1.528 5.595 ( -1.224 0.465 0.039) 1.310 5.627 ( 0.313 -1.380 1.338) 1.947 5.641 ( -0.425 0.316 -1.179) 1.292 5.689 ( 2.602 -2.305 -0.778) 3.562 5.751 ( 1.535 0.108 -1.552) 2.185 5.909 ( -0.025 -0.130 -3.922) 3.924 6.062 ( 0.273 1.871 -0.787) 2.048 6.156 ( 5.569 6.727 -3.614) 9.452 6.255 ( -7.830 0.385 -8.018) 11.214 6.480 ( 6.741 -12.110 -0.326) 13.863 6.583 ( 1.479 5.701 5.821) 8.281 6.709 ( -2.972 -0.177 5.826) 6.543 6.918 ( 2.512 10.297 -2.386) 10.864 7.057 ( -0.174 -4.601 -1.036) 4.720 7.172 ( -0.114 -9.776 2.338) 10.052 7.702 ( -1.350 3.285 0.523) 3.590 7.762 ( 0.056 -3.010 0.154) 3.015 ======================= Grid point 102 (45/57) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 8.139 13.594 4.484) 16.466 1.361 ( 2.080 17.500 0.010) 17.623 1.422 ( 0.874 17.551 -4.490) 18.137 1.562 ( -10.896 7.472 -11.435) 17.473 1.713 ( -0.387 -9.043 0.361) 9.059 1.801 ( -0.016 -0.630 1.830) 1.935 1.956 ( 1.261 -4.339 2.522) 5.175 1.970 ( -2.074 -1.706 1.714) 3.186 2.024 ( -1.733 -2.891 4.224) 5.404 2.044 ( 0.662 -6.546 2.215) 6.943 2.092 ( 2.370 -5.344 0.939) 5.921 2.117 ( -0.692 -0.953 5.067) 5.202 2.177 ( -1.353 -7.643 0.872) 7.811 2.248 ( 3.069 -1.947 1.398) 3.894 2.260 ( 2.000 -4.108 3.838) 5.967 2.293 ( 0.276 -0.523 3.231) 3.285 2.345 ( -0.394 -3.066 -1.684) 3.520 2.383 ( -1.314 -2.229 -3.191) 4.108 2.403 ( -2.680 6.217 1.298) 6.893 2.413 ( 0.085 -2.204 -1.146) 2.486 2.509 ( -4.063 0.807 -1.598) 4.440 2.652 ( 2.098 0.488 -0.396) 2.190 2.734 ( 5.629 9.685 -10.851) 15.595 2.859 ( 1.130 5.768 -1.728) 6.127 3.027 ( -3.672 0.339 -3.202) 4.884 3.133 ( 1.022 5.084 0.495) 5.209 3.228 ( 0.122 -11.833 -0.007) 11.834 3.278 ( -0.916 -8.346 0.134) 8.397 3.391 ( 5.959 1.306 2.091) 6.449 3.425 ( -1.854 -0.118 3.663) 4.108 3.599 ( -1.797 -3.013 2.665) 4.406 3.630 ( -3.920 -0.623 3.236) 5.121 3.830 ( 2.374 3.159 -5.452) 6.734 4.702 ( 0.637 2.167 3.132) 3.862 4.815 ( 0.215 0.753 -2.539) 2.657 4.849 ( -0.702 0.198 0.811) 1.091 4.878 ( 0.225 -0.101 0.607) 0.656 4.933 ( 0.332 -4.187 0.612) 4.244 4.961 ( -2.366 0.241 1.653) 2.896 4.999 ( 0.878 -0.703 0.275) 1.158 5.049 ( -0.437 -1.820 2.720) 3.302 5.084 ( -0.278 -2.000 -0.109) 2.022 5.112 ( 0.756 -2.268 -2.307) 3.322 5.174 ( 1.316 -3.100 -3.879) 5.137 5.216 ( 1.074 -1.432 -1.741) 2.497 5.270 ( -1.788 0.083 -0.397) 1.833 5.380 ( -1.431 -0.170 2.646) 3.013 5.396 ( 0.886 0.664 1.307) 1.713 5.419 ( -2.373 -0.616 3.274) 4.090 5.503 ( 4.499 -1.403 0.953) 4.808 5.550 ( -2.363 0.759 0.663) 2.569 5.556 ( -0.242 -0.459 -0.276) 0.588 5.609 ( 2.917 2.006 0.231) 3.547 5.620 ( -1.693 0.295 -1.615) 2.359 5.663 ( 1.239 -1.940 1.408) 2.698 5.718 ( -0.677 0.571 -2.062) 2.244 5.777 ( 2.768 -1.585 -2.331) 3.951 5.905 ( -1.259 -2.108 -2.809) 3.731 6.009 ( -3.337 0.549 -1.662) 3.768 6.109 ( -3.931 6.013 -0.364) 7.193 6.192 ( 5.423 2.915 -6.844) 9.206 6.545 ( -0.379 7.862 5.055) 9.355 6.667 ( 0.219 -3.455 1.608) 3.817 6.685 ( 0.834 -4.748 -0.811) 4.889 6.820 ( 0.131 9.692 -0.142) 9.694 7.111 ( -1.684 -9.934 1.860) 10.246 7.285 ( -0.632 -11.464 1.522) 11.582 7.655 ( 0.387 4.293 -0.082) 4.312 7.801 ( 0.770 -3.435 -0.586) 3.569 ======================= Grid point 103 (46/57) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 1.171 11.199 -10.651) 15.500 1.204 ( -3.973 11.298 -10.152) 15.700 1.355 ( 6.105 15.109 -5.256) 17.123 1.413 ( 10.441 12.466 10.813) 19.528 1.780 ( -1.381 -4.160 2.401) 4.998 1.793 ( -1.844 -4.726 -0.764) 5.130 1.936 ( -2.673 -0.773 1.297) 3.070 1.979 ( -2.994 0.187 3.167) 4.363 2.046 ( 2.124 5.457 7.482) 9.501 2.069 ( -2.990 -8.493 1.719) 9.166 2.114 ( -2.229 -3.076 1.968) 4.278 2.174 ( -0.152 -1.661 -0.228) 1.684 2.222 ( 2.163 8.038 9.468) 12.607 2.267 ( -1.953 -8.865 2.815) 9.504 2.286 ( -1.737 -3.546 1.864) 4.366 2.304 ( -3.619 -4.303 -3.238) 6.489 2.330 ( 0.885 -4.165 -0.272) 4.267 2.358 ( -3.634 -3.352 -5.154) 7.142 2.390 ( -1.369 -3.923 0.266) 4.163 2.480 ( 1.528 -5.448 -2.652) 6.249 2.513 ( 0.762 -1.544 4.594) 4.906 2.645 ( 0.726 1.241 -3.887) 4.144 2.698 ( 5.849 11.523 -12.348) 17.873 2.877 ( -0.801 -0.662 -8.302) 8.367 2.930 ( -0.552 4.553 6.233) 7.738 3.089 ( 0.049 3.985 2.124) 4.516 3.300 ( 0.394 -5.070 -0.528) 5.113 3.391 ( 1.911 0.704 -1.051) 2.291 3.463 ( 5.434 -10.562 0.608) 11.894 3.496 ( 1.777 0.246 3.093) 3.575 3.552 ( -5.375 -0.081 4.197) 6.820 3.612 ( -0.397 -2.505 0.648) 2.618 3.766 ( -3.475 3.359 -4.660) 6.714 4.703 ( 1.748 2.981 1.492) 3.764 4.802 ( -0.196 0.367 -3.598) 3.622 4.860 ( 1.811 0.253 1.427) 2.320 4.882 ( 0.766 1.375 -1.389) 2.100 4.936 ( -1.014 -0.312 2.179) 2.423 4.975 ( 0.882 -2.931 1.165) 3.275 5.029 ( 0.542 -0.988 0.134) 1.135 5.068 ( -0.410 -2.934 2.166) 3.670 5.115 ( 0.848 -2.155 -0.299) 2.335 5.141 ( -1.307 -3.632 -0.437) 3.885 5.204 ( -1.436 0.296 -0.625) 1.594 5.219 ( 1.501 -3.570 -3.093) 4.956 5.254 ( -2.637 -3.326 0.212) 4.250 5.345 ( -2.888 -0.364 2.609) 3.909 