----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:58:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.199783010010082 0.000000000000000 0.000000000000000 b 0.000000000000000 7.415646129999998 0.000000000000000 c -0.360911512935111 0.000000000000000 8.199339580763613 Atomic positions (fractional): *1 Er 0.03343551577528 0.75000000000000 0.93364558006371 167.259 2 Er 0.96656448422473 0.25000000000000 0.06635441993629 167.259 *3 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 4 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 *5 Ta 0.47028473276302 0.99222704237573 0.19610820335852 180.948 6 Ta 0.47028473276302 0.50777295762427 0.19610820335852 180.948 7 Ta 0.52971526723698 0.00777295762427 0.80389179664148 180.948 8 Ta 0.52971526723698 0.49222704237573 0.80389179664148 180.948 *9 O 0.10446390139732 0.75000000000000 0.47652469264268 15.999 *10 O 0.14287228848361 0.06778601964825 0.28251915033597 15.999 11 O 0.14287228848361 0.43221398035175 0.28251915033597 15.999 *12 O 0.25539770353446 0.04507811230285 0.96670304391379 15.999 13 O 0.25539770353446 0.45492188769715 0.96670304391379 15.999 *14 O 0.32694478563256 0.75000000000000 0.15122553400703 15.999 *15 O 0.32937141765552 0.05841695202041 0.61831791455946 15.999 16 O 0.32937141765552 0.44158304797959 0.61831791455946 15.999 *17 O 0.41914165894857 0.75000000000000 0.81324511885824 15.999 18 O 0.58085834105143 0.25000000000000 0.18675488114176 15.999 19 O 0.67062858234448 0.94158304797959 0.38168208544054 15.999 20 O 0.67062858234448 0.55841695202041 0.38168208544054 15.999 21 O 0.67305521436744 0.25000000000000 0.84877446599297 15.999 22 O 0.74460229646554 0.95492188769715 0.03329695608621 15.999 23 O 0.74460229646554 0.54507811230285 0.03329695608621 15.999 24 O 0.85712771151639 0.93221398035175 0.71748084966403 15.999 25 O 0.85712771151639 0.56778601964825 0.71748084966403 15.999 26 O 0.89553609860268 0.25000000000000 0.52347530735732 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.199783010010082 0.000000000000000 0.000000000000000 b 0.000000000000000 7.415646129999998 0.000000000000000 c -0.360911512935111 0.000000000000000 8.199339580763613 Atomic positions (fractional): *1 Er 0.03343551577528 0.75000000000000 0.93364558006371 167.259 > 1 2 Er 0.96656448422473 0.25000000000000 0.06635441993629 167.259 > 2 *3 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 3 4 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 4 *5 Ta 0.47028473276302 0.99222704237573 0.19610820335852 180.948 > 5 6 Ta 0.47028473276302 0.50777295762427 0.19610820335852 180.948 > 6 7 Ta 0.52971526723698 0.00777295762427 0.80389179664148 180.948 > 7 8 Ta 0.52971526723698 0.49222704237573 0.80389179664148 180.948 > 8 *9 O 0.10446390139732 0.75000000000000 0.47652469264268 15.999 > 9 *10 O 0.14287228848361 0.06778601964825 0.28251915033597 15.999 > 10 11 O 0.14287228848361 0.43221398035175 0.28251915033597 15.999 > 11 *12 O 0.25539770353446 0.04507811230285 0.96670304391379 15.999 > 12 13 O 0.25539770353446 0.45492188769715 0.96670304391379 15.999 > 13 *14 O 0.32694478563256 0.75000000000000 0.15122553400703 15.999 > 14 *15 O 0.32937141765552 0.05841695202041 0.61831791455946 15.999 > 15 16 O 0.32937141765552 0.44158304797959 0.61831791455946 15.999 > 16 *17 O 0.41914165894857 0.75000000000000 0.81324511885824 15.999 > 17 18 O 0.58085834105143 0.25000000000000 0.18675488114176 15.999 > 18 19 O 0.67062858234448 0.94158304797959 0.38168208544054 15.999 > 19 20 O 0.67062858234448 0.55841695202041 0.38168208544054 15.999 > 20 21 O 0.67305521436744 0.25000000000000 0.84877446599297 15.999 > 21 22 O 0.74460229646554 0.95492188769715 0.03329695608621 15.999 > 22 23 O 0.74460229646554 0.54507811230285 0.03329695608621 15.999 > 23 24 O 0.85712771151639 0.93221398035175 0.71748084966403 15.999 > 24 25 O 0.85712771151639 0.56778601964825 0.71748084966403 15.999 > 25 26 O 0.89553609860268 0.25000000000000 0.52347530735732 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.399566020020163 0.000000000000000 0.000000000000000 b 0.000000000000000 14.831292259999996 0.000000000000000 c -0.360911512935111 0.000000000000000 8.199339580763613 Atomic positions (fractional): *1 Er 0.01671775788764 0.37500000000000 0.93364558006371 167.259 > 1 2 Er 0.51671775788764 0.37500000000000 0.93364558006371 167.259 > 1 3 Er 0.01671775788764 0.87500000000000 0.93364558006371 167.259 > 1 4 Er 0.51671775788764 0.87500000000000 0.93364558006371 167.259 > 1 5 Er 0.48328224211236 0.12500000000000 0.06635441993629 167.259 > 2 6 Er 0.98328224211236 0.12500000000000 0.06635441993629 167.259 > 2 7 Er 0.48328224211236 0.62500000000000 0.06635441993629 167.259 > 2 8 Er 0.98328224211236 0.62500000000000 0.06635441993629 167.259 > 2 *9 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 3 10 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 3 11 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 3 12 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 3 13 Ta 0.00000000000000 0.25000000000000 0.50000000000000 180.948 > 4 14 Ta 0.50000000000000 0.25000000000000 0.50000000000000 180.948 > 4 15 Ta 0.00000000000000 0.75000000000000 0.50000000000000 180.948 > 4 16 Ta 0.50000000000000 0.75000000000000 0.50000000000000 180.948 > 4 *17 Ta 0.23514236638151 0.49611352118787 0.19610820335852 180.948 > 5 18 Ta 0.73514236638151 0.49611352118787 0.19610820335852 180.948 > 5 19 Ta 0.23514236638151 0.99611352118787 0.19610820335852 180.948 > 5 20 Ta 0.73514236638151 0.99611352118787 0.19610820335852 180.948 > 5 21 Ta 0.23514236638151 0.25388647881213 0.19610820335852 180.948 > 6 22 Ta 0.73514236638151 0.25388647881213 0.19610820335852 180.948 > 6 23 Ta 0.23514236638151 0.75388647881213 0.19610820335852 180.948 > 6 24 Ta 0.73514236638151 0.75388647881213 0.19610820335852 180.948 > 6 25 Ta 0.26485763361849 0.00388647881213 0.80389179664148 180.948 > 7 26 Ta 0.76485763361849 0.00388647881213 0.80389179664148 180.948 > 7 27 Ta 0.26485763361849 0.50388647881213 0.80389179664148 180.948 > 7 28 Ta 0.76485763361849 0.50388647881213 0.80389179664148 180.948 > 7 29 Ta 0.26485763361849 0.24611352118787 0.80389179664148 180.948 > 8 30 Ta 0.76485763361849 0.24611352118787 0.80389179664148 180.948 > 8 31 Ta 0.26485763361849 0.74611352118787 0.80389179664148 180.948 > 8 32 Ta 0.76485763361849 0.74611352118787 0.80389179664148 180.948 > 8 *33 O 0.05223195069866 0.37500000000000 0.47652469264268 15.999 > 9 34 O 0.55223195069866 0.37500000000000 0.47652469264268 15.999 > 9 35 O 0.05223195069866 0.87500000000000 0.47652469264268 15.999 > 9 36 O 0.55223195069866 0.87500000000000 0.47652469264268 15.999 > 9 *37 O 0.07143614424181 0.03389300982412 0.28251915033597 15.999 > 10 38 O 0.57143614424181 0.03389300982412 0.28251915033597 15.999 > 10 39 O 0.07143614424181 0.53389300982412 0.28251915033597 15.999 > 10 40 O 0.57143614424181 0.53389300982412 0.28251915033597 15.999 > 10 41 O 0.07143614424181 0.21610699017588 0.28251915033597 15.999 > 11 42 O 0.57143614424181 0.21610699017588 0.28251915033597 15.999 > 11 43 O 0.07143614424181 0.71610699017588 0.28251915033597 15.999 > 11 44 O 0.57143614424181 0.71610699017588 0.28251915033597 15.999 > 11 *45 O 0.12769885176723 0.02253905615143 0.96670304391379 15.999 > 12 46 O 0.62769885176723 0.02253905615143 0.96670304391379 15.999 > 12 47 O 0.12769885176723 0.52253905615143 0.96670304391379 15.999 > 12 48 O 0.62769885176723 0.52253905615143 0.96670304391379 15.999 > 12 49 O 0.12769885176723 0.22746094384857 0.96670304391379 15.999 > 13 50 O 0.62769885176723 0.22746094384857 0.96670304391379 15.999 > 13 51 O 0.12769885176723 0.72746094384857 0.96670304391379 15.999 > 13 52 O 0.62769885176723 0.72746094384857 0.96670304391379 15.999 > 13 *53 O 0.16347239281628 0.37500000000000 0.15122553400703 15.999 > 14 54 O 0.66347239281628 0.37500000000000 0.15122553400703 15.999 > 14 55 O 0.16347239281628 0.87500000000000 0.15122553400703 15.999 > 14 56 O 0.66347239281628 0.87500000000000 0.15122553400703 15.999 > 14 *57 O 0.16468570882776 0.02920847601021 0.61831791455946 15.999 > 15 58 O 0.66468570882776 0.02920847601021 0.61831791455946 15.999 > 15 59 O 0.16468570882776 0.52920847601021 0.61831791455946 15.999 > 15 60 O 0.66468570882776 0.52920847601021 0.61831791455946 15.999 > 15 61 O 0.16468570882776 0.22079152398979 0.61831791455946 15.999 > 16 62 O 0.66468570882776 0.22079152398979 0.61831791455946 15.999 > 16 63 O 0.16468570882776 0.72079152398979 0.61831791455946 15.999 > 16 64 O 0.66468570882776 0.72079152398979 0.61831791455946 15.999 > 16 *65 O 0.20957082947429 0.37500000000000 0.81324511885824 15.999 > 17 66 O 0.70957082947429 0.37500000000000 0.81324511885824 15.999 > 17 67 O 0.20957082947429 0.87500000000000 0.81324511885824 15.999 > 17 68 O 0.70957082947429 0.87500000000000 0.81324511885824 15.999 > 17 69 O 0.29042917052571 0.12500000000000 0.18675488114176 15.999 > 18 70 O 0.79042917052571 0.12500000000000 0.18675488114176 15.999 > 18 71 O 0.29042917052571 0.62500000000000 0.18675488114176 15.999 > 18 72 O 0.79042917052571 0.62500000000000 0.18675488114176 15.999 > 18 73 O 0.33531429117224 0.47079152398979 0.38168208544054 15.999 > 19 74 O 0.83531429117224 0.47079152398979 0.38168208544054 15.999 > 19 75 O 0.33531429117224 0.97079152398979 0.38168208544054 15.999 > 19 76 O 0.83531429117224 0.97079152398979 0.38168208544054 15.999 > 19 77 O 0.33531429117224 0.27920847601021 0.38168208544054 15.999 > 20 78 O 0.83531429117224 0.27920847601021 0.38168208544054 15.999 > 20 79 O 0.33531429117224 0.77920847601021 0.38168208544054 15.999 > 20 80 O 0.83531429117224 0.77920847601021 0.38168208544054 15.999 > 20 81 O 0.33652760718372 0.12500000000000 0.84877446599297 15.999 > 21 82 O 0.83652760718372 0.12500000000000 0.84877446599297 15.999 > 21 83 O 0.33652760718372 0.62500000000000 0.84877446599297 15.999 > 21 84 O 0.83652760718372 0.62500000000000 0.84877446599297 15.999 > 21 85 O 0.37230114823277 0.47746094384857 0.03329695608621 15.999 > 22 86 O 0.87230114823277 0.47746094384857 0.03329695608621 15.999 > 22 87 O 0.37230114823277 0.97746094384857 0.03329695608621 15.999 > 22 88 O 0.87230114823277 0.97746094384857 0.03329695608621 15.999 > 22 89 O 0.37230114823277 0.27253905615143 0.03329695608621 15.999 > 23 90 O 0.87230114823277 0.27253905615143 0.03329695608621 15.999 > 23 91 O 0.37230114823277 0.77253905615143 0.03329695608621 15.999 > 23 92 O 0.87230114823277 0.77253905615143 0.03329695608621 15.999 > 23 93 O 0.42856385575819 0.46610699017588 0.71748084966403 15.999 > 24 94 O 0.92856385575819 0.46610699017588 0.71748084966403 15.999 > 24 95 O 0.42856385575819 0.96610699017588 0.71748084966403 15.999 > 24 96 O 0.92856385575819 0.96610699017588 0.71748084966403 15.999 > 24 97 O 0.42856385575819 0.28389300982412 0.71748084966403 15.999 > 25 98 O 0.92856385575819 0.28389300982412 0.71748084966403 15.999 > 25 99 O 0.42856385575819 0.78389300982412 0.71748084966403 15.999 > 25 100 O 0.92856385575819 0.78389300982412 0.71748084966403 15.999 > 25 101 O 0.44776804930134 0.12500000000000 0.52347530735732 15.999 > 26 102 O 0.94776804930134 0.12500000000000 0.52347530735732 15.999 > 26 103 O 0.44776804930134 0.62500000000000 0.52347530735732 15.999 > 26 104 O 0.94776804930134 0.62500000000000 0.52347530735732 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2628497 0.0000000 0.1035442 0.0000000 5.7276821 0.0000000 0.1035392 0.0000000 5.2541397 -------------------------- Born effective charges -------------------------- 1 Er 4.9039956 0.0000000 0.5161986 0.0000000 3.8370002 0.0000000 0.2532011 0.0000000 3.5986558 2 Er 4.9039956 0.0000000 0.5161986 0.0000000 3.8370002 0.0000000 0.2532011 0.0000000 3.5986558 3 Ta 7.4111505 1.5712015 -0.9823869 -1.7373987 9.3261547 0.3471235 1.7591077 0.0252699 7.9652546 4 Ta 7.4111505 -1.5712015 -0.9823869 1.7373987 9.3261547 -0.3471235 1.7591077 -0.0252699 7.9652546 5 Ta 6.2545738 -0.2907317 0.4682049 1.1430741 7.1110742 0.4133982 -0.6002224 0.0967992 6.6520973 6 Ta 6.2545738 0.2907317 0.4682049 -1.1430741 7.1110742 -0.4133982 -0.6002224 -0.0967992 6.6520973 7 Ta 6.2545738 -0.2907317 0.4682049 1.1430741 7.1110742 0.4133982 -0.6002224 0.0967992 6.6520973 8 Ta 6.2545738 0.2907317 0.4682049 -1.1430741 7.1110742 -0.4133982 -0.6002224 -0.0967992 6.6520973 9 O -1.4136760 0.0000000 0.2354224 0.0000000 -7.1256663 0.0000000 -0.1403084 0.0000000 -1.3548590 10 O -3.5495576 0.2795438 1.6851312 0.4908569 -1.7282094 0.3560008 1.4756406 0.3689255 -3.3908119 11 O -3.5495576 -0.2795438 1.6851312 -0.4908569 -1.7282094 -0.3560008 1.4756406 -0.3689255 -3.3908119 12 O -2.7863065 0.2899129 0.3574167 0.3046655 -2.0579624 -0.3140284 0.7208121 -0.2389780 -3.2465330 13 O -2.7863065 -0.2899129 0.3574167 -0.3046655 -2.0579624 0.3140284 0.7208121 0.2389780 -3.2465330 14 O -1.7971438 0.0000000 -0.5401724 0.0000000 -5.0712015 0.0000000 -0.5458320 0.0000000 -1.7777458 15 O -3.4659738 -0.1144971 -2.2755830 0.0078493 -1.2338264 0.1187363 -2.5087897 0.0856959 -3.5707752 16 O -3.4659738 0.1144971 -2.2755830 -0.0078493 -1.2338264 -0.1187363 -2.5087897 -0.0856959 -3.5707752 17 O -2.0097982 0.0000000 0.3005988 0.0000000 -5.1484390 0.0000000 0.4989502 0.0000000 -1.3192598 18 O -2.0097982 0.0000000 0.3005988 0.0000000 -5.1484390 0.0000000 0.4989502 0.0000000 -1.3192598 19 O -3.4659738 -0.1144971 -2.2755830 0.0078493 -1.2338264 0.1187363 -2.5087897 0.0856959 -3.5707752 20 O -3.4659738 0.1144971 -2.2755830 -0.0078493 -1.2338264 -0.1187363 -2.5087897 -0.0856959 -3.5707752 21 O -1.7971438 0.0000000 -0.5401724 0.0000000 -5.0712015 0.0000000 -0.5458320 0.0000000 -1.7777458 22 O -2.7863065 0.2899129 0.3574167 0.3046655 -2.0579624 -0.3140284 0.7208121 -0.2389780 -3.2465330 23 O -2.7863065 -0.2899129 0.3574167 -0.3046655 -2.0579624 0.3140284 0.7208121 0.2389780 -3.2465330 24 O -3.5495576 0.2795438 1.6851312 0.4908569 -1.7282094 0.3560008 1.4756406 0.3689255 -3.3908119 25 O -3.5495576 -0.2795438 1.6851312 -0.4908569 -1.7282094 -0.3560008 1.4756406 -0.3689255 -3.3908119 26 O -1.4136760 0.0000000 0.2354224 0.0000000 -7.1256663 0.0000000 -0.1403084 0.0000000 -1.3548590 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3184 Number of blocks in projector: 3184 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 139 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 139 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 394 Use standard eigh solver. Tree of FC basis block matrices: - (3184, 3120), data: False |-- (394, 385), data: True |-- (394, 385), data: True |-- (394, 385), data: True |-- (646, 636), data: False |-- (646, 7), data: (646, 17) @ (17, 7) |-- (146, 139), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (646, 636), data: False |-- (646, 7), data: (646, 17) @ (17, 7) |-- (146, 139), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 693), data: False |-- (710, 9), data: (710, 26) @ (26, 9) |-- (210, 201), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.827 Solver_block: 200 / 800 - Time: 0.752 Solver_block: 300 / 800 - Time: 0.752 Solver_block: 400 / 800 - Time: 0.752 Solver_block: 500 / 800 - Time: 0.735 Solver_block: 600 / 800 - Time: 0.739 Solver_block: 700 / 800 - Time: 0.749 Solver_block: 800 / 800 - Time: 0.749 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.188 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3184 Number of blocks in projector: 3184 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 139 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 646 / 646 (1) 139 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 394 Use standard eigh solver. Tree of FC basis block matrices: - (3184, 3120), data: False |-- (394, 385), data: True |-- (394, 385), data: True |-- (394, 385), data: True |-- (646, 636), data: False |-- (646, 7), data: (646, 17) @ (17, 7) |-- (146, 139), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (646, 636), data: False |-- (646, 7), data: (646, 17) @ (17, 7) |-- (146, 139), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 693), data: False |-- (710, 9), data: (710, 26) @ (26, 9) |-- (210, 201), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:59:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:59:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.199783010010082 0.000000000000000 0.000000000000000 b 0.000000000000000 7.415646129999998 0.000000000000000 c -0.360911512935111 0.000000000000000 8.199339580763613 Atomic positions (fractional): 1 Er 0.03343551577528 0.75000000000000 0.93364558006371 167.259 2 Er 0.96656448422473 0.25000000000000 0.06635441993629 167.259 3 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 4 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 5 Ta 0.47028473276302 0.99222704237573 0.19610820335852 180.948 6 Ta 0.47028473276302 0.50777295762427 0.19610820335852 180.948 7 Ta 0.52971526723698 0.00777295762427 0.80389179664148 180.948 8 Ta 0.52971526723698 0.49222704237573 0.80389179664148 180.948 9 O 0.10446390139732 0.75000000000000 0.47652469264268 15.999 10 O 0.14287228848361 0.06778601964825 0.28251915033597 15.999 11 O 0.14287228848361 0.43221398035175 0.28251915033597 15.999 12 O 0.25539770353446 0.04507811230285 0.96670304391379 15.999 13 O 0.25539770353446 0.45492188769715 0.96670304391379 15.999 14 O 0.32694478563256 0.75000000000000 0.15122553400703 15.999 15 O 0.32937141765552 0.05841695202041 0.61831791455946 15.999 16 O 0.32937141765552 0.44158304797959 0.61831791455946 15.999 17 O 0.41914165894857 0.75000000000000 0.81324511885824 15.999 18 O 0.58085834105143 0.25000000000000 0.18675488114176 15.999 19 O 0.67062858234448 0.94158304797959 0.38168208544054 15.999 20 O 0.67062858234448 0.55841695202041 0.38168208544054 15.999 21 O 0.67305521436744 0.25000000000000 0.84877446599297 15.999 22 O 0.74460229646554 0.95492188769715 0.03329695608621 15.999 23 O 0.74460229646554 0.54507811230285 0.03329695608621 15.999 24 O 0.85712771151639 0.93221398035175 0.71748084966403 15.999 25 O 0.85712771151639 0.56778601964825 0.71748084966403 15.999 26 O 0.89553609860268 0.25000000000000 0.52347530735732 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.399566020020163 0.000000000000000 0.000000000000000 b 0.000000000000000 14.831292259999996 0.000000000000000 c -0.360911512935111 0.000000000000000 8.199339580763613 Atomic positions (fractional): 1 Er 0.01671775788764 0.37500000000000 0.93364558006371 167.259 > 1 2 Er 0.51671775788764 0.37500000000000 0.93364558006371 167.259 > 1 3 Er 0.01671775788764 0.87500000000000 0.93364558006371 167.259 > 1 4 Er 0.51671775788764 0.87500000000000 0.93364558006371 167.259 > 1 5 Er 0.48328224211236 0.12500000000000 0.06635441993629 167.259 > 5 6 Er 0.98328224211236 0.12500000000000 0.06635441993629 167.259 > 5 7 Er 0.48328224211236 0.62500000000000 0.06635441993629 167.259 > 5 8 Er 0.98328224211236 0.62500000000000 0.06635441993629 167.259 > 5 9 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 9 10 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 9 11 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 9 12 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 9 13 Ta 0.00000000000000 0.25000000000000 0.50000000000000 180.948 > 13 14 Ta 0.50000000000000 0.25000000000000 0.50000000000000 180.948 > 13 15 Ta 0.00000000000000 0.75000000000000 0.50000000000000 180.948 > 13 16 Ta 0.50000000000000 0.75000000000000 0.50000000000000 180.948 > 13 17 Ta 0.23514236638151 0.49611352118787 0.19610820335852 180.948 > 17 18 Ta 0.73514236638151 0.49611352118787 0.19610820335852 180.948 > 17 19 Ta 0.23514236638151 0.99611352118787 0.19610820335852 180.948 > 17 20 Ta 0.73514236638151 0.99611352118787 0.19610820335852 180.948 > 17 21 Ta 0.23514236638151 0.25388647881213 0.19610820335852 180.948 > 21 22 Ta 0.73514236638151 0.25388647881213 0.19610820335852 180.948 > 21 23 Ta 0.23514236638151 0.75388647881213 0.19610820335852 180.948 > 21 24 Ta 0.73514236638151 0.75388647881213 0.19610820335852 180.948 > 21 25 Ta 0.26485763361849 0.00388647881213 0.80389179664148 180.948 > 25 26 Ta 0.76485763361849 0.00388647881213 0.80389179664148 180.948 > 25 27 Ta 0.26485763361849 0.50388647881213 0.80389179664148 180.948 > 25 28 Ta 0.76485763361849 0.50388647881213 0.80389179664148 180.948 > 25 29 Ta 0.26485763361849 0.24611352118787 0.80389179664148 180.948 > 29 30 Ta 0.76485763361849 0.24611352118787 0.80389179664148 180.948 > 29 31 Ta 0.26485763361849 0.74611352118787 0.80389179664148 180.948 > 29 32 Ta 0.76485763361849 0.74611352118787 0.80389179664148 180.948 > 29 33 O 0.05223195069866 0.37500000000000 0.47652469264268 15.999 > 33 34 O 0.55223195069866 0.37500000000000 0.47652469264268 15.999 > 33 35 O 0.05223195069866 0.87500000000000 0.47652469264268 15.999 > 33 36 O 0.55223195069866 0.87500000000000 0.47652469264268 15.999 > 33 37 O 0.07143614424181 0.03389300982412 0.28251915033597 15.999 > 37 38 O 0.57143614424181 0.03389300982412 0.28251915033597 15.999 > 37 39 O 0.07143614424181 0.53389300982412 0.28251915033597 15.999 > 37 40 O 0.57143614424181 0.53389300982412 0.28251915033597 15.999 > 37 41 O 0.07143614424181 0.21610699017588 0.28251915033597 15.999 > 41 42 O 0.57143614424181 0.21610699017588 0.28251915033597 15.999 > 41 43 O 0.07143614424181 0.71610699017588 0.28251915033597 15.999 > 41 44 O 0.57143614424181 0.71610699017588 0.28251915033597 15.999 > 41 45 O 0.12769885176723 0.02253905615143 0.96670304391379 15.999 > 45 46 O 0.62769885176723 0.02253905615143 0.96670304391379 15.999 > 45 47 O 0.12769885176723 0.52253905615143 0.96670304391379 15.999 > 45 48 O 0.62769885176723 0.52253905615143 0.96670304391379 15.999 > 45 49 O 0.12769885176723 0.22746094384857 0.96670304391379 15.999 > 49 50 O 0.62769885176723 0.22746094384857 0.96670304391379 15.999 > 49 51 O 0.12769885176723 0.72746094384857 0.96670304391379 15.999 > 49 52 O 0.62769885176723 0.72746094384857 0.96670304391379 15.999 > 49 53 O 0.16347239281628 0.37500000000000 0.15122553400703 15.999 > 53 54 O 0.66347239281628 0.37500000000000 0.15122553400703 15.999 > 53 55 O 0.16347239281628 0.87500000000000 0.15122553400703 15.999 > 53 56 O 0.66347239281628 0.87500000000000 0.15122553400703 15.999 > 53 57 O 0.16468570882776 0.02920847601021 0.61831791455946 15.999 > 57 58 O 0.66468570882776 0.02920847601021 0.61831791455946 15.999 > 57 59 O 0.16468570882776 0.52920847601021 0.61831791455946 15.999 > 57 60 O 0.66468570882776 0.52920847601021 0.61831791455946 15.999 > 57 61 O 0.16468570882776 0.22079152398979 0.61831791455946 15.999 > 61 62 O 0.66468570882776 0.22079152398979 0.61831791455946 15.999 > 61 63 O 0.16468570882776 0.72079152398979 0.61831791455946 15.999 > 61 64 O 0.66468570882776 0.72079152398979 0.61831791455946 15.999 > 61 65 O 0.20957082947429 0.37500000000000 0.81324511885824 15.999 > 65 66 O 0.70957082947429 0.37500000000000 0.81324511885824 15.999 > 65 67 O 0.20957082947429 0.87500000000000 0.81324511885824 15.999 > 65 68 O 0.70957082947429 0.87500000000000 0.81324511885824 15.999 > 65 69 O 0.29042917052571 0.12500000000000 0.18675488114176 15.999 > 69 70 O 0.79042917052571 0.12500000000000 0.18675488114176 15.999 > 69 71 O 0.29042917052571 0.62500000000000 0.18675488114176 15.999 > 69 72 O 0.79042917052571 0.62500000000000 0.18675488114176 15.999 > 69 73 O 0.33531429117224 0.47079152398979 0.38168208544054 15.999 > 73 74 O 0.83531429117224 0.47079152398979 0.38168208544054 15.999 > 73 75 O 0.33531429117224 0.97079152398979 0.38168208544054 15.999 > 73 76 O 0.83531429117224 0.97079152398979 0.38168208544054 15.999 > 73 77 O 0.33531429117224 0.27920847601021 0.38168208544054 15.999 > 77 78 O 0.83531429117224 0.27920847601021 0.38168208544054 15.999 > 77 79 O 0.33531429117224 0.77920847601021 0.38168208544054 15.999 > 77 80 O 0.83531429117224 0.77920847601021 0.38168208544054 15.999 > 77 81 O 0.33652760718372 0.12500000000000 0.84877446599297 15.999 > 81 82 O 0.83652760718372 0.12500000000000 0.84877446599297 15.999 > 81 83 O 0.33652760718372 0.62500000000000 0.84877446599297 15.999 > 81 84 O 0.83652760718372 0.62500000000000 0.84877446599297 15.999 > 81 85 O 0.37230114823277 0.47746094384857 0.03329695608621 15.999 > 85 86 O 0.87230114823277 0.47746094384857 0.03329695608621 15.999 > 85 87 O 0.37230114823277 0.97746094384857 0.03329695608621 15.999 > 85 88 O 0.87230114823277 0.97746094384857 0.03329695608621 15.999 > 85 89 O 0.37230114823277 0.27253905615143 0.03329695608621 15.999 > 89 90 O 0.87230114823277 0.27253905615143 0.03329695608621 15.999 > 89 91 O 0.37230114823277 0.77253905615143 0.03329695608621 15.999 > 89 92 O 0.87230114823277 0.77253905615143 0.03329695608621 15.999 > 89 93 O 0.42856385575819 0.46610699017588 0.71748084966403 15.999 > 93 94 O 0.92856385575819 0.46610699017588 0.71748084966403 15.999 > 93 95 O 0.42856385575819 0.96610699017588 0.71748084966403 15.999 > 93 96 O 0.92856385575819 0.96610699017588 0.71748084966403 15.999 > 93 97 O 0.42856385575819 0.28389300982412 0.71748084966403 15.999 > 97 98 O 0.92856385575819 0.28389300982412 0.71748084966403 15.999 > 97 99 O 0.42856385575819 0.78389300982412 0.71748084966403 15.999 > 97 100 O 0.92856385575819 0.78389300982412 0.71748084966403 15.999 > 97 101 O 0.44776804930134 0.12500000000000 0.52347530735732 15.999 > 101 102 O 0.94776804930134 0.12500000000000 0.52347530735732 15.999 > 101 103 O 0.44776804930134 0.62500000000000 0.52347530735732 15.999 > 101 104 O 0.94776804930134 0.62500000000000 0.52347530735732 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2628497 0.0000000 0.1035442 0.0000000 5.7276821 0.0000000 0.1035392 0.0000000 5.2541397 -------------------------- Born effective charges -------------------------- 1 Er 4.9039956 0.0000000 0.5161986 0.0000000 3.8370002 0.0000000 0.2532011 0.0000000 3.5986558 2 Er 4.9039956 0.0000000 0.5161986 0.0000000 3.8370002 0.0000000 0.2532011 0.0000000 3.5986558 3 Ta 7.4111505 1.5712015 -0.9823869 -1.7373987 9.3261547 0.3471235 1.7591077 0.0252699 7.9652546 4 Ta 7.4111505 -1.5712015 -0.9823869 1.7373987 9.3261547 -0.3471235 1.7591077 -0.0252699 7.9652546 5 Ta 6.2545738 -0.2907317 0.4682049 1.1430741 7.1110742 0.4133982 -0.6002224 0.0967992 6.6520973 6 Ta 6.2545738 0.2907317 0.4682049 -1.1430741 7.1110742 -0.4133982 -0.6002224 -0.0967992 6.6520973 7 Ta 6.2545738 -0.2907317 0.4682049 1.1430741 7.1110742 0.4133982 -0.6002224 0.0967992 6.6520973 8 Ta 6.2545738 0.2907317 0.4682049 -1.1430741 7.1110742 -0.4133982 -0.6002224 -0.0967992 6.6520973 9 O -1.4136760 0.0000000 0.2354224 0.0000000 -7.1256663 0.0000000 -0.1403084 0.0000000 -1.3548590 10 O -3.5495576 0.2795438 1.6851312 0.4908569 -1.7282094 0.3560008 1.4756406 0.3689255 -3.3908119 11 O -3.5495576 -0.2795438 1.6851312 -0.4908569 -1.7282094 -0.3560008 1.4756406 -0.3689255 -3.3908119 12 O -2.7863065 0.2899129 0.3574167 0.3046655 -2.0579624 -0.3140284 0.7208121 -0.2389780 -3.2465330 13 O -2.7863065 -0.2899129 0.3574167 -0.3046655 -2.0579624 0.3140284 0.7208121 0.2389780 -3.2465330 14 O -1.7971438 0.0000000 -0.5401724 0.0000000 -5.0712015 0.0000000 -0.5458320 0.0000000 -1.7777458 15 O -3.4659738 -0.1144971 -2.2755830 0.0078493 -1.2338264 0.1187363 -2.5087897 0.0856959 -3.5707752 16 O -3.4659738 0.1144971 -2.2755830 -0.0078493 -1.2338264 -0.1187363 -2.5087897 -0.0856959 -3.5707752 17 O -2.0097982 0.0000000 0.3005988 0.0000000 -5.1484390 0.0000000 0.4989502 0.0000000 -1.3192598 18 O -2.0097982 0.0000000 0.3005988 0.0000000 -5.1484390 0.0000000 0.4989502 0.0000000 -1.3192598 19 O -3.4659738 -0.1144971 -2.2755830 0.0078493 -1.2338264 0.1187363 -2.5087897 0.0856959 -3.5707752 20 O -3.4659738 0.1144971 -2.2755830 -0.0078493 -1.2338264 -0.1187363 -2.5087897 -0.0856959 -3.5707752 21 O -1.7971438 0.0000000 -0.5401724 0.0000000 -5.0712015 0.0000000 -0.5458320 0.0000000 -1.7777458 22 O -2.7863065 0.2899129 0.3574167 0.3046655 -2.0579624 -0.3140284 0.7208121 -0.2389780 -3.2465330 23 O -2.7863065 -0.2899129 0.3574167 -0.3046655 -2.0579624 0.3140284 0.7208121 0.2389780 -3.2465330 24 O -3.5495576 0.2795438 1.6851312 0.4908569 -1.7282094 0.3560008 1.4756406 0.3689255 -3.3908119 25 O -3.5495576 -0.2795438 1.6851312 -0.4908569 -1.7282094 -0.3560008 1.4756406 -0.3689255 -3.3908119 26 O -1.4136760 0.0000000 0.2354224 0.0000000 -7.1256663 0.0000000 -0.1403084 0.0000000 -1.3548590 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000029 (xxx) 0.00000029 (xxx) 0.00000029 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000006 (xy) -0.00000006 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:59:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:59:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.199783010010082 0.000000000000000 0.000000000000000 b 0.000000000000000 7.415646129999998 0.000000000000000 c -0.360911512935111 0.000000000000000 8.199339580763613 Atomic positions (fractional): 1 Er 0.03343551577528 0.75000000000000 0.93364558006371 167.259 2 Er 0.96656448422473 0.25000000000000 0.06635441993629 167.259 3 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 4 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 5 Ta 0.47028473276302 0.99222704237573 0.19610820335852 180.948 6 Ta 0.47028473276302 0.50777295762427 0.19610820335852 180.948 7 Ta 0.52971526723698 0.00777295762427 0.80389179664148 180.948 8 Ta 0.52971526723698 0.49222704237573 0.80389179664148 180.948 9 O 0.10446390139732 0.75000000000000 0.47652469264268 15.999 10 O 0.14287228848361 0.06778601964825 0.28251915033597 15.999 11 O 0.14287228848361 0.43221398035175 0.28251915033597 15.999 12 O 0.25539770353446 0.04507811230285 0.96670304391379 15.999 13 O 0.25539770353446 0.45492188769715 0.96670304391379 15.999 14 O 0.32694478563256 0.75000000000000 0.15122553400703 15.999 15 O 0.32937141765552 0.05841695202041 0.61831791455946 15.999 16 O 0.32937141765552 0.44158304797959 0.61831791455946 15.999 17 O 0.41914165894857 0.75000000000000 0.81324511885824 15.999 18 O 0.58085834105143 0.25000000000000 0.18675488114176 15.999 19 O 0.67062858234448 0.94158304797959 0.38168208544054 15.999 20 O 0.67062858234448 0.55841695202041 0.38168208544054 15.999 21 O 0.67305521436744 0.25000000000000 0.84877446599297 15.999 22 O 0.74460229646554 0.95492188769715 0.03329695608621 15.999 23 O 0.74460229646554 0.54507811230285 0.03329695608621 15.999 24 O 0.85712771151639 0.93221398035175 0.71748084966403 15.999 25 O 0.85712771151639 0.56778601964825 0.71748084966403 15.999 26 O 0.89553609860268 0.25000000000000 0.52347530735732 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.399566020020163 0.000000000000000 0.000000000000000 b 0.000000000000000 14.831292259999996 0.000000000000000 c -0.360911512935111 0.000000000000000 8.199339580763613 Atomic positions (fractional): 1 Er 0.01671775788764 0.37500000000000 0.93364558006371 167.259 > 1 2 Er 0.51671775788764 0.37500000000000 0.93364558006371 167.259 > 1 3 Er 0.01671775788764 0.87500000000000 0.93364558006371 167.259 > 1 4 Er 0.51671775788764 0.87500000000000 0.93364558006371 167.259 > 1 5 Er 0.48328224211236 0.12500000000000 0.06635441993629 167.259 > 5 6 Er 0.98328224211236 0.12500000000000 0.06635441993629 167.259 > 5 7 Er 0.48328224211236 0.62500000000000 0.06635441993629 167.259 > 5 8 Er 0.98328224211236 0.62500000000000 0.06635441993629 167.259 > 5 9 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 9 10 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 9 11 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 9 12 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 9 13 Ta 0.00000000000000 0.25000000000000 0.50000000000000 180.948 > 13 14 Ta 0.50000000000000 0.25000000000000 0.50000000000000 180.948 > 13 15 Ta 0.00000000000000 0.75000000000000 0.50000000000000 180.948 > 13 16 Ta 0.50000000000000 0.75000000000000 0.50000000000000 180.948 > 13 17 Ta 0.23514236638151 0.49611352118787 0.19610820335852 180.948 > 17 18 Ta 0.73514236638151 0.49611352118787 0.19610820335852 180.948 > 17 19 Ta 0.23514236638151 0.99611352118787 0.19610820335852 180.948 > 17 20 Ta 0.73514236638151 0.99611352118787 0.19610820335852 180.948 > 17 21 Ta 0.23514236638151 0.25388647881213 0.19610820335852 180.948 > 21 22 Ta 0.73514236638151 0.25388647881213 0.19610820335852 180.948 > 21 23 Ta 0.23514236638151 0.75388647881213 0.19610820335852 180.948 > 21 24 Ta 0.73514236638151 0.75388647881213 0.19610820335852 180.948 > 21 25 Ta 0.26485763361849 0.00388647881213 0.80389179664148 180.948 > 25 26 Ta 0.76485763361849 0.00388647881213 0.80389179664148 180.948 > 25 27 Ta 0.26485763361849 0.50388647881213 0.80389179664148 180.948 > 25 28 Ta 0.76485763361849 0.50388647881213 0.80389179664148 180.948 > 25 29 Ta 0.26485763361849 0.24611352118787 0.80389179664148 180.948 > 29 30 Ta 0.76485763361849 0.24611352118787 0.80389179664148 180.948 > 29 31 Ta 0.26485763361849 0.74611352118787 0.80389179664148 180.948 > 29 32 Ta 0.76485763361849 0.74611352118787 0.80389179664148 180.948 > 29 33 O 0.05223195069866 0.37500000000000 0.47652469264268 15.999 > 33 34 O 0.55223195069866 0.37500000000000 0.47652469264268 15.999 > 33 35 O 0.05223195069866 0.87500000000000 0.47652469264268 15.999 > 33 36 O 0.55223195069866 0.87500000000000 0.47652469264268 15.999 > 33 37 O 0.07143614424181 0.03389300982412 0.28251915033597 15.999 > 37 38 O 0.57143614424181 0.03389300982412 0.28251915033597 15.999 > 37 39 O 0.07143614424181 0.53389300982412 0.28251915033597 15.999 > 37 40 O 0.57143614424181 0.53389300982412 0.28251915033597 15.999 > 37 41 O 0.07143614424181 0.21610699017588 0.28251915033597 15.999 > 41 42 O 0.57143614424181 0.21610699017588 0.28251915033597 15.999 > 41 43 O 0.07143614424181 0.71610699017588 0.28251915033597 15.999 > 41 44 O 0.57143614424181 0.71610699017588 0.28251915033597 15.999 > 41 45 O 0.12769885176723 0.02253905615143 0.96670304391379 15.999 > 45 46 O 0.62769885176723 0.02253905615143 0.96670304391379 15.999 > 45 47 O 0.12769885176723 0.52253905615143 0.96670304391379 15.999 > 45 48 O 0.62769885176723 0.52253905615143 0.96670304391379 15.999 > 45 49 O 0.12769885176723 0.22746094384857 0.96670304391379 15.999 > 49 50 O 0.62769885176723 0.22746094384857 0.96670304391379 15.999 > 49 51 O 0.12769885176723 0.72746094384857 0.96670304391379 15.999 > 49 52 O 0.62769885176723 0.72746094384857 0.96670304391379 15.999 > 49 53 O 0.16347239281628 0.37500000000000 0.15122553400703 15.999 > 53 54 O 0.66347239281628 0.37500000000000 0.15122553400703 15.999 > 53 55 O 0.16347239281628 0.87500000000000 0.15122553400703 15.999 > 53 56 O 0.66347239281628 0.87500000000000 0.15122553400703 15.999 > 53 57 O 0.16468570882776 0.02920847601021 0.61831791455946 15.999 > 57 58 O 0.66468570882776 0.02920847601021 0.61831791455946 15.999 > 57 59 O 0.16468570882776 0.52920847601021 0.61831791455946 15.999 > 57 60 O 0.66468570882776 0.52920847601021 0.61831791455946 15.999 > 57 61 O 0.16468570882776 0.22079152398979 0.61831791455946 15.999 > 61 62 O 0.66468570882776 0.22079152398979 0.61831791455946 15.999 > 61 63 O 0.16468570882776 0.72079152398979 0.61831791455946 15.999 > 61 64 O 0.66468570882776 0.72079152398979 0.61831791455946 15.999 > 61 65 O 0.20957082947429 0.37500000000000 0.81324511885824 15.999 > 65 66 O 0.70957082947429 0.37500000000000 0.81324511885824 15.999 > 65 67 O 0.20957082947429 0.87500000000000 0.81324511885824 15.999 > 65 68 O 0.70957082947429 0.87500000000000 0.81324511885824 15.999 > 65 69 O 0.29042917052571 0.12500000000000 0.18675488114176 15.999 > 69 70 O 0.79042917052571 0.12500000000000 0.18675488114176 15.999 > 69 71 O 0.29042917052571 0.62500000000000 0.18675488114176 15.999 > 69 72 O 0.79042917052571 0.62500000000000 0.18675488114176 15.999 > 69 73 O 0.33531429117224 0.47079152398979 0.38168208544054 15.999 > 73 74 O 0.83531429117224 0.47079152398979 0.38168208544054 15.999 > 73 75 O 0.33531429117224 0.97079152398979 0.38168208544054 15.999 > 73 76 O 0.83531429117224 0.97079152398979 0.38168208544054 15.999 > 73 77 O 0.33531429117224 0.27920847601021 0.38168208544054 15.999 > 77 78 O 0.83531429117224 0.27920847601021 0.38168208544054 15.999 > 77 79 O 0.33531429117224 0.77920847601021 0.38168208544054 15.999 > 77 80 O 0.83531429117224 0.77920847601021 0.38168208544054 15.999 > 77 81 O 0.33652760718372 0.12500000000000 0.84877446599297 15.999 > 81 82 O 0.83652760718372 0.12500000000000 0.84877446599297 15.999 > 81 83 O 0.33652760718372 0.62500000000000 0.84877446599297 15.999 > 81 84 O 0.83652760718372 0.62500000000000 0.84877446599297 15.999 > 81 85 O 0.37230114823277 0.47746094384857 0.03329695608621 15.999 > 85 86 O 0.87230114823277 0.47746094384857 0.03329695608621 15.999 > 85 87 O 0.37230114823277 0.97746094384857 0.03329695608621 15.999 > 85 88 O 0.87230114823277 0.97746094384857 0.03329695608621 15.999 > 85 89 O 0.37230114823277 0.27253905615143 0.03329695608621 15.999 > 89 90 O 0.87230114823277 0.27253905615143 0.03329695608621 15.999 > 89 91 O 0.37230114823277 0.77253905615143 0.03329695608621 15.999 > 89 92 O 0.87230114823277 0.77253905615143 0.03329695608621 15.999 > 89 93 O 0.42856385575819 0.46610699017588 0.71748084966403 15.999 > 93 94 O 0.92856385575819 0.46610699017588 0.71748084966403 15.999 > 93 95 O 0.42856385575819 0.96610699017588 0.71748084966403 15.999 > 93 96 O 0.92856385575819 0.96610699017588 0.71748084966403 15.999 > 93 97 O 0.42856385575819 0.28389300982412 0.71748084966403 15.999 > 97 98 O 0.92856385575819 0.28389300982412 0.71748084966403 15.999 > 97 99 O 0.42856385575819 0.78389300982412 0.71748084966403 15.999 > 97 100 O 0.92856385575819 0.78389300982412 0.71748084966403 15.999 > 97 101 O 0.44776804930134 0.12500000000000 0.52347530735732 15.999 > 101 102 O 0.94776804930134 0.12500000000000 0.52347530735732 15.999 > 101 103 O 0.44776804930134 0.62500000000000 0.52347530735732 15.999 > 101 104 O 0.94776804930134 0.62500000000000 0.52347530735732 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2628497 0.0000000 0.1035442 0.0000000 5.7276821 0.0000000 0.1035392 0.0000000 5.2541397 -------------------------- Born effective charges -------------------------- 1 Er 4.9039956 0.0000000 0.5161986 0.0000000 3.8370002 0.0000000 0.2532011 0.0000000 3.5986558 2 Er 4.9039956 0.0000000 0.5161986 0.0000000 3.8370002 0.0000000 0.2532011 0.0000000 3.5986558 3 Ta 7.4111505 1.5712015 -0.9823869 -1.7373987 9.3261547 0.3471235 1.7591077 0.0252699 7.9652546 4 Ta 7.4111505 -1.5712015 -0.9823869 1.7373987 9.3261547 -0.3471235 1.7591077 -0.0252699 7.9652546 5 Ta 6.2545738 -0.2907317 0.4682049 1.1430741 7.1110742 0.4133982 -0.6002224 0.0967992 6.6520973 6 Ta 6.2545738 0.2907317 0.4682049 -1.1430741 7.1110742 -0.4133982 -0.6002224 -0.0967992 6.6520973 7 Ta 6.2545738 -0.2907317 0.4682049 1.1430741 7.1110742 0.4133982 -0.6002224 0.0967992 6.6520973 8 Ta 6.2545738 0.2907317 0.4682049 -1.1430741 7.1110742 -0.4133982 -0.6002224 -0.0967992 6.6520973 9 O -1.4136760 0.0000000 0.2354224 0.0000000 -7.1256663 0.0000000 -0.1403084 0.0000000 -1.3548590 10 O -3.5495576 0.2795438 1.6851312 0.4908569 -1.7282094 0.3560008 1.4756406 0.3689255 -3.3908119 11 O -3.5495576 -0.2795438 1.6851312 -0.4908569 -1.7282094 -0.3560008 1.4756406 -0.3689255 -3.3908119 12 O -2.7863065 0.2899129 0.3574167 0.3046655 -2.0579624 -0.3140284 0.7208121 -0.2389780 -3.2465330 13 O -2.7863065 -0.2899129 0.3574167 -0.3046655 -2.0579624 0.3140284 0.7208121 0.2389780 -3.2465330 14 O -1.7971438 0.0000000 -0.5401724 0.0000000 -5.0712015 0.0000000 -0.5458320 0.0000000 -1.7777458 15 O -3.4659738 -0.1144971 -2.2755830 0.0078493 -1.2338264 0.1187363 -2.5087897 0.0856959 -3.5707752 16 O -3.4659738 0.1144971 -2.2755830 -0.0078493 -1.2338264 -0.1187363 -2.5087897 -0.0856959 -3.5707752 17 O -2.0097982 0.0000000 0.3005988 0.0000000 -5.1484390 0.0000000 0.4989502 0.0000000 -1.3192598 18 O -2.0097982 0.0000000 0.3005988 0.0000000 -5.1484390 0.0000000 0.4989502 0.0000000 -1.3192598 19 O -3.4659738 -0.1144971 -2.2755830 0.0078493 -1.2338264 0.1187363 -2.5087897 0.0856959 -3.5707752 20 O -3.4659738 0.1144971 -2.2755830 -0.0078493 -1.2338264 -0.1187363 -2.5087897 -0.0856959 -3.5707752 21 O -1.7971438 0.0000000 -0.5401724 0.0000000 -5.0712015 0.0000000 -0.5458320 0.0000000 -1.7777458 22 O -2.7863065 0.2899129 0.3574167 0.3046655 -2.0579624 -0.3140284 0.7208121 -0.2389780 -3.2465330 23 O -2.7863065 -0.2899129 0.3574167 -0.3046655 -2.0579624 0.3140284 0.7208121 0.2389780 -3.2465330 24 O -3.5495576 0.2795438 1.6851312 0.4908569 -1.7282094 0.3560008 1.4756406 0.3689255 -3.3908119 25 O -3.5495576 -0.2795438 1.6851312 -0.4908569 -1.7282094 -0.3560008 1.4756406 -0.3689255 -3.3908119 26 O -1.4136760 0.0000000 0.2354224 0.0000000 -7.1256663 0.0000000 -0.1403084 0.0000000 -1.3548590 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000029 (xxx) 0.00000029 (xxx) 0.00000029 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 7 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.951 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.488 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.682 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 0.000 0.000) 0.000 9.251 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.907 ( 0.000 0.000 0.000) 0.000 10.051 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.656 ( 0.000 0.000 0.000) 0.000 10.796 ( 0.000 0.000 0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.633 ( 0.000 0.000 0.000) 0.000 11.763 ( 0.000 0.000 0.000) 0.000 11.860 ( 0.000 0.000 0.000) 0.000 11.928 ( 0.000 0.000 0.000) 0.000 12.025 ( 0.000 0.000 0.000) 0.000 12.632 ( 0.000 0.000 0.000) 0.000 12.717 ( 0.000 0.000 0.000) 0.000 13.183 ( 0.000 0.000 0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 13.862 ( 0.000 0.000 0.000) 0.000 14.005 ( 0.000 0.000 0.000) 0.000 14.076 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 0.000) 0.000 14.411 ( 0.000 0.000 0.000) 0.000 14.903 ( 0.000 0.000 0.000) 0.000 14.980 ( 0.000 0.000 0.000) 0.000 16.654 ( 0.000 0.000 0.000) 0.000 16.893 ( 0.000 0.000 0.000) 0.000 17.640 ( 0.000 0.000 0.000) 0.000 17.859 ( 0.000 0.000 0.000) 0.000 18.182 ( 0.000 0.000 0.000) 0.000 18.534 ( 0.000 0.000 0.000) 0.000 18.950 ( 0.000 0.000 0.000) 0.000 19.340 ( 0.000 0.000 0.000) 0.000 19.769 ( 0.000 0.000 0.000) 0.000 20.536 ( 0.000 0.000 0.000) 0.000 21.287 ( 0.000 0.000 0.000) 0.000 24.471 ( 0.000 0.000 0.000) 0.000 25.719 ( 0.000 0.000 0.000) 0.000 25.724 ( 0.000 0.000 0.000) 0.000 27.807 ( 0.000 0.000 0.000) 0.000 28.463 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 21.589 0.000 4.928) 22.144 0.715 ( 35.386 0.000 17.216) 39.352 0.992 ( 5.276 0.000 0.199) 5.280 0.996 ( 51.019 0.000 -0.848) 51.026 1.923 ( 2.451 0.000 3.043) 3.907 2.282 ( -0.122 0.000 -0.808) 0.817 2.595 ( 3.110 0.000 2.124) 3.766 2.856 ( 2.840 0.000 -1.480) 3.203 3.172 ( -15.210 0.000 -10.378) 18.413 3.288 ( -2.590 0.000 0.414) 2.623 3.599 ( -2.554 0.000 2.198) 3.369 3.666 ( 1.360 0.000 10.609) 10.696 3.755 ( -9.416 0.000 -8.216) 12.496 4.084 ( -11.570 0.000 4.169) 12.298 4.177 ( -12.291 0.000 5.254) 13.367 4.315 ( -0.153 0.000 -11.740) 11.741 4.422 ( 3.049 0.000 1.538) 3.415 4.604 ( 7.012 0.000 -12.839) 14.629 4.980 ( 16.306 0.000 -9.032) 18.640 5.475 ( 3.996 0.000 -23.548) 23.885 5.625 ( 5.087 0.000 16.579) 17.342 5.735 ( -4.542 0.000 19.634) 20.152 5.863 ( 2.328 0.000 -16.277) 16.443 6.050 ( -2.481 0.000 -2.088) 3.243 6.140 ( -0.927 0.000 9.063) 9.110 6.354 ( 0.487 0.000 6.147) 6.166 6.624 ( -4.316 0.000 0.250) 4.323 7.133 ( 10.658 0.000 -3.745) 11.297 7.342 ( 11.666 0.000 -13.884) 18.135 7.649 ( -3.832 0.000 1.055) 3.975 7.934 ( -2.484 0.000 -1.120) 2.725 8.459 ( -1.416 0.000 2.951) 3.273 8.564 ( -2.484 0.000 6.366) 6.834 8.583 ( 0.945 0.000 6.034) 6.108 8.993 ( 0.970 0.000 -6.364) 6.438 9.032 ( -9.446 0.000 -0.287) 9.450 9.275 ( -0.105 0.000 6.114) 6.114 9.727 ( -10.775 0.000 0.489) 10.787 10.002 ( 10.942 0.000 11.501) 15.875 10.215 ( 8.350 0.000 5.006) 9.735 10.559 ( -6.794 0.000 1.641) 6.990 10.812 ( 0.058 0.000 -11.423) 11.423 10.825 ( 3.592 0.000 2.050) 4.136 10.959 ( 3.528 0.000 1.067) 3.685 11.283 ( 2.634 0.000 -1.357) 2.963 11.583 ( -3.663 0.000 8.562) 9.313 11.639 ( -1.654 0.000 -1.334) 2.125 11.807 ( -8.107 0.000 0.612) 8.130 11.833 ( 6.473 0.000 -7.864) 10.185 12.126 ( 6.093 0.000 -2.995) 6.789 12.575 ( -9.791 0.000 8.116) 12.717 12.609 ( -2.012 0.000 -4.239) 4.693 13.061 ( 2.452 0.000 31.131) 31.227 13.207 ( -2.716 0.000 2.673) 3.811 13.542 ( -3.185 0.000 -22.406) 22.632 13.849 ( -1.225 0.000 -3.913) 4.100 14.087 ( 7.992 0.000 -1.429) 8.119 14.117 ( 1.535 0.000 -7.862) 8.010 14.258 ( -0.001 0.000 -0.563) 0.563 14.932 ( 2.960 0.000 0.801) 3.066 14.977 ( 0.187 0.000 -0.557) 0.588 15.351 ( 6.587 0.000 -51.676) 52.094 16.627 ( -2.938 0.000 2.400) 3.793 17.335 ( 5.941 0.000 -59.779) 60.073 17.625 ( -1.954 0.000 4.147) 4.584 17.818 ( -3.375 0.000 4.349) 5.505 18.147 ( -3.694 0.000 1.617) 4.033 18.595 ( 6.030 0.000 -7.762) 9.829 19.192 ( -14.397 0.000 -3.326) 14.776 19.734 ( -3.190 0.000 2.802) 4.246 20.568 ( 3.073 0.000 -0.242) 3.083 21.267 ( -1.984 0.000 0.904) 2.180 22.015 ( 18.335 0.000 -69.470) 71.849 25.623 ( -4.381 0.000 -8.584) 9.638 25.817 ( 4.411 0.000 6.348) 7.730 26.339 ( -23.618 0.000 137.817) 139.826 27.871 ( 4.619 0.000 14.795) 15.500 28.465 ( 0.139 0.000 0.959) 0.969 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 6.877 0.000 0.504) 6.896 1.218 ( 17.685 0.000 2.749) 17.897 1.373 ( 31.256 0.000 14.112) 34.294 1.942 ( 46.730 0.000 -1.922) 46.769 1.994 ( 4.733 0.000 2.119) 5.185 2.280 ( 0.055 0.000 -1.112) 1.113 2.645 ( 1.447 0.000 2.024) 2.488 2.812 ( -16.551 0.000 -9.462) 19.065 2.944 ( 2.430 0.000 -1.641) 2.932 3.214 ( -5.099 0.000 0.622) 5.137 3.481 ( -16.618 0.000 -4.526) 17.223 3.541 ( -3.840 0.000 5.524) 6.728 3.666 ( -2.852 0.000 2.041) 3.507 3.825 ( -13.502 0.000 -0.709) 13.521 3.935 ( -12.895 0.000 14.210) 19.188 4.295 ( -1.094 0.000 -1.773) 2.083 4.611 ( 14.436 0.000 5.043) 15.291 4.719 ( 5.325 0.000 -4.364) 6.885 5.210 ( 5.436 0.000 -4.829) 7.271 5.557 ( 4.925 0.000 -18.263) 18.916 5.704 ( 1.660 0.000 12.080) 12.193 5.724 ( 4.208 0.000 -0.884) 4.300 5.887 ( 2.032 0.000 -11.680) 11.855 5.991 ( -2.830 0.000 -2.972) 4.104 6.119 ( -2.226 0.000 9.841) 10.089 6.375 ( 1.160 0.000 3.315) 3.512 6.559 ( -2.218 0.000 -0.424) 2.258 7.401 ( 16.631 0.000 -7.271) 18.151 7.546 ( -6.862 0.000 1.562) 7.037 7.572 ( 11.819 0.000 -8.400) 14.500 7.874 ( -2.805 0.000 -0.499) 2.849 8.423 ( -3.046 0.000 6.915) 7.556 8.501 ( -4.774 0.000 9.871) 10.965 8.637 ( 4.748 0.000 4.605) 6.614 8.812 ( -12.691 0.000 -2.164) 12.874 8.998 ( 0.133 0.000 -7.881) 7.882 9.279 ( -0.077 0.000 4.719) 4.719 9.555 ( -7.095 0.000 -0.446) 7.109 10.250 ( 12.845 0.000 1.262) 12.907 10.298 ( -0.118 0.000 8.551) 8.552 10.447 ( -4.627 0.000 1.859) 4.986 10.783 ( -1.317 0.000 -9.610) 9.699 10.971 ( 11.319 0.000 2.372) 11.565 11.004 ( 0.213 0.000 -0.571) 0.609 11.358 ( 4.600 0.000 -4.342) 6.326 11.518 ( -4.587 0.000 7.478) 8.773 11.565 ( -5.589 0.000 0.832) 5.651 11.662 ( -5.926 0.000 2.192) 6.318 11.945 ( 4.759 0.000 -5.733) 7.451 12.143 ( -4.386 0.000 -5.019) 6.665 12.506 ( 3.174 0.000 0.795) 3.272 12.560 ( -1.986 0.000 -10.954) 11.132 13.083 ( -1.433 0.000 9.927) 10.029 13.180 ( 0.229 0.000 3.897) 3.904 13.474 ( -2.380 0.000 -7.473) 7.843 13.804 ( -3.419 0.000 0.308) 3.433 14.075 ( -4.140 0.000 -4.202) 5.899 14.282 ( 11.605 0.000 -1.599) 11.715 14.301 ( 3.683 0.000 -7.439) 8.301 14.998 ( 2.167 0.000 -3.077) 3.764 15.022 ( 6.643 0.000 1.094) 6.732 15.447 ( 5.707 0.000 -14.240) 15.341 16.545 ( -5.902 0.000 4.032) 7.148 17.434 ( 7.767 0.000 -17.525) 19.169 17.566 ( -4.532 0.000 8.018) 9.210 17.775 ( -1.053 0.000 1.785) 2.073 18.046 ( -6.809 0.000 3.235) 7.539 18.721 ( 7.179 0.000 -9.104) 11.594 18.846 ( -19.174 0.000 -6.904) 20.379 19.656 ( -5.508 0.000 5.130) 7.526 20.640 ( 3.991 0.000 -0.148) 3.994 21.219 ( -2.760 0.000 1.187) 3.004 22.368 ( 20.904 0.000 -24.769) 32.411 25.546 ( -2.766 0.000 -7.896) 8.367 25.901 ( 3.874 0.000 4.332) 5.811 25.925 ( -25.768 0.000 43.941) 50.939 27.961 ( 2.688 0.000 15.516) 15.747 28.465 ( -0.396 0.000 1.495) 1.547 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 2.527 0.000 -1.692) 3.041 1.579 ( 17.807 0.000 3.274) 18.105 1.927 ( 24.760 0.000 10.904) 27.055 2.107 ( 6.806 0.000 -2.044) 7.106 2.284 ( 0.412 0.000 -0.784) 0.886 2.467 ( -15.088 0.000 -5.603) 16.094 2.655 ( -0.076 0.000 0.322) 0.331 2.726 ( 26.939 0.000 -4.407) 27.297 3.035 ( 6.578 0.000 -1.481) 6.743 3.101 ( -6.389 0.000 0.902) 6.452 3.168 ( -9.298 0.000 -7.230) 11.778 3.453 ( -5.747 0.000 2.844) 6.412 3.556 ( -8.946 0.000 -1.779) 9.121 3.598 ( -9.897 0.000 1.666) 10.036 3.755 ( -5.619 0.000 15.121) 16.131 4.279 ( -0.539 0.000 3.725) 3.764 4.776 ( 0.083 0.000 -3.939) 3.940 4.923 ( 14.800 0.000 13.512) 20.040 5.184 ( -3.971 0.000 -5.207) 6.548 5.592 ( -0.131 0.000 -9.005) 9.006 5.752 ( -0.433 0.000 -2.030) 2.076 5.775 ( 0.888 0.000 -1.467) 1.715 5.970 ( 1.702 0.000 -7.691) 7.877 6.006 ( 12.184 0.000 -2.909) 12.527 6.067 ( -4.098 0.000 8.822) 9.727 6.397 ( 0.667 0.000 1.218) 1.388 6.537 ( -0.080 0.000 -1.737) 1.739 7.388 ( -9.618 0.000 1.408) 9.720 7.719 ( 16.063 0.000 -10.092) 18.970 7.719 ( 3.250 0.000 -8.851) 9.429 7.890 ( 5.486 0.000 4.580) 7.147 8.355 ( -4.411 0.000 7.051) 8.317 8.403 ( -6.066 0.000 10.838) 12.420 8.555 ( -12.858 0.000 -2.803) 13.160 8.778 ( 8.598 0.000 5.341) 10.122 8.998 ( 0.863 0.000 -4.388) 4.472 9.270 ( -1.333 0.000 2.602) 2.924 9.438 ( -5.549 0.000 -2.304) 6.009 10.271 ( -2.280 0.000 7.204) 7.557 10.372 ( -2.141 0.000 0.396) 2.178 10.468 ( 7.491 0.000 -0.282) 7.497 10.752 ( -1.242 0.000 -10.562) 10.634 10.990 ( 0.047 0.000 -4.123) 4.124 11.225 ( 13.685 0.000 2.594) 13.929 11.382 ( -7.845 0.000 1.436) 7.976 11.413 ( 0.869 0.000 -5.743) 5.808 11.465 ( -5.483 0.000 3.065) 6.281 11.603 ( -1.740 0.000 9.679) 9.834 11.991 ( 0.201 0.000 3.625) 3.630 12.043 ( -4.073 0.000 -3.273) 5.225 12.531 ( 0.571 0.000 -17.145) 17.154 12.602 ( 4.872 0.000 -3.971) 6.285 13.066 ( -0.151 0.000 5.351) 5.353 13.224 ( 3.466 0.000 2.853) 4.490 13.423 ( -2.776 0.000 -3.123) 4.178 13.730 ( -3.713 0.000 4.933) 6.174 13.991 ( -3.928 0.000 -5.291) 6.590 14.356 ( 2.460 0.000 -7.095) 7.510 14.493 ( 9.508 0.000 -0.767) 9.539 15.047 ( 3.098 0.000 -6.114) 6.854 15.205 ( 12.587 0.000 0.956) 12.623 15.532 ( 3.685 0.000 -1.929) 4.159 16.410 ( -8.318 0.000 3.610) 9.068 17.485 ( -4.045 0.000 7.014) 8.097 17.588 ( 8.048 0.000 2.255) 8.358 17.772 ( 0.311 0.000 0.477) 0.570 17.902 ( -8.085 0.000 3.921) 8.985 18.507 ( -13.756 0.000 -12.631) 18.675 18.839 ( 5.528 0.000 -6.968) 8.895 19.525 ( -8.417 0.000 5.772) 10.206 20.704 ( 2.326 0.000 0.380) 2.357 21.175 ( -1.738 0.000 0.641) 1.852 22.732 ( 17.592 0.000 -8.425) 19.505 25.475 ( -22.343 0.000 13.139) 25.920 25.504 ( -1.016 0.000 -5.960) 6.046 25.975 ( 3.526 0.000 2.466) 4.303 27.993 ( -0.321 0.000 11.458) 11.462 28.450 ( -1.244 0.000 1.429) 1.895 ======================= Grid point 4 (5/128) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 1.526 0.000 -1.451) 2.106 1.878 ( 12.579 0.000 1.967) 12.732 2.171 ( -7.063 0.000 1.779) 7.284 2.217 ( 3.397 0.000 -3.068) 4.577 2.293 ( 0.441 0.000 -0.130) 0.459 2.384 ( 14.443 0.000 0.952) 14.474 2.667 ( 2.082 0.000 -2.124) 2.974 2.825 ( -6.791 0.000 -0.826) 6.841 2.915 ( -4.226 0.000 -6.291) 7.579 2.986 ( -5.191 0.000 0.281) 5.199 3.344 ( -4.635 0.000 -4.335) 6.346 3.356 ( -9.782 0.000 2.098) 10.004 3.442 ( -6.910 0.000 9.342) 11.620 3.543 ( 19.453 0.000 2.246) 19.582 3.768 ( 9.243 0.000 -2.477) 9.570 4.286 ( 1.008 0.000 9.031) 9.087 4.685 ( -9.396 0.000 -4.713) 10.512 5.005 ( -4.471 0.000 13.243) 13.977 5.280 ( 11.718 0.000 -8.669) 14.576 5.559 ( -1.881 0.000 -4.999) 5.341 5.705 ( -3.265 0.000 -0.812) 3.364 5.789 ( 1.727 0.000 3.213) 3.647 5.964 ( -5.041 0.000 0.703) 5.090 6.032 ( 2.330 0.000 -3.484) 4.191 6.270 ( 13.372 0.000 -1.124) 13.419 6.399 ( -0.384 0.000 1.245) 1.303 6.544 ( 0.661 0.000 -2.313) 2.406 7.189 ( -10.470 0.000 0.578) 10.486 7.754 ( 2.149 0.000 -4.572) 5.052 7.967 ( 9.953 0.000 -10.038) 14.136 8.023 ( 6.432 0.000 4.090) 7.622 8.271 ( -4.800 0.000 3.895) 6.181 8.303 ( -4.694 0.000 