----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:29:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.736125551053145 0.000000000000000 0.000000000000000 b 0.000000000000000 11.210849310000000 0.000000000000000 c -2.502342891516073 0.000000000000000 8.447690041221612 Atomic positions (fractional): *1 Se 0.23175646031115 0.54743911223749 0.45639521792331 78.960 2 Se 0.76824353968885 0.04743911223749 0.04360478207669 78.960 3 Se 0.76824353968885 0.45256088776251 0.54360478207669 78.960 4 Se 0.23175646031115 0.95256088776251 0.95639521792331 78.960 *5 Se 0.23207330447298 0.95228489434866 0.40918373501580 78.960 6 Se 0.76792669552702 0.45228489434866 0.09081626498420 78.960 7 Se 0.76792669552702 0.04771510565134 0.59081626498420 78.960 *8 Se 0.63050848225555 0.76957006951148 0.78257924306912 78.960 9 Se 0.63050848225555 0.73042993048852 0.28257924306912 78.960 10 Se 0.36949151774445 0.23042993048852 0.21742075693088 78.960 11 Se 0.36949151774445 0.26957006951148 0.71742075693088 78.960 12 Se 0.23207330447298 0.54771510565134 0.90918373501580 78.960 *13 Rb 0.98931000077219 0.75551795427415 0.62182830699455 85.468 14 Rb 0.98931000077219 0.74448204572585 0.12182830699455 85.468 15 Rb 0.01068999922781 0.25551795427415 0.87817169300545 85.468 16 Rb 0.01068999922781 0.24448204572585 0.37817169300545 85.468 *17 Sb 0.54672618727579 0.50062883086847 0.26262541724115 121.760 18 Sb 0.45327381272421 0.49937116913153 0.73737458275886 121.760 19 Sb 0.54672618727579 0.99937116913153 0.76262541724114 121.760 20 Sb 0.45327381272421 0.00062883086847 0.23737458275886 121.760 *21 Hg 0.40912470690241 0.74953257503009 0.47754881466646 200.590 22 Hg 0.59087529309759 0.24953257503009 0.02245118533354 200.590 23 Hg 0.59087529309759 0.25046742496991 0.52245118533354 200.590 24 Hg 0.40912470690241 0.75046742496991 0.97754881466646 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.736125551053145 0.000000000000000 0.000000000000000 b 0.000000000000000 11.210849310000000 0.000000000000000 c -2.502342891516073 0.000000000000000 8.447690041221612 Atomic positions (fractional): *1 Se 0.23175646031115 0.54743911223749 0.45639521792331 78.960 > 1 2 Se 0.76824353968885 0.04743911223749 0.04360478207669 78.960 > 2 3 Se 0.76824353968885 0.45256088776251 0.54360478207669 78.960 > 3 4 Se 0.23175646031115 0.95256088776251 0.95639521792331 78.960 > 4 *5 Se 0.23207330447298 0.95228489434866 0.40918373501580 78.960 > 5 6 Se 0.76792669552702 0.45228489434866 0.09081626498420 78.960 > 6 7 Se 0.76792669552702 0.04771510565134 0.59081626498420 78.960 > 7 *8 Se 0.63050848225555 0.76957006951148 0.78257924306912 78.960 > 8 9 Se 0.63050848225555 0.73042993048852 0.28257924306912 78.960 > 9 10 Se 0.36949151774445 0.23042993048852 0.21742075693088 78.960 > 10 11 Se 0.36949151774445 0.26957006951148 0.71742075693088 78.960 > 11 12 Se 0.23207330447298 0.54771510565134 0.90918373501580 78.960 > 12 *13 Rb 0.98931000077219 0.75551795427415 0.62182830699455 85.468 > 13 14 Rb 0.98931000077219 0.74448204572585 0.12182830699455 85.468 > 14 15 Rb 0.01068999922781 0.25551795427415 0.87817169300545 85.468 > 15 16 Rb 0.01068999922781 0.24448204572585 0.37817169300545 85.468 > 16 *17 Sb 0.54672618727579 0.50062883086847 0.26262541724115 121.760 > 17 18 Sb 0.45327381272421 0.49937116913153 0.73737458275886 121.760 > 18 19 Sb 0.54672618727579 0.99937116913153 0.76262541724114 121.760 > 19 20 Sb 0.45327381272421 0.00062883086847 0.23737458275886 121.760 > 20 *21 Hg 0.40912470690241 0.74953257503009 0.47754881466646 200.590 > 21 22 Hg 0.59087529309759 0.24953257503009 0.02245118533354 200.590 > 22 23 Hg 0.59087529309759 0.25046742496991 0.52245118533354 200.590 > 23 24 Hg 0.40912470690241 0.75046742496991 0.97754881466646 200.590 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.472251102106290 0.000000000000000 0.000000000000000 b 0.000000000000000 11.210849310000000 0.000000000000000 c -5.004685783032146 0.000000000000000 16.895380082443225 Atomic positions (fractional): *1 Se 0.11587823015557 0.54743911223749 0.22819760896165 78.960 > 1 2 Se 0.61587823015557 0.54743911223749 0.22819760896165 78.960 > 1 3 Se 0.11587823015557 0.54743911223749 0.72819760896165 78.960 > 1 4 Se 0.61587823015557 0.54743911223749 0.72819760896165 78.960 > 1 5 Se 0.38412176984442 0.04743911223749 0.02180239103835 78.960 > 2 6 Se 0.88412176984443 0.04743911223749 0.02180239103835 78.960 > 2 7 Se 0.38412176984442 0.04743911223749 0.52180239103835 78.960 > 2 8 Se 0.88412176984443 0.04743911223749 0.52180239103835 78.960 > 2 9 Se 0.38412176984442 0.45256088776251 0.27180239103835 78.960 > 3 10 Se 0.88412176984443 0.45256088776251 0.27180239103835 78.960 > 3 11 Se 0.38412176984442 0.45256088776251 0.77180239103835 78.960 > 3 12 Se 0.88412176984443 0.45256088776251 0.77180239103835 78.960 > 3 13 Se 0.11587823015557 0.95256088776251 0.47819760896165 78.960 > 4 14 Se 0.61587823015557 0.95256088776251 0.47819760896165 78.960 > 4 15 Se 0.11587823015557 0.95256088776251 0.97819760896165 78.960 > 4 16 Se 0.61587823015557 0.95256088776251 0.97819760896165 78.960 > 4 *17 Se 0.11603665223649 0.95228489434866 0.20459186750790 78.960 > 5 18 Se 0.61603665223649 0.95228489434866 0.20459186750790 78.960 > 5 19 Se 0.11603665223649 0.95228489434866 0.70459186750790 78.960 > 5 20 Se 0.61603665223649 0.95228489434866 0.70459186750790 78.960 > 5 21 Se 0.38396334776351 0.45228489434866 0.04540813249210 78.960 > 6 22 Se 0.88396334776351 0.45228489434866 0.04540813249210 78.960 > 6 23 Se 0.38396334776351 0.45228489434866 0.54540813249210 78.960 > 6 24 Se 0.88396334776351 0.45228489434866 0.54540813249210 78.960 > 6 25 Se 0.38396334776351 0.04771510565134 0.29540813249210 78.960 > 7 26 Se 0.88396334776351 0.04771510565134 0.29540813249210 78.960 > 7 27 Se 0.38396334776351 0.04771510565134 0.79540813249210 78.960 > 7 28 Se 0.88396334776351 0.04771510565134 0.79540813249210 78.960 > 7 *29 Se 0.31525424112777 0.76957006951148 0.39128962153456 78.960 > 8 30 Se 0.81525424112777 0.76957006951148 0.39128962153456 78.960 > 8 31 Se 0.31525424112777 0.76957006951148 0.89128962153456 78.960 > 8 32 Se 0.81525424112777 0.76957006951148 0.89128962153456 78.960 > 8 33 Se 0.31525424112777 0.73042993048852 0.14128962153456 78.960 > 9 34 Se 0.81525424112777 0.73042993048852 0.14128962153456 78.960 > 9 35 Se 0.31525424112777 0.73042993048852 0.64128962153456 78.960 > 9 36 Se 0.81525424112777 0.73042993048852 0.64128962153456 78.960 > 9 37 Se 0.18474575887223 0.23042993048852 0.10871037846544 78.960 > 10 38 Se 0.68474575887223 0.23042993048852 0.10871037846544 78.960 > 10 39 Se 0.18474575887223 0.23042993048852 0.60871037846544 78.960 > 10 40 Se 0.68474575887223 0.23042993048852 0.60871037846544 78.960 > 10 41 Se 0.18474575887223 0.26957006951148 0.35871037846544 78.960 > 11 42 Se 0.68474575887223 0.26957006951148 0.35871037846544 78.960 > 11 43 Se 0.18474575887223 0.26957006951148 0.85871037846544 78.960 > 11 44 Se 0.68474575887223 0.26957006951148 0.85871037846544 78.960 > 11 45 Se 0.11603665223649 0.54771510565134 0.45459186750790 78.960 > 12 46 Se 0.61603665223649 0.54771510565134 0.45459186750790 78.960 > 12 47 Se 0.11603665223649 0.54771510565134 0.95459186750790 78.960 > 12 48 Se 0.61603665223649 0.54771510565134 0.95459186750790 78.960 > 12 *49 Rb 0.49465500038610 0.75551795427415 0.31091415349728 85.468 > 13 50 Rb 0.99465500038610 0.75551795427415 0.31091415349728 85.468 > 13 51 Rb 0.49465500038610 0.75551795427415 0.81091415349728 85.468 > 13 52 Rb 0.99465500038610 0.75551795427415 0.81091415349728 85.468 > 13 53 Rb 0.49465500038610 0.74448204572585 0.06091415349728 85.468 > 14 54 Rb 0.99465500038610 0.74448204572585 0.06091415349728 85.468 > 14 55 Rb 0.49465500038610 0.74448204572585 0.56091415349728 85.468 > 14 56 Rb 0.99465500038610 0.74448204572585 0.56091415349728 85.468 > 14 57 Rb 0.00534499961390 0.25551795427415 0.43908584650272 85.468 > 15 58 Rb 0.50534499961390 0.25551795427415 0.43908584650272 85.468 > 15 59 Rb 0.00534499961390 0.25551795427415 0.93908584650272 85.468 > 15 60 Rb 0.50534499961390 0.25551795427415 0.93908584650272 85.468 > 15 61 Rb 0.00534499961390 0.24448204572585 0.18908584650272 85.468 > 16 62 Rb 0.50534499961390 0.24448204572585 0.18908584650272 85.468 > 16 63 Rb 0.00534499961390 0.24448204572585 0.68908584650272 85.468 > 16 64 Rb 0.50534499961390 0.24448204572585 0.68908584650272 85.468 > 16 *65 Sb 0.27336309363789 0.50062883086847 0.13131270862057 121.760 > 17 66 Sb 0.77336309363789 0.50062883086847 0.13131270862057 121.760 > 17 67 Sb 0.27336309363789 0.50062883086847 0.63131270862057 121.760 > 17 68 Sb 0.77336309363789 0.50062883086847 0.63131270862057 121.760 > 17 69 Sb 0.22663690636211 0.49937116913153 0.36868729137943 121.760 > 18 70 Sb 0.72663690636211 0.49937116913153 0.36868729137943 121.760 > 18 71 Sb 0.22663690636211 0.49937116913153 0.86868729137943 121.760 > 18 72 Sb 0.72663690636211 0.49937116913153 0.86868729137943 121.760 > 18 73 Sb 0.27336309363789 0.99937116913153 0.38131270862057 121.760 > 19 74 Sb 0.77336309363789 0.99937116913153 0.38131270862057 121.760 > 19 75 Sb 0.27336309363789 0.99937116913153 0.88131270862057 121.760 > 19 76 Sb 0.77336309363789 0.99937116913153 0.88131270862057 121.760 > 19 77 Sb 0.22663690636211 0.00062883086847 0.11868729137943 121.760 > 20 78 Sb 0.72663690636211 0.00062883086847 0.11868729137943 121.760 > 20 79 Sb 0.22663690636211 0.00062883086847 0.61868729137943 121.760 > 20 80 Sb 0.72663690636211 0.00062883086847 0.61868729137943 121.760 > 20 *81 Hg 0.20456235345120 0.74953257503009 0.23877440733323 200.590 > 21 82 Hg 0.70456235345120 0.74953257503009 0.23877440733323 200.590 > 21 83 Hg 0.20456235345120 0.74953257503009 0.73877440733323 200.590 > 21 84 Hg 0.70456235345120 0.74953257503009 0.73877440733323 200.590 > 21 85 Hg 0.29543764654880 0.24953257503009 0.01122559266677 200.590 > 22 86 Hg 0.79543764654880 0.24953257503009 0.01122559266677 200.590 > 22 87 Hg 0.29543764654880 0.24953257503009 0.51122559266677 200.590 > 22 88 Hg 0.79543764654880 0.24953257503009 0.51122559266677 200.590 > 22 89 Hg 0.29543764654880 0.25046742496991 0.26122559266677 200.590 > 23 90 Hg 0.79543764654880 0.25046742496991 0.26122559266677 200.590 > 23 91 Hg 0.29543764654880 0.25046742496991 0.76122559266677 200.590 > 23 92 Hg 0.79543764654880 0.25046742496991 0.76122559266677 200.590 > 23 93 Hg 0.20456235345120 0.75046742496991 0.48877440733323 200.590 > 24 94 Hg 0.70456235345120 0.75046742496991 0.48877440733323 200.590 > 24 95 Hg 0.20456235345120 0.75046742496991 0.98877440733323 200.590 > 24 96 Hg 0.70456235345120 0.75046742496991 0.98877440733323 200.590 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9992849 0.0000000 -1.2495250 0.0000000 11.5192164 0.0000000 -1.2495471 0.0000000 9.6083415 -------------------------- Born effective charges -------------------------- 1 Se -1.2638680 -0.1268816 0.2960565 -0.0308758 -2.1608372 0.2930570 -0.0768289 0.6190906 -3.1769564 2 Se -1.2638680 0.1268816 0.2960565 0.0308758 -2.1608372 -0.2930570 -0.0768289 -0.6190906 -3.1769564 3 Se -1.2638680 -0.1268816 0.2960565 -0.0308758 -2.1608372 0.2930570 -0.0768289 0.6190906 -3.1769564 4 Se -1.2638680 0.1268816 0.2960565 0.0308758 -2.1608372 -0.2930570 -0.0768289 -0.6190906 -3.1769564 5 Se -1.8662200 -0.1719583 0.6200727 -0.0877780 -2.1938064 0.3305535 1.0087506 0.6359940 -2.7356356 6 Se -1.8662200 0.1719583 0.6200727 0.0877780 -2.1938064 -0.3305535 1.0087506 -0.6359940 -2.7356356 7 Se -1.8662200 -0.1719583 0.6200727 -0.0877780 -2.1938064 0.3305535 1.0087506 0.6359940 -2.7356356 8 Se -1.2854059 -0.0880926 0.5241764 0.5939297 -3.7948211 0.1258402 0.5007895 -0.0375169 -2.8422602 9 Se -1.2854059 0.0880926 0.5241764 -0.5939297 -3.7948211 -0.1258402 0.5007895 0.0375169 -2.8422602 10 Se -1.2854059 -0.0880926 0.5241764 0.5939297 -3.7948211 0.1258402 0.5007895 -0.0375169 -2.8422602 11 Se -1.2854059 0.0880926 0.5241764 -0.5939297 -3.7948211 -0.1258402 0.5007895 0.0375169 -2.8422602 12 Se -1.8662200 0.1719583 0.6200727 0.0877780 -2.1938064 -0.3305535 1.0087506 -0.6359940 -2.7356356 13 Rb 1.7725371 -0.1020530 0.1557003 -0.0682373 1.4944328 0.2084633 0.1514025 0.1024832 1.2922475 14 Rb 1.7725371 0.1020530 0.1557003 0.0682373 1.4944328 -0.2084633 0.1514025 -0.1024832 1.2922475 15 Rb 1.7725371 0.1020530 0.1557003 0.0682373 1.4944328 -0.2084633 0.1514025 -0.1024832 1.2922475 16 Rb 1.7725371 -0.1020530 0.1557003 -0.0682373 1.4944328 0.2084633 0.1514025 0.1024832 1.2922475 17 Sb 1.5923606 -0.3916743 -1.0961428 -0.2422879 3.8150565 -0.0441514 -1.1048175 -0.1148387 4.9014143 18 Sb 1.5923606 -0.3916743 -1.0961428 -0.2422879 3.8150565 -0.0441514 -1.1048175 -0.1148387 4.9014143 19 Sb 1.5923606 0.3916743 -1.0961428 0.2422879 3.8150565 0.0441514 -1.1048175 0.1148387 4.9014143 20 Sb 1.5923606 0.3916743 -1.0961428 0.2422879 3.8150565 0.0441514 -1.1048175 0.1148387 4.9014143 21 Hg 1.0505962 0.1830027 -0.4998630 -0.2241534 2.8399755 0.7856205 -0.4792961 -0.5207206 2.5611905 22 Hg 1.0505962 -0.1830027 -0.4998630 0.2241534 2.8399755 -0.7856205 -0.4792961 0.5207206 2.5611905 23 Hg 1.0505962 0.1830027 -0.4998630 -0.2241534 2.8399755 0.7856205 -0.4792961 -0.5207206 2.5611905 24 Hg 1.0505962 -0.1830027 -0.4998630 0.2241534 2.8399755 -0.7856205 -0.4792961 0.5207206 2.5611905 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.723 Solver_block: 200 / 720 - Time: 0.642 Solver_block: 300 / 720 - Time: 0.655 Solver_block: 400 / 720 - Time: 0.640 Solver_block: 500 / 720 - Time: 0.653 Solver_block: 600 / 720 - Time: 0.649 Solver_block: 700 / 720 - Time: 0.652 Solver_block: 720 / 720 - Time: 0.219 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.937 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:30:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:30:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.736125551053145 0.000000000000000 0.000000000000000 b 0.000000000000000 11.210849310000000 0.000000000000000 c -2.502342891516073 0.000000000000000 8.447690041221612 Atomic positions (fractional): 1 Se 0.23175646031115 0.54743911223749 0.45639521792331 78.960 2 Se 0.76824353968885 0.04743911223749 0.04360478207669 78.960 3 Se 0.76824353968885 0.45256088776251 0.54360478207669 78.960 4 Se 0.23175646031115 0.95256088776251 0.95639521792331 78.960 5 Se 0.23207330447298 0.95228489434866 0.40918373501580 78.960 6 Se 0.76792669552702 0.45228489434866 0.09081626498420 78.960 7 Se 0.76792669552702 0.04771510565134 0.59081626498420 78.960 8 Se 0.63050848225555 0.76957006951148 0.78257924306912 78.960 9 Se 0.63050848225555 0.73042993048852 0.28257924306912 78.960 10 Se 0.36949151774445 0.23042993048852 0.21742075693088 78.960 11 Se 0.36949151774445 0.26957006951148 0.71742075693088 78.960 12 Se 0.23207330447298 0.54771510565134 0.90918373501580 78.960 13 Rb 0.98931000077219 0.75551795427415 0.62182830699455 85.468 14 Rb 0.98931000077219 0.74448204572585 0.12182830699455 85.468 15 Rb 0.01068999922781 0.25551795427415 0.87817169300545 85.468 16 Rb 0.01068999922781 0.24448204572585 0.37817169300545 85.468 17 Sb 0.54672618727579 0.50062883086847 