5.398 ( -1.258 0.211 -0.151) 1.285 5.421 ( 0.427 -0.504 0.673) 0.943 5.503 ( -1.099 0.771 1.401) 1.941 5.540 ( -1.639 1.613 -0.963) 2.493 5.572 ( 0.081 0.340 -1.076) 1.132 5.601 ( 2.295 -0.199 0.944) 2.489 5.627 ( 1.139 1.018 1.015) 1.834 5.684 ( -1.570 -2.410 -0.395) 2.903 5.711 ( 1.323 -0.836 -0.631) 1.687 5.831 ( -5.216 -1.106 -6.883) 8.707 5.841 ( 1.392 -1.401 1.402) 2.422 5.995 ( -3.083 2.879 -1.563) 4.498 6.024 ( 4.052 -0.216 3.368) 5.274 6.246 ( 4.860 0.949 -3.383) 5.997 6.431 ( -4.697 8.675 4.383) 10.795 6.654 ( 2.883 7.235 -2.387) 8.146 6.703 ( 0.835 2.340 2.290) 3.379 6.819 ( -1.370 -6.760 -3.317) 7.653 7.171 ( -4.796 -11.608 2.347) 12.778 7.357 ( -3.678 -9.578 1.890) 10.432 7.637 ( 2.425 4.572 0.008) 5.176 7.836 ( -0.161 -2.438 -0.927) 2.613 ======================= Grid point 104 (47/57) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 8.005 5.708 -10.513) 14.394 1.167 ( 12.996 3.532 -10.133) 16.853 1.359 ( 12.409 14.949 -3.653) 19.769 1.439 ( 3.208 13.393 11.791) 18.130 1.758 ( -3.401 -3.692 -2.072) 5.431 1.825 ( -1.626 -1.472 0.738) 2.314 1.905 ( -4.164 -2.300 2.847) 5.544 1.964 ( -0.746 -5.263 1.606) 5.553 2.072 ( -2.112 -1.261 2.864) 3.775 2.107 ( -1.611 -3.489 3.095) 4.935 2.118 ( 1.765 -0.247 3.953) 4.336 2.134 ( -3.730 -2.883 -1.581) 4.972 2.193 ( -1.247 2.577 4.605) 5.422 2.277 ( -3.506 -3.215 0.695) 4.807 2.285 ( -4.245 -3.475 -2.714) 6.120 2.307 ( -0.911 -1.878 -0.087) 2.089 2.326 ( -0.185 -0.142 3.532) 3.540 2.365 ( -1.105 -2.250 -1.418) 2.880 2.449 ( 2.118 -6.802 0.250) 7.129 2.506 ( -3.259 -1.148 3.449) 4.881 2.532 ( -1.095 -4.365 -1.687) 4.806 2.606 ( -0.211 4.608 -5.739) 7.363 2.706 ( 9.221 7.758 -8.972) 15.024 2.756 ( -3.298 3.176 1.010) 4.688 3.009 ( 6.314 1.505 1.844) 6.748 3.080 ( 0.311 0.604 4.385) 4.438 3.314 ( -3.323 -0.172 0.264) 3.338 3.405 ( -3.871 -3.667 -0.910) 5.409 3.413 ( -8.932 -4.676 0.038) 10.082 3.455 ( 0.108 5.979 -4.984) 7.785 3.613 ( 0.793 -0.198 2.611) 2.736 3.666 ( -3.009 1.070 -4.962) 5.901 3.725 ( 6.809 -5.296 4.318) 9.646 4.722 ( 3.026 1.798 0.296) 3.532 4.785 ( 0.006 0.265 -2.639) 2.653 4.880 ( 1.240 1.820 0.573) 2.275 4.888 ( 1.196 0.655 -1.167) 1.795 4.937 ( -0.684 -0.230 2.358) 2.466 5.009 ( -0.942 -2.173 -0.617) 2.447 5.034 ( 0.799 0.330 -0.170) 0.881 5.054 ( -4.685 -0.028 -0.315) 4.696 5.126 ( -2.541 -3.477 1.215) 4.474 5.147 ( -0.255 -0.766 1.573) 1.768 5.192 ( -0.621 -2.689 -0.793) 2.871 5.217 ( -2.161 -1.765 0.408) 2.820 5.285 ( 0.250 -2.168 1.400) 2.593 5.334 ( -0.556 -2.739 -1.372) 3.113 5.353 ( -2.358 1.552 -1.571) 3.231 5.424 ( -0.841 -2.454 -1.013) 2.784 5.506 ( 0.597 1.997 -0.658) 2.186 5.510 ( 0.696 -0.712 1.139) 1.512 5.557 ( -1.236 1.120 1.124) 2.011 5.613 ( 0.720 1.674 0.923) 2.042 5.647 ( 0.139 -0.107 -2.163) 2.170 5.684 ( -2.005 -2.770 0.888) 3.533 5.729 ( -3.597 -0.962 -0.762) 3.801 5.738 ( 0.674 -2.232 -0.784) 2.460 5.902 ( 1.923 -1.100 0.700) 2.323 5.982 ( 3.684 -0.625 -2.050) 4.262 6.090 ( 2.150 1.731 1.553) 3.167 6.274 ( -2.803 4.648 9.020) 10.528 6.364 ( 7.372 0.473 -2.602) 7.832 6.619 ( 3.227 6.560 -6.141) 9.548 6.721 ( 1.794 1.439 1.163) 2.577 6.816 ( -4.458 -4.790 -3.288) 7.324 7.177 ( -7.420 -9.174 2.765) 12.118 7.351 ( -7.332 -6.790 2.032) 10.198 7.640 ( 2.894 4.549 0.186) 5.395 7.828 ( -2.191 -1.167 -1.101) 2.716 ======================= Grid point 109 (48/57) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 10.115 0.000 6.089) 11.806 1.508 ( -1.988 -0.000 -3.129) 3.707 1.578 ( -9.506 0.000 -7.154) 11.897 1.643 ( 0.262 0.000 -2.171) 2.187 1.688 ( -0.577 0.000 2.165) 2.241 1.809 ( -0.015 0.000 1.754) 1.754 1.877 ( -0.852 -0.000 -0.206) 0.876 1.907 ( -3.109 0.000 -2.008) 3.701 1.923 ( 0.769 0.000 5.605) 5.658 2.003 ( -2.538 0.000 3.560) 4.372 2.089 ( 1.493 0.000 3.647) 3.940 2.090 ( 2.137 -0.000 4.810) 5.264 2.158 ( -1.198 -0.000 5.394) 5.526 2.163 ( -3.490 -0.000 -6.481) 7.361 2.176 ( 2.709 0.000 7.170) 7.665 2.264 ( 3.796 0.000 -0.775) 3.874 2.289 ( 4.746 -0.000 -3.661) 5.994 2.360 ( 4.187 0.000 -4.726) 6.314 2.405 ( -2.063 0.000 -3.190) 3.799 2.410 ( -8.129 -0.000 -4.649) 9.365 2.645 ( 2.834 0.000 0.730) 2.926 2.762 ( 3.742 -0.000 -0.069) 3.743 2.847 ( 0.632 0.000 2.926) 2.993 2.884 ( 0.304 0.000 2.740) 2.757 3.036 ( -0.039 0.000 -4.380) 4.381 3.060 ( -4.452 0.000 -2.709) 5.212 3.120 ( -0.300 -0.000 -7.139) 7.146 3.218 ( 0.330 0.000 0.706) 0.779 3.380 ( 6.247 0.000 3.476) 7.149 3.455 ( -4.423 -0.000 -0.883) 4.510 3.534 ( 0.107 0.000 1.136) 1.141 3.642 ( -4.748 0.000 9.863) 10.947 3.863 ( 2.974 0.000 -5.830) 6.544 4.724 ( 1.147 0.000 3.611) 3.789 4.816 ( -0.717 0.000 -1.516) 1.677 4.850 ( 0.078 0.000 -2.733) 2.734 4.861 ( -3.181 -0.000 7.064) 7.747 4.890 ( 1.093 0.000 0.782) 1.344 4.972 ( -0.765 0.000 0.751) 1.072 4.994 ( 2.135 0.000 -2.268) 3.115 5.041 ( 0.582 0.000 2.939) 2.996 5.065 ( -1.719 0.000 -1.016) 1.997 5.093 ( 0.572 0.000 -3.018) 3.072 