9.500) 10.597 8.335 ( -8.898 0.000 -2.103) 9.144 8.950 ( 7.837 0.000 4.348) 8.962 9.036 ( 3.272 0.000 0.523) 3.313 9.235 ( -2.199 0.000 0.760) 2.327 9.327 ( -5.641 0.000 -3.491) 6.634 10.243 ( -0.985 0.000 3.906) 4.028 10.331 ( -1.899 0.000 -2.506) 3.144 10.552 ( 1.646 0.000 1.326) 2.113 10.712 ( -1.864 0.000 -5.380) 5.694 11.020 ( 2.735 0.000 -6.813) 7.342 11.270 ( -4.033 0.000 0.307) 4.045 11.382 ( -1.869 0.000 -3.255) 3.753 11.385 ( -1.875 0.000 2.059) 2.784 11.473 ( 10.233 0.000 0.079) 10.233 11.571 ( -2.733 0.000 9.176) 9.575 11.965 ( -3.046 0.000 6.866) 7.511 11.994 ( -1.084 0.000 -1.668) 1.990 12.551 ( 2.343 0.000 -13.218) 13.424 12.659 ( 1.536 0.000 -3.432) 3.760 13.086 ( 1.276 0.000 2.442) 2.755 13.290 ( 2.693 0.000 1.228) 2.960 13.369 ( -2.163 0.000 -0.325) 2.187 13.689 ( -1.028 0.000 5.802) 5.893 13.918 ( -3.004 0.000 -5.839) 6.567 14.383 ( 0.984 0.000 -3.732) 3.860 14.624 ( 4.101 0.000 -0.090) 4.102 15.098 ( 2.461 0.000 -5.170) 5.726 15.488 ( 15.136 0.000 1.185) 15.182 15.581 ( 1.398 0.000 1.245) 1.872 16.240 ( -9.128 0.000 1.039) 9.187 17.430 ( -2.181 0.000 4.007) 4.563 17.700 ( 2.137 0.000 10.144) 10.367 17.752 ( -5.144 0.000 2.226) 5.605 17.790 ( -0.624 0.000 0.779) 0.998 18.343 ( -1.828 0.000 -14.596) 14.710 18.916 ( 2.908 0.000 -3.658) 4.673 19.361 ( -8.183 0.000 4.513) 9.345 20.729 ( 0.396 0.000 0.606) 0.724 21.156 ( -0.338 0.000 0.025) 0.339 23.004 ( 10.470 0.000 -1.385) 10.561 25.128 ( -13.471 0.000 1.712) 13.579 25.491 ( -0.125 0.000 -3.166) 3.168 26.036 ( 2.444 0.000 1.044) 2.658 27.982 ( -1.190 0.000 6.071) 6.187 28.425 ( -1.254 0.000 0.852) 1.516 ======================= Grid point 5 (6/128) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 0.000 0.000) 0.000 2.022 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 -0.000) 0.000 2.708 ( 0.000 0.000 -0.000) 0.000 2.756 ( 0.000 0.000 -0.000) 0.000 2.857 ( 0.000 0.000 -0.000) 0.000 2.925 ( 0.000 0.000 -0.000) 0.000 3.243 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 -0.000) 0.000 3.371 ( -0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 -0.000) 0.000 3.988 ( 0.000 0.000 -0.000) 0.000 4.351 ( -0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 -0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 -0.000) 0.000 5.856 ( -0.000 0.000 -0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 -0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 7.061 ( -0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 -0.000) 0.000 8.063 ( 0.000 0.000 -0.000) 0.000 8.109 ( 0.000 0.000 -0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.247 ( 0.000 0.000 -0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 9.040 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.207 ( 0.000 0.000 -0.000) 0.000 9.251 ( -0.000 0.000 0.000) 0.000 10.237 ( 0.000 0.000 0.000) 0.000 10.307 ( 0.000 0.000 0.000) 0.000 10.563 ( 0.000 0.000 0.000) 0.000 10.690 ( 0.000 0.000 0.000) 0.000 11.049 ( 0.000 0.000 -0.000) 0.000 11.224 ( 0.000 0.000 -0.000) 0.000 11.354 ( 0.000 0.000 0.000) 0.000 11.387 ( 0.000 0.000 -0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.589 ( 0.000 0.000 -0.000) 0.000 11.924 ( 0.000 0.000 0.000) 0.000 11.985 ( 0.000 0.000 -0.000) 0.000 12.573 ( 0.000 0.000 0.000) 0.000 12.670 ( 0.000 0.000 -0.000) 0.000 13.100 ( 0.000 0.000 -0.000) 0.000 13.318 ( 0.000 0.000 -0.000) 0.000 13.349 ( 0.000 0.000 0.000) 0.000 13.686 ( 0.000 0.000 0.000) 0.000 13.882 ( 0.000 0.000 -0.000) 0.000 14.391 ( 0.000 0.000 0.000) 0.000 14.661 ( 0.000 0.000 0.000) 0.000 15.122 ( 0.000 0.000 -0.000) 0.000 15.593 ( 0.000 0.000 0.000) 0.000 15.675 ( 0.000 0.000 -0.000) 0.000 16.120 ( -0.000 0.000 -0.000) 0.000 17.410 ( 0.000 0.000 -0.000) 0.000 17.692 ( 0.000 0.000 0.000) 0.000 17.713 ( 0.000 0.000 -0.000) 0.000 17.791 ( 0.000 0.000 0.000) 0.000 18.343 ( 0.000 0.000 -0.000) 0.000 18.943 ( 0.000 0.000 -0.000) 0.000 19.272 ( 0.000 0.000 -0.000) 0.000 20.731 ( 0.000 0.000 0.000) 0.000 21.154 ( 0.000 0.000 0.000) 0.000 23.108 ( 0.000 0.000 -0.000) 0.000 24.993 ( 0.000 0.000 0.000) 0.000 25.489 ( 0.000 0.000 0.000) 0.000 26.062 ( 0.000 0.000 0.000) 0.000 27.971 ( 0.000 0.000 -0.000) 0.000 28.412 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/128) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 24.432 0.000) 24.432 0.540 ( 0.000 27.035 0.000) 27.035 1.247 ( 0.000 61.380 0.000) 61.380 1.740 ( 0.000 13.050 0.000) 13.050 2.093 ( 0.000 34.432 0.000) 34.432 2.511 ( 0.000 -3.277 0.000) 3.277 2.530 ( 0.000 20.022 0.000) 20.022 2.847 ( 0.000 2.246 0.000) 2.246 3.333 ( 0.000 0.883 0.000) 0.883 3.448 ( 0.000 9.568 0.000) 9.568 3.577 ( 0.000 -3.952 0.000) 3.952 3.673 ( 0.000 4.649 0.000) 4.649 3.811 ( 0.000 4.347 0.000) 4.347 4.157 ( 0.000 8.833 0.000) 8.833 4.366 ( 0.000 2.562 0.000) 2.562 4.476 ( 0.000 -0.659 0.000) 0.659 4.509 ( 0.000 2.694 0.000) 2.694 4.708 ( 0.000 1.369 0.000) 1.369 5.016 ( 0.000 0.863 0.000) 0.863 5.321 ( 0.000 -3.408 0.000) 3.408 5.525 ( 0.000 4.365 0.000) 4.365 5.607 ( 0.000 4.998 0.000) 4.998 5.847 ( 0.000 0.892 0.000) 0.892 6.109 ( 0.000 -2.395 0.000) 2.395 6.262 ( 0.000 2.826 0.000) 2.826 6.266 ( 0.000 -7.083 0.000) 7.083 6.727 ( 0.000 5.243 0.000) 5.243 7.063 ( 0.000 -9.449 0.000) 9.449 7.708 ( 0.000 -0.734 0.000) 0.734 7.846 ( 0.000 -9.626 0.000) 9.626 8.242 ( 0.000 -9.357 0.000) 9.357 8.445 ( 0.000 -2.719 0.000) 2.719 8.641 ( 0.000 0.753 0.000) 0.753 8.719 ( 0.000 4.441 0.000) 4.441 9.033 ( 0.000 -3.700 0.000) 3.700 9.259 ( 0.000 5.883 0.000) 5.883 9.267 ( 0.000 0.151 0.000) 0.151 9.576 ( 0.000 8.050 0.000) 8.050 9.814 ( 0.000 -7.432 0.000) 7.432 10.452 ( 0.000 4.864 0.000) 4.864 10.491 ( 0.000 -12.277 0.000) 12.277 10.804 ( 0.000 -2.475 0.000) 2.475 10.912 ( 0.000 -3.687 0.000) 3.687 10.969 ( 0.000 8.434 0.000) 8.434 11.280 ( 0.000 2.330 0.000) 2.330 11.642 ( 0.000 1.437 0.000) 1.437 11.709 ( 0.000 -7.244 0.000) 7.244 11.879 ( 0.000 6.224 0.000) 6.224 11.961 ( 0.000 10.180 0.000) 10.180 11.991 ( 0.000 -3.105 0.000) 3.105 12.152 ( 0.000 16.585 0.000) 16.585 12.593 ( 0.000 -4.830 0.000) 4.830 12.673 ( 0.000 -4.088 0.000) 4.088 13.109 ( 0.000 -3.286 0.000) 3.286 13.319 ( 0.000 4.317 0.000) 4.317 13.760 ( 0.000 -8.992 0.000) 8.992 14.011 ( 0.000 -6.310 0.000) 6.310 14.219 ( 0.000 -5.080 0.000) 5.080 14.396 ( 0.000 -1.407 0.000) 1.407 14.738 ( 0.000 -0.776 0.000) 0.776 15.070 ( 0.000 14.024 0.000) 14.024 16.424 ( 0.000 29.756 0.000) 29.756 16.781 ( 0.000 -4.485 0.000) 4.485 16.874 ( 0.000 14.506 0.000) 14.506 17.775 ( 0.000 0.996 0.000) 0.996 18.205 ( 0.000 2.086 0.000) 2.086 18.514 ( 0.000 -1.862 0.000) 1.862 19.069 ( 0.000 11.981 0.000) 11.981 19.258 ( 0.000 -8.410 0.000) 8.410 19.771 ( 0.000 0.643 0.000) 0.643 20.502 ( 0.000 -3.269 0.000) 3.269 21.203 ( 0.000 -8.647 0.000) 8.647 24.526 ( 0.000 5.734 0.000) 5.734 24.570 ( 0.000 8.093 0.000) 8.093 25.683 ( 0.000 -4.150 0.000) 4.150 25.715 ( 0.000 -4.744 0.000) 4.744 27.813 ( 0.000 0.886 0.000) 0.886 28.443 ( 0.000 -2.376 0.000) 2.376 ======================= Grid point 12 (8/128) ======================= q-point: ( 0.10 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 28.115 12.759 17.309) 35.396 0.937 ( 27.505 19.143 -5.396) 33.943 1.466 ( 23.042 48.492 4.051) 53.840 1.763 ( 3.198 21.064 0.286) 21.308 2.065 ( -1.254 33.968 2.484) 34.082 2.521 ( -0.146 16.319 -1.770) 16.415 2.563 ( 3.862 0.284 3.652) 5.323 2.865 ( 1.726 1.264 -1.301) 2.504 3.216 ( -11.706 2.219 -5.385) 13.075 3.284 ( -9.279 5.309 -6.725) 12.629 3.622 ( 1.165 -1.949 6.542) 6.925 3.696 ( -3.845 4.112 6.231) 8.398 3.768 ( -1.771 6.976 -4.924) 8.721 4.070 ( -9.262 3.763 16.602) 19.380 4.241 ( -15.939 2.261 3.316) 16.437 4.282 ( -3.265 3.579 2.961) 5.678 4.600 ( 5.910 2.700 -3.924) 7.591 4.820 ( -2.951 10.440 -13.287) 17.154 4.993 ( 12.365 1.631 -5.418) 13.598 5.330 ( -0.135 -9.745 3.105) 10.229 5.568 ( 3.813 5.626 0.963) 6.864 5.735 ( 7.630 2.353 -5.399) 9.638 5.862 ( 2.500 -0.310 -12.546) 12.796 6.116 ( -0.117 -1.584 1.586) 2.244 6.243 ( -0.931 -2.985 -3.295) 4.542 6.303 ( 2.529 -0.237 8.446) 8.820 6.650 ( -6.002 5.747 1.771) 8.496 7.177 ( 9.172 -8.096 -0.417) 12.241 7.685 ( -2.393 2.868 2.331) 4.403 7.784 ( -5.975 -1.792 -5.032) 8.015 8.097 ( -15.585 29.503 -3.311) 33.531 8.233 ( -5.704 -11.208 5.166) 13.596 8.471 ( 1.007 -0.914 3.374) 3.638 8.825 ( -7.497 2.722 0.954) 8.033 8.892 ( 5.651 -3.796 -5.421) 8.702 9.125 ( -5.544 2.457 4.377) 7.478 9.344 ( -1.630 7.454 3.302) 8.314 9.678 ( -3.890 1.302 -3.355) 5.299 10.003 ( 14.019 -6.148 7.440) 17.020 10.279 ( -1.133 3.794 4.880) 6.284 10.536 ( -1.993 -0.165 -1.048) 2.258 10.790 ( -5.471 -2.918 -4.662) 7.757 10.864 ( 2.418 2.617 2.474) 4.338 11.054 ( 3.768 8.738 0.545) 9.531 11.185 ( 2.124 -5.523 4.593) 7.490 11.635 ( -2.096 1.746 3.545) 4.473 11.680 ( -5.439 -4.401 -0.712) 7.033 11.758 ( -5.225 7.946 0.322) 9.515 11.965 ( 3.592 10.455 -7.647) 13.442 12.070 ( 4.999 -4.991 -4.427) 8.337 12.473 ( -4.057 -6.200 9.713) 12.216 12.638 ( -2.104 -0.160 -2.992) 3.662 12.768 ( 24.220 -12.417 -2.798) 27.360 13.171 ( 5.268 -6.917 -7.840) 11.708 13.296 ( -1.294 2.596 -2.195) 3.637 13.714 ( -3.182 -8.039 0.295) 8.651 14.023 ( 0.625 -6.255 -4.681) 7.838 14.198 ( -1.964 -5.187 1.757) 5.818 14.368 ( 1.574 2.638 3.544) 4.690 14.893 ( 9.015 -7.697 -6.229) 13.391 15.125 ( 7.300 16.944 -0.166) 18.451 16.039 ( -24.610 44.039 -3.377) 50.562 16.831 ( -2.001 17.955 -3.976) 18.498 17.012 ( 12.424 -9.751 -16.107) 22.558 17.701 ( -6.751 1.905 8.187) 10.781 18.106 ( -11.024 3.041 5.559) 12.715 18.513 ( -20.232 24.464 -5.205) 32.170 18.584 ( 1.383 3.157 -7.382) 8.147 19.171 ( -11.274 -5.193 -8.466) 15.025 19.869 ( 0.456 8.430 -3.272) 9.054 20.536 ( 3.021 -3.428 -0.331) 4.581 21.174 ( -1.928 -8.374 0.239) 8.596 22.823 ( -34.333 57.424 -70.530) 97.215 25.548 ( -3.292 -8.127 -5.919) 10.579 25.788 ( 6.670 -3.629 12.001) 14.201 25.921 ( 10.077 -24.784 90.384) 94.261 27.838 ( 3.461 -0.820 3.567) 5.037 28.448 ( 0.443 -2.178 0.865) 2.385 ======================= Grid point 13 (9/128) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 17.110 29.705 -0.089) 34.281 1.428 ( 28.788 5.705 12.265) 31.808 1.802 ( 7.132 33.431 -1.406) 34.212 2.069 ( 5.271 18.779 4.816) 20.090 2.159 ( 33.757 25.412 1.386) 42.276 2.510 ( -1.058 15.780 -1.725) 15.909 2.636 ( 2.603 0.255 3.594) 4.445 2.863 ( -7.793 4.142 -7.359) 11.491 2.954 ( -6.046 4.776 -3.719) 8.556 3.161 ( -4.720 -1.752 -3.423) 6.088 3.515 ( -11.227 7.133 0.793) 13.325 3.600 ( -6.660 2.931 7.259) 10.278 3.703 ( -5.384 2.086 -0.977) 5.856 3.906 ( -7.648 3.761 20.770) 22.450 3.945 ( -14.552 4.684 -3.661) 15.719 4.280 ( 1.634 1.901 1.312) 2.829 4.699 ( 4.766 1.376 0.013) 4.961 4.820 ( 4.906 10.887 -3.388) 12.413 5.187 ( 2.277 -1.618 0.662) 2.871 5.361 ( 6.441 -14.355 1.339) 15.790 5.658 ( 4.453 8.930 -11.588) 15.292 5.808 ( 2.390 -1.103 -8.186) 8.599 5.922 ( 3.139 1.432 -7.739) 8.473 6.092 ( -2.445 1.489 -4.160) 5.050 6.217 ( -1.301 -1.924 7.831) 8.168 6.372 ( 3.820 0.473 0.782) 3.928 6.561 ( -2.523 9.563 4.562) 10.892 7.341 ( 6.639 -7.628 0.448) 10.122 7.667 ( 1.561 9.628 0.572) 9.771 7.738 ( 1.875 1.458 -6.267) 6.702 7.980 ( -1.237 14.276 1.374) 14.395 8.145 ( -3.246 -6.113 2.999) 7.543 8.541 ( 4.752 -2.224 4.335) 6.806 8.659 ( -8.095 -4.172 0.103) 9.108 8.982 ( 1.283 9.129 0.543) 9.234 9.035 ( -3.121 3.285 -1.952) 4.934 9.288 ( -3.757 4.931 2.832) 6.815 9.527 ( -8.165 -1.407 -1.445) 8.410 10.216 ( 7.513 -5.066 5.857) 10.789 10.351 ( 3.231 4.001 4.554) 6.870 10.483 ( -2.731 4.677 -1.461) 5.610 10.692 ( -1.646 -5.953 -7.347) 9.598 10.981 ( 7.705 0.856 2.290) 8.084 11.091 ( 1.613 6.882 0.071) 7.069 11.301 ( 5.368 -5.465 2.951) 8.209 11.534 ( -7.101 -2.924 -4.389) 8.845 11.601 ( -1.931 6.130 6.501) 9.142 11.663 ( -4.925 4.687 0.692) 6.833 12.003 ( -1.108 0.986 -5.965) 6.147 12.121 ( 1.318 0.467 -3.306) 3.590 12.438 ( 2.571 -3.917 1.908) 5.059 12.595 ( -1.675 1.506 -8.548) 8.840 13.020 ( 4.559 -4.247 3.273) 7.038 13.189 ( -1.873 -0.562 4.139) 4.578 13.336 ( 3.626 -8.732 -9.387) 13.323 13.685 ( -0.589 -8.121 1.166) 8.226 14.002 ( -2.602 -5.322 -5.242) 7.910 14.186 ( 1.969 -5.761 -0.659) 6.124 14.502 ( 11.371 2.012 -0.317) 11.552 14.961 ( 0.235 -3.360 -3.858) 5.121 15.351 ( 13.514 17.470 1.791) 22.160 15.679 ( -12.013 38.900 -7.799) 41.453 16.746 ( -6.424 17.502 -0.528) 18.651 17.217 ( 10.517 -10.651 -9.920) 17.957 17.596 ( -3.971 3.015 7.613) 9.100 17.897 ( -8.804 3.926 9.727) 13.695 18.254 ( -8.749 19.687 0.348) 21.546 18.694 ( 6.406 -2.506 -9.147) 11.445 18.870 ( -17.184 -0.720 -9.161) 19.487 19.792 ( -6.615 12.557 1.028) 14.230 20.604 ( 3.794 -3.873 -0.462) 5.441 21.140 ( -2.032 -8.079 1.470) 8.460 22.652 ( 8.570 27.759 -25.756) 38.824 25.472 ( -2.878 -7.915 -8.342) 11.854 25.822 ( -14.803 -6.995 30.612) 34.715 25.901 ( 1.302 -1.990 13.860) 14.062 27.919 ( 3.158 -2.776 10.486) 11.298 28.455 ( 0.004 -1.588 1.483) 2.173 ======================= Grid point 14 (10/128) ======================= q-point: ( 0.30 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 10.661 40.161 -0.573) 41.555 1.939 ( 17.639 13.602 0.456) 22.279 1.966 ( 14.670 22.979 7.618) 28.307 2.150 ( 5.173 10.700 2.041) 12.059 2.435 ( -8.032 6.058 -4.382) 10.973 2.621 ( -2.857 13.248 -0.336) 13.557 2.685 ( 0.332 9.095 3.768) 9.850 2.739 ( 8.914 1.585 -5.036) 10.360 3.005 ( 4.209 2.079 -5.812) 7.471 3.134 ( 12.624 4.290 -3.440) 13.770 3.289 ( -11.010 10.926 0.362) 15.515 3.444 ( -8.477 0.705 3.112) 9.058 3.583 ( -6.901 0.683 11.508) 13.436 3.675 ( -12.655 3.802 -5.601) 14.352 3.820 ( -3.268 9.235 9.561) 13.688 4.308 ( 0.806 3.076 3.650) 4.841 4.754 ( -0.239 -1.848 -1.131) 2.179 4.979 ( 9.489 4.658 10.191) 14.684 5.146 ( -2.571 -3.660 -2.235) 5.000 5.511 ( 6.679 -11.563 -2.679) 13.619 5.670 ( -1.528 6.423 -7.940) 10.326 5.846 ( -0.464 0.625 -5.873) 5.924 5.954 ( 2.481 -1.243 -5.586) 6.237 6.018 ( -4.097 2.263 -3.027) 5.574 6.236 ( 2.216 -0.164 5.312) 5.758 6.433 ( 2.365 -5.555 -3.418) 6.938 6.585 ( 4.883 21.282 4.479) 22.290 7.390 ( -1.839 -1.880 1.115) 2.857 7.732 ( 3.658 6.658 -4.166) 8.664 7.785 ( 3.168 0.241 -2.603) 4.107 7.948 ( -2.732 -10.202 7.951) 13.219 8.189 ( 6.851 14.668 -1.726) 16.281 8.468 ( -6.779 0.945 -3.951) 7.903 8.710 ( 8.041 -5.836 4.144) 10.765 8.903 ( -6.527 19.985 6.513) 22.010 9.029 ( 0.400 3.990 -4.272) 5.859 9.221 ( -3.314 -2.748 1.752) 4.648 9.405 ( -4.698 -3.302 -0.428) 5.758 10.293 ( 1.435 -2.625 4.194) 5.152 10.329 ( -5.075 0.898 2.484) 5.722 10.487 ( 2.584 0.064 -3.383) 4.258 10.712 ( 2.877 -2.165 -7.298) 8.138 11.011 ( -2.627 2.438 -2.343) 4.282 11.233 ( 7.481 -2.473 1.967) 8.121 11.298 ( -2.198 -3.220 2.133) 4.444 11.460 ( -0.299 4.325 -1.852) 4.714 11.543 ( -4.441 6.611 -2.104) 8.237 11.634 ( 1.627 4.998 9.031) 10.450 11.946 ( -2.533 -5.379 -2.985) 6.653 12.124 ( -1.683 7.625 3.611) 8.603 12.533 ( 5.650 -5.214 -2.897) 8.216 12.573 ( 0.810 2.876 -13.210) 13.544 13.030 ( -1.836 -3.095 3.287) 4.874 13.214 ( 3.604 -1.949 0.223) 4.103 13.354 ( -0.774 -6.114 -2.662) 6.713 13.656 ( -2.427 -6.795 4.148) 8.323 13.932 ( -3.604 -4.311 -5.087) 7.580 14.260 ( 4.711 -5.802 -4.128) 8.538 14.775 ( 15.837 -0.826 -0.908) 15.885 14.947 ( -0.408 2.705 -3.074) 4.115 15.515 ( -4.252 35.269 -3.771) 35.724 15.605 ( 10.823 12.019 2.008) 16.298 16.595 ( -8.912 15.234 1.289) 17.696 17.409 ( 9.618 -8.277 0.023) 12.689 17.556 ( -1.185 4.917 3.907) 6.391 17.788 ( -3.654 0.451 7.759) 8.588 18.096 ( -8.459 16.131 4.804) 18.838 18.539 ( -13.465 1.375 -11.589) 17.819 18.814 ( 5.197 -2.659 -7.125) 9.212 19.643 ( -8.758 11.719 3.078) 14.950 20.668 ( 2.563 -3.954 0.203) 4.716 21.098 ( -2.195 -8.129 0.856) 8.463 22.879 ( 13.866 15.581 -8.775) 22.628 25.430 ( -1.290 -7.665 -5.537) 9.543 25.475 ( -18.920 0.120 11.150) 21.961 25.965 ( 3.150 -1.317 3.161) 4.653 27.959 ( 0.225 -2.573 9.566) 9.909 28.447 ( -0.958 -0.933 1.463) 1.982 ======================= Grid point 15 (11/128) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 6.111 53.999 -2.087) 54.384 2.070 ( 2.150 15.581 -0.265) 15.731 2.220 ( -1.789 9.631 5.024) 11.009 2.252 ( 3.862 4.973 -1.544) 6.483 2.404 ( 13.375 4.764 0.448) 14.205 2.604 ( 1.088 18.890 -1.870) 19.013 2.671 ( -1.827 6.507 2.232) 7.118 2.788 ( 3.051 -0.690 -4.477) 5.462 2.928 ( -5.392 0.954 -6.445) 8.457 3.103 ( -8.984 11.038 1.741) 14.338 3.298 ( -6.926 -1.305 1.600) 7.227 3.405 ( -2.852 -1.715 10.814) 11.314 3.463 ( -7.757 5.282 -9.297) 13.210 3.637 ( 10.985 8.519 8.487) 16.287 3.851 ( 12.370 8.881 -3.123) 15.545 4.324 ( 0.789 3.932 6.833) 7.923 4.664 ( -9.107 -1.838 -2.267) 9.563 5.029 ( -3.257 1.828 11.345) 11.944 5.232 ( 8.699 -4.690 -6.643) 11.908 5.604 ( 3.231 -6.895 -6.934) 10.298 5.634 ( -0.583 3.786 -1.185) 4.009 5.769 ( -4.974 -2.792 3.968) 6.949 5.938 ( -4.132 1.343 0.480) 4.372 6.018 ( 3.319 -0.336 -7.019) 7.772 6.278 ( 1.330 -2.064 1.822) 3.057 6.462 ( 1.049 -7.726 -2.464) 8.177 6.739 ( 9.736 29.012 1.818) 30.656 7.298 ( -6.853 7.183 -0.024) 9.928 7.767 ( 1.313 4.248 -3.108) 5.425 7.812 ( -1.443 -10.395 2.031) 10.689 7.967 ( 4.505 -6.625 4.711) 9.294 8.213 ( -5.305 -0.553 -0.843) 5.400 8.482 ( 8.535 23.202 -9.480) 26.478 8.767 ( -6.336 22.380 5.385) 23.875 8.870 ( 6.082 -4.165 4.317) 8.543 9.040 ( 0.332 -0.559 0.979) 1.175 9.168 ( -1.659 -5.316 0.372) 5.581 9.329 ( -3.391 -0.551 -0.686) 3.503 10.236 ( -3.893 -3.900 -1.589) 5.735 10.321 ( 1.373 1.834 1.692) 2.849 10.500 ( -0.990 -5.431 -1.054) 5.620 10.746 ( 0.667 3.575 -2.830) 4.608 10.968 ( -0.774 -3.336 -3.824) 5.133 11.178 ( -4.166 -8.144 0.282) 9.152 11.351 ( -0.360 0.569 2.786) 2.867 11.461 ( -1.965 5.960 -4.223) 7.564 11.560 ( 7.260 7.913 1.406) 10.830 11.677 ( 2.421 9.367 5.350) 11.056 11.921 ( -0.030 -5.068 -0.159) 5.071 12.060 ( -5.012 7.107 4.926) 9.995 12.595 ( 2.336 -1.283 -7.713) 8.160 12.618 ( 2.676 1.184 -5.563) 6.286 13.008 ( -0.567 -6.994 2.179) 7.347 13.275 ( 1.908 -3.615 -1.075) 4.227 13.329 ( -0.823 -3.962 0.638) 4.096 13.625 ( -0.911 -6.313 4.433) 7.767 13.866 ( -2.684 -2.973 -4.902) 6.330 14.331 ( 2.665 -4.318 -3.024) 5.907 14.912 ( 0.070 -7.666 -2.306) 8.006 15.102 ( 13.936 13.865 0.384) 19.662 15.431 ( -4.448 22.167 -1.970) 22.694 15.809 ( 9.693 16.488 2.235) 19.256 16.421 ( -8.815 14.523 0.402) 16.993 17.526 ( -0.407 9.016 1.905) 9.224 17.578 ( 5.251 -6.049 5.655) 9.805 17.763 ( 0.081 -0.374 2.277) 2.309 17.933 ( -8.209 12.161 4.768) 15.427 18.362 ( -3.821 1.139 -10.391) 11.130 18.888 ( 2.789 -3.051 -3.744) 5.577 19.480 ( -7.537 11.998 2.606) 14.407 20.699 ( 0.796 -3.211 0.636) 3.369 21.065 ( -1.150 -9.630 -0.042) 9.699 23.108 ( 9.351 11.333 -1.557) 14.775 25.163 ( -12.336 3.867 1.517) 13.016 25.422 ( 0.054 -7.521 -3.236) 8.187 26.019 ( 2.102 -2.070 1.146) 3.165 27.957 ( -0.805 -1.983 5.434) 5.840 28.426 ( -1.132 -0.502 0.867) 1.511 ======================= Grid point 16 (12/128) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.000 61.776 0.000) 61.776 2.060 ( 0.000 2.875 -0.000) 2.875 2.219 ( 0.000 11.705 -0.000) 11.705 2.277 ( 0.000 7.023 0.000) 7.023 2.575 ( -0.000 1.784 -0.000) 1.784 2.603 ( 0.000 25.846 0.000) 25.846 2.675 ( 0.000 1.539 -0.000) 1.539 2.826 ( 0.000 -1.348 0.000) 1.348 2.931 ( -0.000 1.331 0.000) 1.331 2.936 ( 0.000 13.793 -0.000) 13.793 3.214 ( 0.000 -0.946 -0.000) 0.946 3.360 ( 0.000 -0.861 -0.000) 0.861 3.383 ( 0.000 5.213 0.000) 5.213 3.695 ( 0.000 5.158 -0.000) 5.158 4.108 ( 0.000 11.238 -0.000) 11.238 4.388 ( -0.000 3.449 0.000) 3.449 4.459 ( 0.000 -2.729 0.000) 2.729 4.995 ( 0.000 2.550 -0.000) 2.550 5.323 ( 0.000 -7.238 0.000) 7.238 5.621 ( -0.000 6.243 0.000) 6.243 5.643 ( 0.000 -2.087 -0.000) 2.087 5.723 ( 0.000 -11.363 -0.000) 11.363 5.886 ( 0.000 3.026 -0.000) 3.026 6.048 ( 0.000 -0.321 0.000) 0.321 6.290 ( 0.000 -2.732 0.000) 2.732 6.471 ( 0.000 -7.697 0.000) 7.697 6.871 ( 0.000 31.849 0.000) 31.849 7.198 ( -0.000 9.218 0.000) 9.218 7.783 ( 0.000 3.105 -0.000) 3.105 7.789 ( 0.000 -13.160 0.000) 13.160 8.050 ( 0.000 -7.189 -0.000) 7.189 8.120 ( 0.000 0.332 0.000) 0.332 8.635 ( 0.000 26.302 -0.000) 26.302 8.643 ( -0.000 26.991 0.000) 26.991 8.957 ( -0.000 -6.464 0.000) 6.464 9.018 ( 0.000 -6.905 0.000) 6.905 9.166 ( 0.000 -3.750 0.000) 3.750 9.289 ( -0.000 2.257 0.000) 2.257 10.195 ( 0.000 -5.744 0.000) 5.744 10.339 ( 0.000 4.949 0.000) 4.949 10.481 ( 0.000 -8.661 -0.000) 8.661 10.747 ( 0.000 5.742 0.000) 5.742 10.967 ( 0.000 -6.096 -0.000) 6.096 11.131 ( 0.000 -8.308 -0.000) 8.308 11.344 ( 0.000 0.902 -0.000) 0.902 11.440 ( 0.000 5.773 0.000) 5.773 11.625 ( 0.000 8.714 0.000) 8.714 11.735 ( 0.000 10.706 -0.000) 10.706 11.935 ( 0.000 -3.434 -0.000) 3.434 11.982 ( 0.000 5.235 0.000) 5.235 12.620 ( 0.000 -4.885 0.000) 4.885 12.637 ( 0.000 5.967 -0.000) 5.967 13.004 ( 0.000 -8.888 0.000) 8.888 13.285 ( 0.000 -4.573 -0.000) 4.573 13.329 ( 0.000 -3.297 0.000) 3.297 13.621 ( 0.000 -6.599 0.000) 6.599 13.834 ( 0.000 -1.978 -0.000) 1.978 14.355 ( 0.000 -3.578 0.000) 3.578 14.911 ( 0.000 -5.719 -0.000) 5.719 15.313 ( 0.000 49.990 0.000) 49.990 15.318 ( -0.000 -16.552 -0.000) 16.552 15.930 ( 0.000 14.624 -0.000) 14.624 16.311 ( 0.000 15.310 -0.000) 15.310 17.513 ( 0.000 8.291 0.000) 8.291 17.656 ( 0.000 -4.226 -0.000) 4.226 17.748 ( -0.000 8.656 0.000) 8.656 17.850 ( 0.000 4.259 -0.000) 4.259 18.334 ( 0.000 -0.735 -0.000) 0.735 18.913 ( 0.000 -3.174 -0.000) 3.174 19.400 ( 0.000 12.744 -0.000) 12.744 20.706 ( 0.000 -2.681 0.000) 2.681 21.054 ( 0.000 -10.596 0.000) 10.596 23.203 ( 0.000 10.292 -0.000) 10.292 25.039 ( 0.000 4.904 0.000) 4.904 25.422 ( 0.000 -7.324 0.000) 7.324 26.041 ( 0.000 -2.458 0.000) 2.458 27.949 ( 0.000 -1.693 -0.000) 1.693 28.414 ( 0.000 -0.361 0.000) 0.361 ======================= Grid point 22 (13/128) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 21.179 0.000) 21.179 1.037 ( 0.000 24.674 0.000) 24.674 1.722 ( 0.000 -6.267 0.000) 6.267 2.213 ( 0.000 -2.937 0.000) 2.937 2.329 ( 0.000 34.778 0.000) 34.778 2.820 ( 0.000 7.971 0.000) 7.971 2.862 ( 0.000 6.466 0.000) 6.466 3.165 ( 0.000 44.489 0.000) 44.489 3.417 ( 0.000 8.562 0.000) 8.562 3.463 ( 0.000 -6.358 0.000) 6.358 3.633 ( 0.000 2.489 0.000) 2.489 3.790 ( 0.000 8.858 0.000) 8.858 4.101 ( 0.000 29.352 0.000) 29.352 4.331 ( 0.000 6.710 0.000) 6.710 4.441 ( 0.000 4.892 0.000) 4.892 4.455 ( 0.000 -1.510 0.000) 1.510 4.583 ( 0.000 4.819 0.000) 4.819 4.724 ( 0.000 0.251 0.000) 0.251 5.004 ( 0.000 -2.842 0.000) 2.842 5.277 ( 0.000 -1.036 0.000) 1.036 5.595 ( 0.000 2.178 0.000) 2.178 5.685 ( 0.000 -1.847 0.000) 1.847 5.795 ( 0.000 -5.792 0.000) 5.792 6.006 ( 0.000 -10.097 0.000) 10.097 6.212 ( 0.000 5.326 0.000) 5.326 6.287 ( 0.000 1.170 0.000) 1.170 6.872 ( 0.000 8.250 0.000) 8.250 6.891 ( 0.000 -6.690 0.000) 6.690 7.619 ( 0.000 -6.610 0.000) 6.610 7.658 ( 0.000 -8.819 0.000) 8.819 8.138 ( 0.000 -3.519 0.000) 3.519 8.344 ( 0.000 -9.181 0.000) 9.181 8.621 ( 0.000 -0.308 0.000) 0.308 8.749 ( 0.000 0.130 0.000) 0.130 9.032 ( 0.000 3.488 0.000) 3.488 9.235 ( 0.000 -2.978 0.000) 2.978 9.298 ( 0.000 -2.080 0.000) 2.080 9.530 ( 0.000 -11.822 0.000) 11.822 9.892 ( 0.000 12.281 0.000) 12.281 10.256 ( 0.000 -10.726 0.000) 10.726 10.545 ( 0.000 5.727 0.000) 5.727 10.719 ( 0.000 -4.937 0.000) 4.937 10.817 ( 0.000 -5.384 0.000) 5.384 11.181 ( 0.000 10.483 0.000) 10.483 11.386 ( 0.000 8.843 0.000) 8.843 11.521 ( 0.000 -10.476 0.000) 10.476 11.700 ( 0.000 4.443 0.000) 4.443 11.910 ( 0.000 -4.727 0.000) 4.727 12.038 ( 0.000 7.036 0.000) 7.036 12.214 ( 0.000 12.370 0.000) 12.370 12.442 ( 0.000 -8.173 0.000) 8.173 12.500 ( 0.000 18.544 0.000) 18.544 12.598 ( 0.000 -1.955 0.000) 1.955 13.099 ( 0.000 1.895 0.000) 1.895 13.359 ( 0.000 -1.416 0.000) 1.416 13.562 ( 0.000 -10.998 0.000) 10.998 13.871 ( 0.000 -6.560 0.000) 6.560 14.087 ( 0.000 -8.223 0.000) 8.223 14.373 ( 0.000 -0.467 0.000) 0.467 14.636 ( 0.000 -7.447 0.000) 7.447 15.455 ( 0.000 22.373 0.000) 22.373 16.563 ( 0.000 -14.451 0.000) 14.451 17.157 ( 0.000 41.605 0.000) 41.605 17.292 ( 0.000 22.599 0.000) 22.599 17.805 ( 0.000 2.301 0.000) 2.301 18.260 ( 0.000 4.211 0.000) 4.211 18.462 ( 0.000 -3.816 0.000) 3.816 19.030 ( 0.000 -14.742 0.000) 14.742 19.384 ( 0.000 19.518 0.000) 19.518 19.822 ( 0.000 5.562 0.000) 5.562 20.400 ( 0.000 -7.280 0.000) 7.280 20.954 ( 0.000 -17.164 0.000) 17.164 24.692 ( 0.000 11.378 0.000) 11.378 24.780 ( 0.000 12.895 0.000) 12.895 25.565 ( 0.000 -8.027 0.000) 8.027 25.573 ( 0.000 -9.937 0.000) 9.937 27.860 ( 0.000 4.454 0.000) 4.454 28.358 ( 0.000 -6.638 0.000) 6.638 ======================= Grid point 23 (14/128) ======================= q-point: ( 0.10 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 18.858 15.474 12.618) 27.464 1.291 ( 22.781 18.747 -3.666) 29.730 1.788 ( 6.167 -4.550 3.071) 8.256 2.291 ( 7.055 -5.134 3.606) 9.442 2.415 ( 8.936 35.305 2.519) 36.506 2.795 ( -2.665 6.848 -1.726) 7.548 2.859 ( -0.210 5.624 -2.037) 5.985 3.128 ( -3.803 34.594 -1.846) 34.852 3.288 ( -7.165 13.482 -1.510) 15.343 3.472 ( -9.968 7.089 -11.117) 16.529 3.555 ( 2.732 -2.984 7.645) 8.650 3.808 ( -1.683 7.681 9.667) 12.461 4.091 ( -3.666 26.501 -3.059) 26.928 4.157 ( -14.619 3.804 18.294) 23.724 4.293 ( -10.211 6.504 7.005) 13.987 4.388 ( -2.718 4.405 -2.226) 5.634 4.673 ( 4.837 5.340 -4.807) 8.661 4.871 ( 7.821 -1.743 -11.820) 14.280 4.998 ( 3.995 -3.450 -3.627) 6.405 5.251 ( -3.324 0.612 7.230) 7.981 5.672 ( 6.524 3.657 0.163) 7.481 5.750 ( 3.286 -6.607 -4.630) 8.712 5.823 ( 5.553 -2.063 -8.378) 10.261 6.004 ( -0.665 -12.183 5.753) 13.489 6.186 ( -1.639 4.082 -9.329) 10.314 6.301 ( 0.528 0.610 1.694) 1.877 6.803 ( -0.607 7.336 1.752) 7.567 7.055 ( 9.835 -2.757 -1.660) 10.348 7.623 ( 0.162 -6.608 3.629) 7.541 7.665 ( 1.487 -6.347 -2.660) 7.041 8.114 ( -3.359 -2.754 1.754) 4.684 8.315 ( -1.658 -5.249 2.687) 6.126 8.551 ( -4.827 6.972 1.725) 8.653 8.737 ( -5.823 -2.205 -2.990) 6.907 8.909 ( -0.418 0.443 1.015) 1.184 9.085 ( -5.181 -5.346 2.904) 7.992 9.404 ( 2.279 -1.069 -0.295) 2.534 9.815 ( 8.599 -7.085 2.055) 11.330 9.876 ( 3.896 10.060 -3.228) 11.261 10.235 ( 2.530 -5.213 1.542) 5.996 10.582 ( 1.779 4.003 -3.080) 5.355 10.710 ( -0.745 -3.901 -0.648) 4.024 10.884 ( 5.596 -2.705 2.333) 6.639 11.132 ( -4.124 2.737 4.319) 6.569 11.292 ( -3.602 11.962 4.126) 13.157 11.489 ( -3.103 -8.741 -2.776) 9.682 11.743 ( 2.186 5.876 2.492) 6.746 11.942 ( 0.028 1.256 3.617) 3.829 11.975 ( -2.501 0.260 -6.075) 6.575 12.175 ( -4.871 10.622 -2.009) 11.857 12.410 ( -0.469 -1.600 5.654) 5.894 12.606 ( 0.481 -0.697 -3.026) 3.142 12.720 ( 16.961 4.879 -8.319) 19.511 13.109 ( 1.131 0.089 -5.476) 5.593 13.333 ( -2.991 -0.335 -0.490) 3.049 13.532 ( -2.336 -10.389 0.915) 10.688 13.881 ( 1.188 -7.193 -3.821) 8.231 14.062 ( -2.346 -8.478 2.214) 9.071 14.382 ( 2.199 0.630 1.777) 2.897 14.718 ( 6.380 -9.546 -3.310) 11.949 15.505 ( 5.317 20.820 -0.574) 21.496 16.503 ( -5.455 -5.067 5.461) 9.233 17.180 ( 1.653 36.256 -11.840) 38.176 17.282 ( -0.997 22.040 1.693) 22.128 17.750 ( -4.921 3.757 8.375) 10.415 18.168 ( -9.247 4.799 5.779) 11.914 18.512 ( 4.988 -4.242 -7.370) 9.859 18.923 ( -11.274 -3.036 10.262) 15.545 19.086 ( -17.808 15.104 -11.343) 25.960 19.998 ( 8.092 5.940 -3.880) 10.762 20.430 ( 2.635 -7.625 -0.579) 8.088 20.939 ( -1.280 -16.048 1.147) 16.140 23.766 ( -36.848 40.830 -48.387) 73.254 25.324 ( -2.015 -14.192 -4.274) 14.958 25.596 ( 15.894 -8.355 46.780) 50.108 25.725 ( 6.190 -5.145 11.152) 13.753 27.868 ( 1.303 4.148 0.068) 4.349 28.367 ( 0.748 -6.567 0.782) 6.656 ======================= Grid point 24 (15/128) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 23.605 8.636 10.565) 27.265 1.750 ( 22.628 14.352 -2.647) 26.926 1.932 ( 7.904 -0.558 2.606) 8.341 2.435 ( 6.314 -6.646 4.983) 10.434 2.660 ( 8.856 21.975 5.001) 24.215 2.700 ( -3.052 7.971 -4.874) 9.829 2.870 ( 3.528 7.741 -3.835) 9.331 3.042 ( -3.280 11.213 -4.402) 12.485 3.181 ( -4.445 30.046 1.903) 30.433 3.283 ( -6.678 11.971 -8.180) 15.963 3.606 ( 0.472 -1.388 12.912) 12.995 3.737 ( -5.408 12.559 5.730) 14.826 3.823 ( -16.464 6.853 10.022) 20.456 3.962 ( -11.839 9.779 -1.217) 15.403 4.168 ( -3.704 20.250 4.203) 21.010 4.360 ( -0.277 3.777 0.016) 3.787 4.731 ( 1.519 2.783 -0.586) 3.224 4.946 ( 4.043 1.104 -9.088) 10.008 5.131 ( 1.437 -8.706 1.622) 8.972 5.208 ( 3.640 2.541 5.637) 7.175 5.754 ( -1.117 -5.890 -5.221) 7.949 5.817 ( 7.954 4.647 -6.370) 11.200 5.909 ( -1.059 -4.130 -0.867) 4.351 6.035 ( 5.746 -11.878 0.150) 13.195 6.146 ( -1.613 4.663 -10.157) 11.292 6.297 ( -0.853 -2.443 1.207) 2.855 6.855 ( 5.373 13.722 0.762) 14.756 7.225 ( 7.496 -3.889 -0.055) 8.445 7.636 ( 1.114 -6.635 4.155) 7.907 7.730 ( 5.174 -2.183 -2.321) 6.076 8.014 ( -5.805 2.237 3.451) 7.114 8.327 ( 1.662 -0.719 1.874) 2.606 8.514 ( 0.637 1.650 3.193) 3.650 8.614 ( -3.086 3.624 -3.179) 5.724 8.969 ( 2.768 -6.667 4.237) 8.371 9.046 ( 0.798 -2.113 -2.609) 3.451 9.384 ( -3.496 2.105 1.356) 4.300 9.665 ( -10.932 13.294 -5.278) 18.002 10.070 ( 6.323 -8.006 4.881) 11.309 10.376 ( 7.714 -3.890 -4.434) 9.711 10.553 ( -4.796 4.407 0.819) 6.565 10.683 ( -1.420 4.679 -3.082) 5.780 10.981 ( 6.589 -0.944 1.042) 6.737 11.168 ( 1.518 -7.318 5.515) 9.288 11.262 ( 1.951 7.965 1.861) 8.409 11.455 ( 1.276 -2.374 -2.915) 3.970 11.766 ( 0.030 9.912 4.557) 10.909 11.847 ( -5.773 9.048 -1.265) 10.807 11.940 ( -6.001 -1.534 0.212) 6.198 12.125 ( 2.818 -2.232 -2.632) 4.455 12.440 ( 1.981 2.688 5.075) 6.075 12.607 ( 0.220 1.074 -5.098) 5.214 12.972 ( 7.249 -1.449 -4.247) 8.525 13.123 ( 0.453 -3.434 -5.799) 6.755 13.254 ( -3.304 -1.275 -2.871) 4.559 13.509 ( -0.464 -9.988 1.548) 10.118 13.892 ( -0.347 -5.530 -4.830) 7.350 14.042 ( 1.807 -8.714 -0.448) 8.910 14.479 ( 7.509 -1.152 0.491) 7.613 14.813 ( 3.399 -9.910 -2.617) 10.799 15.652 ( 9.342 16.469 -0.640) 18.945 16.417 ( -2.582 11.804 5.038) 13.092 17.103 ( -8.919 27.383 -6.440) 29.511 17.310 ( 4.080 19.076 -0.000) 19.507 17.686 ( -1.569 7.672 5.774) 9.729 17.983 ( -8.852 7.044 9.965) 15.076 18.607 ( 3.227 -2.073 -6.353) 7.421 18.696 ( -9.588 13.922 7.015) 18.303 18.787 ( -13.460 0.855 -12.612) 18.465 20.034 ( -3.270 10.377 -1.645) 11.003 20.482 ( 2.796 -8.958 -1.294) 9.473 20.912 ( -1.902 -15.277 2.194) 15.550 23.334 ( -6.952 40.220 -24.343) 47.525 25.229 ( -3.679 -17.705 -10.552) 20.937 25.708 ( -6.613 -3.630 26.045) 27.116 25.845 ( 4.698 -3.743 10.364) 11.979 27.909 ( 2.141 2.452 4.573) 5.613 28.382 ( 0.617 -6.302 1.454) 6.497 ======================= Grid point 25 (16/128) ======================= q-point: ( 0.30 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 19.652 3.962 9.279) 22.091 2.063 ( 7.738 8.179 1.048) 11.308 2.136 ( 14.820 7.436 -4.354) 17.143 2.493 ( -4.595 3.457 -3.956) 6.980 2.557 ( 1.316 0.012 2.738) 3.038 2.734 ( -2.547 2.035 -3.947) 5.119 2.968 ( -0.041 9.616 -1.526) 9.736 3.032 ( -2.782 5.029 -5.191) 7.745 3.157 ( 2.081 37.505 3.326) 37.710 3.291 ( 10.163 8.702 3.507) 13.831 3.517 ( -12.197 5.939 12.815) 18.662 3.580 ( -6.684 4.866 1.213) 8.356 3.671 ( -2.446 8.799 6.874) 11.431 3.753 ( -6.303 19.607 -6.828) 21.698 4.108 ( -2.950 21.741 2.325) 22.063 4.378 ( 1.866 2.646 2.299) 3.971 4.719 ( -2.935 -1.420 2.155) 3.908 5.034 ( 5.401 -1.826 -8.843) 10.521 5.101 ( -1.699 1.778 12.216) 12.462 5.334 ( 6.097 -6.843 -3.708) 9.887 5.706 ( -3.337 -4.702 -0.698) 5.808 5.818 ( -5.829 -7.315 1.720) 9.510 5.960 ( 5.978 2.961 -9.087) 11.273 6.077 ( -2.580 3.143 -6.276) 7.479 6.171 ( 5.077 -2.915 -3.121) 6.634 6.286 ( -0.196 -5.154 1.742) 5.444 6.993 ( 8.727 15.427 -1.672) 17.803 7.340 ( 4.335 -2.742 1.401) 5.318 7.658 ( 0.023 -7.526 5.207) 9.152 7.827 ( 4.190 -1.109 -0.930) 4.433 7.939 ( -1.819 8.751 2.186) 9.201 8.300 ( -4.019 -1.537 0.932) 4.403 8.591 ( 6.983 -3.841 2.427) 8.331 8.672 ( 8.044 9.219 -4.438) 13.015 8.989 ( -0.772 -5.718 3.315) 6.654 9.083 ( 2.579 2.510 -3.177) 4.800 9.311 ( -3.453 1.974 2.500) 4.698 9.465 ( -9.062 15.658 -2.777) 18.303 10.139 ( 0.746 -9.422 1.641) 9.593 10.360 ( -6.817 -6.735 -6.200) 11.414 10.514 ( 0.598 8.974 1.448) 9.110 10.688 ( 1.755 -1.133 -2.859) 3.541 11.069 ( -4.318 -8.756 0.486) 9.775 11.136 ( 2.775 9.197 2.763) 9.996 11.340 ( 2.661 2.441 -0.337) 3.627 11.548 ( 7.335 3.305 -0.155) 8.047 11.722 ( -4.728 12.270 -3.393) 13.580 11.784 ( 1.117 7.204 3.997) 8.314 11.870 ( -0.504 2.074 3.586) 4.173 12.187 ( 1.808 -3.997 0.962) 4.491 12.477 ( 1.486 0.756 3.034) 3.462 12.622 ( 2.190 1.664 -5.522) 6.169 12.967 ( -4.923 -3.317 1.161) 6.048 13.132 ( 1.087 -5.293 -8.818) 10.342 13.234 ( -0.263 -5.430 -1.065) 5.540 13.487 ( -1.938 -10.305 2.453) 10.768 13.875 ( -0.371 -1.151 -3.596) 3.794 14.128 ( 5.981 -7.748 -4.968) 10.976 14.636 ( 7.311 -6.415 -0.362) 9.733 14.865 ( 3.273 -9.311 -1.018) 9.922 15.838 ( 9.904 14.815 -0.337) 17.824 16.431 ( 2.848 25.308 3.687) 25.733 16.901 ( -10.292 25.284 0.525) 27.304 17.411 ( 5.938 9.330 1.988) 11.236 17.683 ( 0.279 9.329 -0.689) 9.358 17.868 ( -3.917 9.661 8.750) 13.611 18.447 ( -12.553 9.238 4.860) 16.326 18.552 ( -8.851 12.743 -6.476) 16.813 18.728 ( 4.485 -6.558 -7.267) 10.767 19.917 ( -7.650 14.333 0.166) 16.247 20.535 ( 2.737 -10.622 -0.876) 11.003 20.861 ( -3.549 -15.755 1.696) 16.238 23.336 ( 5.855 31.350 -9.443) 33.260 25.183 ( -0.578 -18.491 -7.161) 19.838 25.512 ( -13.053 4.081 9.202) 16.484 25.911 ( 1.985 -4.578 4.350) 6.620 27.940 ( 0.494 1.550 6.114) 6.327 28.387 ( -0.302 -5.774 1.625) 6.006 ======================= Grid point 26 (17/128) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -2.035 3.253 0.065) 3.838 2.182 ( 3.486 2.497 -0.995) 4.402 2.360 ( 7.743 7.540 2.725) 11.146 2.530 ( 8.753 7.930 -1.582) 11.917 2.639 ( 6.536 0.862 1.357) 6.731 2.702 ( 0.320 1.430 -3.895) 4.162 2.900 ( -4.381 2.717 -3.206) 6.071 3.017 ( 1.413 8.595 -1.955) 8.927 3.168 ( -0.180 38.421 1.733) 38.461 3.320 ( -7.610 6.944 0.787) 10.332 3.353 ( -4.235 7.040 7.065) 10.836 3.449 ( -7.722 8.130 11.941) 16.380 3.544 ( -6.611 5.930 -10.164) 13.497 3.919 ( 12.103 21.878 0.919) 25.020 4.092 ( 5.348 17.098 1.600) 17.986 4.419 ( 1.681 4.404 2.297) 5.244 4.624 ( -7.366 -2.109 1.425) 7.793 5.061 ( -1.632 0.904 0.640) 1.972 5.142 ( 3.978 -2.568 1.621) 5.005 5.433 ( 4.882 -8.717 -5.326) 11.322 5.632 ( -4.394 -5.835 4.616) 8.640 5.715 ( -4.037 -5.792 -0.018) 7.060 5.994 ( -2.290 3.223 -4.904) 6.299 6.055 ( 1.843 4.712 -3.987) 6.442 6.243 ( 2.407 -1.653 -0.850) 3.041 6.292 ( 0.555 -7.071 0.190) 7.095 7.172 ( 9.437 12.294 -3.156) 15.817 7.387 ( 0.099 1.986 1.632) 2.572 7.638 ( -2.040 -5.832 4.807) 7.828 7.882 ( 1.768 -4.979 -0.020) 5.284 7.929 ( -0.266 10.431 1.715) 10.574 8.242 ( -1.431 6.128 -0.588) 6.320 8.725 ( 6.166 -5.750 0.886) 8.478 8.836 ( 5.451 -1.900 -3.722) 6.869 8.980 ( 2.418 5.263 -1.152) 5.906 9.122 ( 1.081 7.699 -0.614) 7.798 9.256 ( -3.557 9.622 0.058) 10.259 9.333 ( -3.477 8.725 4.277) 10.320 10.090 ( -4.723 -9.545 -5.357) 11.921 10.269 ( -1.956 -10.517 1.784) 10.845 10.505 ( -1.243 8.062 -1.283) 8.258 10.715 ( 1.019 -6.192 -2.137) 6.629 10.988 ( -2.644 -5.086 0.574) 5.761 11.134 ( -2.608 16.065 1.678) 16.362 11.355 ( -0.655 -2.713 0.435) 2.825 11.628 ( -1.022 11.251 -3.271) 11.761 11.725 ( 6.434 6.877 -1.733) 9.575 11.870 ( 2.268 2.910 2.753) 4.603 11.882 ( 5.071 10.935 3.690) 12.606 12.169 ( -3.770 1.631 2.902) 5.029 12.496 ( 0.187 -4.877 0.006) 4.881 12.688 ( 4.701 0.374 -2.827) 5.498 12.868 ( -4.919 -5.234 0.662) 7.214 13.136 ( 0.085 -9.410 -5.761) 11.034 13.212 ( -1.431 -6.817 1.002) 7.037 13.458 ( -1.080 -10.590 1.443) 10.742 13.874 ( 0.343 3.791 -2.770) 4.708 14.224 ( 3.900 -6.484 -3.843) 8.486 14.718 ( 1.711 -8.477 -0.746) 8.680 14.953 ( 4.691 -13.246 0.598) 14.065 16.043 ( 11.373 16.510 -0.618) 20.058 16.464 ( -1.496 28.593 2.585) 28.749 16.746 ( -5.256 33.143 1.641) 33.598 17.519 ( 4.207 -0.703 5.033) 6.597 17.684 ( -0.165 10.452 -3.791) 11.120 17.855 ( 2.474 9.733 3.777) 10.729 18.216 ( -11.169 10.159 1.638) 15.187 18.426 ( -4.087 14.831 -1.916) 15.503 18.792 ( 2.432 -7.216 -3.950) 8.578 19.777 ( -6.099 16.662 0.483) 17.750 20.586 ( 2.635 -9.900 0.017) 10.244 20.786 ( -4.000 -18.209 0.353) 18.646 23.462 ( 6.206 25.619 -2.191) 26.451 25.177 ( -0.171 -17.752 -3.303) 18.058 25.291 ( -8.725 8.909 1.055) 12.515 25.940 ( 0.903 -6.567 1.294) 6.753 27.943 ( -0.379 1.546 3.989) 4.295 28.377 ( -0.729 -5.216 1.041) 5.369 ======================= Grid point 27 (18/128) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 0.000 3.455 -0.000) 3.455 2.229 ( 0.000 1.488 0.000) 1.488 2.411 ( 0.000 7.036 -0.000) 7.036 2.639 ( 0.000 4.666 0.000) 4.666 2.700 ( 0.000 -2.116 -0.000) 2.116 2.770 ( 0.000 7.345 -0.000) 7.345 2.832 ( -0.000 0.444 -0.000) 0.444 3.039 ( 0.000 13.860 -0.000) 13.860 3.177 ( -0.000 33.467 0.000) 33.467 3.238 ( -0.000 14.524 0.000) 14.524 3.292 ( 0.000 9.582 -0.000) 9.582 3.354 ( 0.000 1.729 -0.000) 1.729 3.471 ( 0.000 7.641 0.000) 7.641 3.975 ( 0.000 26.725 -0.000) 26.725 4.306 ( -0.000 3.872 0.000) 3.872 4.442 ( -0.000 3.634 -0.000) 3.634 4.465 ( 0.000 4.196 0.000) 4.196 5.040 ( 0.000 2.357 -0.000) 2.357 5.185 ( 0.000 -5.375 0.000) 5.375 5.498 ( 0.000 -10.605 -0.000) 10.605 5.570 ( -0.000 -5.468 0.000) 5.468 5.677 ( 0.000 -4.627 -0.000) 4.627 5.962 ( 0.000 4.571 -0.000) 4.571 6.073 ( 0.000 3.289 0.000) 3.289 6.264 ( 0.000 -0.133 0.000) 0.133 6.299 ( 0.000 -8.055 0.000) 8.055 7.311 ( 0.000 3.120 -0.000) 3.120 7.346 ( 0.000 12.068 0.000) 12.068 7.616 ( 0.000 -4.641 0.000) 4.641 7.897 ( 0.000 -8.658 0.000) 8.658 7.926 ( 0.000 10.152 -0.000) 10.152 8.233 ( 0.000 11.763 0.000) 11.763 8.812 ( 0.000 -9.606 0.000) 9.606 8.835 ( 0.000 -4.635 -0.000) 4.635 9.062 ( 0.000 -0.432 -0.000) 0.432 9.125 ( -0.000 17.602 0.000) 17.602 9.190 ( 0.000 20.474 0.000) 20.474 9.319 ( -0.000 2.208 0.000) 2.208 10.029 ( 0.000 -10.616 0.000) 10.616 10.255 ( 0.000 -13.864 0.000) 13.864 10.487 ( 0.000 9.113 0.000) 9.113 10.725 ( 0.000 -7.367 -0.000) 7.367 10.966 ( 0.000 -6.931 -0.000) 6.931 11.099 ( 0.000 20.547 0.000) 20.547 11.346 ( -0.000 -3.403 -0.000) 3.403 11.612 ( 0.000 11.890 0.000) 11.890 11.824 ( 0.000 9.839 0.000) 9.839 11.838 ( 0.000 3.095 -0.000) 3.095 12.026 ( 0.000 11.786 -0.000) 11.786 12.074 ( 0.000 2.777 0.000) 2.777 12.494 ( 0.000 -8.017 0.000) 8.017 12.769 ( -0.000 6.868 0.000) 6.868 12.789 ( 0.000 -13.208 -0.000) 13.208 13.133 ( 0.000 -11.650 -0.000) 11.650 13.199 ( 0.000 -6.916 0.000) 6.916 13.448 ( 0.000 -10.786 -0.000) 10.786 13.877 ( 0.000 5.758 -0.000) 5.758 14.261 ( 0.000 -5.895 0.000) 5.895 14.731 ( 0.000 -8.397 -0.000) 8.397 15.002 ( 0.000 -15.688 -0.000) 15.688 16.202 ( 0.000 13.306 -0.000) 13.306 16.403 ( 0.000 29.042 -0.000) 29.042 16.702 ( 0.000 41.500 -0.000) 41.500 17.565 ( 0.000 -5.157 0.000) 5.157 17.673 ( 0.000 13.159 -0.000) 13.159 17.932 ( -0.000 4.160 0.000) 4.160 18.065 ( 0.000 15.147 0.000) 15.147 18.387 ( 0.000 14.204 -0.000) 14.204 18.813 ( 0.000 -7.475 -0.000) 7.475 19.713 ( 0.000 17.725 0.000) 17.725 20.621 ( 0.000 -6.270 0.000) 6.270 20.736 ( 0.000 -22.521 0.000) 22.521 23.527 ( 0.000 23.737 -0.000) 23.737 25.158 ( 0.000 -6.762 0.000) 6.762 25.219 ( 0.000 0.040 0.000) 0.040 25.949 ( 0.000 -7.535 0.000) 7.535 27.940 ( 0.000 1.643 -0.000) 1.643 28.369 ( 0.000 -4.976 0.000) 4.976 ======================= Grid point 33 (19/128) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 16.304 0.000) 16.304 1.494 ( 0.000 22.637 0.000) 22.637 1.551 ( 0.000 -11.369 0.000) 11.369 1.903 ( 0.000 -19.534 0.000) 19.534 2.838 ( 0.000 7.141 0.000) 7.141 2.884 ( 0.000 0.165 0.000) 0.165 3.050 ( 0.000 16.702 0.000) 16.702 3.309 ( 0.000 -10.031 0.000) 10.031 3.540 ( 0.000 5.774 0.000) 5.774 3.615 ( 0.000 -2.661 0.000) 2.661 3.932 ( 0.000 29.485 0.000) 29.485 4.092 ( 0.000 20.644 0.000) 20.644 4.308 ( 0.000 -8.729 0.000) 8.729 4.391 ( 0.000 -8.108 0.000) 8.108 4.534 ( 0.000 3.871 0.000) 3.871 4.548 ( 0.000 4.017 0.000) 4.017 4.742 ( 0.000 3.079 0.000) 3.079 4.877 ( 0.000 11.195 0.000) 11.195 4.886 ( 0.000 11.562 0.000) 11.562 5.277 ( 0.000 -0.628 0.000) 0.628 5.471 ( 0.000 -11.140 0.000) 11.140 5.504 ( 0.000 -15.696 0.000) 15.696 5.780 ( 0.000 0.147 0.000) 0.147 5.799 ( 0.000 -4.903 0.000) 4.903 6.331 ( 0.000 2.782 0.000) 2.782 6.345 ( 0.000 3.351 0.000) 3.351 6.874 ( 0.000 5.401 0.000) 5.401 6.967 ( 0.000 -0.312 0.000) 0.312 7.524 ( 0.000 -2.450 0.000) 2.450 7.533 ( 0.000 -3.595 0.000) 3.595 8.074 ( 0.000 -1.923 0.000) 1.923 8.136 ( 0.000 -9.050 0.000) 9.050 8.676 ( 0.000 4.784 0.000) 4.784 8.742 ( 0.000 -1.378 0.000) 1.378 9.122 ( 0.000 4.374 0.000) 4.374 9.172 ( 0.000 -2.862 0.000) 2.862 9.232 ( 0.000 -1.952 0.000) 1.952 9.314 ( 0.000 -9.051 0.000) 9.051 10.049 ( 0.000 3.856 0.000) 3.856 10.111 ( 0.000 -4.380 0.000) 4.380 10.643 ( 0.000 -0.086 0.000) 0.086 10.645 ( 0.000 -2.061 0.000) 2.061 10.832 ( 0.000 12.242 0.000) 12.242 11.134 ( 0.000 -14.875 0.000) 14.875 11.506 ( 0.000 7.678 0.000) 7.678 11.557 ( 0.000 5.355 0.000) 5.355 11.800 ( 0.000 4.766 0.000) 4.766 11.834 ( 0.000 -1.914 0.000) 1.914 12.063 ( 0.000 -2.188 0.000) 2.188 12.146 ( 0.000 -10.578 0.000) 10.578 12.547 ( 0.000 10.007 0.000) 10.007 12.623 ( 0.000 1.762 0.000) 1.762 12.855 ( 0.000 18.169 0.000) 18.169 13.129 ( 0.000 -4.005 0.000) 4.005 13.251 ( 0.000 -4.226 0.000) 4.226 13.354 ( 0.000 -9.851 0.000) 9.851 13.824 ( 0.000 2.062 0.000) 2.062 13.926 ( 0.000 -7.683 0.000) 7.683 14.396 ( 0.000 3.180 0.000) 3.180 14.494 ( 0.000 -6.687 0.000) 6.687 15.875 ( 0.000 20.767 0.000) 20.767 16.249 ( 0.000 -17.956 0.000) 17.956 17.632 ( 0.000 10.993 0.000) 10.993 17.701 ( 0.000 5.819 0.000) 5.819 17.992 ( 0.000 22.068 0.000) 22.068 18.327 ( 0.000 -9.929 0.000) 9.929 18.418 ( 0.000 11.321 0.000) 11.321 18.714 ( 0.000 -17.190 0.000) 17.190 19.766 ( 0.000 18.517 0.000) 18.517 19.969 ( 0.000 3.775 0.000) 3.775 20.271 ( 0.000 0.128 0.000) 0.128 20.563 ( 0.000 -21.979 0.000) 21.979 24.943 ( 0.000 13.204 0.000) 13.204 25.018 ( 0.000 9.137 0.000) 9.137 25.358 ( 0.000 -9.879 0.000) 9.879 25.386 ( 0.000 -9.563 0.000) 9.563 27.993 ( 0.000 9.214 0.000) 9.214 28.190 ( 0.000 -10.300 0.000) 10.300 ======================= Grid point 34 (20/128) ======================= q-point: ( 0.10 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 12.722 13.084 6.734) 19.452 1.599 ( 10.520 1.844 0.516) 10.693 1.711 ( 14.475 7.710 4.431) 16.988 2.020 ( 10.750 -16.660 3.336) 20.106 2.835 ( -0.638 3.780 -1.934) 4.293 2.854 ( -3.115 0.659 -2.616) 4.121 3.058 ( 1.423 15.873 -0.467) 15.943 3.253 ( -5.272 -4.182 -5.722) 8.833 3.512 ( -3.258 1.416 7.208) 8.036 3.536 ( -5.878 -0.291 -0.056) 5.886 3.922 ( -1.117 28.658 0.569) 28.686 4.018 ( -7.805 11.858 10.776) 17.823 4.158 ( -15.365 -3.255 15.124) 21.804 4.313 ( -2.021 -10.004 -0.057) 10.206 4.462 ( -4.474 15.462 -3.408) 16.454 4.693 ( 5.200 12.241 -8.956) 16.034 4.778 ( 3.515 -8.615 -7.169) 11.746 4.853 ( -0.465 -7.478 -3.021) 8.079 4.910 ( 2.955 25.768 -0.857) 25.951 5.287 ( 0.144 -0.164 6.043) 6.047 5.516 ( 3.539 -11.349 3.089) 12.283 5.580 ( 5.336 -18.329 2.078) 19.203 5.781 ( 1.651 0.861 -2.921) 3.464 5.822 ( 2.795 -2.632 -4.280) 5.750 6.300 ( -1.930 4.629 -3.477) 6.103 6.338 ( -1.173 1.141 -1.977) 2.567 6.929 ( 5.643 7.602 -2.456) 9.781 7.043 ( 6.729 -2.007 -3.666) 7.921 7.535 ( 1.102 -1.502 2.465) 3.090 7.563 ( 3.189 -3.822 -0.853) 5.051 8.074 ( -0.206 -0.667 3.052) 3.131 8.145 ( 1.099 -8.451 3.263) 9.125 8.666 ( -2.377 6.829 1.645) 7.416 8.769 ( 2.331 0.496 -0.403) 2.417 8.871 ( -13.189 -1.539 1.304) 13.342 8.959 ( -6.920 -7.150 -0.252) 9.954 9.430 ( 8.302 5.500 0.593) 9.977 9.600 ( 12.669 -11.168 2.979) 17.149 10.069 ( 1.659 6.111 -6.009) 8.729 10.151 ( 5.239 -3.610 -2.819) 6.959 10.674 ( 4.978 1.598 0.442) 5.246 10.712 ( 3.359 3.571 2.234) 5.388 10.819 ( 1.559 3.314 1.200) 3.854 11.056 ( -7.628 -12.682 0.055) 14.799 11.445 ( -6.384 6.832 -2.046) 9.572 11.502 ( -2.731 4.094 0.801) 4.986 11.825 ( 1.698 0.486 -2.328) 2.922 11.867 ( 2.907 -3.337 0.643) 4.472 12.017 ( -1.986 5.734 4.054) 7.298 12.212 ( 2.097 -10.351 6.412) 12.355 12.489 ( -3.760 11.937 0.885) 12.547 12.630 ( -0.044 -1.030 -2.259) 2.483 12.914 ( 5.250 13.463 -6.057) 15.668 13.117 ( -1.044 -3.111 -3.578) 4.855 13.270 ( 1.341 -3.064 -4.889) 5.924 13.343 ( -0.812 -8.211 -2.665) 8.671 13.807 ( -0.897 0.615 0.065) 1.089 13.897 ( -2.528 -7.706 2.267) 8.421 14.426 ( 3.115 4.299 0.188) 5.312 14.546 ( 4.490 -7.900 -1.279) 9.176 15.898 ( 2.513 19.572 -0.406) 19.737 16.251 ( 0.511 -16.794 0.453) 16.808 17.599 ( -3.751 9.613 4.583) 11.291 17.657 ( -4.615 4.565 3.088) 7.188 18.003 ( 1.400 23.601 1.219) 23.674 18.299 ( -4.795 1.415 2.255) 5.485 18.414 ( 2.123 0.562 -6.931) 7.270 18.662 ( -5.166 -16.169 -1.725) 17.062 19.580 ( -12.828 28.365 2.571) 31.237 20.021 ( 0.773 -11.487 0.321) 11.518 20.329 ( 4.685 4.382 -1.659) 6.626 20.587 ( 1.708 -18.514 0.450) 18.598 24.453 ( -23.435 31.314 -30.533) 49.618 24.976 ( -12.044 -22.650 -18.355) 31.543 25.539 ( 14.373 1.715 30.537) 33.794 25.619 ( 10.052 -5.523 18.008) 21.350 28.000 ( 0.758 9.264 0.146) 9.296 28.198 ( 0.767 -10.372 0.585) 10.416 ======================= Grid point 35 (21/128) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 18.356 7.749 6.045) 20.822 1.854 ( 14.383 -3.913 1.691) 15.001 2.029 ( 16.416 11.676 4.359) 20.611 2.252 ( 11.402 -11.002 6.015) 16.948 2.753 ( -6.652 2.639 -6.061) 9.378 2.794 ( -3.167 -1.305 -6.271) 7.146 3.108 ( 1.436 5.839 -4.255) 7.367 3.132 ( -5.405 3.114 -3.740) 7.273 3.400 ( -3.492 7.604 5.369) 9.941 3.514 ( -0.037 -3.406 15.222) 15.598 3.838 ( -9.703 2.798 6.332) 11.919 3.866 ( -14.753 -0.297 6.485) 16.118 3.903 ( -1.625 25.761 2.981) 25.983 4.267 ( -3.137 -7.067 2.739) 8.203 4.380 ( -3.118 20.848 -3.292) 21.335 4.669 ( -4.191 9.017 -0.291) 9.948 4.810 ( -0.714 6.784 -0.743) 6.862 4.916 ( 5.470 -2.080 -11.525) 12.926 4.995 ( 5.780 5.144 -5.884) 9.720 5.281 ( -1.395 -0.341 9.701) 9.807 5.561 ( 0.271 -11.292 1.677) 11.419 5.621 ( -1.379 -17.696 6.195) 18.799 5.872 ( 7.233 2.235 -4.976) 9.060 5.919 ( 7.144 -2.698 -5.780) 9.577 6.265 ( -1.390 4.973 -4.774) 7.032 6.303 ( -2.086 0.694 -1.295) 2.551 7.058 ( 7.344 8.260 -5.541) 12.363 7.172 ( 6.441 -3.279 -4.835) 8.696 7.571 ( 2.137 0.929 3.829) 4.482 7.650 ( 5.236 -5.524 0.283) 7.616 8.080 ( 1.084 4.226 4.938) 6.589 8.192 ( 3.281 -7.847 4.246) 9.506 8.578 ( -4.714 5.798 3.006) 8.054 8.696 ( -4.566 -1.635 -0.100) 4.851 8.843 ( 4.457 -1.116 0.719) 4.651 8.943 ( 3.262 -7.426 -3.033) 8.660 9.502 ( 0.200 9.692 2.219) 9.945 9.703 ( -0.389 -9.127 0.961) 9.185 10.082 ( -0.544 8.499 -5.184) 9.970 10.246 ( 2.125 -7.986 -7.557) 11.199 10.680 ( -3.606 8.862 1.287) 9.654 10.826 ( 2.574 8.399 -0.805) 8.821 10.888 ( 0.500 -8.552 0.298) 8.572 11.016 ( 11.977 -8.263 4.270) 15.164 11.357 ( -0.760 4.928 0.001) 4.986 11.453 ( -1.449 -2.200 -1.142) 2.871 11.847 ( 1.012 1.976 -2.186) 3.116 11.936 ( 3.825 -4.646 0.038) 6.018 12.003 ( -0.303 11.720 7.171) 13.743 12.171 ( -5.907 0.061 4.179) 7.236 12.466 ( 0.652 5.110 4.760) 7.014 12.613 ( -1.373 -4.340 -1.962) 4.957 12.987 ( 1.449 4.833 -3.953) 6.410 13.090 ( -0.997 -2.927 -8.475) 9.021 13.250 ( -3.163 1.483 -4.495) 5.693 13.331 ( -0.679 -7.143 -1.840) 7.407 13.818 ( 2.201 -1.018 -2.778) 3.688 13.880 ( 2.349 -6.960 -1.022) 7.416 14.505 ( 4.629 4.079 -0.052) 6.170 14.630 ( 3.780 -8.482 -0.979) 9.338 15.979 ( 6.163 17.033 -0.584) 18.123 16.290 ( 4.003 -14.437 0.318) 14.985 17.482 ( -8.572 9.576 9.485) 15.974 17.561 ( -5.014 1.646 6.548) 8.410 18.048 ( 2.740 23.742 -1.264) 23.933 18.186 ( -5.509 11.187 2.375) 12.694 18.477 ( 4.149 -8.812 -8.793) 13.122 18.526 ( -8.158 -12.458 -2.773) 15.147 19.365 ( -9.384 37.939 2.078) 39.137 20.004 ( -1.855 -21.806 1.172) 21.916 20.382 ( 0.431 5.851 -1.651) 6.094 20.602 ( -0.610 -14.905 1.401) 14.984 24.112 ( -9.486 38.776 -19.525) 44.438 24.776 ( -6.314 -29.333 -14.519) 33.333 25.695 ( 0.062 2.029 18.092) 18.206 25.763 ( 3.636 -4.400 12.563) 13.799 28.021 ( 1.071 8.796 2.286) 9.151 28.216 ( 0.803 -10.372 1.649) 10.533 ======================= Grid point 36 (22/128) ======================= q-point: ( 0.30 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 14.291 2.292 4.245) 15.084 2.098 ( 9.571 -0.179 1.287) 9.659 2.309 ( 11.654 7.640 3.178) 14.293 2.437 ( 7.638 -5.794 5.014) 10.819 2.639 ( -2.453 6.143 -7.615) 10.087 2.735 ( -1.261 -2.839 -9.428) 9.927 3.010 ( -6.055 1.893 -1.117) 6.441 3.056 ( -5.495 -1.877 -3.168) 6.615 3.435 ( 0.490 5.941 16.965) 17.982 3.510 ( -3.811 -1.357 24.338) 24.671 3.642 ( -5.676 3.693 -8.686) 11.014 3.692 ( -4.405 -1.081 -10.318) 11.271 3.888 ( -0.029 26.337 2.872) 26.493 4.196 ( -3.783 4.063 5.592) 7.880 4.366 ( 2.050 8.762 -0.971) 9.051 4.580 ( -4.797 2.975 1.370) 5.809 4.777 ( -2.215 21.198 2.599) 21.471 5.006 ( 4.800 0.377 -11.942) 12.876 5.093 ( 4.416 -2.826 -7.591) 9.226 5.258 ( -1.379 -5.871 8.560) 10.471 5.533 ( -2.898 -11.115 2.324) 11.720 5.573 ( -3.817 -11.219 7.160) 13.845 6.000 ( 5.630 1.683 -5.166) 7.824 6.042 ( 5.135 -2.957 -3.984) 7.140 6.236 ( -1.057 4.485 -4.252) 6.269 6.267 ( -1.306 0.544 0.565) 1.524 7.189 ( 6.700 6.470 -6.611) 11.422 7.281 ( 5.438 -3.624 -3.814) 7.566 7.609 ( 1.079 2.760 4.587) 5.461 7.727 ( 2.059 -7.688 1.916) 8.187 8.129 ( 2.640 9.331 4.080) 10.521 8.255 ( 2.690 -3.694 2.314) 5.122 8.562 ( 3.426 2.042 1.681) 4.328 8.667 ( 1.042 -6.983 0.196) 7.063 8.935 ( 4.858 2.152 -0.441) 5.332 9.029 ( 5.469 -6.279 -0.318) 8.333 9.489 ( -0.873 12.723 0.920) 12.786 9.655 ( -3.654 -0.513 -4.072) 5.495 10.032 ( -4.055 2.160 -0.979) 4.698 10.184 ( -6.938 -10.075 -7.146) 14.167 10.630 ( -1.586 3.278 0.620) 3.694 10.705 ( -5.952 -1.548 0.269) 6.156 11.002 ( 1.410 6.382 -1.363) 6.677 11.195 ( 4.320 -8.037 -0.677) 9.149 11.413 ( 5.840 8.511 1.605) 10.446 11.550 ( 11.769 -3.717 1.318) 12.412 11.868 ( 1.222 6.398 -1.854) 6.773 11.989 ( 0.375 9.221 2.153) 9.476 12.014 ( 1.401 0.313 3.591) 3.868 12.073 ( -2.335 1.640 2.863) 4.043 12.477 ( -0.797 0.005 7.045) 7.090 12.579 ( -2.038 -7.518 0.188) 7.792 12.956 ( -3.508 4.021 -2.428) 5.863 13.056 ( -2.198 -4.092 -11.480) 12.384 13.180 ( -3.123 1.343 -0.074) 3.400 13.291 ( -2.876 -8.954 0.796) 9.438 13.887 ( 5.023 2.567 -4.393) 7.150 13.981 ( 6.911 -6.860 -5.978) 11.426 14.587 ( 3.479 1.569 0.061) 3.817 14.686 ( 2.342 -8.062 -0.016) 8.395 16.132 ( 9.517 15.271 -0.331) 17.997 16.406 ( 7.325 -12.158 0.123) 14.194 17.336 ( -6.287 12.700 9.357) 16.981 17.485 ( -3.316 -3.440 7.840) 9.181 18.070 ( -1.519 16.673 0.874) 16.765 18.126 ( -0.179 16.996 -1.253) 17.043 18.363 ( -7.932 -4.723 -2.031) 9.452 18.546 ( 3.303 -12.766 -6.915) 14.890 19.216 ( -6.452 44.063 0.972) 44.543 19.958 ( -3.018 -23.457 0.863) 23.666 20.358 ( -2.047 3.860 -1.269) 4.550 20.564 ( -3.200 -13.582 1.722) 14.059 24.026 ( 0.484 37.872 -9.434) 39.032 24.706 ( -0.641 -30.907 -8.430) 32.042 25.631 ( -6.337 7.865 6.820) 12.187 25.789 ( -1.012 -7.801 5.378) 9.529 28.037 ( 0.218 8.271 3.591) 9.020 28.227 ( 0.059 -10.222 2.240) 10.465 ======================= Grid point 37 (23/128) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.176 1.038 0.534) 1.180 2.210 ( 2.254 0.295 1.300) 2.619 2.479 ( 5.599 5.246 1.296) 7.781 2.574 ( 4.671 -4.552 1.358) 6.662 2.677 ( 5.234 6.289 -5.572) 9.899 2.749 ( 3.207 -0.142 -5.999) 6.804 2.915 ( -2.334 2.533 1.939) 3.953 3.000 ( 0.695 -4.804 1.990) 5.246 3.365 ( -5.781 1.939 7.990) 10.051 3.392 ( -6.698 -0.133 6.802) 9.546 3.583 ( -3.703 5.978 -3.515) 7.862 3.633 ( -3.306 1.278 -3.967) 5.320 3.921 ( 2.041 27.194 1.535) 27.313 4.190 ( 3.701 2.207 4.265) 6.063 4.433 ( 3.798 0.399 0.185) 3.823 4.494 ( -4.177 1.785 1.425) 4.760 4.738 ( -1.960 28.618 2.126) 28.764 5.074 ( 3.105 2.022 -9.935) 10.604 5.138 ( 0.751 -1.380 -0.282) 1.597 5.267 ( 2.098 -13.414 -1.180) 13.629 5.471 ( -3.340 -10.661 3.626) 11.745 5.498 ( -4.147 -7.658 6.731) 11.007 6.055 ( 0.546 2.932 -3.887) 4.900 6.098 ( 1.431 -1.295 -2.114) 2.863 6.232 ( 0.749 2.424 -1.672) 3.038 6.259 ( 0.336 -0.124 0.753) 0.833 7.302 ( 5.266 4.041 -5.275) 8.479 7.369 ( 3.615 -3.001 -1.990) 5.103 7.616 ( -0.505 3.399 3.689) 5.041 7.738 ( -0.577 -8.161 2.191) 8.469 8.145 ( -0.799 10.933 1.679) 11.090 8.310 ( 2.324 -3.628 1.247) 4.485 8.669 ( 5.816 0.901 0.288) 5.893 8.724 ( 4.267 -4.578 -0.151) 6.260 9.025 ( 4.037 3.685 0.542) 5.493 9.137 ( 5.188 -6.186 1.929) 8.301 9.481 ( -0.086 13.374 -2.498) 13.606 9.574 ( -3.777 7.006 -3.145) 8.558 9.929 ( -6.402 -4.092 -2.943) 8.148 10.037 ( -5.971 -11.834 0.157) 13.256 10.610 ( -0.800 0.468 -0.876) 1.275 10.628 ( -2.129 -1.756 -0.014) 2.760 10.984 ( -1.647 7.790 -0.817) 8.004 11.199 ( -1.384 -11.519 -1.047) 11.649 11.539 ( 4.353 20.048 2.299) 20.643 11.774 ( 9.652 -2.126 -0.728) 9.910 11.865 ( -1.061 10.050 -1.972) 10.297 12.010 ( 2.247 6.411 -0.032) 6.793 12.041 ( 0.411 2.517 5.967) 6.489 12.112 ( 6.058 -1.850 -1.396) 6.486 12.427 ( -5.307 -1.949 6.437) 8.567 12.532 ( -2.843 -12.419 2.061) 12.906 12.891 ( -2.044 5.044 -1.569) 5.664 12.992 ( -3.055 -5.320 -8.186) 10.230 13.137 ( -1.329 0.634 0.711) 1.635 13.250 ( -1.358 -9.797 0.635) 9.911 13.974 ( 3.628 5.849 -3.502) 7.722 14.094 ( 4.682 -6.689 -4.545) 9.344 14.631 ( 1.250 0.133 0.211) 1.274 14.726 ( 1.718 -9.197 0.591) 9.375 16.321 ( 9.132 12.850 0.056) 15.764 16.522 ( 3.537 -7.023 0.473) 7.878 17.283 ( -0.031 13.326 5.342) 14.357 17.454 ( -0.497 -6.099 4.520) 7.608 18.028 ( -1.912 8.743 1.683) 9.106 18.120 ( -1.611 11.928 -1.063) 12.083 18.237 ( -4.334 10.251 -1.040) 11.178 18.590 ( 1.701 -14.460 -3.787) 15.044 19.117 ( -3.728 47.681 -0.007) 47.827 19.898 ( -2.815 -20.139 0.406) 20.339 20.325 ( -0.986 -2.071 -0.885) 2.458 20.497 ( -3.344 -11.944 1.133) 12.455 24.064 ( 2.799 34.831 -3.073) 35.078 24.710 ( 0.989 -30.140 -3.474) 30.355 25.513 ( -5.261 13.139 1.057) 14.192 25.761 ( -1.585 -11.722 1.235) 11.893 28.037 ( -0.316 8.092 2.565) 8.495 28.224 ( -0.409 -9.997 1.574) 10.128 ======================= Grid point 38 (24/128) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 0.000 3.049 -0.000) 3.049 2.230 ( 0.000 -1.162 0.000) 1.162 2.516 ( 0.000 4.839 -0.000) 4.839 2.613 ( 0.000 -5.181 0.000) 5.181 2.731 ( 0.000 4.385 -0.000) 4.385 2.800 ( 0.000 -2.721 -0.000) 2.721 2.916 ( 0.000 7.152 -0.000) 7.152 3.031 ( 0.000 -4.421 -0.000) 4.421 3.312 ( 0.000 -0.294 0.000) 0.294 3.313 ( -0.000 -0.270 -0.000) 0.270 3.530 ( 0.000 8.465 -0.000) 8.465 3.579 ( 0.000 3.108 0.000) 3.108 3.937 ( 0.000 28.294 0.000) 28.294 4.268 ( -0.000 -6.908 -0.000) 6.908 4.435 ( 0.000 5.174 0.000) 5.174 4.477 ( 0.000 -2.104 -0.000) 2.104 4.716 ( 0.000 31.978 0.000) 31.978 5.102 ( 0.000 4.289 -0.000) 4.289 5.142 ( 0.000 -2.118 0.000) 2.118 5.299 ( 0.000 -15.747 -0.000) 15.747 5.435 ( 0.000 -11.044 -0.000) 11.044 5.452 ( -0.000 -5.914 0.000) 5.914 6.051 ( 0.000 4.280 -0.000) 4.280 6.108 ( 0.000 -1.208 -0.000) 1.208 6.241 ( 0.000 1.520 -0.000) 1.520 6.266 ( 0.000 -0.324 0.000) 0.324 7.358 ( 0.000 2.337 0.000) 2.337 7.404 ( 0.000 -1.852 0.000) 1.852 7.609 ( 0.000 3.570 0.000) 3.570 7.729 ( 0.000 -8.163 0.000) 8.163 8.134 ( 0.000 11.198 -0.000) 11.198 8.332 ( 0.000 -6.439 0.000) 6.439 8.735 ( 0.000 2.714 0.000) 2.714 8.777 ( 0.000 -1.737 -0.000) 1.737 9.067 ( 0.000 4.683 -0.000) 4.683 9.198 ( 0.000 -5.374 0.000) 5.374 9.475 ( 0.000 10.050 0.000) 10.050 9.536 ( 0.000 9.871 -0.000) 9.871 9.844 ( 0.000 -4.644 0.000) 4.644 9.982 ( 0.000 -13.524 0.000) 13.524 10.597 ( 0.000 0.914 0.000) 0.914 10.614 ( 0.000 -2.996 -0.000) 2.996 10.964 ( 0.000 8.109 0.000) 8.109 11.182 ( 0.000 -11.746 -0.000) 11.746 11.576 ( 0.000 24.423 0.000) 24.423 11.845 ( 0.000 11.543 -0.000) 11.543 11.887 ( 0.000 -6.013 0.000) 6.013 12.025 ( -0.000 15.229 0.000) 15.229 12.047 ( 0.000 -6.692 -0.000) 6.692 12.253 ( 0.000 11.252 -0.000) 11.252 12.305 ( -0.000 -11.871 0.000) 11.871 12.499 ( 0.000 -15.616 0.000) 15.616 12.878 ( 0.000 4.154 -0.000) 4.154 12.952 ( 0.000 -5.300 0.000) 5.300 13.126 ( 0.000 0.588 0.000) 0.588 13.237 ( 0.000 -9.850 -0.000) 9.850 14.008 ( 0.000 7.037 -0.000) 7.037 14.139 ( 0.000 -6.602 0.000) 6.602 14.642 ( 0.000 0.040 -0.000) 0.040 14.744 ( 0.000 -10.146 -0.000) 10.146 16.427 ( 0.000 9.526 -0.000) 9.526 16.543 ( 0.000 -1.653 -0.000) 1.653 17.298 ( 0.000 12.801 0.000) 12.801 17.457 ( 0.000 -6.226 -0.000) 6.226 18.015 ( -0.000 4.480 -0.000) 4.480 18.083 ( 0.000 2.348 0.000) 2.348 18.201 ( 0.000 23.648 0.000) 23.648 18.605 ( 0.000 -15.014 -0.000) 15.014 19.080 ( 0.000 48.875 -0.000) 48.875 19.868 ( 0.000 -17.974 0.000) 17.974 20.317 ( 0.000 -6.137 0.000) 6.137 20.461 ( 0.000 -10.272 0.000) 10.272 24.094 ( 0.000 33.333 -0.000) 33.333 24.720 ( 0.000 -29.436 0.000) 29.436 25.459 ( 0.000 15.187 0.000) 15.187 25.745 ( 0.000 -13.430 0.000) 13.430 28.034 ( 0.000 8.051 -0.000) 8.051 28.219 ( 0.000 -9.873 0.000) 9.873 ======================= Grid point 77 (25/128) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 4.307 0.000 22.057) 22.474 0.510 ( -15.747 0.000 25.211) 29.724 0.967 ( -0.153 0.000 1.741) 1.748 0.980 ( 18.456 0.000 47.720) 51.165 1.977 ( 2.261 0.000 7.956) 8.271 2.230 ( -0.515 0.000 -7.349) 7.367 2.379 ( 3.826 0.000 -12.528) 13.099 2.810 ( -1.185 0.000 -1.574) 1.970 3.123 ( -9.575 0.000 -21.379) 23.425 3.294 ( 0.812 0.000 -2.136) 2.286 3.587 ( 11.546 0.000 -1.515) 11.645 3.603 ( 1.778 0.000 -3.674) 4.081 3.853 ( -3.975 0.000 -0.170) 3.979 4.136 ( 3.340 0.000 -5.212) 6.191 4.180 ( -4.497 0.000 -3.896) 5.951 4.305 ( -8.690 0.000 -6.460) 10.828 4.507 ( 9.701 0.000 4.090) 10.528 4.596 ( -5.167 0.000 3.380) 6.174 4.805 ( -17.181 0.000 3.736) 17.582 5.145 ( 2.420 0.000 -4.321) 4.952 5.481 ( 5.989 0.000 -11.936) 13.355 5.522 ( 1.290 0.000 5.033) 5.195 6.011 ( -1.669 0.000 -7.989) 8.161 6.194 ( -2.667 0.000 17.473) 17.675 6.421 ( 4.254 0.000 7.535) 8.653 6.730 ( 0.683 0.000 4.476) 4.528 6.859 ( 2.167 0.000 1.862) 2.857 7.041 ( -3.722 0.000 1.331) 3.953 7.704 ( 1.843 0.000 1.444) 2.341 7.939 ( -1.262 0.000 -1.825) 2.218 8.050 ( -26.518 0.000 -1.714) 26.573 8.328 ( 3.184 0.000 -17.339) 17.629 8.509 ( 2.237 0.000 3.183) 3.891 8.650 ( 4.315 0.000 1.457) 4.554 9.046 ( 8.464 0.000 -6.702) 10.796 9.184 ( -3.780 0.000 12.470) 13.030 9.382 ( -5.548 0.000 -4.550) 7.176 9.792 ( 49.075 0.000 9.955) 50.074 9.892 ( -0.411 0.000 -1.507) 1.562 10.143 ( 5.554 0.000 8.923) 10.510 10.656 ( -13.294 0.000 -4.926) 14.177 10.673 ( -14.645 0.000 0.845) 14.670 10.830 ( 2.024 0.000 3.345) 3.910 10.856 ( -7.174 0.000 -2.533) 7.608 11.154 ( 2.998 0.000 4.637) 5.522 11.246 ( -0.104 0.000 -2.755) 2.757 11.685 ( 7.772 0.000 4.272) 8.868 11.694 ( -8.233 0.000 -6.083) 10.237 11.788 ( 0.819 0.000 -5.085) 5.151 11.953 ( 0.416 0.000 1.050) 1.129 12.575 ( 12.712 0.000 -3.098) 13.084 12.710 ( -5.223 0.000 7.446) 9.095 12.724 ( -11.037 0.000 -0.710) 11.059 13.230 ( 3.275 0.000 -1.058) 3.442 13.835 ( 3.668 0.000 -2.165) 4.259 14.065 ( 0.513 0.000 2.158) 2.218 14.093 ( -2.145 0.000 8.176) 8.453 14.256 ( 6.586 0.000 0.812) 6.636 14.265 ( 4.138 0.000 1.455) 4.387 14.861 ( 1.043 0.000 -4.083) 4.215 14.971 ( -0.524 0.000 -0.820) 0.973 15.774 ( -37.089 0.000 1.596) 37.123 16.607 ( 2.967 0.000 -4.560) 5.441 17.614 ( 5.185 0.000 -3.922) 6.501 17.764 ( 2.554 0.000 -5.457) 6.025 17.996 (-131.141 0.000 -0.404) 131.142 18.186 ( 0.918 0.000 0.197) 0.939 18.624 ( -6.686 0.000 6.933) 9.631 19.339 ( -5.898 0.000 -0.096) 5.899 19.685 ( 15.226 0.000 -6.809) 16.679 20.535 ( -0.232 0.000 -0.118) 0.260 20.619 ( -1.311 0.000 6.959) 7.081 21.303 ( 0.803 0.000 1.421) 1.632 25.532 ( -5.175 0.000 -10.017) 11.274 25.839 ( 3.369 0.000 3.718) 5.017 26.987 ( 114.435 0.000 -0.763) 114.437 27.816 ( 1.408 0.000 0.795) 1.617 28.495 ( 0.761 0.000 2.796) 2.898 ======================= Grid point 78 (26/128) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 27.326 0.000 -5.535) 27.881 0.704 ( 9.966 0.000 12.204) 15.756 1.025 ( 7.928 0.000 3.708) 8.752 1.647 ( 35.904 0.000 38.513) 52.653 2.026 ( 1.859 0.000 5.685) 5.981 2.225 ( 0.468 0.000 -5.258) 5.279 2.459 ( 4.900 0.000 -10.738) 11.803 2.796 ( -2.056 0.000 -6.131) 6.467 2.882 ( -10.940 0.000 -15.901) 19.301 3.281 ( -2.053 0.000 -1.175) 2.366 3.619 ( -10.884 0.000 -2.256) 11.115 3.626 ( -0.105 0.000 -0.608) 0.617 3.747 ( -2.019 0.000 0.411) 2.060 4.122 ( 4.657 0.000 1.027) 4.769 4.158 ( -4.542 0.000 -4.776) 6.591 4.404 ( -8.069 0.000 1.625) 8.231 4.408 ( 10.343 0.000 -13.537) 17.036 4.536 ( -3.590 0.000 14.445) 14.885 4.869 ( 16.378 0.000 -0.682) 16.392 5.042 ( -4.297 0.000 -12.240) 12.973 5.593 ( 6.270 0.000 -9.181) 11.117 5.690 ( 8.303 0.000 2.551) 8.686 5.980 ( -0.929 0.000 -5.769) 5.843 6.133 ( -5.265 0.000 17.944) 18.701 6.464 ( -1.098 0.000 5.387) 5.498 6.671 ( -5.504 0.000 6.263) 8.338 6.822 ( -13.625 0.000 14.334) 19.776 7.075 ( 6.929 0.000 -1.520) 7.093 7.371 ( -13.993 0.000 14.261) 19.980 7.695 ( -2.907 0.000 3.800) 4.784 7.952 ( -2.010 0.000 1.966) 2.811 8.390 ( 4.760 0.000 -16.977) 17.632 8.550 ( 1.642 0.000 5.839) 6.065 8.625 ( -0.090 0.000 -1.054) 1.058 8.956 ( -9.071 0.000 -4.960) 10.339 9.112 ( -4.799 0.000 11.760) 12.701 9.393 ( 0.169 0.000 1.985) 1.992 9.745 ( -10.069 0.000 0.863) 10.106 10.190 ( -7.731 0.000 6.832) 10.317 10.380 ( 12.999 0.000 11.183) 17.148 10.483 ( 7.384 0.000 -11.010) 13.257 10.663 ( -2.234 0.000 1.276) 2.573 10.885 ( 8.697 0.000 -9.061) 12.560 10.893 ( 4.299 0.000 4.059) 5.912 11.270 ( 1.532 0.000 -0.592) 1.642 11.390 ( 12.897 0.000 -11.754) 17.450 11.568 ( -2.114 0.000 -15.445) 15.589 11.675 ( -6.775 0.000 -2.260) 7.142 11.785 ( -1.306 0.000 2.163) 2.526 11.998 ( 1.935 0.000 -1.702) 2.577 12.540 ( -8.218 0.000 -4.569) 9.403 12.608 ( -6.094 0.000 2.963) 6.776 12.959 ( 21.684 0.000 -10.270) 23.993 13.264 ( 0.643 0.000 2.871) 2.942 13.729 ( -13.769 0.000 1.472) 13.848 14.021 ( -3.199 0.000 -1.437) 3.507 14.133 ( 5.675 0.000 5.767) 8.091 14.218 ( -10.090 0.000 6.137) 11.809 14.452 ( -39.371 0.000 42.313) 57.797 14.728 ( 24.091 0.000 -9.283) 25.818 14.905 ( 3.832 0.000 -3.435) 5.146 14.971 ( 0.468 0.000 0.528) 0.705 16.636 ( 0.168 0.000 -1.338) 1.349 16.920 ( -0.664 0.000 2.653) 2.735 17.681 ( 1.978 0.000 1.481) 2.471 17.822 ( 2.513 0.000 -5.363) 5.923 18.176 ( -1.396 0.000 0.009) 1.396 18.521 ( -3.689 0.000 2.582) 4.502 19.264 ( -11.684 0.000 3.833) 12.297 19.935 ( 0.833 0.000 12.907) 12.934 20.565 ( 3.196 0.000 0.025) 3.197 21.204 ( 45.711 0.000 -19.543) 49.713 21.293 ( -1.868 0.000 1.437) 2.357 25.438 ( -3.442 0.000 -8.740) 9.393 25.901 ( 2.731 0.000 1.987) 3.378 27.026 ( -40.349 0.000 -12.173) 42.146 28.337 ( 9.795 0.000 4.422) 10.747 28.509 ( 0.382 0.000 2.919) 2.944 ======================= Grid point 79 (27/128) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 1.240 0.000 3.066) 3.308 1.141 ( 33.944 0.000 -22.924) 40.959 1.298 ( 17.484 0.000 4.297) 18.004 2.053 ( 0.775 0.000 1.501) 1.689 2.237 ( 1.055 0.000 -2.959) 3.142 2.343 ( 32.784 0.000 28.496) 43.438 2.530 ( 3.166 0.000 -8.494) 9.065 2.541 ( -15.426 0.000 -16.649) 22.697 2.879 ( 4.230 0.000 -3.732) 5.640 3.218 ( -4.181 0.000 -0.217) 4.187 3.316 ( -18.275 0.000 -5.776) 19.166 3.519 ( -12.720 0.000 -3.685) 13.243 3.662 ( -6.681 0.000 -1.148) 6.778 3.967 ( -7.694 0.000 6.187) 9.873 4.226 ( 4.338 0.000 -3.739) 5.727 4.382 ( -9.265 0.000 18.298) 20.510 4.487 ( 11.590 0.000 -14.323) 18.424 4.629 ( 6.784 0.000 -3.543) 7.653 5.105 ( 12.173 0.000 -18.895) 22.477 5.193 ( 15.274 0.000 3.505) 15.671 5.691 ( 4.159 0.000 -4.409) 6.061 5.766 ( -0.199 0.000 3.313) 3.319 5.955 ( -1.815 0.000 -2.117) 2.789 6.042 ( -4.403 0.000 15.893) 16.492 6.404 ( -4.985 0.000 5.814) 7.658 6.484 ( -11.282 0.000 14.055) 18.023 6.633 ( -3.574 0.000 7.081) 7.932 7.276 ( 13.237 0.000 -4.342) 13.931 7.425 ( 8.596 0.000 -4.680) 9.787 7.604 ( -6.860 0.000 4.336) 8.116 7.929 ( 0.370 0.000 4.353) 4.368 8.472 ( 4.493 0.000 -11.509) 12.355 8.521 ( -4.456 0.000 1.596) 4.733 8.702 ( 1.880 0.000 0.529) 1.953 8.766 ( -4.839 0.000 0.848) 4.913 9.021 ( -5.168 0.000 8.804) 10.208 9.372 ( -1.893 0.000 2.919) 3.479 9.572 ( -7.757 0.000 1.924) 7.992 10.231 ( 7.935 0.000 -1.835) 8.144 10.413 ( -8.048 0.000 -7.519) 11.014 10.536 ( 0.570 0.000 14.094) 14.105 10.629 ( -1.074 0.000 -2.012) 2.281 10.997 ( 1.639 0.000 -1.215) 2.040 11.040 ( 11.217 0.000 4.134) 11.954 11.281 ( 0.305 0.000 -2.528) 2.546 11.519 ( -5.426 0.000 -3.826) 6.639 11.528 ( -0.304 0.000 -6.649) 6.656 11.619 ( 8.296 0.000 -22.826) 24.287 11.769 ( 0.115 0.000 6.879) 6.880 11.991 ( -2.016 0.000 -7.300) 7.574 12.434 ( -1.253 0.000 -4.432) 4.606 12.471 ( -8.441 0.000 0.290) 8.446 13.222 ( 4.313 0.000 -0.888) 4.403 13.288 ( 2.086 0.000 6.190) 6.532 13.422 ( -10.646 0.000 4.285) 11.476 13.913 ( -7.458 0.000 1.330) 7.576 14.015 ( -3.419 0.000 9.061) 9.684 14.262 ( -1.691 0.000 4.218) 4.545 14.303 ( 10.797 0.000 3.629) 11.390 14.912 ( 0.307 0.000 -4.983) 4.992 15.005 ( 7.124 0.000 -2.873) 7.682 15.233 ( 18.551 0.000 -5.722) 19.414 16.604 ( -3.682 0.000 1.837) 4.114 17.108 ( 16.360 0.000 -9.618) 18.978 17.701 ( -0.431 0.000 4.227) 4.249 17.809 ( -2.951 0.000 0.795) 3.056 18.136 ( -3.688 0.000 4.130) 5.537 18.516 ( 3.812 0.000 -8.535) 9.348 18.947 ( -20.218 0.000 8.954) 22.112 19.884 ( -5.855 0.000 15.517) 16.584 20.643 ( 4.377 0.000 0.408) 4.396 21.240 ( -3.463 0.000 0.641) 3.522 22.016 ( 38.196 0.000 -10.427) 39.594 25.392 ( -0.557 0.000 -6.350) 6.374 25.950 ( 2.340 0.000 0.595) 2.414 26.183 ( -42.366 0.000 -9.414) 43.400 28.350 ( -4.526 0.000 13.611) 14.344 28.509 ( -0.784 0.000 2.379) 2.505 ======================= Grid point 80 (28/128) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.610 0.000 0.066) 0.613 1.633 ( 16.335 0.000 0.811) 16.355 1.725 ( 27.755 0.000 -24.862) 37.262 2.075 ( 2.185 0.000 -3.294) 3.952 2.255 ( -11.193 0.000 -13.278) 17.366 2.257 ( 1.132 0.000 -1.884) 2.198 2.566 ( 1.103 0.000 -5.526) 5.635 2.845 ( 6.969 0.000 4.167) 8.119 2.955 ( -14.264 0.000 -4.834) 15.060 3.066 ( 20.871 0.000 7.486) 22.173 3.125 ( -6.930 0.000 1.303) 7.052 3.206 ( -14.394 0.000 -11.577) 18.472 3.527 ( -6.208 0.000 -1.461) 6.378 3.894 ( -2.755 0.000 11.332) 11.662 4.133 ( -12.662 0.000 10.715) 16.587 4.345 ( 3.736 0.000 6.798) 7.757 4.692 ( 0.346 0.000 -3.081) 3.100 4.711 ( 11.122 0.000 -21.169) 23.913 5.354 ( 11.545 0.000 -13.136) 17.488 5.389 ( 3.393 0.000 13.141) 13.572 5.746 ( 2.174 0.000 1.781) 2.810 5.747 ( 0.270 0.000 0.550) 0.613 5.895 ( -3.969 0.000 -1.088) 4.116 6.067 ( 7.208 0.000 7.328) 10.279 6.266 ( -8.395 0.000 10.797) 13.677 6.413 ( 0.460 0.000 0.123) 0.476 6.586 ( -2.181 0.000 4.956) 5.415 7.443 ( -9.933 0.000 4.282) 10.817 7.539 ( 13.629 0.000 -7.137) 15.384 7.567 ( 6.329 0.000 -5.587) 8.442 7.986 ( 4.564 0.000 4.224) 6.218 8.393 ( -8.478 0.000 -2.675) 8.890 8.517 ( -0.089 0.000 -1.379) 1.382 8.551 ( -8.271 0.000 1.753) 8.454 8.906 ( 9.105 0.000 7.365) 11.711 8.969 ( 0.586 0.000 3.151) 3.205 9.337 ( -2.016 0.000 2.821) 3.467 9.441 ( -6.589 0.000 2.568) 7.072 10.227 ( -8.265 0.000 -12.946) 15.359 10.418 ( 9.119 0.000 -2.865) 9.558 10.476 ( -5.926 0.000 12.414) 13.756 10.628 ( 1.569 0.000 -3.249) 3.608 10.966 ( -3.470 0.000 1.836) 3.926 11.270 ( 8.432 0.000 -0.749) 8.465 11.292 ( 3.364 0.000 -3.567) 4.904 11.375 ( -6.598 0.000 -1.274) 6.720 11.500 ( -3.628 0.000 -0.700) 3.695 11.788 ( -0.043 0.000 7.707) 7.707 11.816 ( 13.638 0.000 -21.333) 25.320 11.946 ( -0.966 0.000 -5.600) 5.683 12.287 ( -10.376 0.000 -2.252) 10.617 12.467 ( 3.991 0.000 -7.354) 8.367 13.140 ( -5.993 0.000 2.138) 6.363 13.358 ( 4.160 0.000 8.105) 9.110 13.400 ( 1.467 0.000 0.569) 1.573 13.777 ( -6.802 0.000 -3.689) 7.738 13.981 ( -1.323 0.000 7.878) 7.988 14.271 ( 2.146 0.000 0.123) 2.149 14.512 ( 9.372 0.000 2.497) 9.699 14.924 ( 1.865 0.000 -5.446) 5.757 15.194 ( 13.260 0.000 -2.002) 13.410 15.483 ( 8.098 0.000 -2.896) 8.600 16.493 ( -8.233 0.000 3.974) 9.142 17.472 ( 21.278 0.000 -8.890) 23.060 17.646 ( -5.207 0.000 7.234) 8.913 17.776 ( -0.108 0.000 -0.169) 0.201 18.026 ( -7.989 0.000 8.705) 11.815 18.550 ( -21.021 0.000 10.851) 23.656 18.630 ( 7.870 0.000 -13.117) 15.297 19.751 ( -9.024 0.000 14.922) 17.439 20.714 ( 2.471 0.000 0.479) 2.517 21.177 ( -2.626 0.000 -0.403) 2.656 22.635 ( 26.423 0.000 -0.896) 26.438 25.404 ( 1.999 0.000 -3.274) 3.836 25.459 ( -30.731 0.000 -12.133) 33.039 25.995 ( 2.350 0.000 -0.419) 2.387 28.240 ( -7.511 0.000 9.376) 12.014 28.482 ( -2.092 0.000 1.393) 2.513 ======================= Grid point 81 (29/128) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 1.894 0.000 -1.432) 2.375 1.899 ( 10.421 0.000 -0.782) 10.450 2.002 ( -0.180 0.000 -17.289) 17.290 2.152 ( 6.352 0.000 -6.328) 8.966 2.263 ( 16.011 0.000 -11.775) 19.875 2.276 ( 0.982 0.000 -1.701) 1.963 2.558 ( -0.976 0.000 -8.468) 8.524 2.629 ( -13.315 0.000 -11.296) 17.462 2.879 ( -11.970 0.000 -12.429) 17.256 2.896 ( -0.967 0.000 0.414) 1.052 3.097 ( -1.914 0.000 2.222) 2.933 3.398 ( -2.197 0.000 1.349) 2.578 3.576 ( 19.439 0.000 3.874) 19.821 3.842 ( -3.958 0.000 13.995) 14.544 3.904 ( -9.958 0.000 8.950) 13.389 4.439 ( 5.558 0.000 5.739) 7.989 4.623 ( -7.962 0.000 0.052) 7.962 4.803 ( -0.538 0.000 -21.734) 21.741 5.433 ( 2.946 0.000 13.803) 14.114 5.468 ( 2.737 0.000 -5.914) 6.517 5.775 ( 0.146 0.000 5.736) 5.738 5.819 ( 5.462 0.000 -2.068) 5.840 5.829 ( -2.090 0.000 -2.990) 3.648 6.120 ( -6.938 0.000 6.417) 9.451 6.286 ( 12.494 0.000 2.416) 12.725 6.440 ( 1.339 0.000 1.644) 2.120 6.562 ( -0.295 0.000 3.391) 3.404 7.242 ( -10.430 0.000 4.591) 11.396 7.676 ( 5.709 0.000 -2.659) 6.298 7.766 ( 10.190 0.000 -8.878) 13.515 8.073 ( 3.178 0.000 -0.906) 3.304 8.227 ( -7.357 0.000 -0.712) 7.391 8.416 ( -6.059 0.000 4.069) 7.298 8.468 ( -4.180 0.000 5.231) 6.696 9.055 ( 4.471 0.000 5.591) 7.158 9.060 ( 7.485 0.000 1.844) 7.709 9.296 ( -2.425 0.000 4.284) 4.923 9.309 ( -7.276 0.000 2.321) 7.637 10.102 ( -2.305 0.000 -14.940) 15.117 10.372 ( -5.446 0.000 8.439) 10.044 10.528 ( 1.862 0.000 -2.157) 2.849 10.710 ( 6.665 0.000 -2.472) 7.109 10.921 ( -0.028 0.000 0.327) 0.328 11.275 ( -3.830 0.000 0.147) 3.833 11.292 ( 1.155 0.000 -5.153) 5.281 11.413 ( -4.731 0.000 0.618) 4.772 11.454 ( 7.168 0.000 -2.142) 7.481 11.753 ( -4.305 0.000 7.469) 8.621 11.951 ( 1.269 0.000 -1.671) 2.099 12.075 ( -10.274 0.000 0.416) 10.282 12.082 ( 13.960 0.000 -23.623) 27.440 12.544 ( 4.447 0.000 -7.296) 8.544 13.063 ( -2.472 0.000 -3.817) 4.548 13.405 ( -0.902 0.000 3.327) 3.447 13.443 ( 3.472 0.000 9.688) 10.291 13.648 ( -5.719 0.000 -6.774) 8.866 13.984 ( 0.870 0.000 9.062) 9.104 14.329 ( 3.499 0.000 -0.344) 3.516 14.640 ( 3.841 0.000 1.592) 4.158 14.980 ( 4.446 0.000 -5.695) 7.225 15.492 ( 15.840 0.000 -0.681) 15.855 15.565 ( 1.348 0.000 -2.674) 2.995 16.305 ( -10.781 0.000 4.421) 11.652 17.558 ( -4.052 0.000 6.889) 7.993 17.781 ( 0.225 0.000 -0.006) 0.225 17.861 ( -9.260 0.000 8.046) 12.268 17.863 ( 17.076 0.000 0.519) 17.084 18.195 ( -14.225 0.000 4.520) 14.926 18.766 ( 6.918 0.000 -11.045) 13.032 19.581 ( -9.232 0.000 15.226) 17.806 20.733 ( -0.277 0.000 -0.244) 0.369 21.148 ( -0.473 0.000 -0.773) 0.906 23.015 ( 12.624 0.000 2.602) 12.890 25.013 ( -14.129 0.000 -11.825) 18.425 25.454 ( 3.034 0.000 -0.245) 3.044 26.035 ( 1.587 0.000 -1.129) 1.948 28.094 ( -7.725 0.000 3.767) 8.594 28.438 ( -2.234 0.000 0.330) 2.258 ======================= Grid point 82 (30/128) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 1.603 0.000 -0.990) 1.884 1.989 ( 1.057 0.000 -10.391) 10.445 1.996 ( -1.398 0.000 -2.363) 2.745 2.260 ( 3.489 0.000 2.090) 4.067 2.289 ( 0.431 0.000 -1.049) 1.135 2.377 ( -9.499 0.000 -15.743) 18.387 2.541 ( 8.848 0.000 -13.812) 16.403 2.574 ( 5.219 0.000 -32.278) 32.697 2.720 ( -2.328 0.000 -2.409) 3.350 2.910 ( 3.527 0.000 1.867) 3.990 3.069 ( -2.152 0.000 6.437) 6.787 3.348 ( -0.410 0.000 6.440) 6.453 3.661 ( -7.464 0.000 -1.020) 7.533 3.779 ( -3.122 0.000 15.412) 15.725 3.983 ( 11.808 0.000 1.745) 11.936 4.376 ( -17.742 0.000 5.105) 18.462 4.584 ( 9.180 0.000 5.594) 10.750 4.701 ( -6.269 0.000 -20.768) 21.694 5.517 ( 2.634 0.000 8.471) 8.871 5.527 ( 4.768 0.000 -5.014) 6.919 5.768 ( -0.458 0.000 7.577) 7.591 5.798 ( -3.601 0.000 -3.060) 4.726 5.851 ( -0.258 0.000 2.197) 2.212 6.078 ( 2.628 0.000 1.105) 2.851 6.443 ( 1.082 0.000 1.522) 1.868 6.444 ( -0.965 0.000 3.406) 3.540 6.590 ( 2.492 0.000 3.264) 4.107 7.115 ( -0.981 0.000 4.983) 5.079 7.777 ( 4.476 0.000 0.078) 4.477 7.917 ( 6.711 0.000 -9.230) 11.412 8.040 ( -5.154 0.000 -7.697) 9.263 8.170 ( 0.002 0.000 3.547) 3.547 8.343 ( -0.837 0.000 4.187) 4.270 8.386 ( -5.227 0.000 7.117) 8.830 9.044 ( -5.611 0.000 0.638) 5.647 9.125 ( -5.187 0.000 3.612) 6.321 9.268 ( 6.918 0.000 1.738) 7.133 9.269 ( -0.783 0.000 4.624) 4.690 10.131 ( 5.895 0.000 -10.939) 12.426 10.285 ( -4.114 0.000 4.784) 6.310 10.519 ( -1.841 0.000 -4.214) 4.599 10.817 ( 4.370 0.000 5.450) 6.986 10.997 ( 7.179 0.000 -3.073) 7.809 11.219 ( -2.132 0.000 -0.349) 2.161 11.337 ( 3.973 0.000 -1.510) 4.251 11.346 ( -1.682 0.000 -1.661) 2.364 11.540 ( 1.031 0.000 -4.412) 4.531 11.635 ( -8.422 0.000 6.932) 10.908 11.866 ( -8.706 0.000 -8.118) 11.903 11.979 ( 1.615 0.000 -0.083) 1.617 12.332 ( 12.165 0.000 -15.122) 19.408 12.622 ( 3.899 0.000 -4.656) 6.073 13.016 ( -2.273 0.000 -7.622) 7.953 13.391 ( -0.194 0.000 3.542) 3.547 13.493 ( 0.401 0.000 11.619) 11.626 13.564 ( -2.136 0.000 -6.376) 6.724 14.019 ( 1.704 0.000 7.719) 7.905 14.398 ( 3.574 0.000 1.760) 3.984 14.675 ( -0.063 0.000 1.247) 1.248 15.075 ( 5.410 0.000 -4.072) 6.772 15.552 ( -1.857 0.000 -3.886) 4.307 15.663 ( -2.395 0.000 -0.782) 2.519 16.179 ( 0.740 0.000 4.646) 4.705 17.499 ( -3.340 0.000 7.801) 8.486 17.717 ( -4.549 0.000 3.158) 5.537 17.784 ( -0.202 0.000 -0.539) 0.576 17.819 ( -13.569 0.000 8.935) 16.247 18.302 ( 16.294 0.000 -3.153) 16.596 18.867 ( 4.257 0.000 -7.435) 8.567 19.459 ( -3.832 0.000 16.303) 16.747 20.719 ( -0.644 0.000 -1.011) 1.199 21.147 ( 0.136 0.000 -0.672) 0.686 23.130 ( -0.018 0.000 2.106) 2.107 24.885 ( 0.427 0.000 -9.839) 9.848 25.512 ( 2.858 0.000 2.133) 3.566 26.042 ( -0.904 0.000 -1.819) 2.031 27.967 ( -5.263 0.000 -0.391) 5.277 28.408 ( -0.770 0.000 -0.406) 0.870 ======================= Grid point 83 (31/128) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.080 0.000 0.363) 0.371 1.840 ( -13.107 0.000 -1.555) 13.199 1.917 ( -13.308 0.000 -22.394) 26.050 2.211 ( -0.805 0.000 -14.681) 14.703 2.275 ( -2.351 0.000 -1.350) 2.711 2.294 ( 0.100 0.000 -0.057) 0.115 2.579 ( -2.501 0.000 -16.603) 16.790 2.701 ( 10.549 0.000 -8.957) 13.839 2.866 ( 14.759 0.000 -11.241) 18.553 3.008 ( 5.104 0.000 2.020) 5.490 3.036 ( -0.120 0.000 4.127) 4.129 3.441 ( 4.655 0.000 8.285) 9.503 3.490 ( -7.188 0.000 -2.003) 7.462 3.774 ( 1.491 0.000 14.681) 14.756 3.979 ( -21.036 0.000 13.187) 24.827 4.144 ( 4.668 0.000 -1.988) 5.073 4.563 ( -5.856 0.000 -25.628) 26.288 4.767 ( 7.691 0.000 3.297) 8.368 5.483 ( -6.334 0.000 8.512) 10.610 5.620 ( 1.298 0.000 -13.341) 13.404 5.704 ( 0.179 0.000 6.483) 6.486 5.810 ( 3.332 0.000 7.616) 8.313 5.903 ( 4.507 0.000 1.198) 4.663 6.140 ( 2.340 0.000 2.959) 3.773 6.331 ( -10.344 0.000 4.361) 11.226 6.420 ( -1.678 0.000 2.473) 2.988 6.638 ( 1.600 0.000 5.794) 6.011 7.209 ( 8.057 0.000 2.228) 8.360 7.840 ( 2.497 0.000 3.565) 4.352 7.924 ( -6.245 0.000 -6.196) 8.798 8.025 ( 5.297 0.000 -7.551) 9.223 8.177 ( 0.855 0.000 -1.352) 1.599 8.244 ( -10.815 0.000 6.707) 12.726 8.411 ( 7.173 0.000 2.953) 7.757 8.884 ( -9.874 0.000 -1.935) 10.062 9.046 ( -1.352 0.000 1.597) 2.093 9.261 ( -0.435 0.000 2.547) 2.583 9.414 ( 6.547 0.000 4.397) 7.886 10.225 ( -2.353 0.000 2.342) 3.320 10.256 ( 6.028 0.000 -4.975) 7.816 10.466 ( -2.856 0.000 -6.792) 7.368 10.913 ( 4.908 0.000 8.579) 9.884 11.116 ( 2.913 0.000 3.175) 4.309 11.211 ( 2.265 0.000 -8.020) 8.333 11.343 ( 1.222 0.000 -1.056) 1.615 11.392 ( -5.223 0.000 -2.962) 6.004 11.474 ( -6.468 0.000 2.087) 6.796 11.474 ( -0.600 0.000 0.871) 1.057 11.787 ( 0.927 0.000 -10.999) 11.038 12.016 ( 2.480 0.000 0.931) 2.649 12.518 ( 8.526 0.000 -10.791) 13.753 12.658 ( -1.007 0.000 -4.371) 4.485 12.970 ( -0.804 0.000 -6.777) 6.825 13.428 ( 3.721 0.000 4.826) 6.094 13.469 ( -4.158 0.000 13.453) 14.081 13.557 ( 1.966 0.000 -5.626) 5.959 14.054 ( 1.285 0.000 5.276) 5.430 14.464 ( 2.763 0.000 4.328) 5.135 14.644 ( -3.413 0.000 1.744) 3.833 15.158 ( 2.608 0.000 0.395) 2.637 15.446 ( -15.631 0.000 -2.501) 15.830 15.510 ( -1.278 0.000 -5.608) 5.751 16.285 ( 6.237 0.000 5.124) 8.072 17.434 ( -3.247 0.000 4.958) 5.926 17.582 ( -10.809 0.000 -1.107) 10.866 17.720 ( 4.302 0.000 -1.051) 4.429 17.776 ( -0.573 0.000 -0.588) 0.821 18.595 ( 14.164 0.000 6.874) 15.744 18.915 ( 1.184 0.000 -3.764) 3.946 19.481 ( 4.500 0.000 16.702) 17.297 20.713 ( -0.097 0.000 -0.817) 0.823 21.147 ( 0.026 0.000 -0.794) 0.795 23.068 ( -5.477 0.000 4.814) 7.292 24.938 ( 4.172 0.000 -15.657) 16.204 25.565 ( 2.446 0.000 3.617) 4.367 25.994 ( -3.792 0.000 -2.880) 4.762 27.900 ( -1.669 0.000 -1.227) 2.071 28.410 ( 0.925 0.000 -0.520) 1.061 ======================= Grid point 84 (32/128) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -1.960 0.000 1.788) 2.653 1.451 ( -29.451 0.000 -29.398) 41.612 1.537 ( -17.495 0.000 -0.420) 17.500 2.173 ( -7.656 0.000 -0.183) 7.658 2.291 ( -0.336 0.000 -0.113) 0.354 2.320 ( 9.746 0.000 -18.804) 21.179 2.479 ( -5.348 0.000 -12.106) 13.234 2.918 ( 9.684 0.000 -0.107) 9.684 3.073 ( -9.407 0.000 6.213) 11.273 3.088 ( 5.575 0.000 -0.555) 5.603 3.108 ( -13.808 0.000 -2.009) 13.953 3.175 ( 15.855 0.000 -8.415) 17.950 3.628 ( 2.491 0.000 3.189) 4.047 3.776 ( 5.391 0.000 10.907) 12.166 3.845 ( 4.120 0.000 11.886) 12.580 4.218 ( 3.714 0.000 -0.316) 3.727 4.429 ( -5.666 0.000 -28.533) 29.090 4.842 ( -0.084 0.000 2.849) 2.850 5.356 ( -6.134 0.000 7.552) 9.729 5.538 ( -5.277 0.000 -13.046) 14.073 5.815 ( -6.232 0.000 3.920) 7.363 5.829 ( 7.543 0.000 -2.476) 7.939 6.015 ( 5.929 0.000 9.252) 10.989 6.155 ( -0.388 0.000 8.306) 8.315 6.170 ( -4.116 0.000 10.863) 11.616 6.391 ( -1.309 0.000 0.194) 1.323 6.651 ( -0.715 0.000 8.310) 8.341 7.369 ( 7.993 0.000 -0.771) 8.030 7.794 ( -6.508 0.000 -3.964) 7.621 7.917 ( 5.285 0.000 8.333) 9.868 7.928 ( -17.889 0.000 9.917) 20.454 8.157 ( 4.905 0.000 -12.171) 13.123 8.199 ( 1.776 0.000 -5.842) 6.106 8.597 ( 10.614 0.000 0.054) 10.614 8.695 ( -8.335 0.000 -1.505) 8.470 9.084 ( 4.502 0.000 3.649) 5.796 9.250 ( -1.137 0.000 0.276) 1.170 9.516 ( 3.831 0.000 4.574) 5.966 10.202 ( -0.196 0.000 0.803) 0.826 10.305 ( -1.344 0.000 -4.690) 4.878 10.411 ( -1.876 0.000 -4.426) 4.807 10.974 ( -1.644 0.000 8.700) 8.854 11.095 ( -3.472 0.000 4.188) 5.440 11.170 ( -12.699 0.000 -2.871) 13.020 11.232 ( 2.571 0.000 -11.243) 11.533 11.438 ( 8.588 0.000 -3.524) 9.283 11.470 ( 4.487 0.000 0.933) 4.583 11.507 ( -0.813 0.000 3.238) 3.339 11.832 ( 3.865 0.000 -10.475) 11.165 12.085 ( 4.624 0.000 1.326) 4.811 12.553 ( -8.645 0.000 -8.523) 12.140 12.655 ( 6.777 0.000 -4.999) 8.422 13.000 ( 3.576 0.000 0.321) 3.591 13.357 ( -8.319 0.000 13.686) 16.016 13.494 ( 1.644 0.000 2.543) 3.028 13.660 ( 9.454 0.000 -1.861) 9.635 14.081 ( 1.256 0.000 3.302) 3.533 14.501 ( 0.303 0.000 6.070) 6.077 14.540 ( -7.724 0.000 3.577) 8.513 15.147 ( -4.027 0.000 3.621) 5.415 15.155 ( -12.953 0.000 -3.863) 13.517 15.528 ( 3.968 0.000 -3.805) 5.498 16.384 ( 4.005 0.000 1.949) 4.454 17.404 ( 0.035 0.000 -0.490) 0.492 17.427 ( -3.833 0.000 -8.966) 9.751 17.761 ( -0.767 0.000 -0.526) 0.930 17.847 ( 8.099 0.000 -1.718) 8.279 18.884 ( 15.410 0.000 12.776) 20.017 18.907 ( -1.774 0.000 -0.257) 1.792 19.636 ( 9.357 0.000 19.691) 21.801 20.701 ( -1.511 0.000 0.107) 1.515 21.156 ( 1.321 0.000 -1.006) 1.660 22.968 ( -4.801 0.000 13.948) 14.752 24.943 ( -3.441 0.000 -34.209) 34.381 25.615 ( 2.446 0.000 3.901) 4.604 25.901 ( -5.270 0.000 -4.148) 6.706 27.893 ( 0.586 0.000 1.998) 2.083 28.434 ( 1.440 0.000 0.014) 1.440 ======================= Grid point 85 (33/128) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -34.412 0.000 -29.234) 45.153 0.801 ( -6.649 0.000 4.214) 7.872 1.204 ( -15.620 0.000 1.567) 15.699 2.023 ( -6.795 0.000 4.834) 8.339 2.181 ( -32.558 0.000 9.799) 34.000 2.281 ( -0.662 0.000 -1.184) 1.356 2.386 ( -2.772 0.000 -18.734) 18.938 2.850 ( 11.442 0.000 -10.931) 15.824 2.959 ( -3.037 0.000 2.874) 4.181 3.191 ( 4.764 0.000 -1.926) 5.139 3.222 ( 8.252 0.000 -11.640) 14.269 3.438 ( 10.605 0.000 -1.901) 10.774 3.687 ( 5.478 0.000 1.620) 5.712 3.941 ( 5.174 0.000 5.409) 7.485 3.978 ( 9.907 0.000 4.793) 11.005 4.308 ( 5.878 0.000 1.507) 6.068 4.321 ( -2.347 0.000 -20.208) 20.344 4.816 ( -1.032 0.000 4.133) 4.260 5.285 ( -2.135 0.000 2.288) 3.129 5.369 ( -12.114 0.000 -17.009) 20.883 5.589 ( -14.635 0.000 0.744) 14.654 5.907 ( -2.803 0.000 -4.252) 5.093 6.020 ( -1.873 0.000 5.416) 5.730 6.180 ( 1.608 0.000 14.840) 14.927 6.309 ( 13.097 0.000 15.791) 20.515 6.371 ( 0.597 0.000 5.897) 5.927 6.648 ( 0.381 0.000 8.683) 8.691 7.509 ( 5.645 0.000 -1.088) 5.749 7.556 ( -18.817 0.000 5.897) 19.719 7.682 ( -4.075 0.000 1.888) 4.491 8.030 ( 3.996 0.000 14.142) 14.695 8.239 ( 4.070 0.000 -12.872) 13.500 8.262 ( 6.577 0.000 -8.548) 10.786 8.542 ( -5.509 0.000 -3.246) 6.394 8.817 ( 9.236 0.000 -0.969) 9.287 9.187 ( 4.367 0.000 8.213) 9.302 9.224 ( -0.450 0.000 -0.838) 0.951 9.590 ( 4.633 0.000 2.776) 5.401 10.151 ( -13.928 0.000 -7.556) 15.845 10.207 ( 0.157 0.000 0.094) 0.183 10.429 ( 4.057 0.000 0.402) 4.077 10.886 ( -4.523 0.000 0.688) 4.575 10.950 ( -9.377 0.000 0.292) 9.381 11.058 ( -2.417 0.000 1.223) 2.709 11.310 ( 6.066 0.000 -7.605) 9.728 11.430 ( -6.607 0.000 2.123) 6.940 11.573 ( 4.397 0.000 0.709) 4.454 11.611 ( 8.678 0.000 -2.653) 9.074 11.882 ( 1.129 0.000 -8.973) 9.044 12.167 ( 0.545 0.000 -2.489) 2.548 12.369 ( -6.079 0.000 -7.779) 9.872 12.773 ( 4.818 0.000 3.668) 6.055 13.057 ( 0.213 0.000 4.807) 4.811 13.203 ( -7.274 0.000 8.462) 11.158 13.521 ( 2.620 0.000 -1.850) 3.207 13.867 ( 10.324 0.000 3.633) 10.944 14.116 ( 2.530 0.000 1.359) 2.872 14.365 ( -10.193 0.000 6.246) 11.954 14.471 ( -4.436 0.000 6.866) 8.174 14.964 ( -6.731 0.000 -4.649) 8.180 15.046 ( -5.352 0.000 1.955) 5.698 15.653 ( 8.920 0.000 3.184) 9.472 16.459 ( 4.158 0.000 -3.258) 5.283 17.433 ( 3.038 0.000 -4.200) 5.184 17.476 ( 11.936 0.000 -10.866) 16.141 17.747 ( -0.534 0.000 -0.920) 1.064 18.004 ( 7.791 0.000 -1.142) 7.874 18.848 ( -4.396 0.000 3.142) 5.404 19.191 ( 14.375 0.000 9.127) 17.027 19.865 ( 12.080 0.000 28.690) 31.129 20.648 ( -3.840 0.000 0.522) 3.875 21.200 ( 3.188 0.000 -0.485) 3.225 22.944 ( 0.611 0.000 21.951) 21.960 24.670 ( -21.944 0.000 -54.022) 58.309 25.665 ( 2.210 0.000 0.992) 2.423 25.796 ( -4.804 0.000 -3.265) 5.808 27.910 ( 0.413 0.000 6.723) 6.736 28.460 ( 1.069 0.000 0.989) 1.457 ======================= Grid point 86 (34/128) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( -2.317 0.000 13.604) 13.800 0.598 ( -13.014 0.000 13.076) 18.448 1.008 ( -4.971 0.000 1.936) 5.334 1.432 ( -41.791 0.000 27.061) 49.788 1.951 ( -1.035 0.000 7.137) 7.212 2.258 ( -1.495 0.000 -5.431) 5.633 2.347 ( 0.568 0.000 -16.722) 16.731 2.860 ( -4.018 0.000 -0.684) 4.076 3.194 ( 12.876 0.000 -27.972) 30.793 3.261 ( 2.763 0.000 -2.646) 3.826 3.318 ( 7.070 0.000 1.957) 7.336 3.563 ( 3.367 0.000 -2.681) 4.304 3.812 ( 6.083 0.000 0.434) 6.099 4.055 ( 5.694 0.000 -0.789) 5.749 4.121 ( 5.427 0.000 -5.108) 7.453 4.336 ( 5.512 0.000 -5.249) 7.611 4.421 ( 3.798 0.000 2.867) 4.758 4.848 ( -1.128 0.000 -5.443) 5.559 5.052 ( -12.930 0.000 -8.029) 15.221 5.154 ( -15.664 0.000 6.551) 16.979 5.411 ( 0.308 0.000 -10.161) 10.166 5.706 ( -13.958 0.000 2.881) 14.252 6.037 ( 0.506 0.000 -6.191) 6.212 6.209 ( -0.294 0.000 16.358) 16.361 6.348 ( 1.275 0.000 5.499) 5.645 6.654 ( 9.512 0.000 7.262) 11.968 6.715 ( 10.127 0.000 17.213) 19.972 7.216 ( -14.333 0.000 4.209) 14.938 7.630 ( 5.383 0.000 -1.415) 5.566 7.735 ( 12.898 0.000 9.876) 16.245 8.110 ( 5.996 0.000 14.620) 15.802 8.289 ( 2.626 0.000 -14.914) 15.143 8.416 ( 7.858 0.000 0.511) 7.874 8.464 ( -2.036 0.000 -0.540) 2.107 8.909 ( 1.652 0.000 -8.306) 8.468 9.227 ( -1.163 0.000 11.720) 11.778 9.296 ( 8.342 0.000 4.561) 9.507 9.736 ( 10.294 0.000 1.104) 10.353 9.797 ( -21.092 0.000 -6.635) 22.111 10.179 ( -3.639 0.000 2.020) 4.162 10.547 ( 7.361 0.000 0.364) 7.370 10.830 ( -2.998 0.000 2.624) 3.984 10.836 ( -1.106 0.000 -5.058) 5.177 10.992 ( -3.875 0.000 -0.733) 3.943 11.303 ( -5.510 0.000 -0.324) 5.520 11.410 ( -1.572 0.000 -2.108) 2.630 11.569 ( -3.290 0.000 -4.427) 5.515 11.740 ( 4.721 0.000 -2.637) 5.408 11.838 ( -5.089 0.000 -6.467) 8.229 12.019 ( -8.367 0.000 -5.382) 9.949 12.417 ( 6.768 0.000 -2.953) 7.384 12.794 ( -3.511 0.000 11.946) 12.452 12.956 ( -10.878 0.000 3.413) 11.401 13.159 ( 2.615 0.000 -1.663) 3.099 13.646 ( 10.648 0.000 -1.938) 10.823 14.010 ( 3.852 0.000 6.246) 7.338 14.187 ( 4.248 0.000 -0.506) 4.278 14.189 ( -8.024 0.000 8.227) 11.492 14.342 ( -8.443 0.000 5.711) 10.194 14.875 ( -2.305 0.000 -4.627) 5.169 14.982 ( -1.316 0.000 -0.080) 1.319 15.852 ( 9.470 0.000 4.081) 10.312 16.539 ( 4.327 0.000 -5.839) 7.267 17.510 ( 5.360 0.000 -6.254) 8.237 17.742 ( 0.333 0.000 -2.068) 2.094 17.972 ( 42.345 0.000 -9.448) 43.386 18.129 ( 4.942 0.000 -0.328) 4.953 18.747 ( -6.363 0.000 6.049) 8.779 19.416 ( 8.291 0.000 2.370) 8.623 20.088 ( 4.077 0.000 26.759) 27.068 20.573 ( -3.422 0.000 0.190) 3.427 21.264 ( 2.956 0.000 0.615) 3.019 22.401 ( -95.141 0.000 -82.648) 126.026 24.619 ( 59.158 0.000 56.375) 81.718 25.640 ( -4.633 0.000 -9.790) 10.831 25.773 ( 2.524 0.000 5.206) 5.786 27.903 ( -2.497 0.000 6.481) 6.945 28.478 ( 0.777 0.000 2.053) 2.195 ======================= Grid point 87 (35/128) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -5.846 17.932 15.066) 24.140 0.949 ( 7.965 15.151 28.771) 33.478 1.417 ( 6.542 48.070 17.877) 51.702 1.782 ( -0.350 31.809 2.890) 31.942 2.049 ( 3.139 19.629 0.138) 19.879 2.320 ( 3.147 3.974 -15.433) 16.244 2.539 ( 0.095 20.820 -0.058) 20.820 2.818 ( -0.805 1.826 -1.705) 2.625 3.166 ( -7.597 4.284 -20.664) 22.429 3.286 ( -1.235 -0.415 -5.840) 5.983 3.560 ( 3.225 -1.921 -3.534) 5.155 3.666 ( 8.831 8.056 -0.192) 11.956 3.897 ( -1.802 3.897 1.314) 4.490 4.089 ( 9.332 1.798 -3.845) 10.252 4.249 ( 1.608 5.938 -6.785) 9.159 4.412 ( 9.823 1.135 -4.954) 11.061 4.616 ( -2.613 3.397 6.163) 7.507 4.736 ( -16.920 7.722 -0.128) 18.600 4.909 ( -9.196 9.502 -4.442) 13.949 5.137 ( 2.414 -0.508 -7.088) 7.505 5.533 ( 3.065 3.072 1.279) 4.524 5.599 ( -2.148 9.767 -9.017) 13.465 5.959 ( -3.956 -6.167 -4.337) 8.514 6.066 ( -2.406 -8.407 15.656) 17.933 6.326 ( 3.512 -6.045 8.664) 11.132 6.522 ( -1.474 -8.365 9.855) 13.010 6.780 ( 0.397 4.735 4.516) 6.555 7.075 ( -2.017 -7.298 1.082) 7.649 7.687 ( 3.244 -3.963 -2.710) 5.795 7.821 ( -3.409 -8.341 -2.611) 9.381 8.153 ( -0.588 2.659 -4.294) 5.085 8.471 ( 3.442 -3.911 1.415) 5.399 8.586 ( 3.005 5.848 -6.081) 8.956 8.732 ( -10.454 10.378 1.611) 14.819 8.848 ( 1.305 -6.154 -5.976) 8.677 9.334 ( 3.129 5.187 5.924) 8.473 9.469 ( -2.080 5.843 -0.801) 6.253 9.596 ( 12.635 -6.135 10.740) 17.682 9.806 ( 1.188 -8.012 -0.005) 8.100 10.373 ( 11.731 6.479 0.367) 13.406 10.561 ( -4.961 -7.752 -0.358) 9.210 10.784 ( -3.347 -4.005 -1.150) 5.344 10.858 ( 1.924 5.541 -5.100) 7.772 10.952 ( -0.439 9.679 -0.655) 9.712 11.236 ( 10.613 2.951 -1.510) 11.118 11.398 ( -13.036 17.901 -9.278) 24.010 11.640 ( -3.995 -2.172 -7.409) 8.694 11.695 ( 7.505 0.268 1.148) 7.597 11.879 ( -5.942 4.796 -2.704) 8.101 11.998 ( 0.851 8.362 1.825) 8.601 12.478 ( 7.804 -6.112 1.760) 10.068 12.636 ( -6.407 -4.768 -1.847) 8.197 12.801 ( -6.927 3.632 11.880) 14.223 13.217 ( 0.384 -3.269 2.219) 3.970 13.508 ( -1.276 -16.753 12.689) 21.055 13.832 ( -1.379 -10.494 9.051) 13.927 14.052 ( -5.381 -6.274 4.236) 9.288 14.207 ( 2.029 -5.123 -1.037) 5.607 14.375 ( 8.083 1.831 -0.682) 8.315 14.799 ( -9.636 -5.703 3.050) 11.605 15.069 ( -0.178 14.090 -0.092) 14.091 16.096 ( -0.717 31.635 -15.438) 35.209 16.832 ( 2.201 13.581 -3.988) 14.325 17.149 ( -23.306 -11.163 19.421) 32.326 17.658 ( 7.766 1.022 -9.157) 12.050 18.184 ( 4.880 1.141 -2.085) 5.428 18.567 ( -7.584 5.467 -4.361) 10.316 18.672 ( -5.461 10.597 -12.019) 16.928 19.424 ( -10.191 -0.746 4.598) 11.205 19.816 ( -7.199 4.837 1.235) 8.761 20.503 ( -0.212 -3.389 -0.057) 3.396 21.210 ( -1.519 -6.528 0.379) 6.713 21.995 ( -40.612 92.204 -69.952) 122.655 25.449 ( -4.527 -8.692 -10.428) 14.310 25.818 ( 4.708 -2.243 4.914) 7.165 26.383 ( 78.390 -38.964 33.940) 93.889 27.820 ( -1.657 0.878 0.733) 2.013 28.475 ( 0.674 -2.410 2.804) 3.758 ======================= Grid point 88 (36/128) ======================= q-point: ( 0.10 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 15.811 19.244 -3.706) 25.181 1.273 ( 15.091 28.129 12.562) 34.305 1.753 ( 4.325 33.625 -0.569) 33.906 1.844 ( 24.617 26.842 27.598) 45.696 2.108 ( 2.858 17.826 3.120) 18.321 2.391 ( 4.359 7.387 -11.959) 14.717 2.545 ( 0.714 14.536 -1.360) 14.617 2.818 ( -0.185 2.321 -3.556) 4.251 2.941 ( -11.649 8.313 -16.917) 22.158 3.219 ( -4.826 -4.668 -2.163) 7.054 3.633 ( 0.378 -0.448 -3.309) 3.360 3.695 ( -2.936 5.992 -3.107) 7.360 3.788 ( -8.552 6.762 0.910) 10.941 4.205 ( 1.867 7.984 1.588) 8.351 4.349 ( -8.539 9.086 -5.869) 13.781 4.402 ( 2.287 0.513 -4.794) 5.336 4.516 ( 2.170 3.742 -3.323) 5.455 4.546 ( -3.710 4.925 4.467) 7.614 4.935 ( 8.834 3.379 -0.027) 9.458 5.096 ( 0.506 7.105 -10.433) 12.632 5.608 ( 2.914 1.907 -8.288) 8.990 5.701 ( 9.161 0.623 0.830) 9.220 5.894 ( -2.747 -7.083 7.830) 10.910 6.043 ( -1.393 -4.855 7.112) 8.723 6.379 ( 0.433 -6.943 6.219) 9.331 6.482 ( -2.953 -7.903 7.829) 11.509 6.719 ( -4.666 5.078 4.582) 8.280 7.167 ( 9.348 -6.432 -0.576) 11.361 7.706 ( -6.897 3.611 -2.288) 8.114 7.732 ( 0.737 -3.627 0.910) 3.811 8.076 ( -6.232 17.463 1.026) 18.570 8.356 ( -11.347 4.271 4.335) 12.876 8.525 ( 3.446 -3.146 2.233) 5.173 8.743 ( 3.835 8.424 -5.878) 10.964 8.805 ( -4.969 -8.739 -1.883) 10.228 9.262 ( -6.029 6.731 6.066) 10.883 9.419 ( -2.999 3.536 1.982) 5.042 9.624 ( -4.468 -6.891 -0.690) 8.242 10.146 ( 17.445 -10.052 6.866) 21.273 10.336 ( -7.717 3.382 -0.054) 8.426 10.563 ( 1.458 -4.477 3.406) 5.812 10.696 ( -4.877 2.395 -3.767) 6.612 10.909 ( 3.220 1.155 0.974) 3.556 11.017 ( 5.707 15.397 -4.590) 17.050 11.237 ( 1.565 -0.516 0.326) 1.680 11.472 ( 6.383 5.534 -11.817) 14.526 11.554 ( -3.794 -3.017 -11.553) 12.529 11.735 ( -4.427 6.320 -8.957) 11.822 11.820 ( 2.705 5.925 5.750) 8.688 12.001 ( -1.199 1.963 0.261) 2.315 12.479 ( -6.832 -4.496 -3.948) 9.082 12.630 ( -2.653 0.018 1.708) 3.155 12.883 ( 18.590 -5.520 0.711) 19.405 13.205 ( -1.198 -8.898 9.176) 12.838 13.446 ( -6.693 -11.534 11.285) 17.469 13.799 ( -1.672 -10.056 10.266) 14.468 13.964 ( -4.210 -5.832 -0.641) 7.221 14.222 ( -0.146 -4.464 0.885) 4.554 14.487 ( -1.421 -3.321 6.863) 7.755 14.757 ( 8.668 -2.914 -5.823) 10.841 15.118 ( 6.523 16.156 -0.360) 17.426 15.812 ( -22.095 62.818 -12.316) 67.719 16.794 ( -7.172 -3.565 5.896) 9.945 16.901 ( 4.848 14.034 -2.397) 15.040 17.772 ( 3.372 2.244 -2.813) 4.932 18.140 ( -11.006 14.351 -3.870) 18.495 18.259 ( -5.760 22.097 -9.551) 24.753 18.510 ( -4.281 -1.018 2.778) 5.204 19.205 ( -11.832 -5.457 5.141) 14.007 19.966 ( 5.503 2.520 9.412) 11.190 20.527 ( 2.720 -3.720 -0.519) 4.637 21.188 ( 0.289 -6.218 1.116) 6.324 21.820 ( 15.789 51.774 -28.572) 61.206 25.352 ( -3.582 -9.086 -9.620) 13.709 25.891 ( 2.759 -0.937 2.388) 3.767 26.766 ( -24.650 -24.861 0.774) 35.018 28.071 ( 16.248 -15.480 10.653) 24.842 28.490 ( 0.616 -2.256 2.889) 3.717 ======================= Grid point 89 (37/128) ======================= q-point: ( 0.20 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 28.159 10.329 -16.780) 34.368 1.547 ( 11.903 34.796 4.087) 37.001 1.782 ( 3.755 30.567 -3.920) 31.045 2.160 ( 2.422 18.869 2.270) 19.158 2.411 ( 4.991 11.981 -2.957) 13.312 2.459 ( 21.265 9.161 14.128) 27.124 2.558 ( 0.580 2.516 -6.219) 6.733 2.662 ( -6.790 19.528 -7.703) 22.063 2.894 ( 3.290 2.088 -2.213) 4.481 3.103 ( -7.465 -6.546 -1.302) 10.014 3.435 ( -12.829 9.711 -4.316) 16.659 3.560 ( -15.141 3.754 -4.973) 16.373 3.715 ( -1.221 4.179 -3.516) 5.596 4.049 ( -11.975 6.943 8.746) 16.373 4.261 ( 2.763 3.807 -3.271) 5.730 4.388 ( -7.609 0.859 18.220) 19.763 4.601 ( 6.500 7.521 -15.081) 18.063 4.627 ( 7.090 0.200 -4.316) 8.302 5.099 ( 11.619 -1.838 -15.301) 19.300 5.260 ( 11.751 6.535 4.185) 14.082 5.659 ( 2.715 -2.311 -3.729) 5.159 5.782 ( -2.383 1.870 8.014) 8.567 5.881 ( 1.543 -3.012 5.573) 6.521 6.025 ( -0.915 -1.983 1.522) 2.662 6.341 ( -2.997 -8.440 2.020) 9.182 6.458 ( -0.614 -2.583 6.195) 6.739 6.657 ( -1.950 7.796 4.664) 9.291 7.344 ( 7.357 -5.314 -0.422) 9.085 7.634 ( 1.112 9.307 -3.216) 9.909 7.726 ( -1.065 7.201 4.639) 8.632 8.019 ( 1.222 20.635 2.915) 20.876 8.238 ( -4.008 -10.277 4.202) 11.804 8.586 ( -7.420 0.039 -2.105) 7.713 8.648 ( 3.013 -8.499 1.657) 9.169 8.846 ( 4.130 7.461 -6.393) 10.658 9.151 ( -5.973 9.100 6.006) 12.432 9.347 ( -4.342 -0.342 2.129) 4.848 9.522 ( -5.281 -4.286 1.249) 6.916 10.293 ( 5.011 2.016 0.602) 5.434 10.323 ( -2.900 -6.511 -6.418) 9.591 10.564 ( -0.313 0.922 7.836) 7.896 10.599 ( -3.745 -0.407 0.185) 3.772 11.011 ( 4.970 0.553 -0.129) 5.002 11.105 ( 5.613 6.425 1.313) 8.632 11.321 ( 4.241 3.176 -0.266) 5.305 11.432 ( -7.326 -7.639 -4.601) 11.541 11.516 ( 1.228 1.815 -11.941) 12.140 11.700 ( 0.951 8.104 -7.619) 11.164 11.879 ( 2.035 9.186 1.762) 9.573 11.972 ( 0.317 -0.972 -7.124) 7.197 12.385 ( -1.663 -3.643 -4.460) 5.994 12.522 ( -7.419 4.363 0.416) 8.616 13.166 ( 2.689 -5.440 2.329) 6.500 13.232 ( 6.486 -12.051 5.588) 14.782 13.306 ( -5.103 -2.158 5.006) 7.467 13.792 ( -1.291 -10.044 9.204) 13.684 13.890 ( -2.425 -5.693 -3.734) 7.228 14.210 ( -0.934 -4.995 2.635) 5.724 14.532 ( 8.184 2.279 3.168) 9.067 14.872 ( 2.018 -4.014 -4.595) 6.426 15.345 ( 14.159 11.462 -3.065) 18.473 15.508 ( -7.254 56.044 -6.018) 56.831 16.725 ( -3.342 6.126 -0.201) 6.981 17.067 ( 12.579 2.078 -4.116) 13.398 17.762 ( -3.598 3.831 6.543) 8.392 18.003 ( -3.647 14.230 -0.999) 14.724 18.201 ( -3.032 10.166 -1.013) 10.656 18.495 ( 3.262 -2.115 -7.872) 8.779 18.916 ( -18.160 -3.259 7.942) 20.087 19.959 ( -5.411 7.045 13.086) 15.816 20.600 ( 4.390 -4.495 0.115) 6.285 21.168 ( -2.729 -7.248 1.128) 7.826 22.272 ( 28.217 25.749 -11.675) 39.943 25.308 ( -0.231 -9.029 -6.755) 11.278 25.917 ( -2.879 -3.133 -0.876) 4.344 26.136 ( -31.440 -4.378 -5.222) 32.170 28.223 ( 0.456 -10.243 12.779) 16.384 28.498 ( -0.270 -1.646 2.338) 2.872 ======================= Grid point 90 (38/128) ======================= q-point: ( 0.30 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 13.579 33.042 -3.217) 35.868 1.750 ( 16.805 21.824 -14.581) 31.166 1.920 ( 8.399 11.641 -10.997) 18.083 2.200 ( 1.450 19.062 -1.014) 19.144 2.290 ( -5.198 5.727 -7.958) 11.097 2.546 ( 0.703 10.185 -5.237) 11.474 2.590 ( -0.306 16.277 -3.538) 16.660 2.875 ( 2.610 2.910 0.703) 3.972 2.896 ( -9.408 -2.531 0.429) 9.752 3.126 ( 19.405 7.366 6.700) 21.810 3.222 ( -9.456 8.921 -4.861) 13.880 3.255 ( -10.660 3.877 -8.196) 13.994 3.605 ( -7.229 8.139 -2.434) 11.155 3.940 ( -2.482 3.882 13.666) 14.421 4.146 ( -11.513 0.899 10.046) 15.306 4.385 ( 3.019 3.807 7.007) 8.527 4.672 ( 0.772 -0.692 -7.799) 7.867 4.758 ( 7.565 2.771 -15.340) 17.327 5.314 ( 8.091 -5.070 -8.701) 12.919 5.425 ( 5.050 2.204 11.346) 12.613 5.717 ( -1.873 -0.310 4.563) 4.942 5.724 ( 3.815 0.824 0.514) 3.937 5.885 ( -2.591 -0.356 -0.458) 2.655 6.023 ( 1.210 -2.066 2.975) 3.819 6.323 ( 0.930 -7.256 1.104) 7.399 6.451 ( -0.415 0.607 4.581) 4.639 6.661 ( 2.454 15.600 3.153) 16.103 7.409 ( -1.302 -1.536 0.518) 2.079 7.674 ( 2.057 7.580 -1.137) 7.936 7.769 ( 5.646 10.494 0.891) 11.949 8.089 ( 2.259 8.217 4.443) 9.610 8.185 ( 0.542 -2.353 1.918) 3.084 8.377 ( -10.467 -2.549 -4.213) 11.567 8.781 ( 7.061 -8.435 2.883) 11.372 8.903 ( 1.362 13.703 -4.954) 14.634 9.062 ( -2.272 6.599 6.124) 9.285 9.270 ( -3.622 -4.624 2.343) 6.324 9.441 ( -3.750 -0.729 3.583) 5.237 10.178 ( -8.319 -4.749 -11.918) 15.291 10.411 ( 5.504 -3.005 -1.646) 6.483 10.504 ( -4.800 3.199 11.187) 12.587 10.609 ( 3.174 -0.416 -4.157) 5.247 11.007 ( -3.454 5.015 1.786) 6.346 11.257 ( 1.294 -7.408 -0.536) 7.539 11.316 ( 1.982 -0.248 0.165) 2.005 11.360 ( 0.333 7.181 -5.017) 8.766 11.521 ( -0.688 2.537 -3.623) 4.476 11.741 ( 3.749 0.361 -4.134) 5.592 11.892 ( 0.283 2.685 3.567) 4.474 12.042 ( 6.935 10.213 -12.787) 17.774 12.348 ( -8.516 2.791 -3.578) 9.649 12.415 ( 2.706 -1.789 -6.431) 7.203 13.083 ( -6.045 -5.709 1.949) 8.540 13.307 ( 3.389 -6.047 5.496) 8.847 13.357 ( 2.790 -4.166 2.970) 5.827 13.725 ( -5.019 -5.160 -0.448) 7.213 13.880 ( 0.369 -6.958 3.592) 7.839 14.220 ( 2.154 -5.126 0.810) 5.619 14.764 ( 12.112 -3.974 -0.464) 12.756 14.895 ( 3.872 6.543 -1.368) 7.725 15.399 ( -1.505 31.982 -6.581) 32.686 15.633 ( 11.617 19.561 0.349) 22.753 16.624 ( -7.346 9.934 1.470) 12.442 17.354 ( 16.565 -4.658 -3.313) 17.523 17.686 ( -4.175 3.599 7.306) 9.152 17.948 ( -3.045 8.667 5.356) 10.634 18.123 ( -4.133 12.868 0.944) 13.548 18.540 ( -15.804 -1.194 6.356) 17.076 18.616 ( 3.915 -1.496 -9.662) 10.532 19.824 ( -9.119 7.403 13.054) 17.560 20.675 ( 2.957 -4.274 0.486) 5.220 21.103 ( -3.486 -7.756 -0.392) 8.513 22.775 ( 23.042 14.804 -1.268) 27.417 25.328 ( 2.453 -8.161 -3.306) 9.140 25.458 ( -27.249 0.367 -11.108) 29.428 25.990 ( 1.181 -0.924 -0.700) 1.655 28.175 ( -5.346 -5.498 8.711) 11.606 28.479 ( -1.805 -0.862 1.404) 2.444 ======================= Grid point 91 (39/128) ======================= q-point: ( 0.40 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 5.111 52.914 -2.115) 53.202 1.955 ( 0.282 2.673 -12.308) 12.598 2.132 ( 14.528 12.862 -12.309) 22.979 2.244 ( 4.305 12.468 -3.843) 13.738 2.320 ( 6.663 7.211 -5.786) 11.396 2.546 ( 0.382 3.890 -6.148) 7.285 2.593 ( 1.246 20.393 -5.684) 21.207 2.669 ( -10.427 7.115 -9.222) 15.633 2.842 ( -6.009 0.234 -1.717) 6.254 3.002 ( -6.458 6.211 -8.616) 12.430 3.107 ( -4.603 1.877 0.711) 5.021 3.437 ( -1.431 5.540 1.696) 5.968 3.613 ( 11.109 3.681 4.031) 12.378 3.934 ( -2.789 5.408 8.810) 10.707 3.952 ( -2.966 6.965 13.835) 15.770 4.446 ( 2.978 1.052 4.964) 5.884 4.610 ( -7.064 -0.833 -2.875) 7.672 4.821 ( -0.581 1.058 -17.743) 17.784 5.394 ( 3.871 -4.343 4.981) 7.659 5.490 ( 0.427 -0.131 2.484) 2.524 5.729 ( 2.215 -2.269 6.954) 7.642 5.818 ( -0.313 0.754 1.514) 1.721 5.819 ( 1.822 0.427 -5.731) 6.029 6.044 ( 0.219 -1.914 4.954) 5.315 6.350 ( 1.024 -4.454 3.068) 5.505 6.461 ( 1.305 -4.559 2.629) 5.422 6.767 ( 7.643 25.943 0.809) 27.057 7.312 ( -7.353 4.708 1.213) 8.815 7.728 ( 3.196 8.374 -0.406) 8.972 7.860 ( 1.530 2.473 2.243) 3.672 8.059 ( -1.787 -13.540 3.330) 14.057 8.202 ( -6.846 -1.946 -1.378) 7.250 8.304 ( 8.499 22.304 -5.454) 24.483 8.833 ( -3.354 12.104 1.914) 12.705 8.941 ( 5.370 -1.206 1.399) 5.679 9.077 ( 0.548 -2.732 2.865) 3.997 9.226 ( -0.644 -4.393 4.258) 6.151 9.360 ( -5.345 3.089 3.713) 7.204 10.057 ( -1.793 -4.483 -12.705) 13.592 10.421 ( -4.374 4.664 6.842) 9.365 10.463 ( 0.376 -6.572 -0.595) 6.609 10.710 ( 6.897 -0.669 -4.396) 8.206 10.941 ( -2.483 4.094 2.796) 5.545 11.180 ( -3.944 -8.338 -0.122) 9.225 11.357 ( 0.247 6.546 -3.952) 7.650 11.388 ( -0.622 -0.565 -0.738) 1.118 11.541 ( 4.819 6.315 -3.393) 8.638 11.800 ( 0.825 3.533 2.332) 4.313 11.894 ( -0.102 -1.061 1.299) 1.680 12.146 ( -9.047 5.709 1.918) 10.868 12.212 ( 9.311 10.466 -21.230) 25.435 12.493 ( 4.925 -4.371 -7.474) 9.962 12.992 ( -3.337 -6.692 -2.943) 8.036 13.361 ( -0.275 -4.332 4.402) 6.182 13.379 ( 1.159 -8.269 3.883) 9.209 13.638 ( -3.271 -0.978 -0.823) 3.512 13.902 ( 1.658 -5.823 6.872) 9.158 14.282 ( 3.803 -4.659 -0.651) 6.049 14.854 ( 1.911 -7.531 -3.244) 8.419 15.116 ( 13.209 15.210 1.128) 20.177 15.365 ( -2.256 21.684 -4.248) 22.211 15.831 ( 8.993 18.405 -0.177) 20.485 16.455 ( -9.597 12.182 2.354) 15.686 17.601 ( 1.601 3.184 4.070) 5.409 17.670 ( 7.483 -4.408 3.436) 9.340 17.863 ( -5.959 3.424 7.680) 10.306 18.084 ( -3.047 13.888 5.815) 15.362 18.222 ( -10.423 2.611 0.587) 10.761 18.742 ( 6.884 -2.604 -10.594) 12.900 19.656 ( -8.609 7.852 13.097) 17.531 20.705 ( 0.148 -3.103 -0.131) 3.110 21.054 ( -1.318 -9.818 -0.950) 9.952 23.116 ( 11.650 10.891 2.350) 16.121 25.054 ( -12.924 4.463 -11.142) 17.638 25.386 ( 3.325 -7.357 -0.020) 8.073 26.015 ( 1.131 -2.364 -1.479) 3.009 28.059 ( -6.642 -2.952 3.567) 8.096 28.439 ( -2.117 -0.427 0.354) 2.189 ======================= Grid point 92 (40/128) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 2.587 58.392 -2.576) 58.506 1.984 ( 3.574 4.452 -8.159) 9.958 2.180 ( -4.866 12.261 -3.177) 13.569 2.291 ( -0.730 5.143 -1.021) 5.294 2.414 ( -5.500 4.996 -12.270) 14.344 2.561 ( 4.033 10.777 -17.673) 21.089 2.586 ( 3.133 10.113 -13.445) 17.113 2.642 ( 6.667 10.907 -14.607) 19.411 2.753 ( -1.033 5.747 -0.083) 5.839 2.931 ( -0.368 1.814 -0.809) 2.021 3.059 ( -1.371 0.277 5.683) 5.853 3.394 ( -0.261 5.763 6.814) 8.928 3.666 ( -3.765 1.418 2.723) 4.858 3.827 ( -3.206 4.274 11.733) 12.892 4.119 ( 8.912 12.014 3.197) 15.297 4.365 ( -16.075 -1.018 0.522) 16.116 4.547 ( 4.560 -1.780 3.678) 6.123 4.748 ( -2.895 2.888 -16.105) 16.615 5.463 ( -1.345 -3.761 8.086) 9.019 5.518 ( 6.132 -4.270 -7.078) 10.292 5.739 ( -1.764 -1.763 5.789) 6.304 5.789 ( -1.720 -3.854 3.394) 5.416 5.870 ( 2.815 6.281 2.406) 7.291 6.082 ( 3.710 0.869 2.775) 4.714 6.355 ( -0.923 -3.739 4.398) 5.846 6.502 ( 2.435 -7.878 2.783) 8.702 6.859 ( -1.941 30.581 -1.047) 30.661 7.218 ( 0.609 5.740 1.623) 5.996 7.782 ( 2.157 5.438 0.031) 5.850 7.826 ( -3.128 -7.664 3.358) 8.932 8.010 ( -4.919 -4.940 -2.770) 7.501 8.163 ( 2.835 -3.526 2.721) 5.279 8.463 ( 8.522 26.684 -7.573) 29.017 8.764 ( -3.834 21.205 3.854) 21.891 8.956 ( -4.922 -6.389 0.640) 8.090 9.081 ( -1.233 -4.798 4.796) 6.895 9.216 ( -2.173 -4.250 4.339) 6.451 9.289 ( 0.955 0.832 -0.438) 1.340 10.104 ( 6.625 -2.714 -7.143) 10.113 10.348 ( -3.675 4.404 2.589) 6.294 10.452 ( -0.848 -5.237 -2.061) 5.691 10.826 ( 4.631 -1.071 2.093) 5.193 10.947 ( 3.074 -1.127 0.890) 3.393 11.125 ( -1.551 -8.178 -0.432) 8.335 11.316 ( -3.105 0.917 -2.353) 4.002 11.422 ( 4.639 6.008 -0.999) 7.656 11.623 ( 1.804 6.425 -3.848) 7.704 11.746 ( -5.988 10.248 3.348) 12.332 11.878 ( -3.847 -1.046 -5.525) 6.814 11.985 ( -3.251 3.367 -0.721) 4.735 12.398 ( 9.570 5.699 -15.322) 18.943 12.576 ( 3.934 -4.058 -4.776) 7.400 12.939 ( -2.005 -7.294 -5.914) 9.602 13.335 ( -0.993 -6.101 0.638) 6.214 13.405 ( 0.913 -7.840 4.739) 9.207 13.601 ( -1.295 1.504 3.501) 4.024 13.948 ( 2.201 -4.880 6.975) 8.792 14.350 ( 2.992 -4.242 0.409) 5.207 14.895 ( 2.516 -6.647 -1.623) 7.290 15.277 ( -5.933 -4.552 -3.104) 8.097 15.317 ( 6.698 39.085 -0.373) 39.656 15.917 ( -2.976 15.460 -0.932) 15.771 16.344 ( 0.901 13.601 2.614) 13.879 17.572 ( -3.570 4.877 6.362) 8.776 17.726 ( -1.536 0.432 3.985) 4.292 17.820 ( -5.176 7.655 6.043) 11.041 17.866 ( -7.550 3.833 3.276) 9.079 18.312 ( 11.454 1.127 -1.742) 11.640 18.844 ( 4.344 -2.508 -6.888) 8.521 19.552 ( -2.481 9.491 13.558) 16.735 20.694 ( -0.760 -2.686 -1.045) 2.981 21.047 ( 0.320 -10.570 -0.652) 10.595 23.224 ( 0.177 10.243 2.003) 10.438 24.937 ( 0.477 5.563 -9.242) 10.798 25.448 ( 2.891 -7.045 2.416) 7.989 26.018 ( -0.930 -2.835 -2.178) 3.694 27.947 ( -4.804 -1.614 -0.298) 5.077 28.410 ( -0.782 -0.334 -0.378) 0.931 ======================= Grid point 93 (41/128) ======================= q-point: (-0.40 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -4.474 53.497 -0.504) 53.686 1.954 ( -12.680 9.909 -19.709) 25.444 2.044 ( -5.545 18.405 -2.005) 19.327 2.197 ( -1.725 0.372 -11.344) 11.481 2.344 ( -2.441 6.772 -4.028) 8.249 2.552 ( -0.853 9.662 -10.307) 14.153 2.606 ( -2.369 10.986 -6.088) 12.782 2.768 ( 7.927 9.622 -7.672) 14.639 2.861 ( 10.580 -0.267 -13.429) 17.098 3.007 ( 7.259 0.116 0.874) 7.312 3.038 ( -0.212 1.593 3.816) 4.141 3.483 ( 5.077 4.637 9.268) 11.540 3.557 ( -5.361 7.922 -1.595) 9.697 3.839 ( 2.541 4.947 15.795) 16.746 3.995 ( -19.306 1.550 8.340) 21.088 4.222 ( 2.072 7.827 -1.351) 8.208 4.540 ( -4.025 -1.701 -19.150) 19.643 4.797 ( 6.342 2.565 -1.053) 6.922 5.384 ( -6.817 -6.692 2.822) 9.961 5.607 ( 0.021 -5.985 -4.827) 7.689 5.719 ( 2.554 0.772 3.984) 4.795 5.785 ( 2.074 -2.223 4.686) 5.586 5.965 ( 6.193 7.390 6.784) 11.789 6.156 ( 2.831 1.670 4.716) 5.748 6.322 ( -2.947 -3.375 4.589) 6.414 6.544 ( 1.181 -8.703 5.026) 10.119 6.700 ( -11.320 27.013 -1.854) 29.348 7.309 ( 5.486 5.349 0.797) 7.704 7.775 ( -0.785 -11.258 -1.672) 11.408 7.836 ( 2.384 2.654 3.293) 4.855 7.900 ( -5.576 -0.308 -1.562) 5.799 8.239 ( 3.585 -2.769 1.617) 4.810 8.615 ( 7.179 28.696 -7.519) 30.521 8.655 ( -7.953 22.818 7.011) 25.160 8.820 ( -8.507 -5.381 -1.002) 10.116 9.032 ( -0.190 -1.512 0.287) 1.550 9.203 ( -0.143 -5.278 2.758) 5.957 9.360 ( 4.608 -5.381 1.851) 7.322 10.232 ( 5.203 0.394 -0.073) 5.219 10.282 ( -3.199 -0.243 -1.461) 3.525 10.450 ( 1.400 1.160 -4.400) 4.761 10.896 ( 2.120 -2.971 7.999) 8.792 11.021 ( 3.383 -6.342 2.063) 7.479 11.131 ( 2.268 -6.580 -5.829) 9.079 11.274 ( -0.591 0.038 -3.918) 3.962 11.528 ( 2.418 5.682 