0.26262541724115 121.760 18 Sb 0.45327381272421 0.49937116913153 0.73737458275886 121.760 19 Sb 0.54672618727579 0.99937116913153 0.76262541724114 121.760 20 Sb 0.45327381272421 0.00062883086847 0.23737458275886 121.760 21 Hg 0.40912470690241 0.74953257503009 0.47754881466646 200.590 22 Hg 0.59087529309759 0.24953257503009 0.02245118533354 200.590 23 Hg 0.59087529309759 0.25046742496991 0.52245118533354 200.590 24 Hg 0.40912470690241 0.75046742496991 0.97754881466646 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.472251102106290 0.000000000000000 0.000000000000000 b 0.000000000000000 11.210849310000000 0.000000000000000 c -5.004685783032146 0.000000000000000 16.895380082443225 Atomic positions (fractional): 1 Se 0.11587823015557 0.54743911223749 0.22819760896165 78.960 > 1 2 Se 0.61587823015557 0.54743911223749 0.22819760896165 78.960 > 1 3 Se 0.11587823015557 0.54743911223749 0.72819760896165 78.960 > 1 4 Se 0.61587823015557 0.54743911223749 0.72819760896165 78.960 > 1 5 Se 0.38412176984442 0.04743911223749 0.02180239103835 78.960 > 5 6 Se 0.88412176984443 0.04743911223749 0.02180239103835 78.960 > 5 7 Se 0.38412176984442 0.04743911223749 0.52180239103835 78.960 > 5 8 Se 0.88412176984443 0.04743911223749 0.52180239103835 78.960 > 5 9 Se 0.38412176984442 0.45256088776251 0.27180239103835 78.960 > 9 10 Se 0.88412176984443 0.45256088776251 0.27180239103835 78.960 > 9 11 Se 0.38412176984442 0.45256088776251 0.77180239103835 78.960 > 9 12 Se 0.88412176984443 0.45256088776251 0.77180239103835 78.960 > 9 13 Se 0.11587823015557 0.95256088776251 0.47819760896165 78.960 > 13 14 Se 0.61587823015557 0.95256088776251 0.47819760896165 78.960 > 13 15 Se 0.11587823015557 0.95256088776251 0.97819760896165 78.960 > 13 16 Se 0.61587823015557 0.95256088776251 0.97819760896165 78.960 > 13 17 Se 0.11603665223649 0.95228489434866 0.20459186750790 78.960 > 17 18 Se 0.61603665223649 0.95228489434866 0.20459186750790 78.960 > 17 19 Se 0.11603665223649 0.95228489434866 0.70459186750790 78.960 > 17 20 Se 0.61603665223649 0.95228489434866 0.70459186750790 78.960 > 17 21 Se 0.38396334776351 0.45228489434866 0.04540813249210 78.960 > 21 22 Se 0.88396334776351 0.45228489434866 0.04540813249210 78.960 > 21 23 Se 0.38396334776351 0.45228489434866 0.54540813249210 78.960 > 21 24 Se 0.88396334776351 0.45228489434866 0.54540813249210 78.960 > 21 25 Se 0.38396334776351 0.04771510565134 0.29540813249210 78.960 > 25 26 Se 0.88396334776351 0.04771510565134 0.29540813249210 78.960 > 25 27 Se 0.38396334776351 0.04771510565134 0.79540813249210 78.960 > 25 28 Se 0.88396334776351 0.04771510565134 0.79540813249210 78.960 > 25 29 Se 0.31525424112777 0.76957006951148 0.39128962153456 78.960 > 29 30 Se 0.81525424112777 0.76957006951148 0.39128962153456 78.960 > 29 31 Se 0.31525424112777 0.76957006951148 0.89128962153456 78.960 > 29 32 Se 0.81525424112777 0.76957006951148 0.89128962153456 78.960 > 29 33 Se 0.31525424112777 0.73042993048852 0.14128962153456 78.960 > 33 34 Se 0.81525424112777 0.73042993048852 0.14128962153456 78.960 > 33 35 Se 0.31525424112777 0.73042993048852 0.64128962153456 78.960 > 33 36 Se 0.81525424112777 0.73042993048852 0.64128962153456 78.960 > 33 37 Se 0.18474575887223 0.23042993048852 0.10871037846544 78.960 > 37 38 Se 0.68474575887223 0.23042993048852 0.10871037846544 78.960 > 37 39 Se 0.18474575887223 0.23042993048852 0.60871037846544 78.960 > 37 40 Se 0.68474575887223 0.23042993048852 0.60871037846544 78.960 > 37 41 Se 0.18474575887223 0.26957006951148 0.35871037846544 78.960 > 41 42 Se 0.68474575887223 0.26957006951148 0.35871037846544 78.960 > 41 43 Se 0.18474575887223 0.26957006951148 0.85871037846544 78.960 > 41 44 Se 0.68474575887223 0.26957006951148 0.85871037846544 78.960 > 41 45 Se 0.11603665223649 0.54771510565134 0.45459186750790 78.960 > 45 46 Se 0.61603665223649 0.54771510565134 0.45459186750790 78.960 > 45 47 Se 0.11603665223649 0.54771510565134 0.95459186750790 78.960 > 45 48 Se 0.61603665223649 0.54771510565134 0.95459186750790 78.960 > 45 49 Rb 0.49465500038610 0.75551795427415 0.31091415349728 85.468 > 49 50 Rb 0.99465500038610 0.75551795427415 0.31091415349728 85.468 > 49 51 Rb 0.49465500038610 0.75551795427415 0.81091415349728 85.468 > 49 52 Rb 0.99465500038610 0.75551795427415 0.81091415349728 85.468 > 49 53 Rb 0.49465500038610 0.74448204572585 0.06091415349728 85.468 > 53 54 Rb 0.99465500038610 0.74448204572585 0.06091415349728 85.468 > 53 55 Rb 0.49465500038610 0.74448204572585 0.56091415349728 85.468 > 53 56 Rb 0.99465500038610 0.74448204572585 0.56091415349728 85.468 > 53 57 Rb 0.00534499961390 0.25551795427415 0.43908584650272 85.468 > 57 58 Rb 0.50534499961390 0.25551795427415 0.43908584650272 85.468 > 57 59 Rb 0.00534499961390 0.25551795427415 0.93908584650272 85.468 > 57 60 Rb 0.50534499961390 0.25551795427415 0.93908584650272 85.468 > 57 61 Rb 0.00534499961390 0.24448204572585 0.18908584650272 85.468 > 61 62 Rb 0.50534499961390 0.24448204572585 0.18908584650272 85.468 > 61 63 Rb 0.00534499961390 0.24448204572585 0.68908584650272 85.468 > 61 64 Rb 0.50534499961390 0.24448204572585 0.68908584650272 85.468 > 61 65 Sb 0.27336309363789 0.50062883086847 0.13131270862057 121.760 > 65 66 Sb 0.77336309363789 0.50062883086847 0.13131270862057 121.760 > 65 67 Sb 0.27336309363789 0.50062883086847 0.63131270862057 121.760 > 65 68 Sb 0.77336309363789 0.50062883086847 0.63131270862057 121.760 > 65 69 Sb 0.22663690636211 0.49937116913153 0.36868729137943 121.760 > 69 70 Sb 0.72663690636211 0.49937116913153 0.36868729137943 121.760 > 69 71 Sb 0.22663690636211 0.49937116913153 0.86868729137943 121.760 > 69 72 Sb 0.72663690636211 0.49937116913153 0.86868729137943 121.760 > 69 73 Sb 0.27336309363789 0.99937116913153 0.38131270862057 121.760 > 73 74 Sb 0.77336309363789 0.99937116913153 0.38131270862057 121.760 > 73 75 Sb 0.27336309363789 0.99937116913153 0.88131270862057 121.760 > 73 76 Sb 0.77336309363789 0.99937116913153 0.88131270862057 121.760 > 73 77 Sb 0.22663690636211 0.00062883086847 0.11868729137943 121.760 > 77 78 Sb 0.72663690636211 0.00062883086847 0.11868729137943 121.760 > 77 79 Sb 0.22663690636211 0.00062883086847 0.61868729137943 121.760 > 77 80 Sb 0.72663690636211 0.00062883086847 0.61868729137943 121.760 > 77 81 Hg 0.20456235345120 0.74953257503009 0.23877440733323 200.590 > 81 82 Hg 0.70456235345120 0.74953257503009 0.23877440733323 200.590 > 81 83 Hg 0.20456235345120 0.74953257503009 0.73877440733323 200.590 > 81 84 Hg 0.70456235345120 0.74953257503009 0.73877440733323 200.590 > 81 85 Hg 0.29543764654880 0.24953257503009 0.01122559266677 200.590 > 85 86 Hg 0.79543764654880 0.24953257503009 0.01122559266677 200.590 > 85 87 Hg 0.29543764654880 0.24953257503009 0.51122559266677 200.590 > 85 88 Hg 0.79543764654880 0.24953257503009 0.51122559266677 200.590 > 85 89 Hg 0.29543764654880 0.25046742496991 0.26122559266677 200.590 > 89 90 Hg 0.79543764654880 0.25046742496991 0.26122559266677 200.590 > 89 91 Hg 0.29543764654880 0.25046742496991 0.76122559266677 200.590 > 89 92 Hg 0.79543764654880 0.25046742496991 0.76122559266677 200.590 > 89 93 Hg 0.20456235345120 0.75046742496991 0.48877440733323 200.590 > 93 94 Hg 0.70456235345120 0.75046742496991 0.48877440733323 200.590 > 93 95 Hg 0.20456235345120 0.75046742496991 0.98877440733323 200.590 > 93 96 Hg 0.70456235345120 0.75046742496991 0.98877440733323 200.590 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9992849 0.0000000 -1.2495250 0.0000000 11.5192164 0.0000000 -1.2495471 0.0000000 9.6083415 -------------------------- Born effective charges -------------------------- 1 Se -1.2638680 -0.1268816 0.2960565 -0.0308758 -2.1608372 0.2930570 -0.0768289 0.6190906 -3.1769564 2 Se -1.2638680 0.1268816 0.2960565 0.0308758 -2.1608372 -0.2930570 -0.0768289 -0.6190906 -3.1769564 3 Se -1.2638680 -0.1268816 0.2960565 -0.0308758 -2.1608372 0.2930570 -0.0768289 0.6190906 -3.1769564 4 Se -1.2638680 0.1268816 0.2960565 0.0308758 -2.1608372 -0.2930570 -0.0768289 -0.6190906 -3.1769564 5 Se -1.8662200 -0.1719583 0.6200727 -0.0877780 -2.1938064 0.3305535 1.0087506 0.6359940 -2.7356356 6 Se -1.8662200 0.1719583 0.6200727 0.0877780 -2.1938064 -0.3305535 1.0087506 -0.6359940 -2.7356356 7 Se -1.8662200 -0.1719583 0.6200727 -0.0877780 -2.1938064 0.3305535 1.0087506 0.6359940 -2.7356356 8 Se -1.2854059 -0.0880926 0.5241764 0.5939297 -3.7948211 0.1258402 0.5007895 -0.0375169 -2.8422602 9 Se -1.2854059 0.0880926 0.5241764 -0.5939297 -3.7948211 -0.1258402 0.5007895 0.0375169 -2.8422602 10 Se -1.2854059 -0.0880926 0.5241764 0.5939297 -3.7948211 0.1258402 0.5007895 -0.0375169 -2.8422602 11 Se -1.2854059 0.0880926 0.5241764 -0.5939297 -3.7948211 -0.1258402 0.5007895 0.0375169 -2.8422602 12 Se -1.8662200 0.1719583 0.6200727 0.0877780 -2.1938064 -0.3305535 1.0087506 -0.6359940 -2.7356356 13 Rb 1.7725371 -0.1020530 0.1557003 -0.0682373 1.4944328 0.2084633 0.1514025 0.1024832 1.2922475 14 Rb 1.7725371 0.1020530 0.1557003 0.0682373 1.4944328 -0.2084633 0.1514025 -0.1024832 1.2922475 15 Rb 1.7725371 0.1020530 0.1557003 0.0682373 1.4944328 -0.2084633 0.1514025 -0.1024832 1.2922475 16 Rb 1.7725371 -0.1020530 0.1557003 -0.0682373 1.4944328 0.2084633 0.1514025 0.1024832 1.2922475 17 Sb 1.5923606 -0.3916743 -1.0961428 -0.2422879 3.8150565 -0.0441514 -1.1048175 -0.1148387 4.9014143 18 Sb 1.5923606 -0.3916743 -1.0961428 -0.2422879 3.8150565 -0.0441514 -1.1048175 -0.1148387 4.9014143 19 Sb 1.5923606 0.3916743 -1.0961428 0.2422879 3.8150565 0.0441514 -1.1048175 0.1148387 4.9014143 20 Sb 1.5923606 0.3916743 -1.0961428 0.2422879 3.8150565 0.0441514 -1.1048175 0.1148387 4.9014143 21 Hg 1.0505962 0.1830027 -0.4998630 -0.2241534 2.8399755 0.7856205 -0.4792961 -0.5207206 2.5611905 22 Hg 1.0505962 -0.1830027 -0.4998630 0.2241534 2.8399755 -0.7856205 -0.4792961 0.5207206 2.5611905 23 Hg 1.0505962 0.1830027 -0.4998630 -0.2241534 2.8399755 0.7856205 -0.4792961 -0.5207206 2.5611905 24 Hg 1.0505962 -0.1830027 -0.4998630 0.2241534 2.8399755 -0.7856205 -0.4792961 0.5207206 2.5611905 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 29, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 81, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:30:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:30:27]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.736125551053145 0.000000000000000 0.000000000000000 b 0.000000000000000 11.210849310000000 0.000000000000000 c -2.502342891516073 0.000000000000000 8.447690041221612 Atomic positions (fractional): 1 Se 0.23175646031115 0.54743911223749 0.45639521792331 78.960 2 Se 0.76824353968885 0.04743911223749 0.04360478207669 78.960 3 Se 0.76824353968885 0.45256088776251 0.54360478207669 78.960 4 Se 0.23175646031115 0.95256088776251 0.95639521792331 78.960 5 Se 0.23207330447298 0.95228489434866 0.40918373501580 78.960 6 Se 0.76792669552702 0.45228489434866 0.09081626498420 78.960 7 Se 0.76792669552702 0.04771510565134 0.59081626498420 78.960 8 Se 0.63050848225555 0.76957006951148 0.78257924306912 78.960 9 Se 0.63050848225555 0.73042993048852 0.28257924306912 78.960 10 Se 0.36949151774445 0.23042993048852 0.21742075693088 78.960 11 Se 0.36949151774445 0.26957006951148 0.71742075693088 78.960 12 Se 0.23207330447298 0.54771510565134 0.90918373501580 78.960 13 Rb 0.98931000077219 0.75551795427415 0.62182830699455 85.468 14 Rb 0.98931000077219 0.74448204572585 0.12182830699455 85.468 15 Rb 0.01068999922781 0.25551795427415 0.87817169300545 85.468 16 Rb 0.01068999922781 0.24448204572585 0.37817169300545 85.468 17 Sb 0.54672618727579 0.50062883086847 0.26262541724115 121.760 18 Sb 0.45327381272421 0.49937116913153 0.73737458275886 121.760 19 Sb 0.54672618727579 0.99937116913153 0.76262541724114 121.760 20 Sb 0.45327381272421 0.00062883086847 0.23737458275886 121.760 21 Hg 0.40912470690241 0.74953257503009 0.47754881466646 200.590 22 Hg 0.59087529309759 0.24953257503009 0.02245118533354 200.590 23 Hg 0.59087529309759 0.25046742496991 0.52245118533354 200.590 24 Hg 0.40912470690241 0.75046742496991 0.97754881466646 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.472251102106290 0.000000000000000 0.000000000000000 b 0.000000000000000 11.210849310000000 0.000000000000000 c -5.004685783032146 0.000000000000000 16.895380082443225 Atomic positions (fractional): 1 Se 0.11587823015557 0.54743911223749 0.22819760896165 78.960 > 1 2 Se 0.61587823015557 0.54743911223749 0.22819760896165 78.960 > 1 3 Se 0.11587823015557 0.54743911223749 0.72819760896165 78.960 > 1 4 Se 0.61587823015557 0.54743911223749 0.72819760896165 78.960 > 1 5 Se 0.38412176984442 0.04743911223749 0.02180239103835 78.960 > 5 6 Se 0.88412176984443 0.04743911223749 0.02180239103835 78.960 > 5 7 Se 0.38412176984442 0.04743911223749 0.52180239103835 78.960 > 5 8 Se 0.88412176984443 0.04743911223749 0.52180239103835 78.960 > 5 9 Se 0.38412176984442 0.45256088776251 0.27180239103835 78.960 > 9 10 Se 0.88412176984443 0.45256088776251 0.27180239103835 78.960 > 9 11 Se 0.38412176984442 0.45256088776251 0.77180239103835 78.960 > 9 12 Se 0.88412176984443 0.45256088776251 0.77180239103835 78.960 > 9 13 Se 0.11587823015557 0.95256088776251 0.47819760896165 78.960 > 13 14 Se 0.61587823015557 0.95256088776251 0.47819760896165 78.960 > 13 15 Se 0.11587823015557 0.95256088776251 0.97819760896165 78.960 > 13 16 Se 0.61587823015557 0.95256088776251 0.97819760896165 78.960 > 13 17 Se 0.11603665223649 0.95228489434866 0.20459186750790 78.960 > 17 18 Se 0.61603665223649 0.95228489434866 0.20459186750790 78.960 > 17 19 Se 0.11603665223649 0.95228489434866 0.70459186750790 78.960 > 17 20 Se 0.61603665223649 0.95228489434866 0.70459186750790 78.960 > 17 21 Se 0.38396334776351 0.45228489434866 0.04540813249210 78.960 > 21 22 Se 0.88396334776351 0.45228489434866 0.04540813249210 78.960 > 21 23 Se 0.38396334776351 0.45228489434866 0.54540813249210 78.960 > 21 24 Se 0.88396334776351 0.45228489434866 0.54540813249210 78.960 > 21 25 Se 0.38396334776351 0.04771510565134 0.29540813249210 78.960 > 25 26 Se 0.88396334776351 0.04771510565134 0.29540813249210 78.960 > 25 27 Se 0.38396334776351 0.04771510565134 0.79540813249210 78.960 > 25 28 Se 0.88396334776351 0.04771510565134 0.79540813249210 78.960 > 25 29 Se 0.31525424112777 0.76957006951148 0.39128962153456 78.960 > 29 30 Se 0.81525424112777 0.76957006951148 0.39128962153456 78.960 > 29 31 Se 0.31525424112777 0.76957006951148 0.89128962153456 78.960 > 29 32 Se 0.81525424112777 0.76957006951148 0.89128962153456 78.960 > 29 33 Se 0.31525424112777 0.73042993048852 0.14128962153456 78.960 > 33 34 Se 0.81525424112777 0.73042993048852 0.14128962153456 78.960 > 33 35 Se 0.31525424112777 0.73042993048852 0.64128962153456 78.960 > 33 36 Se 0.81525424112777 0.73042993048852 0.64128962153456 78.960 > 33 37 Se 0.18474575887223 0.23042993048852 0.10871037846544 78.960 > 37 38 Se 0.68474575887223 0.23042993048852 0.10871037846544 78.960 > 37 39 Se 0.18474575887223 0.23042993048852 0.60871037846544 78.960 > 37 40 Se 0.68474575887223 0.23042993048852 0.60871037846544 78.960 > 37 41 Se 0.18474575887223 0.26957006951148 