5.138 ( 1.222 0.000 -3.084) 3.317 5.199 ( 1.402 0.000 -1.132) 1.802 5.271 ( -2.903 0.000 -0.824) 3.018 5.386 ( 0.385 0.000 0.962) 1.036 5.395 ( -3.502 0.000 4.533) 5.729 5.421 ( 0.801 0.000 1.936) 2.096 5.481 ( 3.650 0.000 2.121) 4.222 5.551 ( -0.350 0.000 -1.146) 1.198 5.564 ( -1.209 0.000 0.605) 1.352 5.605 ( -0.867 0.000 0.161) 0.882 5.643 ( 1.387 0.000 1.865) 2.324 5.643 ( 1.430 -0.000 -1.975) 2.438 5.725 ( 1.611 -0.000 -0.674) 1.746 5.763 ( 1.542 0.000 -2.458) 2.902 5.886 ( -1.874 0.000 -6.037) 6.322 6.016 ( -3.323 0.000 -1.805) 3.781 6.180 ( -0.922 -0.000 -2.783) 2.932 6.251 ( 0.402 0.000 -3.503) 3.526 6.498 ( 3.872 0.000 -3.216) 5.034 6.655 ( 1.645 -0.000 1.554) 2.262 6.705 ( 1.300 0.000 5.847) 5.990 6.987 ( -2.893 -0.000 2.098) 3.574 6.987 ( -6.885 0.000 4.137) 8.032 7.119 ( 3.603 0.000 -1.390) 3.862 7.725 ( 0.468 -0.000 0.227) 0.520 7.737 ( 0.797 0.000 -0.935) 1.228 ======================= Grid point 111 (49/57) ======================= q-point: (-0.38 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -5.742 8.602 -7.901) 13.015 1.456 ( -4.475 12.186 -2.041) 13.142 1.554 ( 5.637 6.737 3.583) 9.487 1.625 ( 3.843 -4.501 2.103) 6.280 1.656 ( 2.856 5.761 0.369) 6.441 1.777 ( -4.044 0.539 1.656) 4.403 1.852 ( -5.929 -6.462 2.268) 9.058 1.892 ( -2.538 -5.999 -0.302) 6.521 1.950 ( -4.134 -1.002 0.576) 4.292 2.009 ( 0.325 -7.945 4.627) 9.199 2.087 ( -3.593 -0.202 -0.957) 3.724 2.105 ( -2.252 -6.531 0.284) 6.914 2.135 ( 2.702 2.521 3.009) 4.765 2.188 ( 0.040 -2.355 6.696) 7.099 2.226 ( -2.856 -3.328 -2.058) 4.845 2.276 ( -3.349 -0.778 -3.217) 4.708 2.344 ( 2.948 -0.591 -1.169) 3.226 2.350 ( 0.973 0.134 -1.959) 2.192 2.404 ( 2.837 -1.620 -3.508) 4.794 2.425 ( 3.937 -2.114 1.310) 4.657 2.634 ( -2.860 1.025 -2.683) 4.054 2.697 ( 5.493 19.903 6.875) 21.761 2.868 ( 3.516 1.285 -8.800) 9.563 2.941 ( 1.535 8.010 -2.682) 8.585 2.994 ( 2.268 3.409 0.556) 4.132 3.133 ( 3.392 -12.719 -0.451) 13.171 3.177 ( 0.453 0.811 1.295) 1.594 3.226 ( 4.397 -8.345 -0.862) 9.472 3.353 ( -4.685 -3.976 -3.033) 6.853 3.502 ( -1.249 0.472 4.795) 4.978 3.554 ( -0.543 -0.122 0.717) 0.907 3.584 ( 0.428 -0.135 5.664) 5.681 3.828 ( -3.820 2.032 -4.212) 6.039 4.748 ( 0.918 1.377 1.469) 2.213 4.795 ( -1.394 -0.670 -1.629) 2.246 4.850 ( 0.577 -0.545 2.467) 2.592 4.858 ( -0.633 -1.904 2.353) 3.092 4.924 ( 1.910 -1.546 -0.880) 2.611 4.983 ( 2.714 2.537 0.395) 3.736 5.010 ( -0.057 0.010 0.905) 0.907 5.030 ( -1.332 -0.801 0.121) 1.559 5.079 ( 0.954 -1.675 0.287) 1.949 5.108 ( 0.822 -0.339 -0.840) 1.223 5.140 ( 0.514 -2.637 -4.544) 5.279 5.205 ( -0.924 -0.807 -1.325) 1.806 5.227 ( -2.696 -0.458 1.666) 3.203 5.340 ( -4.237 -0.183 3.489) 5.491 5.382 ( -0.507 -0.736 -0.081) 0.897 5.462 ( 3.042 3.086 2.457) 4.982 5.523 ( -0.422 0.763 1.706) 1.917 5.539 ( -0.232 -0.790 1.397) 1.621 5.570 ( 1.665 -1.966 -0.202) 2.584 5.589 ( -0.364 0.682 -1.761) 1.924 5.654 ( -0.593 -0.547 0.453) 0.925 5.656 ( -0.299 1.278 -1.708) 2.154 5.690 ( -2.553 -1.212 -2.088) 3.514 5.815 ( -3.039 -0.399 1.787) 3.548 5.828 ( 4.813 -0.215 -8.347) 9.638 6.023 ( 3.257 0.167 2.751) 4.267 6.103 ( -4.068 7.509 -2.419) 8.876 6.232 ( -0.189 -3.674 -3.762) 5.262 6.547 ( -2.260 -6.662 -2.855) 7.593 6.613 ( -2.413 9.036 2.908) 9.794 6.765 ( 4.958 2.297 1.049) 5.564 6.876 ( -2.367 2.849 -0.461) 3.733 6.957 ( -6.499 -8.200 5.603) 11.868 7.203 ( 1.362 -5.583 0.307) 5.754 7.714 ( 1.845 3.561 -0.149) 4.014 7.781 ( 0.841 -3.118 -0.751) 3.315 ======================= Grid point 112 (50/57) ======================= q-point: (-0.25 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 6.667 8.436 -4.069) 11.497 1.300 ( 4.670 11.133 -5.038) 13.082 1.615 ( 6.153 10.210 -0.271) 11.924 1.659 ( 4.152 8.386 7.204) 11.809 1.693 ( -3.964 -3.161 0.403) 5.086 1.723 ( 1.186 -5.124 0.423) 5.276 1.841 ( -4.291 -7.865 1.314) 9.055 1.873 ( -5.568 -0.847 0.711) 5.677 1.942 ( -1.983 -10.981 2.473) 11.430 2.016 ( -5.754 -3.658 -0.589) 6.843 2.083 ( -4.804 -4.323 1.030) 6.544 2.117 ( -0.164 -3.459 -1.739) 3.875 2.156 ( 0.447 -0.975 -1.367) 1.737 2.174 ( -1.179 -2.574 0.619) 2.898 2.234 ( -0.116 -2.760 1.968) 3.392 2.282 ( 0.051 -1.517 -0.035) 1.518 2.316 ( -4.313 -0.143 1.447) 4.551 2.357 ( 1.038 1.571 -2.939) 3.490 2.448 ( 0.885 -3.304 -3.804) 5.115 2.500 ( -2.722 -0.199 2.953) 4.021 2.582 ( 3.849 1.525 -0.640) 4.190 2.663 ( 5.698 13.982 5.161) 15.956 2.810 ( -0.489 4.644 0.239) 4.676 2.936 ( 8.995 11.962 -9.878) 17.933 3.033 ( 5.136 1.170 3.778) 6.483 3.122 ( -1.719 3.702 1.739) 4.436 3.257 ( 1.545 -7.297 -5.082) 9.026 3.302 ( -6.679 -4.547 -3.158) 8.675 3.362 ( -12.303 -1.028 4.349) 13.090 3.498 ( 7.988 -9.476 2.160) 12.581 3.572 ( 3.292 -0.561 -0.642) 3.400 3.633 ( 0.671 0.034 1.833) 1.952 3.713 ( -4.574 2.682 -1.269) 5.452 4.747 ( 0.670 0.450 -0.576) 0.991 4.783 ( -0.166 -0.371 -0.215) 0.460 4.867 ( -0.438 -1.120 0.353) 1.254 4.884 ( 0.224 -1.618 3.781) 4.119 4.963 ( 0.222 -0.713 -0.746) 1.056 4.986 ( 2.146 2.306 -1.753) 3.605 5.015 ( -0.867 -1.125 -0.532) 1.517 5.048 ( 0.719 -1.406 1.906) 2.475 5.067 ( -2.264 -1.417 -0.848) 2.803 5.111 ( -1.151 -1.668 -0.965) 2.245 5.164 ( -2.822 -0.782 1.280) 3.196 5.193 ( -0.391 -1.238 -0.346) 1.343 5.235 ( 3.024 -3.286 -0.570) 4.502 5.296 ( -2.383 -1.048 1.576) 3.043 5.371 ( -1.405 0.447 -0.519) 1.563 5.454 ( 0.192 4.558 0.205) 4.567 5.512 ( 0.408 1.035 1.403) 1.791 5.542 ( 0.904 1.741 -0.556) 2.039 5.567 ( -0.249 0.081 -0.138) 0.296 5.622 ( -0.116 -1.112 1.042) 1.528 5.633 ( -0.391 -1.692 -0.234) 1.752 5.648 ( -0.384 -0.785 0.380) 0.953 5.678 ( -2.126 -1.781 -2.963) 4.059 5.749 ( -1.991 1.137 -0.574) 2.364 5.912 ( 3.474 1.849 -1.381) 4.170 5.984 ( 2.016 1.524 -4.104) 4.820 6.104 ( 3.829 0.032 1.827) 4.243 6.297 ( 3.166 -6.249 0.782) 7.049 6.429 ( -7.511 8.425 8.902) 14.375 6.573 ( -1.258 -4.324 -6.946) 8.278 6.776 ( 0.784 5.229 -5.920) 7.938 6.863 ( 3.514 2.655 -1.414) 4.626 6.967 ( -6.644 -12.112 7.509) 15.723 7.244 ( -2.243 -3.739 0.983) 4.470 7.718 ( 2.325 3.372 0.227) 4.102 7.797 ( -1.548 -1.842 -0.860) 2.554 ======================= Grid point 113 (51/57) ======================= q-point: (-0.12 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 12.167 6.919 -3.856) 14.518 1.441 ( 17.422 2.422 -2.134) 17.719 1.539 ( -7.381 4.571 5.722) 10.398 1.646 ( 0.716 0.880 -4.908) 5.038 1.666 ( 4.055 6.402 3.320) 8.273 1.780 ( -2.761 -1.375 -1.252) 3.329 1.838 ( -0.806 -2.888 1.948) 3.576 1.865 ( -0.344 -5.961 1.017) 6.057 1.957 ( -5.915 -2.588 0.653) 6.489 2.010 ( -4.263 -1.956 -5.671) 7.359 2.060 ( 4.242 -6.952 2.885) 8.640 2.113 ( -4.918 -1.690 -0.959) 5.288 2.148 ( -4.684 -0.031 -1.205) 4.837 2.180 ( 0.310 0.063 1.443) 1.477 2.207 ( -0.734 -0.682 -0.027) 1.002 2.279 ( -2.169 -4.262 3.453) 5.899 2.336 ( 2.520 1.794 3.232) 4.474 2.352 ( -1.105 -4.848 -2.334) 5.493 2.410 ( -3.468 -0.052 -4.127) 5.391 2.485 ( -1.033 0.029 1.026) 1.456 2.577 ( -1.681 0.706 -2.288) 2.925 2.706 ( 7.740 3.582 5.496) 10.146 2.840 ( 9.054 8.755 4.833) 13.491 2.947 ( 9.350 11.538 -6.012) 16.022 3.005 ( -14.312 -4.598 2.121) 15.181 3.133 ( 5.032 1.652 2.707) 5.948 3.177 ( -8.050 -2.540 2.156) 8.712 3.235 ( -4.628 -0.067 -0.550) 4.661 3.340 ( 2.953 -5.733 -5.365) 8.389 3.490 ( -1.956 5.030 -3.089) 6.219 3.585 ( -3.162 0.327 -0.697) 3.254 3.636 ( -2.741 2.592 -3.170) 4.927 3.790 ( 6.226 -7.804 4.759) 11.060 4.765 ( 1.580 -0.064 0.324) 1.614 4.798 ( 1.490 -0.348 0.112) 1.534 4.871 ( -0.665 -0.442 0.122) 0.808 4.882 ( -2.220 -0.899 0.064) 2.396 4.953 ( -0.724 0.742 1.820) 2.094 4.976 ( -2.397 0.668 -2.251) 3.356 5.013 ( -2.062 -1.923 -0.641) 2.892 5.016 ( 2.014 1.552 -0.435) 2.580 5.078 ( -1.724 -1.422 1.720) 2.820 5.113 ( -0.935 -2.482 -1.613) 3.105 5.152 ( -0.013 -1.857 0.460) 1.914 5.196 ( -0.664 0.021 1.351) 1.505 5.279 ( -0.524 -0.515 -2.424) 2.533 5.314 ( 2.170 -2.015 1.478) 3.310 5.356 ( 0.233 -1.444 1.205) 1.895 5.401 ( -1.132 3.789 -3.164) 5.065 5.523 ( 1.149 0.128 0.986) 1.519 5.542 ( -0.169 4.100 1.153) 4.263 5.559 ( 0.574 0.184 -0.476) 0.768 5.600 ( -0.834 -2.319 -2.550) 3.546 5.635 ( -0.916 -0.902 -0.981) 1.617 5.653 ( 0.595 0.686 0.972) 1.330 5.674 ( -0.451 -1.618 1.461) 2.227 5.740 ( -0.284 -1.142 -0.626) 1.333 5.913 ( 0.314 -0.328 2.765) 2.802 6.053 ( 2.381 0.879 -1.332) 2.867 6.181 ( 7.438 2.361 0.322) 7.810 6.290 ( -3.107 3.606 3.785) 6.081 6.409 ( -2.522 -9.376 0.523) 9.724 6.608 ( 5.951 -0.524 -1.265) 6.107 6.703 ( -0.613 3.836 -6.871) 7.893 6.864 ( -0.507 0.942 -1.870) 2.155 7.011 ( -2.143 -7.155 6.650) 10.000 7.201 ( -5.797 -0.467 0.265) 5.822 7.706 ( -0.352 3.230 -0.557) 3.296 7.784 ( -0.423 -0.949 -0.261) 1.072 ======================= Grid point 119 (52/57) ======================= q-point: ( 0.62 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 5.063 0.000 -1.694) 5.339 1.507 ( -3.043 -0.000 2.132) 3.715 1.603 ( 6.073 0.000 1.760) 6.323 1.651 ( -0.324 -0.000 -0.715) 0.785 1.690 ( -6.153 -0.000 0.216) 6.157 1.736 ( 3.730 0.000 0.912) 3.840 1.783 ( -3.795 -0.000 0.431) 3.819 1.836 ( -0.756 -0.000 4.927) 4.985 1.890 ( -3.309 -0.000 -1.624) 3.686 1.957 ( -0.122 -0.000 1.398) 1.404 1.986 ( -5.407 -0.000 3.044) 6.205 2.088 ( 0.720 0.000 3.590) 3.661 2.132 ( -1.945 -0.000 -6.701) 6.978 2.191 ( 0.075 0.000 3.357) 3.358 2.199 ( 1.484 0.000 0.210) 1.499 2.253 ( -0.148 -0.000 -0.497) 0.519 2.331 ( -3.357 -0.000 -0.477) 3.391 2.371 ( 1.307 0.000 -10.024) 10.109 2.453 ( 0.825 0.000 0.125) 0.834 2.469 ( 2.518 0.000 8.189) 8.568 2.567 ( -1.023 -0.000 -6.635) 6.713 2.774 ( -4.781 -0.000 -4.782) 6.762 3.006 ( 6.186 0.000 -3.574) 7.144 3.037 ( 5.566 0.000 0.823) 5.626 3.112 ( 4.267 0.000 1.015) 4.386 3.179 ( 7.545 0.000 0.639) 7.572 3.186 ( 1.432 0.000 4.100) 4.343 3.219 ( 0.319 0.000 3.107) 3.123 3.240 ( -0.151 -0.000 -1.626) 1.633 3.356 ( -11.259 -0.000 