1.992) 6.488 11.544 ( -8.175 8.154 1.403) 11.631 11.591 ( -5.889 10.934 -4.276) 13.134 11.848 ( 2.587 2.217 -7.018) 7.802 11.995 ( 2.155 0.778 -1.139) 2.558 12.524 ( 3.428 -1.807 -11.289) 11.935 12.621 ( 1.400 -1.447 -3.839) 4.335 12.914 ( 0.609 -5.314 -5.212) 7.468 13.356 ( 3.022 -6.768 2.102) 7.705 13.426 ( 0.668 -5.322 6.230) 8.221 13.575 ( -1.593 1.184 3.934) 4.407 13.990 ( 1.431 -4.714 5.251) 7.200 14.387 ( 0.415 -4.655 2.715) 5.405 14.940 ( 1.766 -8.784 0.222) 8.962 15.092 ( -12.163 6.436 -0.838) 13.786 15.432 ( 5.592 28.981 -1.969) 29.581 15.751 ( -11.127 15.820 -2.976) 19.569 16.453 ( 7.218 13.186 3.273) 15.385 17.482 ( -5.758 0.029 1.093) 5.861 17.586 ( -10.444 7.342 4.535) 13.549 17.745 ( 1.296 0.716 -0.137) 1.488 17.885 ( 3.284 11.932 -0.790) 12.401 18.549 ( 12.751 -4.387 6.158) 14.824 18.894 ( 1.342 -2.262 -3.145) 4.100 19.598 ( 5.826 11.330 13.938) 18.883 20.684 ( -0.318 -3.091 -0.769) 3.201 21.056 ( 0.634 -9.655 -0.849) 9.713 23.174 ( -4.275 11.581 4.766) 13.233 24.987 ( 3.813 5.212 -14.609) 15.972 25.501 ( 2.435 -7.054 4.026) 8.479 25.970 ( -3.749 -2.722 -3.422) 5.759 27.885 ( -1.492 -1.026 -0.955) 2.047 28.410 ( 0.775 -0.525 -0.511) 1.067 ======================= Grid point 94 (42/128) ======================= q-point: (-0.30 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -26.524 6.295 -24.339) 36.545 1.687 ( -11.627 42.233 0.645) 43.809 1.950 ( -3.994 43.756 -2.561) 44.013 2.155 ( -6.367 -1.038 -2.597) 6.954 2.351 ( 5.600 2.914 -16.035) 17.233 2.481 ( -4.894 0.984 -10.463) 11.592 2.555 ( -2.457 19.534 -1.495) 19.745 2.918 ( 5.531 2.943 2.938) 6.920 3.055 ( 8.211 -2.359 -10.622) 13.631 3.118 ( 5.126 -2.443 -3.105) 6.472 3.150 ( 7.656 5.461 -4.251) 10.320 3.220 ( -18.019 11.753 7.583) 22.811 3.671 ( 5.653 4.881 4.670) 8.808 3.799 ( 1.563 3.433 9.951) 10.642 3.948 ( 5.525 6.538 10.955) 13.902 4.229 ( -0.951 2.941 -4.491) 5.452 4.465 ( -0.113 2.885 -22.942) 23.123 4.867 ( 0.305 2.557 1.825) 3.156 5.244 ( -6.724 -7.328 0.809) 9.979 5.529 ( -6.386 -4.194 0.923) 7.696 5.821 ( 5.722 -1.194 -4.442) 7.341 5.854 ( 3.416 -0.214 3.348) 4.788 6.083 ( 1.716 5.206 9.604) 11.058 6.188 ( 1.804 3.102 10.185) 10.799 6.260 ( -2.897 0.949 6.187) 6.897 6.492 ( -8.122 19.938 -3.753) 21.853 6.553 ( -1.210 -9.110 7.208) 11.680 7.374 ( 1.102 -2.273 -0.147) 2.531 7.738 ( -4.565 -4.958 -6.458) 9.334 7.824 ( -0.643 -4.137 2.095) 4.682 7.916 ( 4.957 1.863 6.125) 8.096 8.235 ( -5.373 11.016 2.308) 12.472 8.538 ( -0.294 12.069 3.328) 12.523 8.624 ( -8.765 -3.328 -3.362) 9.960 8.776 ( 6.696 19.044 -5.317) 20.876 9.100 ( 5.455 3.427 2.215) 6.812 9.202 ( 0.159 -3.358 -0.487) 3.396 9.449 ( 4.646 -6.359 3.275) 8.529 10.208 ( -3.958 -3.217 -3.773) 6.345 10.295 ( 1.183 2.891 0.328) 3.141 10.483 ( 1.629 6.373 -2.201) 6.937 10.890 ( -3.448 -8.233 7.691) 11.782 11.074 ( 1.478 -3.084 3.118) 4.628 11.160 ( -5.032 3.675 -9.018) 10.962 11.213 ( -2.782 -6.005 -2.999) 7.266 11.420 ( 2.621 3.963 -3.332) 5.803 11.493 ( -2.124 4.524 -3.550) 6.131 11.637 ( 3.548 8.218 4.662) 10.092 11.918 ( 4.711 4.080 -6.370) 8.912 12.050 ( 3.705 -0.811 -1.281) 4.004 12.466 ( -7.018 -6.716 -8.218) 12.724 12.675 ( 4.093 0.772 -2.913) 5.083 12.964 ( 4.438 -3.417 -1.146) 5.717 13.372 ( -4.793 -0.454 10.409) 11.469 13.442 ( 0.979 -4.475 4.948) 6.743 13.605 ( 5.968 -4.590 0.155) 7.530 14.015 ( 1.030 -5.545 2.781) 6.288 14.361 ( -3.580 -5.726 5.176) 8.509 14.799 ( -14.729 -4.009 1.273) 15.318 14.995 ( 1.256 1.377 1.000) 2.116 15.507 ( -6.871 29.512 -3.454) 30.497 15.575 ( 3.023 14.904 -1.925) 15.329 16.592 ( 7.180 16.165 1.553) 17.756 17.337 ( -6.819 -5.563 -5.274) 10.259 17.500 ( 0.086 9.775 -1.062) 9.833 17.736 ( -2.099 -2.137 2.093) 3.654 17.997 ( 8.059 14.280 -3.938) 16.864 18.815 ( 12.784 -6.085 8.785) 16.662 18.897 ( 0.509 -1.972 1.534) 2.549 19.777 ( 10.809 12.618 16.663) 23.531 20.669 ( -1.593 -3.443 0.319) 3.808 21.074 ( 1.608 -8.593 -1.238) 8.829 23.116 ( -1.212 15.662 13.547) 20.743 24.988 ( -3.494 4.806 -31.434) 31.990 25.553 ( 2.692 -6.795 4.617) 8.645 25.874 ( -5.561 -2.900 -5.075) 8.068 27.882 ( 0.790 -0.676 2.150) 2.388 28.431 ( 1.159 -0.942 0.017) 1.494 ======================= Grid point 95 (43/128) ======================= q-point: (-0.20 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -28.967 11.399 -24.479) 39.602 1.445 ( -13.187 36.754 4.914) 39.356 1.871 ( -4.872 48.626 1.969) 48.909 2.020 ( -4.883 4.860 0.305) 6.896 2.237 ( -26.287 7.638 3.080) 27.547 2.375 ( -3.298 -0.036 -17.407) 17.716 2.533 ( 1.363 19.430 -0.237) 19.479 2.911 ( -0.098 3.259 -5.618) 6.496 2.968 ( 2.579 4.777 -1.365) 5.598 3.214 ( 5.849 6.376 0.702) 8.681 3.259 ( 9.202 1.718 -11.901) 15.142 3.398 ( 10.834 -2.647 -5.045) 12.241 3.762 ( 4.492 7.514 2.535) 9.114 3.897 ( 4.567 -0.060 8.623) 9.758 4.053 ( 5.330 0.245 1.184) 5.465 4.209 ( 0.343 5.003 -4.455) 6.708 4.518 ( 5.840 7.478 -13.274) 16.316 4.856 ( 0.773 3.833 1.263) 4.109 5.146 ( -3.873 -6.666 -2.748) 8.184 5.364 ( -11.019 -3.341 3.269) 11.970 5.838 ( -6.978 11.890 -5.139) 14.712 5.893 ( -0.309 -0.698 -3.925) 3.999 5.996 ( -4.855 -1.255 7.831) 9.299 6.203 ( -2.065 2.276 12.871) 13.232 6.290 ( -0.652 -3.577 2.150) 4.224 6.439 ( 5.207 10.095 10.555) 15.506 6.550 ( 1.682 -6.166 5.051) 8.146 7.343 ( -4.858 -8.410 0.945) 9.758 7.640 ( -3.366 2.272 -4.556) 6.103 7.809 ( -0.906 -7.031 0.854) 7.140 8.002 ( 1.843 8.793 4.836) 10.203 8.193 ( 4.848 10.827 6.860) 13.704 8.467 ( -5.855 -3.486 -1.950) 7.087 8.618 ( 6.199 6.970 -2.740) 9.722 8.861 ( 1.227 6.628 -5.709) 8.834 9.181 ( 2.602 -0.797 6.503) 7.049 9.240 ( 3.774 5.492 -2.135) 6.998 9.567 ( 8.004 -1.030 2.221) 8.370 10.088 ( -9.274 -5.538 -6.605) 12.661 10.290 ( -1.626 6.455 0.642) 6.687 10.514 ( 2.073 8.085 1.528) 8.485 10.826 ( -2.204 -6.734 4.174) 8.224 10.933 ( -9.796 1.788 -2.822) 10.350 11.104 ( -1.573 2.570 -0.385) 3.037 11.190 ( -2.894 -9.696 -5.317) 11.431 11.464 ( 2.124 5.386 -3.976) 7.024 11.552 ( 6.591 -3.072 -2.613) 7.727 11.696 ( 2.293 8.040 2.505) 8.728 11.989 ( 2.348 7.614 -6.465) 10.261 12.116 ( 1.023 -4.754 -1.986) 5.253 12.317 ( -4.781 -3.312 -6.630) 8.819 12.747 ( 2.584 -2.716 3.262) 4.969 13.052 ( 3.236 -0.761 2.218) 3.997 13.242 ( -7.885 3.244 10.535) 13.553 13.452 ( 0.334 -5.723 0.699) 5.775 13.747 ( 6.313 -9.843 6.021) 13.153 14.048 ( 2.826 -6.252 0.066) 6.861 14.267 ( -6.071 -5.807 6.616) 10.694 14.536 ( -12.103 -1.838 2.593) 12.513 15.010 ( -0.272 -2.071 0.163) 2.095 15.296 ( -11.074 20.140 -2.995) 23.178 15.746 ( 11.437 23.197 -1.259) 25.894 16.726 ( 5.908 21.690 -1.471) 22.529 17.295 ( 3.989 -10.837 -4.758) 12.489 17.544 ( 3.245 8.477 -0.383) 9.085 17.701 ( 0.927 -3.052 -4.059) 5.162 18.164 ( 9.438 14.621 -5.289) 18.189 18.827 ( -4.158 -2.199 3.465) 5.842 19.125 ( 13.882 -6.637 7.078) 16.937 20.019 ( 11.443 11.497 21.425) 26.873 20.617 ( -3.716 -3.375 0.668) 5.064 21.119 ( 2.996 -8.336 -0.391) 8.867 23.223 ( 12.599 26.327 21.170) 36.056 24.731 ( -20.407 6.368 -49.251) 53.690 25.613 ( 2.943 -5.662 2.129) 6.727 25.760 ( -5.337 -3.834 -4.529) 7.981 27.903 ( 0.589 -0.360 6.203) 6.241 28.450 ( 0.712 -1.512 0.992) 1.943 ======================= Grid point 96 (44/128) ======================= q-point: (-0.10 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -2.372 21.110 3.366) 21.508 1.198 ( -14.417 29.441 12.197) 34.977 1.623 ( -28.403 28.490 17.173) 43.741 1.801 ( -3.121 32.374 3.976) 32.766 2.000 ( 1.357 20.751 -1.683) 20.863 2.316 ( -1.035 1.216 -18.110) 18.180 2.539 ( -0.114 22.131 0.485) 22.137 2.861 ( -3.349 1.029 -1.151) 3.687 3.158 ( 9.748 -1.420 -14.577) 17.593 3.311 ( 1.939 2.607 -17.783) 18.077 3.417 ( 11.178 11.666 4.062) 16.660 3.528 ( 3.524 -3.369 -5.146) 7.089 3.853 ( 4.751 5.169 0.927) 7.082 3.974 ( 3.473 -2.005 3.470) 5.303 4.195 ( 8.656 -3.160 -1.683) 9.367 4.235 ( 3.169 8.864 -3.952) 10.210 4.601 ( 2.911 6.069 -1.929) 7.002 4.956 ( 7.169 5.644 -6.372) 11.129 5.040 ( -7.278 -0.726 -3.823) 8.253 5.134 ( -11.900 -2.205 5.113) 13.139 5.634 ( -10.523 12.558 -6.371) 17.579 5.743 ( -10.692 7.227 -1.315) 12.972 6.000 ( 0.923 -3.565 -5.150) 6.331 6.142 ( -6.257 -6.847 14.244) 16.998 6.265 ( 1.167 -4.911 6.317) 8.086 6.520 ( 0.779 -7.739 12.814) 14.990 6.683 ( 8.354 3.636 5.266) 10.524 7.202 ( -8.710 -6.244 2.077) 10.916 7.630 ( 2.243 -0.757 -4.439) 5.030 7.835 ( 2.154 -10.316 -0.943) 10.581 8.076 ( 7.524 12.668 -1.533) 14.814 8.348 ( 7.187 -1.320 10.345) 12.665 8.442 ( 5.682 1.962 1.955) 6.321 8.743 ( 6.391 17.661 -4.819) 19.390 8.833 ( -1.222 -5.717 -6.939) 9.073 9.212 ( 0.764 -2.129 8.764) 9.051 9.339 ( 6.463 5.969 1.849) 8.990 9.719 ( 1.197 1.777 0.328) 2.168 9.847 ( -9.929 -1.297 -6.566) 11.974 10.250 ( -1.077 5.689 3.599) 6.817 10.566 ( 2.688 2.938 1.305) 4.190 10.797 ( -2.066 -2.022 -3.131) 4.262 10.856 ( 2.353 0.284 -0.286) 2.387 11.015 ( -5.978 1.300 -4.080) 7.354 11.133 ( -1.177 -6.278 2.995) 7.055 11.549 ( 6.765 4.493 -3.286) 8.761 11.622 ( -2.222 1.902 -5.211) 5.975 11.698 ( -2.283 3.292 -3.906) 5.595 11.994 ( -1.296 6.161 -3.696) 7.301 12.008 ( -7.219 4.724 -4.207) 9.599 12.360 ( 6.007 -4.581 -2.142) 7.853 12.743 ( -3.711 -4.717 5.687) 8.268 12.987 ( -10.816 2.848 11.880) 16.316 13.184 ( 1.823 1.694 -0.787) 2.610 13.484 ( 2.464 -11.593 3.888) 12.473 13.821 ( 1.236 -12.453 11.099) 16.727 14.118 ( 2.194 -5.769 1.975) 6.480 14.173 ( -2.558 -5.309 2.539) 6.417 14.354 ( -5.939 0.662 1.618) 6.191 14.961 ( -5.689 -5.152 -0.264) 7.679 15.120 ( -5.871 17.128 -0.514) 18.113 15.974 ( 11.257 22.879 -6.125) 26.223 16.796 ( 2.252 19.466 -4.553) 20.117 17.395 ( -1.176 -16.988 9.918) 19.706 17.544 ( 1.263 2.671 -1.378) 3.260 17.932 ( 20.956 0.580 -11.871) 24.092 18.375 ( 15.445 15.894 -10.445) 24.501 18.729 ( -6.050 -1.616 6.041) 8.701 19.351 ( 9.042 -6.174 2.751) 11.289 20.140 ( -5.400 2.226 16.755) 17.744 20.542 ( -3.607 -3.308 0.232) 4.900 21.183 ( 3.262 -8.253 1.175) 8.952 23.219 ( -43.356 56.839 -84.675) 110.817 24.652 ( 50.023 3.927 48.260) 69.619 25.597 ( -4.350 -4.699 -10.363) 12.182 25.739 ( 3.572 -3.839 6.148) 8.081 27.895 ( -2.546 -0.310 5.500) 6.069 28.462 ( 0.510 -2.088 2.050) 2.970 ======================= Grid point 97 (45/128) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.947 21.078 6.226) 21.999 1.217 ( 5.459 13.913 23.471) 27.826 1.826 ( 1.327 -4.519 9.837) 10.907 2.104 ( 4.650 -9.164 -10.115) 14.419 2.366 ( 2.954 39.023 3.856) 39.324 2.776 ( -1.000 13.317 -3.647) 13.843 2.851 ( -0.937 3.809 -1.138) 4.084 3.127 ( -4.306 30.201 -6.535) 31.198 3.242 ( 0.748 12.745 -8.506) 15.341 3.339 ( -1.078 5.821 -16.441) 17.474 3.533 ( 4.492 -1.043 -2.279) 5.144 3.926 ( 5.891 9.979 5.939) 13.021 4.077 ( 0.110 15.751 -3.810) 16.206 4.177 ( 8.765 15.494 -6.780) 19.048 4.356 ( 5.265 3.319 -3.621) 7.200 4.453 ( 4.705 4.060 -3.930) 7.353 4.697 ( -4.839 4.779 5.898) 9.002 4.813 ( -13.395 2.252 4.813) 14.411 4.974 ( -3.787 -1.871 -1.960) 4.657 5.136 ( 4.802 0.121 -10.008) 11.101 5.548 ( 0.484 -4.190 -2.000) 4.668 5.713 ( -1.896 -5.579 -1.760) 6.149 5.851 ( -7.772 -0.271 -0.684) 7.807 6.031 ( 1.229 -0.115 6.032) 6.157 6.224 ( -1.816 0.698 7.135) 7.396 6.432 ( -0.883 -1.661 8.593) 8.797 6.878 ( 7.208 -1.431 1.309) 7.465 6.934 ( -8.616 0.016 3.080) 9.150 7.543 ( 2.097 -6.289 -5.531) 8.634 7.711 ( -1.369 -7.175 3.005) 7.899 8.121 ( 0.680 -3.167 -0.596) 3.294 8.321 ( 2.976 -11.635 -2.495) 12.266 8.633 ( 3.452 1.773 0.388) 3.900 8.734 ( -2.457 -0.002 -0.345) 2.481 8.994 ( -1.898 9.987 0.327) 10.171 9.342 ( -0.644 -3.930 3.658) 5.407 9.391 ( 4.371 -7.418 10.102) 13.273 9.566 ( 4.923 -10.389 4.231) 12.250 9.797 ( -4.653 12.163 -7.601) 15.079 10.311 ( 1.015 -9.428 2.753) 9.874 10.538 ( -3.478 4.759 -0.628) 5.928 10.702 ( -0.525 -3.528 -0.599) 3.617 10.846 ( 4.496 -4.428 2.272) 6.708 11.149 ( -0.166 9.457 -3.227) 9.994 11.308 ( 8.405 2.825 -4.834) 10.099 11.515 ( -2.456 -2.274 -0.965) 3.484 11.682 ( -3.800 4.089 -8.562) 10.221 11.757 ( 2.198 5.771 -2.534) 6.675 12.015 ( -1.913 6.294 -1.735) 6.803 12.202 ( 0.828 11.241 -0.467) 11.281 12.392 ( 5.707 -3.957 -0.751) 6.985 12.563 ( -6.258 -0.394 -2.755) 6.849 12.857 ( -7.265 2.895 21.076) 22.480 13.138 ( -4.722 -0.610 2.955) 5.604 13.351 ( -0.187 -6.067 -0.601) 6.100 13.648 ( 0.128 -7.632 7.459) 10.673 13.906 ( -4.258 -7.760 3.527) 9.528 14.075 ( 2.801 -8.099 -0.875) 8.614 14.380 ( 3.332 0.144 0.808) 3.432 14.655 ( -4.785 -8.154 1.196) 9.530 15.448 ( -0.511 22.020 -0.628) 22.035 16.489 ( 5.511 -4.515 -6.125) 9.396 17.162 ( -6.720 36.122 -0.663) 36.748 17.307 ( -3.022 16.048 1.545) 16.403 17.682 ( 7.032 1.392 -9.160) 11.632 18.247 ( 5.226 6.246 -1.092) 8.217 18.554 ( -5.980 -3.521 6.949) 9.821 18.823 ( 3.176 -0.346 -13.923) 14.285 19.467 ( 0.517 9.239 3.954) 10.063 19.899 ( -8.957 5.686 5.678) 12.033 20.401 ( -0.254 -7.070 0.148) 7.076 20.988 ( 0.698 -15.793 3.169) 16.123 23.382 ( -35.261 54.402 -59.287) 87.852 25.205 ( -5.580 -16.164 -12.951) 21.451 25.753 ( 11.760 -4.565 10.563) 16.454 25.862 ( 37.437 -15.713 29.080) 49.941 27.869 ( -1.529 4.728 0.917) 5.053 28.388 ( 0.583 -6.858 2.625) 7.366 ======================= Grid point 98 (46/128) ======================= q-point: ( 0.10 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 9.065 20.729 -3.109) 22.837 1.595 ( 19.887 11.032 18.328) 29.208 1.887 ( 4.703 -3.093 4.705) 7.336 2.256 ( 9.938 -5.705 -5.175) 12.573 2.516 ( 11.774 31.529 5.965) 34.180 2.726 ( -4.564 7.643 -4.101) 9.801 2.806 ( -3.438 5.982 -2.577) 7.365 3.026 ( -3.877 15.423 -8.458) 18.012 3.216 ( -3.169 16.262 -6.658) 17.855 3.243 ( -5.569 21.382 -5.518) 22.774 3.621 ( 4.228 -0.700 -2.475) 4.949 3.911 ( -7.490 7.481 1.721) 10.725 4.026 ( -4.404 28.055 -4.504) 28.754 4.344 ( 2.451 3.448 -0.194) 4.235 4.423 ( 2.857 1.959 -6.953) 7.768 4.488 ( -12.285 3.491 6.107) 14.156 4.541 ( 2.399 5.867 1.912) 6.621 4.654 ( -1.097 3.956 -5.488) 6.854 4.929 ( 0.547 -3.034 -1.174) 3.299 5.234 ( 7.058 4.464 -5.917) 10.235 5.617 ( 1.734 -4.721 -3.428) 6.087 5.716 ( 4.685 2.303 -2.347) 5.724 5.792 ( 1.864 -5.744 1.499) 6.222 6.046 ( -0.049 4.024 5.865) 7.113 6.189 ( -3.949 -9.134 6.434) 11.849 6.409 ( -1.344 -0.866 7.446) 7.615 6.825 ( -2.496 3.658 0.989) 4.537 7.051 ( 10.235 -4.046 1.218) 11.073 7.589 ( 3.260 -5.669 -4.425) 7.896 7.687 ( -0.913 -5.546 2.304) 6.075 8.142 ( 1.263 -1.133 0.640) 1.813 8.363 ( 1.730 -10.347 1.060) 10.544 8.602 ( -8.363 8.266 1.973) 11.923 8.689 ( 0.650 -1.271 0.308) 1.461 8.918 ( -4.209 7.751 1.624) 8.968 9.228 ( -5.400 -8.184 7.978) 12.640 9.421 ( 1.557 -3.054 2.110) 4.026 9.697 ( -6.032 11.039 -8.366) 15.107 9.944 ( 19.222 -9.699 6.269) 22.424 10.264 ( -3.447 -8.961 -0.656) 9.624 10.538 ( 1.984 2.395 -1.669) 3.530 10.709 ( -0.133 1.637 1.444) 2.187 10.903 ( 1.910 -3.029 -0.753) 3.659 11.196 ( 5.335 1.341 2.283) 5.955 11.320 ( -5.225 2.762 -2.974) 6.616 11.423 ( -4.609 -0.092 -2.106) 5.068 11.637 ( 0.361 6.379 -12.937) 14.428 11.861 ( 5.746 2.745 -6.338) 8.984 11.969 ( -2.234 9.167 3.980) 10.240 12.155 ( -5.490 13.716 1.422) 14.842 12.423 ( -3.660 0.846 -4.144) 5.594 12.570 ( 6.805 -5.125 -0.873) 8.564 12.838 ( 4.797 -0.097 15.148) 15.889 13.055 ( -3.371 -2.441 1.172) 4.324 13.323 ( -3.078 -7.199 -1.112) 7.908 13.620 ( -2.562 -8.967 7.764) 12.134 13.842 ( -2.830 -4.958 -0.204) 5.713 14.099 ( -0.346 -7.889 1.679) 8.073 14.432 ( 1.443 -1.676 2.748) 3.527 14.652 ( 4.601 -6.790 -2.850) 8.683 15.488 ( 4.858 20.660 -0.971) 21.246 16.567 ( 1.817 -14.303 -1.076) 14.458 16.964 ( -10.159 52.612 -6.162) 53.937 17.295 ( 0.775 21.139 -0.246) 21.155 17.809 ( 5.644 1.969 -4.762) 7.643 18.239 ( -4.623 5.132 1.841) 7.149 18.463 ( -3.749 -3.367 3.903) 6.374 18.732 ( -9.728 8.348 -15.337) 19.989 19.173 ( -18.179 10.828 7.901) 22.586 20.033 ( 9.964 4.678 5.966) 12.520 20.420 ( 1.779 -7.366 -0.269) 7.582 20.989 ( -0.694 -14.522 3.333) 14.915 22.907 ( -8.437 55.307 -32.887) 64.897 25.079 ( -4.569 -19.537 -12.357) 23.565 25.871 ( 3.087 -0.902 3.868) 5.031 26.273 ( -1.907 -21.833 13.246) 25.608 27.937 ( 7.852 0.460 5.630) 9.672 28.407 ( 1.066 -6.679 2.817) 7.326 ======================= Grid point 99 (47/128) ======================= q-point: ( 0.20 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 21.853 14.538 -13.612) 29.567 1.899 ( 9.583 1.997 1.175) 9.859 2.033 ( 10.408 11.198 8.502) 17.493 2.421 ( 5.892 0.126 -6.659) 8.893 2.548 ( -9.480 1.046 -8.191) 12.572 2.673 ( -1.385 4.184 -5.184) 6.804 2.885 ( 11.513 14.529 4.081) 18.981 2.980 ( -0.448 8.185 0.800) 8.236 3.109 ( -2.131 14.354 -1.543) 14.593 3.202 ( 0.029 33.779 -2.444) 33.868 3.640 ( -3.827 4.474 -6.884) 9.058 3.692 ( -14.480 11.277 -3.575) 18.699 3.924 ( -2.945 24.527 -0.427) 24.707 4.194 ( -13.884 7.400 11.359) 19.405 4.313 ( -5.340 1.377 1.628) 5.750 4.432 ( -0.363 2.660 9.709) 10.074 4.662 ( 4.475 4.340 -5.599) 8.379 4.695 ( 5.049 2.948 -12.119) 13.456 5.007 ( 7.426 -7.739 -6.763) 12.680 5.384 ( 7.072 4.629 3.973) 9.339 5.624 ( 1.614 -1.891 -2.683) 3.658 5.831 ( 3.824 -1.365 0.172) 4.064 5.858 ( 3.395 0.174 1.734) 3.817 6.042 ( -2.004 8.004 3.320) 8.894 6.094 ( -2.846 -16.510 2.439) 16.930 6.405 ( -0.231 -1.832 7.351) 7.580 6.834 ( 3.186 7.715 -1.580) 8.495 7.244 ( 8.993 -5.599 1.733) 10.734 7.670 ( 5.251 -0.687 -2.534) 5.871 7.696 ( 2.098 -5.099 1.400) 5.689 8.148 ( -1.711 0.857 6.068) 6.362 8.377 ( -0.547 -2.101 4.095) 4.635 8.538 ( 2.182 4.539 -0.426) 5.054 8.608 ( -6.406 4.150 2.342) 7.984 8.919 ( 3.503 -0.213 -2.918) 4.564 9.159 ( -3.275 -6.785 6.821) 10.163 9.424 ( -1.901 3.035 2.716) 4.495 9.541 ( -8.227 10.342 -6.238) 14.613 10.157 ( 2.213 -8.673 2.243) 9.228 10.247 ( 0.856 -6.860 -5.338) 8.734 10.569 ( 1.554 0.988 -2.287) 2.936 10.671 ( -3.276 6.327 3.069) 7.757 10.992 ( 7.758 -3.618 0.138) 8.561 11.206 ( -4.721 -0.345 -1.622) 5.004 11.307 ( 1.330 -1.087 2.525) 3.054 11.390 ( 4.435 3.390 -2.195) 5.998 11.635 ( -0.302 8.067 -12.099) 14.545 11.889 ( -4.351 10.295 0.759) 11.202 11.970 ( 3.919 0.432 -4.477) 5.966 12.068 ( -1.285 10.085 4.694) 11.198 12.375 ( -0.851 5.129 -8.457) 9.927 12.603 ( -2.578 2.875 1.551) 4.162 12.975 ( 1.512 -10.561 6.078) 12.279 13.067 ( 6.199 -5.872 0.427) 8.549 13.245 ( -3.317 -4.904 0.316) 5.929 13.588 ( -1.401 -11.101 6.060) 12.725 13.800 ( -1.036 -2.903 -2.653) 4.067 14.078 ( -1.326 -8.345 3.078) 8.993 14.497 ( 5.731 -2.209 1.019) 6.226 14.747 ( 4.369 -7.933 -3.654) 9.766 15.630 ( 9.378 16.911 -1.314) 19.382 16.535 ( -3.470 2.973 6.228) 7.724 16.857 ( -0.930 47.149 -14.145) 49.234 17.330 ( 3.144 19.124 1.213) 19.419 17.850 ( -1.827 5.770 6.711) 9.037 18.144 ( -4.512 4.573 3.991) 7.564 18.435 ( 1.751 -4.297 -5.771) 7.406 18.541 ( -7.869 12.803 -9.740) 17.908 18.883 ( -14.150 7.468 8.403) 18.072 20.116 ( -1.909 8.013 8.448) 11.799 20.463 ( 2.820 -9.845 -0.553) 10.255 20.963 ( -2.651 -13.920 2.378) 14.368 22.945 ( 11.358 41.694 -13.088) 45.152 25.030 ( 0.432 -20.198 -7.915) 21.698 25.855 ( -8.790 -2.402 -1.769) 9.282 26.034 ( -13.562 -5.862 0.337) 14.778 28.073 ( 3.793 -3.456 8.852) 10.232 28.427 ( 0.528 -6.034 2.511) 6.557 ======================= Grid point 100 (48/128) ======================= q-point: ( 0.30 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 24.063 8.793 -15.851) 30.127 2.011 ( 3.435 1.781 -9.111) 9.898 2.188 ( 0.329 13.484 -4.604) 14.252 2.379 ( 2.747 5.969 1.644) 6.773 2.532 ( 0.095 -1.392 -8.815) 8.925 2.639 ( 1.245 3.741 0.048) 3.943 2.886 ( -4.977 1.704 -6.127) 8.075 2.961 ( -1.929 3.354 -1.367) 4.104 3.199 ( 1.537 33.585 -0.582) 33.625 3.326 ( 7.122 9.415 2.781) 12.128 3.371 ( -14.586 14.398 -5.983) 21.351 3.534 ( -1.213 19.098 -6.836) 20.321 3.882 ( -4.874 23.198 5.308) 24.291 4.022 ( -3.213 2.537 15.496) 16.028 4.184 ( -6.873 6.473 3.481) 10.063 4.463 ( 2.037 3.370 6.816) 7.872 4.675 ( -1.375 1.452 -7.043) 7.321 4.792 ( 4.610 0.913 -10.875) 11.847 5.142 ( 5.903 -11.770 -4.533) 13.926 5.472 ( 1.516 2.418 12.011) 12.346 5.676 ( 2.659 -3.196 -2.770) 4.996 5.846 ( -4.334 -3.507 0.870) 5.643 5.875 ( 1.953 6.627 2.915) 7.499 6.000 ( 0.566 1.282 -0.788) 1.607 6.145 ( 4.706 -8.097 0.242) 9.368 6.394 ( -1.670 -3.192 7.270) 8.114 6.938 ( 7.568 9.565 -2.848) 12.525 7.381 ( 4.777 -3.641 2.321) 6.439 7.729 ( 2.190 -3.489 2.296) 4.716 7.803 ( 6.392 0.234 -1.441) 6.557 8.090 ( -4.376 6.666 10.095) 12.865 8.312 ( -6.019 -1.094 0.216) 6.121 8.592 ( 5.075 11.536 -0.955) 12.639 8.634 ( 6.470 -2.188 0.212) 6.833 8.992 ( 3.066 -4.501 -1.831) 5.746 9.092 ( -3.260 0.616 2.243) 4.005 9.359 ( -4.754 9.128 1.533) 10.406 9.437 ( -1.738 3.863 0.857) 4.322 10.068 ( -8.012 -5.842 -8.509) 13.066 10.278 ( 1.562 -9.244 -0.254) 9.379 10.597 ( -0.371 1.649 1.720) 2.412 10.618 ( -0.540 5.016 0.123) 5.047 11.062 ( -3.212 -9.701 -1.002) 10.268 11.180 ( 2.008 11.217 1.597) 11.507 11.318 ( 1.950 -1.712 -1.675) 3.089 11.515 ( 6.111 4.514 -1.469) 7.738 11.603 ( -1.288 8.909 -9.371) 12.994 11.811 ( -1.481 7.482 1.378) 7.751 12.021 ( 0.597 11.118 7.889) 13.645 12.139 ( 6.475 -5.832 -5.342) 10.221 12.366 ( 1.063 8.108 -12.890) 15.265 12.524 ( -4.526 7.599 -2.945) 9.322 12.938 ( -4.935 -8.708 0.491) 10.022 13.115 ( 0.327 -13.532 2.335) 13.736 13.257 ( 1.626 -4.727 2.922) 5.790 13.566 ( -1.620 -10.892 4.949) 12.073 13.809 ( 2.118 -0.350 -1.924) 2.882 14.087 ( 2.530 -8.171 1.175) 8.634 14.623 ( 5.742 -6.096 -0.982) 8.432 14.829 ( 5.434 -8.458 -2.353) 10.325 15.817 ( 9.969 15.886 -1.430) 18.810 16.521 ( 1.415 22.438 5.029) 23.038 16.822 ( -2.717 36.214 -7.961) 37.178 17.437 ( 8.066 12.010 1.769) 14.574 17.781 ( -5.052 6.613 8.243) 11.714 18.063 ( -4.898 5.617 9.334) 11.944 18.404 ( -6.162 5.236 -4.326) 9.170 18.511 ( 4.603 -2.807 -9.576) 10.989 18.636 ( -10.528 13.833 5.791) 18.323 20.016 ( -7.923 11.208 8.500) 16.145 20.524 ( 3.350 -12.425 -0.221) 12.871 20.886 ( -5.244 -13.982 0.498) 14.941 23.214 ( 15.122 30.488 -2.129) 34.098 25.071 ( 3.764 -19.069 -3.173) 19.694 25.500 ( -19.855 4.502 -8.817) 22.186 25.940 ( -1.285 -4.611 -1.443) 5.000 28.089 ( -2.287 -2.036 6.656) 7.326 28.424 ( -1.076 -5.282 1.662) 5.641 ======================= Grid point 101 (49/128) ======================= q-point: ( 0.40 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -0.897 3.739 -13.302) 13.846 2.174 ( 5.166 5.624 -1.842) 7.856 2.280 ( 16.004 3.979 -18.738) 24.962 2.447 ( -1.067 8.937 2.152) 9.254 2.532 ( 4.070 -1.560 -11.885) 12.659 2.696 ( 2.486 6.883 0.359) 7.327 2.796 ( -2.207 5.041 -5.016) 7.446 2.955 ( 1.983 6.823 -3.195) 7.790 3.077 ( -11.152 8.925 -8.541) 16.642 3.198 ( -9.445 7.298 -4.894) 12.900 3.236 ( -2.561 36.711 0.405) 36.802 3.681 ( 5.830 7.129 4.467) 10.236 3.759 ( -7.154 22.287 10.170) 25.521 4.036 ( -1.825 6.657 5.860) 9.054 4.142 ( 6.928 12.775 5.908) 15.688 4.496 ( 0.267 4.231 5.262) 6.758 4.601 ( -5.799 0.184 -4.134) 7.124 4.822 ( -0.557 -0.818 -12.029) 12.070 5.238 ( 5.226 -11.263 -2.964) 12.765 5.472 ( -2.273 -0.330 11.050) 11.286 5.699 ( 0.224 -4.650 1.075) 4.778 5.762 ( -3.608 -3.732 3.360) 6.184 5.941 ( 3.877 7.772 0.610) 8.707 6.033 ( 2.663 1.009 1.228) 3.102 6.229 ( 3.644 -6.153 0.140) 7.152 6.360 ( -2.132 -4.241 5.390) 7.183 7.105 ( 9.453 7.869 -2.649) 12.582 7.424 ( -0.545 3.669 1.763) 4.107 7.752 ( -0.853 -5.520 4.750) 7.332 7.887 ( 2.131 -2.512 0.803) 3.390 8.005 ( -4.994 9.737 5.136) 12.088 8.239 ( -0.764 8.117 0.775) 8.189 8.701 ( 5.702 2.376 -4.585) 7.693 8.775 ( 6.836 -1.296 0.379) 6.968 8.971 ( -2.286 -0.942 -0.028) 2.472 9.118 ( 3.833 3.798 -0.732) 5.446 9.272 ( -4.160 11.355 2.492) 12.347 9.420 ( -2.313 4.131 2.944) 5.576 9.943 ( -1.931 -6.761 -7.904) 10.579 10.277 ( -1.789 -11.010 -0.675) 11.175 10.555 ( -2.105 7.229 5.966) 9.606 10.660 ( 3.188 -3.399 -3.196) 5.650 10.992 ( -2.886 -6.576 -0.125) 7.182 11.165 ( -2.746 16.005 1.709) 16.328 11.351 ( 0.278 -4.827 -0.975) 4.932 11.560 ( 0.584 13.277 -3.168) 13.662 11.636 ( 4.481 3.725 -7.074) 9.165 11.863 ( 5.485 5.969 -1.677) 8.278 12.010 ( -2.512 9.777 7.293) 12.454 12.180 ( -3.314 -4.829 -2.427) 6.340 12.417 ( 3.316 7.559 -10.550) 13.396 12.475 ( 2.525 6.513 -10.943) 12.982 12.828 ( -5.342 -9.938 -2.126) 11.481 13.126 ( 0.351 -16.125 0.127) 16.129 13.261 ( -0.791 -5.256 4.677) 7.080 13.539 ( -1.355 -9.717 5.936) 11.467 13.869 ( 3.711 2.524 1.397) 4.700 14.164 ( 4.763 -7.089 -1.004) 8.599 14.692 ( 2.147 -7.208 -1.894) 7.756 14.938 ( 4.528 -13.391 -1.974) 14.273 16.018 ( 10.965 18.259 -1.561) 21.355 16.529 ( -3.028 22.216 3.614) 22.710 16.753 ( -2.836 44.397 -1.908) 44.529 17.624 ( 9.511 3.006 4.136) 10.798 17.693 ( -3.834 3.549 5.441) 7.543 17.976 ( -4.185 8.060 7.982) 12.091 18.254 ( -10.250 0.927 1.452) 10.394 18.439 ( -4.236 23.573 3.104) 24.151 18.662 ( 6.382 -5.452 -8.598) 12.015 19.870 ( -6.950 12.993 7.858) 16.699 20.585 ( 2.868 -11.331 -0.075) 11.689 20.781 ( -4.935 -16.642 -0.843) 17.378 23.458 ( 9.044 24.896 1.874) 26.554 25.140 ( 1.440 -15.153 -0.826) 15.244 25.205 ( -7.310 7.781 -7.901) 13.281 25.926 ( -0.239 -7.284 -2.484) 7.699 28.021 ( -4.605 0.041 2.852) 5.417 28.394 ( -1.861 -4.855 0.526) 5.226 ======================= Grid point 102 (50/128) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 3.303 3.706 -9.118) 10.381 2.227 ( -0.531 -0.099 -1.284) 1.393 2.350 ( -4.485 5.669 -6.571) 9.768 2.460 ( 4.974 2.617 -18.048) 18.903 2.642 ( -3.463 3.763 -14.790) 15.650 2.757 ( 0.374 3.662 -4.493) 5.808 2.767 ( 9.274 9.435 -3.337) 13.644 2.912 ( -4.776 5.730 -1.108) 7.541 2.954 ( -5.090 6.661 -10.195) 13.199 3.101 ( 4.254 20.455 -0.564) 20.900 3.219 ( -0.386 28.037 2.639) 28.163 3.612 ( -5.546 12.136 11.979) 17.931 3.778 ( 3.306 10.325 9.864) 14.657 3.987 ( -1.789 18.269 1.482) 18.416 4.286 ( -1.604 1.399 -2.663) 3.410 4.417 ( -5.490 9.159 1.793) 10.827 4.536 ( 0.301 -0.158 3.506) 3.522 4.791 ( 0.322 2.507 -12.885) 13.131 5.342 ( 5.439 -11.461 -2.254) 12.885 5.414 ( -4.593 -1.457 6.223) 7.870 5.697 ( -0.358 -7.000 1.597) 7.189 5.711 ( -2.158 -2.612 7.001) 7.777 6.012 ( 3.917 6.450 4.927) 9.012 6.110 ( 4.732 1.818 2.433) 5.623 6.272 ( 0.363 -4.490 1.251) 4.675 6.334 ( -0.570 -6.798 2.748) 7.354 7.265 ( 5.970 2.462 -2.194) 6.820 7.369 ( -4.459 15.006 0.643) 15.668 7.699 ( -4.553 -4.142 6.913) 9.256 7.897 ( -0.896 -6.533 0.349) 6.603 7.936 ( -1.606 8.387 0.785) 8.575 8.249 ( 0.681 11.700 1.703) 11.842 8.781 ( 0.644 -2.581 -4.113) 4.899 8.835 ( 1.407 -9.379 1.426) 9.591 9.014 ( 5.676 7.508 -2.585) 9.761 9.167 ( 1.068 6.510 1.195) 6.704 9.215 ( -1.704 13.319 2.497) 13.658 9.312 ( -7.649 6.380 -0.490) 9.973 10.019 ( 8.993 -6.524 -0.783) 11.138 10.218 ( -3.546 -12.194 -2.910) 13.028 10.543 ( 0.339 8.419 5.153) 9.877 10.721 ( 2.876 -6.802 -0.572) 7.407 10.961 ( -0.253 -6.137 -0.601) 6.171 11.110 ( -2.541 16.346 1.507) 16.611 11.338 ( -0.729 -1.618 -0.655) 1.892 11.599 ( 3.689 12.457 -1.091) 13.038 11.711 ( 3.411 3.060 -8.431) 9.596 11.895 ( -4.839 5.227 1.316) 7.244 11.978 ( -1.716 11.840 -2.332) 12.189 12.065 ( -4.541 2.185 -2.177) 5.490 12.423 ( -0.079 -5.047 -6.667) 8.362 12.586 ( 6.464 7.143 -11.551) 15.041 12.756 ( -1.471 -11.731 -2.908) 12.176 13.135 ( 1.317 -13.033 -3.369) 13.525 13.261 ( 0.638 -6.291 7.032) 9.457 13.526 ( -0.758 -9.309 6.527) 11.395 13.936 ( 2.646 3.862 4.045) 6.187 14.247 ( 3.591 -6.003 -0.508) 7.014 14.720 ( 1.096 -8.137 -1.238) 8.304 14.968 ( -1.116 -15.500 -3.154) 15.857 16.176 ( 1.718 15.145 -2.139) 15.392 16.431 ( -3.623 26.076 2.572) 26.452 16.717 ( -1.188 45.033 0.615) 45.053 17.608 ( -5.069 -0.617 5.735) 7.679 17.759 ( 1.850 5.925 6.569) 9.038 17.948 ( -2.448 5.292 1.595) 6.045 18.086 ( -1.721 10.908 1.783) 11.185 18.417 ( 1.137 16.846 2.737) 17.105 18.763 ( 4.403 -6.124 -5.100) 9.105 19.797 ( -0.728 14.159 7.561) 16.068 20.612 ( -0.662 -6.032 -0.891) 6.134 20.730 ( 0.477 -22.205 -0.450) 22.214 23.550 ( 0.912 24.052 2.188) 24.169 25.098 ( 0.676 9.169 -7.079) 11.604 25.226 ( 2.707 -14.544 2.369) 14.982 25.916 ( -0.883 -8.147 -3.086) 8.756 27.938 ( -3.672 1.651 -0.189) 4.031 28.365 ( -0.966 -4.965 -0.344) 5.069 ======================= Grid point 103 (51/128) ======================= q-point: (-0.40 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -10.022 4.358 -15.445) 18.921 2.160 ( -3.159 0.214 -2.154) 3.830 2.298 ( 0.306 8.098 -13.104) 15.407 2.459 ( -3.390 7.426 1.703) 8.339 2.567 ( -5.677 4.264 -17.664) 19.038 2.676 ( -1.904 1.940 -3.848) 4.711 2.825 ( 1.935 -0.852 -12.880) 13.052 2.931 ( 4.863 2.037 -0.634) 5.310 3.014 ( 5.912 15.311 -5.372) 17.270 3.175 ( 1.151 13.078 0.927) 13.161 3.200 ( 0.461 31.724 1.175) 31.749 3.626 ( 5.612 10.360 9.861) 15.365 3.860 ( 3.813 13.007 9.127) 16.341 3.973 ( -5.503 17.603 8.304) 20.226 4.049 ( -9.696 6.813 -2.259) 12.064 4.366 ( -3.421 4.750 -5.330) 7.917 4.535 ( -0.812 1.340 -5.811) 6.018 4.856 ( 5.838 4.029 -5.768) 9.142 5.295 ( -7.983 -1.501 3.745) 8.944 5.424 ( 2.268 -11.423 -1.888) 11.798 5.670 ( -0.397 -5.837 6.487) 8.736 5.738 ( 3.126 -4.976 1.231) 6.004 6.110 ( 5.246 5.008 6.227) 9.558 6.194 ( 2.727 1.276 7.764) 8.328 6.249 ( -1.832 -2.151 1.006) 2.999 6.338 ( 0.198 -9.938 2.588) 10.271 7.192 ( -9.878 17.416 -1.526) 20.080 7.369 ( 0.717 4.390 0.196) 4.452 7.624 ( -3.085 -3.749 3.852) 6.197 7.874 ( -1.166 -5.293 -0.473) 5.440 7.937 ( 1.246 6.294 1.985) 6.716 8.260 ( 0.629 6.124 1.237) 6.280 8.700 ( -7.188 -4.890 -1.468) 8.816 8.863 ( -1.103 -7.750 -0.388) 7.838 9.014 ( -6.011 3.930 1.625) 7.364 9.171 ( -1.230 13.872 3.668) 14.401 9.213 ( 1.206 -2.436 -4.337) 5.118 9.298 ( 9.020 20.577 0.914) 22.485 10.132 ( -2.705 -10.413 -1.972) 10.938 10.240 ( 10.260 -4.212 0.257) 11.094 10.568 ( 1.407 8.649 4.167) 9.703 10.752 ( -0.024 -8.921 1.313) 9.018 10.972 ( 1.293 -4.793 -1.162) 5.098 11.088 ( 0.360 9.948 -2.123) 10.178 11.339 ( 0.883 3.597 -0.996) 3.835 11.680 ( 2.731 10.133 1.443) 10.593 11.699 ( -6.595 5.836 -5.779) 10.533 11.807 ( -0.262 -0.931 -0.351) 1.028 11.818 ( -8.584 11.869 -3.714) 15.111 12.084 ( 2.474 4.024 -5.053) 6.917 12.405 ( -1.373 -8.086 -7.547) 11.146 12.667 ( 2.684 4.624 -3.958) 6.652 12.773 ( 3.435 -9.396 -4.972) 11.171 13.191 ( 4.899 -9.141 -1.795) 10.525 13.297 ( 2.334 -7.001 6.651) 9.935 13.511 ( -1.515 -8.485 6.306) 10.679 13.966 ( -0.093 3.142 4.841) 5.772 14.287 ( 0.124 -5.586 2.178) 5.997 14.724 ( -1.280 -9.526 -0.202) 9.614 14.909 ( -3.866 -13.393 -3.801) 14.449 16.039 ( -11.365 15.104 -0.885) 18.923 16.432 ( -0.444 33.497 -0.367) 33.502 16.730 ( 3.339 27.599 0.130) 27.800 17.485 ( -7.505 1.703 3.259) 8.358 17.784 ( 0.747 11.183 4.632) 12.127 17.819 ( -6.639 9.373 -0.103) 11.487 18.203 ( 8.230 14.748 0.367) 16.893 18.494 ( 7.060 6.663 4.060) 10.523 18.818 ( 1.582 -5.945 -1.532) 6.340 19.859 ( 6.159 13.482 7.992) 16.840 20.585 ( -1.395 -7.892 -0.074) 8.014 20.771 ( 2.862 -19.193 -1.012) 19.431 23.539 ( -1.075 26.482 5.046) 26.979 25.142 ( 3.030 10.036 -11.679) 15.694 25.274 ( 2.166 -16.395 4.603) 17.166 25.875 ( -3.235 -7.475 -4.754) 9.431 27.892 ( -0.975 2.581 -0.577) 2.819 28.359 ( 0.334 -5.416 -0.505) 5.450 ======================= Grid point 104 (52/128) ======================= q-point: (-0.30 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -22.486 9.701 -20.984) 32.250 2.064 ( -7.617 -0.002 -1.720) 7.809 2.258 ( -10.378 12.718 2.623) 16.624 2.379 ( -4.150 -0.184 -13.204) 13.842 2.452 ( 1.328 6.315 -7.327) 9.764 2.682 ( 3.610 7.427 -7.312) 11.030 2.961 ( 6.983 -3.793 -16.388) 18.213 3.008 ( 2.457 2.113 -1.379) 3.522 3.056 ( 0.473 18.687 -2.381) 18.844 3.135 ( 0.234 16.077 3.675) 16.494 3.291 ( 3.788 15.213 -1.122) 15.717 3.633 ( -9.996 23.354 2.497) 25.526 3.805 ( 4.663 6.614 12.884) 15.215 3.964 ( 3.554 6.726 7.330) 10.564 4.076 ( 2.549 20.810 -1.254) 21.003 4.321 ( 1.383 3.778 -5.188) 6.565 4.532 ( 2.255 3.712 -11.992) 12.754 4.935 ( 1.862 4.394 -1.695) 5.065 5.143 ( -6.856 -1.993 0.534) 7.159 5.401 ( -4.427 -8.253 2.336) 9.652 5.713 ( 3.354 -10.281 -0.300) 10.818 5.815 ( 4.479 -5.086 2.034) 7.076 6.113 ( -5.918 -2.775 4.123) 7.728 6.231 ( -1.436 -1.913 5.528) 6.023 6.275 ( 5.488 4.079 9.299) 11.542 6.349 ( 1.004 -7.394 5.947) 9.542 6.976 ( -11.508 22.834 -3.106) 25.758 7.338 ( -3.335 0.769 1.381) 3.690 7.578 ( -2.285 -5.435 -1.022) 5.984 7.842 ( -2.614 -3.561 0.448) 4.440 7.985 ( 3.264 4.691 5.297) 7.792 8.284 ( 1.614 -0.462 -0.379) 1.721 8.536 ( -8.356 -3.860 -2.225) 9.469 8.768 ( -6.542 3.560 4.569) 8.738 8.921 ( -3.458 -1.207 -2.505) 4.438 9.170 ( -0.011 3.106 4.601) 5.551 9.261 ( 4.315 -1.762 -2.850) 5.463 9.512 ( 11.625 22.103 1.187) 25.002 10.061 ( -3.931 -9.222 -5.289) 11.335 10.426 ( 7.419 5.212 1.959) 9.276 10.578 ( -1.151 3.064 5.081) 6.044 10.726 ( -1.566 -6.293 1.067) 6.572 11.026 ( 4.005 -4.900 -3.853) 7.409 11.077 ( -2.665 0.062 -2.813) 3.875 11.318 ( -6.165 9.148 -2.590) 11.331 11.513 ( -5.832 2.612 -2.030) 6.705 11.649 ( -3.219 11.682 -6.619) 13.808 11.807 ( 4.332 9.264 4.417) 11.140 11.853 ( 3.928 -4.876 -0.364) 6.272 12.109 ( 0.294 0.740 -5.954) 6.007 12.358 ( -2.541 -3.495 -6.581) 7.873 12.698 ( 0.983 1.933 1.240) 2.498 12.867 ( 6.591 -5.954 -5.490) 10.442 13.286 ( 2.921 -6.630 3.359) 7.986 13.360 ( 3.199 -4.765 6.266) 8.497 13.488 ( -0.164 -8.291 4.721) 9.543 13.943 ( -2.271 -0.237 3.108) 3.857 14.248 ( -4.395 -6.063 5.689) 9.404 14.639 ( -7.470 -7.284 -0.021) 10.434 14.856 ( -1.040 -11.354 -2.354) 11.642 15.828 ( -9.968 15.728 -1.111) 18.654 16.378 ( -3.765 28.787 -1.320) 29.062 16.857 ( 9.929 16.542 -2.398) 19.441 17.355 ( -5.569 7.690 -1.391) 9.596 17.723 ( -2.781 9.398 -3.216) 10.315 17.799 ( -0.192 15.850 6.103) 16.986 18.354 ( 7.830 19.636 -3.557) 21.437 18.692 ( 11.966 -2.397 5.528) 13.397 18.824 ( -0.424 -5.484 1.920) 5.826 20.022 ( 9.152 10.210 9.558) 16.714 20.557 ( -1.862 -8.830 1.117) 9.093 20.828 ( 3.208 -15.976 -1.245) 16.342 23.572 ( 5.363 31.025 12.555) 33.896 25.133 ( -3.754 10.173 -24.913) 27.171 25.332 ( 3.719 -16.745 6.474) 18.334 25.781 ( -5.902 -6.973 -7.649) 11.915 27.896 ( 1.082 2.914 1.927) 3.658 28.370 ( 0.646 -5.858 0.133) 5.895 ======================= Grid point 105 (53/128) ======================= q-point: (-0.20 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -20.913 16.103 -17.605) 31.727 1.897 ( -10.659 3.437 2.730) 11.527 1.955 ( -16.994 3.786 7.567) 18.984 2.261 ( -6.717 -4.143 -9.997) 12.737 2.527 ( -1.215 20.505 -10.124) 22.900 2.722 ( 1.572 12.467 -3.333) 13.000 2.911 ( -2.905 6.990 -0.563) 7.591 3.029 ( 1.386 6.853 -6.885) 9.813 3.108 ( 3.325 24.541 -3.485) 25.009 3.238 ( 9.345 1.277 -11.605) 14.955 3.375 ( 4.271 1.853 -4.528) 6.495 3.580 ( 3.734 23.325 5.793) 24.322 3.911 ( 3.988 5.358 7.505) 10.047 4.033 ( 5.243 1.439 -1.741) 5.709 4.121 ( 2.567 27.646 -0.328) 27.767 4.376 ( 2.445 7.218 1.469) 7.761 4.615 ( 6.242 3.570 -11.844) 13.856 4.944 ( 1.436 4.809 -4.873) 6.996 5.060 ( -2.311 -1.949 1.505) 3.377 5.272 ( -9.004 -5.913 4.126) 11.535 5.743 ( -0.928 -13.592 -6.576) 15.127 5.902 ( 3.956 -4.499 3.984) 7.195 5.967 ( -8.804 -3.054 5.340) 10.740 6.155 ( -6.169 -6.099 6.441) 10.805 6.366 ( 0.739 6.895 9.217) 11.534 6.383 ( 1.705 -3.936 8.673) 9.676 6.787 ( -6.033 18.604 -4.373) 20.041 7.256 ( -5.606 -0.188 2.791) 6.265 7.534 ( -1.710 -5.772 -4.533) 7.536 7.774 ( -3.871 -3.712 2.063) 5.746 8.061 ( 3.606 0.427 6.807) 7.715 8.280 ( -2.474 -6.207 -2.301) 7.067 8.454 ( 1.480 2.362 -2.198) 3.550 8.712 ( 0.961 7.017 6.353) 9.515 8.858 ( -2.178 -5.839 -4.186) 7.507 9.160 ( -1.741 -2.806 5.806) 6.679 9.356 ( 5.214 1.786 -1.731) 5.777 9.718 ( 8.727 13.166 -0.805) 15.816 9.970 ( -5.258 -2.091 -4.890) 7.479 10.419 ( -7.318 5.204 3.156) 9.518 10.620 ( 4.715 -1.910 4.517) 6.803 10.729 ( 0.484 1.549 0.986) 1.899 10.972 ( -6.488 0.542 0.936) 6.577 11.007 ( -7.130 -8.684 -9.829) 14.928 11.206 ( 0.017 8.469 -3.615) 9.209 11.471 ( -0.342 -2.180 -1.041) 2.440 11.654 ( 3.267 11.003 -3.746) 12.073 11.869 ( 0.984 9.152 0.362) 9.212 11.963 ( 6.268 -7.959 0.901) 10.171 12.092 ( -0.200 1.233 -4.626) 4.791 12.312 ( -1.464 0.976 -5.515) 5.789 12.708 ( -0.402 0.014 3.169) 3.195 12.995 ( 5.759 -4.761 -1.392) 7.601 13.276 ( -3.471 -1.128 6.019) 7.039 13.386 ( -0.766 0.085 8.064) 8.100 13.539 ( 3.004 -10.663 5.060) 12.179 13.919 ( 1.025 -5.848 -1.026) 6.025 14.142 ( -6.700 -7.228 7.687) 12.499 14.480 ( -7.925 -1.844 0.522) 8.153 14.834 ( -1.884 -11.844 -1.114) 12.045 15.649 ( -8.691 17.715 -0.919) 19.753 16.338 ( 0.513 16.704 -2.584) 16.911 17.087 ( 12.354 13.207 -4.022) 18.526 17.287 ( -0.565 15.437 -4.077) 15.976 17.672 ( -3.396 5.145 -0.394) 6.177 17.834 ( 5.559 19.473 -0.101) 20.251 18.506 ( 8.577 18.085 -6.835) 21.150 18.760 ( -3.480 -4.992 3.855) 7.204 18.979 ( 13.780 -4.555 5.353) 15.469 20.181 ( 4.886 3.545 10.780) 12.355 20.512 ( -2.939 -7.248 1.494) 7.962 20.890 ( 3.228 -14.602 0.337) 14.958 23.838 ( 22.535 35.070 18.971) 45.800 24.910 ( -17.094 11.899 -38.378) 43.665 25.431 ( 5.840 -13.692 5.525) 15.877 25.644 ( -7.162 -8.278 -8.945) 14.136 27.921 ( 0.742 2.896 4.629) 5.510 28.379 ( 0.173 -6.166 1.158) 6.276 ======================= Grid point 106 (54/128) ======================= q-point: (-0.10 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -1.261 21.507 0.129) 21.544 1.519 ( -23.111 11.992 14.484) 29.794 1.820 ( -2.285 -6.468 6.805) 9.663 2.127 ( -5.108 -6.734 -11.454) 14.235 2.395 ( -6.058 36.787 0.468) 37.286 2.771 ( 1.887 14.039 -3.842) 14.677 2.872 ( -1.582 4.619 -0.565) 4.914 3.156 ( 5.256 31.669 -4.444) 32.408 3.160 ( 5.274 11.141 -8.440) 14.940 3.335 ( 1.796 0.127 -19.458) 19.541 3.448 ( 5.106 -4.514 -6.815) 9.638 3.742 ( 10.568 16.330 8.228) 21.120 3.987 ( 4.772 3.029 -1.704) 5.903 4.146 ( -0.028 28.224 0.074) 28.225 4.188 ( 9.987 3.554 -2.068) 10.800 4.410 ( 1.433 7.080 -1.627) 7.404 4.701 ( 3.001 5.067 -1.768) 6.149 5.007 ( 0.154 -1.424 -6.987) 7.133 5.038 ( 2.045 1.828 -0.869) 2.877 5.076 ( -9.733 -3.499 3.776) 11.010 5.648 ( -7.657 -9.343 -4.957) 13.057 5.802 ( -7.222 -5.119 1.509) 8.979 5.980 ( 2.815 -4.595 3.725) 6.551 6.020 ( -8.018 -4.172 6.365) 11.055 6.297 ( -6.107 11.195 4.466) 13.512 6.420 ( 1.116 -2.446 9.474) 9.848 6.773 ( 3.445 4.433 0.130) 5.615 7.114 ( -9.303 -0.835 3.697) 10.045 7.519 ( 0.692 -5.551 -5.906) 8.135 7.728 ( -1.097 -6.139 3.243) 7.029 8.111 ( 0.922 -3.340 2.059) 4.031 8.260 ( 2.065 -8.634 -2.642) 9.262 8.546 ( 6.133 5.223 1.047) 8.124 8.736 ( -0.070 -0.489 -2.639) 2.685 8.924 ( 9.325 2.458 4.442) 10.617 9.138 ( 1.553 -5.079 5.837) 7.892 9.426 ( 0.970 -0.100 1.619) 1.890 9.730 ( -9.525 -8.958 -3.947) 13.658 9.889 ( -2.518 14.910 -4.032) 15.649 10.292 ( -3.244 -0.895 7.424) 8.151 10.643 ( -5.795 3.063 0.740) 6.596 10.720 ( 2.358 -5.256 1.369) 5.921 10.802 ( -5.133 -5.337 -5.663) 9.322 11.068 ( 10.255 5.360 -0.135) 11.572 11.200 ( -0.870 10.246 -4.773) 11.336 11.499 ( 2.646 -5.558 -1.443) 6.323 11.704 ( 1.229 6.501 -0.627) 6.646 11.827 ( -4.800 5.175 -6.851) 9.837 12.020 ( 1.125 -0.574 -1.214) 1.752 12.155 ( 4.348 6.199 -2.151) 7.871 12.309 ( 2.393 -0.946 -3.380) 4.247 12.670 ( -4.040 -0.777 2.015) 4.581 13.008 ( -6.389 -1.510 13.665) 15.160 13.210 ( -3.281 1.923 4.460) 5.861 13.360 ( -1.410 -1.537 1.140) 2.377 13.597 ( 3.260 -9.510 7.620) 12.615 13.979 ( 1.869 -8.201 1.990) 8.643 14.027 ( -3.458 -8.979 2.511) 9.944 14.369 ( -2.935 1.506 0.535) 3.342 14.765 ( -5.324 -11.436 0.631) 12.630 15.507 ( -5.495 20.959 -0.468) 21.672 16.390 ( 4.713 5.209 -4.981) 8.611 17.202 ( 0.989 24.709 -5.029) 25.235 17.348 ( 2.721 12.199 1.111) 12.548 17.610 ( -0.742 4.120 -2.519) 4.886 18.040 ( 14.340 11.757 -4.899) 19.180 18.651 ( 0.031 3.443 0.942) 3.570 18.698 ( 3.993 3.397 -5.167) 7.361 19.247 ( 13.759 -0.006 3.427) 14.179 20.165 ( -8.969 0.276 9.694) 13.209 20.443 ( -3.917 -6.530 0.820) 7.659 20.951 ( 2.772 -15.353 2.282) 15.768 24.121 ( -22.284 37.175 -61.117) 74.926 24.789 ( 34.333 10.240 33.942) 49.353 25.452 ( -5.236 -10.428 -13.257) 17.661 25.615 ( 6.938 -9.196 9.379) 14.855 27.916 ( -1.896 3.130 3.761) 5.247 28.381 ( 0.016 -6.521 2.050) 6.835 ======================= Grid point 107 (55/128) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 3.081 12.161 16.521) 20.744 1.482 ( 2.221 18.958 0.120) 19.088 1.694 ( 2.807 -8.269 12.864) 15.548 1.847 ( 5.076 -16.141 -4.568) 17.526 2.790 ( -1.212 6.896 -4.621) 8.389 2.853 ( -2.046 -0.997 -3.155) 3.890 3.043 ( -0.978 12.166 -1.059) 12.251 3.182 ( -2.894 -3.238 -11.305) 12.111 3.433 ( 4.329 5.894 -13.976) 15.774 3.507 ( 5.921 -1.974 -5.257) 8.160 3.907 ( 1.114 28.803 -1.089) 28.845 4.077 ( 6.937 5.900 1.554) 9.239 4.161 ( 8.437 1.110 -9.281) 12.592 4.338 ( -0.217 -9.068 -2.336) 9.366 4.558 ( -0.066 12.690 -0.212) 12.692 4.734 ( -7.741 9.295 6.447) 13.707 4.797 ( -8.644 2.376 4.062) 9.842 4.868 ( -0.071 -5.742 -0.584) 5.773 4.914 ( -2.169 21.032 2.718) 21.318 5.143 ( 5.408 0.946 -9.590) 11.050 5.326 ( 3.879 -11.374 -9.367) 15.236 5.513 ( 0.000 -19.148 0.935) 19.171 5.860 ( -4.537 0.331 4.615) 6.480 5.895 ( -0.685 -5.040 5.666) 7.614 6.407 ( -4.368 7.342 7.327) 11.255 6.443 ( -1.431 1.689 8.077) 8.375 6.840 ( -0.340 4.345 -1.927) 4.766 6.964 ( -3.805 -3.181 -0.020) 4.960 7.491 ( 1.025 0.792 -2.259) 2.604 7.564 ( -0.343 -6.565 1.646) 6.777 8.058 ( 2.357 -2.277 -0.965) 3.416 8.105 ( 2.948 -8.051 -2.516) 8.936 8.699 ( 0.657 4.260 1.758) 4.655 8.745 ( -0.281 -0.054 0.704) 0.760 9.171 ( 6.457 7.912 5.575) 11.635 9.250 ( 1.911 -3.232 1.793) 4.161 9.257 ( -8.338 -5.048 5.412) 11.149 9.361 ( 6.050 -9.581 5.641) 12.657 10.001 ( -4.535 8.139 -3.944) 10.117 10.143 ( -3.677 -7.589 0.540) 8.450 10.612 ( -0.342 1.672 -1.865) 2.528 10.667 ( 3.643 -3.137 1.355) 4.995 10.842 ( 0.737 9.830 1.393) 9.955 11.103 ( -0.248 -13.235 -2.156) 13.412 11.419 ( -1.117 10.166 -6.725) 12.240 11.549 ( -0.362 -0.484 -2.376) 2.451 11.733 ( -1.734 3.662 -6.060) 7.290 11.820 ( 0.135 -1.261 -1.687) 2.110 12.051 ( 4.052 2.880 1.981) 5.351 12.202 ( 7.113 -9.628 3.745) 12.542 12.510 ( 1.434 12.719 -2.603) 13.062 12.619 ( -3.970 2.098 -1.154) 4.636 12.937 ( -5.924 5.815 5.585) 10.005 13.106 ( -2.620 -9.407 -2.256) 10.023 13.298 ( -6.020 7.405 6.888) 11.769 13.495 ( -3.873 -10.024 10.473) 15.005 13.828 ( 0.843 0.999 0.508) 1.403 13.919 ( 3.028 -7.342 -0.492) 7.957 14.409 ( 0.517 3.274 1.182) 3.519 14.508 ( -1.759 -6.719 1.053) 7.025 15.864 ( -0.323 20.636 -1.017) 20.664 16.233 ( 0.634 -17.397 -1.472) 17.471 17.548 ( 3.085 8.252 -6.901) 11.191 17.636 ( 4.259 -0.235 -6.597) 7.856 17.931 ( -0.358 30.153 -3.678) 30.379 18.351 ( 1.000 -8.777 1.070) 8.899 18.481 ( -4.075 6.284 4.785) 8.888 18.685 ( -1.295 -10.688 -1.910) 10.934 19.757 ( 5.368 17.477 -0.304) 18.286 20.000 ( -2.008 -2.201 1.713) 3.437 20.312 ( -2.137 4.988 3.973) 6.725 20.623 ( -0.166 -20.823 5.118) 21.443 24.234 ( -23.005 36.251 -37.172) 56.790 24.818 ( -13.290 -24.723 -22.491) 35.968 25.669 ( 22.215 -1.867 19.725) 29.767 25.698 ( 15.526 -4.216 14.961) 21.969 28.010 ( -0.462 9.632 1.503) 9.760 28.214 ( 0.294 -10.661 2.159) 10.881 ======================= Grid point 108 (56/128) ======================= q-point: ( 0.10 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 5.682 15.905 -1.585) 16.963 1.684 ( 5.953 -6.413 3.516) 9.430 1.886 ( 17.859 8.127 12.157) 23.083 2.088 ( 15.521 -10.626 4.560) 19.355 2.741 ( -4.724 2.520 -7.285) 9.041 2.773 ( -5.935 -0.962 -5.027) 7.837 3.020 ( -0.949 8.290 -3.870) 9.198 3.101 ( -3.615 -0.896 -7.541) 8.411 3.435 ( -1.812 11.450 -5.659) 12.900 3.575 ( 1.595 -3.723 -2.427) 4.722 3.894 ( -1.709 28.344 -1.498) 28.435 4.140 ( -1.596 15.135 -0.097) 15.219 4.285 ( -2.151 -10.664 -1.600) 10.995 4.348 ( 5.843 -3.619 -12.557) 14.315 4.487 ( -5.928 6.519 4.776) 10.022 4.538 ( -9.593 1.638 7.040) 12.011 4.690 ( -2.048 4.463 -3.479) 6.018 4.824 ( -3.049 -7.325 0.978) 7.994 4.922 ( 1.690 28.653 1.378) 28.736 5.267 ( 7.264 -1.837 -6.049) 9.630 5.453 ( 8.008 -7.312 -6.480) 12.633 5.584 ( 6.601 -16.828 0.001) 18.076 5.790 ( -1.845 3.097 2.599) 4.444 5.876 ( -2.137 -8.142 5.340) 9.968 6.330 ( -3.855 9.764 6.918) 12.572 6.412 ( -2.059 -0.159 7.708) 7.980 6.870 ( 3.371 4.178 -2.081) 5.757 6.987 ( 5.176 -4.995 -1.185) 7.290 7.533 ( 3.899 -0.337 -1.909) 4.354 7.574 ( 1.471 -4.640 1.284) 5.034 8.118 ( 3.692 -0.666 0.845) 3.845 8.170 ( 3.944 -7.086 -0.809) 8.150 8.711 ( -1.352 5.283 2.705) 6.088 8.748 ( 1.826 3.904 -0.679) 4.363 8.956 ( -13.656 -1.881 6.102) 15.075 9.038 ( -8.838 -9.653 6.491) 14.609 9.468 ( 10.033 8.394 3.526) 13.548 9.674 ( 11.062 -11.187 4.329) 16.317 9.956 ( 1.200 7.977 -4.817) 9.396 10.100 ( -0.369 -7.499 -3.221) 8.170 10.621 ( 1.172 6.243 -3.990) 7.501 10.766 ( 5.929 -6.115 0.134) 8.518 10.835 ( -1.109 7.769 1.767) 8.044 11.064 ( -1.631 -12.484 1.996) 12.748 11.380 ( -2.475 6.935 -4.250) 8.502 11.484 ( -4.393 -1.147 -3.046) 5.468 11.720 ( 0.973 4.447 -6.783) 8.169 11.830 ( 1.307 -5.374 -3.598) 6.598 12.144 ( 3.748 10.367 7.372) 13.262 12.338 ( 2.558 -5.607 4.817) 7.822 12.488 ( -0.557 8.801 -0.039) 8.819 12.571 ( -0.254 4.560 -4.603) 6.484 12.851 ( -2.308 4.152 1.036) 4.862 13.039 ( -4.254 -8.849 -4.420) 10.767 13.217 ( -2.484 5.166 2.693) 6.333 13.419 ( -3.967 -11.870 7.482) 14.581 13.827 ( -1.418 3.217 1.491) 3.819 13.940 ( -0.856 -7.831 2.047) 8.139 14.438 ( 2.216 2.487 0.885) 3.447 14.524 ( 3.220 -6.002 -0.854) 6.865 15.883 ( 2.574 20.014 -0.861) 20.197 16.250 ( 1.387 -17.946 -0.473) 18.006 17.576 ( 1.219 12.301 -6.128) 13.796 17.669 ( -0.312 5.873 -1.441) 6.055 17.972 ( 4.378 21.956 -5.584) 23.074 18.333 ( -2.173 -11.822 1.735) 12.145 18.390 ( -6.053 10.384 3.912) 12.640 18.613 ( -5.848 -12.054 -1.866) 13.527 19.618 ( -13.083 27.233 0.929) 30.227 20.038 ( 1.354 -11.824 0.982) 11.942 20.353 ( 4.472 7.515 3.937) 9.590 20.649 ( 1.797 -19.173 4.915) 19.875 23.867 ( -10.959 43.845 -25.076) 51.685 24.591 ( -7.416 -31.332 -17.421) 36.608 25.874 ( 4.038 1.919 6.973) 8.283 25.976 ( 4.260 -9.518 11.408) 15.456 28.038 ( 3.152 8.891 3.151) 9.945 28.236 ( 1.655 -10.546 2.745) 11.022 ======================= Grid point 109 (57/128) ======================= q-point: ( 0.20 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 15.460 11.542 -8.736) 21.179 1.837 ( 10.042 -6.493 -4.377) 12.735 2.234 ( 15.878 9.079 11.505) 21.608 2.373 ( 12.688 -4.988 3.197) 14.003 2.572 ( -10.519 2.166 -9.758) 14.510 2.634 ( -7.674 -3.992 -7.257) 11.291 2.986 ( -2.504 3.248 -5.934) 7.213 3.039 ( -3.452 -1.591 -4.732) 6.070 3.422 ( 1.608 12.015 -0.833) 12.151 3.565 ( -2.809 -3.231 -5.138) 6.688 3.854 ( -2.346 22.274 -0.508) 22.403 4.023 ( -8.502 18.154 4.992) 20.658 4.149 ( -10.599 -6.249 2.456) 12.547 4.314 ( -3.528 -7.917 5.427) 10.226 4.410 ( -2.850 16.857 6.731) 18.373 4.555 ( 5.539 9.549 -11.721) 16.101 4.676 ( 0.318 -2.267 -7.519) 7.860 4.794 ( 0.674 -13.710 -0.211) 13.728 4.951 ( 0.782 24.931 0.955) 24.962 5.378 ( 3.590 -10.152 -0.747) 10.794 5.570 ( 4.088 -0.874 0.349) 4.195 5.698 ( 3.333 -13.617 0.905) 14.048 5.835 ( 6.270 -1.396 -1.173) 6.530 5.850 ( 0.872 -2.279 1.947) 3.122 6.267 ( -3.323 10.554 5.697) 12.445 6.381 ( -2.093 -2.030 7.320) 7.880 6.960 ( 5.974 6.934 -3.231) 9.706 7.113 ( 7.262 -7.958 -0.565) 10.788 7.621 ( 3.481 -1.447 1.085) 3.923 7.642 ( 6.536 -2.410 -0.428) 6.980 8.192 ( 3.621 2.533 4.309) 6.172 8.252 ( 4.274 -4.949 1.034) 6.621 8.635 ( -5.540 6.101 2.020) 8.485 8.732 ( -6.125 3.749 4.986) 8.743 8.836 ( 3.421 -3.469 -1.258) 5.032 8.975 ( 1.217 -10.939 5.110) 12.135 9.558 ( -0.287 9.521 3.331) 10.092 9.682 ( -5.672 0.100 -3.097) 6.463 10.034 ( 2.984 -1.333 0.704) 3.343 10.109 ( 0.116 -6.677 -5.695) 8.776 10.631 ( -0.057 6.106 -4.741) 7.731 10.765 ( -3.340 -3.079 -5.751) 7.328 10.921 ( 6.866 4.020 3.738) 8.790 11.099 ( 4.000 -9.549 3.597) 10.960 11.350 ( 0.917 5.082 -0.774) 5.222 11.433 ( 0.928 -1.517 -0.855) 1.974 11.747 ( 2.074 5.575 -6.822) 9.051 11.880 ( 4.066 -7.348 -4.767) 9.657 12.151 ( -4.000 14.566 5.402) 16.042 12.279 ( -4.369 5.766 6.216) 9.538 12.519 ( 0.115 5.848 -3.402) 6.766 12.604 ( 3.398 -2.011 3.699) 5.410 12.839 ( -0.370 -1.589 -6.515) 6.716 12.943 ( -4.587 -8.112 -6.841) 11.561 13.208 ( 0.994 3.940 1.817) 4.451 13.370 ( -1.645 -10.995 4.828) 12.120 13.798 ( -0.646 2.993 1.122) 3.261 13.911 ( -1.377 -8.111 2.980) 8.750 14.500 ( 3.978 2.805 -0.463) 4.890 14.598 ( 3.981 -6.924 -1.993) 8.231 15.968 ( 6.332 17.706 -0.459) 18.810 16.298 ( 3.967 -16.221 0.428) 16.705 17.597 ( 0.718 14.948 -3.718) 15.420 17.635 ( -2.530 9.737 4.732) 11.117 18.047 ( 2.413 16.205 -0.017) 16.384 18.267 ( -5.361 8.720 1.290) 10.317 18.313 ( 0.332 -8.962 -1.725) 9.133 18.476 ( -7.588 -10.928 -1.032) 13.344 19.392 ( -9.953 36.206 0.434) 37.552 20.023 ( -2.038 -24.165 0.354) 24.253 20.410 ( 0.132 9.720 4.211) 10.594 20.666 ( -0.991 -15.418 4.229) 16.018 23.780 ( 2.674 42.662 -12.008) 44.400 24.519 ( 0.871 -32.929 -9.761) 34.356 25.849 ( -7.560 1.980 -0.308) 7.821 25.923 ( -6.433 -5.261 1.253) 8.404 28.106 ( 2.597 6.265 5.024) 8.440 28.271 ( 1.305 -9.487 3.179) 10.091 ======================= Grid point 110 (58/128) ======================= q-point: ( 0.30 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 16.852 4.672 -11.489) 20.924 2.026 ( 8.553 -0.380 -8.832) 12.300 2.367 ( -6.173 6.546 -11.477) 14.583 2.468 ( -3.155 -3.371 -9.059) 10.167 2.506 ( 9.190 5.439 4.822) 11.717 2.609 ( 7.177 -4.174 8.073) 11.581 2.914 ( -4.046 1.713 -5.958) 7.403 2.955 ( -3.309 -2.167 -5.509) 6.782 3.416 ( -6.411 3.644 -8.547) 11.288 3.441 ( -8.044 1.650 -7.159) 10.894 3.805 ( -2.396 10.498 5.664) 12.166 3.935 ( 0.047 20.044 8.787) 21.885 3.974 ( -6.890 0.543 6.928) 9.786 4.286 ( -0.833 -7.086 1.898) 7.382 4.375 ( -0.975 23.186 5.889) 23.942 4.587 ( -1.142 7.229 -2.158) 7.630 4.719 ( 4.740 0.846 -12.452) 13.351 4.828 ( 1.526 -7.472 0.512) 7.644 4.956 ( 0.585 11.260 -2.567) 11.563 5.386 ( -2.301 -18.465 2.695) 18.802 5.617 ( 0.593 2.291 6.120) 6.562 5.716 ( -0.708 -6.641 4.980) 8.331 5.921 ( 5.363 1.545 -2.171) 5.988 5.972 ( 6.499 -3.540 -2.541) 7.824 6.220 ( -1.596 9.294 3.052) 9.912 6.340 ( -2.606 -3.443 5.900) 7.311 7.086 ( 7.208 7.708 -2.854) 10.932 7.251 ( 6.819 -8.702 0.657) 11.075 7.684 ( 2.497 0.945 2.677) 3.781 7.759 ( 4.534 -5.185 1.568) 7.064 8.249 ( 0.299 7.338 6.217) 9.622 8.317 ( 2.649 0.242 3.098) 4.083 8.578 ( 1.156 1.485 -0.213) 1.894 8.666 ( -1.071 -5.462 0.617) 5.600 8.926 ( 5.200 2.669 -0.528) 5.868 9.048 ( 4.981 -6.965 1.473) 8.689 9.510 ( -3.713 8.155 0.794) 8.996 9.574 ( -4.008 3.594 -3.102) 6.213 9.996 ( -5.888 0.156 -3.100) 6.656 10.097 ( -0.949 -8.708 0.038) 8.760 10.617 ( -0.817 3.030 -2.315) 3.900 10.695 ( -3.525 -2.065 -1.476) 4.344 10.987 ( 0.243 5.146 0.269) 5.159 11.167 ( 1.976 -9.966 -1.363) 10.251 11.427 ( 6.630 10.040 0.135) 12.032 11.545 ( 8.947 -1.477 -1.123) 9.138 11.780 ( 1.717 8.142 -5.968) 10.240 11.957 ( 3.717 -10.200 -5.259) 12.063 12.051 ( -4.737 15.471 2.565) 16.382 12.222 ( -2.817 3.371 7.939) 9.073 12.510 ( -0.134 6.319 -4.926) 8.013 12.638 ( -0.875 0.498 3.893) 4.021 12.785 ( -3.983 -3.964 -9.557) 11.087 12.865 ( -2.855 -9.577 -7.412) 12.442 13.225 ( -0.242 2.362 4.443) 5.037 13.353 ( -1.085 -10.028 4.965) 11.243 13.833 ( 4.258 2.818 -0.753) 5.161 13.931 ( 3.628 -7.243 0.916) 8.153 14.575 ( 3.403 1.402 -1.134) 3.851 14.666 ( 3.265 -7.401 -1.773) 8.281 16.123 ( 9.546 15.666 -0.483) 18.351 16.408 ( 6.989 -13.410 0.141) 15.123 17.539 ( -4.808 16.172 8.421) 18.857 17.639 ( 0.436 3.836 5.324) 6.576 18.038 ( -2.556 20.516 -0.177) 20.675 18.194 ( -2.839 7.542 5.376) 9.687 18.341 ( -6.171 -7.125 -0.000) 9.426 18.370 ( 5.452 -10.532 -9.377) 15.119 19.232 ( -6.903 41.352 0.478) 41.927 19.974 ( -3.049 -28.140 0.404) 28.307 20.377 ( -2.976 8.502 3.016) 9.500 20.614 ( -4.414 -13.547 2.682) 14.498 23.895 ( 8.396 37.882 -2.823) 38.903 24.582 ( 5.301 -31.521 -3.062) 32.110 25.633 ( -11.756 8.825 -5.807) 15.805 25.810 ( -5.288 -8.626 -3.070) 10.574 28.126 ( -0.967 5.771 4.172) 7.186 28.280 ( -0.720 -8.941 2.474) 9.305 ======================= Grid point 111 (59/128) ======================= q-point: ( 0.40 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 0.547 4.865 -10.914) 11.962 2.178 ( 2.925 -3.286 -6.819) 8.115 2.374 ( 6.734 5.503 -13.325) 15.912 2.470 ( 3.535 -4.158 -10.296) 11.653 2.609 ( 2.817 6.982 -0.530) 7.548 2.710 ( 2.408 -3.146 3.121) 5.044 2.881 ( 1.891 4.630 -2.554) 5.616 2.963 ( 4.630 -3.229 -2.314) 6.101 3.199 ( -11.297 4.595 -9.863) 15.685 3.244 ( -11.881 -0.093 -8.859) 14.821 3.780 ( -1.124 6.846 8.448) 10.931 3.875 ( -4.642 2.470 7.897) 9.488 3.978 ( 1.091 21.001 6.004) 21.870 4.279 ( 0.845 -1.698 3.827) 4.271 4.381 ( 0.317 13.165 -1.144) 13.218 4.543 ( -3.372 -1.838 1.059) 3.984 4.781 ( 0.489 19.907 -2.311) 20.047 4.838 ( 1.853 7.735 -5.168) 9.485 5.006 ( 4.905 -10.300 -7.046) 13.408 5.334 ( -2.382 -20.992 3.039) 21.344 