0.35871037846544 78.960 > 41 42 Se 0.68474575887223 0.26957006951148 0.35871037846544 78.960 > 41 43 Se 0.18474575887223 0.26957006951148 0.85871037846544 78.960 > 41 44 Se 0.68474575887223 0.26957006951148 0.85871037846544 78.960 > 41 45 Se 0.11603665223649 0.54771510565134 0.45459186750790 78.960 > 45 46 Se 0.61603665223649 0.54771510565134 0.45459186750790 78.960 > 45 47 Se 0.11603665223649 0.54771510565134 0.95459186750790 78.960 > 45 48 Se 0.61603665223649 0.54771510565134 0.95459186750790 78.960 > 45 49 Rb 0.49465500038610 0.75551795427415 0.31091415349728 85.468 > 49 50 Rb 0.99465500038610 0.75551795427415 0.31091415349728 85.468 > 49 51 Rb 0.49465500038610 0.75551795427415 0.81091415349728 85.468 > 49 52 Rb 0.99465500038610 0.75551795427415 0.81091415349728 85.468 > 49 53 Rb 0.49465500038610 0.74448204572585 0.06091415349728 85.468 > 53 54 Rb 0.99465500038610 0.74448204572585 0.06091415349728 85.468 > 53 55 Rb 0.49465500038610 0.74448204572585 0.56091415349728 85.468 > 53 56 Rb 0.99465500038610 0.74448204572585 0.56091415349728 85.468 > 53 57 Rb 0.00534499961390 0.25551795427415 0.43908584650272 85.468 > 57 58 Rb 0.50534499961390 0.25551795427415 0.43908584650272 85.468 > 57 59 Rb 0.00534499961390 0.25551795427415 0.93908584650272 85.468 > 57 60 Rb 0.50534499961390 0.25551795427415 0.93908584650272 85.468 > 57 61 Rb 0.00534499961390 0.24448204572585 0.18908584650272 85.468 > 61 62 Rb 0.50534499961390 0.24448204572585 0.18908584650272 85.468 > 61 63 Rb 0.00534499961390 0.24448204572585 0.68908584650272 85.468 > 61 64 Rb 0.50534499961390 0.24448204572585 0.68908584650272 85.468 > 61 65 Sb 0.27336309363789 0.50062883086847 0.13131270862057 121.760 > 65 66 Sb 0.77336309363789 0.50062883086847 0.13131270862057 121.760 > 65 67 Sb 0.27336309363789 0.50062883086847 0.63131270862057 121.760 > 65 68 Sb 0.77336309363789 0.50062883086847 0.63131270862057 121.760 > 65 69 Sb 0.22663690636211 0.49937116913153 0.36868729137943 121.760 > 69 70 Sb 0.72663690636211 0.49937116913153 0.36868729137943 121.760 > 69 71 Sb 0.22663690636211 0.49937116913153 0.86868729137943 121.760 > 69 72 Sb 0.72663690636211 0.49937116913153 0.86868729137943 121.760 > 69 73 Sb 0.27336309363789 0.99937116913153 0.38131270862057 121.760 > 73 74 Sb 0.77336309363789 0.99937116913153 0.38131270862057 121.760 > 73 75 Sb 0.27336309363789 0.99937116913153 0.88131270862057 121.760 > 73 76 Sb 0.77336309363789 0.99937116913153 0.88131270862057 121.760 > 73 77 Sb 0.22663690636211 0.00062883086847 0.11868729137943 121.760 > 77 78 Sb 0.72663690636211 0.00062883086847 0.11868729137943 121.760 > 77 79 Sb 0.22663690636211 0.00062883086847 0.61868729137943 121.760 > 77 80 Sb 0.72663690636211 0.00062883086847 0.61868729137943 121.760 > 77 81 Hg 0.20456235345120 0.74953257503009 0.23877440733323 200.590 > 81 82 Hg 0.70456235345120 0.74953257503009 0.23877440733323 200.590 > 81 83 Hg 0.20456235345120 0.74953257503009 0.73877440733323 200.590 > 81 84 Hg 0.70456235345120 0.74953257503009 0.73877440733323 200.590 > 81 85 Hg 0.29543764654880 0.24953257503009 0.01122559266677 200.590 > 85 86 Hg 0.79543764654880 0.24953257503009 0.01122559266677 200.590 > 85 87 Hg 0.29543764654880 0.24953257503009 0.51122559266677 200.590 > 85 88 Hg 0.79543764654880 0.24953257503009 0.51122559266677 200.590 > 85 89 Hg 0.29543764654880 0.25046742496991 0.26122559266677 200.590 > 89 90 Hg 0.79543764654880 0.25046742496991 0.26122559266677 200.590 > 89 91 Hg 0.29543764654880 0.25046742496991 0.76122559266677 200.590 > 89 92 Hg 0.79543764654880 0.25046742496991 0.76122559266677 200.590 > 89 93 Hg 0.20456235345120 0.75046742496991 0.48877440733323 200.590 > 93 94 Hg 0.70456235345120 0.75046742496991 0.48877440733323 200.590 > 93 95 Hg 0.20456235345120 0.75046742496991 0.98877440733323 200.590 > 93 96 Hg 0.70456235345120 0.75046742496991 0.98877440733323 200.590 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9992849 0.0000000 -1.2495250 0.0000000 11.5192164 0.0000000 -1.2495471 0.0000000 9.6083415 -------------------------- Born effective charges -------------------------- 1 Se -1.2638680 -0.1268816 0.2960565 -0.0308758 -2.1608372 0.2930570 -0.0768289 0.6190906 -3.1769564 2 Se -1.2638680 0.1268816 0.2960565 0.0308758 -2.1608372 -0.2930570 -0.0768289 -0.6190906 -3.1769564 3 Se -1.2638680 -0.1268816 0.2960565 -0.0308758 -2.1608372 0.2930570 -0.0768289 0.6190906 -3.1769564 4 Se -1.2638680 0.1268816 0.2960565 0.0308758 -2.1608372 -0.2930570 -0.0768289 -0.6190906 -3.1769564 5 Se -1.8662200 -0.1719583 0.6200727 -0.0877780 -2.1938064 0.3305535 1.0087506 0.6359940 -2.7356356 6 Se -1.8662200 0.1719583 0.6200727 0.0877780 -2.1938064 -0.3305535 1.0087506 -0.6359940 -2.7356356 7 Se -1.8662200 -0.1719583 0.6200727 -0.0877780 -2.1938064 0.3305535 1.0087506 0.6359940 -2.7356356 8 Se -1.2854059 -0.0880926 0.5241764 0.5939297 -3.7948211 0.1258402 0.5007895 -0.0375169 -2.8422602 9 Se -1.2854059 0.0880926 0.5241764 -0.5939297 -3.7948211 -0.1258402 0.5007895 0.0375169 -2.8422602 10 Se -1.2854059 -0.0880926 0.5241764 0.5939297 -3.7948211 0.1258402 0.5007895 -0.0375169 -2.8422602 11 Se -1.2854059 0.0880926 0.5241764 -0.5939297 -3.7948211 -0.1258402 0.5007895 0.0375169 -2.8422602 12 Se -1.8662200 0.1719583 0.6200727 0.0877780 -2.1938064 -0.3305535 1.0087506 -0.6359940 -2.7356356 13 Rb 1.7725371 -0.1020530 0.1557003 -0.0682373 1.4944328 0.2084633 0.1514025 0.1024832 1.2922475 14 Rb 1.7725371 0.1020530 0.1557003 0.0682373 1.4944328 -0.2084633 0.1514025 -0.1024832 1.2922475 15 Rb 1.7725371 0.1020530 0.1557003 0.0682373 1.4944328 -0.2084633 0.1514025 -0.1024832 1.2922475 16 Rb 1.7725371 -0.1020530 0.1557003 -0.0682373 1.4944328 0.2084633 0.1514025 0.1024832 1.2922475 17 Sb 1.5923606 -0.3916743 -1.0961428 -0.2422879 3.8150565 -0.0441514 -1.1048175 -0.1148387 4.9014143 18 Sb 1.5923606 -0.3916743 -1.0961428 -0.2422879 3.8150565 -0.0441514 -1.1048175 -0.1148387 4.9014143 19 Sb 1.5923606 0.3916743 -1.0961428 0.2422879 3.8150565 0.0441514 -1.1048175 0.1148387 4.9014143 20 Sb 1.5923606 0.3916743 -1.0961428 0.2422879 3.8150565 0.0441514 -1.1048175 0.1148387 4.9014143 21 Hg 1.0505962 0.1830027 -0.4998630 -0.2241534 2.8399755 0.7856205 -0.4792961 -0.5207206 2.5611905 22 Hg 1.0505962 -0.1830027 -0.4998630 0.2241534 2.8399755 -0.7856205 -0.4792961 0.5207206 2.5611905 23 Hg 1.0505962 0.1830027 -0.4998630 -0.2241534 2.8399755 0.7856205 -0.4792961 -0.5207206 2.5611905 24 Hg 1.0505962 -0.1830027 -0.4998630 0.2241534 2.8399755 -0.7856205 -0.4792961 0.5207206 2.5611905 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 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: 0.46, Number of G-points: 291, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/66) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 66 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 0.780 ( 0.000 0.000 0.000) 0.000 0.837 ( 0.000 0.000 0.000) 0.000 0.902 ( 0.000 0.000 0.000) 0.000 0.940 ( 0.000 0.000 0.000) 0.000 0.994 ( 0.000 0.000 0.000) 0.000 1.006 ( 0.000 0.000 0.000) 0.000 1.092 ( 0.000 0.000 0.000) 0.000 1.189 ( 0.000 0.000 0.000) 0.000 1.264 ( 0.000 0.000 0.000) 0.000 1.265 ( 0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.357 ( 0.000 0.000 0.000) 0.000 1.404 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.548 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.500 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/66) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( 9.646 0.000 2.346) 9.928 0.270 ( 13.038 0.000 3.507) 13.501 0.349 ( 16.644 0.000 4.797) 17.321 0.824 ( 4.325 0.000 0.200) 4.330 0.856 ( 0.297 0.000 3.066) 3.080 0.912 ( 0.276 0.000 2.672) 2.686 0.936 ( -0.539 0.000 1.769) 1.849 1.002 ( -0.129 0.000 3.176) 3.179 1.062 ( -3.807 0.000 2.718) 4.677 1.076 ( 0.180 0.000 2.402) 2.409 1.195 ( 0.017 0.000 0.564) 0.565 1.264 ( 0.050 0.000 0.771) 0.773 1.272 ( 0.730 0.000 1.758) 1.904 1.310 ( -2.119 0.000 0.269) 2.136 1.339 ( -0.564 0.000 -1.228) 1.352 1.402 ( 0.318 0.000 -1.917) 1.943 1.482 ( -2.916 0.000 0.520) 2.962 1.536 ( -1.317 0.000 1.112) 1.724 1.554 ( -0.075 0.000 -1.052) 1.055 1.614 ( -0.607 0.000 -2.561) 2.632 1.667 ( -0.943 0.000 1.370) 1.663 1.670 ( 1.823 0.000 -0.572) 1.910 1.691 ( 0.860 0.000 0.890) 1.238 1.763 ( -1.694 0.000 -4.204) 4.533 1.794 ( -0.922 0.000 1.576) 1.826 1.808 ( 0.361 0.000 -0.692) 0.780 1.928 ( 1.661 0.000 1.865) 2.497 1.999 ( -0.549 0.000 -0.389) 0.673 2.048 ( 1.445 0.000 -0.052) 1.446 2.082 ( -2.132 0.000 1.361) 2.530 2.104 ( -3.280 0.000 -3.352) 4.690 2.123 ( -4.715 0.000 0.484) 4.739 2.157 ( -0.038 0.000 -2.801) 2.802 2.265 ( 3.980 0.000 1.701) 4.328 2.314 ( -1.387 0.000 -0.773) 1.588 2.368 ( 5.306 0.000 1.896) 5.634 2.440 ( 0.611 0.000 -2.059) 2.147 2.518 ( -0.913 0.000 1.755) 1.978 2.578 ( -4.111 0.000 -1.501) 4.377 2.685 ( -1.052 0.000 -0.582) 1.202 2.743 ( 1.353 0.000 0.154) 1.362 2.814 ( 0.515 0.000 -1.203) 1.308 2.874 ( -0.218 0.000 0.591) 0.630 2.892 ( -0.365 0.000 -1.265) 1.316 3.628 ( 0.960 0.000 0.302) 1.007 3.667 ( 0.970 0.000 -0.681) 1.185 3.775 ( 0.505 0.000 -0.320) 0.598 3.858 ( -0.075 0.000 0.311) 0.319 3.873 ( -0.096 0.000 0.654) 0.661 3.971 ( -0.355 0.000 1.093) 1.149 4.034 ( 0.001 0.000 0.665) 0.665 4.339 ( -0.220 0.000 0.312) 0.382 4.490 ( -0.235 0.000 -0.514) 0.566 4.505 ( 0.097 0.000 0.824) 0.829 4.511 ( -0.300 0.000 -0.531) 0.610 4.673 ( 0.328 0.000 -0.174) 0.371 4.700 ( 0.053 0.000 -0.206) 0.213 4.704 ( -0.384 0.000 -0.860) 0.942 4.747 ( -0.363 0.000 -0.014) 0.363 4.869 ( -1.112 0.000 -0.770) 1.352 5.206 ( -0.265 0.000 0.558) 0.618 5.399 ( -1.196 0.000 2.903) 3.140 5.404 ( 0.026 0.000 -0.045) 0.052 5.404 ( 0.588 0.000 -1.399) 1.517 5.438 ( 1.861 0.000 -4.790) 5.139 5.485 ( -1.009 0.000 -0.585) 1.166 5.975 ( -0.477 0.000 0.890) 1.010 6.021 ( -0.505 0.000 0.028) 0.506 6.132 ( -0.921 0.000 0.384) 0.998 6.221 ( 1.497 0.000 -0.121) 1.502 6.230 ( -0.129 0.000 0.273) 0.302 6.510 ( -0.521 0.000 1.137) 1.251 ======================= Grid point 2 (3/66) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 7.315 0.000 1.849) 7.545 0.505 ( 9.894 0.000 3.586) 10.524 0.647 ( 12.716 0.000 2.417) 12.943 0.837 ( -2.682 0.000 0.151) 2.686 0.906 ( 2.626 0.000 1.727) 3.143 0.940 ( -3.246 0.000 3.886) 5.063 0.962 ( 4.626 0.000 2.344) 5.186 1.013 ( -0.572 0.000 4.520) 4.556 1.033 ( 0.684 0.000 3.844) 3.905 1.104 ( 2.264 0.000 -1.026) 2.486 1.186 ( -1.114 0.000 1.055) 1.534 1.233 ( -5.298 0.000 0.651) 5.338 1.278 ( 0.410 0.000 1.409) 1.468 1.314 ( 1.795 0.000 1.254) 2.190 1.337 ( 1.414 0.000 -2.053) 2.493 1.405 ( 1.001 0.000 -0.618) 1.176 1.448 ( -1.920 0.000 3.541) 4.028 1.509 ( -2.201 0.000 0.687) 2.306 1.534 ( -1.504 0.000 -0.724) 1.670 1.581 ( -1.563 0.000 -1.675) 2.290 1.657 ( -0.603 0.000 -0.125) 0.616 1.695 ( 1.135 0.000 -1.666) 2.016 1.711 ( 0.769 0.000 0.825) 1.128 1.724 ( 0.495 0.000 -3.193) 3.231 1.801 ( 0.861 0.000 0.305) 0.913 1.812 ( 0.316 0.000 0.374) 0.490 1.941 ( -1.127 0.000 1.303) 1.722 1.987 ( -0.737 0.000 -0.202) 0.764 1.995 ( -4.507 0.000 -3.522) 5.720 2.041 ( -2.462 0.000 -0.228) 2.473 2.065 ( 0.232 0.000 0.125) 0.263 2.068 ( -2.904 0.000 0.797) 3.012 2.154 ( 0.916 0.000 -1.600) 1.843 2.268 ( -2.139 0.000 -1.334) 2.521 2.337 ( 2.247 0.000 -0.004) 2.247 2.446 ( 1.307 0.000 -2.250) 2.602 2.459 ( 0.357 0.000 0.513) 0.625 2.468 ( -1.941 0.000 2.095) 2.856 2.531 ( 0.070 0.000 -1.239) 1.241 2.671 ( 0.299 0.000 -0.557) 0.632 2.761 ( 0.568 0.000 -0.043) 0.569 2.814 ( 0.169 0.000 -1.174) 1.186 2.872 ( -0.308 0.000 0.425) 0.525 2.876 ( -0.565 0.000 -0.883) 1.048 3.650 ( 1.106 0.000 0.368) 1.165 3.684 ( 0.826 0.000 0.290) 0.876 3.784 ( 0.608 0.000 -0.446) 0.754 3.857 ( -0.152 0.000 0.335) 0.368 3.874 ( -0.281 0.000 0.810) 0.857 3.970 ( -0.128 0.000 0.345) 0.368 4.040 ( 0.136 0.000 0.901) 0.911 4.336 ( -0.296 0.000 0.375) 0.478 4.483 ( -0.237 0.000 -0.382) 0.450 4.501 ( -0.349 0.000 -0.672) 0.757 4.511 ( 0.108 0.000 0.684) 0.693 4.680 ( 0.392 0.000 -0.176) 0.430 4.690 ( -0.540 0.000 -0.726) 0.905 4.700 ( 0.204 0.000 -0.335) 0.392 4.738 ( -0.510 0.000 -0.070) 0.515 4.837 ( -1.558 0.000 -0.919) 1.809 5.204 ( -0.352 0.000 0.707) 0.789 5.395 ( -0.942 0.000 3.286) 3.418 5.405 ( 0.095 0.000 -0.038) 0.102 5.410 ( 0.230 0.000 0.378) 0.443 5.442 ( 1.571 0.000 -5.347) 5.573 5.460 ( -1.119 0.000 -0.762) 1.354 5.969 ( -0.735 0.000 1.149) 1.364 6.010 ( -0.613 0.000 0.046) 0.615 6.113 ( -1.132 0.000 0.144) 1.141 6.223 ( -0.188 0.000 -0.213) 0.284 6.259 ( 1.850 0.000 0.349) 1.883 6.506 ( -0.387 0.000 0.472) 0.610 ======================= Grid point 3 (4/66) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 2.866 0.000 0.775) 2.969 0.652 ( 3.814 0.000 1.742) 4.193 0.796 ( -1.193 0.000 -0.358) 1.245 0.819 ( 4.799 0.000 0.486) 4.823 0.890 ( -2.353 0.000 1.475) 2.777 0.940 ( 0.460 0.000 0.619) 0.771 1.013 ( -0.703 0.000 1.501) 1.658 1.070 ( 4.014 0.000 1.609) 4.324 1.092 ( 1.297 0.000 2.499) 2.816 1.139 ( 2.560 0.000 -2.009) 3.254 1.158 ( -2.080 0.000 0.328) 2.105 1.175 ( -1.484 0.000 1.982) 2.476 1.286 ( -0.065 0.000 0.472) 0.477 1.322 ( 0.084 0.000 -0.904) 0.908 1.386 ( 3.110 0.000 -0.247) 3.119 1.427 ( 0.995 0.000 0.209) 1.017 1.430 ( -2.384 0.000 2.882) 3.740 1.471 ( -1.224 0.000 -0.744) 1.433 1.498 ( -1.674 0.000 -0.225) 1.689 1.548 ( -1.097 0.000 -0.045) 1.098 1.642 ( -0.517 0.000 -0.727) 0.892 1.685 ( -0.129 0.000 -1.602) 1.607 1.726 ( 0.407 0.000 0.486) 0.633 1.763 ( 2.770 0.000 1.506) 3.153 1.813 ( 0.688 0.000 -2.735) 2.821 1.827 ( 0.632 0.000 1.397) 1.534 1.908 ( -2.557 0.000 1.113) 2.789 1.914 ( -2.176 0.000 -2.441) 3.270 1.973 ( -0.372 0.000 -0.369) 0.524 2.000 ( -1.346 0.000 -0.337) 1.388 2.031 ( -1.225 0.000 0.348) 1.274 2.060 ( -0.571 0.000 0.405) 0.700 2.162 ( 0.576 0.000 -1.431) 1.543 2.252 ( 0.642 0.000 0.972) 1.164 2.328 ( -1.816 0.000 -1.396) 2.290 2.389 ( -2.393 0.000 -0.057) 2.394 2.468 ( 1.349 0.000 -0.654) 1.499 2.518 ( 1.099 0.000 1.785) 2.096 2.530 ( 0.346 0.000 -1.269) 1.315 2.686 ( 0.911 0.000 -0.150) 0.924 2.766 ( 0.124 0.000 -0.018) 0.125 2.808 ( -0.196 0.000 -0.466) 0.505 2.865 ( -0.250 0.000 -0.363) 0.440 2.869 ( -0.150 0.000 0.099) 0.179 3.667 ( 0.471 0.000 0.152) 0.495 3.696 ( 0.320 0.000 0.238) 0.399 3.791 ( 0.264 0.000 -0.217) 0.342 3.856 ( -0.091 0.000 0.132) 0.161 3.872 ( -0.180 0.000 0.363) 0.405 3.970 ( -0.031 0.000 0.075) 0.081 4.047 ( 0.105 0.000 0.422) 0.435 4.333 ( -0.140 0.000 0.161) 0.213 4.478 ( -0.098 0.000 -0.145) 0.175 4.493 ( -0.147 0.000 -0.303) 0.337 4.515 ( 0.052 0.000 0.269) 0.274 4.679 ( -0.241 0.000 -0.286) 0.374 4.684 ( 0.120 0.000 -0.035) 0.126 4.704 ( 0.242 0.000 -0.209) 0.320 4.730 ( -0.247 0.000 -0.045) 0.251 4.810 ( -0.807 0.000 -0.390) 0.896 5.201 ( -0.165 0.000 0.318) 0.358 5.400 ( -0.319 0.000 2.284) 2.306 5.407 ( 0.088 0.000 0.002) 0.088 5.413 ( -0.035 0.000 -0.091) 0.097 5.439 ( 0.694 0.000 -2.778) 2.863 5.441 ( -0.478 0.000 -0.361) 0.599 5.963 ( -0.379 0.000 0.519) 0.643 6.002 ( -0.263 0.000 0.025) 0.265 6.097 ( -0.531 0.000 0.038) 0.533 6.220 ( -0.061 0.000 -0.078) 0.099 6.286 ( 0.794 0.000 0.126) 0.804 6.502 ( -0.155 0.000 0.135) 0.206 ======================= Grid point 7 (5/66) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( 0.000 