2.907) 11.628 3.589 ( 1.892 0.000 -1.013) 2.146 3.640 ( 1.566 0.000 -0.408) 1.618 3.742 ( -5.581 -0.000 -0.939) 5.660 4.747 ( -0.553 -0.000 -1.009) 1.151 4.775 ( -0.618 -0.000 1.475) 1.600 4.861 ( 0.107 0.000 5.016) 5.017 4.863 ( 0.286 0.000 0.375) 0.471 4.954 ( 2.401 0.000 -1.800) 3.001 4.987 ( -2.936 -0.000 -1.423) 3.263 5.009 ( 0.383 0.000 0.159) 0.415 5.049 ( 1.636 0.000 1.514) 2.229 5.057 ( -1.831 -0.000 -1.121) 2.147 5.116 ( 0.873 0.000 -0.561) 1.037 5.152 ( 1.650 0.000 -2.412) 2.922 5.160 ( -1.856 -0.000 -0.569) 1.941 5.202 ( -0.101 -0.000 0.777) 0.783 5.287 ( -2.231 -0.000 2.634) 3.452 5.374 ( -0.867 -0.000 -0.276) 0.910 5.507 ( -0.978 -0.000 0.235) 1.006 5.543 ( 0.776 0.000 2.764) 2.871 5.566 ( 3.827 0.000 3.761) 5.366 5.572 ( 0.514 0.000 -0.280) 0.585 5.597 ( -3.327 -0.000 -1.107) 3.506 5.605 ( 2.164 0.000 -2.201) 3.086 5.631 ( -1.511 -0.000 0.908) 1.763 5.667 ( -0.730 -0.000 -3.345) 3.423 5.764 ( -2.727 -0.000 -1.177) 2.970 5.933 ( 8.246 0.000 -3.940) 9.139 6.070 ( -6.451 -0.000 -3.490) 7.335 6.070 ( 0.255 0.000 -2.556) 2.569 6.171 ( 3.265 0.000 2.724) 4.252 6.511 ( 1.924 0.000 -0.537) 1.997 6.634 ( -4.129 -0.000 4.260) 5.933 6.730 ( -7.777 -0.000 2.049) 8.042 6.859 ( -4.837 -0.000 -0.018) 4.837 6.890 ( 6.327 0.000 -1.949) 6.620 7.212 ( 1.257 0.000 1.469) 1.933 7.758 ( 0.904 0.000 0.107) 0.910 7.770 ( 0.081 0.000 -0.588) 0.594 ======================= Grid point 121 (53/57) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 7.703 7.223 1.194) 10.627 1.487 ( 9.750 1.437 0.468) 9.866 1.569 ( -7.496 2.701 -0.082) 7.968 1.649 ( -3.346 -3.368 -1.574) 5.001 1.705 ( 1.207 3.173 2.258) 4.077 1.722 ( -4.015 -4.824 2.655) 6.815 1.809 ( 2.449 -0.582 0.599) 2.587 1.816 ( -1.794 -2.727 -0.966) 3.404 1.886 ( 4.975 -6.368 1.822) 8.284 1.942 ( 1.738 1.437 2.428) 3.314 2.014 ( 1.565 -0.011 -0.011) 1.565 2.107 ( 0.537 0.700 2.632) 2.776 2.137 ( 1.302 -2.382 -3.078) 4.104 2.195 ( -0.665 0.655 3.651) 3.768 2.207 ( -7.123 1.426 -4.184) 8.383 2.221 ( 0.792 -0.622 -0.368) 1.072 2.258 ( 0.628 -2.494 -3.203) 4.107 2.375 ( 1.475 -2.483 -8.236) 8.728 2.415 ( -1.902 2.122 1.299) 3.132 2.506 ( 0.966 2.994 6.473) 7.197 2.575 ( -1.301 -1.425 -3.556) 4.046 2.718 ( 0.521 -0.661 1.319) 1.564 2.926 ( -21.723 -2.253 3.382) 22.100 3.036 ( 6.003 6.011 -5.317) 10.022 3.145 ( -1.928 0.382 -0.614) 2.059 3.157 ( 0.346 -0.685 1.658) 1.827 3.192 ( -0.341 1.298 1.397) 1.937 3.210 ( 7.522 11.880 4.017) 14.624 3.291 ( 5.677 0.856 -5.405) 7.885 3.529 ( 4.900 -8.316 2.315) 9.926 3.592 ( -1.300 -1.220 1.952) 2.644 3.602 ( -0.699 -2.834 0.636) 2.987 3.675 ( -2.665 0.997 -3.678) 4.650 4.755 ( 1.313 -0.831 -0.003) 1.554 4.784 ( 0.804 -0.418 2.047) 2.238 4.864 ( 0.147 -0.069 1.534) 1.543 4.871 ( -1.108 -0.607 1.926) 2.303 4.926 ( -3.587 -0.590 0.062) 3.635 4.966 ( -2.534 -2.255 0.319) 3.407 5.013 ( -2.200 1.039 -0.932) 2.605 5.032 ( 1.519 -0.435 -0.378) 1.625 5.063 ( 0.623 -0.429 -1.176) 1.398 5.113 ( 0.405 2.194 -1.419) 2.644 5.131 ( 0.915 0.167 0.061) 0.932 5.185 ( 0.839 -1.426 -0.300) 1.682 5.242 ( 2.411 -2.017 -4.494) 5.484 5.285 ( 0.352 -0.423 2.807) 2.860 5.350 ( -1.469 -0.151 1.931) 2.431 5.492 ( 0.130 3.442 -0.899) 3.560 5.543 ( -0.231 1.379 2.502) 2.867 5.560 ( -0.178 0.242 -0.269) 0.403 5.573 ( -1.253 0.491 -4.406) 4.607 5.607 ( 1.206 1.754 -0.852) 2.293 5.625 ( -0.158 0.526 1.708) 1.794 5.634 ( 1.997 -1.117 -0.673) 2.385 5.663 ( 0.940 -1.513 2.616) 3.165 5.719 ( -2.119 -0.776 -1.427) 2.670 5.938 ( -1.587 3.401 0.923) 3.865 6.036 ( -0.606 -4.117 -1.159) 4.320 6.126 ( 3.906 -4.835 -6.838) 9.240 6.275 ( 7.092 -1.358 1.424) 7.360 6.461 ( -5.600 11.258 7.930) 14.865 6.617 ( 7.603 0.029 -0.117) 7.604 6.693 ( -4.785 -7.640 -3.242) 9.580 6.779 ( -6.029 -3.694 2.967) 7.668 6.968 ( 3.896 0.910 -3.280) 5.173 7.221 ( -0.107 1.345 1.856) 2.295 7.748 ( -2.586 0.753 -0.628) 2.766 7.773 ( 1.533 0.077 0.040) 1.535 ======================= Grid point 122 (54/57) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -15.575 3.073 4.403) 16.475 1.506 ( 3.038 -1.207 -4.780) 5.791 1.538 ( -3.275 -5.179 -1.773) 6.379 1.635 ( -4.703 0.109 -1.578) 4.962 1.690 ( -1.828 0.135 -0.253) 1.850 1.753 ( 6.438 1.209 -1.282) 6.675 1.855 ( 4.441 -2.016 0.707) 4.928 1.913 ( 8.551 0.596 -0.500) 8.586 1.976 ( -0.854 2.485 5.859) 6.421 1.997 ( 1.273 1.680 -0.786) 2.250 2.020 ( -0.488 6.075 -4.370) 7.499 2.060 ( 3.061 -7.591 0.649) 8.211 2.120 ( 1.729 0.826 0.668) 2.029 2.206 ( 3.178 -0.248 -4.379) 5.417 2.214 ( 1.664 0.776 5.021) 5.346 2.277 ( 3.439 -1.540 2.073) 4.301 2.306 ( 1.435 -2.822 -2.048) 3.771 2.373 ( 0.880 0.016 -3.780) 3.882 2.407 ( 2.100 2.394 -1.066) 3.358 2.497 ( -2.367 4.205 6.422) 8.033 2.556 ( -3.171 -3.730 0.448) 4.916 2.588 ( -18.961 -7.056 3.275) 20.495 2.767 ( 1.074 -1.838 3.642) 4.219 3.027 ( -5.274 1.508 -3.717) 6.626 3.084 ( 2.516 1.582 -3.454) 4.557 3.166 ( 0.229 0.675 0.376) 0.806 