5.604 ( -2.588 2.139 9.277) 9.866 5.689 ( -2.717 -4.614 8.146) 9.748 6.009 ( 3.589 2.568 -0.717) 4.471 6.065 ( 3.637 -1.928 -1.071) 4.253 6.220 ( 1.269 5.047 0.893) 5.280 6.300 ( -1.720 -2.826 3.142) 4.562 7.224 ( 6.962 6.683 -1.772) 9.812 7.369 ( 5.178 -7.248 1.415) 9.020 7.708 ( -0.482 1.986 4.550) 4.988 7.801 ( -0.232 -6.192 4.213) 7.492 8.203 ( -3.777 10.826 3.681) 12.042 8.368 ( 1.158 -2.116 4.244) 4.881 8.655 ( 5.138 -0.202 -1.757) 5.434 8.689 ( 3.393 -3.308 -2.729) 5.468 9.007 ( 2.570 4.761 -2.685) 6.039 9.135 ( 3.234 -5.116 -2.247) 6.457 9.459 ( -0.924 7.782 0.463) 7.850 9.544 ( 1.329 2.628 0.441) 2.978 9.873 ( -5.200 3.493 -1.660) 6.481 10.055 ( -3.475 -11.759 1.552) 12.360 10.605 ( -0.072 0.252 -0.296) 0.396 10.638 ( -1.877 -1.574 0.892) 2.607 10.980 ( -0.448 7.272 0.618) 7.312 11.183 ( 0.417 -11.328 -0.601) 11.351 11.531 ( 2.836 17.805 -2.062) 18.147 11.706 ( 6.975 0.595 -5.723) 9.042 11.800 ( 1.149 10.693 -3.746) 11.388 11.985 ( 0.500 -3.697 -2.781) 4.653 12.039 ( 2.969 3.241 -4.071) 5.991 12.165 ( -3.889 1.026 5.073) 6.474 12.481 ( -3.963 1.694 -0.862) 4.395 12.581 ( -5.690 -4.615 1.914) 7.572 12.705 ( -0.608 4.273 -13.635) 14.302 12.851 ( 2.091 -10.451 -5.509) 11.998 13.210 ( -1.298 1.519 6.100) 6.418 13.333 ( -1.259 -10.050 6.439) 12.002 13.938 ( 5.951 4.054 -0.496) 7.218 14.033 ( 6.059 -6.007 -0.899) 8.579 14.619 ( 1.362 0.437 -1.344) 1.963 14.714 ( 1.588 -8.967 -1.623) 9.250 16.311 ( 9.118 13.293 -0.831) 16.141 16.523 ( 3.695 -8.004 -0.249) 8.819 17.472 ( -2.841 14.460 11.501) 18.693 17.622 ( -2.909 -4.054 10.492) 11.619 17.993 ( -1.413 20.853 -4.358) 21.350 18.143 ( -3.239 6.844 3.588) 8.379 18.239 ( -3.982 1.736 0.873) 4.431 18.478 ( 5.906 -12.260 -7.000) 15.303 19.130 ( -3.600 44.893 1.102) 45.051 19.913 ( -2.979 -24.939 0.806) 25.130 20.334 ( -1.228 1.744 1.717) 2.738 20.523 ( -4.618 -11.542 1.081) 12.478 24.046 ( 6.322 34.228 1.511) 34.840 24.683 ( 4.676 -29.780 1.059) 30.163 25.451 ( -5.901 14.727 -6.608) 17.186 25.728 ( -2.616 -13.034 -4.200) 13.942 28.086 ( -2.966 6.751 1.813) 7.593 28.252 ( -2.039 -9.178 0.972) 9.452 ======================= Grid point 112 (60/128) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 1.687 4.501 -7.804) 9.166 2.187 ( -0.503 -3.483 -5.176) 6.259 2.431 ( -1.899 3.114 -9.832) 10.487 2.471 ( 3.208 -0.936 -15.190) 15.553 2.712 ( 1.556 3.576 -4.984) 6.329 2.776 ( 5.444 -2.500 -1.796) 6.254 2.869 ( -7.539 4.681 -3.492) 9.536 2.935 ( -7.836 -1.407 -4.010) 8.914 3.070 ( 1.214 5.821 -9.260) 11.004 3.156 ( 5.792 -2.765 -2.717) 6.970 3.770 ( -0.240 6.429 10.944) 12.695 3.816 ( -1.534 5.865 7.911) 9.967 3.976 ( -0.628 22.291 5.562) 22.983 4.284 ( -3.696 -4.219 1.643) 5.845 4.357 ( -2.606 6.725 -5.779) 9.242 4.474 ( -2.067 -5.339 -1.255) 5.861 4.753 ( -1.817 29.783 3.089) 29.998 4.902 ( 4.014 9.158 -8.694) 13.250 5.108 ( 5.942 -11.541 -6.281) 14.421 5.323 ( 0.875 -18.917 2.801) 19.143 5.538 ( -4.806 -0.149 9.544) 10.687 5.627 ( -4.350 -5.635 9.835) 12.141 6.069 ( 2.933 2.052 1.032) 3.725 6.122 ( 2.405 -2.303 0.855) 3.437 6.250 ( 1.409 2.250 1.361) 2.983 6.280 ( -0.675 -0.649 1.232) 1.547 7.335 ( 4.246 5.470 -0.699) 6.960 7.446 ( 2.564 -3.993 2.263) 5.257 7.674 ( -3.195 2.324 5.644) 6.889 7.772 ( -2.780 -6.431 4.527) 8.341 8.148 ( -1.722 12.709 1.356) 12.896 8.362 ( -1.604 -5.858 2.905) 6.733 8.709 ( -0.286 1.055 -2.368) 2.608 8.745 ( 0.897 -1.353 -3.040) 3.446 9.021 ( -0.047 2.242 -3.800) 4.412 9.137 ( -2.542 -6.801 -5.398) 9.047 9.507 ( 6.188 12.730 3.065) 14.482 9.575 ( -0.687 10.993 2.921) 11.395 9.869 ( 6.416 -5.828 1.763) 8.845 9.978 ( -3.971 -12.099 0.315) 12.738 10.613 ( 0.823 -0.707 1.004) 1.478 10.632 ( 0.769 -2.395 1.517) 2.937 10.981 ( 0.675 8.881 1.819) 9.091 11.197 ( 1.113 -11.077 1.409) 11.221 11.523 ( -2.851 22.171 -4.622) 22.827 11.777 ( 1.216 1.265 -8.515) 8.694 11.841 ( 2.406 6.905 -2.426) 7.704 11.983 ( -1.137 -1.790 -2.931) 3.618 12.042 ( -4.012 4.337 -2.964) 6.610 12.161 ( 5.122 4.059 -3.732) 7.526 12.334 ( -10.529 -1.906 0.906) 10.739 12.477 ( -2.844 -15.050 -1.934) 15.438 12.752 ( 4.648 8.822 -9.178) 13.552 12.919 ( 5.072 -9.018 -4.200) 11.166 13.199 ( -0.319 1.303 6.698) 6.831 13.321 ( -0.555 -10.112 6.674) 12.128 14.035 ( 3.586 5.361 1.633) 6.653 14.136 ( 4.223 -5.368 -0.137) 6.831 14.629 ( -0.146 -0.494 -1.343) 1.439 14.718 ( -0.869 -9.517 -2.300) 9.829 16.414 ( -0.215 9.902 -1.100) 9.965 16.540 ( -0.719 -2.516 -0.228) 2.626 17.414 ( -5.475 14.653 10.164) 18.655 17.561 ( -4.237 -4.201 9.356) 11.096 17.979 ( 0.050 8.466 -2.510) 8.831 18.083 ( -1.243 -1.411 -0.070) 1.882 18.215 ( 1.133 20.354 0.951) 20.408 18.572 ( 4.085 -13.300 -3.303) 14.300 19.098 ( 0.087 46.522 1.532) 46.547 19.878 ( -0.352 -21.050 0.846) 21.070 20.334 ( 0.865 -4.793 1.582) 5.121 20.463 ( -1.078 -9.290 0.190) 9.354 24.125 ( 2.038 33.750 2.945) 33.939 24.755 ( 2.754 -29.315 3.229) 29.621 25.396 ( 0.065 16.096 -5.784) 17.104 25.698 ( -0.535 -14.225 -4.318) 14.875 28.031 ( -2.437 7.987 -0.240) 8.354 28.216 ( -1.499 -9.847 -0.321) 9.965 ======================= Grid point 113 (61/128) ======================= q-point: (-0.40 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -6.130 3.633 -10.285) 12.512 2.139 ( -3.969 -2.098 -6.092) 7.568 2.424 ( 1.201 5.448 -11.121) 12.442 2.508 ( -1.928 -2.432 -6.089) 6.835 2.648 ( -2.015 4.570 -17.521) 18.219 2.697 ( -4.777 0.486 -8.342) 9.625 2.797 ( -1.311 0.353 -1.695) 2.172 2.869 ( 0.022 -5.102 2.131) 5.529 3.186 ( 7.152 5.340 -3.148) 9.465 3.242 ( 2.206 -0.530 -0.203) 2.278 3.823 ( 4.057 9.579 7.506) 12.828 3.831 ( 2.492 11.212 6.278) 13.089 3.978 ( -0.735 11.038 9.768) 14.758 4.127 ( -9.432 3.741 -0.986) 10.194 4.291 ( -2.141 3.209 -9.943) 10.665 4.477 ( 1.374 -8.941 -3.916) 9.857 4.732 ( -0.363 32.994 1.868) 33.049 4.966 ( 3.441 6.053 -6.810) 9.739 5.213 ( 4.729 -8.399 -4.608) 10.684 5.321 ( -3.660 -2.683 5.548) 7.168 5.473 ( -1.219 -12.112 6.438) 13.770 5.555 ( -3.056 -9.671 7.097) 12.379 6.116 ( 0.951 -0.524 -0.178) 1.101 6.147 ( -0.333 -3.387 2.471) 4.206 6.280 ( 0.861 1.767 3.243) 3.792 6.285 ( 2.568 1.583 3.706) 4.779 7.369 ( -1.033 6.640 0.749) 6.761 7.462 ( -1.475 0.006 4.655) 4.883 7.609 ( -3.719 2.242 4.548) 6.288 7.721 ( -2.340 -8.117 1.372) 8.558 8.136 ( -0.282 12.685 0.621) 12.704 8.318 ( -3.269 -3.389 1.886) 5.073 8.647 ( -5.970 -0.623 -1.797) 6.266 8.694 ( -4.116 -6.417 -2.732) 8.098 9.004 ( -1.873 0.858 -1.382) 2.481 9.079 ( -2.083 -6.285 -3.262) 7.381 9.524 ( -3.504 16.166 0.961) 16.570 9.662 ( 7.011 9.307 5.118) 12.726 9.938 ( 1.349 -4.966 -2.031) 5.532 10.080 ( 13.282 -11.534 4.101) 18.063 10.634 ( 0.636 -2.061 0.373) 2.189 10.648 ( 0.745 -1.699 2.136) 2.829 11.012 ( 2.103 10.006 2.151) 10.448 11.222 ( 0.590 -7.683 0.706) 7.738 11.439 ( -4.595 15.329 -5.981) 17.084 11.693 ( -9.795 -7.581 -9.429) 15.567 11.869 ( 0.834 7.200 -2.124) 7.553 11.933 ( -1.728 11.130 -2.289) 11.494 12.016 ( 0.135 4.193 -0.202) 4.200 12.111 ( -8.602 3.369 -1.090) 9.302 12.276 ( 3.903 -3.209 -6.683) 8.378 12.481 ( 3.197 -17.309 -3.003) 17.856 12.841 ( 5.158 10.272 -5.160) 12.599 13.031 ( 6.725 -8.527 -3.152) 11.308 13.212 ( 1.254 0.116 6.724) 6.840 13.317 ( -0.491 -9.500 5.896) 11.192 14.065 ( -0.938 6.028 4.217) 7.416 14.179 ( -0.221 -5.658 2.916) 6.369 14.613 ( -1.364 -1.209 -1.366) 2.278 14.687 ( -1.708 -8.481 -3.073) 9.181 16.308 ( -8.687 12.620 -1.026) 15.355 16.507 ( -3.579 -7.090 -0.818) 7.985 17.287 ( -6.845 15.872 5.260) 18.068 17.468 ( -5.616 -4.789 5.810) 9.393 17.989 ( 1.826 8.824 -1.489) 9.133 18.131 ( 4.085 0.279 0.160) 4.097 18.269 ( 4.664 17.941 1.370) 18.588 18.626 ( 1.672 -13.331 -0.370) 13.440 19.127 ( 2.546 46.110 0.727) 46.186 19.900 ( 2.194 -22.433 0.482) 22.545 20.363 ( 2.017 -3.057 2.533) 4.453 20.486 ( 3.069 -9.726 0.157) 10.200 24.157 ( 1.874 35.516 5.672) 36.015 24.808 ( 2.820 -29.866 5.571) 30.512 25.405 ( 0.499 14.602 -8.926) 17.122 25.678 ( -1.698 -12.801 -6.578) 14.491 28.002 ( -0.460 8.789 -0.504) 8.815 28.200 ( -0.103 -10.443 -0.527) 10.457 ======================= Grid point 114 (62/128) ======================= q-point: (-0.30 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -16.734 9.506 -15.440) 24.673 1.991 ( -10.932 -6.292 -9.302) 15.672 2.353 ( -8.547 0.932 1.991) 8.825 2.370 ( -10.164 -0.759 -0.751) 10.220 2.653 ( 5.876 11.609 -12.707) 18.187 2.778 ( 8.260 4.072 -11.247) 14.536 2.857 ( 8.228 -7.533 -13.882) 17.808 2.884 ( 2.686 -5.868 -1.511) 6.628 3.236 ( -2.846 4.145 1.238) 5.178 3.268 ( 1.204 0.868 1.312) 1.981 3.808 ( -4.187 16.952 1.659) 17.540 3.902 ( -1.963 4.351 8.032) 9.343 3.952 ( 1.415 6.374 9.949) 11.900 4.067 ( 4.562 9.059 -7.628) 12.691 4.323 ( 5.884 3.094 -4.314) 7.925 4.508 ( 2.847 -7.494 -6.018) 10.024 4.747 ( 1.749 33.648 0.499) 33.697 5.026 ( 3.255 3.684 -6.350) 8.031 5.201 ( -7.262 6.669 2.816) 10.254 5.243 ( -2.534 -6.416 3.009) 7.526 5.466 ( -0.713 -13.329 2.113) 13.514 5.560 ( 2.549 -19.488 1.971) 19.753 6.074 ( -4.508 0.040 0.716) 4.565 6.119 ( -3.182 -4.812 3.040) 6.521 6.326 ( 3.141 2.910 5.785) 7.197 6.356 ( 3.960 0.514 6.624) 7.735 7.295 ( -6.675 11.123 1.543) 13.064 7.401 ( -4.950 1.834 6.592) 8.446 7.546 ( -3.012 2.361 1.103) 3.983 7.683 ( -2.057 -10.085 -1.621) 10.419 8.106 ( -3.161 7.716 1.629) 8.496 8.242 ( -5.132 -4.932 1.219) 7.222 8.520 ( -4.001 3.009 -2.149) 5.448 8.652 ( -0.071 -9.418 -0.897) 9.461 8.947 ( -3.831 3.351 0.746) 5.144 9.052 ( -0.947 -7.568 1.292) 7.735 9.471 ( -1.573 14.379 -0.953) 14.496 9.708 ( -1.553 -7.648 0.466) 7.818 10.060 ( 9.278 13.419 1.698) 16.402 10.328 ( 10.497 -11.961 5.954) 16.991 10.615 ( -1.937 2.100 -0.765) 2.958 10.693 ( 4.161 -3.580 -0.744) 5.540 11.021 ( -4.235 8.710 0.057) 9.686 11.152 ( -7.201 1.240 -4.995) 8.852 11.387 ( -2.973 -0.353 -0.554) 3.045 11.472 ( -6.903 -6.100 -5.134) 10.545 11.854 ( -1.417 7.062 -2.398) 7.592 11.904 ( -1.957 12.752 -3.691) 13.419 11.987 ( -2.583 -0.174 0.442) 2.626 12.054 ( 2.294 -1.749 -0.365) 2.908 12.329 ( 2.451 3.738 -6.858) 8.186 12.566 ( 4.933 -14.685 -1.039) 15.527 12.936 ( 4.797 11.569 -3.846) 13.101 13.157 ( 5.295 -8.749 -0.508) 10.239 13.267 ( 4.139 -2.405 5.976) 7.657 13.320 ( 1.383 -6.875 3.897) 8.022 14.003 ( -5.803 5.517 5.992) 10.001 14.126 ( -5.557 -6.669 6.653) 10.937 14.570 ( -3.067 0.598 -1.510) 3.471 14.659 ( -1.102 -8.122 -2.803) 8.663 16.131 ( -8.791 15.366 -0.444) 17.709 16.401 ( -6.662 -11.539 -0.345) 13.329 17.220 ( 0.581 13.505 -1.347) 13.584 17.392 ( -1.674 -4.765 -0.248) 5.056 18.037 ( 2.472 16.064 -1.213) 16.299 18.178 ( 0.990 13.612 2.462) 13.868 18.404 ( 8.450 -0.596 1.603) 8.622 18.637 ( -0.442 -12.473 2.000) 12.640 19.194 ( 4.625 42.927 -1.091) 43.189 19.946 ( 2.202 -26.694 -0.376) 26.787 20.417 ( 3.106 2.083 4.057) 5.518 20.560 ( 4.004 -10.472 1.387) 11.297 24.246 ( 7.646 36.521 11.030) 38.909 24.892 ( 5.785 -28.927 8.865) 30.803 25.363 ( -4.482 12.995 -17.750) 22.451 25.604 ( -5.487 -11.290 -11.809) 17.234 28.010 ( 0.968 8.775 1.117) 8.898 28.206 ( 0.598 -10.470 0.438) 10.496 ======================= Grid point 115 (63/128) ======================= q-point: (-0.20 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -15.054 15.243 -12.208) 24.658 1.756 ( -10.802 -11.301 -6.940) 17.104 2.086 ( -17.347 5.451 6.866) 19.436 2.177 ( -11.297 -4.310 -0.436) 12.100 2.801 ( 7.410 7.324 -2.694) 10.762 2.864 ( 0.219 2.073 -1.474) 2.553 2.965 ( 8.018 3.856 -15.840) 18.168 3.061 ( 9.202 -2.784 -21.413) 23.472 3.178 ( 1.832 3.373 -2.157) 4.403 3.273 ( 0.279 -4.344 0.790) 4.424 3.779 ( 1.671 15.569 2.795) 15.906 3.861 ( -0.242 4.816 3.619) 6.029 4.002 ( 2.519 10.943 3.785) 11.850 4.200 ( 7.405 5.243 -3.673) 9.788 4.435 ( 4.721 5.016 1.756) 7.109 4.605 ( 7.664 -3.010 -7.870) 11.390 4.793 ( 2.757 29.613 -0.374) 29.743 5.051 ( -3.056 7.884 -0.272) 8.460 5.091 ( -1.349 2.796 -5.012) 5.896 5.144 ( -7.132 -5.391 6.278) 10.924 5.435 ( -2.961 -13.692 -5.054) 14.893 5.600 ( 0.518 -23.709 1.718) 23.777 5.973 ( -5.544 2.404 3.448) 6.957 6.041 ( -4.756 -4.638 5.070) 8.356 6.389 ( 2.463 2.896 7.454) 8.368 6.433 ( 2.925 -0.445 8.260) 8.774 7.123 ( -10.703 15.243 -0.769) 18.641 7.288 ( -7.737 -0.475 5.499) 9.504 7.500 ( -1.525 2.544 -1.240) 3.215 7.628 ( -3.229 -9.469 -1.096) 10.065 8.050 ( -1.972 0.039 2.037) 2.836 8.125 ( -5.521 -7.640 -1.252) 9.509 8.537 ( 5.023 7.066 -0.693) 8.698 8.696 ( 4.683 -8.276 0.231) 9.511 8.870 ( -3.488 7.162 3.079) 8.541 9.029 ( -1.889 -8.988 4.352) 10.164 9.462 ( 0.212 8.956 -1.783) 9.134 9.658 ( -3.188 -10.435 -2.986) 11.312 10.201 ( 3.181 14.750 4.555) 15.761 10.401 ( -4.950 -6.819 6.964) 10.931 10.611 ( 2.450 5.540 -3.610) 7.052 10.799 ( 1.772 -11.147 -8.094) 13.890 10.837 ( -8.144 6.764 -0.180) 10.588 10.966 ( -7.982 -4.116 -0.322) 8.987 11.345 ( 2.801 7.519 -1.287) 8.126 11.475 ( 1.420 -1.910 0.592) 2.453 11.839 ( 0.033 -0.254 -2.393) 2.407 11.873 ( -0.954 8.227 -2.779) 8.735 11.933 ( -2.489 -0.316 -2.343) 3.433 12.109 ( 2.295 -6.707 -1.109) 7.175 12.377 ( 3.469 12.668 -3.751) 13.660 12.646 ( 2.950 -10.467 1.277) 10.950 13.006 ( 2.418 8.017 -2.014) 8.613 13.191 ( -1.079 -8.465 1.626) 8.687 13.370 ( 6.149 -0.521 6.076) 8.660 13.411 ( 5.217 -3.305 4.103) 7.414 13.880 ( -6.066 2.643 4.230) 7.854 13.993 ( -8.223 -7.768 8.049) 13.883 14.499 ( -3.963 3.940 -0.782) 5.643 14.627 ( -2.331 -9.080 -1.561) 9.504 15.986 ( -6.140 17.010 -0.018) 18.084 16.286 ( -4.556 -13.020 -0.087) 13.795 17.302 ( 7.432 8.624 -6.758) 13.239 17.418 ( 4.534 -2.869 -5.639) 7.784 18.046 ( -1.867 23.885 -1.470) 24.002 18.210 ( 2.796 13.519 3.637) 14.277 18.556 ( 5.998 -8.309 -0.034) 10.248 18.618 ( -1.271 -9.045 4.684) 10.265 19.317 ( 8.751 35.714 -2.214) 36.837 19.981 ( 1.770 -26.834 -1.065) 26.913 20.464 ( 0.361 4.616 5.647) 7.302 20.624 ( 2.016 -11.421 3.325) 12.065 24.504 ( 18.389 32.687 15.331) 40.517 25.047 ( 6.799 -20.259 6.759) 22.413 25.191 ( -8.912 10.476 -22.916) 26.726 25.443 ( -9.703 -12.381 -16.486) 22.787 28.029 ( 0.579 8.297 2.786) 8.772 28.216 ( 0.206 -10.078 1.625) 10.210 ======================= Grid point 116 (64/128) ======================= q-point: (-0.10 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -0.545 18.449 -0.074) 18.457 1.632 ( -0.934 -13.108 2.685) 13.413 1.742 ( -17.726 11.239 7.841) 22.405 1.949 ( -10.969 -10.279 -1.640) 15.122 2.827 ( -2.455 6.552 -3.044) 7.630 2.869 ( 0.510 0.451 -0.995) 1.206 3.044 ( 1.272 13.339 -2.553) 13.641 3.189 ( 5.374 -0.589 -18.216) 19.001 3.305 ( 6.609 -0.660 -8.678) 10.928 3.356 ( 10.271 -4.422 -11.575) 16.094 3.846 ( 4.373 21.488 -1.089) 21.955 3.932 ( 6.601 4.045 4.087) 8.755 4.056 ( 3.441 8.002 -1.156) 8.787 4.308 ( 3.701 -3.815 -1.030) 5.415 4.515 ( 3.658 14.127 -0.315) 14.597 4.746 ( 5.871 6.637 -1.637) 9.011 4.837 ( 1.688 17.486 -0.908) 17.591 4.962 ( -6.460 3.487 2.533) 7.766 4.992 ( -6.642 -2.571 5.544) 9.026 5.099 ( 0.656 3.883 -8.164) 9.064 5.349 ( -4.217 -13.597 -8.508) 16.584 5.565 ( -3.897 -23.801 1.151) 24.146 5.898 ( -2.096 1.446 5.544) 6.101 5.955 ( -4.644 -3.282 5.943) 8.225 6.430 ( 0.992 2.755 8.386) 8.882 6.466 ( -0.711 1.549 8.422) 8.592 6.923 ( -8.377 12.677 -2.877) 15.465 7.112 ( -10.017 -3.515 2.417) 10.888 7.485 ( -0.085 1.933 -2.039) 2.811 7.580 ( -1.544 -7.545 1.215) 7.797 8.035 ( 0.069 -3.089 -0.010) 3.090 8.070 ( 0.223 -7.723 -2.892) 8.250 8.658 ( 5.344 6.670 1.220) 8.634 8.750 ( -0.566 -1.114 -0.861) 1.517 8.937 ( 12.002 1.307 6.346) 13.639 9.025 ( 3.711 -6.468 5.118) 9.044 9.431 ( -4.888 2.984 0.527) 5.751 9.550 ( -9.174 -8.651 -1.747) 12.730 10.141 ( -8.504 9.081 -0.447) 12.449 10.250 ( -7.962 -3.374 5.933) 10.487 10.632 ( 0.115 -1.983 -1.564) 2.528 10.657 ( -4.935 -3.446 -4.074) 7.268 10.808 ( 1.606 9.630 0.612) 9.782 11.038 ( 6.832 -10.315 -1.195) 12.430 11.422 ( 2.863 11.024 -4.720) 12.328 11.497 ( 2.539 3.567 0.583) 4.417 11.798 ( -3.886 0.661 -4.392) 5.901 11.843 ( -1.934 -3.140 -1.469) 3.970 11.962 ( 5.128 2.271 -1.584) 5.828 12.131 ( 0.791 -10.357 -0.343) 10.393 12.453 ( 4.137 15.408 -1.994) 16.078 12.670 ( -0.769 -4.311 1.157) 4.529 13.015 ( -1.752 4.432 2.248) 5.270 13.154 ( -2.383 -7.950 -0.044) 8.299 13.412 ( -5.032 5.953 10.130) 12.782 13.496 ( 3.747 -2.572 8.210) 9.384 13.840 ( 0.240 -4.494 1.549) 4.759 13.864 ( -2.629 -6.549 1.662) 7.250 14.430 ( -2.700 5.082 0.455) 5.773 14.566 ( -3.639 -8.891 0.327) 9.613 15.897 ( -3.115 19.217 -0.477) 19.473 16.234 ( -0.974 -15.152 -1.070) 15.221 17.449 ( 7.533 6.532 -8.561) 13.141 17.531 ( 6.737 -1.525 -7.456) 10.164 17.982 ( -3.851 28.572 -1.402) 28.864 18.289 ( 4.538 5.241 1.367) 7.066 18.551 ( -3.464 -4.381 4.650) 7.267 18.668 ( 2.995 -8.582 -0.381) 9.098 19.531 ( 13.265 26.006 -1.741) 29.245 20.016 ( 1.484 -19.223 -0.384) 19.284 20.413 ( -6.054 6.468 5.955) 10.675 20.637 ( -0.854 -15.435 4.768) 16.177 24.710 ( -17.500 24.768 -38.589) 49.079 24.992 ( 8.600 4.339 6.591) 11.671 25.232 ( 3.639 -6.826 -6.027) 9.806 25.391 ( 14.013 -13.349 14.847) 24.392 28.028 ( -0.944 8.408 2.533) 8.832 28.216 ( -0.349 -10.063 2.079) 10.281 ======================= Grid point 147 (65/128) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 1.422 0.000 8.525) 8.642 1.012 ( -9.265 0.000 23.102) 24.891 1.055 ( 0.918 0.000 8.130) 8.182 1.916 ( 1.316 0.000 -15.989) 16.043 1.916 ( 12.325 0.000 43.123) 44.850 2.171 ( -1.397 0.000 0.887) 1.655 2.315 ( 4.642 0.000 12.430) 13.269 2.616 ( -4.754 0.000 -24.574) 25.029 2.776 ( -1.643 0.000 -2.309) 2.834 3.167 ( 3.389 0.000 -13.561) 13.978 3.465 ( 1.790 0.000 -6.944) 7.171 3.528 ( 10.929 0.000 -7.634) 13.331 3.798 ( -7.115 0.000 -10.004) 12.276 3.920 ( 3.779 0.000 -8.888) 9.658 4.011 ( -1.128 0.000 -4.960) 5.087 4.279 ( -7.805 0.000 1.247) 7.904 4.618 ( 15.556 0.000 4.487) 16.190 4.677 ( 1.686 0.000 2.731) 3.210 4.875 ( -21.084 0.000 3.989) 21.459 5.059 ( -3.352 0.000 -3.394) 4.771 5.330 ( 5.614 0.000 -4.213) 7.019 5.633 ( 1.841 0.000 5.495) 5.795 5.870 ( -1.640 0.000 -5.896) 6.120 6.481 ( -1.553 0.000 9.947) 10.067 6.533 ( 2.516 0.000 3.365) 4.202 6.840 ( 2.845 0.000 5.407) 6.110 6.903 ( -2.941 0.000 1.920) 3.512 7.082 ( -5.118 0.000 2.517) 5.704 7.716 ( 6.416 0.000 -1.354) 6.558 7.894 ( -2.076 0.000 -2.257) 3.067 8.013 ( -5.772 0.000 -1.620) 5.995 8.036 ( -1.232 0.000 -9.191) 9.273 8.587 ( 3.050 0.000 3.840) 4.904 8.679 ( -4.582 0.000 1.035) 4.698 8.931 ( 7.094 0.000 -3.636) 7.971 9.263 ( -1.489 0.000 -6.101) 6.280 9.393 ( -2.528 0.000 7.576) 7.987 9.854 ( -0.131 0.000 -1.830) 1.834 10.029 ( 21.293 0.000 12.384) 24.632 10.395 ( 8.225 0.000 15.047) 17.148 10.505 ( -7.731 0.000 -9.031) 11.888 10.695 ( -6.526 0.000 0.824) 6.578 10.852 ( -3.656 0.000 1.190) 3.845 10.921 ( 1.626 0.000 4.671) 4.946 11.106 ( -3.396 0.000 -11.079) 11.588 11.200 ( -3.071 0.000 -0.131) 3.073 11.562 ( -6.141 0.000 -5.750) 8.413 11.695 ( 0.412 0.000 -2.267) 2.304 11.771 ( 3.433 0.000 1.947) 3.947 11.980 ( 4.341 0.000 2.137) 4.838 12.534 ( 11.397 0.000 -0.566) 11.411 12.672 ( -14.010 0.000 -3.920) 14.548 12.901 ( -10.222 0.000 9.970) 14.279 13.196 ( 6.753 0.000 -2.385) 7.162 13.794 ( 3.034 0.000 -1.585) 3.423 14.121 ( -2.066 0.000 3.025) 3.663 14.231 ( 2.039 0.000 -1.869) 2.766 14.307 ( -3.295 0.000 11.936) 12.382 14.330 ( 3.283 0.000 2.919) 4.393 14.741 ( 1.741 0.000 -7.540) 7.738 14.951 ( -0.626 0.000 -0.917) 1.110 15.810 ( -13.062 0.000 1.619) 13.162 16.486 ( 4.516 0.000 -6.332) 7.778 17.482 ( 5.083 0.000 -6.379) 8.157 17.723 ( 0.111 0.000 -0.051) 0.122 17.986 ( -44.221 0.000 -0.520) 44.224 18.188 ( 0.678 0.000 0.066) 0.681 18.751 ( -4.694 0.000 4.768) 6.691 19.340 ( -9.345 0.000 0.210) 9.347 19.550 ( 16.569 0.000 -5.510) 17.461 20.533 ( -0.190 0.000 -0.046) 0.195 20.756 ( -3.444 0.000 5.421) 6.422 21.334 ( 0.761 0.000 1.357) 1.556 25.349 ( -3.386 0.000 -7.060) 7.830 25.882 ( 1.606 0.000 0.888) 1.835 26.970 ( 37.297 0.000 -0.742) 37.304 27.834 ( 1.335 0.000 0.771) 1.541 28.556 ( 0.722 0.000 2.653) 2.750 ======================= Grid point 148 (66/128) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -12.460 0.000 22.486) 25.708 0.862 ( 0.506 0.000 3.563) 3.599 1.153 ( 8.280 0.000 7.092) 10.902 1.938 ( 1.898 0.000 -13.202) 13.337 2.162 ( 0.246 0.000 -1.657) 1.675 2.379 ( 25.208 0.000 30.799) 39.800 2.414 ( -11.526 0.000 -21.252) 24.176 2.422 ( 5.137 0.000 10.300) 11.510 2.768 ( 1.326 0.000 -2.238) 2.602 3.210 ( 1.252 0.000 -8.411) 8.503 3.531 ( 5.881 0.000 -9.761) 11.396 3.564 ( -14.701 0.000 -4.633) 15.414 3.702 ( 2.939 0.000 -6.510) 7.143 3.920 ( -9.076 0.000 -9.399) 13.065 4.000 ( 7.327 0.000 -16.244) 17.820 4.246 ( 4.706 0.000 4.677) 6.635 4.462 ( -16.729 0.000 -0.162) 16.729 4.665 ( -1.716 0.000 -1.176) 2.080 4.958 ( 17.087 0.000 8.761) 19.202 4.960 ( -4.972 0.000 2.918) 5.765 5.476 ( 9.104 0.000 -3.866) 9.891 5.776 ( 8.255 0.000 5.139) 9.724 5.867 ( 1.958 0.000 -5.156) 5.516 6.429 ( -4.818 0.000 10.628) 11.669 6.516 ( -4.251 0.000 0.567) 4.288 6.798 ( -4.165 0.000 4.885) 6.420 6.937 ( 1.622 0.000 2.539) 3.013 7.087 ( 4.870 0.000 2.875) 5.656 7.612 ( -19.651 0.000 7.550) 21.052 7.798 ( -0.028 0.000 5.510) 5.510 7.994 ( 0.388 0.000 1.933) 1.972 8.039 ( 4.650 0.000 -16.028) 16.689 8.589 ( -2.512 0.000 -1.562) 2.958 8.667 ( 2.206 0.000 3.674) 4.285 8.870 ( -6.146 0.000 -2.062) 6.483 9.326 ( -5.309 0.000 8.403) 9.940 9.352 ( 4.535 0.000 -4.617) 6.472 9.756 ( -7.570 0.000 0.232) 7.574 10.258 ( -10.062 0.000 -4.615) 11.070 10.365 ( 2.049 0.000 2.628) 3.332 10.636 ( 7.193 0.000 -3.515) 8.006 10.648 ( 13.870 0.000 13.987) 19.698 10.787 ( -1.520 0.000 1.362) 2.040 10.973 ( 3.863 0.000 3.050) 4.923 11.090 ( 2.487 0.000 -16.857) 17.040 11.298 ( 8.104 0.000 -0.615) 8.127 11.413 ( -8.431 0.000 1.062) 8.498 11.591 ( -7.802 0.000 -3.015) 8.364 11.840 ( 2.224 0.000 1.245) 2.549 11.980 ( -4.306 0.000 -1.747) 4.647 12.450 ( -6.872 0.000 -3.871) 7.887 12.704 ( -10.487 0.000 6.101) 12.133 12.893 ( 20.870 0.000 1.093) 20.898 13.318 ( 5.387 0.000 2.007) 5.749 13.698 ( -10.505 0.000 -2.836) 10.881 14.030 ( -6.578 0.000 1.774) 6.813 14.230 ( -1.875 0.000 -0.766) 2.026 14.304 ( 2.463 0.000 10.433) 10.719 14.608 ( 19.275 0.000 -3.208) 19.541 14.795 ( 4.438 0.000 -7.246) 8.497 14.926 ( -2.938 0.000 2.028) 3.570 15.243 ( -37.451 0.000 24.204) 44.592 16.575 ( 4.358 0.000 -4.718) 6.423 17.079 ( -21.729 0.000 10.615) 24.183 17.604 ( 8.175 0.000 -10.036) 12.944 17.730 ( 0.620 0.000 -0.154) 0.639 18.159 ( -3.365 0.000 -0.989) 3.507 18.651 ( -6.135 0.000 7.716) 9.858 19.313 ( -7.346 0.000 1.652) 7.530 20.158 ( 18.920 0.000 8.118) 20.588 20.569 ( 3.597 0.000 0.245) 3.605 21.000 ( 37.872 0.000 -2.794) 37.975 21.315 ( -2.682 0.000 0.551) 2.738 25.302 ( -0.782 0.000 -3.871) 3.949 25.911 ( 1.386 0.000 -0.576) 1.501 26.683 ( -40.579 0.000 -19.120) 44.858 28.271 ( 20.949 0.000 -5.890) 21.761 28.563 ( -0.255 0.000 1.904) 1.921 ======================= Grid point 149 (67/128) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 15.381 0.000 -7.344) 17.044 0.856 ( -1.161 0.000 2.063) 2.367 1.352 ( 11.285 0.000 0.227) 11.287 1.943 ( -0.685 0.000 -10.859) 10.881 2.122 ( -13.988 0.000 -22.724) 26.684 2.181 ( 2.083 0.000 -2.031) 2.909 2.525 ( 4.528 0.000 9.481) 10.507 2.783 ( 5.863 0.000 0.509) 5.885 2.937 ( 20.993 0.000 20.374) 29.254 3.198 ( -1.439 0.000 -2.412) 2.809 3.236 ( -16.568 0.000 -2.616) 16.773 3.480 ( -19.880 0.000 0.133) 19.880 3.638 ( -7.217 0.000 -1.060) 7.294 3.786 ( 6.806 0.000 -23.082) 24.065 4.104 ( 2.431 0.000 -9.817) 10.114 4.285 ( -2.704 0.000 -3.687) 4.572 4.460 ( 12.495 0.000 -0.777) 12.519 4.671 ( 3.682 0.000 -3.940) 5.392 4.898 ( -0.105 0.000 3.346) 3.348 5.308 ( 17.785 0.000 6.887) 19.072 5.646 ( 8.383 0.000 -1.543) 8.524 5.836 ( -0.605 0.000 -0.148) 0.623 5.937 ( 1.952 0.000 3.496) 4.004 6.323 ( -6.495 0.000 11.159) 12.912 6.423 ( -3.706 0.000 -0.467) 3.735 6.728 ( -3.849 0.000 5.231) 6.495 6.810 ( -15.249 0.000 9.194) 17.806 7.241 ( 9.923 0.000 0.948) 9.968 7.408 ( 0.047 0.000 3.110) 3.110 7.720 ( -7.269 0.000 6.597) 9.817 8.013 ( 1.434 0.000 3.302) 3.600 8.193 ( 11.259 0.000 -13.978) 17.948 8.495 ( -7.446 0.000 -2.855) 7.975 8.642 ( -4.160 0.000 -4.153) 5.878 8.892 ( 7.688 0.000 8.427) 11.407 9.201 ( -7.953 0.000 7.259) 10.767 9.357 ( -2.338 0.000 -4.871) 5.403 9.625 ( -5.804 0.000 2.934) 6.503 10.146 ( -3.721 0.000 -8.342) 9.134 10.305 ( -1.630 0.000 1.287) 2.077 10.642 ( -4.368 0.000 1.782) 4.718 10.817 ( 0.784 0.000 11.751) 11.777 10.947 ( 10.465 0.000 -2.952) 10.873 11.083 ( 3.222 0.000 -17.227) 17.525 11.159 ( 7.721 0.000 0.020) 7.721 11.311 ( 1.096 0.000 2.605) 2.826 11.407 ( 2.292 0.000 -2.821) 3.635 11.446 ( -5.643 0.000 -2.743) 6.274 11.854 ( -3.420 0.000 -3.661) 5.010 11.903 ( 1.000 0.000 2.530) 2.721 12.361 ( -2.612 0.000 -2.935) 3.929 12.504 ( -10.792 0.000 2.688) 11.122 13.240 ( 13.594 0.000 2.636) 13.848 13.414 ( 4.702 0.000 5.676) 7.371 13.438 ( -14.878 0.000 -2.041) 15.018 13.880 ( -9.114 0.000 -0.772) 9.146 14.163 ( -4.257 0.000 1.882) 4.655 14.420 ( 8.228 0.000 7.547) 11.165 14.583 ( -15.497 0.000 19.355) 24.795 14.843 ( 0.270 0.000 1.869) 1.888 14.906 ( 8.230 0.000 -6.630) 10.569 15.169 ( 15.793 0.000 -1.736) 15.888 16.618 ( -0.068 0.000 -0.692) 0.695 17.023 ( 9.524 0.000 -0.133) 9.525 17.744 ( 0.832 0.000 0.046) 0.833 17.750 ( 5.789 0.000 -7.292) 9.311 18.092 ( -1.322 0.000 -5.976) 6.121 18.533 ( -6.712 0.000 8.729) 11.011 19.091 ( -15.200 0.000 5.031) 16.011 20.213 ( -5.876 0.000 15.000) 16.110 20.653 ( 4.552 0.000 0.474) 4.576 21.241 ( -4.563 0.000 -0.482) 4.588 21.930 ( 48.086 0.000 2.174) 48.136 25.317 ( 2.455 0.000 -0.604) 2.528 25.817 ( -43.369 0.000 -23.825) 49.482 25.937 ( 1.439 0.000 -1.575) 2.133 28.435 ( -1.030 0.000 -3.157) 3.321 28.545 ( -1.775 0.000 0.908) 1.994 ======================= Grid point 150 (68/128) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -1.559 0.000 1.188) 1.960 1.202 ( 26.437 0.000 -21.713) 34.210 1.565 ( 10.637 0.000 -7.669) 13.113 1.892 ( -6.331 0.000 -21.498) 22.411 1.910 ( -0.738 0.000 -10.238) 10.265 2.228 ( 2.437 0.000 -0.447) 2.478 2.590 ( 0.101 0.000 8.189) 8.189 2.798 ( -10.981 0.000 -2.163) 11.192 2.904 ( -4.939 0.000 -1.564) 5.180 3.024 ( -21.550 0.000 -6.032) 22.378 3.190 ( 0.319 0.000 4.272) 4.284 3.413 ( 18.953 0.000 19.221) 26.994 3.495 ( -5.481 0.000 -1.778) 5.762 3.936 ( 6.740 0.000 -10.178) 12.208 4.083 ( -3.398 0.000 -7.732) 8.446 4.288 ( 2.841 0.000 -15.180) 15.443 4.552 ( -0.629 0.000 5.378) 5.415 4.709 ( -1.316 0.000 5.964) 6.108 5.086 ( 16.455 0.000 -12.117) 20.435 5.598 ( 9.835 0.000 7.163) 12.166 5.788 ( 6.178 0.000 1.498) 6.357 5.805 ( -1.558 0.000 1.092) 1.902 5.891 ( -5.997 0.000 3.658) 7.025 6.246 ( -0.413 0.000 9.161) 9.171 6.409 ( 1.781 0.000 0.503) 1.850 6.502 ( -14.736 0.000 9.732) 17.659 6.670 ( -2.987 0.000 3.171) 4.356 7.424 ( 6.878 0.000 -3.889) 7.901 7.504 ( 7.397 0.000 -0.522) 7.415 7.571 ( -6.637 0.000 7.562) 10.061 8.041 ( 0.485 0.000 1.023) 1.132 8.343 ( -6.621 0.000 -1.582) 6.807 8.400 ( 9.741 0.000 -7.767) 12.458 8.554 ( -4.828 0.000 -1.356) 5.014 9.066 ( 8.086 0.000 7.820) 11.249 9.076 ( -3.939 0.000 5.293) 6.598 9.313 ( -0.901 0.000 -7.161) 7.217 9.525 ( -5.524 0.000 4.915) 7.394 10.007 ( -7.955 0.000 -5.756) 9.819 10.399 ( 8.913 0.000 1.510) 9.040 10.562 ( -3.615 0.000 -2.740) 4.536 10.733 ( -8.668 0.000 10.377) 13.521 11.030 ( -1.266 0.000 3.515) 3.736 11.099 ( 2.812 0.000 -14.209) 14.485 11.280 ( 4.492 0.000 -1.940) 4.893 11.346 ( -4.136 0.000 -1.369) 4.357 11.439 ( 0.846 0.000 -4.201) 4.285 11.478 ( 11.590 0.000 -4.032) 12.271 11.786 ( -1.450 0.000 -6.450) 6.611 11.968 ( 3.441 0.000 6.781) 7.604 12.296 ( -10.553 0.000 1.540) 10.665 12.339 ( 0.726 0.000 -5.311) 5.360 13.157 ( -12.074 0.000 -0.942) 12.111 13.434 ( 5.164 0.000 2.377) 5.684 13.515 ( 5.146 0.000 6.889) 8.598 13.696 ( -8.969 0.000 -2.648) 9.351 14.106 ( -1.657 0.000 2.215) 2.766 14.439 ( -2.981 0.000 14.943) 15.238 14.585 ( 7.017 0.000 4.223) 8.190 14.845 ( 0.873 0.000 -1.269) 1.541 15.127 ( 15.585 0.000 -4.378) 16.188 15.410 ( 7.996 0.000 -4.316) 9.086 16.559 ( -6.268 0.000 2.319) 6.683 17.337 ( 21.599 0.000 -4.134) 21.991 17.744 ( -4.123 0.000 2.498) 4.821 17.763 ( 0.257 0.000 -1.252) 1.278 18.151 ( 5.198 0.000 -6.200) 8.090 18.422 ( -3.833 0.000 2.093) 4.367 18.764 ( -18.824 0.000 8.812) 20.785 20.067 ( -9.613 0.000 14.250) 17.190 20.720 ( 1.804 0.000 0.037) 1.804 21.161 ( -3.094 0.000 -0.992) 3.249 22.706 ( 30.880 0.000 8.072) 31.918 25.084 ( -28.808 0.000 -22.871) 36.783 25.389 ( 4.666 0.000 1.970) 5.065 25.966 ( 1.796 0.000 -2.182) 2.826 28.314 ( -9.645 0.000 -1.829) 9.816 28.498 ( -3.098 0.000 0.006) 3.098 ======================= Grid point 151 (69/128) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 0.227 0.000 -1.080) 1.104 1.585 ( 11.210 0.000 -20.711) 23.550 1.722 ( 6.708 0.000 -19.943) 21.041 1.928 ( 13.593 0.000 -18.629) 23.062 1.931 ( 3.400 0.000 -5.746) 6.677 2.264 ( 1.377 0.000 0.299) 1.409 2.474 ( -17.829 0.000 -3.707) 18.211 2.479 ( -11.128 0.000 0.692) 11.149 2.744 ( -6.193 0.000 -2.318) 6.613 2.889 ( -0.309 0.000 -0.403) 0.508 3.247 ( 4.111 0.000 11.432) 12.148 3.416 ( -1.203 0.000 0.453) 1.286 3.707 ( 5.236 0.000 5.816) 7.825 3.996 ( 0.301 0.000 1.374) 1.407 4.013 ( 0.246 0.000 4.060) 4.067 4.318 ( 0.320 0.000 -24.054) 24.056 4.553 ( 2.002 0.000 4.289) 4.734 4.654 ( -5.299 0.000 2.393) 5.814 5.316 ( 6.652 0.000 -7.899) 10.327 5.691 ( 0.988 0.000 10.293) 10.340 5.779 ( -4.356 0.000 0.041) 4.356 5.836 ( 5.405 0.000 1.462) 5.599 5.861 ( 1.462 0.000 2.203) 2.644 6.255 ( -11.416 0.000 5.624) 12.726 6.356 ( 8.966 0.000 4.039) 9.834 6.468 ( 2.943 0.000 1.241) 3.194 6.631 ( -1.029 0.000 3.104) 3.270 7.345 ( -8.582 0.000 3.962) 9.453 7.635 ( 7.150 0.000 -2.886) 7.711 7.652 ( 7.646 0.000 0.214) 7.649 8.006 ( -3.974 0.000 -3.625) 5.379 8.268 ( -1.487 0.000 2.595) 2.991 8.459 ( -4.643 0.000 0.387) 4.659 8.500 ( 0.925 0.000 -1.332) 1.621 9.114 ( 7.412 0.000 2.902) 7.960 9.159 ( -0.156 0.000 3.994) 3.997 9.310 ( 0.764 0.000 -5.372) 5.426 9.402 ( -7.889 0.000 5.709) 9.738 9.911 ( -0.115 0.000 -0.459) 0.473 10.483 ( -3.389 0.000 -3.801) 5.092 10.565 ( -8.744 0.000 9.138) 12.648 10.608 ( 11.114 0.000 -2.605) 11.415 10.977 ( -3.016 0.000 2.446) 3.883 11.175 ( 5.786 0.000 -6.821) 8.945 11.274 ( -3.010 0.000 -0.129) 3.012 11.357 ( 4.167 0.000 -7.800) 8.843 11.415 ( -3.063 0.000 -0.212) 3.070 11.629 ( 2.888 0.000 -12.612) 12.938 11.785 ( 0.527 0.000 -3.750) 3.787 12.015 ( 0.638 0.000 7.520) 7.547 12.142 ( -3.990 0.000 2.703) 4.820 12.385 ( 4.749 0.000 -7.719) 9.064 12.967 ( -7.628 0.000 -4.793) 9.009 13.445 ( -3.519 0.000 -1.326) 3.760 13.581 ( -2.184 0.000 1.913) 2.903 13.614 ( 4.207 0.000 6.610) 7.835 14.094 ( -0.002 0.000 1.100) 1.100 14.444 ( 1.591 0.000 10.900) 11.015 14.678 ( 2.683 0.000 1.822) 3.243 14.887 ( 3.783 0.000 -2.755) 4.680 15.465 ( 17.665 0.000 -1.834) 17.760 15.481 ( 0.618 0.000 -5.227) 5.264 16.390 ( -10.589 0.000 3.554) 11.169 17.654 ( -3.865 0.000 2.667) 4.695 17.771 ( 0.316 0.000 -0.767) 0.829 17.788 ( 24.453 0.000 -4.587) 24.880 18.112 ( -9.135 0.000 14.409) 17.060 18.394 ( -20.293 0.000 10.388) 22.797 18.481 ( 8.951 0.000 -15.783) 18.145 19.900 ( -8.095 0.000 13.983) 16.157 20.720 ( -1.223 0.000 -0.886) 1.510 21.131 ( -0.294 0.000 -0.755) 0.811 23.108 ( 10.527 0.000 6.128) 12.181 24.713 ( -8.335 0.000 -15.715) 17.789 25.485 ( 4.677 0.000 3.144) 5.636 25.997 ( 1.264 0.000 -2.402) 2.714 28.111 ( -10.182 0.000 -2.050) 10.386 28.436 ( -2.893 0.000 -0.509) 2.937 ======================= Grid point 152 (70/128) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 2.266 0.000 -2.745) 3.560 1.642 ( -2.473 0.000 -20.448) 20.597 1.805 ( 3.745 0.000 -28.965) 29.206 1.968 ( -0.885 0.000 -4.511) 4.597 2.123 ( -14.411 0.000 -7.431) 16.214 2.252 ( 14.859 0.000 -13.154) 19.844 2.297 ( 1.858 0.000 -0.020) 1.858 2.313 ( -2.686 0.000 0.749) 2.789 2.705 ( 1.538 0.000 -0.429) 1.597 2.911 ( 3.196 0.000 -1.334) 3.463 3.320 ( 0.655 0.000 17.163) 17.176 3.442 ( 3.771 0.000 2.767) 4.677 3.627 ( -8.054 0.000 -1.265) 8.152 3.979 ( -1.386 0.000 5.267) 5.446 4.119 ( 5.068 0.000 10.419) 11.586 4.227 ( -7.249 0.000 -24.503) 25.553 4.500 ( -10.574 0.000 4.541) 11.507 4.656 ( 8.078 0.000 0.639) 8.103 5.358 ( -0.202 0.000 -7.274) 7.277 5.704 ( -0.859 0.000 8.798) 8.840 5.746 ( 0.610 0.000 -2.034) 2.124 5.882 ( 1.454 0.000 2.768) 3.127 5.973 ( 5.881 0.000 6.088) 8.465 6.080 ( -4.944 0.000 -0.243) 4.950 6.477 ( 1.286 0.000 1.495) 1.972 6.500 ( -0.176 0.000 1.874) 1.883 6.649 ( 2.745 0.000 2.088) 3.449 7.235 ( -2.062 0.000 5.832) 6.186 7.752 ( 5.431 0.000 -6.559) 8.516 7.791 ( 6.609 0.000 0.940) 6.676 7.904 ( -5.849 0.000 -4.956) 7.666 8.252 ( -1.318 0.000 3.722) 3.949 8.400 ( -0.703 0.000 1.542) 1.694 8.477 ( -2.544 0.000 1.965) 3.215 9.070 ( -8.130 0.000 1.968) 8.365 9.225 ( -8.032 0.000 5.510) 9.740 9.314 ( -0.278 0.000 -1.381) 1.408 9.314 ( 9.144 0.000 2.192) 9.404 10.013 ( 9.516 0.000 0.625) 9.537 10.400 ( -4.681 0.000 -7.233) 8.616 10.428 ( -6.139 0.000 8.880) 10.796 10.821 ( 10.114 0.000 -1.370) 10.206 10.946 ( 0.321 0.000 -4.093) 4.106 11.230 ( -1.798 0.000 1.108) 2.112 11.299 ( 6.813 0.000 -2.452) 7.241 11.357 ( -1.994 0.000 2.497) 3.195 11.428 ( 3.777 0.000 -7.033) 7.983 11.554 ( -7.088 0.000 -16.643) 18.090 11.739 ( -6.196 0.000 2.251) 6.593 12.024 ( 0.475 0.000 5.322) 5.343 12.173 ( 5.780 0.000 -2.105) 6.152 12.485 ( 4.786 0.000 -8.399) 9.667 12.854 ( -2.897 0.000 -6.594) 7.202 13.390 ( -0.388 0.000 -3.118) 3.142 13.565 ( -0.607 0.000 5.090) 5.126 13.676 ( 1.493 0.000 5.878) 6.065 14.100 ( 0.374 0.000 0.402) 0.549 14.499 ( 2.964 0.000 7.303) 7.882 14.703 ( -0.036 0.000 1.234) 1.235 14.982 ( 6.195 0.000 -4.486) 7.649 15.452 ( -2.563 0.000 -5.160) 5.762 15.656 ( -2.517 0.000 0.072) 2.518 16.264 ( 1.320 0.000 3.135) 3.401 17.621 ( 0.314 0.000 2.680) 2.698 17.770 ( -0.623 0.000 -0.604) 0.868 17.907 ( -12.237 0.000 15.812) 19.994 18.005 ( -20.687 0.000 8.110) 22.220 18.240 ( 22.214 0.000 -2.830) 22.393 18.644 ( 8.406 0.000 -14.268) 16.560 19.813 ( -1.577 0.000 15.371) 15.451 20.697 ( -0.608 0.000 -1.016) 1.184 21.132 ( 0.119 0.000 -0.667) 0.677 23.187 ( -0.127 0.000 3.054) 3.056 24.654 ( 0.086 0.000 -10.836) 10.837 25.565 ( 3.260 0.000 2.581) 4.158 25.997 ( -1.307 0.000 -2.263) 2.614 27.957 ( -4.995 0.000 -0.561) 5.027 28.398 ( -0.774 0.000 -0.407) 0.875 ======================= Grid point 153 (71/128) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 1.504 0.000 -1.938) 2.453 1.421 ( -18.523 0.000 -20.755) 27.818 1.777 ( -6.292 0.000 -15.473) 16.703 1.869 ( -8.266 0.000 -16.105) 18.103 1.880 ( -4.554 0.000 -13.699) 14.436 2.284 ( -0.155 0.000 -0.541) 0.563 2.473 ( 13.425 0.000 2.118) 13.591 2.551 ( 16.211 0.000 -5.768) 17.206 2.788 ( 6.972 0.000 -2.190) 7.308 2.989 ( 3.772 0.000 -3.644) 5.245 3.265 ( -7.384 0.000 17.884) 19.349 3.438 ( -6.211 0.000 -1.448) 6.377 3.617 ( 8.226 0.000 6.952) 10.770 3.975 ( -0.966 0.000 2.484) 2.665 4.042 ( -7.168 0.000 -21.286) 22.461 4.089 ( -10.960 0.000 2.306) 11.200 4.338 ( -3.902 0.000 13.511) 14.063 4.823 ( 7.677 0.000 1.673) 7.857 5.307 ( -4.445 0.000 -14.417) 15.086 5.642 ( -6.127 0.000 7.357) 9.574 5.756 ( 0.236 0.000 0.199) 0.309 5.931 ( 1.903 0.000 3.031) 3.579 6.019 ( 4.363 0.000 3.494) 5.589 6.162 ( 8.202 0.000 2.604) 8.605 6.412 ( -5.975 0.000 2.768) 6.585 6.469 ( -2.984 0.000 1.961) 3.571 6.722 ( 4.109 0.000 1.554) 4.393 7.270 ( 4.017 0.000 3.666) 5.438 7.779 ( -6.054 0.000 -6.510) 8.889 7.845 ( 5.201 0.000 -8.799) 10.221 7.908 ( 5.285 0.000 2.716) 5.942 8.220 ( -1.748 0.000 4.030) 4.392 8.378 ( -9.583 0.000 5.056) 10.835 8.447 ( 5.117 0.000 0.767) 5.174 8.898 ( -9.132 0.000 4.204) 10.054 9.098 ( -2.983 0.000 3.112) 4.311 9.297 ( -1.467 0.000 0.238) 1.486 9.488 ( 7.408 0.000 2.500) 7.818 10.218 ( 10.326 0.000 0.312) 10.331 10.291 ( -5.795 0.000 -8.544) 10.324 10.345 ( -3.305 0.000 9.531) 10.087 10.901 ( -0.132 0.000 -9.513) 9.514 11.045 ( 7.990 0.000 -4.165) 9.010 11.217 ( 1.121 0.000 4.788) 4.918 11.292 ( -8.953 0.000 -6.024) 10.791 11.354 ( 0.177 0.000 2.027) 2.035 11.494 ( 5.474 0.000 0.676) 5.516 11.510 ( 3.713 0.000 -15.173) 15.620 11.574 ( -8.866 0.000 5.651) 10.514 12.055 ( 2.418 0.000 3.406) 4.176 12.311 ( 8.526 0.000 -7.875) 11.606 12.485 ( -4.167 0.000 -10.860) 11.632 12.886 ( 6.298 0.000 -1.549) 6.486 13.445 ( 6.136 0.000 -2.948) 6.807 13.559 ( -0.300 0.000 4.983) 4.992 13.673 ( -2.523 0.000 5.578) 6.122 14.108 ( 0.565 0.000 0.413) 0.700 14.558 ( 2.417 0.000 4.430) 5.046 14.683 ( -2.088 0.000 1.777) 2.742 15.110 ( 7.338 0.000 -5.724) 9.306 15.387 ( -3.612 0.000 -4.611) 5.857 15.411 ( -18.194 0.000 -0.555) 18.203 16.396 ( 7.529 0.000 4.360) 8.700 17.620 ( -19.284 0.000 3.717) 19.639 17.632 ( -6.411 0.000 12.596) 14.134 17.708 ( 0.711 0.000 0.367) 0.800 17.776 ( -1.400 0.000 1.737) 2.231 18.634 ( 18.843 0.000 -1.477) 18.900 18.766 ( 5.322 0.000 -10.690) 11.942 19.880 ( 7.102 0.000 17.322) 18.721 20.701 ( 0.829 0.000 -0.276) 0.874 21.130 ( -0.110 0.000 -0.735) 0.743 23.182 ( 0.185 0.000 5.384) 5.387 24.596 ( -6.394 0.000 -14.543) 15.887 25.611 ( 1.332 0.000 0.134) 1.338 25.941 ( -4.020 0.000 -1.513) 4.295 27.932 ( 2.169 0.000 3.897) 4.460 28.408 ( 1.605 0.000 0.343) 1.641 ======================= Grid point 154 (72/128) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.045 0.000 -0.289) 0.292 0.968 ( -24.430 0.000 -12.264) 27.335 1.547 ( -14.439 0.000 -0.621) 14.452 1.817 ( 5.319 0.000 -25.895) 26.436 1.838 ( 0.726 0.000 -18.949) 18.963 2.272 ( -1.171 0.000 -1.382) 1.811 2.611 ( -4.298 0.000 16.144) 16.707 2.849 ( 13.051 0.000 -3.013) 13.394 2.990 ( -3.305 0.000 -5.412) 6.341 3.015 ( 14.470 0.000 -5.928) 15.637 3.173 ( 2.539 0.000 5.974) 6.491 3.320 ( -8.515 0.000 9.106) 12.467 3.704 ( -3.751 0.000 4.030) 5.506 3.820 ( -7.842 0.000 -23.173) 24.464 3.906 ( 0.102 0.000 1.679) 1.682 4.060 ( 3.748 0.000 3.615) 5.207 4.330 ( 0.988 0.000 10.378) 10.425 4.891 ( -1.960 0.000 1.560) 2.505 5.197 ( -4.084 0.000 -17.917) 18.376 5.506 ( -8.080 0.000 7.465) 11.001 5.779 ( 2.061 0.000 -1.426) 2.506 5.870 ( -9.511 0.000 0.536) 9.526 6.125 ( 3.745 0.000 -0.892) 3.849 6.358 ( 1.193 0.000 6.158) 6.272 6.361 ( 12.279 0.000 10.926) 16.436 6.399 ( -3.632 0.000 1.336) 3.870 6.792 ( 2.671 0.000 3.760) 4.612 7.357 ( 4.514 0.000 -0.157) 4.517 7.678 ( -3.243 0.000 -7.187) 7.885 7.927 ( 2.421 0.000 -10.097) 10.383 8.015 ( 6.015 0.000 1.665) 6.241 8.108 ( -16.560 0.000 7.479) 18.170 8.209 ( 0.596 0.000 5.375) 5.408 8.558 ( 3.775 0.000 -2.370) 4.457 8.775 ( -1.721 0.000 9.511) 9.665 9.140 ( 6.320 0.000 1.727) 6.551 9.252 ( -3.230 0.000 -0.782) 3.323 9.595 ( 3.600 0.000 2.625) 4.456 10.169 ( -6.222 0.000 -8.345) 10.409 10.314 ( -0.937 0.000 10.359) 10.401 10.370 ( 5.008 0.000 0.935) 5.095 10.875 ( -0.721 0.000 -15.186) 15.203 11.098 ( -5.712 0.000 1.698) 5.959 11.105 ( -8.721 0.000 -3.553) 9.417 11.250 ( 0.929 0.000 5.039) 5.124 11.369 ( 6.537 0.000 -1.774) 6.773 11.526 ( -1.421 0.000 -3.058) 3.372 11.540 ( 3.873 0.000 4.410) 5.869 11.605 ( 4.665 0.000 -9.718) 10.779 12.115 ( 2.773 0.000 1.711) 3.258 12.352 ( -7.381 0.000 -9.220) 11.811 12.489 ( 10.999 0.000 -8.713) 14.032 13.044 ( 9.114 0.000 3.094) 9.625 13.503 ( -2.141 0.000 -1.139) 2.425 13.586 ( -7.065 0.000 6.601) 9.669 13.657 ( 11.416 0.000 0.938) 11.455 14.125 ( 1.193 0.000 1.096) 1.620 14.592 ( 0.651 0.000 3.126) 3.193 14.623 ( -4.528 0.000 3.932) 5.997 15.066 ( -15.769 0.000 -3.905) 16.245 15.209 ( -1.150 0.000 2.209) 2.490 15.350 ( 4.940 0.000 -12.571) 13.507 16.482 ( 0.684 0.000 6.210) 6.248 17.307 ( -11.927 0.000 -2.860) 12.265 17.480 ( -6.639 0.000 8.240) 10.582 17.756 ( -0.886 0.000 0.152) 0.899 17.829 ( 8.345 0.000 0.009) 8.345 18.831 ( 2.310 0.000 -7.034) 7.404 18.962 ( 15.317 0.000 -1.209) 15.364 20.098 ( 13.080 0.000 17.816) 22.102 20.707 ( -0.847 0.000 0.420) 0.945 21.141 ( 1.789 0.000 -0.353) 1.824 23.174 ( -5.109 0.000 0.495) 5.133 24.407 ( -8.203 0.000 -9.686) 12.693 25.608 ( -1.717 0.000 -4.932) 5.222 25.864 ( -3.259 0.000 1.226) 3.482 28.019 ( 5.211 0.000 8.800) 10.227 28.451 ( 2.499 0.000 1.435) 2.881 ======================= Grid point 155 (73/128) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -5.077 0.000 15.147) 15.975 0.873 ( -1.704 0.000 2.043) 2.660 1.275 ( -12.917 0.000 4.319) 13.620 1.862 ( 2.996 0.000 -15.131) 15.425 2.009 ( 13.818 0.000 -23.878) 27.588 2.241 ( -1.590 0.000 -2.499) 2.962 2.430 ( -12.402 0.000 21.480) 24.803 2.735 ( -17.089 0.000 2.512) 17.272 3.008 ( -9.366 0.000 3.536) 10.011 3.110 ( 1.777 0.000 -7.320) 7.533 3.196 ( 7.054 0.000 4.537) 8.387 3.415 ( 8.702 0.000 -1.671) 8.861 3.715 ( 4.901 0.000 1.120) 5.027 3.766 ( 8.382 0.000 -18.750) 20.538 3.935 ( -0.257 0.000 -6.804) 6.809 4.141 ( 4.745 0.000 2.982) 5.605 4.401 ( 5.393 0.000 6.271) 8.271 4.782 ( -7.718 0.000 -9.460) 12.209 5.111 ( -4.210 0.000 -6.136) 7.441 5.366 ( -6.503 0.000 5.415) 8.462 5.611 ( -16.084 0.000 -0.279) 16.086 5.806 ( -0.008 0.000 -3.477) 3.477 6.091 ( -6.941 0.000 0.798) 6.987 6.381 ( 1.938 0.000 1.387) 2.383 6.423 ( 3.452 0.000 7.840) 8.566 6.616 ( 11.239 0.000 9.339) 14.612 6.845 ( 3.468 0.000 7.568) 8.325 7.432 ( 2.318 0.000 -5.828) 6.272 7.664 ( 2.805 0.000 -4.125) 4.988 7.692 ( -17.762 0.000 7.367) 19.229 8.035 ( 2.450 0.000 -7.088) 7.500 8.106 ( 2.102 0.000 -4.787) 5.228 8.304 ( 9.741 0.000 8.722) 13.075 8.547 ( -1.341 0.000 2.626) 2.949 8.855 ( 3.627 0.000 7.471) 8.305 9.205 ( 1.119 0.000 -1.881) 2.188 9.296 ( 8.291 0.000 2.497) 8.658 9.650 ( 2.821 0.000 2.459) 3.743 10.008 ( -10.716 0.000 -4.883) 11.777 10.318 ( 0.061 0.000 10.917) 10.917 10.442 ( 4.073 0.000 -0.037) 4.073 10.844 ( -3.695 0.000 -6.481) 7.460 10.936 ( -5.317 0.000 -5.302) 7.509 10.970 ( -5.094 0.000 1.081) 5.207 11.345 ( 7.326 0.000 5.573) 9.205 11.426 ( -8.383 0.000 -2.902) 8.871 11.495 ( 3.899 0.000 -5.232) 6.525 11.645 ( 5.893 0.000 3.247) 6.728 11.657 ( 1.688 0.000 -11.877) 11.997 12.067 ( -8.505 0.000 -5.499) 10.128 12.294 ( 3.180 0.000 -0.535) 3.224 12.714 ( 12.582 0.000 -6.284) 14.064 13.178 ( 0.213 0.000 6.029) 6.032 13.417 ( -10.872 0.000 8.516) 13.810 13.457 ( 1.469 0.000 -3.599) 3.888 13.900 ( 12.484 0.000 -0.112) 12.485 14.153 ( 1.313 0.000 1.888) 2.299 14.515 ( -6.951 0.000 7.871) 10.501 14.576 ( -3.315 0.000 4.218) 5.364 14.835 ( -7.564 0.000 -7.577) 10.707 15.084 ( -8.394 0.000 1.839) 8.593 15.559 ( 15.081 0.000 -11.836) 19.171 16.459 ( -2.336 0.000 3.582) 4.276 17.229 ( 6.901 0.000 -10.666) 12.704 17.409 ( -1.408 0.000 2.185) 2.599 17.739 ( -0.833 0.000 0.102) 0.839 17.996 ( 8.303 0.000 0.251) 8.307 18.846 ( -0.227 0.000 -3.246) 3.254 19.217 ( 11.369 0.000 -1.876) 11.522 20.356 ( 10.228 0.000 13.675) 17.077 20.657 ( -4.078 0.000 0.322) 4.091 21.203 ( 4.332 0.000 0.710) 4.390 22.681 ( -50.668 0.000 -34.134) 61.093 24.584 ( 32.125 0.000 30.722) 44.450 25.537 ( -4.562 0.000 -9.180) 10.250 25.834 ( -0.157 0.000 3.438) 3.442 28.099 ( 0.962 0.000 10.321) 10.366 28.498 ( 2.086 0.000 2.400) 3.180 ======================= Grid point 156 (74/128) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -2.269 0.000 7.059) 7.414 0.843 ( 18.451 0.000 27.796) 33.362 1.095 ( -5.858 0.000 7.089) 9.197 1.904 ( 2.031 0.000 -15.831) 15.960 2.008 ( -16.355 0.000 26.039) 30.749 2.217 ( -1.583 0.000 -3.732) 4.054 2.266 ( -4.005 0.000 21.447) 21.818 2.591 ( 6.712 0.000 -24.422) 25.327 2.845 ( -5.945 0.000 -0.430) 5.961 3.129 ( 1.597 0.000 -12.603) 12.704 3.353 ( 7.518 0.000 0.068) 7.519 3.455 ( 0.206 0.000 -5.945) 5.949 3.820 ( 4.969 0.000 0.525) 4.996 3.901 ( -1.583 0.000 -15.192) 15.275 3.974 ( 6.973 0.000 -6.156) 9.302 4.308 ( 13.998 0.000 3.021) 14.320 4.464 ( -5.021 0.000 -1.253) 5.175 4.631 ( -1.732 0.000 -5.836) 6.087 5.065 ( 0.288 0.000 0.419) 0.509 5.261 ( -15.063 0.000 5.033) 15.882 5.297 ( -5.515 0.000 -3.879) 6.743 5.730 ( -7.908 0.000 0.604) 7.931 5.944 ( -6.018 0.000 -3.010) 6.729 6.450 ( 4.525 0.000 3.932) 5.994 6.476 ( 1.150 0.000 8.955) 9.029 6.762 ( 4.470 0.000 4.991) 6.700 6.928 ( 1.992 0.000 5.211) 5.579 7.274 ( -13.916 0.000 -0.275) 13.919 7.601 ( 4.671 0.000 0.731) 4.728 7.786 ( 8.888 0.000 -1.258) 8.976 8.056 ( 0.245 0.000 -7.714) 7.718 8.105 ( -1.606 0.000 -5.600) 5.826 8.490 ( 6.068 0.000 3.516) 7.013 8.653 ( 14.177 0.000 6.830) 15.736 8.804 ( -7.032 0.000 1.453) 7.181 9.320 ( 4.953 0.000 -2.754) 5.667 9.403 ( 1.704 0.000 5.207) 5.478 9.752 ( 7.752 0.000 0.353) 7.760 9.808 ( -4.498 0.000 8.117) 9.280 10.326 ( -0.038 0.000 12.450) 12.450 10.542 ( 4.465 0.000 -1.739) 4.791 10.737 ( -3.489 0.000 -4.544) 5.729 10.900 ( -0.936 0.000 -4.928) 5.016 10.911 ( -1.314 0.000 4.421) 4.612 11.240 ( -9.188 0.000 -6.472) 11.239 11.423 ( -11.803 0.000 -4.747) 12.722 11.529 ( 11.019 0.000 4.440) 11.880 11.647 ( -1.941 0.000 -10.283) 10.464 11.746 ( 3.136 0.000 2.447) 3.978 11.928 ( -2.132 0.000 -3.129) 3.786 12.386 ( 5.551 0.000 -0.454) 5.570 12.932 ( 8.775 0.000 -0.930) 8.824 12.993 ( -16.144 0.000 -0.405) 16.149 13.207 ( -10.073 0.000 6.938) 12.231 13.615 ( 11.837 0.000 -0.249) 11.840 14.092 ( 6.141 0.000 1.375) 6.293 14.175 ( 1.545 0.000 0.399) 1.596 14.392 ( -6.212 0.000 10.819) 12.475 14.446 ( -9.839 0.000 4.707) 10.907 14.745 ( -1.689 0.000 -8.153) 8.326 14.973 ( -2.582 0.000 -0.782) 2.698 15.817 ( 9.397 0.000 -5.825) 11.056 16.437 ( 0.651 0.000 -2.611) 2.691 17.418 ( 2.055 0.000 -2.185) 2.999 17.643 ( 37.108 0.000 -17.382) 40.977 17.726 ( -0.452 0.000 0.036) 0.454 18.130 ( 5.255 0.000 0.347) 5.266 18.819 ( -2.532 0.000 0.817) 2.660 19.396 ( 7.414 0.000 -2.282) 7.757 20.351 ( -25.363 0.000 1.188) 25.391 20.575 ( -3.802 0.000 0.004) 3.802 21.287 ( 3.736 0.000 1.455) 4.010 21.289 ( -72.935 0.000 -25.920) 77.404 25.436 ( -4.749 0.000 -9.260) 10.407 25.666 ( 72.252 0.000 37.718) 81.505 25.851 ( 1.354 0.000 2.581) 2.915 28.032 ( -9.381 0.000 6.060) 11.168 28.533 ( 1.372 0.000 2.857) 3.169 ======================= Grid point 157 (75/128) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -5.717 8.665 18.584) 21.286 1.381 ( 0.786 29.592 15.469) 33.401 1.702 ( -2.281 33.596 -5.274) 34.084 1.955 ( 7.510 6.944 0.242) 10.232 2.063 ( 7.797 30.233 15.483) 34.851 2.221 ( 1.509 -0.730 15.153) 15.246 2.566 ( -1.734 20.654 1.782) 20.803 2.678 ( -0.463 11.202 -18.806) 21.895 2.792 ( -0.778 1.846 -1.762) 2.668 3.160 ( 2.286 -1.980 -10.513) 10.940 3.392 ( 1.150 -3.716 -10.609) 11.300 3.632 ( 9.660 10.764 -5.502) 15.474 3.835 ( -3.646 2.319 -15.401) 15.995 3.910 ( 0.044 2.521 -0.774) 2.638 4.155 ( 3.799 8.825 -6.786) 11.763 4.318 ( -2.518 2.175 0.118) 3.329 4.695 ( -0.152 2.447 2.516) 3.513 4.771 ( 10.759 11.841 0.606) 16.011 4.896 ( -18.966 1.720 3.562) 19.374 5.035 ( -2.285 -2.148 -3.239) 4.508 5.433 ( 1.293 11.196 -4.403) 12.100 5.629 ( 1.301 -0.726 4.168) 4.427 5.823 ( -1.804 -4.940 -5.806) 7.834 6.354 ( -0.447 -12.246 7.922) 14.592 6.485 ( 0.660 -2.665 7.747) 8.219 6.665 ( -2.268 -8.871 4.525) 10.214 6.884 ( 1.179 3.543 5.056) 6.285 7.096 ( -3.609 -5.488 0.582) 6.594 7.574 ( 4.358 -11.029 -6.880) 13.710 7.791 ( -2.491 -0.282 -0.124) 2.510 8.139 ( 0.623 8.345 2.464) 8.724 8.382 ( -0.272 5.970 -7.748) 9.785 8.560 ( 0.149 -1.199 1.469) 1.902 8.733 ( 0.520 7.915 -0.415) 7.943 8.843 ( -0.807 -0.984 3.249) 3.489 9.334 ( 0.165 8.173 -7.065) 10.804 9.458 ( -0.977 2.230 4.264) 4.910 9.749 ( -2.917 -9.257 0.640) 9.727 9.935 ( 17.328 -7.495 13.495) 23.207 10.455 ( -5.914 -6.299 -8.719) 12.275 10.483 ( 4.490 4.136 8.271) 10.280 10.775 ( -1.311 0.942 0.595) 1.720 10.822 ( 3.191 4.812 2.230) 6.189 10.949 ( -0.146 2.708 -0.702) 2.801 11.168 ( -2.903 6.129 -9.230) 11.453 11.306 ( -5.551 8.883 -0.560) 10.489 11.497 ( -2.534 -2.852 -3.876) 5.438 11.696 ( 1.259 -0.427 -2.544) 2.870 11.880 ( -0.120 8.161 2.750) 8.613 12.018 ( 3.291 5.881 0.494) 6.757 12.470 ( 10.446 -5.785 -0.718) 11.962 12.582 ( -12.635 -6.695 -3.578) 14.740 13.017 ( -10.513 9.335 9.631) 17.042 13.225 ( 5.869 2.098 -0.870) 6.293 13.610 ( 1.518 -15.047 0.949) 15.153 14.019 ( -1.509 -10.444 5.738) 12.012 14.160 ( -1.224 -7.160 -0.648) 7.293 14.233 ( -1.394 -6.109 8.886) 10.873 14.401 ( 5.111 2.235 4.304) 7.046 14.782 ( -4.916 -3.482 -5.171) 7.939 15.068 ( -0.252 14.135 -0.014) 14.138 15.899 ( -3.424 23.537 -4.947) 24.294 16.729 ( 3.575 15.334 -5.297) 16.612 17.392 ( -7.291 -11.091 0.523) 13.283 17.552 ( -5.929 -1.101 4.059) 7.269 18.126 ( 9.486 -0.642 -3.205) 10.033 18.291 ( -7.392 18.971 -9.978) 22.674 18.737 ( -4.442 -1.601 4.521) 6.537 19.470 ( -6.055 0.517 0.966) 6.153 19.764 ( -3.537 17.447 -4.778) 18.432 20.499 ( -0.547 -3.220 -0.115) 3.268 21.204 ( -5.716 18.869 -1.012) 19.742 21.348 ( -1.794 28.516 -8.550) 29.825 25.249 ( -3.606 -10.419 -7.823) 13.519 25.876 ( 2.124 -0.585 1.357) 2.588 26.713 ( 32.966 -22.555 6.183) 40.419 27.838 ( -0.404 0.911 0.865) 1.320 28.535 ( 0.675 -2.467 2.602) 3.648 ======================= Grid point 158 (76/128) ======================= q-point: ( 0.10 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -10.322 12.595 17.140) 23.642 1.490 ( 7.320 31.679 9.465) 33.863 1.670 ( -0.830 33.292 -6.563) 33.943 2.037 ( 2.360 16.430 -12.092) 20.536 2.275 ( 1.656 9.158 2.373) 9.604 2.403 ( 15.634 8.427 18.334) 25.526 2.461 ( -3.900 5.261 -12.359) 13.987 2.689 ( 4.585 24.143 11.544) 27.151 2.800 ( 1.574 4.441 -2.098) 5.158 3.170 ( -0.989 -4.591 -4.294) 6.363 3.437 ( 4.002 -4.548 -16.285) 17.375 3.627 ( -9.872 5.684 -4.118) 12.113 3.783 ( -7.587 6.402 -0.939) 9.972 3.934 ( 8.025 3.931 -21.425) 23.214 4.173 ( -1.063 10.665 -13.387) 17.149 4.293 ( 2.645 4.915 4.112) 6.932 4.527 ( -13.235 4.563 2.624) 14.243 4.695 ( -2.236 2.970 0.658) 3.776 4.956 ( -4.353 -0.375 1.830) 4.736 5.055 ( 16.544 8.099 6.727) 19.610 5.509 ( 6.187 4.534 -2.838) 8.179 5.756 ( 7.505 -3.032 3.085) 8.662 5.836 ( 3.913 -2.859 -3.921) 6.234 6.334 ( -2.620 -10.478 9.705) 14.521 6.468 ( -3.429 -2.729 5.005) 6.652 6.607 ( -3.894 -10.390 4.775) 12.080 6.821 ( -5.251 1.839 4.283) 7.022 7.168 ( 8.372 -2.486 1.050) 8.796 7.626 ( -0.575 -8.902 -5.902) 10.696 7.751 ( 0.961 1.161 1.543) 2.157 8.127 ( -1.832 9.754 4.032) 10.712 8.330 ( -3.677 16.497 -4.854) 17.585 8.616 ( 5.473 -3.720 1.908) 6.887 8.677 ( -5.528 9.287 0.935) 10.848 8.781 ( -4.793 -4.398 0.462) 6.521 9.311 ( -2.160 3.841 -1.585) 4.683 9.434 ( -3.014 2.151 1.169) 3.884 9.655 ( -5.273 -8.593 2.552) 10.400 10.221 ( 0.212 -6.192 -3.915) 7.329 10.354 ( 3.042 -1.795 4.736) 5.908 10.561 ( 2.517 -4.851 -1.353) 5.630 10.726 ( -1.775 1.019 5.066) 5.464 10.869 ( 2.588 9.040 -1.536) 9.528 10.993 ( 5.420 6.066 1.045) 8.202 11.126 ( 3.605 2.708 -12.053) 12.869 11.361 ( 4.513 4.351 -0.909) 6.335 11.413 ( -4.682 1.170 0.317) 4.837 11.610 ( -7.200 2.518 -3.355) 8.333 11.918 ( 1.909 7.231 2.891) 8.018 11.994 ( -4.893 3.349 -1.811) 6.199 12.391 ( -6.290 -5.120 -4.115) 9.094 12.682 ( 1.349 -3.991 3.104) 5.233 12.928 ( 7.985 4.841 4.407) 10.325 13.330 ( 4.465 0.092 4.038) 6.021 13.537 ( -8.325 -13.771 -0.081) 16.091 13.963 ( -5.308 -6.776 2.385) 8.932 14.082 ( -4.217 -13.685 7.356) 16.099 14.282 ( 3.100 -4.554 7.774) 9.528 14.574 ( 7.567 -5.903 1.014) 9.651 14.682 ( -1.717 -3.735 -2.362) 4.741 15.116 ( 5.762 14.915 0.150) 15.990 15.680 ( -17.017 45.673 -0.763) 48.746 16.834 ( 7.314 15.349 -4.147) 17.501 16.981 ( -21.015 -3.404 10.583) 23.775 17.617 ( 8.033 1.039 -9.447) 12.444 18.024 ( -8.411 25.518 -5.272) 27.380 18.175 ( -2.249 2.217 -1.551) 3.519 18.640 ( -5.897 -1.232 7.600) 9.699 19.277 ( -9.429 -3.128 2.157) 10.166 20.157 ( 17.154 0.191 8.259) 19.040 20.522 ( 2.968 -3.819 0.201) 4.841 21.221 ( 1.671 -2.313 2.185) 3.594 21.491 ( 23.518 38.898 -7.187) 46.019 25.203 ( -0.476 -10.527 -4.308) 11.384 25.904 ( 0.582 -0.674 -0.749) 1.164 26.561 ( -33.346 -11.887 -15.774) 38.757 28.150 ( 19.055 -9.433 -0.789) 21.276 28.544 ( -0.036 -2.270 1.921) 2.974 ======================= Grid point 159 (77/128) ======================= q-point: ( 0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 13.312 12.699 -5.580) 19.225 1.631 ( 5.656 32.043 2.185) 32.612 1.652 ( -0.546 29.358 -7.191) 30.230 2.055 ( -0.009 19.487 -11.666) 22.713 2.147 ( -8.391 5.009 -16.551) 19.221 2.442 ( 3.962 12.481 1.044) 13.137 2.604 ( 2.097 16.238 5.366) 17.230 2.843 ( 2.821 6.271 -0.472) 6.892 2.957 ( 13.221 1.066 14.965) 19.997 3.131 ( 0.992 -0.482 6.063) 6.163 3.343 ( -9.771 7.307 -5.059) 13.208 3.449 ( -17.976 -2.737 -7.505) 19.671 3.612 ( -0.691 3.343 -5.819) 6.746 3.960 ( -0.844 11.454 -16.149) 19.817 4.161 ( -1.044 5.974 -6.491) 8.883 4.362 ( 1.691 5.435 -7.414) 9.348 4.490 ( 7.301 2.214 2.417) 8.003 4.696 ( 2.897 2.608 -0.846) 3.989 4.902 ( 0.696 0.450 