11.322 0.000) 11.322 0.330 ( 0.000 14.104 0.000) 14.104 0.569 ( 0.000 24.642 0.000) 24.642 0.712 ( 0.000 -7.860 0.000) 7.860 0.799 ( 0.000 -4.297 0.000) 4.297 0.891 ( 0.000 4.244 0.000) 4.244 0.945 ( 0.000 -1.769 0.000) 1.769 0.972 ( 0.000 -2.077 0.000) 2.077 1.026 ( 0.000 0.726 0.000) 0.726 1.104 ( 0.000 1.091 0.000) 1.091 1.204 ( 0.000 -1.728 0.000) 1.728 1.261 ( 0.000 3.457 0.000) 3.457 1.285 ( 0.000 -0.726 0.000) 0.726 1.320 ( 0.000 -2.663 0.000) 2.663 1.386 ( 0.000 -1.966 0.000) 1.966 1.400 ( 0.000 4.517 0.000) 4.517 1.406 ( 0.000 -3.848 0.000) 3.848 1.574 ( 0.000 1.268 0.000) 1.268 1.585 ( 0.000 0.849 0.000) 0.849 1.607 ( 0.000 -4.112 0.000) 4.112 1.608 ( 0.000 -0.815 0.000) 0.815 1.660 ( 0.000 -0.973 0.000) 0.973 1.712 ( 0.000 0.921 0.000) 0.921 1.724 ( 0.000 -5.962 0.000) 5.962 1.776 ( 0.000 -1.073 0.000) 1.073 1.859 ( 0.000 -2.492 0.000) 2.492 1.920 ( 0.000 3.952 0.000) 3.952 1.996 ( 0.000 -1.061 0.000) 1.061 2.049 ( 0.000 2.918 0.000) 2.918 2.115 ( 0.000 0.870 0.000) 0.870 2.135 ( 0.000 0.339 0.000) 0.339 2.201 ( 0.000 -0.561 0.000) 0.561 2.208 ( 0.000 -0.225 0.000) 0.225 2.239 ( 0.000 1.890 0.000) 1.890 2.262 ( 0.000 1.837 0.000) 1.837 2.322 ( 0.000 0.006 0.000) 0.006 2.357 ( 0.000 -1.186 0.000) 1.186 2.464 ( 0.000 -0.261 0.000) 0.261 2.507 ( 0.000 -0.128 0.000) 0.128 2.665 ( 0.000 -3.313 0.000) 3.313 2.726 ( 0.000 0.502 0.000) 0.502 2.785 ( 0.000 -2.451 0.000) 2.451 2.870 ( 0.000 0.307 0.000) 0.307 2.889 ( 0.000 0.254 0.000) 0.254 3.654 ( 0.000 2.975 0.000) 2.975 3.655 ( 0.000 -0.194 0.000) 0.194 3.723 ( 0.000 -3.036 0.000) 3.036 3.817 ( 0.000 -2.811 0.000) 2.811 3.903 ( 0.000 1.158 0.000) 1.158 3.944 ( 0.000 -0.681 0.000) 0.681 4.099 ( 0.000 4.793 0.000) 4.793 4.304 ( 0.000 -3.136 0.000) 3.136 4.461 ( 0.000 -1.002 0.000) 1.002 4.482 ( 0.000 -1.025 0.000) 1.025 4.581 ( 0.000 3.207 0.000) 3.207 4.670 ( 0.000 -0.710 0.000) 0.710 4.705 ( 0.000 0.562 0.000) 0.562 4.742 ( 0.000 -0.733 0.000) 0.733 4.892 ( 0.000 0.992 0.000) 0.992 4.976 ( 0.000 -2.145 0.000) 2.145 5.233 ( 0.000 2.246 0.000) 2.246 5.372 ( 0.000 -2.772 0.000) 2.772 5.433 ( 0.000 1.623 0.000) 1.623 5.489 ( 0.000 -0.698 0.000) 0.698 5.540 ( 0.000 9.896 0.000) 9.896 5.984 ( 0.000 4.502 0.000) 4.502 5.987 ( 0.000 0.305 0.000) 0.305 6.023 ( 0.000 -0.155 0.000) 0.155 6.025 ( 0.000 -6.474 0.000) 6.474 6.206 ( 0.000 -2.425 0.000) 2.425 6.217 ( 0.000 0.977 0.000) 0.977 6.312 ( 0.000 -3.236 0.000) 3.236 ======================= Grid point 8 (6/66) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 6.472 8.271 4.755) 11.529 0.425 ( 8.835 10.717 -0.045) 13.889 0.639 ( 6.093 20.273 2.146) 21.278 0.741 ( 2.193 -7.775 1.755) 8.267 0.828 ( 2.653 -3.715 0.323) 4.577 0.906 ( 0.889 3.427 1.179) 3.732 0.955 ( 1.266 0.635 2.935) 3.259 1.010 ( 2.405 -2.613 1.077) 3.711 1.043 ( 0.761 1.079 2.623) 2.937 1.078 ( -3.328 1.216 2.778) 4.502 1.193 ( -0.202 -2.405 -0.253) 2.427 1.229 ( -3.359 0.944 0.746) 3.568 1.270 ( -2.228 -1.651 2.437) 3.691 1.333 ( 1.646 -0.772 -1.311) 2.242 1.367 ( -1.517 0.259 0.691) 1.687 1.407 ( 0.426 -1.412 0.130) 1.481 1.428 ( 1.051 0.823 0.466) 1.414 1.542 ( -2.171 0.559 0.121) 2.245 1.573 ( -0.124 -0.275 -2.023) 2.045 1.589 ( -2.222 -1.292 3.744) 4.541 1.625 ( -0.309 -0.831 -1.057) 1.380 1.668 ( 1.398 -1.412 -1.096) 2.269 1.707 ( -0.818 -2.090 -0.212) 2.255 1.728 ( 0.929 -2.416 0.561) 2.649 1.767 ( -0.531 -0.606 -1.936) 2.097 1.834 ( -1.590 0.492 0.214) 1.678 1.928 ( 0.952 0.228 -1.456) 1.754 2.001 ( 0.456 -0.424 -0.739) 0.966 2.045 ( -0.164 2.272 -0.855) 2.433 2.097 ( -1.974 1.070 -1.048) 2.478 2.116 ( -2.191 0.863 -0.979) 2.550 2.123 ( -3.641 0.719 -0.570) 3.754 2.209 ( 0.268 1.773 -1.692) 2.466 2.269 ( 1.796 -1.683 0.237) 2.473 2.307 ( 0.363 -0.619 0.601) 0.936 2.340 ( 2.212 0.335 1.367) 2.622 2.367 ( 1.553 -2.785 0.587) 3.243 2.472 ( 0.806 0.620 -1.367) 1.704 2.499 ( -0.688 -1.363 0.497) 1.606 2.652 ( -0.763 -3.229 -0.980) 3.459 2.729 ( 0.404 0.424 0.002) 0.585 2.788 ( 0.527 -2.292 -0.523) 2.409 2.864 ( -0.668 0.283 0.020) 0.726 2.889 ( -0.050 -0.221 -0.263) 0.347 3.659 ( 0.949 1.461 -1.144) 2.085 3.664 ( 0.384 1.176 1.479) 1.929 3.727 ( 0.468 -3.018 -0.024) 3.054 3.821 ( 0.144 -2.827 0.474) 2.870 3.905 ( 0.215 1.375 0.232) 1.410 3.951 ( 0.430 -0.855 0.709) 1.191 4.100 ( -0.003 4.764 0.461) 4.786 4.303 ( -0.162 -3.096 0.318) 3.117 4.460 ( -0.129 -1.025 -0.077) 1.036 4.479 ( -0.224 -1.005 -0.188) 1.047 4.581 ( -0.060 3.236 0.038) 3.237 4.671 ( 0.041 -0.728 0.107) 0.737 4.699 ( -0.510 0.533 -0.368) 0.825 4.736 ( -0.483 -0.729 -0.232) 0.905 4.879 ( -1.226 1.199 -0.752) 1.872 4.935 ( -3.434 1.122 -1.443) 3.891 5.232 ( -0.179 2.246 0.293) 2.272 5.371 ( -0.034 -2.701 -0.411) 2.732 5.402 ( -2.749 1.618 -0.667) 3.258 5.473 ( -1.379 -0.974 -0.619) 1.798 5.535 ( -0.368 10.110 -0.003) 10.117 5.823 ( -7.924 15.249 -3.681) 17.575 5.986 ( -0.383 0.437 0.741) 0.942 6.017 ( -0.341 -0.863 -0.523) 1.065 6.027 ( -0.807 -6.815 0.861) 6.916 6.202 ( -0.429 -3.183 -0.596) 3.266 6.241 ( 1.683 1.266 0.833) 2.265 6.390 ( 3.801 -5.974 1.797) 7.306 ======================= Grid point 9 (7/66) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 7.512 6.090 3.682) 10.348 0.598 ( 8.226 7.195 1.616) 11.048 0.761 ( 2.676 3.866 0.953) 4.797 0.782 ( 2.623 2.440 0.575) 3.628 0.875 ( 1.719 -3.159 1.912) 4.072 0.959 ( 4.099 2.209 0.614) 4.696 0.987 ( -2.608 3.143 3.795) 5.575 1.036 ( 0.512 1.543 5.033) 5.289 1.064 ( 2.950 -1.857 -0.326) 3.501 1.085 ( 1.039 2.291 3.118) 4.006 1.167 ( -2.900 -3.407 1.475) 4.711 1.211 ( 1.654 -1.675 -0.521) 2.411 1.243 ( -1.655 -0.022 1.886) 2.509 1.334 ( -1.302 -0.639 -0.204) 1.465 1.362 ( 0.886 0.454 0.144) 1.006 1.406 ( -0.475 -0.553 0.770) 1.060 1.440 ( -0.285 1.100 1.135) 1.606 1.521 ( -0.975 0.646 1.060) 1.578 1.555 ( -2.003 0.778 1.603) 2.681 1.571 ( 0.218 -3.263 -1.300) 3.519 1.603 ( -1.090 0.260 -0.479) 1.219 1.678 ( 0.176 -2.298 -0.813) 2.444 1.691 ( -1.106 -1.601 0.462) 2.000 1.738 ( -0.432 -1.263 -2.762) 3.068 1.750 ( 1.078 -0.444 -0.962) 1.511 1.835 ( 1.335 -0.528 0.343) 1.476 1.926 ( -0.559 -0.497 -0.808) 1.101 1.994 ( -1.160 0.961 -0.914) 1.762 2.018 ( -2.845 0.625 -0.102) 2.915 2.035 ( -1.429 1.784 -1.163) 2.565 2.067 ( -2.237 1.263 -0.802) 2.691 2.090 ( -0.924 0.826 -0.424) 1.310 2.205 ( 0.229 0.932 -1.390) 1.689 2.257 ( -2.465 -0.918 -1.287) 2.929 2.308 ( 0.175 -3.827 -0.094) 3.832 2.371 ( -0.004 0.108 0.478) 0.490 2.420 ( 2.630 -3.276 0.648) 4.250 2.467 ( -0.143 1.192 -1.384) 1.832 2.504 ( 0.915 -1.530 0.461) 1.842 2.643 ( 0.752 -2.867 -1.004) 3.130 2.740 ( 0.649 0.095 0.004) 0.656 2.797 ( 0.548 -1.930 0.010) 2.006 2.846 ( -0.921 0.092 -0.926) 1.309 2.883 ( -0.467 -0.717 -0.026) 0.857 3.674 ( 1.027 1.148 -0.485) 1.615 3.681 ( 0.511 1.050 1.133) 1.627 3.737 ( 0.583 -2.984 -0.161) 3.044 3.824 ( -0.076 -2.696 0.518) 2.747 3.912 ( 0.243 1.837 0.587) 1.944 3.962 ( 0.311 -0.669 0.444) 0.861 4.104 ( 0.059 4.633 0.635) 4.677 4.301 ( -0.222 -2.993 0.408) 3.029 4.456 ( -0.134 -1.083 -0.175) 1.105 4.473 ( -0.296 -0.941 -0.274) 1.024 4.580 ( -0.031 3.278 0.104) 3.279 4.673 ( 0.128 -0.763 -0.026) 0.774 4.685 ( -0.645 0.370 -0.300) 0.802 4.723 ( -0.718 -0.639 -0.318) 1.012 4.839 ( -2.370 3.339 -1.246) 4.280 4.869 ( -2.208 2.588 -1.176) 3.600 5.230 ( -0.297 2.245 0.466) 2.312 5.350 ( -1.937 0.696 -0.072) 2.060 5.369 ( 0.039 -2.703 -0.779) 2.814 5.440 ( -1.484 -1.608 -0.815) 2.335 5.531 ( -0.044 9.967 0.036) 9.968 5.724 ( -2.093 15.857 -1.708) 16.086 5.980 ( -0.702 0.801 1.010) 1.468 6.006 ( -0.359 -1.351 -0.690) 1.559 6.014 ( -0.992 -6.581 0.975) 6.727 6.191 ( -0.478 -4.065 -0.374) 4.110 6.277 ( 1.736 1.690 0.477) 2.470 6.439 ( 1.095 -4.868 0.785) 5.051 ======================= Grid point 10 (8/66) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 4.670 5.596 1.239) 7.393 0.702 ( 1.022 3.888 1.778) 4.396 0.769 ( 1.197 0.018 1.299) 1.766 0.817 ( -0.280 3.944 -2.580) 4.721 0.907 ( 0.546 -3.327 1.127) 3.554 0.940 ( -1.934 3.085 1.277) 3.859 1.040 ( 2.797 2.221 1.939) 4.064 1.081 ( -0.256 -0.714 0.499) 0.907 1.103 ( 0.730 0.571 -0.257) 0.962 1.120 ( 2.808 1.415 1.797) 3.621 1.178 ( 1.771 -0.030 1.751) 2.491 1.202 ( -1.473 2.795 0.076) 3.160 1.261 ( 1.531 -2.750 1.244) 3.385 1.303 ( -1.570 -0.321 -1.033) 1.907 1.368 ( -0.327 -1.996 -0.008) 2.023 1.411 ( 0.433 -0.608 0.325) 0.814 1.434 ( -0.530 0.198 0.541) 0.783 1.503 ( -1.041 2.234 0.063) 2.465 1.532 ( -0.978 1.547 1.528) 2.384 1.573 ( 0.798 -0.395 -1.516) 1.758 1.588 ( -0.797 -1.684 0.431) 1.913 1.675 ( -0.132 -3.484 -0.169) 3.491 1.676 ( -0.326 -1.162 0.302) 1.244 1.721 ( -0.364 -2.963 -1.326) 3.266 1.768 ( 1.093 -1.125 -0.017) 1.569 1.854 ( 0.099 -2.904 -0.808) 3.016 1.911 ( 0.172 3.940 -0.737) 4.012 1.959 ( -1.342 0.154 0.296) 1.383 1.990 ( -1.267 3.629 1.588) 4.158 2.006 ( -0.794 -0.110 -1.656) 1.840 2.031 ( -0.899 1.830 -0.625) 2.132 2.080 ( -0.109 0.415 -0.021) 0.429 2.202 ( 0.424 -0.018 -2.227) 2.267 2.213 ( -1.577 -2.984 0.880) 3.488 2.309 ( 0.641 -0.936 0.282) 1.169 2.344 ( -2.267 0.254 -0.775) 2.409 2.454 ( 0.759 -4.830 0.706) 4.940 2.463 ( 0.219 -1.410 -0.722) 1.599 2.528 ( 0.997 0.880 0.062) 1.332 2.663 ( 1.142 -2.394 -0.360) 2.677 2.749 ( 0.228 0.023 0.041) 0.233 2.808 ( 0.296 -1.356 1.116) 1.781 2.823 ( -0.627 -0.277 -1.577) 1.719 2.875 ( -0.303 -0.971 0.021) 1.017 3.688 ( 0.649 1.224 -0.478) 1.465 3.691 ( -0.033 0.555 0.847) 1.013 3.745 ( 0.266 -2.919 -0.137) 2.935 3.824 ( -0.089 -2.598 0.218) 2.609 3.919 ( 0.099 2.303 0.354) 2.332 3.967 ( 0.090 -0.329 0.071) 0.349 4.108 ( 0.046 4.476 0.303) 4.486 4.300 ( -0.107 -2.896 0.185) 2.904 4.454 ( -0.046 -1.142 -0.106) 1.148 4.467 ( -0.138 -0.866 -0.131) 0.887 4.581 ( 0.001 3.292 0.064) 3.292 4.674 ( 0.113 -0.156 -0.771) 0.794 4.676 ( -0.311 -0.526 0.610) 0.864 4.710 ( -0.374 -0.470 -0.148) 0.618 4.800 ( -0.944 4.274 -0.531) 4.409 4.838 ( -0.725 1.751 -0.419) 1.941 5.227 ( -0.168 2.212 0.248) 2.232 5.329 ( -0.481 -0.488 0.018) 0.685 5.367 ( 0.016 -2.833 -0.283) 2.847 5.417 ( -0.580 -2.041 -0.402) 2.160 5.532 ( 0.035 9.806 0.019) 9.806 5.699 ( -0.385 14.849 -0.531) 14.863 5.973 ( -0.398 0.666 0.426) 0.885 5.999 ( -0.077 -0.616 -0.409) 0.743 6.004 ( -0.484 -6.897 0.573) 6.938 6.183 ( -0.194 -4.414 -0.137) 4.421 6.303 ( 0.724 1.609 0.154) 1.771 6.451 ( 0.192 -3.967 0.208) 3.977 ======================= Grid point 14 (9/66) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 0.000 -10.535 0.000) 10.535 0.499 ( 0.000 10.535 0.000) 10.535 0.616 ( 0.000 -11.218 0.000) 11.218 0.616 ( 0.000 11.218 0.000) 11.218 0.920 ( 0.000 -3.251 0.000) 3.251 0.920 ( 0.000 3.251 0.000) 3.251 0.991 ( 0.000 -3.267 0.000) 3.267 0.991 ( 0.000 3.267 0.000) 3.267 1.106 ( 0.000 -15.520 0.000) 15.520 1.106 ( 0.000 15.520 0.000) 15.520 1.145 ( 0.000 -2.388 0.000) 2.388 1.145 ( 0.000 2.388 0.000) 2.388 1.295 ( 0.000 -2.200 0.000) 2.200 1.295 ( 0.000 2.200 0.000) 2.200 1.361 ( 0.000 -3.349 0.000) 3.349 1.361 ( 0.000 3.349 0.000) 3.349 1.503 ( 0.000 -4.607 0.000) 4.607 1.503 ( 0.000 4.607 0.000) 4.607 1.576 ( 0.000 -0.303 0.000) 0.303 1.576 ( 0.000 0.303 0.000) 0.303 1.619 ( 0.000 -1.815 0.000) 1.815 1.619 ( 0.000 1.815 0.000) 1.815 1.692 ( 0.000 -1.889 0.000) 1.889 1.692 ( 0.000 1.889 0.000) 1.889 1.794 ( 0.000 -2.648 0.000) 2.648 1.794 ( 0.000 2.648 0.000) 2.648 1.976 ( 0.000 -1.190 0.000) 1.190 1.976 ( 0.000 1.190 0.000) 1.190 2.114 ( 0.000 -1.309 0.000) 1.309 2.114 ( 0.000 1.309 0.000) 1.309 2.162 ( 0.000 -2.321 0.000) 2.321 2.162 ( 0.000 2.321 0.000) 2.321 2.229 ( 0.000 -1.916 0.000) 1.916 2.229 ( 0.000 1.916 0.000) 1.916 2.303 ( 0.000 -1.673 0.000) 1.673 2.303 ( 0.000 1.673 0.000) 1.673 2.404 ( 0.000 -4.063 0.000) 4.063 2.404 ( 0.000 4.063 0.000) 4.063 2.566 ( 0.000 -4.539 0.000) 4.539 2.566 ( 0.000 4.539 0.000) 4.539 2.745 ( 0.000 -1.218 0.000) 1.218 2.745 ( 0.000 1.218 0.000) 1.218 2.882 ( 0.000 -0.670 0.000) 0.670 2.882 ( 0.000 0.670 0.000) 0.670 3.664 ( 0.000 -1.329 0.000) 1.329 3.664 ( 0.000 1.329 0.000) 1.329 3.741 ( 0.000 -3.813 0.000) 3.813 3.741 ( 0.000 3.813 0.000) 3.813 3.926 ( 0.000 -0.917 0.000) 0.917 3.926 ( 0.000 0.917 0.000) 0.917 4.211 ( 0.000 -4.888 0.000) 4.888 4.211 ( 0.000 4.888 0.000) 4.888 4.460 ( 0.000 -0.702 0.000) 0.702 4.460 ( 0.000 0.702 0.000) 0.702 4.641 ( 0.000 -2.002 0.000) 2.002 4.641 ( 0.000 2.002 0.000) 2.002 4.722 ( 0.000 -0.910 0.000) 0.910 4.722 ( 0.000 0.910 0.000) 0.910 4.926 ( 0.000 -2.013 0.000) 2.013 4.926 ( 0.000 2.013 0.000) 2.013 5.299 ( 0.000 -3.425 0.000) 3.425 5.299 ( 0.000 3.425 0.000) 3.425 5.466 ( 0.000 -1.303 0.000) 1.303 5.466 ( 0.000 1.303 0.000) 1.303 5.801 ( 0.000 -11.965 0.000) 11.965 5.801 ( 0.000 11.965 0.000) 11.965 6.009 ( 0.000 -0.694 0.000) 0.694 6.009 ( 0.000 0.694 0.000) 0.694 6.112 ( 0.000 -5.758 0.000) 5.758 6.112 ( 0.000 5.758 0.000) 5.758 6.250 ( 0.000 -2.018 0.000) 2.018 6.250 ( 0.000 2.018 0.000) 2.018 ======================= Grid point 16 (10/66) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 3.240 -9.457 3.357) 10.546 0.542 ( 3.240 9.457 3.357) 10.546 0.665 ( 4.985 -9.835 -0.692) 11.048 0.665 ( 4.985 9.835 -0.692) 11.048 0.947 ( 2.696 -3.435 0.109) 4.368 0.947 ( 2.696 3.435 0.109) 4.368 1.010 ( 0.157 -4.574 4.174) 6.195 1.010 ( 0.157 4.574 4.174) 6.195 1.093 ( -0.716 -7.741 -0.044) 7.775 1.093 ( -0.716 7.741 -0.044) 7.775 1.149 ( -1.019 -8.396 3.412) 9.119 1.149 ( -1.019 8.396 3.412) 9.119 1.274 ( -0.444 -1.552 -2.245) 2.765 1.274 ( -0.444 1.552 -2.245) 2.765 1.372 ( 0.107 -2.370 1.619) 2.872 1.372 ( 0.107 2.370 1.619) 2.872 1.487 ( -1.591 -2.962 0.294) 3.375 1.487 ( -1.591 2.962 0.294) 3.375 1.568 ( -0.716 -0.162 0.255) 0.777 1.568 ( -0.716 0.162 0.255) 0.777 1.634 ( 1.288 -1.051 -0.530) 1.745 1.634 ( 1.288 1.051 -0.530) 1.745 1.687 ( -0.926 -2.359 1.170) 2.791 1.687 ( -0.926 2.359 1.170) 2.791 1.794 ( 0.432 -2.507 -1.601) 3.006 1.794 ( 0.432 2.507 -1.601) 3.006 1.965 ( -0.590 -2.071 -1.073) 2.406 1.965 ( -0.590 2.071 -1.073) 2.406 2.107 ( -0.934 -0.783 -0.399) 1.282 2.107 ( -0.934 0.783 -0.399) 1.282 2.142 ( -2.348 -0.488 0.257) 2.412 2.142 ( -2.348 0.488 0.257) 2.412 2.208 ( -0.336 -1.537 -3.059) 3.440 2.208 ( -0.336 1.537 -3.059) 3.440 2.327 ( 1.325 -1.564 0.450) 2.098 2.327 ( 1.325 1.564 0.450) 2.098 2.415 ( 0.775 -4.153 1.565) 4.506 2.415 ( 0.775 4.153 1.565) 4.506 2.554 ( -0.601 -4.632 -1.512) 4.910 2.554 ( -0.601 4.632 -1.512) 4.910 2.749 ( 0.451 -1.285 0.016) 1.362 2.749 ( 0.451 1.285 0.016) 1.362 2.876 ( -0.576 -0.748 -0.270) 0.982 2.876 ( -0.576 0.748 -0.270) 0.982 3.671 ( 0.668 -1.307 -0.137) 1.474 3.671 ( 0.668 1.307 -0.137) 1.474 3.744 ( 0.189 -3.757 0.614) 3.812 3.744 ( 0.189 3.757 0.614) 3.812 3.931 ( 0.408 -0.988 0.393) 1.139 3.931 ( 0.408 0.988 0.393) 1.139 4.212 ( -0.073 -4.845 0.350) 4.858 4.212 ( -0.073 4.845 0.350) 4.858 4.458 ( -0.184 -0.674 -0.091) 0.704 4.458 ( -0.184 0.674 -0.091) 0.704 4.641 ( -0.014 -2.032 0.080) 2.034 4.641 ( -0.014 2.032 0.080) 2.034 4.716 ( -0.493 -0.955 -0.358) 1.133 4.716 ( -0.493 0.955 -0.358) 1.133 4.913 ( -1.163 -1.739 -0.692) 2.203 4.913 ( -1.163 1.739 -0.692) 2.203 5.298 ( -0.068 -3.418 -0.104) 3.420 5.298 ( -0.068 3.418 -0.104) 3.420 5.442 ( -2.166 -1.711 -0.712) 2.850 5.442 ( -2.166 1.711 -0.712) 2.850 5.797 ( -0.333 -11.943 -0.044) 11.948 5.797 ( -0.333 11.943 -0.044) 11.948 6.005 ( -0.556 -0.793 0.441) 1.064 6.005 ( -0.556 0.793 0.441) 1.064 6.073 ( -2.564 -8.008 -1.235) 8.499 6.073 ( -2.564 8.008 -1.235) 8.499 6.289 ( 2.673 -3.162 1.167) 4.302 6.289 ( 2.673 3.162 1.167) 4.302 ======================= Grid point 18 (11/66) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 3.511 -6.385 3.265) 7.985 0.630 ( 3.511 6.385 3.265) 7.985 0.761 ( 4.759 -6.577 -0.182) 8.120 0.761 ( 4.759 6.577 -0.182) 8.120 1.001 ( 1.698 -4.148 0.600) 4.522 1.001 ( 1.697 4.148 0.600) 4.522 1.021 ( 0.322 -3.725 0.311) 3.752 1.021 ( 0.322 3.725 0.311) 3.752 1.096 ( -0.008 -0.693 5.423) 5.467 1.096 ( -0.008 0.693 5.423) 5.467 1.160 ( 0.638 -8.021 3.283) 8.691 1.160 ( 0.638 8.021 3.283) 8.691 1.269 ( 0.811 -4.233 -1.512) 4.567 1.269 ( 0.811 4.233 -1.512) 4.567 1.370 ( -1.047 -2.939 0.291) 3.133 1.370 ( -1.047 2.939 0.291) 3.133 1.465 ( -0.392 -2.335 -0.104) 2.370 1.465 ( -0.392 2.335 -0.104) 2.370 1.559 ( -0.492 -0.238 0.780) 0.953 1.559 ( -0.492 0.238 0.780) 0.953 1.641 ( -1.366 -1.906 2.059) 3.121 1.641 ( -1.366 1.906 2.059) 3.121 1.675 ( -0.021 -1.829 -1.708) 2.503 1.675 ( -0.021 1.829 -1.708) 2.503 1.792 ( 0.333 -2.515 -1.736) 3.074 1.792 ( 0.333 2.515 -1.736) 3.074 1.953 ( -0.090 -2.397 -0.667) 2.490 1.953 ( -0.090 2.397 -0.667) 2.490 2.074 ( -2.330 -1.732 -0.275) 2.916 2.074 ( -2.330 1.732 -0.275) 2.916 2.093 ( -2.203 -1.924 -0.135) 2.928 2.093 ( -2.203 1.924 -0.135) 2.928 2.190 ( -0.321 -4.013 -2.446) 4.711 2.190 ( -0.321 4.013 -2.446) 4.711 2.343 ( 0.724 -3.376 -0.763) 3.536 2.343 ( 0.724 3.376 -0.763) 3.536 2.427 ( -1.091 -3.409 1.098) 3.744 2.427 ( -1.091 3.409 1.098) 3.744 2.552 ( 1.716 -4.477 -1.157) 4.932 2.552 ( 1.716 4.477 -1.157) 4.932 2.761 ( 0.598 -1.365 0.279) 1.516 2.761 ( 0.598 1.365 0.279) 1.516 2.860 ( -0.856 -1.039 -0.568) 1.461 2.860 ( -0.856 1.039 -0.568) 1.461 3.685 ( 0.802 -1.252 -0.121) 1.492 3.685 ( 0.802 1.252 -0.121) 1.492 3.751 ( 0.073 -3.561 0.720) 3.633 3.751 ( 0.073 3.561 0.720) 3.633 3.943 ( 0.545 -1.045 0.455) 1.263 3.943 ( 0.545 1.045 0.455) 1.263 4.213 ( -0.085 -4.724 0.474) 4.749 4.213 ( -0.085 4.724 0.474) 4.749 4.453 ( -0.228 -0.602 -0.157) 0.662 4.453 ( -0.228 0.602 -0.157) 0.662 4.642 ( 0.025 -2.093 0.091) 2.095 4.642 ( 0.025 2.093 0.091) 2.095 4.703 ( -0.664 -1.034 -0.419) 1.299 4.703 ( -0.664 1.034 -0.419) 1.299 4.881 ( -1.570 -1.112 -0.905) 2.126 4.881 ( -1.570 1.112 -0.905) 2.126 5.296 ( -0.161 -3.418 0.001) 3.422 5.296 ( -0.161 3.418 0.001) 3.422 5.393 ( -2.215 -2.382 -0.918) 3.380 5.393 ( -2.215 2.382 -0.918) 3.380 5.791 ( -0.286 -11.786 -0.039) 11.790 5.791 ( -0.286 11.786 -0.039) 11.790 5.996 ( -0.643 -1.153 0.623) 1.459 5.996 ( -0.643 1.153 0.623) 1.459 6.028 ( -1.606 -9.968 -0.854) 10.133 6.028 ( -1.606 9.968 -0.854) 10.133 6.337 ( 1.761 -3.720 0.737) 4.181 6.337 ( 1.761 3.720 0.737) 4.181 ======================= Grid point 20 (12/66) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 1.300 -2.536 1.050) 3.037 0.688 ( 1.300 2.536 1.050) 3.037 0.815 ( 0.946 -3.929 0.615) 4.088 0.815 ( 0.946 3.929 0.615) 4.088 1.000 ( -0.046 -1.930 -0.680) 2.047 1.000 ( -0.046 1.931 -0.680) 2.047 1.052 ( 1.276 -2.362 0.652) 2.763 1.052 ( 1.276 2.362 0.652) 2.763 1.141 ( 1.130 -1.245 2.421) 2.947 1.141 ( 1.130 1.245 2.421) 2.947 1.190 ( 0.715 -3.396 1.665) 3.849 1.190 ( 0.715 3.396 1.665) 3.849 1.283 ( 0.975 -3.847 0.721) 4.034 1.283 ( 0.975 3.847 0.721) 4.034 1.340 ( -1.528 -2.622 -1.558) 3.411 1.340 ( -1.528 2.622 -1.558) 3.411 1.468 ( 0.453 -3.357 -0.183) 3.392 1.468 ( 0.453 3.357 -0.183) 3.392 1.558 ( -0.075 -0.122 0.412) 0.436 1.558 ( -0.075 0.122 0.412) 0.436 1.617 ( -1.681 -1.385 1.847) 2.856 1.617 ( -1.681 1.385 1.847) 2.856 1.667 ( 0.159 -1.681 -1.612) 2.334 1.667 ( 0.159 1.681 -1.612) 2.334 1.789 ( 0.117 -2.566 -0.759) 2.679 1.789 ( 0.117 2.566 -0.759) 2.679 1.952 ( 0.106 -1.069 -0.155) 1.086 1.952 ( 0.106 1.069 -0.155) 1.086 2.033 ( -1.353 -3.695 -0.166) 3.939 2.033 ( -1.353 3.695 -0.166) 3.939 2.073 ( -0.303 -0.711 0.504) 0.922 2.073 ( -0.303 0.711 0.504) 0.923 2.167 ( -0.582 -4.363 -1.492) 4.647 2.167 ( -0.582 4.363 -1.492) 4.647 2.349 ( 0.378 -3.410 -0.705) 3.503 2.349 ( 0.378 3.410 -0.705) 3.503 2.401 ( -1.283 -3.762 0.447) 3.999 2.401 ( -1.283 3.762 0.447) 3.999 2.586 ( 1.478 -3.818 -0.270) 4.103 2.586 ( 1.478 3.818 -0.270) 4.103 2.771 ( 0.239 -1.531 0.315) 1.581 2.771 ( 0.239 1.531 0.315) 1.581 2.843 ( -0.463 -1.460 -0.421) 1.588 2.843 ( -0.463 1.460 -0.421) 1.588 3.695 ( 0.348 -1.176 -0.043) 1.228 3.695 ( 0.348 1.176 -0.043) 1.228 3.754 ( -0.028 -3.360 0.310) 3.374 3.754 ( -0.028 3.360 0.310) 3.374 3.953 ( 0.259 -0.969 0.192) 1.021 3.953 ( 0.259 0.969 0.192) 1.021 4.213 ( -0.036 -4.603 0.225) 4.609 4.213 ( -0.036 4.603 0.225) 4.609 4.449 ( -0.099 -0.536 -0.084) 0.551 4.449 ( -0.099 0.536 -0.084) 0.551 4.643 ( 0.028 -2.136 0.027) 2.136 4.643 ( 0.028 2.136 0.027) 2.136 4.691 ( -0.321 -1.080 -0.172) 1.140 4.691 ( -0.321 1.080 -0.172) 1.140 4.854 ( -0.729 -0.689 -0.410) 1.084 4.854 ( -0.729 0.690 -0.410) 1.084 5.293 ( -0.142 -3.439 0.083) 3.443 5.293 ( -0.142 3.439 0.083) 3.443 5.361 ( -0.770 -2.561 -0.457) 2.713 5.361 ( -0.770 2.561 -0.457) 2.713 5.787 ( -0.093 -11.570 -0.016) 11.570 5.787 ( -0.093 11.570 -0.016) 11.570 5.990 ( -0.306 -0.877 0.420) 1.019 5.990 ( -0.306 0.877 0.420) 1.019 6.005 ( -0.489 -11.084 -0.411) 11.103 6.005 ( -0.489 11.084 -0.411) 11.103 6.361 ( 0.568 -3.558 0.222) 3.610 6.361 ( 0.568 3.558 0.222) 3.610 ======================= Grid point 35 (13/66) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( -7.555 0.000 12.851) 14.907 0.315 ( -2.703 0.000 15.636) 15.868 0.429 ( 2.153 0.000 21.249) 21.358 0.808 ( -1.291 0.000 2.668) 2.964 0.863 ( 3.001 0.000 2.435) 3.865 0.957 ( 1.587 0.000 4.497) 4.769 0.959 ( 1.840 0.000 1.619) 2.451 0.992 ( 2.702 0.000 -0.197) 2.709 1.025 ( 1.462 0.000 0.153) 1.470 1.087 ( 3.279 0.000 -0.419) 3.305 1.192 ( 0.066 0.000 0.224) 0.234 1.250 ( 1.605 0.000 -0.835) 1.809 1.285 ( 0.012 0.000 2.032) 2.032 1.302 ( 0.993 0.000 -3.010) 3.170 1.387 ( -0.688 0.000 3.054) 3.130 1.446 ( 0.507 0.000 -3.228) 3.268 1.472 ( 0.732 0.000 -4.561) 4.620 1.529 ( -2.302 0.000 -2.937) 3.731 1.558 ( -0.168 0.000 -0.903) 0.918 1.582 ( 1.784 0.000 -2.617) 3.168 1.625 ( 0.015 0.000 -4.193) 4.193 1.630 ( -1.079 0.000 -0.092) 1.083 1.714 ( -0.359 0.000 3.434) 3.453 1.805 ( 1.470 0.000 -1.257) 1.934 1.839 ( -3.423 0.000 3.435) 4.849 1.902 ( 0.775 0.000 -0.156) 0.790 1.907 ( -2.303 0.000 6.088) 6.509 2.009 ( -1.778 0.000 -0.202) 1.790 2.043 ( 0.679 0.000 2.352) 2.448 2.124 ( -2.606 0.000 -2.291) 3.470 2.129 ( -0.433 0.000 -0.374) 0.572 2.183 ( -5.435 0.000 -1.987) 5.787 2.243 ( 0.656 0.000 -2.239) 2.333 2.245 ( 1.607 0.000 0.971) 1.877 2.273 ( 4.197 0.000 2.655) 4.966 2.314 ( 0.115 0.000 -0.794) 0.802 2.377 ( 3.478 0.000 -1.283) 3.707 2.397 ( -1.423 0.000 -4.010) 4.255 2.485 ( 1.849 0.000 -3.078) 3.591 2.677 ( -0.260 0.000 -2.506) 2.519 2.734 ( -0.910 0.000 1.005) 1.355 2.780 ( 0.141 0.000 -2.418) 2.422 2.818 ( 0.588 0.000 -1.406) 1.524 2.862 ( 0.722 0.000 -1.677) 1.826 3.627 ( -0.274 0.000 1.036) 1.072 3.806 ( -1.380 0.000 3.142) 3.432 3.848 ( 1.358 0.000 -2.257) 2.634 3.855 ( 0.426 0.000 -0.143) 0.449 3.880 ( -0.601 0.000 0.476) 0.767 4.032 ( 0.706 0.000 -0.108) 0.714 4.131 ( -2.266 0.000 2.885) 3.669 4.340 ( 0.418 0.000 -0.223) 0.474 4.484 ( 0.463 0.000 -0.968) 1.073 4.525 ( -0.835 0.000 0.959) 1.271 4.631 ( 1.154 0.000 -4.080) 4.240 4.693 ( -0.296 0.000 -0.536) 0.613 4.703 ( -0.514 0.000 0.655) 0.833 4.734 ( 0.631 0.000 -1.664) 1.780 4.808 ( 0.846 0.000 -4.246) 4.329 4.846 ( -2.735 0.000 -1.247) 3.006 5.367 ( -3.416 0.000 11.857) 12.339 5.405 ( -0.256 0.000 0.963) 0.997 5.407 ( -0.025 0.000 0.217) 0.219 5.462 ( -1.920 0.000 3.503) 3.994 5.523 ( -1.431 0.000 2.614) 2.980 5.938 ( 2.284 0.000 -3.695) 4.343 5.950 ( -12.136 0.000 -2.390) 12.369 5.999 ( -7.043 0.000 -1.570) 7.216 6.136 ( 1.262 0.000 -0.866) 1.531 6.193 ( 0.495 0.000 -1.026) 1.139 6.239 ( -0.169 0.000 0.528) 0.554 6.374 ( 8.544 0.000 -1.660) 8.704 ======================= Grid point 36 (14/66) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 8.748 0.000 5.571) 10.371 0.401 ( 2.282 0.000 13.873) 14.060 0.629 ( 5.388 0.000 15.366) 16.283 0.837 ( 3.382 0.000 1.572) 3.730 0.895 ( -1.784 0.000 1.153) 2.124 0.995 ( 1.662 0.000 3.049) 3.472 1.003 ( 0.112 0.000 4.418) 4.419 1.046 ( 1.795 0.000 0.920) 2.017 1.053 ( 1.679 0.000 -0.605) 1.785 1.107 ( -1.608 0.000 1.994) 2.562 1.197 ( 0.071 0.000 -0.231) 0.242 1.277 ( 0.306 0.000 -2.608) 2.626 1.287 ( 0.491 0.000 -1.176) 1.274 1.308 ( 1.135 0.000 3.792) 3.959 1.362 ( -2.876 0.000 2.920) 4.098 1.439 ( -4.210 0.000 -1.561) 4.490 1.462 ( 1.948 0.000 0.230) 1.961 1.472 ( 1.807 0.000 -4.062) 4.446 1.536 ( -1.314 0.000 -1.929) 2.334 1.602 ( -0.319 0.000 0.946) 0.998 1.610 ( 1.052 0.000 -6.068) 6.159 1.610 ( 0.947 0.000 -2.612) 2.779 1.732 ( 0.027 0.000 3.637) 3.637 1.782 ( -2.959 0.000 3.718) 4.752 1.822 ( -1.248 0.000 2.224) 2.550 1.894 ( -2.377 0.000 5.584) 6.069 1.903 ( 1.258 0.000 -5.150) 5.301 1.993 ( -0.570 0.000 -1.131) 1.266 2.040 ( 0.173 0.000 -0.528) 0.556 2.051 ( -5.812 0.000 -1.723) 6.062 2.110 ( -2.888 0.000 0.526) 2.935 2.118 ( 1.767 0.000 0.252) 1.785 2.207 ( -3.398 0.000 3.614) 4.961 2.286 ( -0.105 0.000 -1.575) 1.579 2.303 ( 0.705 0.000 1.681) 1.823 2.364 ( 1.103 0.000 -4.990) 5.110 2.392 ( 6.039 0.000 -1.072) 6.133 2.442 ( 3.137 0.000 -3.301) 4.554 2.499 ( 1.440 0.000 -3.677) 3.949 2.651 ( -0.480 0.000 -3.226) 3.261 2.702 ( -1.457 0.000 0.021) 1.457 2.779 ( 0.871 0.000 -1.789) 1.990 2.842 ( 1.805 0.000 -1.402) 2.286 2.861 ( 0.318 0.000 -2.010) 2.035 3.633 ( 0.459 0.000 0.643) 0.790 3.802 ( -0.743 0.000 2.558) 2.664 3.859 ( 0.867 0.000 -1.830) 2.025 3.861 ( 0.227 0.000 -0.108) 0.251 3.870 ( -1.521 0.000 3.424) 3.746 4.044 ( 0.515 0.000 0.215) 0.558 4.066 ( -6.172 0.000 5.421) 8.215 4.343 ( 0.038 0.000 -0.077) 0.085 4.486 ( 0.169 0.000 -0.673) 0.694 4.513 ( -0.932 0.000 0.787) 1.220 4.628 ( 1.082 0.000 -4.368) 4.500 4.676 ( -1.899 0.000 0.994) 2.143 4.700 ( -0.156 0.000 0.619) 0.639 4.730 ( -2.721 0.000 0.696) 2.809 4.733 ( -5.043 0.000 3.086) 5.912 4.795 ( 0.193 0.000 -3.781) 3.786 5.366 ( -3.734 0.000 11.889) 12.462 5.404 ( -0.288 0.000 0.503) 0.580 5.408 ( -0.127 0.000 0.596) 0.609 5.425 ( -3.479 0.000 1.911) 3.970 5.503 ( -2.047 0.000 2.452) 3.194 5.636 ( -13.348 0.000 13.348) 18.877 5.955 ( 1.282 0.000 -2.715) 3.002 5.976 ( 0.533 0.000 -4.034) 4.069 6.126 ( -0.680 0.000 -1.295) 1.463 6.208 ( 1.421 0.000 -0.902) 1.683 6.237 ( -0.096 0.000 0.173) 0.198 6.462 ( 2.945 0.000 -4.152) 5.091 ======================= Grid point 37 (15/66) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 2.376 0.000 11.435) 11.679 0.531 ( 12.254 0.000 0.959) 12.291 0.753 ( 1.895 0.000 5.428) 5.749 0.843 ( -3.352 0.000 0.776) 3.441 0.934 ( 4.877 0.000 0.886) 4.957 0.997 ( -4.028 0.000 1.940) 4.471 1.009 ( -0.213 0.000 0.873) 0.898 1.035 ( -1.632 0.000 -1.739) 2.385 1.086 ( 1.628 0.000 0.310) 1.657 1.105 ( 0.275 0.000 1.873) 1.893 1.191 ( -0.387 0.000 -0.216) 0.443 1.204 ( -4.279 0.000 -3.508) 5.533 1.326 ( 1.990 0.000 0.787) 2.140 1.334 ( -1.724 0.000 2.665) 3.174 1.341 ( -0.884 0.000 2.105) 2.283 1.392 ( 0.550 0.000 -2.162) 2.231 1.485 ( -0.713 0.000 0.157) 0.730 1.487 ( -0.104 0.000 0.046) 0.114 1.497 ( 0.325 0.000 -3.797) 3.811 1.589 ( -0.409 0.000 -0.055) 0.413 1.608 ( 2.641 0.000 -5.553) 6.149 1.631 ( 0.537 0.000 2.342) 2.403 1.751 ( -0.267 0.000 3.726) 3.736 1.770 ( -0.334 0.000 4.173) 4.187 1.802 ( -1.481 0.000 0.894) 1.730 1.878 ( -2.235 0.000 3.023) 3.759 1.916 ( 2.424 0.000 -3.927) 4.614 1.954 ( -3.721 0.000 1.080) 3.875 1.969 ( -0.558 0.000 -1.243) 1.363 2.056 ( -3.173 0.000 1.168) 3.381 2.063 ( 2.127 0.000 -0.543) 2.195 2.130 ( -1.590 0.000 -0.314) 1.620 2.160 ( -4.298 0.000 5.755) 7.183 2.269 ( 0.656 0.000 1.996) 2.101 2.325 ( -0.376 0.000 -2.518) 2.546 2.382 ( 3.372 0.000 -2.916) 4.458 2.421 ( -0.912 0.000 -3.669) 3.781 2.479 ( 1.171 0.000 -2.453) 2.718 2.512 ( 2.363 0.000 1.030) 2.577 2.643 ( 1.573 0.000 -2.646) 3.078 2.697 ( 1.230 0.000 -2.588) 2.866 2.784 ( 0.522 0.000 -1.694) 1.772 2.855 ( 0.357 0.000 -2.043) 2.074 2.857 ( 0.630 0.000 -1.025) 1.203 3.649 ( 0.875 0.000 0.038) 0.875 3.806 ( -0.316 0.000 2.275) 2.297 3.859 ( 0.224 0.000 -1.849) 1.863 3.861 ( -0.095 0.000 -0.221) 0.241 3.866 ( -2.370 0.000 8.203) 8.538 3.993 ( -4.024 0.000 3.344) 5.232 4.051 ( 0.066 0.000 0.110) 0.128 4.340 ( -0.289 0.000 -0.192) 0.347 4.482 ( -0.235 0.000 -0.335) 0.409 4.503 ( -0.593 0.000 0.954) 1.123 4.624 ( -4.850 0.000 7.449) 8.889 4.624 ( 1.300 0.000 -5.031) 5.196 4.681 ( -0.640 0.000 -0.024) 0.640 4.704 ( 0.160 0.000 0.908) 0.922 4.722 ( -0.065 0.000 -1.435) 1.436 4.778 ( -0.003 0.000 -2.830) 2.830 5.356 ( -4.319 0.000 11.595) 12.373 5.374 ( -2.036 0.000 0.119) 2.040 5.403 ( 0.148 0.000 -0.098) 0.178 5.412 ( 0.099 0.000 0.164) 0.191 5.483 ( -1.635 0.000 3.423) 3.793 5.566 ( -3.737 0.000 10.865) 11.490 5.951 ( -0.046 0.000 -2.882) 2.882 5.962 ( 0.501 0.000 -4.332) 4.360 6.103 ( -0.795 0.000 -1.565) 1.755 6.220 ( 0.113 0.000 -0.034) 0.118 6.249 ( 1.607 0.000 -1.355) 2.102 6.474 ( 1.039 0.000 -3.491) 3.642 ======================= Grid point 38 (16/66) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -1.614 0.000 9.469) 9.605 0.700 ( 1.771 0.000 3.029) 3.509 0.779 ( 2.413 0.000 -4.203) 4.847 0.806 ( -1.034 0.000 1.444) 1.776 0.914 ( -4.694 0.000 1.140) 4.830 0.963 ( -0.980 0.000 0.792) 1.260 0.991 ( -1.721 0.000 -3.459) 3.864 1.050 ( 3.929 0.000 -3.837) 5.492 1.085 ( -2.341 0.000 -3.111) 3.893 1.093 ( -0.425 0.000 -2.072) 2.115 1.120 ( -1.606 0.000 -3.734) 4.065 1.180 ( -0.761 0.000 -0.294) 0.816 1.314 ( -1.102 0.000 2.010) 2.292 1.334 ( -0.445 0.000 -1.553) 1.616 1.364 ( 1.413 0.000 0.831) 1.640 1.383 ( 0.257 0.000 -3.068) 3.078 1.437 ( -3.166 0.000 -0.821) 3.270 1.470 ( 0.498 0.000 -2.012) 2.073 1.511 ( -0.436 0.000 1.626) 1.683 1.597 ( 1.517 0.000 -0.894) 1.761 1.642 ( 3.330 0.000 -3.997) 5.202 1.646 ( -2.146 0.000 7.307) 7.615 1.755 ( -1.156 0.000 2.748) 2.981 1.776 ( -0.288 0.000 -0.456) 0.539 1.823 ( 1.837 0.000 4.487) 4.849 1.844 ( -1.817 0.000 0.679) 1.940 1.922 ( -0.389 0.000 -1.280) 1.338 1.939 ( -0.093 0.000 4.605) 4.606 1.970 ( 0.488 0.000 0.646) 0.810 2.021 ( -1.257 0.000 2.108) 2.455 2.076 ( -2.754 0.000 0.728) 2.849 2.116 ( 3.293 0.000 -0.803) 3.389 2.122 ( -3.107 0.000 6.728) 7.411 2.281 ( -1.924 0.000 -2.644) 3.269 2.317 ( 2.098 0.000 3.857) 4.391 2.381 ( -1.366 0.000 -0.745) 1.556 2.430 ( 2.976 0.000 -2.900) 4.155 2.473 ( 0.903 0.000 -4.414) 4.505 2.553 ( 0.315 0.000 2.039) 2.063 2.671 ( 2.025 0.000 -1.568) 2.561 2.704 ( 1.259 0.000 -3.860) 4.060 2.781 ( 0.580 0.000 -2.117) 2.195 2.853 ( 0.453 0.000 -1.825) 1.880 2.861 ( 0.453 0.000 -0.616) 0.764 3.661 ( 0.420 0.000 -0.314) 0.524 3.813 ( -0.341 0.000 2.690) 2.712 3.848 ( 0.031 0.000 -2.616) 2.616 3.857 ( -0.309 0.000 -0.060) 0.314 3.869 ( -3.539 0.000 12.173) 12.677 3.957 ( -0.471 0.000 -1.067) 1.166 4.047 ( -0.463 0.000 -0.442) 0.640 4.332 ( -0.278 0.000 -0.450) 0.529 4.478 ( 0.035 0.000 -0.091) 0.098 4.503 ( -0.068 0.000 1.325) 1.327 4.592 ( -2.769 0.000 6.116) 