3.203 ( 2.525 2.074 3.377) 4.699 3.239 ( 7.028 9.233 1.768) 11.738 3.382 ( 2.695 0.439 2.601) 3.772 3.475 ( -3.389 2.693 -4.310) 6.109 3.555 ( 1.241 1.159 -0.530) 1.779 3.583 ( -3.657 2.068 -7.385) 8.496 3.800 ( 3.262 -9.198 4.388) 10.700 4.791 ( 0.696 -1.753 -0.836) 2.063 4.807 ( 0.982 0.133 0.925) 1.356 4.830 ( -3.185 -0.373 -0.843) 3.315 4.873 ( -1.043 -0.549 1.470) 1.885 4.915 ( 0.720 -1.183 1.751) 2.232 4.945 ( -1.361 -2.036 0.423) 2.485 4.988 ( 0.262 0.288 1.881) 1.921 5.049 ( 0.290 0.870 -0.097) 0.922 5.084 ( 3.096 1.007 -1.508) 3.588 5.102 ( 1.428 0.747 -3.394) 3.758 5.165 ( 2.501 -0.903 -0.041) 2.660 5.206 ( 0.996 1.965 0.690) 2.308 5.258 ( -0.685 -1.902 -2.022) 2.859 5.312 ( 0.400 -1.768 0.290) 1.835 5.355 ( 0.451 -0.602 1.414) 1.601 5.427 ( -0.555 4.781 -1.394) 5.011 5.537 ( -0.347 0.343 1.791) 1.857 5.556 ( -0.225 -0.652 -0.004) 0.689 5.564 ( 0.444 -0.633 -2.972) 3.071 5.611 ( 0.547 3.348 0.545) 3.436 5.620 ( 0.494 -0.047 -1.649) 1.722 5.664 ( -0.631 1.010 1.831) 2.185 5.691 ( 2.129 -0.775 1.362) 2.644 5.709 ( -0.006 -1.773 -0.993) 2.033 5.927 ( 0.719 -0.117 2.870) 2.961 6.050 ( -1.354 -2.442 -0.068) 2.793 6.162 ( -4.518 -7.268 -2.528) 8.923 6.297 ( -4.013 7.841 6.827) 11.144 6.451 ( 12.117 2.091 -3.326) 12.738 6.574 ( -6.489 -1.705 -7.155) 9.809 6.758 ( -5.272 -6.807 4.592) 9.758 6.857 ( 14.025 -0.623 4.468) 14.733 6.955 ( -3.956 0.190 -3.302) 5.157 7.217 ( 3.989 5.246 0.488) 6.608 7.682 ( -3.462 0.815 -0.709) 3.626 7.802 ( 1.941 0.316 -0.349) 1.998 ======================= Grid point 129 (55/57) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -8.858 -0.000 -5.296) 10.321 1.431 ( -10.100 -0.000 -0.319) 10.105 1.526 ( -10.416 -0.000 1.885) 10.585 1.607 ( -1.437 -0.000 0.759) 1.625 1.756 ( 2.678 0.000 1.214) 2.940 1.759 ( 5.005 0.000 -1.381) 5.192 1.845 ( 9.805 0.000 2.856) 10.213 1.890 ( 3.696 0.000 1.237) 3.898 1.954 ( 7.851 0.000 -1.197) 7.942 2.002 ( -2.796 -0.000 4.465) 5.268 2.020 ( 6.855 0.000 -1.494) 7.016 2.097 ( -2.272 -0.000 -2.651) 3.491 2.135 ( 0.719 0.000 -0.255) 0.763 2.212 ( 0.773 0.000 1.937) 2.086 2.220 ( 7.560 0.000 -2.688) 8.023 2.255 ( 3.349 0.000 2.833) 4.386 2.268 ( 3.627 0.000 -4.231) 5.573 2.397 ( -1.270 -0.000 -0.280) 1.301 2.399 ( 5.647 0.000 -4.580) 7.271 2.488 ( -27.870 -0.000 4.050) 28.163 2.532 ( -0.569 -0.000 -2.426) 2.491 2.571 ( 0.356 0.000 10.531) 10.537 2.741 ( 1.753 0.000 2.292) 2.886 3.045 ( -7.328 -0.000 -5.009) 8.876 3.072 ( -0.560 -0.000 -4.692) 4.726 3.161 ( -0.058 -0.000 2.731) 2.732 3.228 ( 3.118 0.000 1.810) 3.605 3.351 ( 3.885 0.000 -0.293) 3.896 3.475 ( 0.071 0.000 -2.547) 2.548 3.525 ( 0.438 0.000 1.950) 1.999 3.561 ( 1.157 0.000 1.883) 2.211 3.598 ( -2.674 -0.000 -5.489) 6.106 3.624 ( 5.804 0.000 2.454) 6.301 4.766 ( 0.745 0.000 -0.503) 0.899 4.812 ( 0.448 0.000 0.329) 0.556 4.825 ( -5.833 -0.000 -1.226) 5.960 4.880 ( 0.622 0.000 1.512) 1.634 4.891 ( 1.368 0.000 5.811) 5.969 4.915 ( -0.124 -0.000 0.128) 0.179 4.998 ( -0.752 -0.000 1.833) 1.981 5.061 ( 1.865 0.000 -0.278) 1.886 5.079 ( 2.460 0.000 -2.354) 3.405 5.129 ( 2.211 0.000 -0.808) 2.354 5.172 ( 2.431 0.000 -3.668) 4.400 5.191 ( 1.406 0.000 -1.076) 1.771 5.265 ( 2.393 0.000 -3.168) 3.970 5.286 ( -0.760 -0.000 1.287) 1.495 5.342 ( -0.206 -0.000 3.494) 3.500 5.521 ( -2.506 -0.000 -0.763) 2.619 5.522 ( 0.753 0.000 0.625) 0.979 5.548 ( -1.206 -0.000 0.384) 1.266 5.549 ( 0.346 0.000 -3.520) 3.537 5.619 ( 0.016 0.000 -3.446) 3.446 5.652 ( -1.406 -0.000 0.235) 1.425 5.663 ( 0.550 0.000 0.383) 0.671 5.688 ( 4.019 0.000 2.386) 4.674 5.691 ( 0.846 0.000 1.731) 1.927 5.944 ( -1.188 -0.000 2.707) 2.957 5.967 ( -0.291 -0.000 0.541) 0.614 6.110 ( -1.906 -0.000 -4.861) 5.222 6.454 ( 0.073 0.000 -0.210) 0.222 6.486 ( -5.636 -0.000 -1.352) 5.796 6.494 ( 7.543 0.000 3.473) 8.304 6.651 ( -7.441 -0.000 2.357) 7.805 6.849 ( 13.081 0.000 4.229) 13.748 6.974 ( -0.814 -0.000 -5.530) 5.589 7.270 ( 4.606 0.000 0.859) 4.685 7.694 ( -4.292 -0.000 -0.578) 4.330 7.803 ( 2.263 0.000 -0.514) 2.321 ======================= Grid point 130 (56/57) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -18.140 6.881 5.816) 20.254 1.275 ( -15.234 -6.458 1.242) 16.592 1.387 ( -8.107 -3.086 -10.238) 13.419 1.545 ( -3.143 -3.667 -12.259) 13.176 1.786 ( -2.951 3.300 2.606) 5.137 1.803 ( 3.460 1.890 0.192) 3.947 1.871 ( 2.088 -0.753 2.407) 3.274 1.932 ( -21.881 -5.214 8.535) 24.059 1.983 ( 2.778 -2.898 1.302) 4.220 2.081 ( 3.065 1.468 1.857) 3.873 2.112 ( 0.401 0.293 3.191) 3.229 2.123 ( 5.412 1.737 0.752) 5.733 2.136 ( 8.739 1.227 -0.421) 8.835 2.224 ( 9.734 -0.407 -1.716) 9.893 2.258 ( 1.549 -1.345 2.972) 3.611 2.306 ( -0.351 -1.143 0.449) 1.277 2.331 ( 4.090 -0.021 -2.601) 4.846 2.347 ( 9.580 4.153 -4.979) 11.568 2.413 ( 2.613 0.894 0.322) 2.780 2.494 ( 7.189 1.862 -1.860) 7.655 2.566 ( 1.354 1.310 6.438) 6.708 2.603 ( 4.138 -1.402 1.666) 4.676 2.763 ( -1.113 