1.040) 1.330 5.390 ( 16.398 5.459 7.802) 18.962 5.629 ( 5.613 -0.407 -0.837) 5.690 5.836 ( 2.276 -0.077 -1.627) 2.799 5.937 ( 3.026 -0.478 3.984) 5.025 6.269 ( -4.755 -6.783 12.347) 14.869 6.365 ( -5.985 -6.153 2.885) 9.055 6.553 ( -1.942 -6.595 3.594) 7.757 6.745 ( -3.012 2.069 3.048) 4.759 7.336 ( 7.666 -1.758 0.233) 7.868 7.587 ( -0.197 6.605 -2.397) 7.030 7.804 ( 1.822 -3.187 2.386) 4.378 8.105 ( -0.050 20.949 5.415) 21.637 8.280 ( -1.201 8.686 -0.108) 8.769 8.499 ( -10.503 0.763 -4.941) 11.632 8.729 ( -0.541 2.498 -0.378) 2.584 8.762 ( 7.945 -4.958 3.832) 10.119 9.246 ( -4.724 4.108 3.165) 7.015 9.335 ( -5.581 -2.165 -3.597) 6.983 9.573 ( -3.526 -4.749 2.974) 6.620 10.125 ( -6.098 -3.281 -9.748) 11.957 10.357 ( -0.452 3.471 4.504) 5.704 10.588 ( -2.953 -4.570 1.360) 5.609 10.763 ( 2.635 -3.917 6.867) 8.333 10.966 ( 7.657 2.716 -3.586) 8.881 11.120 ( 6.272 1.038 -9.055) 11.064 11.205 ( 1.516 4.836 -5.292) 7.327 11.332 ( -0.716 2.559 1.952) 3.297 11.412 ( -0.681 -1.114 1.224) 1.790 11.523 ( 1.102 10.830 -5.087) 12.016 11.862 ( -5.007 0.454 -4.611) 6.822 11.980 ( 2.445 8.752 4.663) 10.213 12.304 ( -2.824 -5.016 -3.444) 6.708 12.551 ( -10.006 3.652 2.156) 10.868 13.202 ( 13.555 -3.517 2.705) 14.263 13.326 ( -12.550 -9.956 -0.113) 16.020 13.408 ( 3.216 -2.026 6.537) 7.562 13.828 ( -7.954 -4.175 -0.432) 8.993 14.015 ( -3.138 -13.688 6.521) 15.484 14.335 ( 0.308 -7.256 10.813) 13.025 14.603 ( 4.921 -3.956 2.711) 6.871 14.787 ( 5.024 -4.759 -3.374) 7.699 15.269 ( 5.679 19.463 -2.311) 20.406 15.455 ( -0.524 47.866 -0.301) 47.869 16.754 ( -5.684 4.204 2.553) 7.516 17.020 ( 12.053 6.678 -1.133) 13.826 17.775 ( 7.353 2.204 -7.452) 10.699 17.940 ( -1.464 17.870 -1.651) 18.006 18.115 ( -1.801 3.108 -6.309) 7.260 18.528 ( -6.402 -0.485 8.891) 10.967 19.053 ( -14.287 -3.620 4.892) 15.529 20.247 ( -4.691 3.140 13.477) 14.612 20.607 ( 4.950 -4.845 0.519) 6.946 21.178 ( -4.569 -6.558 -0.306) 7.998 22.172 ( 39.393 24.475 1.994) 46.420 25.227 ( 3.172 -9.467 -0.706) 10.009 25.752 ( -32.512 -4.483 -18.393) 37.622 25.963 ( -6.003 0.904 -5.455) 8.161 28.335 ( 1.062 -8.669 -0.852) 8.775 28.534 ( -1.261 -1.582 0.902) 2.215 ======================= Grid point 160 (78/128) ======================= q-point: ( 0.30 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 25.261 7.866 -19.378) 32.795 1.629 ( -0.777 28.207 -8.604) 29.500 1.682 ( 0.696 19.526 -7.859) 21.060 1.984 ( -1.353 19.992 -14.247) 24.586 2.138 ( 4.559 20.582 -7.934) 22.525 2.510 ( 2.083 9.901 1.740) 10.266 2.606 ( -1.982 16.321 4.139) 16.954 2.792 ( -11.504 -0.355 -2.411) 11.759 2.962 ( -1.474 5.876 2.476) 6.544 3.046 ( -17.816 2.087 -7.185) 19.324 3.204 ( -2.344 2.496 1.170) 3.619 3.435 ( 14.559 2.234 16.057) 21.790 3.553 ( -2.648 7.618 -2.922) 8.578 4.013 ( 5.622 4.956 -13.194) 15.174 4.114 ( -3.473 4.014 -3.010) 6.102 4.360 ( -0.253 6.192 -11.316) 12.902 4.564 ( 0.494 0.846 3.538) 3.671 4.720 ( -1.255 1.217 6.539) 6.768 5.085 ( 15.010 -0.351 -10.947) 18.581 5.639 ( 7.318 2.750 7.481) 10.821 5.717 ( 4.174 -5.634 1.353) 7.141 5.846 ( -2.046 2.554 0.383) 3.295 5.921 ( -3.645 3.372 6.248) 7.981 6.188 ( -2.806 -6.376 12.473) 14.287 6.333 ( 2.016 -7.462 0.459) 7.744 6.529 ( -0.852 2.657 2.433) 3.702 6.714 ( 0.077 7.076 1.603) 7.256 7.410 ( -0.601 -0.756 -0.274) 1.005 7.658 ( 6.623 9.786 -1.220) 11.879 7.814 ( 0.445 7.317 3.019) 7.928 8.107 ( -2.047 18.121 -1.637) 18.310 8.247 ( -2.378 -6.145 2.573) 7.074 8.348 ( -4.304 3.511 2.289) 6.008 8.767 ( 5.307 8.156 -4.770) 10.837 8.886 ( 3.363 -7.578 4.198) 9.293 9.165 ( -2.576 2.309 3.661) 5.037 9.261 ( -1.752 -3.621 -5.032) 6.442 9.518 ( -2.787 -1.344 3.220) 4.466 9.966 ( -8.068 -3.844 -6.161) 10.855 10.426 ( 4.863 -0.748 3.880) 6.266 10.526 ( -1.577 -1.097 -3.531) 4.020 10.741 ( -4.926 0.061 10.186) 11.315 11.049 ( -0.574 3.128 1.646) 3.581 11.166 ( 2.394 6.906 -16.349) 17.908 11.222 ( -0.760 -7.171 -1.320) 7.331 11.328 ( 1.958 0.460 0.286) 2.032 11.430 ( 1.132 2.143 -0.402) 2.457 11.619 ( 6.623 10.808 -4.077) 13.315 11.811 ( 1.066 2.661 -7.793) 8.304 12.032 ( 1.797 6.769 6.851) 9.797 12.275 ( 0.098 -6.020 -4.859) 7.737 12.354 ( -9.629 5.179 0.173) 10.935 13.093 ( -10.899 -6.259 -1.186) 12.624 13.398 ( 6.107 -3.334 3.615) 7.841 13.443 ( -0.697 -8.410 4.005) 9.341 13.701 ( -3.805 1.088 0.619) 4.006 13.986 ( -0.355 -11.049 3.404) 11.566 14.332 ( -0.227 -6.894 10.100) 12.230 14.744 ( 4.634 -7.260 -0.928) 8.663 14.902 ( 10.772 0.625 1.165) 10.853 15.282 ( 0.066 37.158 -3.873) 37.360 15.613 ( 10.480 22.367 -2.325) 24.809 16.656 ( -6.143 5.934 1.592) 8.688 17.313 ( 18.046 1.442 -0.822) 18.122 17.795 ( -4.084 4.949 2.921) 7.050 17.951 ( 1.972 16.008 -2.692) 16.352 18.163 ( 5.954 1.681 -8.326) 10.373 18.417 ( -4.670 -0.477 3.914) 6.112 18.748 ( -17.548 -1.471 8.090) 19.379 20.107 ( -9.656 4.003 12.964) 16.653 20.684 ( 2.461 -4.151 0.234) 4.831 21.084 ( -4.284 -7.912 -1.287) 9.089 22.839 ( 27.527 14.221 7.842) 31.961 25.108 ( -25.766 2.856 -21.249) 33.520 25.319 ( 5.045 -7.577 2.281) 9.385 25.950 ( 0.836 -2.025 -2.904) 3.638 28.254 ( -7.901 -5.319 -0.988) 9.576 28.495 ( -2.771 -0.801 -0.006) 2.885 ======================= Grid point 161 (79/128) ======================= q-point: ( 0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 7.274 3.466 -18.713) 20.374 1.635 ( 2.913 31.666 -12.821) 34.288 1.828 ( 16.898 17.348 -10.834) 26.531 1.996 ( 4.433 20.789 -14.926) 25.974 2.213 ( 1.641 19.430 -4.576) 20.029 2.468 ( -10.903 -0.791 -2.407) 11.193 2.494 ( -10.414 6.125 -1.285) 12.149 2.572 ( -2.847 23.274 -1.488) 23.495 2.803 ( -4.175 7.083 -0.737) 8.255 2.940 ( -3.396 5.104 -1.363) 6.280 3.219 ( 2.676 -2.406 9.910) 10.543 3.462 ( -1.315 6.631 0.573) 6.784 3.721 ( 6.650 1.818 6.218) 9.284 3.980 ( -4.496 0.562 -3.084) 5.480 4.150 ( 5.350 7.044 1.228) 8.930 4.333 ( -2.229 4.179 -14.127) 14.900 4.574 ( 1.432 1.563 2.984) 3.660 4.675 ( -4.437 2.018 1.552) 5.115 5.295 ( 6.380 -2.866 -6.855) 9.794 5.722 ( -2.209 1.222 11.945) 12.209 5.736 ( 0.307 -2.580 -0.785) 2.715 5.804 ( 0.872 -0.603 -1.369) 1.731 5.907 ( 3.171 2.299 6.235) 7.363 6.172 ( -1.785 -2.995 7.400) 8.181 6.387 ( 2.660 -6.480 1.075) 7.087 6.528 ( 0.582 -0.539 2.677) 2.792 6.773 ( 5.695 20.717 -0.185) 21.486 7.331 ( -6.367 0.925 0.367) 6.444 7.753 ( 2.442 9.883 2.636) 10.516 7.879 ( 5.237 10.875 -0.912) 12.105 8.025 ( -4.384 1.315 -5.274) 6.983 8.198 ( -3.322 -5.476 2.982) 7.065 8.320 ( 1.173 11.194 4.068) 11.968 8.837 ( -0.907 16.417 -1.637) 16.523 8.968 ( 7.459 -10.370 2.023) 12.933 9.145 ( -0.943 -4.381 3.181) 5.496 9.240 ( -0.755 -4.237 -5.085) 6.662 9.445 ( -5.843 1.580 3.622) 7.054 9.884 ( 1.587 -2.514 -1.362) 3.270 10.409 ( -4.088 -6.501 -2.903) 8.210 10.616 ( 2.519 2.432 2.861) 4.522 10.642 ( 0.186 3.618 6.263) 7.235 11.000 ( -3.114 2.900 1.208) 4.423 11.171 ( -2.147 -4.405 -0.755) 4.958 11.245 ( 5.442 4.317 -8.238) 10.776 11.374 ( -0.261 -1.613 -1.062) 1.948 11.425 ( 1.023 3.867 -5.608) 6.888 11.701 ( 1.635 5.605 -6.528) 8.758 11.862 ( 2.178 7.896 -8.914) 12.106 12.041 ( -1.528 3.344 7.857) 8.674 12.197 ( -3.751 3.959 1.352) 5.619 12.335 ( 5.123 -3.818 -7.272) 9.680 12.915 ( -7.325 -5.096 -3.959) 9.762 13.351 ( -5.161 -9.648 -2.652) 11.258 13.499 ( 2.370 -4.996 6.180) 8.293 13.690 ( 1.183 3.666 4.381) 5.833 13.998 ( 1.155 -8.673 1.390) 8.859 14.359 ( 2.039 -6.214 7.989) 10.324 14.792 ( 2.314 -7.597 -2.285) 8.264 15.135 ( 9.977 -2.411 -0.286) 10.268 15.283 ( 0.012 37.752 -2.568) 37.839 15.804 ( 9.791 20.297 -2.298) 22.652 16.501 ( -9.507 8.731 2.063) 13.072 17.648 ( 11.080 -0.159 1.340) 11.161 17.731 ( 1.797 2.788 1.957) 3.852 18.002 ( 3.707 13.177 -0.322) 13.692 18.153 ( -6.390 4.783 10.384) 13.097 18.391 ( -16.390 0.109 7.649) 18.087 18.473 ( 6.344 -0.682 -12.950) 14.436 19.938 ( -8.015 3.974 12.549) 15.412 20.694 ( -1.007 -2.860 -0.842) 3.146 21.033 ( -0.878 -10.134 -0.866) 10.209 23.202 ( 9.658 10.416 5.842) 15.359 24.772 ( -7.485 6.327 -14.662) 17.636 25.424 ( 5.006 -6.674 3.573) 9.076 25.967 ( 0.885 -3.347 -2.955) 4.552 28.078 ( -9.117 -2.803 -1.685) 9.686 28.438 ( -2.757 -0.371 -0.496) 2.825 ======================= Grid point 162 (80/128) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.812 7.788 -15.335) 17.219 1.710 ( 4.821 34.990 -17.890) 39.593 1.935 ( -0.483 25.653 -18.141) 31.423 2.106 ( -11.695 6.483 -4.350) 14.061 2.183 ( -0.850 3.062 -4.194) 5.263 2.274 ( 5.263 13.618 -8.703) 16.997 2.422 ( 3.470 11.364 -2.765) 12.200 2.556 ( 0.869 16.582 -1.495) 16.672 2.786 ( 0.517 12.041 1.325) 12.125 2.908 ( 1.233 -0.501 -1.868) 2.294 3.271 ( 0.528 -2.409 13.418) 13.642 3.481 ( 3.713 4.969 2.663) 6.750 3.689 ( -6.566 5.646 0.986) 8.716 3.978 ( 2.008 -0.085 4.073) 4.542 4.179 ( -5.052 -2.859 -15.665) 16.706 4.281 ( -0.604 13.067 6.074) 14.422 4.528 ( -9.674 1.984 1.040) 9.930 4.661 ( 6.927 0.588 1.146) 7.046 5.341 ( -0.428 -2.067 -6.378) 6.718 5.659 ( -2.271 -3.945 7.874) 9.095 5.742 ( 0.401 -0.486 -0.776) 1.000 5.879 ( 3.155 -0.904 1.321) 3.537 5.988 ( 3.583 1.852 7.022) 8.098 6.144 ( 0.833 5.082 2.965) 5.942 6.418 ( 0.218 -5.253 1.583) 5.490 6.558 ( 2.270 -8.017 1.976) 8.563 6.840 ( -2.063 28.852 -0.571) 28.932 7.248 ( 0.178 -0.533 1.059) 1.199 7.787 ( 1.556 9.450 0.565) 9.594 7.906 ( -3.111 1.432 3.731) 5.064 7.949 ( -3.541 -0.807 -3.102) 4.777 8.196 ( 3.486 -3.609 0.340) 5.029 8.379 ( 4.665 19.024 -0.596) 19.596 8.806 ( -1.193 17.675 0.654) 17.728 8.989 ( -6.312 -6.837 2.731) 9.698 9.174 ( -3.787 -4.613 3.227) 6.785 9.214 ( 3.146 -6.797 -5.082) 9.051 9.338 ( -2.199 -0.486 5.250) 5.712 10.016 ( 10.630 -0.108 -0.677) 10.652 10.316 ( -5.019 -6.862 -5.159) 9.945 10.531 ( -4.553 8.526 9.118) 13.288 10.804 ( 8.771 -3.492 -0.995) 9.493 10.960 ( -0.974 2.519 -2.136) 3.443 11.139 ( -0.992 -5.001 1.163) 5.230 11.277 ( -4.775 -1.850 -0.559) 5.152 11.392 ( 7.939 4.401 -4.637) 10.193 11.496 ( 4.359 4.593 -6.133) 8.815 11.639 ( -6.314 7.037 -11.358) 14.778 11.832 ( -4.791 8.738 -0.474) 9.976 12.004 ( -1.902 -1.270 5.166) 5.650 12.220 ( 4.778 4.382 -2.733) 7.036 12.442 ( 5.211 -3.739 -7.848) 10.135 12.813 ( -2.217 -4.112 -5.214) 7.000 13.287 ( -0.424 -9.754 -3.202) 10.275 13.523 ( 0.036 -4.008 6.411) 7.560 13.717 ( 0.691 2.037 4.949) 5.396 14.023 ( 1.221 -6.373 0.162) 6.491 14.412 ( 2.558 -5.774 5.410) 8.316 14.847 ( 3.547 -8.490 -2.819) 9.623 15.198 ( -3.263 -14.129 -4.100) 15.070 15.310 ( 3.215 49.547 -0.162) 49.652 15.905 ( -3.225 17.310 -0.175) 17.608 16.389 ( 1.430 10.293 1.431) 10.490 17.676 ( 0.796 4.739 2.063) 5.230 17.858 ( 2.439 7.423 0.746) 7.849 17.912 ( -11.918 1.162 15.333) 19.454 18.026 ( -18.450 2.891 7.692) 20.197 18.277 ( 15.726 4.344 -1.520) 16.386 18.633 ( 8.532 -1.110 -13.609) 16.100 19.854 ( -1.138 4.360 13.408) 14.145 20.671 ( -0.730 -2.742 -1.079) 3.036 21.032 ( 0.328 -10.489 -0.630) 10.513 23.277 ( 0.131 10.061 2.856) 10.460 24.721 ( 0.152 6.973 -10.139) 12.306 25.508 ( 3.350 -6.322 2.993) 7.756 25.963 ( -1.391 -3.748 -2.752) 4.853 27.938 ( -4.563 -1.408 -0.440) 4.795 28.401 ( -0.792 -0.290 -0.388) 0.928 ======================= Grid point 163 (81/128) ======================= q-point: (-0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -17.922 6.383 -19.335) 27.126 1.745 ( -0.646 34.260 -14.934) 37.379 1.874 ( -5.999 25.588 -10.378) 28.257 1.907 ( -2.895 9.690 -18.702) 21.262 2.094 ( -5.987 17.084 0.675) 18.115 2.461 ( 12.944 2.988 -0.279) 13.287 2.535 ( 3.600 16.808 -1.644) 17.268 2.649 ( 10.042 7.498 -6.346) 14.047 2.798 ( 0.285 5.304 1.562) 5.537 2.984 ( 6.318 -0.092 -2.787) 6.906 3.234 ( -5.279 0.014 13.788) 14.764 3.539 ( -4.040 9.650 0.817) 10.493 3.636 ( 6.374 2.502 4.407) 8.143 3.996 ( -3.674 -1.807 -6.176) 7.410 4.028 ( -5.363 1.670 -9.209) 10.787 4.194 ( -8.845 9.214 5.905) 14.071 4.384 ( -3.690 4.623 8.310) 10.200 4.822 ( 8.149 -0.143 1.039) 8.216 5.263 ( -6.825 -2.688 -9.504) 12.006 5.635 ( -1.712 -3.259 5.147) 6.328 5.766 ( 1.554 0.463 -0.076) 1.623 5.869 ( -1.629 -4.262 4.303) 6.272 6.104 ( 7.455 6.388 1.416) 9.920 6.228 ( 6.252 4.360 4.405) 8.804 6.398 ( -2.340 -4.419 2.341) 5.521 6.600 ( 0.500 -6.909 -1.199) 7.030 6.700 ( -8.823 20.704 2.834) 22.683 7.321 ( 4.816 1.571 0.335) 5.077 7.763 ( -6.101 3.130 1.064) 6.939 7.873 ( 0.910 1.760 -1.442) 2.451 7.902 ( 1.080 -0.965 2.626) 2.999 8.268 ( 2.781 -4.626 0.737) 5.448 8.494 ( 6.904 27.156 -4.246) 28.340 8.755 ( -7.386 19.468 2.150) 20.932 8.847 ( -6.644 -2.162 4.838) 8.498 9.050 ( -3.335 -5.110 1.074) 6.196 9.229 ( -1.161 -6.412 -0.522) 6.537 9.413 ( 5.906 -6.850 3.504) 9.699 10.195 ( -1.808 -6.329 -8.855) 11.033 10.251 ( 7.331 0.787 2.461) 7.773 10.473 ( -2.254 10.862 8.382) 13.904 10.915 ( -0.410 -5.488 -10.011) 11.424 10.968 ( 3.968 -0.924 -0.631) 4.123 11.135 ( 0.480 -3.477 3.785) 5.162 11.209 ( -1.102 -4.778 -1.751) 5.207 11.463 ( -6.682 6.160 -6.654) 11.264 11.528 ( 0.309 3.751 -5.534) 6.693 11.582 ( 3.833 8.354 1.594) 9.329 11.725 ( -1.978 10.505 -2.053) 10.885 12.007 ( 1.681 -4.269 2.782) 5.366 12.316 ( 4.356 -0.165 -7.099) 8.331 12.475 ( -0.142 0.111 -9.264) 9.266 12.848 ( 5.732 -3.853 -1.283) 7.025 13.343 ( 6.327 -9.294 -2.249) 11.466 13.518 ( -1.164 -3.795 4.752) 6.192 13.715 ( -1.275 1.669 5.302) 5.703 14.039 ( 0.423 -5.534 -0.353) 5.561 14.454 ( 1.202 -5.624 3.706) 6.842 14.913 ( 3.111 -9.543 -3.380) 10.591 15.066 ( -9.722 -7.900 -1.078) 12.574 15.366 ( 3.025 42.819 -3.870) 43.099 15.715 ( -12.515 17.132 -0.028) 21.216 16.518 ( 8.144 9.525 2.243) 12.731 17.611 ( -18.141 0.994 7.883) 19.804 17.702 ( -7.248 4.747 8.043) 11.822 17.754 ( -0.645 4.027 1.840) 4.474 17.892 ( 0.273 13.338 1.707) 13.449 18.602 ( 16.609 -3.258 -0.412) 16.931 18.759 ( 5.611 -0.824 -9.954) 11.457 19.929 ( 7.571 4.933 14.623) 17.190 20.673 ( 0.795 -2.906 -0.201) 3.019 21.036 ( 0.256 -9.853 -0.909) 9.898 23.283 ( 1.038 11.120 4.863) 12.181 24.667 ( -5.972 7.376 -13.630) 16.609 25.557 ( 1.520 -6.055 0.600) 6.271 25.905 ( -4.240 -3.993 -2.078) 6.184 27.917 ( 2.098 -1.099 3.650) 4.351 28.409 ( 1.450 -0.472 0.370) 1.570 ======================= Grid point 164 (82/128) ======================= q-point: (-0.30 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -22.377 9.237 -11.787) 26.925 1.684 ( -3.695 26.191 -9.732) 28.184 1.807 ( -0.210 32.839 -14.977) 36.094 1.856 ( -1.699 8.971 -13.067) 15.941 1.988 ( -2.257 23.225 -6.394) 24.195 2.547 ( -0.907 23.442 0.531) 23.466 2.602 ( -5.136 -1.235 14.627) 15.551 2.862 ( 8.959 -8.303 -6.939) 14.048 2.874 ( 8.424 2.922 -4.067) 9.800 3.088 ( 5.083 4.653 -2.748) 7.418 3.174 ( 1.992 1.502 5.849) 6.358 3.436 ( -9.953 12.182 10.052) 18.669 3.709 ( 1.578 1.888 -3.292) 4.110 3.841 ( -9.228 1.484 -17.796) 20.101 3.955 ( 2.364 3.710 2.898) 5.268 4.168 ( 2.997 9.479 5.172) 11.206 4.355 ( -0.146 2.667 7.818) 8.261 4.905 ( -1.687 1.445 1.332) 2.590 5.124 ( -3.933 -4.759 -11.240) 12.824 5.580 ( -4.791 -0.032 4.476) 6.557 5.759 ( -1.734 -1.821 -1.006) 2.708 5.887 ( 0.994 1.846 0.024) 2.097 6.190 ( -0.615 6.395 -1.599) 6.621 6.317 ( -1.819 -7.289 0.584) 7.535 6.405 ( 6.180 3.044 9.537) 11.765 6.494 ( -3.474 14.207 2.195) 14.789 6.667 ( 0.803 -9.371 3.342) 9.981 7.385 ( 1.590 -2.538 0.906) 3.129 7.627 ( -6.942 1.586 -2.848) 7.669 7.865 ( -0.673 -3.223 1.246) 3.521 8.022 ( 8.642 4.590 3.267) 10.316 8.272 ( -3.213 2.588 1.355) 4.343 8.540 ( -7.462 19.202 -3.355) 20.873 8.621 ( 1.095 15.252 0.469) 15.299 8.770 ( 0.168 3.045 8.277) 8.821 9.099 ( 5.555 -3.518 -2.625) 7.080 9.203 ( -0.422 -3.171 0.775) 3.291 9.516 ( 4.579 -7.230 2.939) 9.049 10.093 ( -5.453 -6.582 -7.083) 11.101 10.399 ( 3.310 5.501 7.965) 10.230 10.469 ( 2.416 9.895 2.975) 10.611 10.851 ( -3.172 -3.791 -13.376) 14.260 10.991 ( -2.842 -4.957 -1.972) 6.045 11.136 ( -4.910 0.570 -0.573) 4.976 11.206 ( 0.486 -6.875 3.276) 7.631 11.365 ( 1.088 5.052 -1.734) 5.451 11.460 ( -1.623 0.809 -0.528) 1.888 11.677 ( 2.748 7.372 -2.527) 8.263 11.767 ( 4.294 11.213 -5.598) 13.248 12.061 ( 3.225 -5.324 2.036) 6.549 12.299 ( -4.916 -2.972 -6.537) 8.702 12.538 ( 8.097 3.387 -8.289) 12.073 12.990 ( 8.232 -5.407 2.577) 10.180 13.467 ( -1.624 -3.278 -0.845) 3.755 13.497 ( 4.190 -7.683 2.253) 9.037 13.698 ( 0.816 1.955 5.310) 5.717 14.043 ( 0.157 -7.197 -0.036) 7.199 14.458 ( -1.288 -5.900 4.086) 7.292 14.831 ( -12.810 -8.561 2.218) 15.566 14.956 ( 0.442 -2.758 -5.397) 6.077 15.417 ( -1.121 29.562 -5.996) 30.184 15.522 ( -2.945 22.465 -1.260) 22.692 16.651 ( 5.567 11.962 3.052) 13.543 17.283 ( -14.666 0.406 0.464) 14.679 17.544 ( -6.349 5.808 5.918) 10.443 17.807 ( 0.463 2.750 4.233) 5.069 17.937 ( 5.807 13.699 -2.146) 15.033 18.815 ( 2.951 -1.960 -6.009) 6.976 18.916 ( 13.851 -4.637 -0.529) 14.616 20.149 ( 12.960 4.649 14.636) 20.094 20.678 ( -1.040 -3.213 0.419) 3.403 21.055 ( 2.299 -8.816 -0.442) 9.122 23.307 ( -1.838 14.222 -0.208) 14.342 24.489 ( -8.038 8.397 -9.417) 14.960 25.558 ( -1.660 -5.542 -4.962) 7.622 25.822 ( -3.337 -4.511 1.165) 5.731 27.999 ( 4.871 -1.593 8.006) 9.505 28.447 ( 2.204 -0.867 1.455) 2.780 ======================= Grid point 165 (83/128) ======================= q-point: (-0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -5.602 12.286 10.279) 16.971 1.556 ( -8.132 35.794 3.745) 36.897 1.803 ( -0.614 37.960 -9.597) 39.159 1.848 ( 2.107 6.354 -12.712) 14.367 2.068 ( 9.632 11.751 -14.900) 21.281 2.416 ( -12.261 -1.170 19.254) 22.856 2.509 ( -2.356 22.051 0.103) 22.176 2.815 ( -9.873 8.005 -0.392) 12.717 2.950 ( -4.320 -3.954 -0.176) 5.859 3.142 ( -3.066 0.568 -1.827) 3.614 3.290 ( 6.717 10.123 4.050) 12.806 3.341 ( 6.951 -2.011 -2.050) 7.521 3.753 ( 3.083 2.251 -13.599) 14.124 3.822 ( 8.490 6.964 -1.780) 11.124 3.994 ( 0.493 3.960 -5.269) 6.609 4.208 ( 0.979 6.938 4.036) 8.086 4.431 ( 7.230 2.597 3.318) 8.369 4.810 ( -4.753 2.580 -6.573) 8.512 5.085 ( -1.656 -1.968 -3.242) 4.139 5.454 ( -8.763 -0.576 5.699) 10.469 5.680 ( -7.944 5.805 -6.130) 11.593 5.835 ( -4.980 7.589 -3.432) 9.704 6.090 ( -8.325 0.572 0.756) 8.379 6.292 ( 0.793 -9.036 0.525) 9.086 6.437 ( 0.582 1.575 8.397) 8.563 6.637 ( 9.867 2.844 7.128) 12.500 6.680 ( 0.549 -10.753 3.836) 11.430 7.376 ( -3.633 -8.984 1.560) 9.816 7.516 ( -3.232 1.301 -4.685) 5.838 7.832 ( -2.644 -2.186 0.811) 3.525 8.124 ( -1.789 14.238 6.480) 15.746 8.282 ( 9.690 5.389 0.453) 11.097 8.426 ( -3.426 -2.647 -3.380) 5.493 8.657 ( 3.308 23.251 4.166) 23.851 8.813 ( -0.457 -3.487 4.186) 5.467 9.178 ( 6.126 0.125 -3.308) 6.963 9.279 ( 5.630 -1.375 2.648) 6.371 9.608 ( 5.298 -3.433 1.500) 6.489 9.967 ( -7.766 -4.559 -4.085) 9.888 10.411 ( -0.659 8.864 10.835) 14.015 10.545 ( 3.685 8.404 0.742) 9.207 10.804 ( -0.751 -4.157 -8.598) 9.579 10.854 ( -9.981 -3.721 -1.375) 10.741 11.005 ( -4.083 0.473 -3.825) 5.615 11.251 ( 0.989 -9.137 5.495) 10.708 11.414 ( 1.162 2.395 -2.044) 3.356 11.488 ( 4.905 1.522 -2.518) 5.720 11.678 ( -1.961 5.764 -6.009) 8.555 11.846 ( 4.147 9.969 -5.273) 12.015 12.064 ( -5.292 0.286 -1.897) 5.629 12.240 ( 2.281 -3.919 -1.222) 4.696 12.716 ( 9.544 -0.631 -4.600) 10.613 13.128 ( 3.147 -4.541 4.809) 7.325 13.395 ( -1.711 -4.433 -1.500) 4.983 13.471 ( -7.375 3.047 5.330) 9.596 13.836 ( 10.732 -5.953 1.903) 12.419 14.053 ( 0.952 -9.460 0.763) 9.539 14.414 ( -3.594 -6.110 7.044) 9.994 14.595 ( -11.378 -5.001 3.177) 12.828 14.934 ( -2.151 0.192 -7.667) 7.965 15.262 ( -9.444 16.276 -0.122) 18.818 15.653 ( 11.308 25.528 -7.121) 28.814 16.738 ( 1.721 21.664 3.003) 21.939 17.133 ( 3.110 -7.427 -8.585) 11.770 17.486 ( 0.531 6.742 -0.689) 6.797 17.781 ( -2.805 3.669 6.473) 7.952 18.081 ( 8.199 10.776 -2.881) 13.844 18.832 ( -0.318 -1.545 -2.890) 3.292 19.161 ( 11.248 -5.774 -1.037) 12.686 20.387 ( 8.240 2.083 10.995) 13.897 20.625 ( -4.095 -3.505 -0.000) 5.390 21.127 ( 4.735 -7.732 1.157) 9.140 22.952 ( -38.449 26.525 -34.991) 58.363 24.632 ( 28.241 5.324 27.617) 39.857 25.482 ( -4.950 -5.984 -10.000) 12.661 25.801 ( 0.688 -3.732 4.363) 5.782 28.072 ( 0.698 -2.303 9.086) 9.400 28.488 ( 1.690 -1.481 2.373) 3.268 ======================= Grid point 166 (84/128) ======================= q-point: (-0.10 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 14.648 8.594 23.042) 28.624 1.431 ( -4.982 34.851 10.445) 36.722 1.765 ( -2.564 38.753 -7.472) 39.550 1.896 ( 2.826 4.778 -10.569) 11.939 2.070 ( -9.688 18.501 18.675) 28.016 2.245 ( -5.874 -1.244 18.659) 19.602 2.550 ( 5.220 23.178 -3.964) 24.087 2.660 ( -0.761 10.022 -14.788) 17.880 2.843 ( -4.495 0.177 -0.248) 4.505 3.128 ( 1.305 -1.244 -10.450) 10.604 3.386 ( 1.083 -4.260 -7.721) 8.884 3.464 ( 7.998 11.880 0.148) 14.322 3.858 ( 5.029 3.840 -2.875) 6.949 3.891 ( -1.117 1.026 -7.204) 7.362 4.066 ( 6.912 6.445 -9.991) 13.753 4.266 ( 5.227 0.202 6.127) 8.057 4.586 ( 8.016 5.024 0.315) 9.465 4.738 ( -2.635 8.981 -8.866) 12.892 5.050 ( -0.954 -1.410 -0.189) 1.713 5.238 ( -14.992 -2.370 4.208) 15.751 5.489 ( -7.525 17.233 -5.567) 19.611 5.720 ( -7.320 -0.229 -1.332) 7.444 5.918 ( -7.738 -2.695 -2.441) 8.550 6.332 ( 2.139 -10.929 4.563) 12.035 6.457 ( 0.812 -1.951 9.527) 9.759 6.686 ( -0.280 -9.012 4.596) 10.120 6.800 ( 5.973 -0.252 4.393) 7.419 7.241 ( -8.939 -5.330 0.838) 10.441 7.511 ( 2.257 -5.692 -4.826) 7.797 7.808 ( 0.162 -1.691 -1.048) 1.996 8.114 ( 0.809 14.163 4.172) 14.787 8.376 ( 0.383 -4.320 -5.180) 6.756 8.508 ( 8.343 4.441 2.781) 9.851 8.715 ( -0.561 0.250 -3.968) 4.016 8.793 ( 3.140 13.330 7.125) 15.438 9.319 ( 3.032 1.600 -1.782) 3.864 9.388 ( 8.524 -2.106 4.758) 9.987 9.720 ( 4.606 -2.770 -0.281) 5.382 9.808 ( -5.401 -1.618 4.678) 7.327 10.418 ( 0.505 7.631 12.066) 14.285 10.567 ( -3.244 1.295 -2.013) 4.032 10.732 ( 0.828 -0.012 -3.809) 3.898 10.803 ( 0.346 -5.166 -2.265) 5.651 10.960 ( -0.922 2.544 -1.772) 3.234 11.207 ( -3.663 -2.867 0.924) 4.743 11.478 ( 3.349 -1.495 -3.750) 5.246 11.531 ( -6.703 6.868 -4.232) 10.488 11.610 ( 2.104 1.615 -3.583) 4.458 11.918 ( 2.038 1.982 -2.537) 3.810 11.948 ( -2.514 11.927 -1.094) 12.238 12.330 ( 5.669 -5.110 -0.774) 7.671 12.799 ( -4.819 -8.418 -0.414) 9.709 13.104 ( 0.152 6.141 -1.269) 6.273 13.267 ( -11.575 5.639 8.200) 15.264 13.497 ( 8.229 -10.590 -0.058) 13.411 14.006 ( 4.247 -9.422 5.422) 11.671 14.090 ( 4.078 -7.568 -1.980) 8.822 14.338 ( -5.566 -6.777 10.080) 13.360 14.411 ( -6.780 -1.503 4.005) 8.017 14.869 ( -3.675 0.886 -8.471) 9.276 15.117 ( -5.034 14.662 0.195) 15.504 15.850 ( 7.906 19.278 -5.859) 21.645 16.715 ( -1.584 19.063 -2.030) 19.236 17.336 ( 9.116 -8.087 -5.825) 13.507 17.638 ( 10.940 -1.918 -9.399) 14.550 17.753 ( 8.612 7.450 7.009) 13.372 18.225 ( 7.053 11.771 -4.583) 14.467 18.802 ( -2.592 -1.661 0.927) 3.215 19.346 ( 8.466 -4.640 -1.632) 9.791 20.341 ( -19.535 -1.127 2.522) 19.730 20.543 ( -3.808 -3.258 -0.156) 5.014 21.218 ( 3.868 -7.118 2.101) 8.369 21.914 ( -54.673 54.151 -38.203) 85.912 25.327 ( 0.748 -10.277 -5.395) 11.631 25.616 ( 53.356 -4.297 28.653) 60.715 25.845 ( 5.050 -1.371 5.179) 7.362 28.006 ( -8.554 -1.998 5.082) 10.148 28.516 ( 1.094 -2.136 2.796) 3.685 ======================= Grid point 167 (85/128) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -2.589 12.114 10.686) 16.360 1.731 ( 3.285 8.949 22.176) 24.138 1.824 ( 0.968 -1.825 -9.865) 10.079 2.164 ( 3.482 -3.906 19.038) 19.744 2.383 ( 4.282 23.538 -4.957) 24.433 2.714 ( -4.911 8.894 -13.161) 16.626 2.836 ( -0.181 2.786 -1.877) 3.365 2.859 ( 4.609 22.451 3.606) 23.202 3.087 ( 2.348 -1.702 -8.819) 9.283 3.211 ( 1.141 35.795 1.061) 35.829 3.377 ( 4.024 0.833 -12.814) 13.456 3.874 ( -0.589 3.411 -14.163) 14.580 4.005 ( 3.369 14.553 0.673) 14.953 4.109 ( -1.322 29.917 -2.136) 30.023 4.268 ( 4.981 3.725 -10.446) 12.157 4.354 ( 1.111 1.988 2.161) 3.140 4.760 ( -1.466 3.798 1.918) 4.500 4.913 ( -6.285 0.512 -3.080) 7.018 4.930 ( 0.413 2.902 4.227) 5.144 4.991 ( -0.741 -1.662 -2.911) 3.433 5.509 ( 0.921 -12.445 -1.562) 12.576 5.697 ( -3.088 3.065 -0.547) 4.385 5.742 ( -4.158 5.773 -5.254) 8.844 6.171 ( 1.499 -9.420 4.272) 10.451 6.435 ( -1.473 1.488 11.104) 11.300 6.579 ( -1.534 -0.879 4.888) 5.198 6.922 ( 6.452 -5.625 2.585) 8.941 6.995 ( -8.204 1.452 2.370) 8.662 7.424 ( 2.114 -3.460 -5.227) 6.615 7.761 ( -1.521 -5.797 1.872) 6.278 8.133 ( -0.605 -4.495 1.554) 4.794 8.252 ( 3.522 -12.318 -3.677) 13.329 8.616 ( 0.176 4.987 -1.435) 5.192 8.763 ( 1.363 0.873 2.459) 2.944 9.078 ( -0.047 14.678 6.965) 16.246 9.413 ( -0.131 -6.020 2.872) 6.671 9.498 ( -0.679 -4.165 0.088) 4.221 9.627 ( -6.510 8.168 -7.691) 12.971 9.764 ( 14.283 -9.765 13.861) 22.170 10.276 ( -6.519 -10.684 -6.927) 14.305 10.538 ( -2.323 1.569 0.650) 2.878 10.737 ( 3.463 0.014 4.192) 5.438 10.876 ( 1.028 -3.035 0.012) 3.204 11.072 ( 4.024 8.976 -2.737) 10.210 11.256 ( 2.770 -0.512 -1.437) 3.163 11.447 ( -8.722 4.281 -9.189) 13.373 11.501 ( 0.630 3.441 -1.411) 3.772 11.738 ( 0.354 4.704 -2.024) 5.133 12.050 ( 2.699 9.231 5.245) 10.955 12.196 ( 1.568 10.236 -0.291) 10.359 12.362 ( 7.952 -3.903 -2.280) 9.147 12.483 ( -10.725 -1.260 -4.604) 11.739 13.188 ( -5.117 -0.258 2.103) 5.539 13.218 ( -2.863 -1.203 12.321) 12.706 13.343 ( -0.892 -6.642 0.263) 6.706 13.786 ( 0.724 -9.715 4.560) 10.756 13.994 ( -5.377 -9.226 2.045) 10.873 14.090 ( 2.603 -8.601 4.684) 10.133 14.411 ( 3.007 0.205 2.454) 3.887 14.651 ( -4.126 -7.433 -2.129) 8.764 15.434 ( -0.515 21.330 -0.590) 21.345 16.367 ( 3.719 5.703 -4.883) 8.378 17.114 ( 0.350 34.108 -3.434) 34.283 17.317 ( -4.064 3.938 -1.333) 5.813 17.549 ( 0.333 -1.202 -2.628) 2.909 18.236 ( 7.090 11.422 0.520) 13.454 18.582 ( -0.116 6.855 -9.044) 11.348 18.680 ( -4.094 -3.095 4.647) 6.924 19.517 ( 2.861 7.257 1.470) 7.938 19.972 ( -8.710 6.973 0.976) 11.200 20.411 ( -0.470 -5.402 0.834) 5.486 21.064 ( 0.689 -13.924 3.572) 14.391 22.508 ( -13.975 63.664 -26.558) 70.383 24.944 ( -4.960 -21.428 -10.395) 24.327 25.864 ( 3.950 -0.469 2.850) 4.893 26.274 ( 22.705 -20.105 11.090) 32.291 27.892 ( -0.968 5.167 1.069) 5.364 28.445 ( 0.584 -7.184 2.459) 7.616 ======================= Grid point 168 (86/128) ======================= q-point: ( 0.10 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -5.314 16.333 7.831) 18.877 1.778 ( -0.409 -2.518 -7.189) 7.628 1.966 ( 11.173 13.165 10.503) 20.210 2.271 ( 3.991 0.030 3.355) 5.214 2.483 ( 1.938 7.385 -2.638) 8.078 2.578 ( -3.558 14.286 -10.763) 18.237 2.841 ( 1.869 2.876 1.017) 3.578 2.966 ( 4.542 15.091 4.486) 16.386 3.117 ( 2.610 7.742 2.537) 8.555 3.211 ( -1.445 31.023 -1.055) 31.074 3.431 ( 2.719 2.164 -16.699) 17.056 3.837 ( -4.233 12.539 -13.434) 18.858 3.911 ( -9.936 8.987 -1.687) 13.503 4.167 ( 6.569 24.348 -11.066) 27.540 4.318 ( 1.034 5.755 -11.493) 12.895 4.380 ( 2.606 1.787 2.038) 3.760 4.610 ( -12.111 4.488 3.362) 13.346 4.758 ( -2.308 3.220 4.637) 6.099 4.938 ( -2.833 -1.815 0.760) 3.449 5.157 ( 13.365 1.822 0.425) 13.495 5.575 ( 4.254 -9.769 -1.818) 10.809 5.697 ( 3.971 6.917 0.408) 7.987 5.780 ( 6.332 -3.190 0.367) 7.099 6.176 ( -1.558 -9.920 2.404) 10.325 6.388 ( -5.044 0.525 12.470) 13.462 6.543 ( -1.848 0.821 4.714) 5.130 6.851 ( -4.533 0.088 1.044) 4.653 7.104 ( 9.887 -3.117 3.711) 11.011 7.485 ( 4.660 -3.418 -5.210) 7.781 7.733 ( -0.995 -5.046 2.310) 5.638 8.152 ( 2.287 -1.622 0.646) 2.877 8.335 ( 5.145 -12.779 -3.038) 14.107 8.617 ( -1.577 6.050 0.035) 6.252 8.732 ( -2.338 0.648 1.769) 3.002 9.015 ( -7.404 14.371 7.437) 17.795 9.335 ( -4.698 -6.716 2.132) 8.468 9.492 ( 0.388 -2.452 3.968) 4.681 9.531 ( -4.420 8.546 -6.778) 11.769 10.078 ( 6.849 -7.644 2.241) 10.505 10.199 ( 4.539 -12.151 -1.562) 13.065 10.515 ( -0.349 -0.463 0.171) 0.604 10.753 ( -3.951 2.899 0.812) 4.967 10.876 ( 3.955 -4.046 0.196) 5.661 11.172 ( -0.789 3.806 -8.827) 9.645 11.264 ( 6.001 9.551 1.146) 11.338 11.360 ( -1.469 -3.236 -2.184) 4.171 11.471 ( -2.880 5.342 -2.216) 6.460 11.740 ( 0.651 7.652 -4.102) 8.707 12.059 ( -4.342 10.368 2.347) 11.483 12.183 ( -0.846 12.780 1.106) 12.856 12.304 ( -5.785 -1.305 -6.223) 8.596 12.571 ( 9.845 -5.983 0.931) 11.559 13.058 ( -3.816 6.299 5.157) 8.991 13.203 ( -2.989 -14.662 9.919) 17.952 13.310 ( -1.973 -7.062 1.954) 7.588 13.789 ( -1.548 -9.547 6.135) 11.454 13.862 ( -6.427 -6.511 2.052) 9.376 14.154 ( 2.303 -8.123 4.597) 9.613 14.473 ( 1.471 -3.274 0.916) 3.704 14.606 ( 1.423 -4.927 -1.721) 5.409 15.472 ( 4.627 20.511 -0.425) 21.031 16.452 ( 5.575 5.864 -7.530) 11.053 16.974 ( -15.436 32.097 5.028) 35.969 17.273 ( 2.770 20.276 -2.361) 20.600 17.626 ( 7.803 -0.574 -9.536) 12.335 18.273 ( -2.928 8.511 0.839) 9.040 18.475 ( -7.737 12.684 -8.529) 17.132 18.603 ( -4.313 -0.690 6.903) 8.169 19.270 ( -15.863 6.509 2.013) 17.264 20.173 ( 14.043 0.751 6.458) 15.475 20.429 ( 1.691 -5.064 1.378) 5.514 21.054 ( -1.842 -13.007 2.501) 13.373 22.469 ( 10.735 55.895 -10.421) 57.862 24.888 ( 0.147 -22.381 -5.399) 23.024 25.893 ( -1.232 -0.064 -1.188) 1.713 26.284 ( -17.795 -14.961 -8.279) 24.678 28.030 ( 11.518 -1.423 2.649) 11.904 28.460 ( 0.669 -6.749 1.911) 7.046 ======================= Grid point 169 (87/128) ======================= q-point: ( 0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 9.640 17.005 -6.506) 20.601 1.766 ( -0.172 -1.764 -11.535) 11.671 2.069 ( -4.726 11.886 -9.588) 15.985 2.306 ( 5.800 8.774 -0.284) 10.522 2.498 ( 2.940 1.903 4.523) 5.721 2.563 ( -1.163 12.428 -3.295) 12.910 2.907 ( -1.332 -3.372 1.414) 3.892 2.978 ( 2.206 6.825 -1.191) 7.271 3.144 ( -3.888 18.804 -2.739) 19.396 3.284 ( 11.633 22.837 11.237) 27.984 3.445 ( -1.489 2.879 -13.286) 13.676 3.598 ( -16.540 15.552 -4.457) 23.137 3.802 ( -0.237 17.750 -9.853) 20.302 4.204 ( -3.414 16.978 -7.276) 18.784 4.309 ( -3.440 8.350 -4.578) 10.125 4.444 ( 4.099 2.711 -7.291) 8.793 4.503 ( 2.166 -0.812 2.956) 3.753 4.758 ( 1.072 4.032 5.771) 7.121 4.908 ( 1.995 -0.533 -1.528) 2.569 5.413 ( 12.127 -2.309 1.201) 12.403 5.636 ( 2.504 -2.564 0.660) 3.644 5.825 ( 7.592 -0.087 1.989) 7.849 5.903 ( 3.882 -2.055 2.784) 5.200 6.117 ( -3.151 -14.808 0.027) 15.140 6.273 ( -7.456 5.155 14.083) 16.748 6.535 ( 0.238 0.864 4.795) 4.878 6.815 ( 0.996 4.558 -0.465) 4.688 7.292 ( 8.629 -3.950 2.647) 9.852 7.600 ( 7.852 -0.153 -3.841) 8.743 7.739 ( 1.303 -3.997 2.558) 4.921 8.208 ( 2.754 1.240 1.104) 3.216 8.421 ( 1.238 -12.008 -0.758) 12.096 8.538 ( -3.302 5.214 -1.328) 6.313 8.704 ( -1.523 8.418 6.300) 10.624 8.916 ( -1.281 5.380 3.488) 6.538 9.240 ( -6.462 -5.510 0.881) 8.538 9.410 ( -4.253 9.870 -5.335) 11.998 9.507 ( -1.271 1.419 3.850) 4.296 10.037 ( -4.957 -4.564 -9.095) 11.319 10.315 ( 1.072 -7.699 7.675) 10.924 10.526 ( 0.499 -1.401 -0.717) 1.651 10.706 ( 0.716 -1.987 -0.334) 2.138 11.007 ( 7.811 -3.191 1.398) 8.553 11.136 ( 0.212 6.314 -6.474) 9.045 11.310 ( -2.550 1.871 -2.726) 4.176 11.355 ( -0.916 0.134 -2.177) 2.366 11.489 ( 5.606 9.081 1.875) 10.835 11.779 ( 4.683 11.188 -7.117) 14.062 11.932 ( -6.284 9.015 -0.550) 11.003 12.163 ( -3.353 5.821 -0.762) 6.761 12.240 ( -0.005 4.172 -1.245) 4.354 12.609 ( -5.433 1.914 -0.059) 5.761 13.075 ( -3.508 -11.949 -0.394) 12.459 13.142 ( 3.167 -7.786 6.937) 10.899 13.298 ( -0.017 -6.971 6.268) 9.374 13.710 ( -4.890 -12.343 4.213) 13.929 13.802 ( -1.002 -1.245 2.644) 3.090 14.177 ( -0.351 -9.082 7.153) 11.566 14.511 ( 4.058 -3.800 0.191) 5.562 14.674 ( 4.362 -6.573 -3.270) 8.540 15.607 ( 8.941 18.210 -0.702) 20.299 16.558 ( 5.727 10.427 -9.007) 14.922 16.709 ( -9.767 37.899 5.292) 39.494 17.355 ( 5.334 21.930 1.235) 22.603 17.809 ( 11.145 0.927 -10.679) 15.463 18.165 ( -6.861 7.074 1.088) 9.915 18.358 ( -3.436 14.264 -5.013) 15.505 18.521 ( -5.093 0.963 7.806) 9.370 19.005 ( -12.988 2.830 3.469) 13.739 20.311 ( -0.725 0.956 8.792) 8.874 20.465 ( 2.371 -8.271 1.097) 8.673 20.994 ( -4.696 -12.099 0.447) 12.987 22.824 ( 23.499 41.191 1.706) 47.453 24.941 ( 5.320 -20.643 -0.285) 21.320 25.695 ( -23.774 -0.717 -14.235) 27.719 25.941 ( -7.057 -3.323 -6.261) 10.002 28.186 ( 3.099 -4.910 1.716) 6.054 28.467 ( -0.333 -5.709 1.042) 5.812 ======================= Grid point 170 (88/128) ======================= q-point: ( 0.30 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 18.327 10.983 -18.635) 28.350 1.737 ( -1.021 2.321 -15.416) 15.623 1.962 ( -0.803 9.315 -13.255) 16.221 2.408 ( -2.453 -1.675 -1.822) 3.484 2.501 ( 5.276 14.786 5.912) 16.776 2.641 ( 3.992 13.665 -1.000) 14.271 2.786 ( -6.867 1.577 -1.918) 7.302 2.952 ( -7.236 -2.946 -1.866) 8.032 3.133 ( 2.179 12.197 -0.265) 12.393 3.295 ( -10.867 20.739 -1.992) 23.498 3.335 ( -8.780 17.938 -5.841) 20.809 3.540 ( 12.191 11.364 7.794) 18.399 3.847 ( 3.621 18.983 -9.312) 21.452 4.104 ( -5.032 10.014 -4.787) 12.186 4.243 ( -2.654 8.367 1.564) 8.916 4.472 ( 0.451 4.408 -7.288) 8.529 4.560 ( 2.137 -1.771 0.447) 2.811 4.769 ( -0.673 4.707 6.327) 7.915 5.043 ( 9.377 -5.086 -5.030) 11.795 5.593 ( 5.875 -6.073 0.056) 8.449 5.690 ( 3.502 1.180 3.568) 5.137 5.863 ( -5.073 -1.081 0.606) 5.222 5.963 ( 4.940 -2.878 4.571) 7.320 6.097 ( -3.011 -5.700 7.797) 10.117 6.183 ( 0.656 0.041 4.923) 4.966 6.526 ( -2.115 -1.928 4.880) 5.657 6.899 ( 7.579 8.988 -0.920) 11.793 7.423 ( 4.475 -1.257 1.487) 4.880 7.759 ( 5.083 -3.317 -1.368) 6.222 7.787 ( 6.157 3.390 1.799) 7.255 8.213 ( -4.860 2.574 0.901) 5.573 8.318 ( -4.397 4.297 0.225) 6.152 8.606 ( 4.822 -10.268 -0.799) 11.372 8.695 ( 1.219 15.704 9.457) 18.373 8.952 ( 3.441 -0.816 -2.420) 4.285 9.105 ( -5.686 -1.999 -1.349) 6.176 9.371 ( -0.980 12.416 -0.137) 12.455 9.476 ( -1.418 -1.179 1.725) 2.525 9.892 ( -7.726 -2.317 -6.754) 10.521 10.321 ( -0.957 -7.440 4.206) 8.601 10.537 ( 2.083 0.112 -1.765) 2.732 10.722 ( -0.412 -2.129 3.851) 4.419 11.050 ( -2.161 -6.659 0.649) 7.030 11.206 ( 2.944 11.169 1.025) 11.596 11.277 ( 1.044 -1.172 -3.882) 4.187 11.354 ( 2.266 4.478 -10.227) 11.392 11.555 ( 0.968 10.629 3.502) 11.233 11.841 ( -2.475 10.349 1.560) 10.755 11.933 ( 10.593 10.145 -11.785) 18.816 12.089 ( -3.072 -4.643 -5.398) 7.754 12.248 ( -0.718 8.140 4.620) 9.388 12.462 ( -7.655 5.367 -2.881) 9.783 12.933 ( -8.259 -9.899 -1.887) 13.029 13.185 ( -3.178 -17.213 4.199) 18.001 13.336 ( 3.831 -2.484 4.510) 6.418 13.661 ( -0.908 -9.625 3.587) 10.312 13.815 ( 2.302 -1.111 2.326) 3.456 14.177 ( 0.476 -9.035 7.519) 11.764 14.599 ( 3.678 -6.040 -1.128) 7.162 14.772 ( 6.476 -8.662 -3.164) 11.268 15.792 ( 10.027 17.608 -0.852) 20.281 16.626 ( -0.247 47.939 2.888) 48.027 16.638 ( 2.571 9.567 -6.829) 12.032 17.490 ( 8.879 14.996 3.160) 17.711 17.922 ( -3.362 8.155 3.714) 9.570 18.124 ( 6.480 0.666 -8.784) 10.936 18.322 ( -0.414 10.093 -3.175) 10.589 18.414 ( -6.442 0.838 6.643) 9.292 18.761 ( -12.558 7.541 4.748) 15.398 20.207 ( -8.812 5.098 8.755) 13.427 20.526 ( 3.485 -12.860 0.575) 13.336 20.878 ( -6.844 -12.198 -1.176) 14.037 23.265 ( 19.713 29.727 7.378) 36.425 25.071 ( 7.412 -17.886 3.280) 19.637 25.220 ( -19.952 8.327 -17.123) 27.579 25.871 ( -1.743 -6.598 -4.852) 8.373 28.161 ( -4.806 -2.901 0.154) 5.616 28.444 ( -2.112 -4.930 0.086) 5.364 ======================= Grid point 171 (89/128) ======================= q-point: ( 0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 5.503 4.925 -17.179) 18.699 1.817 ( 8.306 3.700 -23.228) 24.944 2.057 ( 10.740 8.704 -8.823) 16.400 2.361 ( 1.006 -0.301 -2.226) 2.461 2.470 ( -14.158 2.967 -2.469) 14.675 2.597 ( -0.872 17.286 -3.629) 17.684 2.752 ( -0.949 8.504 -2.461) 8.904 2.907 ( 3.905 6.717 -0.920) 7.824 3.060 ( -8.180 6.684 1.752) 10.708 3.146 ( -6.213 6.721 2.081) 9.387 3.247 ( 1.130 30.536 0.567) 30.562 3.749 ( 8.510 8.535 4.306) 12.799 3.860 ( -2.859 26.640 -1.209) 26.820 4.006 ( -3.450 1.604 -5.317) 6.538 4.221 ( -0.731 4.794 -3.803) 6.163 4.499 ( 3.444 9.208 -0.396) 9.839 4.583 ( 0.258 -0.970 -0.004) 1.004 4.730 ( -4.455 4.032 3.022) 6.726 5.173 ( 4.466 -10.241 -2.800) 11.518 5.636 ( -1.204 -6.761 1.802) 7.100 5.756 ( 0.066 0.220 6.636) 6.640 5.799 ( 0.854 -0.067 -0.335) 0.919 6.002 ( 0.903 6.419 5.161) 8.286 6.099 ( 3.443 -4.999 4.738) 7.700 6.244 ( 3.545 -5.593 1.185) 6.727 6.464 ( -4.350 -4.421 3.790) 7.269 7.077 ( 10.024 8.335 -0.100) 13.037 7.451 ( -1.842 6.818 0.656) 7.093 7.804 ( 1.777 -4.664 0.729) 5.044 7.922 ( 4.382 3.635 2.210) 6.107 8.058 ( -8.183 4.762 -0.742) 9.497 8.303 ( 0.349 10.531 4.340) 11.396 8.636 ( 1.298 0.859 0.076) 1.558 8.803 ( 6.879 0.142 1.883) 7.133 8.958 ( -2.358 -6.770 -2.086) 7.466 9.086 ( 2.394 2.465 -1.993) 3.973 9.333 ( -2.871 16.392 1.730) 16.731 9.439 ( -3.783 -0.646 0.105) 3.839 9.829 ( 3.405 -2.730 -2.304) 4.935 10.267 ( -4.577 -7.638 -0.065) 8.905 10.611 ( 5.117 -1.997 -0.542) 5.520 10.698 ( -1.973 0.423 6.284) 6.600 10.998 ( -2.826 -3.569 1.442) 4.775 11.201 ( -1.652 11.522 1.343) 11.717 11.321 ( 2.088 -3.606 -1.591) 4.460 11.420 ( 5.117 6.683 -10.817) 13.706 11.545 ( -1.593 12.100 -0.499) 12.215 11.825 ( 0.033 7.345 -1.899) 7.586 12.014 ( -2.559 1.157 -9.895) 10.286 12.141 ( 3.820 6.326 -5.768) 9.375 12.205 ( 1.754 4.000 4.252) 6.095 12.370 ( -1.879 5.523 -3.627) 6.870 12.779 ( -6.979 -8.969 -2.503) 11.637 13.096 ( -4.432 -15.851 -1.744) 16.551 13.400 ( 1.874 -4.748 7.613) 9.166 13.654 ( -0.498 -9.226 4.029) 10.080 13.887 ( 4.496 0.237 0.445) 4.524 14.217 ( 2.863 -8.157 5.994) 10.519 14.645 ( 1.766 -6.394 -2.412) 7.058 14.880 ( 3.739 -13.179 -3.446) 14.126 15.992 ( 10.540 19.060 -0.737) 21.793 16.599 ( -4.487 5.473 2.436) 7.485 16.676 ( 2.410 61.366 -4.283) 61.562 17.704 ( 12.343 5.638 3.808) 14.094 17.818 ( -4.898 5.381 4.809) 8.722 18.176 ( -5.533 5.737 10.260) 12.992 18.270 ( -7.046 2.152 0.744) 7.404 18.398 ( 6.980 -2.500 -11.340) 13.548 18.567 ( -5.824 17.931 3.166) 19.117 20.046 ( -7.452 6.244 7.972) 12.573 20.584 ( 2.015 -10.699 -0.031) 10.887 20.757 ( -4.698 -16.107 -1.244) 16.824 23.538 ( 7.682 24.773 5.692) 26.554 24.961 ( -5.714 12.839 -11.965) 18.457 25.206 ( 5.803 -16.198 4.517) 17.789 25.851 ( -0.142 -9.067 -4.438) 10.096 28.040 ( -6.806 -0.159 -1.047) 6.887 28.394 ( -2.600 -4.714 -0.498) 5.407 ======================= Grid point 172 (90/128) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 3.272 5.137 -14.557) 15.779 1.894 ( 2.415 2.903 -27.300) 27.560 2.182 ( -8.170 2.383 -6.110) 10.477 2.186 ( -1.275 0.821 -4.704) 4.942 2.439 ( -0.109 10.487 -5.760) 11.965 2.612 ( 9.239 15.608 -4.879) 18.783 2.750 ( -1.425 9.374 -0.810) 9.516 2.854 ( -3.778 -2.237 -2.257) 4.937 2.984 ( -2.596 1.450 3.021) 4.239 3.129 ( 2.553 40.673 2.194) 40.812 3.297 ( 3.338 5.940 6.211) 9.219 3.757 ( -5.469 16.642 2.208) 17.657 3.862 ( 2.586 18.598 -0.181) 18.777 3.988 ( 1.192 1.150 -0.818) 1.848 4.169 ( -3.881 5.709 -7.409) 10.126 4.534 ( -8.358 5.271 6.319) 11.729 4.549 ( -1.813 5.302 -0.333) 5.613 4.681 ( 5.203 2.048 0.965) 5.674 5.237 ( 2.515 -9.551 -4.589) 10.891 5.584 ( -3.981 -4.045 6.144) 8.364 5.723 ( -0.994 -1.658 2.420) 3.097 5.835 ( -0.168 -2.520 4.285) 4.974 6.082 ( 6.679 6.138 0.408) 9.080 6.171 ( 2.857 -4.652 3.784) 6.643 6.306 ( 2.701 -3.106 1.457) 4.366 6.389 ( -2.950 -8.134 2.197) 8.927 7.241 ( 4.540 2.062 -0.364) 4.999 7.374 ( -3.893 19.325 0.078) 19.713 7.813 ( -2.126 -4.816 2.734) 5.932 7.941 ( -1.214 3.302 2.968) 4.603 7.949 ( -2.699 3.438 1.516) 4.626 8.306 ( -0.583 11.528 3.835) 12.163 8.696 ( 3.841 -0.486 -3.184) 5.013 8.866 ( -1.133 -11.288 1.059) 11.394 8.977 ( 5.062 6.780 -1.147) 8.539 9.087 ( -1.720 -3.135 -7.169) 8.012 9.290 ( -1.547 15.227 3.454) 15.690 9.351 ( -4.205 7.963 4.134) 9.909 9.984 ( 10.431 -4.070 -3.034) 11.601 10.170 ( -4.284 -7.324 -1.209) 8.571 10.672 ( -0.900 2.164 6.056) 6.494 10.709 ( 4.290 -4.402 -0.084) 6.147 10.955 ( -1.601 -0.596 0.984) 1.971 11.159 ( -3.212 7.729 2.718) 8.800 11.323 ( -1.325 3.993 -0.729) 4.270 11.521 ( 5.281 1.164 -8.736) 10.274 11.560 ( 4.196 10.865 -4.050) 12.331 11.778 ( -4.392 6.714 -8.150) 11.437 11.967 ( -0.537 1.137 -5.159) 5.310 12.049 ( -8.326 7.772 5.551) 12.671 12.312 ( -0.300 3.816 -2.658) 4.660 12.401 ( 8.092 2.168 -7.224) 11.062 12.693 ( -1.158 -9.105 -2.742) 9.579 13.053 ( 0.854 -13.122 -3.577) 13.627 13.425 ( 0.240 -5.575 8.170) 9.894 13.645 ( -0.853 -9.784 4.008) 10.608 13.967 ( 3.458 1.713 -1.238) 4.053 14.284 ( 3.203 -7.287 4.056) 8.934 14.674 ( 1.621 -7.680 -3.208) 8.480 14.894 ( -1.786 -14.501 -3.428) 15.007 16.134 ( 1.365 17.633 -1.667) 17.764 16.495 ( -4.244 17.073 3.339) 17.907 16.703 ( 0.717 53.616 -1.840) 53.652 17.757 ( -1.421 2.811 5.777) 6.580 17.912 ( 2.791 0.702 7.264) 7.813 18.012 ( -10.946 7.317 6.834) 14.834 18.123 ( -2.290 3.561 1.704) 4.564 18.472 ( 2.116 16.346 0.865) 16.505 18.609 ( 7.267 1.028 -8.912) 11.545 19.971 ( -0.519 6.591 7.930) 10.325 20.591 ( -0.697 -5.537 -0.986) 5.667 20.722 ( 0.624 -21.480 -0.340) 21.492 23.608 ( 1.037 24.743 3.004) 24.946 24.922 ( 0.182 13.481 -8.449) 15.911 25.297 ( 3.408 -15.982 3.801) 16.778 25.839 ( -1.413 -9.545 -3.937) 10.422 27.933 ( -3.509 1.725 -0.269) 3.920 28.357 ( -0.975 -4.942 -0.360) 5.050 ======================= Grid point 173 (91/128) ======================= q-point: (-0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -14.729 8.194 -17.540) 24.326 1.861 ( -2.994 1.320 -25.077) 25.290 2.011 ( -5.307 7.492 -12.032) 15.135 2.275 ( 6.737 1.392 0.069) 6.880 2.487 ( 6.204 7.721 -2.044) 10.114 2.666 ( -3.687 4.026 1.090) 5.567 2.675 ( -3.082 7.642 -4.540) 9.408 2.943 ( 0.139 4.609 0.356) 4.625 2.984 ( 10.449 7.652 0.876) 12.981 3.181 ( 3.143 41.537 -0.043) 41.656 3.307 ( -4.110 3.052 8.586) 9.996 3.717 ( 1.119 7.617 -3.329) 8.388 3.881 ( 0.294 16.150 -4.111) 16.668 4.008 ( -0.342 6.833 3.199) 7.552 4.082 ( -4.402 10.976 -5.746) 13.147 4.333 ( -8.280 3.829 8.958) 12.786 4.503 ( -3.067 6.150 1.204) 6.977 4.826 ( 7.615 1.274 0.443) 7.734 5.219 ( -5.158 -3.266 -5.716) 8.364 5.520 ( -2.437 -6.325 6.586) 9.450 5.750 ( 3.509 -3.449 0.362) 4.934 5.794 ( -3.595 -3.532 4.899) 7.029 6.189 ( -1.064 -7.835 -0.230) 7.910 6.232 ( 7.734 6.259 0.373) 9.956 6.339 ( 0.514 -7.383 -1.712) 7.596 6.390 ( 3.027 -4.708 6.927) 8.906 7.141 ( -10.510 15.323 -2.663) 18.771 7.399 ( 1.776 9.586 2.353) 10.029 7.738 ( -5.200 -0.220 5.364) 7.474 7.883 ( -3.188 -2.529 1.659) 4.395 7.986 ( 4.499 4.154 2.411) 6.582 8.294 ( -0.685 7.263 2.080) 7.586 8.681 ( -5.892 -6.567 0.200) 8.825 8.854 ( -0.600 -7.778 -0.125) 7.803 9.027 ( -0.187 8.677 -2.371) 8.997 9.077 ( 0.693 -5.968 -5.820) 8.365 9.263 ( -0.830 14.137 4.059) 14.731 9.351 ( 4.996 16.992 3.823) 18.119 10.026 ( -4.088 -10.164 -7.556) 13.308 10.261 ( 11.417 -1.017 0.842) 11.493 10.674 ( 0.543 4.738 5.450) 7.242 10.752 ( -0.433 -7.077 -1.707) 7.293 10.937 ( -0.454 0.531 0.035) 0.700 11.090 ( -3.069 0.204 1.638) 3.485 11.315 ( 0.444 12.445 -1.581) 12.553 11.540 ( -3.606 -1.876 -8.768) 9.664 11.627 ( 0.763 8.474 -6.121) 10.482 11.764 ( 4.868 7.604 0.339) 9.035 11.863 ( -8.269 4.831 3.840) 10.319 11.974 ( 1.039 2.633 -4.864) 5.628 12.292 ( -0.929 -1.972 -2.184) 3.086 12.528 ( 5.406 5.355 -8.182) 11.174 12.728 ( 4.310 -9.210 -0.445) 10.178 13.134 ( 7.700 -11.070 -3.146) 13.847 13.427 ( -0.745 -5.162 6.109) 8.033 13.628 ( -1.122 -10.441 4.057) 11.258 14.004 ( 0.316 2.652 -1.773) 3.206 14.334 ( 1.458 -6.773 2.605) 7.402 14.698 ( 0.683 -9.732 -3.132) 10.247 14.821 ( -4.829 -12.616 -3.218) 13.886 16.014 ( -10.721 15.662 -1.351) 19.028 16.457 ( -2.321 34.808 2.893) 35.005 16.725 ( 2.404 28.318 -1.046) 28.439 17.673 ( -11.342 3.299 14.082) 18.380 17.807 ( -9.167 8.072 -0.506) 12.225 17.869 ( 0.857 9.361 2.849) 9.822 18.223 ( 5.755 13.555 1.401) 14.793 18.564 ( 8.039 5.478 1.939) 9.919 18.727 ( 5.297 -2.160 -7.010) 9.048 20.044 ( 7.056 5.320 8.330) 12.144 20.584 ( -0.031 -6.816 0.007) 6.816 20.750 ( 2.346 -18.765 -0.845) 18.930 23.642 ( 3.159 26.490 4.021) 26.979 24.877 ( -5.016 14.117 -11.391) 18.821 25.352 ( 2.129 -15.925 1.771) 16.164 25.777 ( -4.650 -9.563 -3.688) 11.255 27.919 ( 1.861 2.108 2.890) 4.032 28.360 ( 1.125 -5.251 0.543) 5.398 ======================= Grid point 174 (92/128) ======================= q-point: (-0.30 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -17.814 13.071 -11.839) 25.067 1.792 ( -2.109 -2.198 -20.606) 20.830 1.966 ( 3.550 10.458 -18.141) 21.238 2.305 ( -5.753 14.075 3.891) 15.695 2.547 ( -7.333 -3.782 9.492) 12.577 2.614 ( 3.911 15.032 0.221) 15.534 2.694 ( 6.249 -6.973 -6.491) 11.393 3.006 ( 5.331 5.611 -4.359) 8.883 3.060 ( -3.763 11.190 3.253) 12.246 3.202 ( -0.152 29.422 2.338) 29.515 3.305 ( 3.654 11.373 3.548) 12.461 3.696 ( -4.673 7.058 1.447) 8.588 3.811 ( -4.330 2.232 -18.098) 18.742 4.024 ( 2.688 20.149 5.543) 21.069 4.041 ( 1.681 15.509 0.846) 15.623 4.325 ( 5.191 5.438 7.449) 10.583 4.442 ( -3.281 5.417 0.233) 6.337 4.935 ( 1.984 1.064 0.421) 2.291 5.068 ( -6.634 -0.040 -6.310) 9.156 5.477 ( -3.786 -8.039 4.922) 10.158 5.714 ( -4.071 -4.341 0.345) 5.962 5.859 ( 6.508 -5.225 1.712) 8.519 6.139 ( -4.034 -9.421 -1.055) 10.302 6.268 ( -3.403 -2.682 -1.909) 4.735 6.423 ( 7.027 -4.672 0.141) 8.440 6.472 ( 4.294 0.650 7.989) 9.093 6.914 ( -11.915 20.238 -2.034) 23.572 7.387 ( -2.700 4.584 2.851) 6.035 7.620 ( -7.267 0.736 4.185) 8.418 7.844 ( -1.566 -4.808 -0.260) 5.063 8.104 ( 6.990 2.663 5.333) 9.187 8.288 ( -0.104 3.009 0.715) 3.094 8.528 ( -8.734 -5.695 1.685) 10.562 8.834 ( -0.568 -6.968 1.465) 7.143 8.921 ( -7.611 4.786 3.307) 9.580 9.160 ( 6.787 4.720 -6.912) 10.775 9.267 ( 0.173 2.157 4.079) 4.617 9.509 ( 9.360 21.345 -0.893) 23.324 9.941 ( -3.581 -8.010 -6.088) 10.679 10.460 ( 8.287 0.707 0.051) 8.317 10.680 ( -2.738 4.884 4.310) 7.066 10.713 ( 0.220 -5.488 -1.964) 5.833 10.912 ( -2.999 -1.903 -4.633) 5.838 11.072 ( 0.767 -4.276 2.326) 4.928 11.261 ( -8.281 10.436 -2.458) 13.547 11.456 ( -2.536 -1.010 -5.213) 5.885 11.573 ( -1.051 14.440 0.690) 14.495 11.830 ( 0.963 3.525 -2.716) 4.553 11.877 ( 6.480 1.054 2.376) 6.982 11.986 ( 0.373 1.917 -4.770) 5.154 12.271 ( -1.218 -1.308 -1.145) 2.122 12.623 ( 5.546 6.756 -7.183) 11.314 12.835 ( 6.660 -11.103 1.510) 13.035 13.316 ( 9.612 -10.353 -1.154) 14.174 13.402 ( -1.595 -3.154 1.398) 3.800 13.620 ( 0.213 -10.833 5.147) 11.995 13.974 ( -3.261 2.127 -1.089) 4.042 14.337 ( -1.369 -6.552 2.942) 7.312 14.643 ( -6.825 -8.394 0.431) 10.827 14.761 ( -0.222 -11.586 -6.384) 13.231 15.804 ( -10.287 16.886 -1.120) 19.804 16.386 ( -4.535 33.156 2.280) 33.542 16.806 ( 6.748 14.143 -3.096) 15.973 17.434 ( -12.652 12.431 9.241) 20.000 17.667 ( -5.272 8.932 -1.735) 10.516 17.928 ( 3.030 11.589 5.353) 13.120 18.303 ( 3.682 20.645 -1.491) 21.024 18.743 ( 6.839 -4.466 -1.850) 8.375 18.820 ( 7.443 -2.912 -0.700) 8.023 20.225 ( 9.785 0.699 8.361) 12.890 20.570 ( -1.578 -8.128 -0.052) 8.280 20.820 ( 4.899 -13.926 0.534) 14.772 23.732 ( 4.096 29.402 -1.501) 29.724 24.724 ( -7.490 15.651 -8.268) 19.220 25.373 ( -0.648 -14.382 -4.692) 15.142 25.679 ( -3.922 -10.554 0.317) 11.263 27.988 ( 3.964 1.208 6.057) 7.338 28.391 ( 1.742 -5.474 1.705) 5.992 ======================= Grid point 175 (93/128) ======================= q-point: (-0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -5.120 16.410 3.015) 17.453 1.747 ( -0.102 -6.161 -13.930) 15.232 2.097 ( -2.305 6.719 -5.851) 9.203 2.151 ( 1.926 22.317 -3.438) 22.662 2.381 ( -9.001 -1.624 12.823) 15.751 2.661 ( 1.088 18.081 -0.403) 18.118 2.825 ( 5.555 -5.411 -7.122) 10.529 2.925 ( -7.273 14.698 -0.976) 16.428 3.050 ( -3.135 -2.984 2.357) 4.928 3.225 ( 0.494 32.655 1.921) 32.716 3.301 ( -0.841 0.647 -4.661) 4.780 3.693 ( 6.166 18.782 2.762) 19.960 3.813 ( 5.566 3.870 -11.881) 13.679 4.059 ( -0.149 5.176 2.575) 5.783 4.114 ( 4.874 27.569 -1.112) 28.019 4.371 ( -2.937 7.440 -1.143) 8.080 4.489 ( 9.467 3.366 1.374) 10.141 4.873 ( -3.515 4.094 -3.694) 6.539 5.040 ( 0.241 -2.493 -2.714) 3.694 5.363 ( -8.332 -6.575 4.562) 11.552 5.636 ( -4.098 -8.312 -2.981) 9.735 5.964 ( 0.818 0.352 0.628) 1.089 6.044 ( -3.266 -13.131 2.994) 13.858 6.147 ( -8.660 -1.563 -6.791) 11.116 6.526 ( -0.297 4.215 5.980) 7.322 6.529 ( 2.447 -0.840 3.939) 4.713 6.752 ( -2.045 10.076 1.059) 10.335 7.314 ( -5.198 1.994 2.263) 6.010 7.489 ( -5.852 -0.632 0.230) 5.890 7.804 ( -2.261 -5.303 0.521) 5.789 8.208 ( 1.643 -3.632 3.723) 5.455 8.271 ( -4.003 -4.165 3.968) 7.008 8.438 ( 3.553 3.583 0.816) 5.111 8.774 ( -5.969 -0.399 -1.610) 6.196 8.902 ( 6.173 1.625 9.295) 11.275 9.254 ( -1.710 -3.624 2.705) 4.835 9.300 ( 7.864 5.907 -3.497) 10.439 9.657 ( 5.496 9.943 -3.925) 12.019 9.878 ( -3.418 0.786 -3.338) 4.842 10.542 ( -0.201 2.018 6.421) 6.734 10.659 ( 1.845 -3.765 -2.345) 4.804 10.726 ( -1.214 3.650 0.835) 3.936 10.786 ( -9.063 -5.443 -8.716) 13.702 11.059 ( -2.634 2.146 5.259) 6.261 11.134 ( -0.419 2.892 -1.910) 3.491 11.432 ( 0.224 -0.465 -2.547) 2.598 11.627 ( 4.632 12.174 0.672) 13.043 11.795 ( -4.420 4.682 -7.600) 9.960 11.976 ( 0.214 -3.834 -1.561) 4.145 12.024 ( 7.144 5.082 0.747) 8.799 12.246 ( -0.892 2.084 -0.834) 2.415 12.708 ( 2.529 1.986 -2.809) 4.270 12.988 ( 8.834 -10.286 1.308) 13.622 13.315 ( -3.640 -3.703 -1.000) 5.288 13.495 ( 2.953 -1.751 1.247) 3.652 13.667 ( 5.117 -11.694 5.694) 13.977 13.900 ( -2.819 -2.392 -0.829) 3.789 14.287 ( -4.361 -7.247 5.641) 10.166 14.496 ( -7.308 -3.813 0.982) 8.301 14.754 ( -0.521 -11.722 -6.444) 13.387 15.623 ( -8.330 19.003 -1.298) 20.790 16.321 ( -1.836 21.068 1.127) 21.178 17.001 ( 13.604 8.957 -5.672) 17.247 17.234 ( -8.033 20.251 2.171) 21.894 17.597 ( -1.852 6.499 -3.740) 7.724 17.970 ( 1.247 16.960 8.967) 19.225 18.392 ( 5.941 18.430 -4.527) 19.886 18.780 ( -0.476 -4.145 -1.942) 4.601 19.032 ( 12.113 -4.415 0.924) 12.925 20.361 ( 1.802 -8.659 5.301) 10.311 20.541 ( -1.340 -2.680 1.089) 3.188 20.924 ( 5.346 -12.246 2.653) 13.623 23.603 ( -20.113 38.142 -33.075) 54.344 24.801 ( 19.470 12.095 20.758) 30.923 25.294 ( -5.574 -13.763 -12.520) 19.423 25.677 ( 3.233 -9.454 6.979) 12.187 28.043 ( 0.377 0.304 6.456) 6.474 28.420 ( 0.981 -5.856 2.487) 6.438 ======================= Grid point 176 (94/128) ======================= q-point: (-0.10 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 10.814 13.620 13.491) 22.010 1.775 ( 2.836 -6.172 -10.065) 12.143 1.867 ( -13.053 10.676 15.831) 23.130 2.179 ( -5.705 -0.459 18.906) 19.753 2.343 ( 2.307 21.259 -8.327) 22.948 2.729 ( 7.809 12.586 -10.633) 18.233 2.795 ( -4.767 16.323 -0.148) 17.005 2.855 ( -1.055 3.819 -0.486) 3.992 3.040 ( 2.820 -3.096 -8.544) 9.515 3.206 ( -1.328 34.093 1.357) 34.146 3.322 ( 2.545 -0.845 -8.885) 9.281 3.856 ( 8.496 17.898 -0.334) 19.814 3.903 ( 1.566 5.546 -3.060) 6.524 4.091 ( 4.581 14.528 -5.885) 16.331 4.184 ( 3.000 16.377 -3.059) 16.928 4.335 ( -0.265 5.031 0.379) 5.052 4.671 ( 8.662 3.829 -0.274) 9.475 4.855 ( 1.476 3.650 -5.771) 6.986 5.014 ( -2.515 -2.388 -1.274) 3.694 5.175 ( -11.414 -3.870 3.450) 12.536 5.551 ( -4.072 -11.162 -2.807) 12.209 5.827 ( -9.519 -1.555 -0.079) 9.646 5.916 ( -11.449 8.826 -8.324) 16.681 6.114 ( 3.806 -11.686 4.128) 12.965 6.465 ( -3.180 6.231 8.825) 11.261 6.579 ( 1.158 -2.154 5.158) 5.708 6.805 ( 4.935 -0.800 2.159) 5.446 7.177 ( -9.180 -0.492 1.785) 9.365 7.418 ( -1.302 -1.967 -3.261) 4.024 7.777 ( -0.617 -5.338 1.229) 5.512 8.177 ( -4.117 -6.365 2.840) 8.095 8.215 ( 0.487 -8.607 -0.912) 8.669 8.592 ( 6.922 5.321 2.964) 9.221 8.690 ( -0.417 2.214 -0.945) 2.444 9.054 ( 4.608 6.327 6.889) 10.427 9.265 ( 6.443 -6.582 5.718) 10.841 9.443 ( 6.532 2.016 -0.838) 6.887 9.697 ( -1.408 -5.285 0.091) 5.470 9.771 ( -6.998 8.861 -4.012) 11.983 10.448 ( -10.703 -5.950 3.321) 12.688 10.601 ( -3.729 2.588 -1.538) 4.793 10.683 ( 0.906 -5.321 -3.887) 6.652 10.783 ( 5.417 2.466 3.690) 7.003 11.067 ( 0.221 7.684 -4.815) 9.071 11.161 ( 4.174 -0.397 4.749) 6.335 11.461 ( 2.577 -0.128 -1.672) 3.074 11.646 ( -8.992 2.575 -9.656) 13.443 11.711 ( 2.606 9.035 -0.544) 9.419 11.995 ( 2.184 3.147 0.248) 3.839 12.140 ( 4.025 7.195 0.700) 8.274 12.261 ( 3.139 0.259 -1.692) 3.575 12.671 ( -6.652 -2.950 -1.888) 7.518 13.140 ( 5.706 -5.404 1.442) 7.991 13.279 ( 0.111 -7.299 -0.090) 7.300 13.428 ( -7.954 8.657 5.477) 12.969 13.758 ( 2.081 -12.850 6.451) 14.529 13.936 ( 6.276 -7.818 -2.778) 10.403 14.175 ( -7.536 -9.450 7.679) 14.320 14.400 ( -2.359 0.492 2.425) 3.418 14.721 ( -2.514 -10.205 -4.939) 11.613 15.490 ( -5.094 20.956 -1.003) 21.590 16.319 ( 1.461 10.662 -1.647) 10.887 17.120 ( -1.965 25.423 -1.647) 25.552 17.266 ( 9.473 6.321 -6.374) 13.051 17.576 ( -0.944 -1.525 -3.076) 3.561 18.051 ( 8.194 19.811 5.919) 22.241 18.510 ( 6.309 13.532 -6.423) 16.253 18.746 ( -2.845 -4.321 1.191) 5.309 19.275 ( 13.617 0.569 0.369) 13.634 20.289 ( -10.999 -6.385 1.843) 12.851 20.469 ( -5.825 -2.420 1.333) 6.448 21.017 ( 3.728 -13.301 3.622) 14.280 23.013 ( -32.043 55.065 -40.916) 75.717 25.069 ( -5.184 -16.856 -10.630) 20.591 25.539 ( 38.246 -2.480 23.178) 44.790 25.784 ( 7.324 -4.913 7.650) 11.675 