6.714 4.623 ( 1.652 0.000 -5.460) 5.704 4.680 ( 0.241 0.000 0.412) 0.477 4.714 ( 0.170 0.000 1.192) 1.205 4.716 ( 0.244 0.000 -1.217) 1.241 4.768 ( 0.453 0.000 -2.079) 2.128 5.340 ( -3.783 0.000 10.518) 11.177 5.350 ( -0.405 0.000 -0.981) 1.061 5.407 ( 0.080 0.000 0.329) 0.339 5.414 ( 0.006 0.000 0.264) 0.264 5.480 ( -1.119 0.000 4.577) 4.712 5.577 ( -1.780 0.000 10.367) 10.519 5.927 ( -0.231 0.000 -4.028) 4.035 5.951 ( 0.955 0.000 -4.585) 4.683 6.085 ( -0.072 0.000 -1.649) 1.651 6.222 ( 0.019 0.000 0.297) 0.298 6.266 ( 1.080 0.000 -2.153) 2.408 6.470 ( 0.723 0.000 -3.332) 3.409 ======================= Grid point 39 (17/66) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -6.393 0.000 8.098) 10.317 0.607 ( -8.632 0.000 -3.764) 9.417 0.800 ( -1.317 0.000 0.627) 1.458 0.812 ( 0.356 0.000 0.898) 0.966 0.856 ( -0.834 0.000 -1.877) 2.054 0.941 ( -0.807 0.000 -5.004) 5.068 0.943 ( -1.740 0.000 -0.083) 1.742 1.001 ( -3.113 0.000 -5.381) 6.216 1.009 ( -4.405 0.000 -3.443) 5.591 1.117 ( 2.678 0.000 -2.322) 3.545 1.123 ( 3.396 0.000 -2.885) 4.456 1.160 ( -1.020 0.000 -0.312) 1.067 1.306 ( -0.222 0.000 -4.984) 4.989 1.310 ( -0.912 0.000 2.573) 2.730 1.371 ( -0.400 0.000 -2.115) 2.152 1.393 ( 2.157 0.000 -2.190) 3.074 1.402 ( -1.245 0.000 3.902) 4.096 1.481 ( 1.936 0.000 -3.121) 3.673 1.494 ( -1.628 0.000 1.509) 2.220 1.604 ( -0.967 0.000 -0.901) 1.321 1.643 ( -0.974 0.000 5.236) 5.326 1.673 ( 2.072 0.000 -3.152) 3.772 1.746 ( -1.541 0.000 2.770) 3.170 1.782 ( 0.783 0.000 0.132) 0.794 1.839 ( 0.492 0.000 2.448) 2.497 1.864 ( -0.934 0.000 4.747) 4.838 1.900 ( -0.751 0.000 -0.284) 0.803 1.980 ( 0.307 0.000 0.188) 0.360 1.983 ( 1.801 0.000 4.639) 4.976 2.034 ( 1.073 0.000 2.530) 2.748 2.050 ( 0.029 0.000 -0.319) 0.320 2.125 ( -0.937 0.000 7.500) 7.558 2.158 ( 0.760 0.000 -0.496) 0.908 2.259 ( 0.941 0.000 0.516) 1.074 2.370 ( 0.764 0.000 2.898) 2.997 2.374 ( 1.317 0.000 -1.786) 2.219 2.451 ( 1.074 0.000 -2.150) 2.403 2.469 ( 0.952 0.000 -3.632) 3.754 2.539 ( -2.384 0.000 0.263) 2.398 2.681 ( -0.144 0.000 -0.719) 0.733 2.700 ( 0.728 0.000 -3.950) 4.017 2.796 ( 2.022 0.000 -1.675) 2.626 2.847 ( 0.086 0.000 -2.249) 2.251 2.868 ( 0.544 0.000 -0.667) 0.861 3.659 ( -0.431 0.000 -0.279) 0.514 3.824 ( -0.394 0.000 3.184) 3.208 3.835 ( 0.412 0.000 -3.146) 3.173 3.851 ( -0.174 0.000 -0.346) 0.388 3.866 ( -3.353 0.000 11.022) 11.520 3.964 ( 1.116 0.000 1.096) 1.564 4.032 ( -0.551 0.000 -0.965) 1.111 4.327 ( 0.028 0.000 -0.663) 0.664 4.482 ( 0.319 0.000 -0.064) 0.325 4.513 ( 0.204 0.000 1.659) 1.672 4.588 ( -1.115 0.000 5.977) 6.080 4.625 ( 1.785 0.000 -5.381) 5.669 4.693 ( 0.657 0.000 1.283) 1.442 4.719 ( 0.674 0.000 -0.812) 1.055 4.720 ( -0.312 0.000 1.214) 1.253 4.775 ( 1.464 0.000 -2.077) 2.541 5.336 ( -2.915 0.000 10.850) 11.235 5.350 ( 0.771 0.000 0.150) 0.786 5.408 ( -0.213 0.000 0.464) 0.511 5.414 ( -0.175 0.000 0.276) 0.327 5.490 ( -0.616 0.000 4.664) 4.705 5.606 ( -1.483 0.000 11.190) 11.288 5.907 ( 0.829 0.000 -5.097) 5.164 5.949 ( 1.663 0.000 -4.664) 4.951 6.085 ( 0.977 0.000 -1.574) 1.852 6.225 ( 0.086 0.000 0.460) 0.468 6.262 ( -0.227 0.000 -2.368) 2.379 6.464 ( 0.659 0.000 -3.679) 3.738 ======================= Grid point 40 (18/66) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -11.143 0.000 -3.920) 11.812 0.458 ( -9.143 0.000 8.939) 12.786 0.716 ( -10.611 0.000 7.518) 13.004 0.805 ( 0.208 0.000 -3.478) 3.485 0.869 ( 2.538 0.000 -3.397) 4.240 0.901 ( -4.411 0.000 -0.091) 4.412 0.914 ( -1.093 0.000 -0.670) 1.282 0.917 ( 1.402 0.000 -3.542) 3.810 0.958 ( 1.511 0.000 -2.923) 3.290 1.094 ( -3.483 0.000 -1.267) 3.706 1.174 ( 1.942 0.000 -0.417) 1.986 1.180 ( 3.983 0.000 -3.900) 5.574 1.293 ( 0.493 0.000 -0.858) 0.990 1.297 ( -2.257 0.000 2.869) 3.650 1.360 ( 1.521 0.000 -4.301) 4.562 1.406 ( -0.607 0.000 4.087) 4.132 1.429 ( 2.930 0.000 -0.077) 2.931 1.490 ( 0.714 0.000 0.620) 0.945 1.509 ( 3.176 0.000 -5.420) 6.282 1.578 ( -0.606 0.000 -1.638) 1.746 1.656 ( -0.493 0.000 3.371) 3.407 1.690 ( 1.178 0.000 -1.766) 2.123 1.727 ( -1.992 0.000 2.419) 3.133 1.772 ( -1.473 0.000 -2.483) 2.886 1.869 ( -1.482 0.000 9.704) 9.817 1.877 ( 1.016 0.000 4.347) 4.464 1.897 ( 0.578 0.000 -2.717) 2.778 1.985 ( 0.643 0.000 -1.053) 1.234 2.052 ( 3.362 0.000 3.444) 4.813 2.058 ( 0.325 0.000 -0.203) 0.383 2.076 ( 1.926 0.000 1.836) 2.661 2.156 ( 0.261 0.000 -0.496) 0.561 2.162 ( 0.528 0.000 6.804) 6.824 2.298 ( 1.759 0.000 0.535) 1.838 2.349 ( -3.887 0.000 1.244) 4.081 2.392 ( 1.117 0.000 -4.217) 4.362 2.448 ( -2.019 0.000 -1.261) 2.380 2.457 ( 0.070 0.000 -0.897) 0.900 2.492 ( -0.427 0.000 -5.368) 5.385 2.675 ( 0.175 0.000 -0.218) 0.280 2.693 ( 0.563 0.000 -2.094) 2.169 2.818 ( 0.362 0.000 -1.344) 1.392 2.838 ( 1.062 0.000 -2.659) 2.864 2.868 ( -0.147 0.000 -1.251) 1.260 3.645 ( -0.884 0.000 0.188) 0.903 3.826 ( -1.372 0.000 3.519) 3.777 3.831 ( 1.010 0.000 -3.248) 3.402 3.847 ( 0.115 0.000 -0.610) 0.621 3.874 ( -0.889 0.000 5.601) 5.671 4.014 ( 1.868 0.000 7.619) 7.844 4.021 ( -0.016 0.000 -0.974) 0.974 4.327 ( 0.373 0.000 -0.699) 0.792 4.484 ( 0.118 0.000 -0.560) 0.573 4.525 ( 0.039 0.000 1.709) 1.709 4.626 ( 1.636 0.000 6.664) 6.861 4.628 ( 1.612 0.000 -4.943) 5.199 4.714 ( 0.860 0.000 0.447) 0.969 4.717 ( -0.622 0.000 1.154) 1.311 4.736 ( 1.117 0.000 2.249) 2.511 4.794 ( 1.927 0.000 -2.947) 3.521 5.348 ( -2.768 0.000 12.265) 12.573 5.386 ( 2.285 0.000 2.951) 3.732 5.405 ( -0.196 0.000 0.095) 0.218 5.412 ( -0.284 0.000 0.704) 0.759 5.507 ( -0.163 0.000 3.968) 3.971 5.657 ( 0.259 0.000 14.892) 14.894 5.904 ( 1.944 0.000 -5.411) 5.750 5.960 ( 2.111 0.000 -4.477) 4.949 6.100 ( 1.406 0.000 -1.608) 2.136 6.229 ( -0.076 0.000 0.202) 0.216 6.236 ( -0.897 0.000 -1.761) 1.977 6.450 ( 0.134 0.000 -4.882) 4.884 ======================= Grid point 41 (19/66) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.232 ( -4.716 0.000 10.320) 11.346 0.346 ( -8.484 0.000 12.489) 15.098 0.515 ( -15.815 0.000 13.190) 20.594 0.808 ( 1.897 0.000 -0.843) 2.076 0.835 ( -2.809 0.000 1.812) 3.342 0.903 ( 3.486 0.000 -2.939) 4.559 0.922 ( 0.384 0.000 2.395) 2.426 0.951 ( 2.591 0.000 -0.734) 2.693 1.011 ( 4.883 0.000 -1.964) 5.263 1.025 ( -2.371 0.000 0.129) 2.374 1.193 ( 0.184 0.000 -0.185) 0.261 1.223 ( 2.726 0.000 -2.903) 3.982 1.278 ( -0.783 0.000 2.113) 2.253 1.296 ( 0.419 0.000 -0.929) 1.019 1.373 ( 0.993 0.000 -0.557) 1.139 1.434 ( 2.028 0.000 -0.294) 2.049 1.488 ( 0.433 0.000 -2.849) 2.882 1.507 ( 4.106 0.000 -1.032) 4.234 1.544 ( 3.087 0.000 -3.772) 4.874 1.570 ( 0.327 0.000 -0.174) 0.371 1.652 ( -1.406 0.000 0.995) 1.722 1.670 ( -2.232 0.000 -2.599) 3.426 1.710 ( -1.189 0.000 3.173) 3.388 1.763 ( 2.201 0.000 -0.465) 2.249 1.882 ( -0.709 0.000 -2.744) 2.834 1.892 ( -1.518 0.000 6.910) 7.075 1.907 ( -0.970 0.000 5.687) 5.770 2.004 ( 1.871 0.000 0.086) 1.873 2.047 ( -1.630 0.000 0.516) 1.710 2.115 ( 1.581 0.000 0.101) 1.584 2.147 ( 4.895 0.000 2.550) 5.520 2.166 ( 0.503 0.000 -1.082) 1.193 2.214 ( 1.716 0.000 3.831) 4.198 2.264 ( -4.492 0.000 0.739) 4.552 2.317 ( -0.008 0.000 -0.310) 0.310 2.320 ( -5.236 0.000 -2.862) 5.967 2.406 ( -2.043 0.000 -6.383) 6.702 2.438 ( -1.126 0.000 -1.991) 2.287 2.469 ( 1.514 0.000 -3.835) 4.123 2.683 ( 0.637 0.000 -0.988) 1.176 2.711 ( 1.701 0.000 0.701) 1.840 2.799 ( -0.486 0.000 -2.740) 2.782 2.845 ( -1.441 0.000 -1.620) 2.169 2.853 ( 1.203 0.000 -1.514) 1.934 3.632 ( -0.793 0.000 0.807) 1.131 3.817 ( -1.655 0.000 3.597) 3.960 3.837 ( 1.364 0.000 -2.821) 3.134 3.849 ( 0.391 0.000 -0.483) 0.622 3.884 ( -0.126 0.000 0.939) 0.948 4.022 ( 0.556 0.000 -0.583) 0.806 4.101 ( 2.305 0.000 6.509) 6.905 4.332 ( 0.546 0.000 -0.513) 0.749 4.482 ( 0.219 0.000 -0.980) 1.005 4.531 ( -0.414 0.000 1.386) 1.446 4.631 ( 1.380 0.000 -4.379) 4.591 4.686 ( 1.293 0.000 1.089) 1.691 4.710 ( -0.704 0.000 0.934) 1.169 4.727 ( 1.022 0.000 -1.654) 1.945 4.808 ( 1.597 0.000 -3.906) 4.220 4.809 ( 4.092 0.000 4.994) 6.456 5.362 ( -3.317 0.000 12.894) 13.314 5.404 ( 0.045 0.000 0.047) 0.065 5.407 ( -0.085 0.000 0.036) 0.092 5.451 ( 0.989 0.000 4.642) 4.746 5.523 ( -0.369 0.000 3.219) 3.240 5.866 ( 13.970 0.000 19.679) 24.134 5.917 ( 2.437 0.000 -4.866) 5.442 5.976 ( 2.149 0.000 -3.632) 4.220 6.110 ( 0.375 0.000 -2.215) 2.246 6.204 ( -0.842 0.000 -1.508) 1.727 6.237 ( 0.119 0.000 0.561) 0.574 6.398 ( -3.176 0.000 -6.867) 7.566 ======================= Grid point 42 (20/66) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -2.705 8.279 8.610) 12.247 0.424 ( -0.220 7.718 9.566) 12.293 0.666 ( 1.054 13.498 7.959) 15.705 0.766 ( -0.637 -2.011 6.686) 7.011 0.824 ( 0.183 -5.105 2.145) 5.541 0.910 ( 1.474 2.777 1.009) 3.302 0.964 ( 1.082 -0.652 2.608) 2.898 0.995 ( 1.338 -1.361 1.668) 2.534 1.041 ( 2.483 1.192 1.845) 3.315 1.097 ( 2.743 1.262 -0.545) 3.068 1.192 ( 1.273 -2.927 -2.301) 3.935 1.250 ( 2.325 0.867 -1.226) 2.768 1.258 ( 1.079 0.048 -0.426) 1.161 1.315 ( -0.148 -1.262 -0.597) 1.404 1.402 ( -0.179 -1.442 -1.592) 2.156 1.424 ( -0.242 1.245 2.046) 2.407 1.439 ( -0.595 -4.079 -0.029) 4.122 1.486 ( 0.567 0.430 -1.792) 1.928 1.529 ( 0.216 -1.800 -4.344) 4.707 1.583 ( 0.400 -0.260 -2.460) 2.506 1.629 ( 1.790 -0.137 -0.998) 2.054 1.639 ( -0.870 1.076 0.048) 1.385 1.705 ( 0.460 -2.818 0.546) 2.907 1.769 ( -0.652 -2.895 2.797) 4.078 1.829 ( -0.941 -0.196 -0.446) 1.059 1.884 ( -1.811 -1.609 3.933) 4.620 1.934 ( -1.991 3.543 2.197) 4.620 1.992 ( -1.332 -1.189 0.497) 1.853 2.074 ( -2.271 2.380 2.280) 4.003 2.124 ( -0.240 0.027 -1.210) 1.234 2.140 ( -1.894 0.047 0.144) 1.900 2.187 ( -2.739 0.583 -1.432) 3.145 2.208 ( -1.485 0.067 1.126) 1.865 2.260 ( 2.390 1.289 0.457) 2.753 2.279 ( 1.849 -0.256 2.143) 2.842 2.310 ( 0.974 0.040 -1.003) 1.398 2.347 ( 1.444 -1.429 -0.873) 2.211 2.416 ( -0.223 0.748 -4.182) 4.255 2.465 ( 1.201 -0.816 -3.687) 3.963 2.636 ( -0.537 -3.839 -2.953) 4.873 2.701 ( 0.522 -0.553 -1.115) 1.350 2.753 ( 0.332 -2.366 -2.793) 3.676 2.828 ( 0.991 0.774 -2.239) 2.568 2.865 ( 0.412 -0.465 -2.680) 2.751 3.657 ( -0.193 2.315 0.710) 2.429 3.758 ( -1.136 -2.966 2.733) 4.190 3.817 ( -1.811 -2.616 6.231) 6.997 3.836 ( -0.107 -1.697 2.105) 2.705 3.889 ( 0.288 0.439 -1.278) 1.382 3.940 ( 0.057 -5.306 2.552) 5.888 4.097 ( 0.519 4.675 -0.247) 4.710 4.299 ( 0.506 -3.332 -0.648) 3.431 4.474 ( 0.105 -0.445 -0.442) 0.636 4.512 ( -1.195 -2.584 3.114) 4.219 4.602 ( -0.426 1.508 1.922) 2.480 4.642 ( 0.949 0.316 -2.666) 2.848 4.698 ( -0.213 0.441 -0.571) 0.752 4.730 ( 0.047 -0.784 -1.032) 1.297 4.826 ( 0.807 1.576 -4.315) 4.665 4.923 ( -0.046 -0.619 -3.989) 4.037 5.380 ( -3.556 1.084 11.508) 12.094 5.429 ( -1.361 0.268 4.154) 4.379 5.490 ( -1.910 2.340 4.327) 5.277 5.518 ( -1.567 -0.351 2.840) 3.263 5.542 ( -0.289 8.924 0.316) 8.934 5.948 ( 1.902 0.470 -3.605) 4.103 5.954 ( -3.889 1.427 -3.236) 5.257 5.984 ( -2.315 -0.067 -1.531) 2.777 6.037 ( 0.610 -5.775 -0.083) 5.808 6.188 ( 0.120 -1.938 -1.550) 2.485 6.224 ( 1.029 -0.363 0.182) 1.106 6.311 ( 4.068 -3.722 -0.682) 5.556 ======================= Grid point 43 (21/66) ======================= q-point: ( 0.14 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 5.509 7.891 3.742) 10.325 0.511 ( 3.062 6.924 8.199) 11.160 0.766 ( 2.542 -1.557 3.876) 4.890 0.801 ( 1.376 8.495 7.857) 11.653 0.866 ( 1.871 -5.924 3.100) 6.943 0.926 ( 0.644 1.738 1.670) 2.495 1.016 ( 1.969 -0.847 1.610) 2.681 1.046 ( 2.234 1.086 3.329) 4.153 1.088 ( 1.368 2.420 0.824) 2.899 1.118 ( -0.583 0.932 1.755) 2.071 1.202 ( 0.420 -2.724 0.051) 2.757 1.229 ( -2.566 0.676 -0.512) 2.703 1.284 ( -0.201 -2.181 0.398) 2.226 1.323 ( 1.652 0.318 0.172) 1.691 1.388 ( -2.145 -1.304 0.652) 2.594 1.410 ( 0.349 -3.125 -2.104) 3.784 1.433 ( -0.331 0.477 -0.668) 0.885 1.480 ( 0.399 0.560 -3.392) 3.461 1.516 ( 0.776 -1.577 -2.692) 3.215 1.576 ( 0.775 -0.116 -3.776) 3.857 1.629 ( -0.262 1.964 0.653) 2.086 1.649 ( 0.763 0.965 -0.433) 1.304 1.719 ( 0.032 -1.821 2.617) 3.188 1.752 ( -1.821 -2.682 1.366) 3.518 1.806 ( -2.782 0.574 4.609) 5.414 1.876 ( -0.596 -2.660 1.496) 3.110 1.926 ( 0.186 1.407 0.625) 1.551 1.978 ( -0.113 0.401 -0.820) 0.920 2.029 ( -1.767 0.039 -1.016) 2.039 2.077 ( -4.081 2.301 -2.135) 5.148 2.109 ( -2.491 0.529 -0.158) 2.551 2.137 ( -0.329 0.515 2.621) 2.691 2.217 ( -0.261 0.107 2.303) 2.320 2.278 ( -0.344 -3.396 1.066) 3.576 2.297 ( -1.021 0.333 -1.552) 1.887 2.344 ( 2.027 0.831 -1.798) 2.834 2.384 ( 3.124 -1.641 1.433) 3.809 2.408 ( 1.670 1.382 -3.789) 4.365 2.468 ( 1.166 -2.273 -3.357) 4.218 2.608 ( -0.213 -3.964 -3.664) 5.402 2.701 ( 0.429 0.422 -1.391) 1.516 2.757 ( 1.606 -1.660 -2.234) 3.213 2.827 ( -0.002 -0.293 -2.323) 2.341 2.860 ( 0.780 -0.811 -2.765) 2.985 3.662 ( 0.385 2.173 0.430) 2.248 3.755 ( -0.600 -2.821 2.441) 3.779 3.814 ( -2.540 -2.398 7.671) 8.429 3.844 ( -0.223 -1.607 1.769) 2.400 3.891 ( 0.689 0.795 -1.521) 1.850 3.951 ( -0.057 -3.861 1.166) 4.034 4.106 ( 0.407 4.470 -0.100) 4.489 4.303 ( 0.238 -3.296 -0.560) 3.351 4.473 ( -0.012 -0.412 -0.134) 0.433 4.504 ( -1.381 -1.920 2.814) 3.676 4.605 ( -0.449 1.508 2.082) 2.610 4.644 ( 0.718 0.329 -2.519) 2.640 4.688 ( -0.388 0.364 -0.498) 0.729 4.722 ( -0.320 -0.823 -1.114) 1.421 4.811 ( 0.177 1.442 -4.107) 4.357 4.879 ( -2.281 1.401 -3.342) 4.282 5.373 ( -3.675 0.919 10.293) 10.968 5.421 ( -2.548 1.263 4.313) 5.166 5.455 ( -4.062 -0.201 5.550) 6.881 5.492 ( -2.498 -0.711 2.490) 3.598 5.533 ( -0.294 9.857 -0.165) 9.863 5.797 ( -7.344 11.491 1.136) 13.684 5.962 ( 1.220 -0.106 -2.980) 3.222 5.970 ( 0.510 -0.743 -3.527) 3.640 6.033 ( -0.479 -6.217 -0.641) 6.268 6.182 ( 0.148 -3.599 -1.348) 3.846 6.246 ( 1.334 1.071 -0.454) 1.770 6.388 ( 3.582 -4.923 -1.910) 6.380 ======================= Grid point 44 (22/66) ======================= q-point: ( 0.29 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 8.902 3.263 1.808) 9.652 0.618 ( 4.677 5.944 4.198) 8.651 0.776 ( -1.594 -4.469 0.401) 4.762 0.846 ( -0.888 7.360 3.645) 8.261 0.905 ( 0.819 -5.009 0.790) 5.137 0.980 ( 3.102 1.873 1.398) 3.884 1.040 ( -2.176 2.840 2.049) 4.123 1.063 ( 0.660 0.827 0.093) 1.062 1.104 ( 0.170 3.145 -0.519) 3.192 1.116 ( -0.797 -0.546 1.123) 1.481 1.179 ( -1.315 -1.054 -1.442) 2.218 1.203 ( -0.841 1.121 0.317) 1.437 1.284 ( -0.473 -2.197 2.230) 3.166 1.329 ( -1.893 -0.456 -1.258) 2.318 1.353 ( 0.185 -0.483 -0.657) 0.836 1.409 ( -0.444 -1.814 -0.694) 1.992 1.423 ( 0.147 -1.679 -2.331) 2.876 1.470 ( 1.225 -3.325 -4.961) 6.097 1.519 ( -0.326 1.556 0.909) 1.831 1.577 ( 1.587 0.482 -3.718) 4.072 1.635 ( -0.032 2.455 2.852) 3.763 1.661 ( 0.186 0.689 1.987) 2.111 1.729 ( -0.851 -4.200 -0.426) 4.307 1.738 ( -0.486 -0.153 4.623) 4.651 1.793 ( -1.143 0.734 5.413) 5.581 1.873 ( -0.720 -3.380 0.601) 3.508 1.920 ( -1.074 2.906 0.926) 3.234 1.974 ( -0.274 1.176 -0.334) 1.253 1.993 ( -1.462 0.874 -3.028) 3.474 2.040 ( 0.925 1.027 1.065) 1.745 2.068 ( -1.311 0.767 0.339) 1.556 2.132 ( -2.597 0.046 4.540) 5.231 2.211 ( -2.592 1.412 1.995) 3.563 2.246 ( -1.265 -2.660 0.731) 3.035 2.294 ( 0.826 -2.972 -0.854) 3.200 2.348 ( 0.032 0.907 -3.415) 3.534 2.419 ( 1.065 0.447 -2.437) 2.697 2.444 ( 2.214 -2.542 0.887) 3.486 2.478 ( 1.690 -2.064 -1.895) 3.272 2.605 ( 2.062 -3.305 -2.926) 4.872 2.706 ( 1.075 1.048 -2.193) 2.657 2.782 ( 1.944 -0.796 -1.686) 2.693 2.804 ( -0.695 -1.320 -2.535) 2.941 2.859 ( 0.567 -1.397 -2.313) 2.761 3.674 ( 0.688 1.922 -0.059) 2.043 3.761 ( -0.171 -2.718 2.011) 3.385 3.809 ( -2.698 -1.965 8.326) 8.970 3.846 ( -0.610 -1.536 1.750) 2.407 3.895 ( 0.646 0.951 -1.808) 2.142 3.950 ( -0.154 -2.086 -0.640) 2.188 4.110 ( 0.098 4.314 -0.240) 4.322 4.301 ( -0.062 -3.187 -0.689) 3.261 4.473 ( -0.080 -0.315 0.335) 0.467 4.494 ( -1.245 -1.264 2.793) 3.309 4.607 ( -0.533 1.579 2.194) 2.755 4.640 ( 0.492 0.574 -2.705) 2.809 4.682 ( -0.147 0.236 -0.054) 0.283 4.709 ( -0.390 -0.706 -0.962) 1.255 4.792 ( 0.194 1.294 -3.555) 3.788 4.821 ( -2.020 3.219 -1.649) 4.143 5.350 ( -3.184 0.749 3.994) 5.162 5.373 ( -4.730 1.192 8.708) 9.981 5.442 ( -1.481 -0.478 5.622) 5.833 5.465 ( -1.963 -1.441 3.587) 4.336 5.531 ( 0.045 9.787 0.007) 9.788 5.724 ( -2.191 12.761 2.197) 13.133 5.956 ( 0.339 -1.071 -3.823) 3.985 5.959 ( 0.170 0.370 -3.125) 3.152 6.018 ( -0.615 -6.061 -0.917) 6.160 6.178 ( 0.040 -4.602 -0.815) 4.673 6.268 ( 1.612 1.703 -1.502) 2.785 6.420 ( 1.521 -4.124 -2.691) 5.154 ======================= Grid point 45 (23/66) ======================= q-point: ( 0.43 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 1.427 3.613 2.831) 4.806 0.707 ( -0.416 -1.576 0.428) 1.685 0.753 ( 1.305 -1.081 -3.085) 3.520 0.821 ( -1.134 7.091 2.710) 7.675 0.902 ( -0.967 -4.108 -1.634) 4.526 0.962 ( -3.552 3.171 0.825) 4.832 1.051 ( -2.522 -0.024 -2.733) 3.719 1.058 ( 2.329 0.376 -0.610) 2.437 1.096 ( 1.782 1.817 -0.879) 2.692 1.115 ( -1.744 2.845 -3.317) 4.705 1.138 ( 0.282 3.100 -3.324) 4.554 1.180 ( -1.714 -0.482 -1.612) 2.402 1.267 ( -0.858 -3.743 -2.203) 4.427 1.304 ( -0.358 -0.314 0.198) 0.516 1.351 ( -0.300 -1.112 -1.647) 2.010 1.389 ( -0.197 -1.676 -2.608) 3.106 1.420 ( -0.136 -1.079 2.116) 2.379 1.460 ( 0.630 -1.379 -5.101) 5.322 1.526 ( 0.006 0.500 1.811) 1.879 1.585 ( 1.001 0.410 -1.480) 1.833 1.654 ( 0.163 0.235 0.547) 0.618 1.669 ( -1.844 1.078 5.822) 6.201 1.704 ( -1.612 -3.533 1.175) 4.057 1.754 ( -0.109 -0.077 3.483) 3.486 1.822 ( 0.617 -0.682 4.577) 4.668 1.862 ( -0.361 -0.899 1.124) 1.484 1.919 ( 0.494 1.939 2.246) 3.008 1.958 ( -0.792 1.596 -0.247) 1.799 1.977 ( 0.171 -0.174 -0.449) 0.511 2.040 ( -0.581 2.386 1.627) 2.945 2.087 ( -2.219 0.969 5.883) 6.362 2.122 ( 1.628 -0.176 2.036) 2.613 2.168 ( -1.575 2.692 1.168) 3.330 2.236 ( -1.000 -5.882 0.829) 6.023 2.296 ( 0.157 0.718 -2.381) 2.492 2.343 ( 0.656 -0.570 2.047) 2.223 2.419 ( 0.998 -1.923 -3.528) 4.140 2.478 ( 1.116 -1.350 0.070) 1.753 2.496 ( 0.749 -1.861 -1.180) 2.328 2.640 ( 2.553 -2.815 -1.932) 4.264 2.710 ( 0.801 0.925 -2.878) 3.127 2.776 ( -0.138 -0.596 -3.007) 3.069 2.811 ( 1.498 -1.469 -1.065) 2.353 2.856 ( 0.455 -1.500 -1.917) 2.476 3.682 ( 0.303 1.679 -0.406) 1.754 3.768 ( -0.184 -2.736 1.702) 3.228 3.805 ( -2.718 -1.776 8.364) 8.972 3.841 ( -0.899 -1.562 1.901) 2.620 3.892 ( 0.102 0.984 -1.940) 2.177 3.944 ( 0.369 -1.041 -2.070) 2.346 4.106 ( -0.232 4.328 -0.573) 4.372 4.295 ( -0.120 -3.119 -0.934) 3.258 4.474 ( -0.092 -0.249 0.631) 0.685 4.491 ( -0.800 -1.042 2.990) 3.266 4.607 ( -0.889 1.808 2.396) 3.130 4.635 ( 0.888 0.784 -3.425) 3.625 4.681 ( -0.053 0.127 0.180) 0.227 4.701 ( 0.137 -0.645 -0.560) 0.865 4.783 ( 0.933 1.361 -3.172) 3.575 4.797 ( 0.047 3.289 0.009) 3.289 5.320 ( -1.313 0.328 1.636) 2.123 5.352 ( -3.217 0.643 9.453) 10.006 5.446 ( -1.527 -0.185 5.394) 5.610 5.461 ( -1.190 -1.497 5.118) 5.464 5.532 ( -0.001 9.684 0.088) 9.684 5.718 ( -0.348 11.991 3.105) 12.391 5.936 ( -0.039 0.541 -4.032) 4.068 5.946 ( 0.781 -0.796 -4.303) 4.445 6.004 ( -0.153 -6.124 -1.008) 6.208 6.176 ( 0.214 -4.780 -0.370) 4.799 6.283 ( 0.996 1.580 -2.234) 2.912 6.424 ( 0.760 -3.648 -3.024) 4.798 ======================= Grid point 46 (24/66) ======================= q-point: (-0.43 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -7.658 0.169 -4.330) 8.799 0.678 ( -4.170 6.463 1.611) 7.858 0.748 ( 0.413 -4.771 -0.873) 4.867 0.857 ( -0.492 4.738 -1.512) 4.998 0.860 ( 0.127 -1.902 -1.838) 2.649 0.927 ( -1.180 3.278 0.294) 3.496 0.993 ( -1.889 3.083 -2.451) 4.368 1.022 ( -3.387 1.729 -3.658) 5.277 1.054 ( -1.523 0.438 -4.007) 4.309 1.112 ( 0.080 0.736 -0.877) 1.148 1.132 ( -2.104 -2.832 -1.090) 3.693 1.160 ( 2.220 4.278 -2.910) 5.630 1.258 ( -0.203 -4.405 -0.276) 4.418 1.305 ( 1.879 0.202 -2.489) 3.125 1.334 ( 0.068 -1.727 -1.568) 2.333 1.377 ( 0.282 -1.081 -2.837) 3.049 1.432 ( 0.230 0.155 1.665) 1.688 1.459 ( 1.716 -0.877 -2.902) 3.483 1.508 ( -2.360 0.741 1.353) 2.819 1.597 ( 0.366 -0.304 -1.738) 1.801 1.639 ( -1.204 -2.252 -0.071) 2.555 1.663 ( -1.252 1.927 4.256) 4.836 1.693 ( -0.198 -4.440 0.811) 4.518 1.778 ( 0.087 0.487 3.951) 3.982 1.841 ( -0.607 -1.099 3.474) 3.694 1.879 ( 0.264 -0.397 2.806) 2.847 1.938 ( -1.172 3.650 2.441) 4.545 1.970 ( 2.699 0.854 1.728) 3.317 1.986 ( 0.693 -0.624 0.369) 1.003 2.048 ( 0.336 1.896 2.203) 2.926 2.079 ( -0.563 0.649 3.531) 3.634 2.140 ( -1.317 0.886 5.695) 5.912 2.196 ( 1.905 3.307 -2.017) 4.317 2.231 ( 1.036 -4.234 1.516) 4.615 2.296 ( 0.928 -1.978 -0.558) 2.255 2.371 ( 0.541 -0.384 1.321) 1.478 2.428 ( 1.606 -2.009 -1.959) 3.233 2.474 ( -1.908 -3.880 0.886) 4.414 2.490 ( -0.046 1.292 -3.241) 3.489 2.658 ( 0.100 -2.530 -0.696) 2.626 2.706 ( 0.553 0.756 -3.169) 3.305 2.770 ( 1.213 -1.948 -2.782) 3.606 2.825 ( 0.809 -0.594 -1.622) 1.908 2.858 ( 0.766 -1.252 -1.648) 2.207 3.680 ( -0.252 1.683 -0.499) 1.773 3.773 ( -0.419 -2.965 2.010) 3.607 3.801 ( -2.556 -1.812 7.986) 8.578 3.834 ( -0.953 -1.680 1.802) 2.642 3.881 ( 0.128 1.027 -2.091) 2.333 3.941 ( 0.473 -1.328 -1.984) 2.434 4.097 ( -0.268 4.535 -0.783) 4.609 4.289 ( 0.135 -3.140 -1.088) 3.326 4.475 ( -0.102 -0.358 0.515) 0.635 4.497 ( -0.477 -1.443 3.266) 3.603 4.602 ( -0.883 1.966 1.859) 2.846 4.636 ( 1.207 0.702 -3.570) 3.833 4.682 ( 0.174 0.096 0.221) 0.297 4.708 ( 0.731 -0.734 -0.227) 1.060 4.792 ( 1.723 1.528 -2.753) 3.589 4.820 ( 2.059 3.364 0.729) 4.011 5.325 ( 0.181 0.662 4.157) 4.213 5.358 ( -1.437 1.042 8.652) 8.833 5.445 ( -1.675 -0.147 5.129) 5.398 5.472 ( -0.669 -1.373 5.034) 5.261 5.531 ( -0.120 9.716 0.021) 9.717 5.741 ( 0.583 11.427 4.302) 12.224 5.919 ( 0.932 0.921 -4.967) 5.137 5.943 ( 1.483 -0.975 -4.621) 4.950 6.003 ( 0.565 -6.334 -0.832) 6.413 6.182 ( 0.483 -4.587 -0.126) 4.614 6.278 ( -0.207 1.488 -2.478) 2.898 6.416 ( 0.219 -3.756 -3.408) 5.076 ======================= Grid point 47 (25/66) ======================= q-point: (-0.29 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -8.041 3.645 -3.134) 9.368 0.587 ( -6.398 7.216 2.746) 10.027 0.734 ( -1.147 -6.004 -1.919) 6.406 0.820 ( -3.234 1.666 -0.540) 3.678 0.847 ( -1.388 7.693 0.840) 7.862 0.902 ( 0.089 -0.461 -3.266) 3.299 0.955 ( -3.244 3.538 1.178) 4.943 0.971 ( 0.850 3.617 -0.919) 3.828 1.001 ( -0.449 0.142 -4.316) 4.342 1.074 ( -3.886 -1.827 0.476) 4.320 1.129 ( 2.896 -2.998 -2.651) 4.940 1.188 ( 2.539 2.845 -2.316) 4.461 1.230 ( -2.311 -3.874 1.385) 4.719 1.334 ( 0.695 0.456 -1.764) 1.950 1.344 ( 2.302 -2.069 -1.646) 3.506 1.387 ( 2.548 -0.892 -1.254) 2.977 1.446 ( -0.108 0.671 2.166) 2.270 1.479 ( 2.285 -1.346 -3.523) 4.409 1.487 ( -0.028 0.379 -0.103) 0.394 1.583 ( -0.195 0.597 -1.551) 1.674 1.623 ( -0.495 -2.389 0.079) 2.441 1.666 ( -0.131 -0.355 0.400) 0.550 1.699 ( 0.205 -4.068 0.239) 4.080 1.783 ( -1.922 0.234 3.426) 3.935 1.841 ( -0.178 -1.464 -0.059) 1.476 1.890 ( -2.346 0.876 8.946) 9.290 1.945 ( 0.678 2.838 1.119) 3.125 2.000 ( 0.695 -0.655 0.200) 0.976 2.034 ( 3.020 1.784 0.633) 3.564 2.081 ( 1.678 1.373 3.517) 4.132 2.100 ( 0.920 0.728 2.026) 2.342 2.155 ( -0.345 -0.153 5.067) 5.081 2.200 ( 0.936 2.938 -2.493) 3.965 2.275 ( 2.000 -2.168 0.528) 2.996 2.306 ( -0.513 -3.777 -0.132) 3.814 2.367 ( -1.711 0.512 0.307) 1.812 2.415 ( -3.507 -1.555 -0.319) 3.850 2.442 ( 0.586 -3.130 -3.983) 5.100 2.475 ( 0.160 1.525 -1.575) 2.198 2.652 ( -0.147 -2.626 0.012) 2.630 2.697 ( 0.400 0.637 -2.862) 2.959 2.777 ( 0.728 -3.221 -2.438) 4.105 2.826 ( 0.591 0.424 -2.370) 2.479 2.865 ( 0.912 -0.950 -1.772) 2.208 3.670 ( -0.527 1.972 -0.170) 2.048 3.773 ( -0.914 -3.150 2.322) 4.019 3.801 ( -1.968 -2.126 7.688) 8.216 3.828 ( -0.606 -1.715 1.390) 2.289 3.878 ( 0.675 0.528 -1.465) 1.698 3.937 ( -0.154 -2.668 -0.577) 2.734 4.090 ( 0.035 4.758 -0.735) 4.815 4.289 ( 0.445 -3.202 -1.044) 3.397 4.475 ( -0.047 -0.475 0.015) 0.478 4.506 ( -0.550 -2.249 3.522) 4.215 4.598 ( -0.509 1.824 1.592) 2.473 4.638 ( 1.009 0.499 -3.315) 3.501 4.691 ( 0.567 0.344 0.118) 0.673 4.721 ( 0.804 -0.761 -0.406) 1.179 4.812 ( 1.993 1.611 -3.192) 4.094 4.873 ( 3.129 2.445 -0.016) 3.971 5.360 ( -1.467 1.267 10.502) 10.680 5.399 ( 1.698 1.895 5.980) 6.499 5.443 ( -1.307 -0.225 4.875) 5.052 5.491 ( 0.020 -1.260 4.169) 4.355 5.530 ( 0.008 9.895 -0.122) 9.896 5.796 ( 2.887 10.891 5.944) 12.739 5.918 ( 1.954 1.104 -5.178) 5.643 5.950 ( 2.023 -1.254 -4.605) 5.184 6.014 ( 0.921 -6.451 -0.678) 6.552 6.192 ( 0.704 -4.115 -0.085) 4.176 6.251 ( -1.184 1.378 -2.331) 2.956 6.390 ( -1.044 -4.379 -4.068) 6.067 ======================= Grid point 48 (26/66) ======================= q-point: (-0.14 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( -1.741 7.373 6.218) 9.801 0.482 ( -7.355 8.177 6.134) 12.594 0.687 ( -4.985 6.826 3.030) 8.979 0.749 ( -2.334 -0.562 4.846) 5.408 0.838 ( -1.200 0.386 0.941) 1.573 0.880 ( -0.095 2.648 -0.467) 2.691 0.941 ( 0.750 0.442 1.080) 1.387 0.987 ( 0.515 -0.847 -1.625) 1.904 1.014 ( -1.345 -0.407 1.118) 1.795 1.029 ( 4.174 1.629 -1.755) 4.811 1.171 ( 3.012 -3.910 -3.762) 6.206 1.213 ( 1.021 -0.196 0.225) 1.064 1.232 ( 2.146 1.208 -0.531) 2.520 1.323 ( -0.180 -0.569 -1.892) 1.984 1.390 ( 2.339 -1.465 0.498) 2.805 1.415 ( 0.812 -2.355 -1.858) 3.108 1.449 ( -0.948 0.069 2.566) 2.736 1.484 ( 0.432 -0.824 -1.327) 1.621 1.520 ( 3.046 -0.476 -2.672) 4.080 1.583 ( 1.018 1.197 -1.768) 2.365 1.615 ( -0.150 -2.366 -0.968) 2.560 1.657 ( -0.800 -0.023 -0.462) 0.924 1.699 ( 0.138 -4.415 -0.538) 4.450 1.765 ( -1.255 -0.874 2.960) 3.332 1.840 ( -0.031 -0.355 -0.353) 0.501 1.892 ( -2.210 -0.403 7.069) 7.418 1.952 ( -0.775 2.669 1.377) 3.102 2.010 ( -0.513 -0.826 1.275) 1.604 2.073 ( 0.528 3.378 2.068) 3.996 2.124 ( 0.793 0.310 0.046) 0.852 2.153 ( 3.405 -0.194 2.293) 4.110 2.172 ( -0.466 -1.423 3.352) 3.672 2.207 ( 1.068 3.497 -2.595) 4.484 2.270 ( -1.995 -0.110 0.403) 2.038 2.295 ( -2.034 -0.689 -0.120) 2.151 2.318 ( -1.735 0.014 -0.592) 1.833 2.346 ( -1.821 -2.654 -1.659) 3.621 2.437 ( 0.675 -2.392 -3.959) 4.675 2.468 ( 0.351 1.957 -2.535) 3.222 2.652 ( 0.099 -3.143 -1.077) 3.324 2.695 ( 0.800 -0.086 -1.839) 2.007 2.768 ( -0.021 -3.283 -2.773) 4.297 2.824 ( 0.696 1.034 -2.413) 2.716 2.869 ( 0.649 -0.589 -2.193) 2.362 3.661 ( -0.529 2.255 0.418) 2.354 3.766 ( -1.321 -3.067 2.795) 4.355 3.811 ( -1.247 -2.398 6.199) 6.763 3.828 ( -0.305 -1.753 1.783) 2.519 3.887 ( 0.763 0.142 -0.971) 1.243 3.931 ( -0.584 -4.712 1.689) 5.039 4.091 ( 0.388 4.813 -0.521) 4.857 4.293 ( 0.583 -3.279 -0.858) 3.440 4.475 ( 0.077 -0.469 -0.406) 0.625 4.513 ( -0.861 -2.787 3.477) 4.539 4.599 ( -0.387 1.608 1.718) 2.385 4.639 ( 1.010 0.410 -2.980) 3.174 4.700 ( 0.312 0.462 -0.248) 0.610 4.730 ( 0.489 -0.743 -0.753) 1.165 4.826 ( 1.585 1.628 -3.939) 4.547 4.920 ( 2.283 0.094 -2.443) 3.345 5.378 ( -3.206 1.336 12.242) 12.725 5.430 ( -0.997 0.600 3.525) 3.712 5.478 ( 0.478 1.117 5.884) 6.008 5.514 ( -0.011 -0.671 3.413) 3.478 5.534 ( 0.610 9.808 0.027) 9.827 5.922 ( 4.741 3.064 0.582) 5.675 5.939 ( 4.845 3.568 0.986) 6.098 5.963 ( 1.931 -1.504 -4.220) 4.878 6.025 ( 0.538 -6.005 -0.782) 6.080 6.201 ( -0.070 -2.986 -0.874) 3.112 6.218 ( -0.558 0.571 -1.242) 1.476 6.328 ( -2.969 -4.264 -3.985) 6.548 ======================= Grid point 49 (27/66) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.897 -5.392 4.594) 7.140 0.542 ( 0.897 5.392 4.594) 7.140 0.665 ( -1.431 -6.543 4.036) 7.820 0.665 ( -1.431 6.543 4.036) 7.820 0.921 ( 1.560 -3.158 1.361) 3.776 0.921 ( 1.560 3.158 1.361) 3.776 1.024 ( 2.561 -0.417 1.964) 3.254 1.024 ( 2.561 0.417 1.964) 3.254 1.102 ( 0.884 -7.801 0.210) 7.854 1.102 ( 0.884 7.801 0.210) 7.854 1.159 ( 2.092 -5.076 1.551) 5.705 1.159 ( 2.092 5.076 1.551) 5.705 1.280 ( -1.355 -1.715 -1.106) 2.450 1.280 ( -1.355 1.715 -1.106) 2.450 1.365 ( 1.378 -1.951 -1.831) 3.010 1.365 ( 1.378 1.951 -1.831) 3.010 1.472 ( 0.230 -2.004 -1.156) 2.325 1.472 ( 0.230 2.004 -1.156) 2.325 1.548 ( 0.498 -2.896 -1.599) 3.346 1.548 ( 0.498 2.896 -1.599) 3.346 1.626 ( -0.153 -1.965 1.046) 2.231 1.626 ( -0.153 1.965 1.046) 2.231 1.700 ( 1.087 -3.383 0.130) 3.556 1.700 ( 1.087 3.383 0.130) 3.556 1.849 ( -2.414 -1.275 3.362) 4.331 1.849 ( -2.414 1.275 3.362) 4.331 1.983 ( -1.578 -0.390 0.645) 1.749 1.983 ( -1.578 0.390 0.645) 1.749 2.122 ( -1.321 -0.629 -1.379) 2.011 2.122 ( -1.321 0.629 -1.379) 2.011 2.164 ( 0.117 -2.809 3.015) 4.123 2.164 ( 0.117 2.809 3.015) 4.123 2.233 ( -4.036 -2.156 -0.327) 4.588 2.233 ( -4.036 2.156 -0.327) 4.588 2.305 ( 2.441 -1.308 0.149) 2.773 2.305 ( 2.441 1.308 0.149) 2.773 2.371 ( 2.280 -3.333 -2.703) 4.859 2.371 ( 2.280 3.333 -2.703) 4.859 2.525 ( -0.651 -5.092 -3.949) 6.476 2.525 ( -0.651 5.092 -3.949) 6.476 2.712 ( 1.054 -1.284 -2.759) 3.220 2.712 ( 1.054 1.284 -2.759) 3.220 2.846 ( 0.564 -0.945 -2.974) 3.171 2.846 ( 0.564 0.945 -2.974) 3.171 3.706 ( -0.689 -1.843 1.746) 2.630 3.706 ( -0.689 1.843 1.746) 2.630 3.795 ( -1.445 -1.161 6.330) 6.596 3.795 ( -1.445 1.161 6.330) 6.596 3.898 ( 1.220 -0.476 -2.510) 2.831 3.898 ( 1.220 0.476 -2.510) 2.831 4.207 ( 0.522 -4.757 -0.670) 4.832 4.207 ( 0.522 4.757 -0.670) 4.832 4.475 ( -0.417 -0.717 1.403) 1.630 4.475 ( -0.417 0.717 1.403) 1.630 4.637 ( 0.244 -0.978 -0.392) 1.081 4.637 ( 0.244 0.978 -0.392) 1.081 4.712 ( -0.096 -0.779 -0.913) 1.204 4.712 ( -0.096 0.779 -0.913) 1.204 4.876 ( 0.482 -2.683 -3.886) 4.747 4.876 ( 0.482 2.683 -3.886) 4.747 5.412 ( -2.845 -1.512 8.856) 9.424 5.412 ( -2.845 1.512 8.856) 9.424 5.507 ( -2.141 -0.497 4.321) 4.848 5.507 ( -2.141 0.497 4.321) 4.848 5.796 ( 0.099 -11.587 -0.553) 11.601 5.796 ( 0.099 11.587 -0.553) 11.601 5.973 ( 1.597 -0.995 -3.395) 3.882 5.973 ( 1.597 0.995 -3.395) 3.882 6.088 ( -1.543 -6.081 -2.027) 6.593 6.088 ( -1.543 6.081 -2.027) 6.593 6.245 ( 2.213 -1.899 -0.697) 2.998 6.245 ( 2.213 1.899 -0.697) 2.998 ======================= Grid point 51 (28/66) ======================= q-point: ( 0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 2.826 -7.280 2.531) 8.209 0.592 ( 2.826 7.280 2.531) 8.209 0.697 ( 2.081 -6.951 2.923) 7.823 0.697 ( 2.081 6.951 2.923) 7.823 0.973 ( 2.447 -2.445 2.472) 4.252 0.973 ( 2.447 2.445 2.472) 4.252 1.059 ( -0.852 -5.639 0.917) 5.777 1.059 ( -0.852 5.639 0.917) 5.777 1.137 ( 2.222 -2.778 3.677) 5.116 1.137 ( 2.222 2.778 3.677) 5.116 1.207 ( 1.989 -7.457 2.299) 8.052 1.207 ( 1.989 7.457 2.299) 8.052 1.248 ( -1.565 -1.044 -0.299) 1.904 1.248 ( -1.565 1.044 -0.299) 1.904 1.362 ( -0.159 -0.728 -3.265) 3.349 1.362 ( -0.159 0.728 -3.265) 3.349 1.449 ( -1.510 -1.384 -2.313) 3.090 1.449 ( -1.510 1.384 -2.313) 3.090 1.560 ( 1.858 -2.656 -2.613) 4.163 1.560 ( 1.858 2.656 -2.613) 4.163 1.629 ( -0.275 -2.134 2.581) 3.360 1.629 ( -0.275 2.134 2.581) 3.360 1.725 ( 0.454 -3.587 1.690) 3.991 1.725 ( 