0.130 1.097) 1.568 2.873 ( -10.126 -0.158 -7.909) 12.850 3.047 ( -2.865 -3.101 -3.184) 5.288 3.173 ( 0.370 0.362 4.355) 4.385 3.264 ( -1.059 0.090 -0.909) 1.398 3.347 ( -3.607 0.177 8.210) 8.969 3.420 ( 0.107 1.954 -0.856) 2.136 3.468 ( 0.252 8.077 -3.232) 8.703 3.528 ( -0.226 3.366 -2.390) 4.135 3.653 ( 5.368 -3.028 -3.074) 6.888 3.773 ( 3.247 -5.146 1.633) 6.300 4.734 ( -4.630 -0.671 -0.287) 4.687 4.768 ( -2.050 -1.207 -0.406) 2.413 4.806 ( -0.548 -1.710 0.545) 1.877 4.889 ( 1.568 1.521 -0.702) 2.294 4.923 ( 1.001 -1.927 -1.518) 2.649 4.974 ( 3.533 0.120 2.821) 4.522 4.995 ( -0.750 -0.271 3.191) 3.289 5.080 ( 1.962 1.615 0.284) 2.557 5.145 ( 4.486 -0.116 -0.052) 4.488 5.163 ( 4.427 2.601 -2.785) 5.841 5.212 ( 2.131 -0.558 0.746) 2.326 5.220 ( 2.181 -1.776 -2.656) 3.869 5.255 ( 0.258 3.139 0.507) 3.190 5.316 ( 2.362 -1.229 0.107) 2.665 5.365 ( 1.461 -0.878 1.359) 2.180 5.458 ( -0.941 4.764 -0.241) 4.862 5.529 ( -1.655 -1.401 -2.236) 3.115 5.540 ( -0.126 0.403 1.223) 1.294 5.554 ( 0.257 -0.942 -1.048) 1.432 5.576 ( -2.331 -2.203 -2.934) 4.347 5.641 ( -1.205 2.499 0.130) 2.778 5.683 ( 2.407 0.182 1.475) 2.828 5.711 ( 0.821 -0.859 -0.640) 1.350 5.756 ( 3.809 1.309 4.243) 5.850 5.953 ( 1.342 0.506 2.276) 2.690 5.996 ( -0.150 -3.999 1.559) 4.295 6.048 ( -3.991 -1.164 -4.885) 6.415 6.319 ( -4.128 6.909 5.710) 9.868 6.401 ( -7.135 -2.200 -5.607) 9.337 6.582 ( -5.736 -6.300 4.775) 9.766 6.679 ( 3.193 -0.251 -1.361) 3.480 6.864 ( 0.635 1.751 -2.887) 3.436 7.143 ( 15.360 1.507 1.715) 15.529 7.366 ( 8.523 2.932 0.030) 9.013 7.615 ( -4.664 -0.336 -0.475) 4.701 7.837 ( 1.975 0.294 -1.262) 2.362 ======================= Grid point 138 (57/57) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.32e-04 2.32e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -24.452 -0.000 -1.604) 24.504 0.988 ( -17.492 -0.000 15.743) 23.533 1.254 ( -2.808 -0.000 -16.476) 16.714 1.354 ( -19.143 -0.000 -2.632) 19.323 1.487 ( -13.561 -0.000 3.093) 13.909 1.774 ( -1.463 -0.000 8.164) 8.294 1.831 ( 1.499 0.000 -0.310) 1.530 1.979 ( -0.569 -0.000 1.574) 1.674 1.990 ( 2.474 0.000 1.830) 3.077 2.139 ( 2.669 0.000 4.184) 4.963 2.197 ( 4.478 0.000 1.729) 4.801 2.218 ( 6.744 0.000 -0.161) 6.745 2.254 ( 4.944 0.000 -3.877) 6.283 2.284 ( 1.572 0.000 -4.750) 5.003 2.314 ( 4.562 0.000 1.359) 4.760 2.403 ( 4.451 0.000 0.734) 4.511 2.407 ( -4.166 -0.000 -3.336) 5.337 2.437 ( 11.145 0.000 -3.646) 11.726 2.588 ( 13.522 0.000 1.584) 13.615 2.600 ( 4.397 0.000 3.369) 5.539 2.622 ( -0.209 -0.000 -2.376) 2.385 2.646 ( 4.166 0.000 0.026) 4.166 2.668 ( -3.723 -0.000 -10.584) 11.219 2.769 ( -1.144 -0.000 1.069) 1.565 2.994 ( 0.461 0.000 -2.091) 2.142 3.166 ( -7.256 -0.000 -2.209) 7.584 3.200 ( 0.680 0.000 2.711) 2.795 3.311 ( -2.733 -0.000 13.974) 14.238 3.450 ( -2.046 -0.000 0.454) 2.096 3.481 ( 1.390 0.000 3.603) 3.862 3.586 ( -1.824 -0.000 -1.356) 2.273 3.620 ( 0.449 0.000 -1.424) 1.493 3.845 ( 6.068 0.000 -5.294) 8.053 4.674 ( -2.487 -0.000 1.424) 2.866 4.719 ( -3.163 -0.000 1.447) 3.479 4.796 ( 0.531 0.000 -1.331) 1.433 4.892 ( -2.540 -0.000 -1.660) 3.034 4.926 ( 1.857 0.000 -2.651) 3.237 4.983 ( -1.174 -0.000 2.589) 2.843 5.026 ( 2.310 0.000 1.231) 2.617 5.134 ( 3.039 0.000 0.513) 3.082 5.193 ( -0.560 -0.000 -0.102) 0.569 5.203 ( 1.353 0.000 -2.194) 2.578 5.252 ( 3.295 0.000 0.906) 3.417 5.277 ( 3.322 0.000 -0.025) 3.322 5.306 ( 4.298 0.000 0.141) 4.300 5.364 ( 3.057 0.000 0.110) 3.059 5.406 ( 3.755 0.000 0.009) 3.755 5.470 ( -2.379 -0.000 0.612) 2.457 5.490 ( -0.168 -0.000 0.064) 0.180 5.508 ( -0.808 -0.000 -1.827) 1.998 5.566 ( 2.123 0.000 -3.028) 3.698 5.573 ( 2.783 0.000 4.026) 4.895 5.609 ( -3.656 -0.000 -0.014) 3.656 5.703 ( -0.718 -0.000 -1.454) 1.622 5.744 ( 3.798 0.000 1.015) 3.931 5.838 ( 3.391 0.000 5.945) 6.844 5.965 ( -3.056 -0.000 -4.439) 5.389 5.996 ( 2.179 0.000 1.243) 2.508 5.997 ( 1.597 0.000 0.192) 1.608 6.268 ( -3.911 -0.000 -8.185) 9.072 6.314 ( -4.079 -0.000 6.989) 8.092 6.442 ( -7.243 -0.000 5.077) 8.845 6.560 ( -11.428 -0.000 -3.788) 12.040 7.020 ( 11.411 0.000 0.286) 11.415 7.373 ( 10.766 0.000 -0.214) 10.768 7.535 ( -4.333 -0.000 -0.271) 4.341 7.541 ( 10.818 0.000 0.098) 10.818 7.853 ( 0.129 0.000 -1.981) 1.986 =================== 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 3/13248 10.0 552.879 636.756 511.653 -0.000 88.268 -0.000 3/13248 20.0 135.754 134.815 115.861 -0.000 19.490 -0.000 3/13248 30.0 56.366 55.891 48.798 -0.000 7.305 -0.000 3/13248 40.0 31.841 31.740 27.978 -0.000 3.881 -0.000 3/13248 50.0 20.881 20.957 18.556 -0.000 2.479 -0.000 3/13248 60.0 15.045 15.194 13.481 -0.000 1.766 -0.000 3/13248 70.0 11.581 11.756 10.441 -0.000 1.352 -0.000 3/13248 80.0 9.353 9.531 8.470 -0.000 1.088 -0.000 3/13248 90.0 7.826 7.999 7.110 -0.000 0.908 -0.000 3/13248 100.0 6.724 6.889 6.123 -0.000 0.779 -0.000 3/13248 110.0 5.897 6.052 5.379 -0.000 0.682 -0.000 3/13248 120.0 5.254 5.399 4.799 -0.000 0.607 -0.000 3/13248 130.0 4.740 4.877 4.335 -0.000 0.547 -0.000 3/13248 140.0 4.321 4.450 3.955 -0.000 0.498 -0.000 3/13248 150.0 3.973 4.094 3.638 -0.000 0.458 -0.000 3/13248 160.0 3.678 3.792 3.370 -0.000 0.423 -0.000 3/13248 170.0 3.425 3.534 3.140 -0.000 0.394 -0.000 3/13248 180.0 3.207 3.309 2.941 -0.000 0.369 -0.000 3/13248 190.0 3.015 3.113 2.766 -0.000 0.347 -0.000 3/13248 200.0 2.846 2.939 2.611 -0.000 0.327 -0.000 3/13248 210.0 2.695 2.784 2.473 -0.000 0.310 -0.000 3/13248 220.0 2.560 2.645 2.350 -0.000 0.294 -0.000 3/13248 230.0 2.438 2.520 2.239 -0.000 0.280 -0.000 3/13248 240.0 2.328 2.406 2.138 -0.000 0.267 -0.000 3/13248 250.0 2.227 2.302 2.046 -0.000 0.255 -0.000 3/13248 260.0 2.135 2.208 1.961 -0.000 0.245 -0.000 3/13248 270.0 2.051 2.121 1.884 -0.000 0.235 -0.000 3/13248 280.0 1.973 2.040 1.813 -0.000 0.226 -0.000 3/13248 290.0 1.901 1.966 1.747 -0.000 0.218 -0.000 3/13248 300.0 1.834 1.897 1.685 -0.000 0.210 -0.000 3/13248 310.0 1.772 1.833 1.628 -0.000 0.203 -0.000 3/13248 320.0 1.714 1.773 1.575 -0.000 0.196 -0.000 3/13248 330.0 1.660 1.717 1.525 -0.000 0.190 -0.000 3/13248 340.0 1.609 1.664 1.478 -0.000 0.184 -0.000 3/13248 350.0 1.561 1.615 1.435 -0.000 0.179 -0.000 3/13248 360.0 1.516 1.568 1.393 -0.000 0.174 -0.000 3/13248 370.0 1.474 1.525 1.354 -0.000 0.169 -0.000 3/13248 380.0 1.433 1.483 1.317 -0.000 0.164 -0.000 3/13248 390.0 1.396 1.444 1.283 -0.000 0.160 -0.000 3/13248 400.0 1.360 1.407 1.250 -0.000 0.156 -0.000 3/13248 410.0 1.325 1.371 1.218 -0.000 0.152 -0.000 3/13248 420.0 1.293 1.338 1.189 -0.000 0.148 -0.000 3/13248 430.0 1.262 1.306 1.160 -0.000 0.144 -0.000 3/13248 440.0 1.233 1.276 1.133 -0.000 0.141 -0.000 3/13248 450.0 1.205 1.247 1.107 -0.000 0.138 -0.000 3/13248 460.0 1.178 1.219 1.083 -0.000 0.135 -0.000 3/13248 470.0 1.152 1.192 1.059 -0.000 0.132 -0.000 3/13248 480.0 1.128 1.167 1.037 -0.000 0.129 -0.000 3/13248 490.0 1.104 1.143 1.015 -0.000 0.126 -0.000 3/13248 500.0 1.082 1.120 0.995 -0.000 0.124 -0.000 3/13248 510.0 1.060 1.097 0.975 -0.000 0.121 -0.000 3/13248 520.0 1.039 1.076 0.956 -0.000 0.119 -0.000 3/13248 530.0 1.020 1.055 0.937 -0.000 0.117 -0.000 3/13248 540.0 1.000 1.035 0.920 -0.000 0.114 -0.000 3/13248 550.0 0.982 1.016 0.903 -0.000 0.112 -0.000 3/13248 560.0 0.964 0.998 0.886 -0.000 0.110 -0.000 3/13248 570.0 0.947 0.980 0.871 -0.000 0.108 -0.000 3/13248 580.0 0.930 0.963 0.855 -0.000 0.106 -0.000 3/13248 590.0 0.914 0.946 0.841 -0.000 0.105 -0.000 3/13248 600.0 0.899 0.930 0.826 -0.000 0.103 -0.000 3/13248 610.0 0.884 0.915 0.813 -0.000 0.101 -0.000 3/13248 620.0 0.870 0.900 0.800 -0.000 0.099 -0.000 3/13248 630.0 0.856 0.886 0.787 -0.000 0.098 -0.000 3/13248 640.0 0.842 0.872 0.774 -0.000 0.096 -0.000 3/13248 650.0 0.829 0.858 0.762 -0.000 0.095 -0.000 3/13248 660.0 0.816 0.845 0.751 -0.000 0.093 -0.000 3/13248 670.0 0.804 0.832 0.739 -0.000 0.092 -0.000 3/13248 680.0 0.792 0.820 0.728 -0.000 0.091 -0.000 3/13248 690.0 0.780 0.808 0.718 -0.000 0.089 -0.000 3/13248 700.0 0.769 0.796 0.707 -0.000 0.088 -0.000 3/13248 710.0 0.758 0.785 0.697 -0.000 0.087 -0.000 3/13248 720.0 0.748 0.774 0.687 -0.000 0.085 -0.000 3/13248 730.0 0.737 0.763 0.678 -0.000 0.084 -0.000 3/13248 740.0 0.727 0.753 0.669 -0.000 0.083 -0.000 3/13248 750.0 0.718 0.743 0.660 -0.000 0.082 -0.000 3/13248 760.0 0.708 0.733 0.651 -0.000 0.081 -0.000 3/13248 770.0 0.699 0.723 0.642 -0.000 0.080 -0.000 3/13248 780.0 0.690 0.714 0.634 -0.000 0.079 -0.000 3/13248 790.0 0.681 0.705 0.626 -0.000 0.078 -0.000 3/13248 800.0 0.672 0.696 0.618 -0.000 0.077 -0.000 3/13248 810.0 0.664 0.687 0.611 -0.000 0.076 -0.000 3/13248 820.0 0.656 0.679 0.603 -0.000 0.075 -0.000 3/13248 830.0 0.648 0.671 0.596 -0.000 0.074 -0.000 3/13248 840.0 0.640 0.663 0.589 -0.000 0.073 -0.000 3/13248 850.0 0.633 0.655 0.582 -0.000 0.072 -0.000 3/13248 860.0 0.625 0.647 0.575 -0.000 0.071 -0.000 3/13248 870.0 0.618 0.640 0.568 -0.000 0.071 -0.000 3/13248 880.0 0.611 0.632 0.562 -0.000 0.070 -0.000 3/13248 890.0 0.604 0.625 0.555 -0.000 0.069 -0.000 3/13248 900.0 0.597 0.618 0.549 -0.000 0.068 -0.000 3/13248 910.0 0.591 0.611 0.543 -0.000 0.067 -0.000 3/13248 920.0 0.584 0.605 0.537 -0.000 0.067 -0.000 3/13248 930.0 0.578 0.598 0.531 -0.000 0.066 -0.000 3/13248 940.0 0.572 0.592 0.526 -0.000 0.065 -0.000 3/13248 950.0 0.566 0.586 0.520 -0.000 0.065 -0.000 3/13248 960.0 0.560 0.579 0.515 -0.000 0.064 -0.000 3/13248 970.0 0.554 0.573 0.509 -0.000 0.063 -0.000 3/13248 980.0 0.548 0.568 0.504 -0.000 0.063 -0.000 3/13248 990.0 0.543 0.562 0.499 -0.000 0.062 -0.000 3/13248 1000.0 0.537 0.556 0.494 -0.000 0.061 -0.000 3/13248 Thermal conductivity related properties were written into "kappa-m883.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:37:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|