27.993 ( -5.890 1.579 3.387) 6.976 28.434 ( 0.388 -6.614 2.697) 7.153 ======================= Grid point 177 (95/128) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -0.410 11.495 1.976) 11.671 1.690 ( 0.322 -7.936 -5.128) 9.454 1.925 ( 4.609 7.916 21.988) 23.819 2.064 ( 3.987 -6.316 20.554) 21.869 2.651 ( -1.463 7.518 -8.162) 11.193 2.762 ( -2.717 -3.976 -5.209) 7.094 2.895 ( 0.310 4.878 -13.568) 14.421 2.969 ( 2.049 -2.439 -8.670) 9.237 3.247 ( 6.785 10.571 -1.063) 12.607 3.366 ( 6.241 -2.608 -8.059) 10.521 3.892 ( -1.703 29.096 -2.477) 29.251 3.982 ( 2.340 7.272 -8.267) 11.256 4.089 ( 1.530 -3.206 -3.014) 4.659 4.292 ( -0.218 -10.464 -0.358) 10.473 4.474 ( 1.118 21.057 -5.243) 21.728 4.796 ( -3.465 10.969 0.993) 11.546 4.827 ( -5.762 4.872 -0.161) 7.548 4.860 ( 3.138 -9.424 -0.850) 9.969 4.955 ( -1.494 17.452 -0.003) 17.516 5.020 ( 2.045 3.305 -0.858) 3.980 5.199 ( 2.048 -11.554 -3.198) 12.162 5.539 ( -0.616 -19.749 1.230) 19.797 5.891 ( -4.265 4.498 -1.123) 6.300 5.970 ( -0.064 -6.842 1.887) 7.098 6.574 ( -3.044 6.499 7.154) 10.133 6.607 ( -1.325 2.916 6.774) 7.493 6.838 ( 0.872 2.007 1.737) 2.794 6.980 ( -3.740 -5.941 1.456) 7.169 7.440 ( 0.806 4.696 -2.387) 5.329 7.588 ( -0.632 -9.942 0.663) 9.984 8.050 ( 1.865 -3.636 0.107) 4.088 8.059 ( 2.114 -5.311 -1.577) 5.930 8.721 ( 0.156 5.546 0.526) 5.573 8.784 ( 0.137 -0.110 2.453) 2.459 9.280 ( 0.673 -1.123 1.571) 2.045 9.327 ( 4.026 -5.646 3.396) 7.721 9.353 ( -3.505 7.632 9.521) 12.696 9.563 ( 10.865 -10.751 12.715) 19.882 9.872 ( -5.805 11.820 -8.870) 15.877 10.075 ( -7.231 -10.024 -7.480) 14.447 10.575 ( -0.834 3.752 -1.496) 4.124 10.693 ( 2.918 -7.009 0.582) 7.614 10.897 ( 0.685 8.658 3.794) 9.477 11.103 ( 1.904 -10.144 2.930) 10.729 11.279 ( -0.129 9.095 -6.071) 10.935 11.434 ( -4.140 -5.373 -8.288) 10.710 11.629 ( -0.272 8.257 -3.206) 8.862 11.767 ( -0.948 -4.045 -2.792) 5.006 12.152 ( 7.103 5.028 6.445) 10.829 12.270 ( 6.727 -5.412 2.531) 8.997 12.468 ( 0.521 14.078 -1.368) 14.153 12.568 ( -6.113 5.217 -3.528) 8.777 13.010 ( -2.718 -7.597 1.595) 8.225 13.061 ( -3.563 -10.947 -1.889) 11.666 13.495 ( -8.531 12.021 10.349) 18.011 13.681 ( -1.297 -5.293 5.565) 7.789 13.848 ( -1.899 -2.894 1.418) 3.740 13.921 ( 4.439 -7.921 1.314) 9.175 14.438 ( 0.531 2.813 1.438) 3.203 14.522 ( -1.515 -5.764 0.047) 5.960 15.841 ( -0.322 20.264 -1.037) 20.293 16.198 ( 0.723 -16.104 -1.675) 16.207 17.400 ( 3.728 5.421 -6.472) 9.229 17.492 ( 3.680 -3.981 -5.812) 7.948 17.875 ( -1.846 34.211 -1.907) 34.314 18.361 ( 0.844 -13.665 -0.010) 13.691 18.543 ( -2.356 7.706 0.920) 8.110 18.680 ( -1.502 -3.043 1.440) 3.687 19.763 ( 5.054 15.927 0.705) 16.725 20.015 ( -0.907 -6.689 0.025) 6.750 20.405 ( -2.585 9.905 4.154) 11.048 20.730 ( -0.257 -19.572 4.529) 20.091 23.608 ( -11.959 49.529 -22.353) 55.640 24.412 ( -8.097 -34.251 -15.387) 38.411 25.876 ( 7.583 2.347 5.513) 9.665 25.985 ( 13.629 -9.845 9.037) 19.088 28.044 ( -0.252 10.357 1.554) 10.476 28.262 ( 0.348 -11.275 2.098) 11.473 ======================= Grid point 178 (96/128) ======================= q-point: ( 0.10 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -2.320 13.563 0.586) 13.772 1.657 ( -1.110 -9.080 -5.072) 10.460 2.148 ( 12.704 6.579 12.119) 18.750 2.237 ( 9.138 -3.040 8.472) 12.827 2.577 ( -5.502 4.973 -5.783) 9.404 2.681 ( -5.084 -4.367 -2.880) 7.295 2.894 ( 1.449 6.102 -6.408) 8.967 2.999 ( 1.446 -3.757 -4.125) 5.764 3.330 ( 1.792 9.356 -5.301) 10.902 3.435 ( 1.462 -2.231 -11.885) 12.181 3.843 ( -2.471 25.051 -3.300) 25.388 4.020 ( 0.709 3.284 -14.704) 15.083 4.071 ( -1.845 9.360 -4.495) 10.546 4.303 ( 1.742 -9.922 1.590) 10.198 4.456 ( -1.019 11.990 -5.724) 13.325 4.641 ( -9.731 -1.045 2.906) 10.210 4.705 ( -6.185 10.233 3.246) 12.390 4.863 ( -2.055 -6.855 1.678) 7.351 4.955 ( 1.725 25.198 1.609) 25.309 5.164 ( 9.773 -0.220 -2.736) 10.152 5.333 ( 10.119 -7.651 -4.781) 13.557 5.596 ( 5.683 -19.643 0.973) 20.472 5.846 ( -0.363 5.797 2.647) 6.383 5.952 ( -2.157 -7.876 2.143) 8.443 6.516 ( -3.822 7.293 8.861) 12.096 6.576 ( -2.224 1.002 7.027) 7.438 6.863 ( 2.050 4.289 1.017) 4.861 7.013 ( 5.689 -7.554 3.461) 10.070 7.489 ( 4.594 3.119 -2.274) 6.001 7.596 ( 1.691 -7.511 0.961) 7.759 8.116 ( 4.895 -1.931 -0.942) 5.346 8.133 ( 5.261 -5.621 -2.042) 7.965 8.741 ( 0.207 5.913 0.108) 5.917 8.770 ( -0.348 2.486 2.294) 3.401 9.092 ( -13.605 -2.214 6.187) 15.109 9.154 ( -7.590 -9.181 4.123) 12.605 9.580 ( 8.559 10.768 6.969) 15.420 9.705 ( -3.862 3.683 -4.331) 6.873 9.934 ( 13.001 -5.768 5.396) 15.212 9.986 ( -0.472 -8.022 -7.893) 11.264 10.554 ( -1.061 5.101 -2.001) 5.581 10.700 ( -2.562 -8.606 -4.004) 9.832 10.920 ( 2.783 9.722 4.637) 11.125 11.143 ( 1.728 -11.994 4.568) 12.951 11.279 ( 0.392 6.547 -5.367) 8.475 11.380 ( 0.033 -2.314 -5.501) 5.968 11.612 ( -0.508 8.542 -3.169) 9.125 11.762 ( 0.686 -5.348 -2.372) 5.890 12.246 ( 0.769 8.116 0.390) 8.162 12.365 ( -0.653 0.428 -2.039) 2.183 12.463 ( -1.419 13.385 -4.201) 14.101 12.523 ( 6.281 5.109 3.716) 8.909 12.931 ( -4.665 -11.042 5.142) 13.043 12.965 ( -6.552 -12.642 -1.795) 14.352 13.359 ( -5.663 10.608 9.388) 15.256 13.583 ( -6.871 -11.685 7.199) 15.348 13.857 ( 0.604 4.484 1.364) 4.726 13.989 ( 1.720 -8.413 2.926) 9.072 14.453 ( 0.800 1.144 0.329) 1.434 14.510 ( 0.965 -4.437 -0.533) 4.572 15.868 ( 3.218 20.081 -0.509) 20.344 16.233 ( 2.873 -17.392 -1.115) 17.663 17.430 ( 0.656 10.957 -7.059) 13.051 17.570 ( 5.151 -4.347 -7.720) 10.248 17.877 ( 2.303 32.985 -1.908) 33.120 18.353 ( -1.586 -16.755 -0.093) 16.830 18.477 ( -4.782 10.829 3.614) 12.377 18.626 ( -4.313 -3.646 2.838) 6.321 19.612 ( -13.652 25.002 -1.579) 28.530 20.044 ( 0.094 -16.500 -0.418) 16.505 20.463 ( 5.519 10.419 5.769) 13.126 20.750 ( 1.134 -17.245 4.176) 17.780 23.503 ( 2.655 49.408 -9.426) 50.369 24.329 ( 0.731 -35.916 -7.083) 36.615 25.920 ( -3.189 3.351 -1.804) 4.965 26.041 ( -7.152 -9.558 -3.419) 12.418 28.100 ( 4.993 7.888 2.324) 9.621 28.289 ( 1.958 -10.421 1.946) 10.780 ======================= Grid point 179 (97/128) ======================= q-point: ( 0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 6.574 12.912 -8.763) 16.932 1.671 ( 3.176 -7.684 -10.857) 13.675 2.247 ( -5.456 7.608 -9.202) 13.127 2.359 ( 2.063 -3.214 -1.732) 4.194 2.548 ( 4.693 4.574 7.855) 10.230 2.629 ( 3.229 -2.593 3.627) 5.505 2.905 ( -1.966 3.121 -0.459) 3.717 2.981 ( -3.749 -3.677 0.021) 5.252 3.331 ( -0.379 6.701 -9.009) 11.234 3.427 ( -1.101 -3.364 -9.970) 10.580 3.791 ( -2.592 18.482 -4.788) 19.267 3.961 ( -3.774 4.562 -10.989) 12.482 4.031 ( -1.974 18.643 -6.239) 19.758 4.356 ( 2.053 -10.100 0.117) 10.307 4.450 ( 0.274 5.141 -4.676) 6.955 4.510 ( -1.952 -0.185 1.589) 2.524 4.609 ( -4.439 14.902 5.187) 16.391 4.834 ( -0.207 -8.182 2.754) 8.636 4.992 ( 1.294 23.787 2.423) 23.946 5.335 ( 7.260 -7.188 -2.062) 10.422 5.528 ( 10.052 -3.013 -3.921) 11.203 5.709 ( 4.658 -19.542 0.034) 20.090 5.874 ( 2.841 2.137 4.375) 5.637 5.908 ( -1.702 -1.901 3.037) 3.967 6.435 ( -5.317 8.259 8.704) 13.124 6.534 ( -2.973 -1.948 6.534) 7.438 6.940 ( 5.895 9.577 1.088) 11.298 7.153 ( 7.789 -10.342 4.180) 13.606 7.607 ( 7.087 0.930 -1.536) 7.311 7.662 ( 5.272 -3.906 1.545) 6.741 8.225 ( 6.100 -0.145 -1.248) 6.228 8.246 ( 6.401 -3.726 -0.415) 7.418 8.662 ( -6.440 8.067 0.332) 10.328 8.822 ( 2.553 -2.127 -0.575) 3.372 8.872 ( -8.191 1.938 7.298) 11.140 9.068 ( -1.853 -11.621 3.139) 12.179 9.584 ( -6.487 7.079 -5.770) 11.202 9.624 ( -2.716 4.397 1.690) 5.437 10.002 ( 1.254 2.467 -2.187) 3.527 10.135 ( 4.736 -9.575 7.455) 13.027 10.542 ( 0.120 3.578 -3.118) 4.748 10.644 ( -1.109 -5.403 -5.105) 7.516 10.995 ( 2.947 4.909 2.542) 6.265 11.158 ( -0.406 -9.526 1.686) 9.683 11.312 ( 4.387 7.718 -3.091) 9.401 11.414 ( 3.227 -0.768 -1.133) 3.505 11.636 ( 3.254 7.285 -2.294) 8.302 11.791 ( 2.579 -7.249 -2.974) 8.248 12.181 ( -5.190 13.698 -2.797) 14.913 12.330 ( -2.216 2.460 -4.536) 5.616 12.417 ( -2.903 17.054 -2.734) 17.514 12.654 ( 2.476 4.747 2.697) 5.995 12.805 ( -7.181 -16.156 -5.583) 18.541 12.883 ( -2.152 -15.210 8.430) 17.523 13.309 ( -0.251 6.478 6.426) 9.128 13.481 ( -3.610 -10.691 4.840) 12.278 13.853 ( -0.780 5.352 3.989) 6.721 13.996 ( -0.765 -9.074 5.530) 10.653 14.485 ( 2.888 1.326 -0.925) 3.310 14.554 ( 3.287 -5.358 -2.165) 6.648 15.962 ( 6.531 18.291 -0.058) 19.423 16.302 ( 4.496 -16.793 -0.067) 17.385 17.458 ( 3.677 20.134 -8.099) 22.011 17.662 ( 4.475 -1.113 -3.234) 5.632 17.960 ( 6.549 21.928 -4.700) 23.362 18.286 ( -6.303 -4.575 2.249) 8.107 18.391 ( -3.230 3.131 4.347) 6.256 18.522 ( -6.775 -5.004 5.038) 9.814 19.378 ( -9.785 33.070 -1.809) 34.534 20.013 ( -2.231 -27.949 -1.225) 28.064 20.521 ( -0.913 9.634 5.573) 11.168 20.744 ( -2.616 -12.924 2.805) 13.481 23.663 ( 12.821 43.427 1.308) 45.299 24.419 ( 8.104 -33.684 0.633) 34.651 25.734 ( -15.262 4.517 -10.333) 18.976 25.845 ( -9.077 -6.123 -7.380) 13.204 28.182 ( 2.240 4.426 1.867) 5.300 28.321 ( 0.754 -8.622 1.327) 8.756 ======================= Grid point 180 (98/128) ======================= q-point: ( 0.30 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 10.709 7.339 -18.464) 22.572 1.739 ( 4.546 -2.293 -17.053) 17.797 2.146 ( -0.780 9.313 -7.973) 12.284 2.304 ( -3.145 -6.988 -3.041) 8.244 2.699 ( 5.707 5.945 6.942) 10.775 2.740 ( 0.119 1.060 -0.733) 1.294 2.827 ( 1.666 1.091 0.636) 2.091 2.868 ( -6.695 -4.100 -0.236) 7.854 3.275 ( -6.107 5.042 -3.459) 8.642 3.342 ( -8.070 -1.717 -3.462) 8.948 3.767 ( 1.578 11.870 -6.528) 13.638 3.899 ( -1.249 3.291 -9.870) 10.479 4.019 ( 0.989 20.219 -2.492) 20.396 4.345 ( -1.525 -4.887 3.581) 6.247 4.480 ( 0.930 1.781 -7.784) 8.039 4.512 ( -1.891 9.467 1.305) 9.742 4.564 ( 3.095 10.707 2.580) 11.440 4.863 ( 2.387 -13.231 2.765) 13.726 4.992 ( -1.867 20.927 3.960) 21.380 5.412 ( 0.557 -16.171 0.482) 16.187 5.693 ( 6.555 0.329 0.121) 6.564 5.761 ( 1.737 -7.258 -0.663) 7.492 5.922 ( 3.118 0.238 2.325) 3.896 5.957 ( 5.006 -3.906 1.577) 6.542 6.335 ( -5.344 9.005 6.979) 12.584 6.466 ( -4.567 -4.631 5.483) 8.507 7.079 ( 7.921 10.931 1.985) 13.644 7.301 ( 6.828 -10.426 3.942) 13.071 7.719 ( 4.553 1.330 0.738) 4.800 7.798 ( 7.377 -4.294 2.058) 8.781 8.314 ( 1.684 6.214 -0.274) 6.444 8.371 ( 6.197 0.622 2.067) 6.562 8.555 ( -2.673 4.729 -2.013) 5.793 8.720 ( -5.791 -9.889 3.801) 12.074 8.906 ( 3.062 4.786 -1.279) 5.823 9.059 ( 0.203 -7.525 -0.539) 7.547 9.491 ( -2.150 5.078 -1.902) 5.833 9.561 ( -2.335 0.546 1.097) 2.637 9.965 ( -4.533 10.095 1.088) 11.119 10.165 ( -1.373 -9.205 5.843) 10.988 10.553 ( 1.439 2.768 -2.985) 4.318 10.645 ( 0.519 -5.608 -2.948) 6.357 11.013 ( -0.364 3.665 1.845) 4.119 11.150 ( 0.122 -8.797 -0.401) 8.807 11.435 ( 6.621 9.664 0.209) 11.717 11.483 ( 4.027 5.543 -5.416) 8.733 11.704 ( 3.149 4.221 0.367) 5.278 11.843 ( 2.481 -10.269 -5.189) 11.770 12.084 ( -4.787 15.344 0.509) 16.081 12.283 ( -1.236 4.878 -8.989) 10.302 12.368 ( -1.368 9.906 -1.111) 10.062 12.559 ( -7.882 3.718 -5.141) 10.119 12.727 ( -3.464 -9.720 -3.590) 10.926 12.838 ( -3.670 -16.240 6.961) 18.046 13.336 ( 1.559 3.058 5.358) 6.363 13.455 ( -0.047 -9.096 3.889) 9.892 13.864 ( 2.159 4.810 3.904) 6.560 13.999 ( 1.276 -8.834 5.599) 10.536 14.546 ( 2.908 0.821 -1.509) 3.378 14.621 ( 3.574 -6.415 -2.449) 7.741 16.115 ( 9.136 16.151 -0.271) 18.558 16.409 ( 6.327 -14.098 -0.140) 15.453 17.554 ( 6.154 25.429 -5.845) 26.808 17.731 ( 2.985 4.799 3.405) 6.598 18.102 ( 3.527 8.440 -0.669) 9.171 18.140 ( -3.558 2.902 -3.323) 5.668 18.351 ( -2.202 -2.150 3.606) 4.741 18.383 ( -7.873 -4.461 6.055) 10.887 19.230 ( -5.744 37.955 -0.791) 38.395 19.970 ( -2.259 -32.646 -0.740) 32.733 20.458 ( -4.882 8.510 4.116) 10.639 20.655 ( -6.269 -10.946 1.048) 12.658 23.931 ( 12.963 37.089 6.603) 39.840 24.601 ( 9.426 -30.597 5.168) 32.430 25.437 ( -12.352 13.250 -12.409) 21.958 25.690 ( -6.038 -11.944 -7.983) 15.583 28.176 ( -2.759 4.519 0.417) 5.311 28.310 ( -1.976 -8.164 0.233) 8.403 ======================= Grid point 181 (99/128) ======================= q-point: ( 0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 5.185 4.911 -17.541) 18.939 1.839 ( 6.535 -1.534 -20.619) 21.684 2.199 ( 3.250 6.253 -5.594) 8.998 2.304 ( 1.861 -4.586 -4.505) 6.692 2.576 ( -5.685 7.349 -3.505) 9.930 2.705 ( -3.726 -4.410 -3.007) 6.509 2.878 ( 5.125 7.628 1.365) 9.291 2.978 ( 6.529 -0.633 1.259) 6.679 3.109 ( -9.033 0.376 2.761) 9.453 3.124 ( -12.082 -0.834 -3.208) 12.529 3.829 ( 3.900 7.948 -1.195) 8.933 3.884 ( -0.200 6.776 -3.241) 7.514 4.039 ( 0.826 15.270 -3.068) 15.597 4.336 ( 0.206 -3.350 2.390) 4.120 4.380 ( -6.870 14.969 -1.599) 16.547 4.532 ( -0.201 -0.946 -1.913) 2.143 4.672 ( 7.163 10.239 -1.297) 12.564 4.905 ( -1.710 2.143 4.728) 5.465 4.939 ( 0.013 3.711 0.227) 3.718 5.385 ( -2.196 -20.944 2.070) 21.161 5.762 ( 0.235 1.258 5.031) 5.191 5.791 ( 1.120 -1.061 1.870) 2.424 6.012 ( 5.130 -0.347 0.598) 5.177 6.053 ( 4.496 -2.929 0.078) 5.366 6.267 ( -1.456 6.112 3.318) 7.105 6.375 ( -4.997 -4.852 3.708) 7.891 7.229 ( 7.032 9.219 1.971) 11.761 7.414 ( 4.513 -8.344 2.738) 9.874 7.783 ( 1.819 3.431 2.700) 4.729 7.902 ( 2.651 -6.348 4.949) 8.474 8.268 ( -4.904 14.333 1.734) 15.247 8.463 ( 1.807 0.540 4.354) 4.745 8.585 ( 4.505 0.637 -4.750) 6.578 8.651 ( -0.994 -9.116 -0.860) 9.211 8.927 ( -0.043 2.722 -4.141) 4.956 9.058 ( -0.862 -7.210 -4.518) 8.552 9.493 ( 2.370 6.426 2.386) 7.253 9.585 ( 4.283 0.859 3.412) 5.543 9.873 ( -3.916 11.172 1.297) 11.909 10.105 ( -4.907 -10.132 3.179) 11.697 10.589 ( 2.219 0.663 -0.920) 2.492 10.645 ( -0.145 -4.427 -0.490) 4.456 11.014 ( 0.627 5.804 2.622) 6.399 11.176 ( 2.624 -9.438 0.189) 9.798 11.501 ( 0.044 14.241 -0.150) 14.242 11.553 ( 3.079 6.883 -8.722) 11.529 11.743 ( 0.641 4.630 -2.174) 5.155 11.865 ( 1.065 -9.378 -6.468) 11.442 12.007 ( -2.776 11.793 -0.044) 12.115 12.231 ( -4.779 -5.536 -0.257) 7.318 12.405 ( 5.160 13.627 -6.323) 15.884 12.453 ( -1.794 3.526 -7.258) 8.266 12.605 ( -8.803 -5.075 -0.625) 10.181 12.784 ( -1.064 -16.022 0.167) 16.058 13.357 ( 0.049 1.334 7.166) 7.289 13.459 ( -0.314 -8.700 4.536) 9.817 13.939 ( 4.908 4.400 0.984) 6.665 14.059 ( 4.165 -7.777 3.167) 9.374 14.584 ( 1.156 0.655 -1.884) 2.305 14.671 ( 1.470 -8.047 -2.311) 8.500 16.295 ( 8.709 13.586 -0.686) 16.153 16.515 ( 3.668 -8.805 -0.542) 9.554 17.647 ( 2.908 24.899 2.542) 25.197 17.802 ( 3.345 1.511 5.981) 7.018 17.958 ( -7.191 12.983 2.843) 15.111 18.214 ( -6.162 -8.350 -0.473) 10.388 18.273 ( -1.615 3.751 4.513) 6.087 18.328 ( 4.985 -2.794 -5.676) 8.054 19.152 ( -2.454 41.118 0.779) 41.198 19.923 ( -2.325 -30.215 0.176) 30.305 20.383 ( -2.459 2.799 2.679) 4.589 20.534 ( -5.614 -9.248 -0.054) 10.819 24.125 ( 6.237 34.125 6.011) 35.207 24.753 ( 5.555 -28.806 5.524) 29.852 25.281 ( -3.042 17.630 -8.954) 20.006 25.612 ( -1.571 -15.561 -6.538) 16.952 28.098 ( -4.563 6.304 -0.696) 7.814 28.256 ( -3.091 -8.880 -0.569) 9.420 ======================= Grid point 182 (100/128) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 3.268 3.948 -15.318) 16.153 1.910 ( 1.925 -1.241 -20.286) 20.415 2.202 ( -0.788 1.259 -6.072) 6.251 2.216 ( -6.511 0.316 -7.519) 9.951 2.596 ( 0.718 7.421 -4.503) 8.710 2.732 ( 3.984 -5.771 -2.046) 7.305 2.841 ( -8.211 6.683 -0.363) 10.593 2.944 ( -3.989 -3.697 1.338) 5.602 2.971 ( 4.346 11.186 -1.872) 12.146 3.167 ( 6.280 -8.463 2.558) 10.845 3.868 ( -0.372 14.655 0.796) 14.681 3.890 ( 0.962 3.082 2.146) 3.877 4.044 ( -0.051 14.290 -3.961) 14.829 4.241 ( -6.827 14.932 0.421) 16.424 4.353 ( 1.173 -4.547 0.500) 4.722 4.458 ( -7.112 -6.965 0.831) 9.989 4.783 ( 0.451 13.229 0.432) 13.244 4.850 ( 1.797 23.023 2.081) 23.186 5.008 ( 4.978 -12.083 -3.404) 13.504 5.369 ( 0.823 -21.404 1.648) 21.483 5.722 ( -4.610 2.660 7.448) 9.155 5.786 ( -2.401 -3.008 5.426) 6.652 6.078 ( 1.323 -0.926 0.092) 1.618 6.125 ( 2.693 -3.074 -0.564) 4.126 6.293 ( 2.430 0.641 1.989) 3.205 6.307 ( -0.240 -0.350 1.243) 1.313 7.335 ( 3.414 7.520 0.441) 8.271 7.479 ( 2.228 -5.048 1.009) 5.609 7.788 ( -1.723 3.599 4.772) 6.221 7.911 ( -2.094 -6.096 7.676) 10.023 8.184 ( -3.088 16.725 1.997) 17.124 8.443 ( -2.959 -3.991 4.790) 6.902 8.648 ( -0.473 -4.159 -3.386) 5.384 8.661 ( 1.979 -0.387 -5.007) 5.398 8.935 ( 1.367 -1.671 -4.222) 4.742 9.017 ( -1.616 -7.152 -5.210) 8.994 9.576 ( 3.239 12.712 3.424) 13.557 9.645 ( 1.777 11.932 3.413) 12.537 9.877 ( 3.536 -3.191 -0.822) 4.834 10.017 ( -1.759 -10.034 2.764) 10.555 10.624 ( 1.046 -1.495 0.015) 1.825 10.650 ( 0.848 -3.505 -0.138) 3.609 11.040 ( 1.634 8.844 3.397) 9.614 11.237 ( 2.701 -9.412 2.404) 10.083 11.432 ( -5.685 14.408 -2.847) 15.748 11.579 ( -1.045 2.105 -8.873) 9.179 11.736 ( 0.744 5.864 -8.350) 10.231 11.904 ( 2.741 -6.593 -3.578) 7.987 11.967 ( -1.031 13.576 -2.052) 13.769 12.161 ( -2.053 0.100 1.621) 2.617 12.348 ( -7.707 0.842 0.621) 7.778 12.438 ( -5.790 -11.616 -1.321) 13.046 12.572 ( 8.880 11.227 -7.634) 16.223 12.818 ( 4.626 -12.180 -4.623) 13.825 13.358 ( -0.410 0.281 7.892) 7.908 13.450 ( -0.955 -8.475 4.879) 9.825 14.032 ( 4.278 4.490 -1.792) 6.455 14.144 ( 4.024 -6.923 0.728) 8.040 14.591 ( -0.112 -0.231 -2.092) 2.108 14.670 ( -1.190 -8.181 -1.892) 8.481 16.393 ( -0.187 10.552 -0.794) 10.583 16.536 ( -0.679 -3.822 -0.158) 3.885 17.628 ( -7.146 24.375 8.485) 26.781 17.781 ( -3.662 -0.466 10.452) 11.085 17.949 ( 2.373 5.194 0.157) 5.713 18.087 ( -3.282 -5.459 0.834) 6.424 18.231 ( -0.627 13.982 0.940) 14.027 18.467 ( 7.165 -8.640 -6.946) 13.200 19.130 ( -0.097 42.545 1.368) 42.567 19.895 ( -0.323 -26.348 0.661) 26.359 20.372 ( 0.869 -3.420 1.827) 3.974 20.465 ( -1.001 -7.291 -0.034) 7.360 24.201 ( 2.342 34.638 3.878) 34.933 24.835 ( 3.147 -28.499 3.967) 28.946 25.259 ( -0.237 17.289 -6.395) 18.435 25.592 ( -1.008 -15.805 -5.296) 16.699 28.026 ( -2.364 7.889 -0.269) 8.240 28.208 ( -1.485 -9.795 -0.336) 9.913 ======================= Grid point 183 (101/128) ======================= q-point: (-0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -9.864 5.804 -18.136) 21.445 1.852 ( -5.582 -2.259 -21.297) 22.132 2.155 ( -0.294 6.648 -7.740) 10.207 2.250 ( 6.086 -3.137 -4.678) 8.292 2.563 ( -1.568 2.692 -2.390) 3.926 2.624 ( -5.107 -3.344 0.601) 6.134 2.824 ( -2.797 5.917 2.172) 6.895 2.928 ( 0.301 -4.250 3.101) 5.270 3.150 ( 12.170 8.768 -1.725) 15.098 3.277 ( 5.216 -4.534 2.064) 7.213 3.823 ( -3.891 9.913 -2.391) 10.914 3.896 ( -1.847 2.662 -2.870) 4.328 3.998 ( -3.881 21.235 -8.106) 23.058 4.152 ( -2.658 8.328 7.108) 11.267 4.319 ( -3.992 -2.932 9.393) 10.619 4.391 ( 1.973 -7.496 -2.704) 8.210 4.750 ( -1.363 25.097 -1.300) 25.168 4.912 ( 2.319 7.137 0.870) 7.555 5.110 ( 4.951 -3.389 -4.640) 7.585 5.400 ( 0.690 -14.336 2.012) 14.493 5.625 ( -4.600 -2.680 7.687) 9.351 5.705 ( -6.363 -6.159 6.638) 11.067 6.078 ( -0.934 -1.187 -2.774) 3.159 6.141 ( -0.270 -7.200 -2.479) 7.619 6.341 ( 4.417 3.819 1.845) 6.123 6.383 ( 4.598 -0.637 4.324) 6.343 7.346 ( -2.367 9.812 -2.407) 10.376 7.502 ( -0.093 -3.128 -0.322) 3.146 7.733 ( -4.091 1.748 5.387) 6.986 7.839 ( -5.898 -4.748 8.820) 11.624 8.169 ( 0.909 15.730 2.721) 15.989 8.382 ( -3.685 -1.140 4.210) 5.710 8.601 ( -5.733 -2.139 -2.574) 6.638 8.637 ( -1.176 -9.800 -2.156) 10.103 8.960 ( 1.228 -1.506 -3.192) 3.737 9.017 ( 1.470 -5.565 -2.403) 6.238 9.530 ( -4.567 14.819 0.140) 15.507 9.734 ( 1.117 0.877 0.351) 1.463 9.897 ( 4.799 8.068 -0.774) 9.420 10.155 ( 11.920 -10.762 2.408) 16.239 10.627 ( -0.716 -1.584 -1.279) 2.158 10.663 ( 0.186 -4.481 -1.030) 4.602 11.077 ( 1.623 10.451 2.971) 10.986 11.195 ( -7.673 5.290 -1.262) 9.405 11.391 ( 2.159 -3.682 -0.334) 4.282 11.478 ( -7.157 -4.569 -7.053) 11.038 11.774 ( 2.344 9.224 -6.379) 11.458 11.903 ( -1.216 1.590 -2.288) 3.040 12.013 ( 2.780 9.744 0.308) 10.137 12.088 ( -5.116 13.485 -0.517) 14.432 12.219 ( -3.423 -6.929 1.574) 7.888 12.420 ( 3.865 -18.345 -2.715) 18.943 12.723 ( 7.042 10.713 -5.770) 14.059 12.938 ( 7.958 -10.338 -5.231) 14.056 13.357 ( -0.312 -0.621 6.849) 6.884 13.430 ( -1.409 -7.906 4.402) 9.158 14.087 ( 1.286 5.226 -2.643) 5.995 14.203 ( 1.836 -6.670 -0.634) 6.947 14.579 ( -0.952 -1.879 -2.076) 2.958 14.630 ( -2.653 -6.708 -1.476) 7.364 16.290 ( -8.533 12.881 -0.581) 15.461 16.497 ( -3.856 -7.939 -0.039) 8.826 17.439 ( -11.071 22.067 8.180) 26.008 17.662 ( -9.848 -4.675 12.070) 16.265 17.974 ( 2.314 9.098 -0.093) 9.388 18.135 ( 4.662 -0.755 0.017) 4.723 18.281 ( 5.744 13.868 -0.038) 15.010 18.573 ( 4.263 -10.339 -4.868) 12.197 19.142 ( 1.162 42.476 0.774) 42.499 19.911 ( 1.597 -28.305 0.549) 28.355 20.412 ( 3.135 -1.616 1.831) 3.974 20.501 ( 4.264 -7.389 1.056) 8.596 24.263 ( 4.448 35.507 3.514) 35.956 24.902 ( 3.799 -28.001 2.404) 28.359 25.209 ( -4.955 16.719 -8.143) 19.245 25.534 ( -4.830 -15.415 -5.969) 17.221 28.018 ( 1.424 8.150 1.853) 8.478 28.205 ( 1.062 -10.054 1.002) 10.160 ======================= Grid point 184 (102/128) ======================= q-point: (-0.30 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -12.668 11.263 -13.600) 21.732 1.702 ( -7.351 -6.970 -16.810) 19.626 2.173 ( 3.631 10.573 -11.924) 16.345 2.356 ( 3.659 -7.368 -4.428) 9.343 2.530 ( -4.553 3.177 5.490) 7.807 2.595 ( 2.205 -3.701 -0.264) 4.316 2.791 ( 1.422 7.415 1.475) 7.693 2.931 ( 0.402 -6.800 2.453) 7.240 3.274 ( -2.628 8.213 1.538) 8.759 3.349 ( 0.327 0.136 5.134) 5.146 3.771 ( 1.107 4.304 -7.090) 8.367 3.809 ( -2.210 -0.659 -14.059) 14.247 3.942 ( -1.293 26.748 -1.867) 26.844 4.149 ( 1.378 4.635 8.461) 9.745 4.345 ( 4.930 0.572 6.591) 8.250 4.425 ( 1.164 -6.651 -1.739) 6.973 4.746 ( 1.101 28.175 -1.803) 28.255 4.948 ( 1.719 0.226 -1.711) 2.435 5.141 ( -2.106 8.562 -3.797) 9.600 5.352 ( -4.945 -3.977 4.517) 7.789 5.561 ( -7.803 -9.610 4.942) 13.329 5.621 ( 1.864 -18.348 3.907) 18.851 6.046 ( -2.031 0.585 -2.803) 3.510 6.120 ( -1.663 -6.784 -2.885) 7.557 6.439 ( 4.990 2.718 3.746) 6.806 6.479 ( 4.897 -1.019 4.931) 7.024 7.244 ( -7.725 15.180 -4.519) 17.622 7.462 ( -4.189 -2.765 -1.211) 5.163 7.642 ( -6.051 0.466 4.761) 7.714 7.725 ( -5.629 -4.278 5.985) 9.263 8.174 ( -1.961 6.326 4.453) 7.981 8.307 ( -5.577 -3.601 4.842) 8.217 8.487 ( -2.104 3.852 -0.802) 4.462 8.650 ( 2.413 -10.514 1.341) 10.871 8.956 ( -1.348 2.529 -0.249) 2.876 9.061 ( 2.724 -7.910 -0.586) 8.387 9.455 ( -2.737 12.836 -0.402) 13.130 9.674 ( -4.306 -9.141 -3.194) 10.598 10.078 ( 10.325 20.370 -0.606) 22.845 10.386 ( 10.897 -10.334 -0.841) 15.042 10.585 ( -3.311 -0.702 -2.329) 4.109 10.657 ( -0.606 -6.530 -3.508) 7.438 11.018 ( -9.680 7.157 0.638) 12.055 11.083 ( -2.364 2.944 0.500) 3.808 11.328 ( -4.758 0.747 -3.286) 5.830 11.452 ( 1.543 -5.445 1.479) 5.850 11.787 ( -0.206 5.521 -3.526) 6.554 11.883 ( -0.429 12.021 0.078) 12.029 11.934 ( -5.407 -0.935 -3.005) 6.256 12.121 ( 2.424 1.785 5.905) 6.628 12.215 ( 3.576 5.819 -4.051) 7.941 12.545 ( 7.959 -18.047 -0.886) 19.744 12.832 ( 5.004 13.518 -5.670) 15.490 13.099 ( 8.183 -12.882 -4.742) 15.981 13.362 ( 0.864 -0.416 3.699) 3.822 13.418 ( 0.485 -7.066 4.452) 8.366 14.068 ( -3.190 6.529 -0.790) 7.310 14.205 ( -1.781 -7.249 0.524) 7.483 14.540 ( -3.204 -1.655 -1.120) 3.776 14.585 ( -1.267 -6.086 -3.257) 7.018 16.119 ( -8.411 15.717 -0.568) 17.835 16.396 ( -6.005 -12.256 0.019) 13.648 17.271 ( -5.956 17.720 5.459) 19.475 17.483 ( -8.462 -5.575 8.528) 13.245 18.018 ( 1.211 19.061 -0.970) 19.124 18.215 ( 3.848 8.739 0.925) 9.593 18.419 ( 7.361 0.711 -0.173) 7.397 18.629 ( 2.293 -10.339 -2.691) 10.927 19.183 ( 3.388 39.701 0.208) 39.846 19.942 ( 1.323 -32.232 0.062) 32.259 20.495 ( 4.912 2.914 2.891) 6.401 20.607 ( 5.987 -8.012 2.729) 10.367 24.374 ( 5.601 34.766 -2.506) 35.304 24.979 ( 3.109 -25.662 -3.647) 26.106 25.068 ( -7.253 18.063 -5.736) 20.292 25.416 ( -5.313 -16.506 -2.322) 17.495 28.068 ( 2.811 7.148 3.948) 8.636 28.239 ( 1.899 -9.544 2.457) 10.037 ======================= Grid point 185 (103/128) ======================= q-point: (-0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -4.117 14.682 -3.020) 15.544 1.585 ( -2.397 -10.660 -8.783) 14.019 2.209 ( -3.974 5.302 0.693) 6.662 2.296 ( -9.350 -3.415 10.922) 14.777 2.511 ( 6.373 11.925 -9.143) 16.322 2.693 ( 7.745 -7.393 -9.758) 14.486 2.847 ( 1.897 5.044 2.241) 5.836 2.944 ( -0.436 -5.461 3.489) 6.496 3.146 ( -6.334 9.075 -2.720) 11.396 3.268 ( -4.638 -3.738 -3.063) 6.698 3.836 ( 4.198 8.979 -0.188) 9.913 3.873 ( 7.070 1.784 -5.049) 8.869 3.940 ( 1.311 22.235 -4.623) 22.748 4.202 ( 3.708 3.662 3.831) 6.468 4.424 ( -0.422 0.964 -4.010) 4.146 4.493 ( 9.210 -1.486 1.475) 9.445 4.778 ( 1.961 24.792 -2.037) 24.953 4.969 ( 0.255 -0.059 -3.701) 3.710 5.056 ( -4.844 13.727 -1.419) 14.626 5.244 ( -6.783 -4.588 3.788) 9.022 5.410 ( -7.751 -10.077 1.191) 12.768 5.653 ( -0.242 -25.534 2.797) 25.688 5.998 ( -2.521 2.832 -0.795) 3.874 6.072 ( -3.170 -4.464 -2.260) 5.923 6.528 ( 3.691 2.102 5.091) 6.630 6.571 ( 3.910 -1.434 4.746) 6.314 7.055 ( -10.748 18.422 -4.004) 21.701 7.332 ( -9.282 -6.110 -1.680) 11.239 7.526 ( -5.321 4.484 2.407) 7.363 7.647 ( -2.996 -7.622 2.642) 8.605 8.110 ( -4.107 -2.570 2.934) 5.665 8.167 ( -7.504 -6.077 4.408) 10.615 8.560 ( 7.570 8.794 3.027) 11.992 8.723 ( 3.893 -6.374 2.576) 7.901 8.941 ( 1.449 5.042 3.390) 6.246 9.095 ( 0.530 -9.924 1.799) 10.100 9.437 ( 0.828 8.506 -0.278) 8.551 9.605 ( -2.495 -8.483 -1.630) 8.991 10.190 ( -0.938 20.250 -5.454) 20.993 10.500 ( -3.800 -9.901 0.811) 10.636 10.554 ( 3.499 -1.337 -2.933) 4.758 10.606 ( -3.795 -7.239 -8.318) 11.662 10.871 ( -4.160 7.002 4.499) 9.305 11.012 ( -1.945 -6.155 5.020) 8.177 11.304 ( 0.887 11.283 -2.562) 11.604 11.461 ( 0.143 -0.548 -2.030) 2.108 11.767 ( -2.627 -1.687 -4.573) 5.537 11.839 ( -3.639 -6.126 -3.653) 8.007 11.906 ( 3.135 13.832 3.687) 14.654 12.150 ( 0.916 -9.069 4.590) 10.206 12.321 ( 6.298 18.112 -1.598) 19.242 12.672 ( 3.833 -15.012 1.478) 15.564 12.917 ( 4.754 11.087 -6.077) 13.507 13.175 ( -0.420 -12.269 -3.325) 12.718 13.443 ( 7.083 -0.983 0.489) 7.168 13.486 ( 6.662 -5.484 3.856) 9.451 13.965 ( -7.207 7.231 2.415) 10.491 14.129 ( -6.336 -8.928 3.950) 11.638 14.476 ( -2.797 1.867 -1.118) 3.543 14.566 ( -0.665 -7.407 -3.759) 8.333 15.978 ( -6.182 17.619 -0.666) 18.684 16.287 ( -5.014 -13.400 0.234) 14.309 17.240 ( 2.210 10.565 0.637) 10.813 17.383 ( -1.888 -3.788 2.721) 5.032 18.003 ( -2.374 26.719 -2.665) 26.956 18.282 ( 2.790 6.499 2.786) 7.602 18.529 ( 3.899 -1.231 -2.306) 4.694 18.666 ( 1.619 -8.097 0.092) 8.258 19.295 ( 8.751 32.922 0.316) 34.067 19.968 ( 1.736 -30.787 -0.025) 30.836 20.571 ( 1.477 4.771 3.926) 6.353 20.708 ( 3.592 -9.366 4.123) 10.846 24.326 ( -12.126 34.969 -26.789) 45.690 24.893 ( -9.895 -21.279 -17.241) 29.120 25.124 ( 14.282 13.698 13.830) 24.143 25.435 ( 7.861 -15.343 11.008) 20.454 28.107 ( 0.425 6.406 4.193) 7.668 28.268 ( 0.601 -9.209 2.972) 9.696 ======================= Grid point 186 (104/128) ======================= q-point: (-0.10 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 7.580 13.321 4.189) 15.889 1.615 ( 5.322 -10.292 -4.391) 12.390 2.019 ( -12.355 6.362 17.925) 22.681 2.121 ( -9.214 -4.284 18.279) 20.913 2.651 ( 4.312 10.225 -13.630) 17.576 2.793 ( 1.216 -4.834 -8.924) 10.221 2.863 ( 2.488 4.238 -7.537) 8.998 2.931 ( 1.550 -3.258 -5.593) 6.655 3.126 ( 3.946 10.205 -0.839) 10.973 3.261 ( 3.865 -4.239 -5.534) 7.971 3.890 ( 1.463 24.546 3.414) 24.826 3.962 ( 1.242 9.272 -7.636) 12.076 4.010 ( 6.206 -2.130 -0.049) 6.561 4.281 ( 2.712 -5.157 -0.427) 5.842 4.424 ( 2.278 17.653 -6.246) 18.863 4.687 ( 10.327 -2.562 -1.568) 10.755 4.809 ( 1.410 17.856 -2.293) 18.058 4.943 ( -3.157 -3.576 -3.333) 5.819 4.975 ( -3.074 17.225 -0.160) 17.497 5.110 ( -7.006 -1.783 2.567) 7.671 5.266 ( -6.881 -10.864 -0.822) 12.886 5.602 ( -4.534 -24.324 1.614) 24.796 5.968 ( -0.435 -0.344 1.385) 1.491 5.990 ( -5.092 -0.537 -2.420) 5.663 6.585 ( 1.533 2.321 5.635) 6.284 6.620 ( 0.251 1.513 5.661) 5.866 6.875 ( -6.161 13.153 -0.685) 14.540 7.130 ( -10.420 -8.002 -0.527) 13.149 7.455 ( -2.160 5.541 -0.925) 6.019 7.608 ( -1.439 -9.720 1.037) 9.880 8.047 ( -1.895 -4.496 0.663) 4.924 8.068 ( -2.913 -5.198 2.233) 6.363 8.710 ( 4.776 5.922 2.976) 8.169 8.752 ( 0.589 2.166 1.147) 2.521 9.085 ( 11.354 -0.857 7.172) 13.457 9.134 ( 6.600 -6.083 4.929) 10.240 9.453 ( -0.820 2.666 1.935) 3.395 9.554 ( -3.664 -7.134 3.120) 8.605 10.048 ( -10.363 14.372 -7.912) 19.405 10.284 ( -13.562 -10.350 -4.178) 17.565 10.587 ( -0.038 -0.855 -2.494) 2.636 10.623 ( 3.715 -3.207 0.625) 4.947 10.862 ( 1.747 8.039 4.738) 9.493 11.049 ( 3.472 -9.041 3.057) 10.155 11.300 ( -1.035 12.408 -6.229) 13.923 11.478 ( 1.024 -2.599 -3.126) 4.192 11.671 ( -4.839 3.327 -6.475) 8.741 11.796 ( -1.552 -5.092 -2.765) 5.999 12.008 ( 6.619 6.907 5.711) 11.142 12.181 ( 2.400 -7.747 4.418) 9.235 12.425 ( 4.111 17.237 -0.694) 17.734 12.672 ( -3.464 -3.717 -1.063) 5.190 13.000 ( 3.410 -1.583 -2.790) 4.682 13.129 ( -3.217 -9.901 -2.558) 10.720 13.573 ( 4.233 4.239 2.442) 6.469 13.623 ( 4.196 -1.913 5.118) 6.889 13.845 ( -2.222 1.252 1.312) 2.868 13.983 ( -8.473 -10.032 6.152) 14.501 14.440 ( -0.940 3.809 0.451) 3.949 14.548 ( -1.042 -7.441 -1.986) 7.772 15.881 ( -3.684 19.247 -0.922) 19.618 16.214 ( -2.355 -14.416 -0.680) 14.623 17.317 ( 4.789 5.857 -3.435) 8.309 17.415 ( 4.329 -3.577 -3.032) 6.382 17.937 ( -3.790 30.899 -2.767) 31.253 18.329 ( 2.027 -1.855 1.808) 3.290 18.566 ( 0.204 1.398 -1.744) 2.245 18.687 ( 0.449 -4.018 1.309) 4.250 19.522 ( 14.268 24.303 0.943) 28.198 20.012 ( 2.314 -22.059 0.246) 22.182 20.524 ( -6.596 7.806 3.909) 10.942 20.742 ( -0.330 -13.964 4.577) 14.698 23.957 ( -20.038 42.378 -31.213) 56.317 24.640 ( -12.961 -28.528 -20.501) 37.445 25.554 ( 24.926 4.029 17.865) 30.931 25.667 ( 13.342 -6.729 11.669) 18.959 28.084 ( -2.740 7.828 2.568) 8.682 28.267 ( -0.672 -10.079 2.547) 10.417 ======================= Grid point 217 (105/128) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -0.000 0.000 0.000) 0.000 1.180 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.730 ( 0.000 0.000 0.000) 0.000 2.136 ( -0.000 0.000 0.000) 0.000 2.293 ( -0.000 0.000 0.000) 0.000 2.534 ( -0.000 0.000 0.000) 0.000 2.702 ( -0.000 0.000 0.000) 0.000 2.729 ( -0.000 0.000 0.000) 0.000 2.778 ( -0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.403 ( -0.000 0.000 0.000) 0.000 3.680 ( -0.000 0.000 0.000) 0.000 3.878 ( -0.000 0.000 0.000) 0.000 3.962 ( -0.000 0.000 0.000) 0.000 4.294 ( -0.000 0.000 0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 4.701 ( -0.000 0.000 0.000) 0.000 4.936 ( -0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.281 ( -0.000 0.000 0.000) 0.000 5.719 ( 0.000 0.000 0.000) 0.000 5.782 ( -0.000 0.000 -0.000) 0.000 6.565 ( -0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.911 ( -0.000 0.000 -0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.676 ( -0.000 0.000 0.000) 0.000 7.867 ( -0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.687 ( -0.000 0.000 0.000) 0.000 8.901 ( 0.000 0.000 0.000) 0.000 9.188 ( -0.000 0.000 0.000) 0.000 9.474 ( 0.000 0.000 0.000) 0.000 9.833 ( 0.000 0.000 0.000) 0.000 10.235 ( -0.000 0.000 -0.000) 0.000 10.336 ( 0.000 0.000 0.000) 0.000 10.650 ( 0.000 0.000 0.000) 0.000 10.704 ( 0.000 0.000 0.000) 0.000 10.869 ( -0.000 0.000 0.000) 0.000 10.870 ( -0.000 0.000 0.000) 0.000 10.998 ( -0.000 0.000 0.000) 0.000 11.188 ( -0.000 0.000 0.000) 0.000 11.496 ( -0.000 0.000 0.000) 0.000 11.677 ( 0.000 0.000 0.000) 0.000 11.782 ( -0.000 0.000 0.000) 0.000 12.014 ( 0.000 0.000 0.000) 0.000 12.542 ( -0.000 0.000 -0.000) 0.000 12.611 ( 0.000 0.000 0.000) 0.000 13.037 ( -0.000 0.000 0.000) 0.000 13.148 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 0.000) 0.000 14.171 ( 0.000 0.000 0.000) 0.000 14.193 ( -0.000 0.000 0.000) 0.000 14.362 ( -0.000 0.000 0.000) 0.000 14.515 ( -0.000 0.000 0.000) 0.000 14.584 ( -0.000 0.000 0.000) 0.000 14.941 ( -0.000 0.000 0.000) 0.000 15.828 ( -0.000 0.000 0.000) 0.000 16.409 ( -0.000 0.000 0.000) 0.000 17.414 ( -0.000 0.000 0.000) 0.000 17.725 ( 0.000 0.000 0.000) 0.000 17.980 ( -0.000 0.000 0.000) 0.000 18.189 ( -0.000 0.000 0.000) 0.000 18.801 ( 0.000 0.000 0.000) 0.000 19.344 ( 0.000 0.000 -0.000) 0.000 19.489 ( -0.000 0.000 0.000) 0.000 20.533 ( 0.000 0.000 0.000) 0.000 20.814 ( 0.000 0.000 0.000) 0.000 21.349 ( -0.000 0.000 0.000) 0.000 25.273 ( 0.000 0.000 0.000) 0.000 25.889 ( 0.000 0.000 0.000) 0.000 26.962 ( 0.000 0.000 0.000) 0.000 27.842 ( -0.000 0.000 0.000) 0.000 28.585 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 219 (106/128) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.234 0.000 -0.257) 0.347 1.130 ( -16.217 0.000 5.763) 17.210 1.214 ( 3.806 0.000 -2.103) 4.349 1.757 ( 1.894 0.000 -2.045) 2.787 2.098 ( -17.800 0.000 -2.225) 17.938 2.146 ( 0.953 0.000 1.726) 1.971 2.630 ( 7.840 0.000 -9.575) 12.375 2.756 ( 3.597 0.000 16.157) 16.553 2.808 ( 5.582 0.000 -24.018) 24.659 2.859 ( 13.661 0.000 3.557) 14.117 3.337 ( 1.327 0.000 -5.400) 5.560 3.403 ( 0.218 0.000 -1.043) 1.066 3.651 ( 1.469 0.000 5.316) 5.516 3.843 ( -3.029 0.000 -2.269) 3.784 3.877 ( -10.938 0.000 2.638) 11.252 4.367 ( 6.766 0.000 6.202) 9.178 4.400 ( -15.067 0.000 -4.789) 15.810 4.618 ( -6.137 0.000 -1.931) 6.434 5.034 ( 0.361 0.000 3.055) 3.076 5.157 ( 13.773 0.000 9.133) 16.526 5.385 ( 9.943 0.000 -5.541) 11.383 5.770 ( 2.310 0.000 -3.518) 4.209 5.879 ( 9.832 0.000 4.001) 10.615 6.505 ( -5.318 0.000 -1.572) 5.546 6.553 ( -3.078 0.000 1.380) 3.373 6.833 ( -3.954 0.000 -1.363) 4.182 6.973 ( 0.901 0.000 0.397) 0.985 7.186 ( 6.047 0.000 6.236) 8.686 7.723 ( -11.970 0.000 4.335) 12.731 7.730 ( 6.201 0.000 -10.769) 12.427 7.937 ( -2.474 0.000 4.920) 5.507 8.030 ( 1.841 0.000 2.037) 2.745 8.560 ( -5.103 0.000 -2.257) 5.580 8.667 ( -5.769 0.000 -0.786) 5.823 8.881 ( 4.147 0.000 -0.343) 4.161 9.277 ( 2.754 0.000 -0.937) 2.909 9.435 ( -4.636 0.000 2.023) 5.058 9.757 ( -5.810 0.000 -0.130) 5.812 10.048 ( -7.757 0.000 -13.204) 15.313 10.468 ( -1.615 0.000 5.115) 5.364 10.647 ( 4.980 0.000 3.777) 6.250 10.650 ( 0.578 0.000 -17.563) 17.573 10.832 ( -3.474 0.000 2.394) 4.219 10.940 ( 2.240 0.000 4.742) 5.244 11.064 ( 9.624 0.000 6.973) 11.885 11.324 ( 8.579 0.000 3.357) 9.212 11.481 ( -1.802 0.000 5.513) 5.800 11.575 ( -8.251 0.000 0.304) 8.257 11.818 ( 0.850 0.000 -3.451) 3.554 11.923 ( -4.417 0.000 -2.485) 5.068 12.396 ( -5.231 0.000 -1.450) 5.429 12.838 ( -13.182 0.000 6.526) 14.709 12.948 ( 20.166 0.000 3.342) 20.441 13.320 ( 10.161 0.000 -2.583) 10.484 13.640 ( -11.473 0.000 -2.411) 11.723 14.074 ( -7.952 0.000 2.125) 8.231 14.205 ( -0.195 0.000 -1.645) 1.656 14.522 ( 1.023 0.000 8.349) 8.412 14.536 ( 12.618 0.000 -4.043) 13.250 14.628 ( 4.715 0.000 -6.975) 8.419 14.952 ( 2.587 0.000 1.155) 2.833 15.623 ( -21.067 0.000 13.607) 25.079 16.465 ( 5.350 0.000 -4.793) 7.184 17.326 ( -32.369 0.000 13.714) 35.155 17.440 ( 3.110 0.000 -4.728) 5.660 17.730 ( 0.569 0.000 -0.162) 0.592 18.141 ( -4.775 0.000 -0.736) 4.832 18.780 ( -2.262 0.000 4.444) 4.987 19.349 ( -6.655 0.000 2.054) 6.965 20.283 ( 36.610 0.000 5.130) 36.967 20.573 ( 3.856 0.000 0.166) 3.859 21.031 ( 37.341 0.000 5.226) 37.705 21.312 ( -3.580 0.000 -0.823) 3.673 25.299 ( 2.511 0.000 3.603) 4.392 25.889 ( 0.124 0.000 -1.430) 1.435 26.259 ( -52.665 0.000 -23.368) 57.617 28.151 ( 16.395 0.000 -5.827) 17.400 28.575 ( -1.096 0.000 -0.871) 1.400 ======================= Grid point 220 (107/128) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -7.382 0.000 4.281) 8.533 0.884 ( -0.690 0.000 0.625) 0.931 1.325 ( 7.412 0.000 -1.424) 7.548 1.732 ( -16.745 0.000 -7.572) 18.378 1.761 ( -1.202 0.000 -4.696) 4.847 2.183 ( 2.785 0.000 2.259) 3.586 2.764 ( 6.531 0.000 -0.574) 6.556 2.809 ( 0.987 0.000 12.158) 12.198 2.986 ( 12.437 0.000 -19.119) 22.808 3.105 ( -4.159 0.000 -3.813) 5.642 3.280 ( 9.649 0.000 1.092) 9.710 3.406 ( -4.337 0.000 -5.215) 6.783 3.534 ( -16.756 0.000 4.780) 17.424 3.666 ( -5.062 0.000 5.596) 7.546 3.891 ( 8.008 0.000 -6.779) 10.492 4.218 ( -4.839 0.000 -3.732) 6.110 4.525 ( 0.885 0.000 -3.426) 3.538 4.562 ( 10.167 0.000 6.146) 11.880 5.022 ( -2.535 0.000 5.171) 5.759 5.422 ( 12.968 0.000 2.297) 13.169 5.604 ( 12.430 0.000 -1.503) 12.521 5.791 ( 0.057 0.000 -1.789) 1.789 6.048 ( 4.837 0.000 4.770) 6.793 6.406 ( -3.332 0.000 -1.069) 3.500 6.473 ( -5.187 0.000 2.911) 5.948 6.745 ( -5.972 0.000 -3.082) 6.720 6.913 ( -7.446 0.000 0.821) 7.491 7.308 ( 5.048 0.000 5.354) 7.358 7.530 ( -5.639 0.000 7.700) 9.544 7.819 ( -2.008 0.000 -0.421) 2.052 7.968 ( 11.313 0.000 -4.503) 12.176 8.056 ( 0.572 0.000 1.325) 1.444 8.423 ( -8.136 0.000 -4.410) 9.254 8.579 ( -2.176 0.000 -1.495) 2.640 9.023 ( 8.236 0.000 0.340) 8.243 9.199 ( -7.604 0.000 -6.711) 10.142 9.297 ( -8.953 0.000 2.270) 9.236 9.669 ( -3.373 0.000 0.823) 3.472 9.997 ( 1.267 0.000 -4.140) 4.329 10.391 ( -1.653 0.000 4.890) 5.162 10.639 ( -0.117 0.000 -20.023) 20.024 10.703 ( -5.618 0.000 4.802) 7.391 10.907 ( 12.888 0.000 -0.660) 12.904 10.962 ( 1.294 0.000 2.786) 3.072 11.305 ( 11.279 0.000 8.326) 14.019 11.410 ( -2.704 0.000 2.398) 3.614 11.415 ( -5.057 0.000 -1.075) 5.170 11.440 ( -2.519 0.000 8.946) 9.294 11.736 ( -5.557 0.000 -5.873) 8.085 11.977 ( 6.548 0.000 3.678) 7.510 12.311 ( -3.773 0.000 -1.846) 4.200 12.586 ( -13.299 0.000 5.488) 14.387 13.269 ( 9.360 0.000 -1.657) 9.505 13.403 ( -9.612 0.000 0.532) 9.626 13.491 ( 7.662 0.000 0.937) 7.719 13.885 ( -11.445 0.000 0.917) 11.481 14.176 ( -2.418 0.000 -0.264) 2.432 14.580 ( 3.885 0.000 5.824) 7.001 14.657 ( 0.087 0.000 -3.562) 3.563 14.764 ( 10.667 0.000 -5.100) 11.823 15.106 ( 9.746 0.000 2.742) 10.124 15.219 ( -15.480 0.000 17.456) 23.331 16.563 ( 3.940 0.000 -4.853) 6.251 17.073 ( 1.948 0.000 4.896) 5.269 17.535 ( 7.622 0.000 -10.066) 12.626 17.746 ( 1.016 0.000 -0.370) 1.081 18.016 ( -7.671 0.000 -1.891) 7.901 18.724 ( -4.146 0.000 8.439) 9.403 19.167 ( -12.043 0.000 2.929) 12.394 20.429 ( -6.145 0.000 4.906) 7.863 20.659 ( 4.399 0.000 0.110) 4.400 21.224 ( -4.998 0.000 -1.120) 5.122 22.128 ( 55.861 0.000 18.102) 58.721 25.255 ( -44.751 0.000 -31.252) 54.583 25.374 ( 4.697 0.000 5.990) 7.612 25.894 ( 0.649 0.000 -2.505) 2.587 28.300 ( 0.320 0.000 -8.953) 8.958 28.540 ( -2.406 0.000 -1.393) 2.780 ======================= Grid point 221 (108/128) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -1.910 0.000 1.949) 2.729 0.961 ( 15.758 0.000 -4.673) 16.436 1.452 ( 3.990 0.000 1.134) 4.148 1.536 ( -1.500 0.000 -5.430) 5.634 1.753 ( 2.768 0.000 -5.064) 5.771 2.240 ( 2.478 0.000 1.423) 2.858 2.800 ( -12.664 0.000 1.799) 12.791 2.803 ( -2.901 0.000 7.674) 8.203 2.905 ( -0.916 0.000 2.103) 2.294 2.912 ( -23.037 0.000 -4.204) 23.417 3.307 ( 11.482 0.000 3.527) 12.012 3.443 ( -1.530 0.000 -3.678) 3.984 3.577 ( 9.157 0.000 -12.153) 15.217 3.705 ( 10.997 0.000 7.240) 13.166 3.944 ( -0.267 0.000 -4.576) 4.584 4.142 ( -3.545 0.000 -3.815) 5.207 4.537 ( 1.285 0.000 -7.070) 7.186 4.862 ( 13.968 0.000 7.579) 15.892 4.943 ( -2.832 0.000 0.889) 2.968 5.634 ( 8.865 0.000 -3.821) 9.653 5.778 ( -0.768 0.000 -1.316) 1.524 5.834 ( 9.787 0.000 3.261) 10.316 6.030 ( -5.901 0.000 7.130) 9.256 6.387 ( -2.678 0.000 3.432) 4.353 6.411 ( 2.827 0.000 -0.366) 2.851 6.547 ( -13.343 0.000 -5.184) 14.315 6.772 ( -5.565 0.000 5.291) 7.679 7.370 ( 1.028 0.000 -1.551) 1.861 7.546 ( 5.303 0.000 4.702) 7.087 7.738 ( -4.741 0.000 8.669) 9.880 8.039 ( -2.820 0.000 -0.798) 2.931 8.249 ( 15.078 0.000 -6.852) 16.562 8.304 ( -3.126 0.000 -3.165) 4.448 8.531 ( -3.568 0.000 -0.065) 3.569 9.054 ( -1.525 0.000 -15.852) 15.925 9.146 ( -5.470 0.000 1.429) 5.654 9.198 ( 5.589 0.000 4.695) 7.299 9.603 ( -4.225 0.000 2.020) 4.683 10.017 ( 0.716 0.000 5.390) 5.437 10.414 ( 0.647 0.000 -2.001) 2.103 10.608 ( -1.934 0.000 9.237) 9.437 10.611 ( -1.042 0.000 -17.538) 17.569 11.019 ( 4.519 0.000 4.992) 6.734 11.090 ( 1.887 0.000 2.118) 2.837 11.314 ( -1.516 0.000 -2.009) 2.517 11.346 ( -3.854 0.000 8.716) 9.530 11.375 ( -1.140 0.000 -1.743) 2.083 11.511 ( 4.940 0.000 3.429) 6.013 11.650 ( -2.006 0.000 -6.411) 6.717 12.100 ( 4.445 0.000 5.056) 6.733 12.257 ( -0.773 0.000 -1.491) 1.679 12.352 ( -10.876 0.000 4.472) 11.760 13.110 ( -12.425 0.000 -3.130) 12.814 13.474 ( 3.401 0.000 1.532) 3.730 13.618 ( 5.478 0.000 2.599) 6.064 13.672 ( -8.801 0.000 -0.442) 8.812 14.128 ( -2.148 0.000 0.572) 2.223 14.627 ( -1.753 0.000 0.917) 1.979 14.654 ( 3.204 0.000 1.579) 3.572 14.995 ( -6.415 0.000 16.247) 17.467 15.045 ( 18.495 0.000 -2.367) 18.645 15.315 ( 6.684 0.000 -4.557) 8.089 16.570 ( -3.339 0.000 -1.746) 3.768 17.290 ( 18.225 0.000 -0.808) 18.242 17.692 ( 7.141 0.000 -8.193) 10.868 17.764 ( -0.226 0.000 -0.233) 0.324 17.890 ( -1.236 0.000 -9.372) 9.453 18.633 ( -6.341 0.000 11.939) 13.519 18.899 ( -16.055 0.000 4.707) 16.731 20.252 ( -10.949 0.000 2.146) 11.158 20.716 ( 0.997 0.000 -0.370) 1.064 21.144 ( -2.675 0.000 -0.604) 2.743 22.958 ( 27.216 0.000 15.534) 31.337 24.603 ( -18.756 0.000 -21.881) 28.820 25.478 ( 5.152 0.000 6.300) 8.139 25.913 ( 1.622 0.000 -2.855) 3.283 28.202 ( -8.178 0.000 -8.194) 11.577 28.482 ( -3.308 0.000 -1.379) 3.584 ======================= Grid point 222 (109/128) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -2.597 0.000 2.444) 3.567 1.268 ( 12.604 0.000 -6.972) 14.404 1.468 ( -0.973 0.000 1.185) 1.533 1.688 ( 16.788 0.000 -1.245) 16.834 1.863 ( 6.796 0.000 -2.100) 7.113 2.273 ( 0.931 0.000 0.523) 1.068 2.465 ( -19.254 0.000 2.372) 19.399 2.498 ( -16.240 0.000 0.055) 16.240 2.743 ( -3.798 0.000 1.718) 4.169 2.911 ( -1.276 0.000 2.841) 3.114 3.423 ( 1.588 0.000 0.340) 1.624 3.549 ( 11.270 0.000 15.623) 19.264 3.723 ( -7.031 0.000 -3.245) 7.744 3.737 ( 6.847 0.000 -20.448) 21.564 4.068 ( -3.507 0.000 -2.871) 4.533 4.104 ( 13.835 0.000 2.404) 14.042 4.535 ( -0.871 0.000 -5.408) 5.477 4.765 ( -9.407 0.000 7.128) 11.803 5.183 ( 11.626 0.000 -3.220) 12.064 5.763 ( 5.088 0.000 -3.365) 6.101 5.764 ( -1.770 0.000 -0.877) 1.976 5.919 ( -0.883 0.000 3.583) 3.690 5.937 ( -0.789 0.000 7.112) 7.156 6.277 ( -12.004 0.000 -4.097) 12.684 6.422 ( 5.301 0.000 1.798) 5.598 6.487 ( 2.922 0.000 0.299) 2.937 6.698 ( -2.856 0.000 3.197) 4.287 7.346 ( -2.787 0.000 -3.134) 4.194 7.682 ( 7.460 0.000 2.937) 8.017 7.683 ( -1.489 0.000 6.531) 6.698 7.952 ( -5.511 0.000 -1.923) 5.836 8.285 ( 0.566 0.000 -1.412) 1.522 8.453 ( 5.555 0.000 -2.811) 6.226 8.453 ( -3.678 0.000 -0.302) 3.690 9.067 ( 3.123 0.000 -11.234) 11.660 9.143 ( 5.651 0.000 -0.572) 5.680 9.268 ( 1.139 0.000 2.550) 2.793 9.493 ( -7.621 0.000 2.366) 7.980 10.046 ( 1.497 0.000 10.680) 10.785 10.346 ( -4.860 0.000 -7.426) 8.875 10.577 ( -1.012 0.000 -10.130) 10.180 10.689 ( 7.203 0.000 8.826) 11.392 11.005 ( -7.551 0.000 0.930) 7.608 11.137 ( 6.275 0.000 7.630) 9.879 11.267 ( -2.511 0.000 -0.834) 2.646 11.291 ( -1.452 0.000 3.083) 3.408 11.400 ( 0.451 0.000 -1.604) 1.666 11.519 ( -4.098 0.000 -1.904) 4.518 11.684 ( 5.374 0.000 -5.378) 7.603 12.130 ( -0.267 0.000 -0.603) 0.659 12.201 ( -4.882 0.000 3.558) 6.041 12.302 ( 3.976 0.000 3.769) 5.478 12.893 ( -9.463 0.000 -2.134) 9.701 13.415 ( -5.819 0.000 -0.259) 5.825 13.622 ( 0.913 0.000 -0.215) 0.938 13.703 ( 3.050 0.000 1.942) 3.616 14.100 ( -0.902 0.000 0.481) 1.022 14.605 ( -0.716 0.000 1.670) 1.817 14.701 ( 1.594 0.000 0.196) 1.606 14.935 ( -1.694 0.000 8.498) 8.665 15.381 ( 1.355 0.000 -3.503) 3.756 15.425 ( 19.325 0.000 -1.727) 19.402 16.435 ( -9.791 0.000 0.471) 9.802 17.687 ( -4.310 0.000 0.832) 4.389 17.702 ( 23.399 0.000 -4.085) 23.753 17.754 ( 0.953 0.000 -0.909) 1.317 18.039 ( 12.894 0.000 -18.858) 22.845 18.497 ( -8.932 0.000 14.732) 17.229 18.560 ( -19.648 0.000 5.791) 20.484 20.062 ( -7.781 0.000 0.215) 7.784 20.704 ( -1.472 0.000 -0.569) 1.578 21.122 ( -0.027 0.000 -0.025) 0.037 23.218 ( 2.761 0.000 2.872) 3.984 24.478 ( 2.835 0.000 -4.391) 5.227 25.565 ( 3.028 0.000 4.011) 5.025 25.949 ( 1.953 0.000 -1.900) 2.725 28.031 ( -7.515 0.000 -5.117) 9.092 28.421 ( -2.592 0.000 -0.849) 2.728 ======================= Grid point 223 (110/128) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.000 0.000 0.000) 0.000 1.387 ( -0.000 0.000 0.000) 0.000 1.455 ( -0.000 0.000 0.000) 0.000 1.936 ( -0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 -0.000) 0.000 2.085 ( -0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.324 ( -0.000 0.000 0.000) 0.000 2.700 ( -0.000 0.000 -0.000) 0.000 2.891 ( -0.000 0.000 0.000) 0.000 3.468 ( -0.000 0.000 0.000) 0.000 3.616 ( -0.000 0.000 0.000) 0.000 3.717 ( -0.000 0.000 -0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 4.030 ( -0.000 0.000 0.000) 0.000 4.283 ( -0.000 0.000 0.000) 0.000 4.512 ( -0.000 0.000 0.000) 0.000 4.646 ( -0.000 0.000 0.000) 0.000 5.295 ( -0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 -0.000) 0.000 5.820 ( -0.000 0.000 -0.000) 0.000 5.889 ( -0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.102 ( -0.000 0.000 0.000) 0.000 6.494 ( -0.000 0.000 0.000) 0.000 6.519 ( -0.000 0.000 0.000) 0.000 6.670 ( -0.000 0.000 -0.000) 0.000 7.306 ( -0.000 0.000 -0.000) 0.000 7.676 ( -0.000 0.000 0.000) 0.000 7.798 ( -0.000 0.000 -0.000) 0.000 7.856 ( -0.000 0.000 0.000) 0.000 8.295 ( -0.000 0.000 0.000) 0.000 8.413 ( -0.000 0.000 0.000) 0.000 8.492 ( -0.000 0.000 0.000) 0.000 9.104 ( -0.000 0.000 -0.000) 0.000 9.271 ( -0.000 0.000 0.000) 0.000 9.300 ( 0.000 0.000 -0.000) 0.000 9.332 ( -0.000 0.000 0.000) 0.000 10.071 ( -0.000 0.000 0.000) 0.000 10.286 ( -0.000 0.000 0.000) 0.000 10.562 ( -0.000 0.000 0.000) 0.000 10.836 ( -0.000 0.000 -0.000) 0.000 10.860 ( 0.000 0.000 0.000) 0.000 11.202 ( 0.000 0.000 0.000) 0.000 11.242 ( -0.000 0.000 0.000) 0.000 11.326 ( -0.000 0.000 -0.000) 0.000 11.395 ( -0.000 0.000 0.000) 0.000 11.422 ( -0.000 0.000 -0.000) 0.000 11.751 ( -0.000 0.000 0.000) 0.000 12.126 ( -0.000 0.000 0.000) 0.000 12.159 ( -0.000 0.000 0.000) 0.000 12.355 ( -0.000 0.000 0.000) 0.000 12.785 ( -0.000 0.000 0.000) 0.000 13.353 ( -0.000 0.000 0.000) 0.000 13.633 ( -0.000 0.000 0.000) 0.000 13.734 ( -0.000 0.000 0.000) 0.000 14.092 ( -0.000 0.000 0.000) 0.000 14.599 ( -0.000 0.000 -0.000) 0.000 14.717 ( -0.000 0.000 0.000) 0.000 14.925 ( -0.000 0.000 0.000) 0.000 15.389 ( -0.000 0.000 0.000) 0.000 15.658 ( -0.000 0.000 0.000) 0.000 16.297 ( -0.000 0.000 0.000) 0.000 17.643 ( -0.000 0.000 0.000) 0.000 17.762 ( -0.000 0.000 -0.000) 0.000 18.107 ( -0.000 0.000 0.000) 0.000 18.196 ( 0.000 0.000 -0.000) 0.000 18.221 ( -0.000 0.000 0.000) 0.000 18.357 ( -0.000 0.000 0.000) 0.000 19.984 ( -0.000 0.000 -0.000) 0.000 20.685 ( -0.000 0.000 0.000) 0.000 21.124 ( -0.000 0.000 0.000) 0.000 23.225 ( -0.000 0.000 0.000) 0.000 24.528 ( -0.000 0.000 0.000) 0.000 25.595 ( -0.000 0.000 0.000) 0.000 25.970 ( -0.000 0.000 -0.000) 0.000 27.950 ( -0.000 0.000 0.000) 0.000 28.394 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 229 (111/128) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 4.542 0.000) 4.542 1.579 ( 0.000 27.018 0.000) 27.018 1.596 ( -0.000 31.433 -0.000) 31.433 1.818 ( 0.000 17.177 0.000) 17.177 2.302 ( -0.000 22.325 0.000) 22.325 2.342 ( 0.000 5.307 0.000) 5.307 2.667 ( 0.000 -3.107 0.000) 3.107 2.672 ( -0.000 4.355 -0.000) 4.355 2.856 ( 0.000 4.416 0.000) 4.416 2.875 ( -0.000 24.917 -0.000) 24.917 3.252 ( 0.000 -4.200 0.000) 4.200 3.401 ( 0.000 3.813 0.000) 3.813 3.705 ( -0.000 4.521 0.000) 4.521 3.918 ( -0.000 4.104 0.000) 4.104 4.076 ( -0.000 6.716 0.000) 6.716 4.333 ( -0.000 3.576 0.000) 3.576 4.721 ( 0.000 2.296 0.000) 2.296 4.762 ( 0.000 8.008 0.000) 8.008 4.963 ( 0.000 2.199 0.000) 2.199 5.003 ( -0.000 -1.909 -0.000) 1.909 5.383 ( -0.000 11.151 0.000) 11.151 5.716 ( 0.000 -0.299 0.000) 0.299 5.722 ( -0.000 -6.721 -0.000) 6.721 6.418 ( -0.000 -12.266 0.000) 12.266 6.586 ( -0.000 0.241 0.000) 0.241 6.709 ( -0.000 -10.157 0.000) 10.157 6.946 ( -0.000 3.186 0.000) 3.186 7.098 ( 0.000 -5.725 0.000) 5.725 7.491 ( -0.000 -10.617 0.000) 10.617 7.792 ( 0.000 1.345 0.000) 1.345 8.215 ( 0.000 11.133 0.000) 11.133 8.253 ( -0.000 5.643 -0.000) 5.643 8.571 ( 0.000 -4.234 0.000) 4.234 8.738 ( -0.000 6.216 0.000) 6.216 8.891 ( 0.000 5.688 0.000) 5.688 9.242 ( -0.000 6.282 0.000) 6.282 9.506 ( 0.000 0.611 0.000) 0.611 9.748 ( -0.000 -8.050 0.000) 8.050 10.172 ( 0.000 -5.859 0.000) 5.859 10.272 ( -0.000 -6.911 -0.000) 6.911 10.591 ( 0.000 -2.611 0.000) 2.611 10.822 ( 0.000 -0.853 0.000) 0.853 10.913 ( 0.000 -1.540 0.000) 1.540 10.915 ( -0.000 13.639 -0.000) 13.639 10.963 ( -0.000 4.127 -0.000) 4.127 11.306 ( -0.000 7.700 0.000) 7.700 11.470 ( -0.000 -0.864 0.000) 0.864 11.659 ( 0.000 -0.547 0.000) 0.547 11.915 ( -0.000 11.723 0.000) 11.723 12.027 ( -0.000 2.342 -0.000) 2.342 12.471 ( 0.000 -6.783 0.000) 6.783 12.527 ( -0.000 -6.629 0.000) 6.629 13.153 ( -0.000 10.178 0.000) 10.178 13.187 ( 0.000 3.061 0.000) 3.061 13.616 ( -0.000 -13.968 0.000) 13.968 14.093 ( 0.000 -10.318 -0.000) 10.318 14.120 ( 0.000 -5.014 0.000) 5.014 14.326 ( -0.000 -4.248 0.000) 4.248 14.559 ( 0.000 -3.404 0.000) 3.404 14.635 ( -0.000 1.264 -0.000) 1.264 15.068 ( 0.000 14.152 0.000) 14.152 15.854 ( -0.000 19.369 0.000) 19.369 16.665 ( -0.000 16.250 0.000) 16.250 17.358 ( -0.000 -5.844 0.000) 5.844 17.640 ( 0.000 -5.689 0.000) 5.689 18.086 ( -0.000 -0.426 0.000) 0.426 18.190 ( 0.000 16.991 0.000) 16.991 18.785 ( 0.000 -1.799 0.000) 1.799 19.479 ( 0.000 -0.279 0.000) 0.279 19.703 ( 0.000 21.851 0.000) 21.851 20.499 ( 0.000 -3.051 0.000) 3.051 21.193 ( 0.000 40.943 0.000) 40.943 21.292 ( -0.000 -6.086 0.000) 6.086 25.165 ( 0.000 -11.307 0.000) 11.307 25.888 ( -0.000 -0.089 0.000) 0.089 26.766 ( 0.000 -18.147 0.000) 18.147 27.848 ( -0.000 0.995 0.000) 0.995 28.564 ( -0.000 -2.515 0.000) 2.515 ======================= Grid point 231 (112/128) ======================= q-point: ( 0.10 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -13.978 4.896 4.127) 15.375 1.545 ( -1.003 25.147 -2.079) 25.253 1.645 ( 2.005 34.456 3.844) 34.728 1.823 ( 0.866 15.768 -6.417) 17.045 2.163 ( -15.078 10.956 -0.197) 18.639 2.377 ( 5.607 20.547 -0.293) 21.301 2.728 ( 5.528 4.303 -8.501) 11.016 2.778 ( 6.468 1.095 16.179) 17.458 2.841 ( 2.728 7.481 -20.015) 21.540 2.935 ( 6.932 9.643 -4.277) 12.623 3.286 ( 1.424 -5.097 3.837) 6.536 3.442 ( 0.046 6.470 -4.454) 7.855 3.695 ( 3.141 5.562 2.943) 7.033 3.831 ( -9.298 2.075 2.417) 9.828 4.005 ( -6.079 7.574 -3.488) 10.319 4.348 ( -1.173 2.248 -0.545) 2.594 4.563 ( -6.795 7.770 2.232) 10.561 4.660 ( -5.201 5.547 -1.120) 7.686 5.018 ( 0.597 -1.580 2.794) 3.265 5.222 ( 16.953 2.580 6.919) 18.491 5.452 ( 6.424 9.962 -2.313) 12.078 5.732 ( 2.667 -4.044 -2.583) 5.490 5.861 ( 10.605 -2.030 3.514) 11.355 6.387 ( -3.253 -10.701 -1.028) 11.232 6.560 ( -2.347 0.472 0.120) 2.397 6.695 ( -1.709 -11.867 3.459) 12.479 6.855 ( -6.041 -0.153 -0.971) 6.120 7.213 ( 8.086 -2.153 2.822) 8.831 7.509 ( 1.369 -8.986 -4.177) 10.003 7.784 ( 0.256 1.692 1.419) 2.223 8.215 ( 0.309 12.919 -3.962) 13.517 8.243 ( -0.754 7.332 5.003) 8.908 8.583 ( -4.378 3.861 -3.293) 6.702 8.675 ( -1.235 0.200 -0.418) 1.319 8.853 ( -1.712 5.793 2.540) 6.553 9.274 ( 0.755 1.936 0.032) 2.078 9.447 ( -6.681 -1.102 -0.716) 6.809 9.699 ( -4.479 -5.594 1.570) 7.336 10.015 ( -5.660 -3.859 -12.945) 14.645 10.480 ( 9.083 -2.001 5.980) 11.058 10.600 ( 0.665 -2.004 2.645) 3.384 10.729 ( -2.373 3.453 -9.985) 10.829 10.807 ( -4.817 1.085 -2.466) 5.519 10.921 ( 0.494 -0.407 1.096) 1.269 11.125 ( 9.369 6.544 7.110) 13.459 11.409 ( 6.849 5.609 4.353) 9.865 11.441 ( -2.705 -2.239 1.957) 4.020 11.585 ( -6.453 2.136 0.168) 6.800 11.921 ( -7.345 3.729 -2.246) 8.538 11.952 ( 3.286 9.319 -0.915) 9.924 12.334 ( -5.124 -5.615 -1.351) 7.721 12.751 ( 4.012 -7.389 3.473) 9.097 13.033 ( 2.332 6.967 5.044) 8.912 13.367 ( 9.125 4.048 -1.024) 10.035 13.514 ( -9.034 -11.451 -1.519) 14.665 14.015 ( -7.835 -5.664 2.590) 10.009 14.105 ( -1.005 -10.516 -1.956) 10.744 14.428 ( 7.806 -7.210 1.156) 10.689 14.561 ( 0.132 -6.121 -6.821) 9.166 14.668 ( 3.830 2.496 8.040) 9.249 15.119 ( 5.550 14.162 0.077) 15.211 15.737 ( -11.918 26.861 4.992) 29.808 16.741 ( 7.278 18.634 -4.083) 20.417 17.191 ( -21.232 -8.035 9.257) 24.516 17.503 ( -2.386 3.163 0.170) 3.966 17.911 ( -3.707 15.477 -6.524) 17.200 18.169 ( -4.322 5.892 1.133) 7.395 18.767 ( -2.017 -1.487 4.311) 4.986 19.312 ( -8.418 -3.335 1.592) 9.194 20.294 ( 26.110 0.354 5.333) 26.651 20.534 ( 3.289 -3.380 0.729) 4.772 21.251 ( -3.504 -5.868 -0.353) 6.844 21.487 ( 34.547 42.553 8.089) 55.405 25.197 ( 3.041 -10.661 3.788) 11.715 25.871 ( -2.795 -1.786 -2.545) 4.181 26.184 ( -44.104 -7.064 -21.350) 49.507 28.097 ( 14.698 -4.426 -3.816) 15.817 28.556 ( -0.824 -2.226 -0.828) 2.514 ======================= Grid point 232 (113/128) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -5.420 8.120 2.566) 10.095 1.533 ( -1.490 16.179 -0.551) 16.257 1.618 ( -5.218 23.223 -0.804) 23.815 1.843 ( 0.605 25.536 -7.683) 26.673 1.927 ( -3.780 24.770 -1.451) 25.099 2.477 ( 4.401 24.454 1.405) 24.886 2.766 ( -0.318 0.457 4.782) 4.814 2.877 ( 1.908 5.968 4.050) 7.460 2.967 ( 9.090 -0.813 -23.043) 24.784 3.077 ( 1.783 -1.557 2.940) 3.775 3.308 ( -7.410 -6.397 -2.875) 10.202 3.381 ( 7.298 11.062 1.867) 13.384 3.572 ( -10.431 3.924 2.239) 11.367 3.773 ( -5.180 8.851 1.660) 10.389 3.973 ( 6.587 7.251 -7.008) 12.045 4.285 ( -2.766 5.747 -2.746) 6.944 4.528 ( -0.742 0.218 -3.840) 3.917 4.654 ( 6.996 7.808 5.250) 11.725 5.007 ( -2.473 -1.486 5.004) 5.777 5.542 ( 14.335 -2.715 3.975) 15.122 5.584 ( 6.718 8.686 -1.523) 11.086 5.796 ( 4.033 2.277 -0.524) 4.661 6.041 ( 5.658 -1.093 4.729) 7.455 6.315 ( -2.490 -8.883 -1.167) 9.299 6.507 ( -3.238 3.039 2.530) 5.111 6.635 ( -5.378 -13.794 4.975) 15.619 6.752 ( -3.808 0.537 -2.520) 4.598 7.362 ( 6.293 -3.119 2.044) 7.315 7.520 ( 1.209 2.181 -3.554) 4.341 7.832 ( 3.512 -3.194 0.684) 4.796 8.222 ( -4.022 16.919 5.103) 18.123 8.239 ( 2.889 13.469 -3.638) 14.248 8.413 ( -6.166 0.116 -2.727) 6.743 8.680 ( -1.280 13.487 -1.149) 13.596 8.898 ( 5.355 -8.813 3.493) 10.888 9.193 ( -8.483 -0.117 -6.927) 10.952 9.298 ( -6.506 -0.431 0.514) 6.541 9.616 ( -3.680 -4.723 0.926) 6.059 9.967 ( -0.332 -3.671 -4.470) 5.794 10.480 ( -0.884 6.916 6.445) 9.495 10.634 ( -4.201 -4.262 0.584) 6.013 10.737 ( -0.576 6.530 -12.778) 14.362 10.839 ( 9.349 -5.916 -0.212) 11.066 10.960 ( 5.447 1.667 0.389) 5.710 11.278 ( 2.422 -3.980 3.549) 5.856 11.376 ( -2.296 -0.312 1.767) 2.914 11.476 ( -2.971 6.812 -0.947) 7.492 11.510 ( 2.826 5.151 7.992) 9.919 11.796 ( -5.102 4.794 -0.702) 7.036 12.041 ( 5.278 7.067 1.405) 8.932 12.248 ( -3.741 -5.488 -1.806) 6.883 12.617 ( -11.752 1.845 4.399) 12.684 13.214 ( 3.243 -5.543 -2.719) 6.974 13.336 ( -2.728 -5.450 2.552) 6.607 13.507 ( 4.376 0.222 2.262) 4.931 13.839 ( -9.404 -3.647 0.869) 10.123 14.065 ( -2.611 -11.203 0.101) 11.504 14.506 ( -0.461 -8.045 0.407) 8.068 14.639 ( 9.701 -7.597 0.904) 12.355 14.768 ( 4.518 -1.948 4.383) 6.589 15.264 ( 7.051 13.685 0.417) 15.400 15.503 ( -8.168 41.024 5.784) 42.227 16.792 ( -6.081 14.584 -0.220) 15.802 17.019 ( 9.352 -0.430 1.918) 9.557 17.568 ( 7.530 2.474 -8.833) 11.868 17.896 ( 1.020 14.069 -4.210) 14.721 18.048 ( -7.753 4.961 -0.095) 9.205 18.716 ( -3.809 -0.863 8.152) 9.039 19.124 ( -11.597 -4.376 2.467) 12.639 20.444 ( -4.751 1.129 4.630) 6.729 20.618 ( 4.728 -4.497 0.485) 6.543 21.157 ( -5.583 -6.781 -1.526) 8.915 22.377 ( 46.412 25.191 19.034) 56.133 25.216 ( -24.777 -4.371 -18.476) 31.215 25.331 ( -9.720 -3.676 -3.590) 10.995 25.882 ( -0.737 -1.635 -3.682) 4.096 28.243 ( 0.946 -5.066 -7.193) 8.849 28.529 ( -1.955 -1.513 -1.356) 2.819 ======================= Grid point 233 (114/128) ======================= q-point: ( 0.30 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 14.136 7.364 -4.775) 16.639 1.463 ( -2.250 6.269 0.327) 6.668 1.569 ( 0.774 15.336 0.069) 15.356 1.830 ( 0.011 48.776 -1.909) 48.813 2.003 ( 7.495 23.418 -4.713) 25.036 2.541 ( 1.884 24.044 0.923) 24.135 2.726 ( -6.339 -3.984 6.379) 9.836 2.793 ( -12.093 0.214 1.957) 12.253 2.889 ( -12.295 -1.215 -9.274) 15.449 3.027 ( -4.500 10.232 3.221) 11.633 3.286 ( 10.274 -1.675 3.036) 10.843 3.469 ( -1.054 3.941 -1.143) 4.237 3.657 ( 8.694 6.529 -9.852) 14.672 3.708 ( 5.495 2.137 4.917) 7.678 4.020 ( -1.624 6.747 -4.954) 8.526 4.250 ( -0.695 8.964 -3.163) 9.531 4.533 ( 1.265 -0.365 -6.535) 6.666 4.885 ( 7.999 2.058 8.412) 11.789 4.940 ( 1.716 0.149 -1.518) 2.296 5.670 ( 3.313 -0.311 -3.142) 4.576 5.750 ( 6.330 -3.695 0.632) 7.356 5.861 ( 0.774 3.730 2.092) 4.346 6.071 ( -1.205 4.515 7.696) 9.003 6.334 ( 3.196 -7.313 -0.264) 7.985 6.430 ( -5.870 -1.964 8.710) 10.685 6.534 ( -2.207 2.371 -2.558) 4.127 6.713 ( -0.288 1.101 -1.492) 1.877 7.401 ( -1.829 -1.832 -0.603) 2.658 7.623 ( 9.111 10.111 -1.597) 13.704 7.864 ( -0.469 -2.469 1.425) 2.889 8.065 ( -8.945 11.157 -1.868) 14.421 8.280 ( 0.602 -2.899 0.733) 3.050 8.439 ( 2.686 21.277 5.554) 22.153 8.668 ( 3.379 11.174 -4.232) 12.418 8.974 ( 0.756 -8.965 -0.255) 9.001 9.065 ( -2.477 -2.478 -8.420) 9.120 9.210 ( -1.897 -0.011 0.666) 2.010 9.551 ( -3.496 -5.048 -0.166) 6.143 9.961 ( 0.113 -5.383 4.589) 7.074 10.470 ( -5.771 2.068 -2.107) 6.482 10.580 ( 3.732 -0.893 10.638) 11.309 10.717 ( -0.674 9.160 -14.943) 17.540 10.954 ( 4.740 -4.598 1.172) 6.707 11.088 ( 2.170 1.197 2.729) 3.686 11.241 ( -2.971 -6.531 1.075) 7.256 11.341 ( -0.063 1.874 0.925) 2.091 11.454 ( -0.928 4.786 1.109) 5.000 11.591 ( 4.133 7.959 1.716) 9.131 11.723 ( -2.072 6.433 -0.541) 6.780 12.110 ( 0.306 -1.231 -0.911) 1.562 12.219 ( 1.925 -0.543 1.083) 2.275 12.396 ( -10.503 3.491 4.691) 12.021 13.047 ( -10.930 -6.190 -2.827) 12.875 13.441 ( 0.281 -3.562 1.284) 3.797 13.506 ( -0.545 -8.376 1.651) 8.554 13.736 ( -0.450 3.451 1.180) 3.675 14.024 ( -1.430 -9.913 1.317) 10.102 14.495 ( -0.485 -7.038 2.300) 7.420 14.797 ( 1.798 -8.721 7.427) 11.596 14.890 ( 11.723 -10.037 -2.512) 15.636 15.288 ( -1.199 41.427 4.686) 41.709 15.551 ( 8.755 23.278 -3.130) 25.066 16.679 ( -5.944 6.520 0.253) 8.827 17.304 ( 18.123 4.403 -0.588) 18.659 17.746 ( 9.977 3.489 -10.485) 14.888 17.901 ( -5.753 5.462 -2.949) 8.464 17.923 ( 2.284 12.595 -5.075) 13.769 18.630 ( -6.138 -0.363 11.452) 12.998 18.870 ( -15.060 -3.076 3.969) 15.875 20.276 ( -10.961 2.303 2.100) 11.396 20.684 ( 1.543 -3.654 -0.186) 3.971 21.060 ( -3.700 -8.520 -0.858) 9.328 23.087 ( 23.492 13.910 15.401) 31.346 24.662 ( -16.643 6.346 -20.096) 26.854 25.418 ( 5.736 -6.533 6.923) 11.113 25.882 ( 0.958 -3.576 -3.589) 5.156 28.162 ( -7.237 -3.465 -7.126) 10.732 28.479 ( -2.981 -0.798 -1.388) 3.383 ======================= Grid point 234 (115/128) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 13.401 5.859 -4.860) 15.412 1.435 ( -2.028 10.463 2.660) 10.985 1.727 ( 16.068 10.251 -0.294) 19.062 1.829 ( -0.236 50.110 -1.258) 50.126 2.139 ( 5.851 22.391 -2.988) 23.334 2.438 ( -18.212 -0.893 0.727) 18.248 2.523 ( -10.028 10.313 1.003) 14.419 2.562 ( -2.537 14.869 1.558) 15.164 2.804 ( -0.566 8.156 0.497) 8.191 2.935 ( -5.170 2.872 1.215) 6.038 3.440 ( -0.340 4.221 -1.235) 4.411 3.487 ( 7.572 -4.789 11.414) 14.510 3.740 ( 2.167 3.260 -12.553) 13.149 3.820 ( 1.533 4.855 -1.967) 5.458 4.021 ( 2.399 -0.272 -1.036) 2.627 4.289 ( 6.141 12.718 -1.374) 14.190 4.540 ( -0.187 0.377 -5.240) 5.257 4.775 ( -8.356 1.075 5.692) 10.167 5.182 ( 10.477 -0.244 -2.580) 10.792 5.722 ( 1.736 -3.820 -2.370) 4.819 5.765 ( -1.731 0.118 -0.780) 1.902 5.894 ( 1.441 -2.435 3.124) 4.215 6.024 ( -1.870 6.155 6.151) 8.900 6.289 ( -7.207 0.201 1.496) 7.363 6.405 ( 2.286 -5.906 1.062) 6.422 6.560 ( 2.040 -1.810 1.304) 3.022 6.755 ( 5.249 17.394 -1.794) 18.257 7.328 ( -5.111 0.000 -0.424) 5.129 7.808 ( 8.445 10.111 -0.299) 13.177 7.831 ( -1.950 7.954 -0.200) 8.191 7.952 ( -2.291 -1.228 -2.298) 3.469 8.256 ( -3.444 -4.134 1.960) 5.727 8.412 ( -2.933 19.357 4.405) 20.068 8.792 ( 4.311 17.112 -2.186) 17.782 8.979 ( 3.481 -10.320 -4.309) 11.712 9.078 ( 3.063 -1.885 -4.542) 5.793 9.203 ( -0.029 -6.725 1.772) 6.954 9.471 ( -4.745 -2.705 -1.277) 5.609 9.991 ( 2.162 -5.300 9.528) 11.115 10.327 ( -6.980 -2.199 -4.515) 8.599 10.678 ( 0.739 6.465 -2.881) 7.117 10.721 ( 5.218 3.450 2.692) 6.810 10.985 ( -3.631 -1.525 -1.576) 4.242 11.106 ( 3.923 0.992 1.939) 4.487 11.196 ( -1.168 -3.722 1.822) 4.306 11.367 ( 0.574 -0.805 1.026) 1.424 11.411 ( -2.914 6.634 3.386) 7.998 11.618 ( -3.343 8.211 -2.312) 9.162 11.748 ( 5.360 6.154 -3.277) 8.794 12.096 ( 0.005 -3.803 -4.186) 5.656 12.237 ( -3.643 3.282 1.785) 5.218 12.295 ( 1.855 0.589 6.716) 6.992 12.854 ( -8.529 -3.963 -1.768) 9.570 13.317 ( -6.502 -9.423 -0.194) 11.450 13.574 ( 3.001 -3.586 0.317) 4.686 13.755 ( 1.160 2.752 1.160) 3.204 14.011 ( -0.271 -8.107 1.219) 8.203 14.491 ( -0.166 -6.258 2.035) 6.582 14.808 ( -0.193 -9.907 4.740) 10.984 15.087 ( 7.004 -15.368 -2.986) 17.151 15.294 ( 1.031 50.091 2.838) 50.182 15.748 ( 11.714 19.897 -2.765) 23.254 16.532 ( -9.293 7.480 0.697) 11.950 17.666 ( 15.747 1.341 0.134) 15.805 17.752 ( -1.487 4.880 0.176) 5.104 17.942 ( 4.367 15.194 -4.106) 16.333 18.045 ( 12.482 0.839 -18.121) 22.020 18.495 ( -9.276 -0.490 13.501) 16.388 18.556 ( -17.501 0.022 5.734) 18.416 20.084 ( -7.923 2.273 0.289) 8.248 20.677 ( -1.458 -2.797 -0.634) 3.217 21.025 ( -0.328 -10.147 0.101) 10.153 23.310 ( 2.128 10.273 3.009) 10.914 24.555 ( 2.809 8.013 -3.967) 9.372 25.512 ( 3.168 -5.848 4.296) 7.918 25.909 ( 1.839 -4.319 -2.199) 5.184 28.008 ( -6.901 -1.907 -4.621) 8.521 28.423 ( -2.447 -0.393 -0.866) 2.625 ======================= Grid point 235 (116/128) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -0.000 12.790 0.000) 12.790 1.467 ( -0.000 7.292 0.000) 7.292 1.820 ( -0.000 50.384 0.000) 50.384 2.075 ( 0.000 4.811 -0.000) 4.811 2.096 ( -0.000 1.249 0.000) 1.249 2.195 ( -0.000 19.835 -0.000) 19.835 2.407 ( -0.000 12.313 0.000) 12.313 2.540 ( -0.000 15.754 0.000) 15.754 2.799 ( -0.000 13.409 0.000) 13.409 2.882 ( -0.000 -1.062 0.000) 1.062 3.444 ( -0.000 1.343 0.000) 1.343 3.552 ( -0.000 -4.848 0.000) 4.848 3.753 ( -0.000 2.674 -0.000) 2.674 3.832 ( -0.000 6.699 0.000) 6.699 4.041 ( -0.000 -0.321 0.000) 0.321 4.405 ( -0.000 11.711 -0.000) 11.711 4.523 ( -0.000 0.912 0.000) 0.912 4.665 ( -0.000 1.735 0.000) 1.735 5.281 ( -0.000 -1.957 0.000) 1.957 5.705 ( 0.000 -2.009 -0.000) 2.009 5.806 ( 0.000 -3.403 -0.000) 3.403 5.847 ( -0.000 2.308 0.000) 2.308 6.075 ( -0.000 -2.073 0.000) 2.073 6.178 ( -0.000 9.017 0.000) 9.017 6.429 ( -0.000 -6.325 0.000) 6.325 6.576 ( -0.000 -8.134 -0.000) 8.134 6.835 ( -0.000 28.193 0.000) 28.193 7.258 ( -0.000 -3.093 0.000) 3.093 7.797 ( -0.000 9.212 0.000) 9.212 7.909 ( -0.000 3.715 0.000) 3.715 7.949 ( -0.000 5.909 0.000) 5.909 8.196 ( -0.000 -3.094 0.000) 3.094 8.386 ( -0.000 14.637 0.000) 14.637 8.809 ( -0.000 16.850 0.000) 16.850 9.076 ( 0.000 -2.304 -0.000) 2.304 9.078 ( -0.000 -13.050 0.000) 13.050 9.221 ( -0.000 -6.695 0.000) 6.695 9.402 ( -0.000 1.121 0.000) 1.121 10.029 ( -0.000 -4.006 0.000) 4.006 10.243 ( -0.000 -3.919 0.000) 3.919 10.673 ( -0.000 9.495 0.000) 9.495 10.807 ( -0.000 -4.776 0.000) 4.776 10.917 ( -0.000 5.244 0.000) 5.244 11.147 ( -0.000 -1.552 0.000) 1.552 11.239 ( 0.000 2.743 -0.000) 2.743 11.286 ( -0.000 -3.135 0.000) 3.135 11.460 ( -0.000 3.162 -0.000) 3.162 11.526 ( -0.000 9.302 0.000) 9.302 11.815 ( -0.000 5.833 0.000) 5.833 12.105 ( -0.000 -1.301 0.000) 1.301 12.200 ( -0.000 3.693 0.000) 3.693 12.325 ( -0.000 -2.300 0.000) 2.300 12.757 ( -0.000 -2.871 0.000) 2.871 13.251 ( -0.000 -9.814 0.000) 9.814 13.603 ( -0.000 -2.932 0.000) 2.932 13.768 ( -0.000 1.795 0.000) 1.795 14.010 ( -0.000 -7.357 0.000) 7.357 14.490 ( -0.000 -5.965 -0.000) 5.965 14.808 ( -0.000 -10.076 0.000) 10.076 15.148 ( -0.000 -15.202 0.000) 15.202 15.309 ( -0.000 50.847 0.000) 50.847 15.905 ( -0.000 18.315 0.000) 18.315 16.402 ( -0.000 8.708 0.000) 8.708 17.692 ( -0.000 4.924 0.000) 4.924 17.866 ( -0.000 8.413 0.000) 8.413 18.106 ( -0.000 0.150 0.000) 0.150 18.199 ( 0.000 1.668 0.000) 1.668 18.288 ( 0.000 6.910 -0.000) 6.910 18.351 ( -0.000 -0.830 0.000) 0.830 20.004 ( -0.000 2.188 -0.000) 2.188 20.658 ( -0.000 -2.800 0.000) 2.800 21.025 ( -0.000 -10.430 0.000) 10.430 23.313 ( -0.000 9.891 0.000) 9.891 24.603 ( -0.000 7.774 0.000) 7.774 25.544 ( -0.000 -5.809 0.000) 5.809 25.930 ( -0.000 -4.355 -0.000) 4.355 27.933 ( -0.000 -1.284 0.000) 1.284 28.397 ( -0.000 -0.273 0.000) 0.273 ======================= Grid point 241 (117/128) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.000 6.111 0.000) 6.111 1.665 ( 0.000 -1.657 0.000) 1.657 2.124 ( -0.000 9.145 0.000) 9.145 2.160 ( 0.000 20.691 0.000) 20.691 2.445 ( 0.000 6.263 0.000) 6.263 2.648 ( 0.000 2.019 0.000) 2.019 2.717 ( -0.000 1.815 0.000) 1.815 2.878 ( -0.000 -3.905 0.000) 3.905 3.094 ( 0.000 42.410 0.000) 42.410 3.175 ( -0.000 -0.105 0.000) 0.105 3.309 ( -0.000 13.163 0.000) 13.163 3.559 ( 0.000 11.869 -0.000) 11.869 4.028 ( 0.000 22.259 0.000) 22.259 4.068 ( 0.000 12.451 -0.000) 12.451 4.169 ( -0.000 13.832 0.000) 13.832 4.387 ( -0.000 0.601 0.000) 0.601 4.783 ( 0.000 3.478 0.000) 3.478 4.858 ( -0.000 1.785 0.000) 1.785 4.960 ( -0.000 -2.600 -0.000) 2.600 5.003 ( 0.000 1.745 0.000) 1.745 5.492 ( 0.000 -15.741 0.000) 15.741 5.667 ( 0.000 13.623 0.000) 13.623 5.706 ( 0.000 -1.284 0.000) 1.284 6.211 ( -0.000 -11.072 0.000) 11.072 6.592 ( -0.000 -0.217 0.000) 0.217 6.599 ( -0.000 1.439 0.000) 1.439 6.955 ( -0.000 -7.512 -0.000) 7.512 7.018 ( 0.000 2.932 0.000) 2.932 7.365 ( -0.000 -1.962 0.000) 1.962 7.782 ( 0.000 -5.345 0.000) 5.345 8.163 ( -0.000 -7.525 0.000) 7.525 8.199 ( 0.000 -9.528 -0.000) 9.528 8.599 ( 0.000 5.853 0.000) 5.853 8.794 ( -0.000 1.632 0.000) 1.632 9.192 ( -0.000 17.069 -0.000) 17.069 9.430 ( 0.000 11.005 0.000) 11.005 9.453 ( -0.000 -4.960 0.000) 4.960 9.562 ( -0.000 -9.260 0.000) 9.260 10.036 ( 0.000 -7.679 0.000) 7.679 10.077 ( -0.000 -12.538 -0.000) 12.538 10.546 ( 0.000 -1.793 0.000) 1.793 10.821 ( 0.000 2.971 0.000) 2.971 10.842 ( -0.000 -5.681 -0.000) 5.681 11.076 ( 0.000 6.253 0.000) 6.253 11.196 ( -0.000 11.844 -0.000) 11.844 11.355 ( -0.000 -4.450 0.000) 4.450 11.496 ( -0.000 3.349 -0.000) 3.349 11.708 ( -0.000 5.114 0.000) 5.114 12.157 ( -0.000 11.420 0.000) 11.420 12.171 ( 0.000 13.240 0.000) 13.240 12.322 ( 0.000 -6.768 0.000) 6.768 12.424 ( -0.000 -2.488 0.000) 2.488 13.206 ( -0.000 -3.116 0.000) 3.116 13.313 ( -0.000 -15.559 0.000) 15.559 13.385 ( -0.000 12.281 0.000) 12.281 13.831 ( 0.000 -13.120 0.000) 13.120 13.994 ( 0.000 -7.533 0.000) 7.533 14.174 ( 0.000 -10.707 0.000) 10.707 14.461 ( -0.000 -2.679 0.000) 2.679 14.599 ( -0.000 -3.946 0.000) 3.946 15.428 ( 0.000 20.998 0.000) 20.998 16.314 ( -0.000 8.348 0.000) 8.348 17.068 ( -0.000 32.869 0.000) 32.869 17.293 ( -0.000 3.091 0.000) 3.091 17.535 ( 0.000 -5.322 0.000) 5.322 18.254 ( -0.000 14.921 0.000) 14.921 18.479 ( -0.000 8.018 0.000) 8.018 18.728 ( 0.000 -3.217 0.000) 3.217 19.533 ( 0.000 7.561 0.000) 7.561 19.972 ( 0.000 8.198 0.000) 8.198 20.423 ( 0.000 -4.195 0.000) 4.195 21.105 ( -0.000 -13.508 0.000) 13.508 22.250 ( 0.000 61.516 0.000) 61.516 24.832 ( 0.000 -23.478 0.000) 23.478 25.891 ( -0.000 0.604 0.000) 0.604 26.378 ( -0.000 -19.557 0.000) 19.557 27.904 ( -0.000 5.368 0.000) 5.368 28.472 ( -0.000 -7.317 0.000) 7.317 ======================= Grid point 243 (118/128) ======================= q-point: ( 0.10 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -10.545 8.243 0.901) 13.414 1.641 ( -2.175 -2.509 -0.929) 3.448 2.116 ( -6.376 10.071 -0.903) 11.954 2.195 ( 3.314 21.432 -2.583) 21.840 2.379 ( 0.432 6.279 0.062) 6.294 2.771 ( 1.426 1.685 6.443) 6.811 2.778 ( 10.937 3.642 -3.165) 11.954 2.876 ( 3.396 -2.817 -6.816) 8.120 3.018 ( -5.316 17.731 -9.848) 20.967 3.225 ( 3.860 23.674 -0.019) 23.987 3.249 ( -4.112 6.400 -5.085) 9.150 3.675 ( 6.670 11.790 8.169) 15.818 3.918 ( -12.106 6.507 2.935) 14.054 3.994 ( -1.158 23.680 -5.543) 24.348 4.187 ( -0.194 19.466 -2.636) 19.645 4.393 ( 0.448 0.618 -1.897) 2.045 4.659 ( -8.951 3.852 1.538) 9.865 4.784 ( -2.372 5.258 0.924) 5.842 4.978 ( 0.712 -2.514 2.376) 3.531 5.199 ( 12.731 -3.228 1.307) 13.198 5.539 ( 4.098 -12.014 -1.110) 12.743 5.751 ( 7.954 11.582 5.380) 15.045 5.810 ( 9.106 -3.030 2.044) 9.812 6.176 ( -3.591 -12.088 -1.763) 12.733 6.572 ( -1.258 1.991 0.366) 2.383 6.588 ( -1.761 0.915 3.078) 3.662 6.847 ( -5.031 -1.248 -1.535) 5.406 7.172 ( 9.290 -1.618 2.216) 9.687 7.405 ( 4.237 -1.213 -2.028) 4.851 7.774 ( -0.323 -5.056 1.388) 5.253 8.170 ( 1.726 -5.550 1.083) 5.912 8.267 ( 5.531 -9.162 -3.471) 11.251 8.617 ( -0.094 4.718 0.073) 4.719 8.723 ( -4.994 3.723 -2.517) 6.719 9.134 ( -4.846 11.270 1.204) 12.327 9.335 ( -5.174 -4.153 -1.174) 6.738 9.422 ( -5.925 5.577 -1.519) 8.277 9.605 ( 1.455 -0.030 5.668) 5.852 9.902 ( -2.589 -6.748 -11.916) 13.937 10.344 ( 15.095 -10.387 9.293) 20.545 10.556 ( 0.167 -2.611 3.370) 4.267 10.716 ( -5.907 -1.448 -3.516) 7.025 10.897 ( 1.046 -0.047 -4.030) 4.164 10.989 ( -1.894 10.672 -1.936) 11.010 11.252 ( 1.139 2.781 -2.539) 3.934 11.440 ( 1.032 -1.838 4.821) 5.262 11.454 ( 2.873 4.291 3.246) 6.099 11.702 ( -0.888 8.359 -0.023) 8.406 12.041 ( -7.778 9.007 -3.158) 12.313 12.173 ( -1.291 8.856 -2.200) 9.216 12.239 ( -2.303 0.454 0.211) 2.357 12.613 ( 8.852 -5.201 3.051) 10.711 13.132 ( -4.499 -0.625 2.118) 5.011 13.261 ( -4.600 -12.510 0.723) 13.348 13.443 ( 3.133 3.139 4.921) 6.624 13.837 ( 0.092 -11.857 -0.827) 11.886 13.894 ( -7.501 -6.982 1.075) 10.304 14.249 ( 5.379 -10.674 1.712) 12.075 14.460 ( 0.251 -2.740 -2.553) 3.753 14.610 ( 1.143 -5.384 3.675) 6.618 15.473 ( 4.714 20.614 0.500) 21.152 16.335 ( 2.222 12.595 -3.375) 13.227 17.096 ( -5.709 26.313 5.341) 27.450 17.193 ( -1.271 10.972 -3.351) 11.543 17.527 ( 0.867 -0.228 0.065) 0.898 18.205 ( -3.414 15.123 -7.434) 17.194 18.415 ( -5.369 13.523 2.479) 14.760 18.719 ( -1.148 -3.122 3.807) 5.056 19.281 ( -14.403 3.449 -0.265) 14.813 20.270 ( 14.137 -4.830 3.036) 15.244 20.467 ( 4.504 -1.652 1.601) 5.058 21.071 ( -3.410 -12.530 -1.077) 13.031 22.483 ( 22.758 56.048 12.345) 61.739 24.885 ( 5.075 -21.941 5.162) 23.104 25.831 ( -8.953 -1.914 -5.475) 10.668 26.027 ( -26.093 -8.314 -15.657) 31.545 28.042 ( 9.725 0.021 -1.200) 9.799 28.473 ( -0.032 -6.726 -0.762) 6.769 ======================= Grid point 244 (119/128) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -3.072 11.578 -1.848) 12.120 1.595 ( -2.381 -2.804 -1.533) 3.985 1.884 ( -12.124 13.252 -1.111) 17.996 2.286 ( 6.138 18.446 -5.222) 20.130 2.496 ( 8.248 9.692 1.602) 12.827 2.694 ( -7.227 -1.839 7.059) 10.269 2.894 ( -4.919 7.433 -8.157) 12.082 2.970 ( 5.738 4.459 -14.369) 16.102 3.069 ( 10.771 6.419 8.141) 14.950 3.162 ( -2.537 0.912 -2.603) 3.748 3.313 ( 4.714 26.947 -6.410) 28.097 3.665 ( -9.588 7.292 -1.296) 12.115 3.684 ( -6.102 11.148 8.349) 15.205 4.073 ( 4.558 22.138 -5.239) 23.201 4.157 ( -0.388 17.310 -4.153) 17.805 4.395 ( 0.163 3.867 -1.669) 4.215 4.535 ( -3.526 0.858 -1.363) 3.877 4.799 ( 4.606 6.711 2.407) 8.488 4.970 ( -1.955 -2.089 4.295) 5.161 5.425 ( 10.142 -6.862 -0.978) 12.284 5.621 ( 4.347 -6.021 -0.975) 7.490 5.918 ( 6.221 5.258 5.162) 9.643 5.984 ( 5.682 -3.602 5.983) 9.003 6.099 ( -0.956 -14.193 -1.724) 14.330 6.498 ( -6.605 0.536 6.893) 9.562 6.587 ( 0.852 3.842 0.044) 3.935 6.794 ( 0.541 4.563 -1.971) 5.000 7.331 ( 6.724 -0.529 0.743) 6.786 7.526 ( 8.554 1.140 -3.048) 9.152 7.789 ( 1.585 -4.634 1.903) 5.254 8.220 ( 2.472 -2.253 0.232) 3.353 8.378 ( 3.856 -7.167 -3.662) 8.924 8.484 ( -7.043 5.683 -3.234) 9.610 8.757 ( 5.809 1.297 0.182) 5.955 9.030 ( -5.405 3.662 2.020) 6.834 9.211 ( -10.283 1.704 -0.666) 10.444 9.325 ( 0.036 4.510 -2.821) 5.320 9.583 ( -3.727 5.463 3.485) 7.476 9.882 ( -0.941 -2.317 -4.546) 5.188 10.499 ( -1.384 -5.447 9.720) 11.228 10.560 ( -1.430 -2.979 3.649) 4.923 10.688 ( 5.254 -7.069 -0.607) 8.829 10.911 ( 3.201 6.704 -11.651) 13.818 11.057 ( 7.463 7.587 1.561) 10.756 11.219 ( -3.744 -0.239 -5.669) 6.798 11.374 ( -2.756 -0.883 2.783) 4.015 11.616 ( 6.828 5.492 8.691) 12.342 11.670 ( -1.203 12.583 -3.594) 13.141 11.936 ( -3.066 8.871 1.279) 9.473 12.081 ( -6.283 -3.585 -3.960) 8.246 12.255 ( 2.316 7.103 -0.447) 7.484 12.637 ( -5.980 1.491 3.066) 6.883 13.034 ( -7.300 -13.069 -2.676) 15.207 13.259 ( 5.463 -3.651 4.390) 7.902 13.440 ( -4.900 -6.450 5.868) 10.002 13.739 ( -5.403 -11.148 -1.174) 12.444 13.865 ( 1.180 -1.536 2.755) 3.368 14.322 ( 1.278 -10.480 3.877) 11.247 14.509 ( 5.557 -4.818 -0.073) 7.355 14.642 ( 1.856 -7.293 1.821) 7.743 15.605 ( 8.534 18.985 0.439) 20.819 16.392 ( 4.053 24.479 -6.011) 25.530 16.856 ( -11.418 15.246 7.758) 20.567 17.344 ( 10.924 25.782 -4.305) 28.330 17.593 ( 6.592 -0.356 -5.908) 8.859 18.129 ( -4.782 11.270 -5.713) 13.510 18.323 ( -3.430 18.548 1.873) 18.956 18.686 ( -2.899 -2.326 7.007) 7.932 19.038 ( -11.742 -1.256 0.327) 11.814 20.403 ( 1.419 -11.546 0.597) 11.649 20.523 ( -0.059 -0.229 3.226) 3.235 20.977 ( -6.063 -11.165 -2.029) 12.866 23.036 ( 29.262 40.858 19.628) 53.953 25.019 ( 7.164 -17.086 6.576) 19.660 25.319 ( -28.798 3.710 -20.477) 35.530 25.814 ( -4.008 -5.737 -6.403) 9.485 28.156 ( 1.511 -2.563 -4.070) 5.042 28.463 ( -1.049 -5.665 -1.362) 5.920 ======================= Grid point 245 (120/128) ======================= q-point: ( 0.30 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 10.430 10.146 -4.688) 15.287 1.542 ( -2.136 0.893 0.465) 2.361 1.782 ( 2.115 13.595 -1.586) 13.850 2.386 ( 2.599 8.931 -2.375) 9.600 2.562 ( -5.973 5.832 2.113) 8.611 2.612 ( 1.771 8.128 -1.257) 8.413 2.822 ( -3.296 -2.429 -8.322) 9.275 2.866 ( -7.365 10.265 6.761) 14.329 3.176 ( -1.174 11.587 -7.132) 13.657 3.225 ( 2.277 20.531 1.400) 20.704 3.331 ( -1.564 14.418 6.603) 15.935 3.580 ( 2.476 5.749 -7.753) 9.964 3.694 ( 7.320 0.701 4.325) 8.531 4.038 ( -3.779 30.577 -1.849) 30.865 4.166 ( -1.994 8.437 -6.304) 10.719 4.414 ( 2.442 6.853 -0.971) 7.340 4.515 ( 0.972 -1.951 -5.057) 5.507 4.907 ( -3.706 0.838 5.618) 6.782 4.973 ( 10.687 2.319 -0.451) 10.945 5.565 ( 4.459 -8.076 -3.003) 9.702 5.718 ( 5.906 -1.291 0.035) 6.046 5.876 ( -6.327 -2.817 0.162) 6.928 6.073 ( 4.205 -6.917 5.364) 9.710 6.192 ( 5.454 -9.332 3.926) 11.500 6.347 ( -9.147 2.165 7.392) 11.958 6.568 ( -2.979 -0.612 -1.193) 3.267 6.894 ( 9.219 12.874 0.290) 15.837 7.430 ( 3.421 3.064 -0.974) 4.695 7.705 ( 8.912 1.690 -3.552) 9.741 7.828 ( 2.708 -1.603 1.455) 3.467 8.184 ( -8.199 1.463 -2.743) 8.769 8.308 ( -0.394 7.461 -1.024) 7.542 8.577 ( 8.385 -9.837 -2.061) 13.089 8.868 ( 3.851 -3.105 -0.948) 5.037 8.948 ( -4.330 4.093 7.582) 9.643 9.042 ( -3.951 5.031 -3.014) 7.071 9.341 ( 0.379 9.269 -2.880) 9.713 9.495 ( -4.840 8.416 0.507) 9.722 9.845 ( -1.472 -4.522 2.168) 5.227 10.419 ( -6.999 -4.727 3.960) 9.327 10.573 ( 3.371 -2.162 5.889) 7.122 10.755 ( 1.092 -6.577 0.026) 6.667 11.003 ( 6.689 7.253 -10.143) 14.150 11.116 ( -4.527 -1.429 -2.313) 5.281 11.225 ( 5.938 10.291 1.106) 11.932 11.343 ( -0.688 -2.089 4.356) 4.880 11.619 ( -1.156 13.221 -0.317) 13.276 11.770 ( 6.524 8.685 -1.020) 10.910 11.880 ( -4.082 10.301 2.110) 11.280 11.980 ( -2.624 -9.419 -4.062) 10.588 12.296 ( 1.705 4.138 -1.775) 4.815 12.478 ( -8.828 5.905 5.702) 12.055 12.881 ( -7.760 -11.079 -2.717) 13.796 13.264 ( -9.832 -13.603 3.410) 17.127 13.407 ( 5.813 -2.138 1.658) 6.412 13.684 ( -1.049 -11.415 -1.265) 11.533 13.899 ( 1.700 1.382 5.195) 5.638 14.332 ( 0.076 -9.748 4.951) 10.934 14.605 ( 2.296 -8.050 2.841) 8.840 14.711 ( 5.981 -8.438 -2.220) 10.578 15.787 ( 10.236 17.730 0.389) 20.476 16.474 ( 4.737 37.689 -6.355) 38.513 16.728 ( -3.344 14.891 4.504) 15.913 17.548 ( 10.482 19.696 1.573) 22.367 17.781 ( 13.371 -0.360 -14.368) 19.631 18.000 ( -7.612 8.605 -1.804) 11.629 18.292 ( -0.648 18.232 -0.442) 18.249 18.611 ( -5.867 -2.036 9.633) 11.462 18.816 ( -11.327 1.255 0.887) 11.431 20.311 ( -9.199 -1.462 0.485) 9.327 20.550 ( 2.561 -9.848 1.599) 10.301 20.846 ( -6.840 -11.920 -1.729) 13.851 23.506 ( 15.619 29.213 15.132) 36.419 24.856 ( -12.006 13.773 -16.075) 24.336 25.206 ( 7.006 -16.086 8.803) 19.630 25.760 ( -0.906 -9.412 -5.609) 10.994 28.107 ( -5.255 -1.197 -4.939) 7.310 28.427 ( -2.439 -5.041 -1.535) 5.807 ======================= Grid point 246 (121/128) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 12.866 6.796 -1.704) 14.650 1.540 ( 1.135 3.775 0.924) 4.049 1.919 ( 10.836 11.133 -2.455) 15.729 2.330 ( -8.539 -2.657 -3.480) 9.596 2.424 ( -6.278 6.865 1.902) 9.495 2.606 ( -4.059 14.434 2.533) 15.207 2.701 ( 1.411 7.933 -2.186) 8.349 2.915 ( 1.695 5.136 1.584) 5.635 3.031 ( -8.734 5.334 -2.601) 10.560 3.185 ( -3.113 42.492 -0.326) 42.607 3.378 ( 3.440 -5.983 9.104) 11.424 3.667 ( 4.870 11.672 -10.218) 16.259 3.850 ( 4.008 1.526 2.638) 5.036 3.973 ( -0.605 23.119 2.284) 23.239 4.105 ( -2.671 10.102 -5.345) 11.737 4.492 ( 5.014 6.048 -3.968) 8.801 4.540 ( 2.496 0.061 -2.284) 3.384 4.812 ( -6.203 3.340 2.691) 7.542 5.144 ( 5.205 -4.972 0.903) 7.254 5.621 ( 1.980 -6.456 -2.779) 7.303 5.767 ( -0.964 -0.217 -1.654) 1.927 5.845 ( 3.409 -2.306 0.676) 4.171 6.123 ( -1.476 -0.121 5.399) 5.599 6.201 ( -2.793 -5.468 4.366) 7.534 6.277 ( 2.899 -5.290 2.416) 6.498 6.487 ( -4.974 -3.256 -1.870) 6.232 7.095 ( 10.507 11.477 1.734) 15.657 7.443 ( -2.415 10.024 -1.506) 10.421 7.800 ( 2.434 -3.063 -1.121) 4.070 7.933 ( 6.503 4.692 -1.900) 8.241 8.024 ( -6.791 4.215 -1.580) 8.148 8.333 ( 2.153 10.038 -1.143) 10.330 8.688 ( 1.211 -12.159 1.650) 12.330 8.869 ( -1.229 4.470 2.959) 5.500 8.889 ( 0.934 -1.668 0.107) 1.915 9.061 ( 0.296 -3.268 -0.511) 3.321 9.322 ( -0.800 21.455 -1.855) 21.550 9.427 ( -1.786 4.012 -2.572) 5.090 9.870 ( 3.592 -6.284 6.171) 9.512 10.269 ( -8.133 -3.592 -0.035) 8.890 10.655 ( 3.787 -4.430 4.414) 7.311 10.756 ( -0.508 -5.155 -0.450) 5.200 11.032 ( -3.259 4.084 -2.934) 5.992 11.131 ( 6.420 4.260 -5.649) 9.554 11.279 ( 0.823 12.055 1.087) 12.132 11.370 ( 3.157 -2.038 5.623) 6.763 11.555 ( -6.079 10.512 1.264) 12.209 11.782 ( -5.643 7.349 -1.745) 9.428 11.895 ( 3.401 7.351 -0.928) 8.152 11.997 ( 7.085 -3.367 -6.306) 10.064 12.303 ( -0.785 2.874 -2.269) 3.745 12.362 ( -3.915 5.743 7.976) 10.580 12.738 ( -6.620 -8.460 -1.363) 10.828 13.087 ( -7.318 -13.302 1.077) 15.221 13.500 ( 3.280 -3.780 0.560) 5.036 13.675 ( 0.004 -11.528 -1.119) 11.582 13.930 ( 0.977 1.675 3.989) 4.435 14.340 ( 0.340 -9.493 3.679) 10.187 14.623 ( 0.186 -7.379 1.594) 7.551 14.817 ( 4.129 -12.123 -2.134) 12.983 15.992 ( 10.329 17.827 0.679) 20.614 16.542 ( 1.943 28.709 -5.094) 29.223 16.686 ( -1.804 36.034 2.612) 36.173 17.770 ( 12.307 8.467 2.448) 15.137 17.867 ( -5.222 6.911 -0.213) 8.665 18.045 ( 14.481 1.092 -16.657) 22.099 18.251 ( -4.975 9.295 -1.107) 10.601 18.476 ( -8.669 -0.733 11.213) 14.192 18.625 ( -7.856 11.863 2.009) 14.369 20.137 ( -7.470 1.839 0.008) 7.693 20.584 ( 0.363 -8.020 0.022) 8.028 20.742 ( -3.169 -17.321 -0.124) 17.609 23.650 ( 0.794 25.412 3.702) 25.693 24.783 ( 2.498 15.322 -3.212) 15.854 25.314 ( 3.200 -15.404 4.912) 16.482 25.769 ( 1.697 -10.539 -2.798) 11.035 27.989 ( -5.436 0.866 -3.481) 6.513 28.377 ( -2.258 -4.910 -1.032) 5.502 ======================= Grid point 247 (122/128) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -0.000 5.796 0.000) 5.796 1.611 ( -0.000 6.272 0.000) 6.272 2.121 ( 0.000 2.352 -0.000) 2.352 2.124 ( -0.000 1.346 0.000) 1.346 2.382 ( -0.000 9.598 -0.000) 9.598 2.567 ( -0.000 19.002 -0.000) 19.002 2.739 ( -0.000 9.247 0.000) 9.247 2.831 ( -0.000 -4.298 0.000) 4.298 3.008 ( -0.000 1.143 0.000) 1.143 3.149 ( -0.000 49.260 0.000) 49.260 3.426 ( -0.000 -8.684 0.000) 8.684 3.707 ( -0.000 19.523 -0.000) 19.523 3.845 ( -0.000 6.586 0.000) 6.586 4.030 ( 0.000 18.578 0.000) 18.578 4.057 ( -0.000 4.155 -0.000) 4.155 4.527 ( -0.000 -1.195 0.000) 1.195 4.636 ( -0.000 10.643 -0.000) 10.643 4.697 ( 0.000 1.629 -0.000) 1.629 5.185 ( -0.000 -8.781 0.000) 8.781 5.634 ( -0.000 -6.172 -0.000) 6.172 5.780 ( 0.000 0.244 -0.000) 0.244 5.870 ( -0.000 -0.642 0.000) 0.642 6.077 ( -0.000 3.036 0.000) 3.036 6.213 ( -0.000 -7.803 0.000) 7.803 6.322 ( -0.000 -0.669 0.000) 0.669 6.412 ( -0.000 -8.048 -0.000) 8.048 7.240 ( 0.000 2.009 0.000) 2.009 7.375 ( -0.000 21.289 0.000) 21.289 7.834 ( -0.000 -4.580 0.000) 4.580 7.946 ( -0.000 5.288 0.000) 5.288 8.002 ( -0.000 4.775 0.000) 4.775 8.363 ( -0.000 12.763 0.000) 12.763 8.668 ( -0.000 -4.673 0.000) 4.673 8.868 ( -0.000 -10.851 0.000) 10.851 8.965 ( 0.000 9.173 0.000) 9.173 8.995 ( -0.000 -6.871 0.000) 6.871 9.327 ( -0.000 19.114 0.000) 19.114 9.411 ( -0.000 4.408 0.000) 4.408 9.936 ( -0.000 -5.174 0.000) 5.174 10.162 ( -0.000 -4.086 0.000) 4.086 10.701 ( -0.000 -5.584 0.000) 5.584 10.745 ( -0.000 -4.607 0.000) 4.607 10.996 ( -0.000 5.005 0.000) 5.005 11.199 ( -0.000 7.911 0.000) 7.911 11.302 ( -0.000 4.018 -0.000) 4.018 11.425 ( 0.000 14.982 0.000) 14.982 11.464 ( -0.000 -4.325 -0.000) 4.325 11.701 ( -0.000 9.342 0.000) 9.342 11.909 ( -0.000 2.200 -0.000) 2.200 12.133 ( -0.000 4.624 0.000) 4.624 12.277 ( -0.000 4.590 0.000) 4.590 12.317 ( -0.000 2.463 0.000) 2.463 12.662 ( -0.000 -8.022 0.000) 8.022 13.014 ( -0.000 -13.392 0.000) 13.392 13.532 ( -0.000 -4.015 0.000) 4.015 13.676 ( -0.000 -11.496 0.000) 11.496 13.941 ( -0.000 1.583 0.000) 1.583 14.346 ( -0.000 -9.229 -0.000) 9.229 14.625 ( -0.000 -7.163 0.000) 7.163 14.855 ( -0.000 -13.438 0.000) 13.438 16.116 ( -0.000 18.554 0.000) 18.554 16.539 ( -0.000 3.954 0.000) 3.954 16.673 ( -0.000 65.971 0.000) 65.971 17.809 ( -0.000 6.134 0.000) 6.134 17.969 ( -0.000 1.564 0.000) 1.564 18.124 ( 0.000 1.742 0.000) 1.742 18.266 ( 0.000 4.192 -0.000) 4.192 18.320 ( -0.000 -2.377 0.000) 2.377 18.547 ( -0.000 21.237 0.000) 21.237 20.060 ( -0.000 2.630 -0.000) 2.630 20.579 ( -0.000 -5.286 0.000) 5.286 20.718 ( -0.000 -21.017 0.000) 21.017 23.645 ( -0.000 25.123 0.000) 25.123 24.824 ( -0.000 14.703 0.000) 14.703 25.344 ( -0.000 -15.604 0.000) 15.604 25.790 ( -0.000 -10.400 -0.000) 10.400 27.930 ( -0.000 1.788 0.000) 1.788 28.353 ( -0.000 -4.931 0.000) 4.931 ======================= Grid point 253 (123/128) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -0.000 5.292 0.000) 5.292 1.616 ( 0.000 -3.364 0.000) 3.364 2.263 ( -0.000 5.579 0.000) 5.579 2.326 ( 0.000 0.001 0.000) 0.001 2.578 ( 0.000 7.611 0.000) 7.611 2.720 ( -0.000 2.424 0.000) 2.424 2.739 ( -0.000 -7.917 0.000) 7.917 2.742 ( 0.000 0.575 -0.000) 0.575 3.234 ( -0.000 4.191 0.000) 4.191 3.301 ( 0.000 -2.122 0.000) 2.122 3.819 ( 0.000 12.581 -0.000) 12.581 3.866 ( 0.000 23.992 0.000) 23.992 4.053 ( -0.000 -0.336 0.000) 0.336 4.305 ( 0.000 -10.563 0.000) 10.563 4.421 ( 0.000 23.757 0.000) 23.757 4.804 ( -0.000 11.568 0.000) 11.568 4.827 ( 0.000 0.993 0.000) 0.993 4.844 ( 0.000 -12.942 0.000) 12.942 4.949 ( 0.000 23.852 0.000) 23.852 5.031 ( 0.000 1.496 0.000) 1.496 5.166 ( -0.000 -9.879 0.000) 9.879 5.552 ( 0.000 -19.651 0.000) 19.651 5.869 ( -0.000 6.913 0.000) 6.913 5.987 ( 0.000 -8.355 0.000) 8.355 6.649 ( -0.000 3.550 0.000) 3.550 6.682 ( -0.000 3.759 0.000) 3.759 6.869 ( 0.000 1.880 0.000) 1.880 7.000 ( 0.000 -5.725 0.000) 5.725 7.412 ( -0.000 6.386 0.000) 6.386 7.594 ( 0.000 -11.591 0.000) 11.591 8.042 ( -0.000 -4.097 0.000) 4.097 8.055 ( 0.000 -4.020 0.000) 4.020 8.727 ( 0.000 6.844 0.000) 6.844 8.813 ( -0.000 -0.964 0.000) 0.964 9.296 ( -0.000 -2.333 0.000) 2.333 9.352 ( 0.000 -7.816 0.000) 7.816 9.542 ( -0.000 13.170 -0.000) 13.170 9.681 ( -0.000 9.299 0.000) 9.299 9.825 ( 0.000 -11.812 0.000) 11.812 9.887 ( -0.000 -8.015 -0.000) 8.015 10.559 ( 0.000 4.006 0.000) 4.006 10.693 ( -0.000 -8.744 0.000) 8.744 10.952 ( 0.000 10.060 0.000) 10.060 11.176 ( -0.000 -11.896 -0.000) 11.896 11.209 ( 0.000 6.828 0.000) 6.828 11.303 ( -0.000 -1.034 0.000) 1.034 11.597 ( -0.000 7.387 0.000) 7.387 11.733 ( -0.000 -4.357 0.000) 4.357 12.243 ( 0.000 1.622 0.000) 1.622 12.291 ( 0.000 -1.172 -0.000) 1.172 12.455 ( -0.000 14.012 0.000) 14.012 12.516 ( -0.000 8.862 0.000) 8.862 13.022 ( -0.000 -11.681 -0.000) 11.681 13.040 ( 0.000 -11.118 0.000) 11.118 13.630 ( 0.000 11.168 0.000) 11.168 13.710 ( -0.000 -0.490 0.000) 0.490 13.864 ( -0.000 -4.239 0.000) 4.239 13.954 ( 0.000 -11.240 -0.000) 11.240 14.457 ( -0.000 1.716 0.000) 1.716 14.516 ( -0.000 -4.094 0.000) 4.094 15.829 ( 0.000 20.017 0.000) 20.017 16.178 ( -0.000 -15.374 0.000) 15.374 17.328 ( -0.000 5.220 0.000) 5.220 17.431 ( 0.000 -5.436 0.000) 5.436 17.855 ( 0.000 34.556 0.000) 34.556 18.359 ( -0.000 -17.809 0.000) 17.809 18.548 ( 0.000 13.064 0.000) 13.064 18.702 ( -0.000 -2.813 0.000) 2.813 19.773 ( -0.000 15.232 0.000) 15.232 20.013 ( 0.000 -6.637 0.000) 6.637 20.451 ( 0.000 11.054 0.000) 11.054 20.780 ( -0.000 -19.274 0.000) 19.274 23.375 ( 0.000 52.906 0.000) 52.906 24.248 ( 0.000 -37.554 0.000) 37.554 25.929 ( -0.000 4.019 0.000) 4.019 26.073 ( 0.000 -11.515 0.000) 11.515 28.062 ( -0.000 10.676 0.000) 10.676 28.285 ( -0.000 -11.538 0.000) 11.538 ======================= Grid point 255 (124/128) ======================= q-point: ( 0.10 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -6.955 7.395 -1.054) 10.207 1.566 ( -4.035 -5.014 -1.494) 6.606 2.270 ( -2.575 6.535 -2.257) 7.378 2.356 ( 2.684 -1.667 3.168) 4.474 2.537 ( -1.549 9.518 -4.199) 10.518 2.698 ( -3.027 -7.490 3.016) 8.624 2.841 ( 11.200 1.905 -8.617) 14.259 2.850 ( 10.630 0.423 2.161) 10.856 3.161 ( -6.843 4.610 -5.265) 9.787 3.226 ( -6.115 -2.214 -5.908) 8.786 3.849 ( 0.542 8.052 0.815) 8.111 3.865 ( -0.980 16.805 4.772) 17.497 4.003 ( -4.041 9.498 -2.764) 10.686 4.304 ( -0.413 -8.342 -1.405) 8.469 4.380 ( -1.832 19.105 -1.431) 19.246 4.675 ( -8.941 -5.472 0.591) 10.499 4.759 ( -3.083 14.051 2.355) 14.577 4.895 ( 0.535 -3.195 1.761) 3.687 4.976 ( 2.737 21.848 0.292) 22.021 5.140 ( 8.372 -1.947 -0.756) 8.628 5.269 ( 8.881 -8.138 -1.289) 12.115 5.613 ( 5.249 -22.316 0.424) 22.929 5.910 ( 3.392 4.568 3.980) 6.944 5.975 ( -0.996 -4.797 0.408) 4.917 6.628 ( -2.381 3.163 1.708) 4.312 6.666 ( -1.803 1.518 1.343) 2.713 6.880 ( 2.645 8.671 -0.048) 9.065 7.091 ( 7.661 -8.631 3.294) 12.002 7.453 ( 4.319 5.827 -0.894) 7.308 7.612 ( 2.074 -9.708 0.502) 9.940 8.078 ( 3.864 -3.025 -2.050) 5.318 8.106 ( 4.991 -4.976 -1.323) 7.171 8.739 ( -0.023 6.477 -0.390) 6.489 8.787 ( -2.208 2.023 -0.971) 3.148 9.166 ( -11.569 -3.306 0.202) 12.033 9.194 ( -7.829 -6.817 -0.395) 10.389 9.543 ( -2.538 7.340 -7.302) 10.660 9.670 ( -3.382 -3.453 -4.676) 6.725 9.885 ( 10.546 9.702 4.354) 14.976 10.120 ( 14.290 -12.440 10.203) 21.519 10.547 ( -1.248 2.616 1.141) 3.115 10.645 ( -4.267 -6.090 -1.480) 7.582 10.957 ( 0.665 7.763 -2.390) 8.150 11.143 ( -1.423 -7.949 -4.958) 9.476 11.215 ( 1.200 8.434 1.072) 8.586 11.377 ( 4.057 -5.835 5.110) 8.753 11.591 ( 0.790 8.854 1.202) 8.970 11.750 ( 1.329 -5.360 1.214) 5.654 12.152 ( -6.151 7.231 -7.443) 12.063 12.284 ( -0.881 -3.591 -5.140) 6.332 12.424 ( -3.287 17.433 -0.601) 17.750 12.617 ( 7.214 2.332 4.343) 8.737 12.949 ( -7.029 -8.708 1.279) 11.263 13.049 ( 0.492 -12.614 5.068) 13.603 13.528 ( -7.095 6.364 5.980) 11.252 13.669 ( -7.175 -7.772 0.941) 10.619 13.872 ( 3.907 5.566 -0.338) 6.809 14.041 ( 5.359 -10.557 0.862) 11.871 14.450 ( -0.294 1.486 -0.500) 1.595 14.510 ( -0.247 -4.492 1.004) 4.609 15.866 ( 3.721 19.672 0.377) 20.024 16.213 ( 3.389 -15.505 -0.615) 15.883 17.319 ( -1.087 7.086 -3.298) 7.891 17.430 ( 1.604 -3.819 -4.510) 6.124 17.884 ( 2.710 32.943 1.973) 33.113 18.348 ( -0.994 -13.156 -0.305) 13.197 18.528 ( -2.220 10.569 1.859) 10.959 18.683 ( -2.047 -3.462 1.846) 4.426 19.563 ( -14.388 24.196 -2.718) 28.282 20.027 ( -1.493 -20.092 -1.028) 20.174 20.547 ( 6.436 9.496 1.822) 11.615 20.794 ( 0.483 -14.977 -0.196) 14.986 23.518 ( 13.462 49.281 11.267) 52.314 24.337 ( 8.455 -35.361 8.093) 37.248 25.820 ( -11.998 1.333 -8.071) 14.522 25.889 ( -14.407 -5.625 -10.456) 18.669 28.119 ( 4.489 7.653 -0.520) 8.888 28.303 ( 1.409 -10.257 -0.650) 10.374 ======================= Grid point 256 (125/128) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -1.832 9.810 -3.291) 10.508 1.503 ( -1.568 -6.518 -2.761) 7.250 2.140 ( -7.969 12.928 0.488) 15.195 2.367 ( -2.766 -9.650 2.118) 10.260 2.575 ( 5.045 7.046 -6.029) 10.557 2.672 ( 1.015 -2.776 -0.912) 3.093 2.979 ( -7.601 3.468 -2.097) 8.614 3.030 ( -0.677 -0.756 -0.671) 1.217 3.137 ( 7.600 1.275 -3.533) 8.478 3.147 ( 13.705 1.205 -5.619) 14.861 3.758 ( -8.527 5.167 0.128) 9.971 3.791 ( -7.481 1.322 0.940) 7.655 3.962 ( 0.090 27.116 -3.073) 27.290 4.297 ( 0.679 -1.939 -5.049) 5.451 4.392 ( 1.811 4.646 -0.168) 4.989 4.531 ( -5.614 -2.702 -0.897) 6.295 4.712 ( -2.298 18.766 4.224) 19.373 4.897 ( 0.236 -2.928 3.445) 4.527 5.033 ( 2.833 19.697 1.385) 19.947 5.300 ( 7.596 -6.039 -1.850) 9.878 5.453 ( 10.088 -5.731 -2.963) 11.974 5.696 ( 2.278 -24.378 -1.363) 24.522 5.959 ( 0.521 1.313 2.712) 3.058 5.983 ( 2.455 -0.453 5.213) 5.780 6.558 ( -4.985 3.719 2.524) 6.712 6.614 ( -3.659 -1.502 0.865) 4.049 6.986 ( 7.724 14.729 2.943) 16.890 7.255 ( 8.192 -9.942 5.040) 13.834 7.570 ( 7.586 3.862 -1.967) 8.737 7.681 ( 5.167 -5.815 -0.138) 7.781 8.174 ( 5.776 -0.865 -3.123) 6.623 8.232 ( 7.922 -5.188 -1.614) 9.606 8.635 ( -8.218 9.450 -3.098) 12.901 8.787 ( -0.393 -2.452 -2.968) 3.870 8.973 ( -6.770 -0.404 1.504) 6.947 9.102 ( -2.870 -9.655 0.688) 10.096 9.473 ( -2.698 8.332 -4.094) 9.668 9.609 ( -2.150 -5.180 -1.864) 5.910 10.051 ( 4.056 16.087 6.324) 17.755 10.330 ( 4.257 -11.969 10.990) 16.798 10.522 ( -1.073 0.195 1.110) 1.557 10.575 ( -0.942 -4.659 -1.946) 5.136 10.983 ( 2.524 4.829 -4.313) 6.949 11.128 ( -0.045 -8.631 -4.743) 9.848 11.268 ( 4.195 12.029 0.011) 12.740 11.413 ( 0.689 0.044 1.713) 1.847 11.667 ( 5.731 2.317 4.341) 7.554 11.778 ( 1.297 -6.048 1.543) 6.375 12.043 ( -3.897 12.387 -8.497) 15.518 12.250 ( -2.445 -2.845 -3.685) 5.258 12.334 ( -5.255 16.408 -3.787) 17.640 12.709 ( -1.125 -14.050 -1.823) 14.212 12.782 ( -7.690 7.590 6.198) 12.456 13.059 ( -1.069 -15.469 7.729) 17.326 13.415 ( -4.223 3.705 3.361) 6.546 13.531 ( -5.321 -8.355 -0.121) 9.906 13.943 ( 2.600 7.215 3.974) 8.638 14.117 ( 1.969 -10.343 4.854) 11.594 14.468 ( 2.505 0.556 -0.450) 2.605 14.523 ( 1.749 -4.814 -0.209) 5.127 15.966 ( 6.440 18.224 0.417) 19.332 16.295 ( 5.009 -15.393 -0.532) 16.196 17.311 ( 2.031 16.169 -5.830) 17.308 17.514 ( 7.418 -6.377 -8.894) 13.221 17.948 ( 3.331 29.075 2.226) 29.349 18.310 ( -3.598 -3.081 0.056) 4.737 18.471 ( -3.468 4.651 3.381) 6.715 18.624 ( -4.364 -5.769 4.038) 8.284 19.328 ( -9.191 31.876 -2.601) 33.277 19.983 ( -2.054 -30.461 -1.392) 30.561 20.598 ( -1.704 6.673 1.439) 7.036 20.764 ( -3.866 -10.217 -0.988) 10.969 23.851 ( 17.896 41.326 17.185) 48.202 24.557 ( 12.371 -30.792 12.726) 35.541 25.459 ( -19.088 9.898 -16.014) 26.810 25.660 ( -9.761 -9.940 -10.417) 17.395 28.177 ( 0.871 4.862 -2.197) 5.406 28.318 ( -0.146 -8.603 -1.558) 8.744 ======================= Grid point 257 (126/128) ======================= q-point: ( 0.30 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 6.630 8.106 -3.256) 10.966 1.510 ( 2.401 -3.968 -1.481) 4.869 2.059 ( 0.446 13.995 -0.292) 14.005 2.297 ( -3.197 -10.444 1.558) 11.033 2.640 ( -3.048 2.542 -5.533) 6.809 2.680 ( 0.278 -1.269 -5.220) 5.379 2.845 ( -3.336 5.640 -2.141) 6.894 2.950 ( -0.797 -3.192 2.494) 4.128 3.284 ( -0.411 6.872 0.313) 6.892 3.357 ( 0.549 -0.008 7.039) 7.060 3.650 ( 1.898 3.031 -4.917) 6.080 3.681 ( 2.045 -0.118 -2.645) 3.346 3.967 ( 0.225 28.532 -2.595) 28.651 4.310 ( 0.484 0.852 -7.878) 7.939 4.400 ( -1.269 -2.787 1.491) 3.406 4.469 ( -0.694 -2.176 -4.259) 4.833 4.674 ( -1.404 22.610 4.889) 23.175 4.916 ( 1.163 -4.826 2.081) 5.383 5.071 ( -0.007 15.533 3.457) 15.913 5.408 ( 3.283 -10.340 -1.160) 10.910 5.647 ( 9.966 -4.506 -3.607) 11.517 5.706 ( 0.612 -12.691 -4.008) 13.323 5.982 ( 1.568 -0.152 3.150) 3.522 6.031 ( 2.151 -4.875 4.938) 7.265 6.448 ( -6.422 5.403 3.032) 8.924 6.530 ( -4.998 -3.173 0.340) 5.930 7.150 ( 8.186 14.049 4.442) 16.856 7.393 ( 5.474 -8.702 4.618) 11.270 7.709 ( 6.221 2.400 -1.825) 6.913 7.814 ( 8.323 -4.145 -1.452) 9.411 8.265 ( 2.758 7.349 -3.937) 8.781 8.385 ( 6.959 -2.524 -1.350) 7.525 8.501 ( -3.218 6.666 -2.461) 7.801 8.718 ( -4.995 -12.460 -4.181) 14.060 8.923 ( -0.786 3.104 2.773) 4.236 9.047 ( -2.906 -7.021 0.058) 7.599 9.461 ( 1.622 8.296 -0.979) 8.509 9.604 ( 1.841 -5.327 3.160) 6.461 10.027 ( -5.885 19.121 3.887) 20.380 10.303 ( -5.898 -8.851 6.587) 12.511 10.534 ( 2.462 -0.042 1.601) 2.937 10.606 ( 2.336 -7.123 -0.061) 7.497 11.035 ( 2.461 2.472 -0.126) 3.490 11.136 ( 1.838 -5.695 -1.862) 6.267 11.336 ( 2.401 10.158 -4.979) 11.565 11.465 ( 4.194 3.666 0.455) 5.589 11.744 ( 0.188 -1.528 0.890) 1.778 11.804 ( 1.573 -3.416 3.535) 5.161 12.014 ( 2.273 14.754 -7.451) 16.685 12.159 ( -6.369 15.364 0.347) 16.635 12.273 ( 0.136 -4.565 -7.801) 9.039 12.530 ( -10.875 -12.687 0.654) 16.723 12.731 ( -3.365 7.060 3.470) 8.556 12.980 ( -7.337 -14.996 6.653) 17.972 13.401 ( 2.006 1.602 0.482) 2.612 13.480 ( -0.530 -7.327 -1.343) 7.468 13.979 ( 0.973 6.130 6.481) 8.974 14.136 ( 0.080 -9.846 6.596) 11.852 14.524 ( 2.517 -0.360 -0.233) 2.553 14.576 ( 3.497 -5.245 -1.629) 6.511 16.112 ( 8.701 16.122 0.072) 18.320 16.402 ( 5.972 -13.539 -0.449) 14.804 17.408 ( 8.296 23.736 -7.496) 26.237 17.681 ( 10.089 -7.570 -8.628) 15.282 18.005 ( 2.350 19.947 -0.877) 20.104 18.205 ( -6.686 6.073 2.198) 9.296 18.398 ( -5.126 -0.404 1.787) 5.443 18.532 ( -5.206 -6.801 6.684) 10.864 19.203 ( -4.029 37.342 -1.542) 37.590 19.951 ( -1.411 -34.073 -0.841) 34.113 20.515 ( -5.730 5.196 1.086) 7.811 20.652 ( -7.046 -8.425 -1.336) 11.064 24.153 ( 10.258 35.481 14.097) 39.533 24.781 ( 8.400 -28.062 11.650) 31.524 25.174 ( -7.583 18.222 -12.035) 23.117 25.514 ( -3.814 -15.942 -8.535) 18.480 28.145 ( -3.499 5.319 -3.115) 7.088 28.289 ( -2.511 -8.506 -2.052) 9.104 ======================= Grid point 258 (127/128) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 9.405 3.658 -0.220) 10.094 1.586 ( 5.024 0.710 -0.012) 5.074 2.113 ( 2.880 8.352 -2.112) 9.083 2.244 ( -4.210 -5.572 -2.002) 7.265 2.528 ( -2.289 6.112 -0.098) 6.527 2.649 ( -0.699 -5.109 -1.901) 5.496 2.871 ( 2.947 7.768 -2.026) 8.552 2.976 ( 0.239 -1.933 -1.160) 2.267 3.108 ( -13.568 6.663 1.597) 15.200 3.246 ( -5.858 -7.082 6.330) 11.160 3.784 ( 8.365 5.351 -2.076) 10.144 3.836 ( 8.164 -0.484 1.193) 8.265 3.963 ( -0.355 28.925 -2.451) 29.031 4.288 ( -1.623 9.922 -6.204) 11.814 4.366 ( -2.011 -5.156 0.639) 5.571 4.471 ( 0.804 -3.476 -4.832) 6.007 4.702 ( 4.321 18.473 2.701) 19.163 4.935 ( 0.296 0.861 -0.449) 1.015 5.016 ( -5.465 5.305 4.843) 9.026 5.413 ( -1.894 -18.516 0.545) 18.621 5.756 ( 4.183 0.487 -4.519) 6.177 5.798 ( 5.177 -2.756 -1.989) 6.193 6.030 ( 3.282 -1.807 1.549) 4.054 6.081 ( 2.800 -6.118 2.622) 7.221 6.334 ( -4.909 5.741 2.481) 7.951 6.424 ( -6.007 -3.680 0.480) 7.061 7.286 ( 5.252 10.284 3.206) 11.984 7.469 ( 2.205 -6.838 2.480) 7.600 7.804 ( 3.780 4.876 -1.137) 6.273 7.955 ( 5.314 -6.919 -1.108) 8.794 8.244 ( -2.759 18.641 -3.777) 19.219 8.474 ( 4.335 2.525 -4.407) 6.677 8.546 ( 3.843 -1.526 2.629) 4.900 8.631 ( -3.474 -14.415 -1.307) 14.886 8.895 ( -1.822 0.553 1.759) 2.592 8.998 ( -2.450 -7.335 -0.826) 7.778 9.528 ( 5.222 10.041 0.740) 11.342 9.674 ( 3.934 -2.579 4.757) 6.690 9.898 ( -6.018 15.899 0.451) 17.006 10.162 ( -8.273 -9.114 1.677) 12.422 10.592 ( 2.666 -0.881 1.460) 3.164 10.637 ( 0.803 -5.229 0.446) 5.309 11.067 ( 0.982 4.718 2.147) 5.275 11.207 ( 4.857 -6.944 2.294) 8.779 11.378 ( 3.072 9.186 -6.608) 11.726 11.505 ( -0.625 3.497 -1.847) 4.004 11.684 ( -5.225 5.961 -0.220) 7.929 11.837 ( 1.680 -3.546 2.862) 4.857 12.015 ( -4.883 12.865 0.539) 13.771 12.135 ( 5.478 9.372 -5.482) 12.161 12.308 ( 3.602 -3.429 -6.114) 7.882 12.379 ( -3.193 -9.769 1.054) 10.331 12.627 ( -7.660 5.188 3.180) 9.783 12.838 ( -6.784 -12.812 4.266) 15.112 13.447 ( 2.019 -1.197 0.160) 2.352 13.483 ( 0.435 -5.940 -1.483) 6.138 13.998 ( 0.459 5.198 4.616) 6.967 14.145 ( 0.341 -9.815 4.525) 10.813 14.556 ( 0.978 0.538 -0.356) 1.172 14.632 ( 2.080 -6.942 -1.271) 7.358 16.286 ( 8.506 13.387 -0.147) 15.861 16.503 ( 3.783 -8.712 -0.538) 9.513 17.586 ( 9.817 28.383 -6.024) 30.631 17.856 ( 7.892 -3.719 -2.999) 9.226 17.995 ( -4.756 7.934 -2.276) 9.526 18.130 ( 0.576 0.310 -1.228) 1.391 18.281 ( -5.455 5.091 -0.283) 7.466 18.433 ( -6.149 -5.252 8.334) 11.612 19.155 ( -1.192 40.143 -0.373) 40.162 19.921 ( -1.602 -31.390 -0.357) 31.433 20.423 ( -3.311 0.532 0.853) 3.460 20.522 ( -5.527 -7.302 -0.947) 9.207 24.251 ( 0.514 34.634 4.746) 34.962 24.873 ( 1.281 -26.592 4.827) 27.057 25.147 ( 2.940 17.672 -2.532) 18.093 25.501 ( 1.941 -16.998 -3.045) 17.377 28.064 ( -3.801 7.003 -2.334) 8.302 28.233 ( -2.624 -9.310 -1.503) 9.788 ======================= Grid point 259 (128/128) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -0.000 3.737 0.000) 3.737 1.679 ( -0.000 0.708 0.000) 0.708 2.144 ( -0.000 0.657 0.000) 0.657 2.147 ( 0.000 0.437 -0.000) 0.437 2.548 ( -0.000 8.612 -0.000) 8.612 2.709 ( -0.000 -7.754 0.000) 7.754 2.833 ( -0.000 9.088 0.000) 9.088 2.946 ( -0.000 4.798 0.000) 4.798 2.967 ( -0.000 3.344 0.000) 3.344 3.207 ( -0.000 -12.724 0.000) 12.724 3.887 ( 0.000 3.323 0.000) 3.323 3.909 ( -0.000 3.445 0.000) 3.445 3.954 ( -0.000 28.606 -0.000) 28.606 4.268 ( -0.000 15.113 0.000) 15.113 4.341 ( -0.000 -5.961 0.000) 5.961 4.478 ( -0.000 -3.516 0.000) 3.516 4.803 ( -0.000 7.280 -0.000) 7.280 4.876 ( -0.000 24.625 0.000) 24.625 4.970 ( -0.000 -11.207 0.000) 11.207 5.387 ( -0.000 -21.434 0.000) 21.434 5.803 ( -0.000 1.981 -0.000) 1.981 5.842 ( -0.000 -1.799 0.000) 1.799 6.083 ( 0.000 -2.071 0.000) 2.071 6.111 ( 0.000 -1.795 0.000) 1.795 6.313 ( 0.000 -0.992 0.000) 0.992 6.321 ( -0.000 -0.417 0.000) 0.417 7.342 ( -0.000 7.850 0.000) 7.850 7.489 ( -0.000 -5.379 0.000) 5.379 7.843 ( -0.000 5.932 0.000) 5.932 8.002 ( -0.000 -6.356 -0.000) 6.356 8.214 ( -0.000 18.790 0.000) 18.790 8.539 ( 0.000 -4.092 -0.000) 4.092 8.561 ( -0.000 0.986 0.000) 0.986 8.601 ( -0.000 -7.528 -0.000) 7.528 8.883 ( -0.000 -2.843 0.000) 2.843 8.961 ( -0.000 -7.522 0.000) 7.522 9.622 ( -0.000 10.921 0.000) 10.921 9.682 ( -0.000 11.427 0.000) 11.427 9.863 ( -0.000 1.379 0.000) 1.379 10.050 ( -0.000 -9.297 0.000) 9.297 10.621 ( -0.000 -1.934 0.000) 1.934 10.642 ( -0.000 -3.964 0.000) 3.964 11.078 ( -0.000 7.227 0.000) 7.227 11.273 ( -0.000 -10.623 0.000) 10.623 11.426 ( -0.000 5.071 0.000) 5.071 11.475 ( -0.000 7.512 -0.000) 7.512 11.610 ( 0.000 11.571 -0.000) 11.571 11.867 ( -0.000 -7.868 -0.000) 7.868 11.949 ( -0.000 15.262 0.000) 15.262 12.183 ( -0.000 -3.935 0.000) 3.935 12.355 ( -0.000 1.883 0.000) 1.883 12.439 ( -0.000 -10.978 0.000) 10.978 12.473 ( 0.000 14.520 -0.000) 14.520 12.766 ( -0.000 -13.693 0.000) 13.693 13.467 ( -0.000 -2.087 0.000) 2.087 13.487 ( -0.000 -5.434 0.000) 5.434 14.004 ( -0.000 5.016 0.000) 5.016 14.151 ( -0.000 -9.933 0.000) 9.933 14.565 ( -0.000 0.995 0.000) 0.995 14.651 ( -0.000 -7.631 0.000) 7.631 16.384 ( -0.000 10.843 0.000) 10.843 16.534 ( -0.000 -4.345 0.000) 4.345 17.711 ( -0.000 33.634 0.000) 33.634 17.896 ( 0.000 2.665 0.000) 2.665 17.968 ( -0.000 -0.239 0.000) 0.239 18.108 ( 0.000 -6.931 0.000) 6.931 18.295 ( 0.000 1.362 -0.000) 1.362 18.319 ( -0.000 0.581 0.000) 0.581 19.145 ( -0.000 40.784 0.000) 40.784 19.902 ( -0.000 -28.567 0.000) 28.567 20.394 ( -0.000 -3.423 0.000) 3.423 20.464 ( -0.000 -6.240 0.000) 6.240 24.248 ( -0.000 35.155 0.000) 35.155 24.882 ( -0.000 -26.904 0.000) 26.904 25.186 ( -0.000 16.584 0.000) 16.584 25.528 ( -0.000 -16.544 0.000) 16.544 28.023 ( -0.000 7.854 0.000) 7.854 28.205 ( -0.000 -9.770 0.000) 9.770 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32760 10.0 205.970 214.882 129.464 0.000 58.791 0.000 3/32760 20.0 71.230 93.650 53.321 0.000 13.818 0.000 3/32760 30.0 39.971 65.978 33.811 0.000 6.148 0.000 3/32760 40.0 27.178 50.012 24.591 0.000 3.611 0.000 3/32760 50.0 20.385 39.818 19.157 0.000 2.428 0.000 3/32760 60.0 16.208 32.808 15.567 0.000 1.768 0.000 3/32760 70.0 13.385 27.701 13.017 0.000 1.359 0.000 3/32760 80.0 11.352 23.829 11.114 0.000 1.089 0.000 3/32760 90.0 9.821 20.807 9.648 0.000 0.900 0.000 3/32760 100.0 8.631 18.400 8.489 0.000 0.763 0.000 3/32760 110.0 7.682 16.449 7.555 0.000 0.660 0.000 3/32760 120.0 6.911 14.844 6.792 0.000 0.580 0.000 3/32760 130.0 6.274 13.509 6.159 0.000 0.517 0.000 3/32760 140.0 5.742 12.384 5.628 0.000 0.466 0.000 3/32760 150.0 5.291 11.427 5.178 0.000 0.424 0.000 3/32760 160.0 4.905 10.606 4.793 0.000 0.390 0.000 3/32760 170.0 4.572 9.895 4.460 0.000 0.361 0.000 3/32760 180.0 4.282 9.274 4.171 0.000 0.336 0.000 3/32760 190.0 4.028 8.728 3.917 0.000 0.315 0.000 3/32760 200.0 3.803 8.244 3.693 0.000 0.297 0.000 3/32760 210.0 3.603 7.813 3.494 0.000 0.281 0.000 3/32760 220.0 3.424 7.427 3.316 0.000 0.268 0.000 3/32760 230.0 3.263 7.079 3.157 0.000 0.255 0.000 3/32760 240.0 3.117 6.763 3.012 0.000 0.245 0.000 3/32760 250.0 2.984 6.476 2.881 0.000 0.235 0.000 3/32760 260.0 2.863 6.213 2.762 0.000 0.227 0.000 3/32760 270.0 2.752 5.972 2.653 0.000 0.219 0.000 3/32760 280.0 2.650 5.750 2.552 0.000 0.212 0.000 3/32760 290.0 2.556 5.544 2.460 0.000 0.205 0.000 3/32760 300.0 2.469 5.354 2.374 0.000 0.200 0.000 3/32760 310.0 2.387 5.176 2.294 0.000 0.194 0.000 3/32760 320.0 2.312 5.011 2.220 0.000 0.189 0.000 3/32760 330.0 2.241 4.856 2.151 0.000 0.184 0.000 3/32760 340.0 2.175 4.711 2.086 0.000 0.180 0.000 3/32760 350.0 2.112 4.575 2.025 0.000 0.176 0.000 3/32760 360.0 2.054 4.446 1.968 0.000 0.172 0.000 3/32760 370.0 1.998 4.325 1.915 0.000 0.168 0.000 3/32760 380.0 1.946 4.211 1.864 0.000 0.165 0.000 3/32760 390.0 1.897 4.103 1.816 0.000 0.161 0.000 3/32760 400.0 1.850 4.000 1.770 0.000 0.158 0.000 3/32760 410.0 1.805 3.902 1.727 0.000 0.155 0.000 3/32760 420.0 1.763 3.809 1.686 0.000 0.152 0.000 3/32760 430.0 1.722 3.721 1.647 0.000 0.149 0.000 3/32760 440.0 1.684 3.637 1.609 0.000 0.147 0.000 3/32760 450.0 1.647 3.556 1.574 0.000 0.144 0.000 3/32760 460.0 1.612 3.479 1.540 0.000 0.142 0.000 3/32760 470.0 1.578 3.405 1.507 0.000 0.139 0.000 3/32760 480.0 1.546 3.335 1.476 0.000 0.137 0.000 3/32760 490.0 1.515 3.267 1.447 0.000 0.135 0.000 3/32760 500.0 1.485 3.202 1.418 0.000 0.133 0.000 3/32760 510.0 1.457 3.140 1.390 0.000 0.131 0.000 3/32760 520.0 1.429 3.080 1.364 0.000 0.129 0.000 3/32760 530.0 1.403 3.022 1.339 0.000 0.127 0.000 3/32760 540.0 1.377 2.967 1.314 0.000 0.125 0.000 3/32760 550.0 1.353 2.913 1.291 0.000 0.123 0.000 3/32760 560.0 1.329 2.862 1.268 0.000 0.121 0.000 3/32760 570.0 1.306 2.812 1.246 0.000 0.119 0.000 3/32760 580.0 1.284 2.764 1.225 0.000 0.118 0.000 3/32760 590.0 1.263 2.718 1.204 0.000 0.116 0.000 3/32760 600.0 1.242 2.673 1.184 0.000 0.114 0.000 3/32760 610.0 1.222 2.629 1.165 0.000 0.113 0.000 3/32760 620.0 1.203 2.587 1.147 0.000 0.111 0.000 3/32760 630.0 1.184 2.547 1.129 0.000 0.110 0.000 3/32760 640.0 1.166 2.507 1.111 0.000 0.108 0.000 3/32760 650.0 1.148 2.469 1.095 0.000 0.107 0.000 3/32760 660.0 1.131 2.432 1.078 0.000 0.106 0.000 3/32760 670.0 1.115 2.396 1.062 0.000 0.104 0.000 3/32760 680.0 1.099 2.361 1.047 0.000 0.103 0.000 3/32760 690.0 1.083 2.327 1.032 0.000 0.102 0.000 3/32760 700.0 1.068 2.294 1.017 0.000 0.100 0.000 3/32760 710.0 1.053 2.262 1.003 0.000 0.099 0.000 3/32760 720.0 1.039 2.231 0.990 0.000 0.098 0.000 3/32760 730.0 1.025 2.201 0.976 0.000 0.097 0.000 3/32760 740.0 1.011 2.171 0.963 0.000 0.096 0.000 3/32760 750.0 0.998 2.142 0.951 0.000 0.095 0.000 3/32760 760.0 0.985 2.114 0.938 0.000 0.094 0.000 3/32760 770.0 0.972 2.087 0.926 0.000 0.092 0.000 3/32760 780.0 0.960 2.061 0.914 0.000 0.091 0.000 3/32760 790.0 0.948 2.035 0.903 0.000 0.090 0.000 3/32760 800.0 0.937 2.010 0.892 0.000 0.089 0.000 3/32760 810.0 0.925 1.985 0.881 0.000 0.088 0.000 3/32760 820.0 0.914 1.961 0.870 0.000 0.087 0.000 3/32760 830.0 0.903 1.937 0.860 0.000 0.087 0.000 3/32760 840.0 0.893 1.915 0.850 0.000 0.086 0.000 3/32760 850.0 0.882 1.892 0.840 0.000 0.085 0.000 3/32760 860.0 0.872 1.870 0.830 0.000 0.084 0.000 3/32760 870.0 0.862 1.849 0.821 0.000 0.083 0.000 3/32760 880.0 0.853 1.828 0.812 0.000 0.082 0.000 3/32760 890.0 0.843 1.808 0.803 0.000 0.081 0.000 3/32760 900.0 0.834 1.788 0.794 0.000 0.080 0.000 3/32760 910.0 0.825 1.768 0.785 0.000 0.080 0.000 3/32760 920.0 0.816 1.749 0.777 0.000 0.079 0.000 3/32760 930.0 0.807 1.731 0.769 0.000 0.078 0.000 3/32760 940.0 0.799 1.712 0.760 0.000 0.077 0.000 3/32760 950.0 0.791 1.694 0.753 0.000 0.077 0.000 3/32760 960.0 0.783 1.677 0.745 0.000 0.076 0.000 3/32760 970.0 0.775 1.660 0.737 0.000 0.075 0.000 3/32760 980.0 0.767 1.643 0.730 0.000 0.074 0.000 3/32760 990.0 0.759 1.626 0.722 0.000 0.074 0.000 3/32760 1000.0 0.752 1.610 0.715 0.000 0.073 0.000 3/32760 Thermal conductivity related properties were written into "kappa-m1076.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:05:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|