0.454 3.587 1.690) 3.991 1.818 ( -2.285 -1.015 2.525) 3.553 1.818 ( -2.285 1.015 2.525) 3.553 1.961 ( -0.727 -1.707 0.530) 1.929 1.961 ( -0.727 1.707 0.530) 1.929 2.090 ( -0.949 -2.037 -2.146) 3.107 2.090 ( -0.949 2.037 -2.146) 3.107 2.151 ( -3.268 -3.137 -0.233) 4.536 2.151 ( -3.268 3.137 -0.233) 4.536 2.189 ( -0.696 -3.838 3.209) 5.051 2.189 ( -0.696 3.838 3.209) 5.051 2.333 ( 0.592 -2.032 0.155) 2.122 2.333 ( 0.592 2.032 0.155) 2.122 2.401 ( 2.012 -2.996 -2.684) 4.497 2.401 ( 2.012 2.996 -2.684) 4.497 2.496 ( 0.411 -5.198 -3.922) 6.524 2.496 ( 0.411 5.198 -3.922) 6.524 2.723 ( 1.602 -1.376 -2.183) 3.037 2.723 ( 1.602 1.376 -2.183) 3.037 2.835 ( 0.132 -0.988 -3.274) 3.422 2.835 ( 0.132 0.988 -3.274) 3.422 3.707 ( -0.230 -1.688 1.667) 2.384 3.707 ( -0.230 1.688 1.667) 2.384 3.802 ( -1.417 -1.432 5.781) 6.122 3.802 ( -1.417 1.432 5.781) 6.122 3.908 ( 1.258 -0.968 -2.296) 2.791 3.908 ( 1.258 0.968 -2.296) 2.791 4.212 ( 0.371 -4.678 -0.599) 4.731 4.212 ( 0.371 4.678 -0.599) 4.731 4.474 ( -0.545 -0.616 1.628) 1.824 4.474 ( -0.545 0.616 1.628) 1.824 4.639 ( 0.197 -0.960 -0.257) 1.013 4.639 ( 0.197 0.960 -0.257) 1.013 4.701 ( -0.380 -0.827 -0.903) 1.282 4.701 ( -0.380 0.827 -0.903) 1.282 4.855 ( -0.266 -2.204 -4.054) 4.622 4.855 ( -0.266 2.204 -4.054) 4.622 5.407 ( -2.944 -1.905 8.818) 9.490 5.407 ( -2.944 1.905 8.818) 9.490 5.467 ( -4.028 -1.323 3.604) 5.564 5.467 ( -4.028 1.323 3.604) 5.564 5.792 ( -0.176 -11.580 -0.559) 11.595 5.792 ( -0.176 11.580 -0.559) 11.595 5.978 ( 0.738 -0.727 -2.985) 3.159 5.978 ( 0.738 0.727 -2.985) 3.159 6.038 ( -1.885 -8.711 -1.990) 9.132 6.038 ( -1.885 8.711 -1.990) 9.132 6.293 ( 2.735 -3.222 -0.923) 4.326 6.293 ( 2.735 3.222 -0.923) 4.326 ======================= Grid point 53 (29/66) ======================= q-point: ( 0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 2.904 -4.839 0.709) 5.688 0.662 ( 2.904 4.839 0.709) 5.688 0.759 ( 3.510 -6.363 0.246) 7.271 0.759 ( 3.510 6.363 0.246) 7.271 1.020 ( -0.716 -2.046 0.356) 2.197 1.020 ( -0.716 2.046 0.356) 2.197 1.026 ( -0.252 -2.924 0.720) 3.022 1.026 ( -0.252 2.924 0.720) 3.022 1.171 ( -0.543 -2.714 0.579) 2.828 1.171 ( -0.543 2.714 0.579) 2.828 1.221 ( -1.488 -0.725 0.818) 1.847 1.221 ( -1.488 0.725 0.818) 1.847 1.266 ( 2.332 -6.134 2.452) 7.005 1.266 ( 2.332 6.134 2.452) 7.005 1.329 ( -0.850 -1.683 -3.660) 4.117 1.329 ( -0.850 1.683 -3.660) 4.117 1.413 ( -0.378 -0.585 -2.748) 2.835 1.413 ( -0.378 0.585 -2.748) 2.835 1.569 ( 0.497 -2.645 -1.981) 3.342 1.569 ( 0.497 2.645 -1.981) 3.342 1.647 ( 0.366 -2.574 1.947) 3.249 1.647 ( 0.366 2.574 1.947) 3.249 1.728 ( -1.626 -2.771 4.905) 5.864 1.728 ( -1.626 2.771 4.905) 5.864 1.808 ( -0.204 -1.223 2.157) 2.488 1.808 ( -0.204 1.223 2.157) 2.488 1.958 ( -0.298 -1.756 0.524) 1.856 1.958 ( -0.298 1.756 0.524) 1.856 2.062 ( -1.335 -3.214 -1.001) 3.621 2.062 ( -1.335 3.214 -1.001) 3.621 2.105 ( -1.009 -3.044 0.893) 3.329 2.105 ( -1.009 3.044 0.893) 3.329 2.185 ( -1.786 -4.086 2.997) 5.372 2.185 ( -1.786 4.086 2.997) 5.372 2.342 ( 0.283 -4.106 0.646) 4.166 2.342 ( 0.283 4.106 0.646) 4.166 2.397 ( -0.189 -2.852 -3.753) 4.718 2.397 ( -0.189 2.852 -3.753) 4.718 2.515 ( 3.043 -4.138 -2.314) 5.633 2.515 ( 3.043 4.138 -2.314) 5.633 2.742 ( 1.382 -1.983 -1.924) 3.089 2.742 ( 1.382 1.983 -1.924) 3.089 2.819 ( 0.215 -1.723 -3.164) 3.609 2.819 ( 0.215 1.723 -3.164) 3.609 3.714 ( 0.089 -1.603 1.233) 2.024 3.714 ( 0.089 1.603 1.233) 2.024 3.804 ( -1.653 -1.511 5.464) 5.905 3.804 ( -1.653 1.511 5.464) 5.905 3.916 ( 1.051 -1.123 -2.741) 3.143 3.916 ( 1.051 1.123 -2.741) 3.143 4.213 ( 0.100 -4.544 -0.734) 4.604 4.213 ( 0.100 4.544 -0.734) 4.604 4.473 ( -0.603 -0.454 1.972) 2.112 4.473 ( -0.603 0.454 1.972) 2.112 4.641 ( 0.147 -0.852 -0.264) 0.904 4.641 ( 0.147 0.852 -0.264) 0.904 4.691 ( -0.333 -0.705 -0.491) 0.922 4.691 ( -0.333 0.705 -0.491) 0.922 4.828 ( -0.175 -1.458 -3.651) 3.935 4.828 ( -0.175 1.458 -3.651) 3.935 5.383 ( -4.129 -1.238 5.923) 7.325 5.383 ( -4.129 1.238 5.923) 7.325 5.431 ( -2.235 -0.926 6.239) 6.692 5.431 ( -2.235 0.926 6.239) 6.692 5.786 ( -0.096 -11.403 -0.470) 11.414 5.786 ( -0.096 11.403 -0.470) 11.414 5.969 ( 0.202 -0.430 -3.244) 3.279 5.969 ( 0.202 0.430 -3.244) 3.279 6.004 ( -0.791 -10.558 -1.174) 10.652 6.004 ( -0.791 10.558 -1.174) 10.652 6.327 ( 1.756 -3.600 -1.856) 4.415 6.327 ( 1.756 3.600 -1.856) 4.415 ======================= Grid point 55 (30/66) ======================= q-point: ( 0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -0.203 -1.015 -0.864) 1.348 0.688 ( -0.203 1.014 -0.864) 1.348 0.802 ( 0.603 -4.194 -1.424) 4.470 0.802 ( 0.603 4.194 -1.424) 4.470 0.981 ( -0.270 -3.930 -1.378) 4.174 0.981 ( -0.270 3.931 -1.379) 4.174 1.052 ( 0.332 -2.543 -1.177) 2.821 1.052 ( 0.332 2.542 -1.177) 2.821 1.137 ( -1.692 -0.599 -2.513) 3.088 1.137 ( -1.692 0.599 -2.513) 3.088 1.192 ( -1.451 -0.182 -1.456) 2.064 1.192 ( -1.451 0.182 -1.456) 2.064 1.266 ( -0.744 -4.406 -2.234) 4.996 1.266 ( -0.744 4.406 -2.234) 4.996 1.332 ( 0.892 -1.518 -0.783) 1.928 1.332 ( 0.892 1.518 -0.784) 1.928 1.413 ( 1.415 -1.423 -0.824) 2.170 1.413 ( 1.415 1.423 -0.824) 2.169 1.564 ( -0.155 -2.999 -0.992) 3.162 1.564 ( -0.155 2.999 -0.992) 3.162 1.644 ( -1.709 -2.104 1.384) 3.043 1.644 ( -1.709 2.104 1.384) 3.043 1.733 ( -1.412 -2.349 6.816) 7.346 1.733 ( -1.412 2.349 6.816) 7.346 1.825 ( 0.482 -1.543 2.421) 2.912 1.825 ( 0.482 1.543 2.421) 2.912 1.959 ( 0.474 -1.080 0.757) 1.401 1.959 ( 0.474 1.080 0.757) 1.401 2.035 ( -1.066 -4.531 0.202) 4.660 2.035 ( -1.066 4.531 0.202) 4.660 2.108 ( -1.233 -1.466 3.163) 3.697 2.108 ( -1.233 1.466 3.163) 3.698 2.180 ( 0.456 -3.364 2.776) 4.386 2.180 ( 0.455 3.365 2.776) 4.386 2.348 ( 0.607 -3.291 -1.780) 3.790 2.348 ( 0.607 3.291 -1.780) 3.790 2.378 ( -0.282 -3.610 -0.069) 3.621 2.378 ( -0.282 3.610 -0.069) 3.621 2.558 ( 2.472 -4.009 -2.359) 5.267 2.558 ( 2.472 4.009 -2.359) 5.267 2.744 ( 0.254 -1.823 -2.795) 3.347 2.744 ( 0.254 1.823 -2.795) 3.347 2.817 ( 1.154 -1.512 -2.121) 2.849 2.817 ( 1.154 1.512 -2.121) 2.849 3.720 ( -0.044 -1.633 0.714) 1.783 3.720 ( -0.044 1.633 0.714) 1.783 3.801 ( -1.968 -1.420 5.527) 6.036 3.801 ( -1.968 1.420 5.527) 6.036 3.917 ( 0.830 -1.263 -3.422) 3.741 3.917 ( 0.830 1.263 -3.422) 3.741 4.208 ( -0.074 -4.454 -0.991) 4.563 4.208 ( -0.074 4.454 -0.991) 4.563 4.474 ( -0.596 -0.352 2.172) 2.279 4.474 ( -0.596 0.352 2.172) 2.279 4.642 ( 0.079 -0.711 -0.428) 0.834 4.642 ( 0.079 0.711 -0.428) 0.834 4.685 ( -0.019 -0.525 -0.139) 0.543 4.685 ( -0.019 0.525 -0.139) 0.543 4.816 ( 0.931 -1.026 -2.767) 3.095 4.816 ( 0.931 1.026 -2.767) 3.095 5.350 ( -2.172 -1.286 4.690) 5.326 5.350 ( -2.172 1.286 4.690) 5.326 5.434 ( -1.935 -0.312 7.751) 7.995 5.434 ( -1.935 0.312 7.751) 7.995 5.783 ( 0.062 -11.225 -0.387) 11.232 5.783 ( 0.062 11.225 -0.387) 11.232 5.951 ( 0.164 -0.593 -4.126) 4.171 5.951 ( 0.164 0.593 -4.126) 4.171 5.997 ( 0.309 -10.936 -0.275) 10.943 5.997 ( 0.309 10.936 -0.275) 10.943 6.339 ( 0.860 -3.399 -2.523) 4.320 6.339 ( 0.860 3.399 -2.523) 4.320 ======================= Grid point 57 (31/66) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -3.431 -3.991 -3.499) 6.320 0.641 ( -3.431 3.991 -3.499) 6.320 0.785 ( -0.555 -3.723 -1.709) 4.134 0.785 ( -0.555 3.723 -1.709) 4.134 0.985 ( 0.658 -3.841 -3.369) 5.151 0.985 ( 0.658 3.841 -3.369) 5.151 1.006 ( -1.754 -3.207 -4.015) 5.430 1.006 ( -1.754 3.207 -4.015) 5.429 1.094 ( -2.677 -1.822 -1.000) 3.390 1.094 ( -2.677 1.822 -1.000) 3.390 1.162 ( -1.195 -4.294 -0.399) 4.475 1.162 ( -1.195 4.294 -0.399) 4.475 1.272 ( 2.096 -4.412 -0.941) 4.975 1.272 ( 2.096 4.412 -0.941) 4.975 1.324 ( -0.021 -1.616 -2.916) 3.334 1.324 ( -0.021 1.616 -2.916) 3.334 1.438 ( 1.126 -0.751 0.045) 1.354 1.438 ( 1.126 0.751 0.045) 1.354 1.552 ( -0.397 -3.722 -1.240) 3.943 1.552 ( -0.397 3.722 -1.240) 3.943 1.615 ( -1.668 -1.881 1.219) 2.795 1.615 ( -1.668 1.881 1.219) 2.795 1.738 ( -1.597 -3.754 4.545) 6.107 1.738 ( -1.597 3.754 4.545) 6.107 1.849 ( 0.364 -2.221 3.479) 4.143 1.849 ( 0.364 2.221 3.479) 4.143 1.980 ( 0.108 -0.416 2.648) 2.682 1.980 ( 0.108 0.416 2.648) 2.682 2.038 ( 1.632 -3.992 0.677) 4.366 2.038 ( 1.632 3.992 0.677) 4.366 2.099 ( -0.996 -1.719 3.199) 3.765 2.099 ( -0.996 1.719 3.199) 3.765 2.215 ( 0.922 -2.437 2.665) 3.728 2.215 ( 0.922 2.437 2.665) 3.728 2.345 ( 0.797 -4.744 -3.852) 6.163 2.345 ( 0.797 4.744 -3.852) 6.163 2.389 ( 0.497 -1.252 2.170) 2.554 2.389 ( 0.497 1.252 2.170) 2.554 2.569 ( -0.009 -4.657 -1.791) 4.990 2.569 ( -0.009 4.657 -1.791) 4.990 2.732 ( 0.461 -1.446 -3.260) 3.596 2.732 ( 0.461 1.446 -3.260) 3.596 2.830 ( 1.224 -0.907 -1.794) 2.354 2.830 ( 1.224 0.907 -1.794) 2.354 3.720 ( -0.256 -1.832 0.468) 1.908 3.720 ( -0.256 1.832 0.468) 1.908 3.793 ( -2.121 -1.297 5.645) 6.168 3.793 ( -2.121 1.297 5.645) 6.168 3.910 ( 0.593 -1.448 -3.660) 3.980 3.910 ( 0.593 1.448 -3.660) 3.980 4.201 ( 0.043 -4.505 -1.119) 4.642 4.201 ( 0.043 4.505 -1.119) 4.642 4.474 ( -0.578 -0.422 2.020) 2.143 4.474 ( -0.578 0.422 2.020) 2.143 4.639 ( -0.043 -0.864 -0.652) 1.083 4.639 ( -0.043 0.864 -0.652) 1.083 4.690 ( 0.612 -0.687 -0.119) 0.927 4.690 ( 0.612 0.687 -0.119) 0.927 4.831 ( 1.997 -1.440 -2.088) 3.228 4.831 ( 1.997 1.440 -2.088) 3.228 5.359 ( 0.020 -1.463 5.887) 6.066 5.359 ( 0.020 1.463 5.887) 6.066 5.441 ( -1.868 -0.939 7.383) 7.673 5.441 ( -1.868 0.939 7.383) 7.673 5.784 ( 0.206 -11.288 -0.415) 11.297 5.784 ( 0.206 11.288 -0.415) 11.297 5.938 ( 1.154 -0.958 -4.631) 4.867 5.938 ( 1.154 0.958 -4.631) 4.867 6.009 ( 1.033 -10.430 0.238) 10.484 6.009 ( 1.033 10.430 0.238) 10.484 6.331 ( -0.170 -3.299 -2.880) 4.383 6.331 ( -0.170 3.299 -2.880) 4.383 ======================= Grid point 59 (32/66) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -3.339 -7.455 -3.079) 8.729 0.551 ( -3.339 7.455 -3.079) 8.729 0.761 ( -1.936 -5.857 -0.017) 6.168 0.761 ( -1.936 5.857 -0.017) 6.168 0.939 ( -0.967 -3.274 -5.401) 6.389 0.939 ( -0.967 3.274 -5.401) 6.389 1.002 ( 1.038 -4.010 -2.324) 4.749 1.002 ( 1.038 4.010 -2.324) 4.749 1.039 ( -1.558 -2.891 -0.211) 3.291 1.039 ( -1.558 2.891 -0.211) 3.291 1.138 ( -1.724 -5.565 1.427) 5.998 1.138 ( -1.724 5.565 1.427) 5.998 1.299 ( 1.022 -1.831 0.414) 2.137 1.299 ( 1.022 1.831 0.414) 2.137 1.324 ( 1.197 -2.714 -2.414) 3.825 1.324 ( 1.197 2.714 -2.414) 3.825 1.454 ( 0.760 -0.515 -0.073) 0.921 1.454 ( 0.760 0.515 -0.073) 0.921 1.540 ( 0.082 -3.884 -1.456) 4.149 1.540 ( 0.082 3.884 -1.456) 4.149 1.606 ( 0.555 -1.755 -0.680) 1.962 1.606 ( 0.555 1.755 -0.680) 1.962 1.723 ( -1.911 -3.669 2.117) 4.647 1.723 ( -1.911 3.669 2.117) 4.647 1.869 ( -0.790 -2.306 4.317) 4.957 1.869 ( -0.790 2.306 4.317) 4.957 1.990 ( -0.274 -1.040 2.597) 2.811 1.990 ( -0.274 1.040 2.597) 2.811 2.092 ( 2.472 -1.665 2.254) 3.737 2.092 ( 2.472 1.665 2.254) 3.737 2.112 ( 1.037 -1.802 1.597) 2.622 2.112 ( 1.037 1.802 1.597) 2.622 2.238 ( 0.404 -2.521 1.706) 3.071 2.238 ( 0.404 2.521 1.706) 3.071 2.338 ( 0.477 -5.108 -2.879) 5.882 2.338 ( 0.477 5.108 -2.879) 5.882 2.391 ( -1.493 -1.280 -0.442) 2.016 2.391 ( -1.493 1.280 -0.442) 2.016 2.555 ( -0.182 -5.125 -0.816) 5.193 2.555 ( -0.182 5.125 -0.816) 5.193 2.723 ( 0.429 -1.664 -3.281) 3.703 2.723 ( 0.429 1.664 -3.281) 3.703 2.841 ( 1.131 -0.929 -2.152) 2.603 2.841 ( 1.131 0.929 -2.152) 2.603 3.717 ( -0.481 -2.019 0.751) 2.207 3.717 ( -0.481 2.019 0.751) 2.207 3.787 ( -1.928 -1.202 5.916) 6.337 3.787 ( -1.928 1.202 5.916) 6.337 3.900 ( 0.491 -1.262 -3.405) 3.664 3.900 ( 0.491 1.262 -3.405) 3.664 4.198 ( 0.313 -4.647 -1.033) 4.771 4.198 ( 0.313 4.647 -1.033) 4.771 4.474 ( -0.496 -0.576 1.652) 1.818 4.474 ( -0.496 0.576 1.652) 1.818 4.635 ( 0.096 -0.967 -0.688) 1.190 4.635 ( 0.096 0.967 -0.688) 1.190 4.703 ( 0.810 -0.751 -0.288) 1.142 4.703 ( 0.810 0.751 -0.288) 1.142 4.859 ( 2.118 -2.215 -2.388) 3.885 4.859 ( 2.118 2.215 -2.388) 3.885 5.401 ( -0.715 -2.090 8.990) 9.258 5.401 ( -0.715 2.090 8.990) 9.258 5.453 ( -0.068 -2.002 5.146) 5.523 5.453 ( -0.068 2.002 5.146) 5.523 5.787 ( 0.429 -11.500 -0.495) 11.518 5.787 ( 0.429 11.500 -0.495) 11.518 5.943 ( 2.017 -1.243 -4.548) 5.128 5.943 ( 2.017 1.243 -4.548) 5.128 6.039 ( 1.976 -9.323 0.463) 9.541 6.039 ( 1.976 9.323 0.463) 9.541 6.300 ( -1.408 -3.169 -3.057) 4.623 6.300 ( -1.408 3.169 -3.057) 4.623 ======================= Grid point 61 (33/66) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -0.364 -8.250 1.988) 8.494 0.512 ( -0.364 8.250 1.988) 8.494 0.707 ( -4.314 -7.896 2.779) 9.417 0.707 ( -4.314 7.896 2.779) 9.417 0.908 ( 0.131 -3.823 -2.425) 4.530 0.908 ( 0.131 3.823 -2.425) 4.530 0.991 ( -0.317 -1.543 1.480) 2.162 0.991 ( -0.317 1.543 1.480) 2.162 1.068 ( 3.832 -4.033 -3.350) 6.494 1.068 ( 3.832 4.033 -3.350) 6.494 1.126 ( -0.183 -5.568 2.136) 5.967 1.126 ( -0.183 5.568 2.136) 5.967 1.306 ( -0.781 -2.561 -0.490) 2.722 1.306 ( -0.781 2.561 -0.490) 2.722 1.339 ( 1.861 -4.095 -0.904) 4.588 1.339 ( 1.861 4.095 -0.904) 4.588 1.467 ( 0.620 -1.413 -0.408) 1.596 1.467 ( 0.620 1.413 -0.408) 1.596 1.543 ( 0.949 -3.398 -1.417) 3.802 1.543 ( 0.949 3.398 -1.417) 3.802 1.619 ( 0.888 -2.041 -0.760) 2.352 1.619 ( 0.888 2.041 -0.760) 2.352 1.699 ( -1.198 -3.361 0.735) 3.643 1.699 ( -1.198 3.361 0.735) 3.643 1.867 ( -1.728 -1.650 3.902) 4.576 1.867 ( -1.728 1.650 3.902) 4.576 1.997 ( -0.524 -1.434 1.680) 2.270 1.997 ( -0.524 1.434 1.680) 2.270 2.131 ( 0.574 -0.365 2.119) 2.225 2.131 ( 0.574 0.365 2.119) 2.225 2.147 ( 0.860 -1.748 1.197) 2.286 2.147 ( 0.860 1.748 1.197) 2.286 2.257 ( 1.356 -0.672 0.719) 1.676 2.257 ( 1.356 0.672 0.719) 1.676 2.314 ( -3.312 -0.832 -0.734) 3.493 2.314 ( -3.312 0.832 -0.734) 3.493 2.355 ( 0.857 -4.182 -3.502) 5.522 2.355 ( 0.857 4.182 -3.502) 5.522 2.549 ( -0.051 -5.035 -1.970) 5.407 2.549 ( -0.051 5.035 -1.970) 5.407 2.714 ( 0.552 -1.632 -3.152) 3.592 2.714 ( 0.552 1.632 -3.152) 3.592 2.847 ( 0.930 -1.068 -2.590) 2.952 2.847 ( 0.930 1.068 -2.590) 2.952 3.711 ( -0.734 -2.003 1.337) 2.517 3.711 ( -0.734 2.003 1.337) 2.517 3.788 ( -1.629 -1.055 6.392) 6.681 3.788 ( -1.629 1.055 6.392) 6.681 3.894 ( 0.791 -0.564 -3.009) 3.162 3.894 ( 0.791 0.564 -3.009) 3.162 4.201 ( 0.500 -4.748 -0.849) 4.849 4.201 ( 0.500 4.748 -0.849) 4.849 4.474 ( -0.392 -0.699 1.399) 1.612 4.474 ( -0.392 0.699 1.399) 1.612 4.635 ( 0.239 -0.967 -0.554) 1.140 4.635 ( 0.239 0.967 -0.554) 1.140 4.713 ( 0.434 -0.726 -0.616) 1.046 4.713 ( 0.434 0.726 -0.616) 1.046 4.878 ( 1.447 -2.697 -3.225) 4.446 4.878 ( 1.447 2.697 -3.225) 4.446 5.415 ( -2.812 -1.678 9.389) 9.944 5.415 ( -2.812 1.678 9.389) 9.944 5.494 ( 0.715 -0.915 4.680) 4.821 5.494 ( 0.715 0.915 4.680) 4.821 5.793 ( 0.481 -11.597 -0.515) 11.619 5.793 ( 0.481 11.597 -0.515) 11.619 5.958 ( 2.125 -1.242 -4.049) 4.738 5.958 ( 2.125 1.242 -4.049) 4.738 6.084 ( 2.273 -6.868 -0.009) 7.234 6.084 ( 2.273 6.868 -0.009) 7.234 6.252 ( -1.640 -2.320 -2.612) 3.859 6.252 ( -1.640 2.320 -2.612) 3.859 ======================= Grid point 70 (34/66) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -8.666 0.000 12.935) 15.570 0.608 ( -1.590 0.000 13.714) 13.806 0.820 ( 0.004 0.000 17.297) 17.297 0.865 ( -1.817 0.000 2.143) 2.809 0.911 ( 2.994 0.000 1.424) 3.315 0.924 ( 6.793 0.000 -5.176) 8.540 1.022 ( 0.747 0.000 -0.696) 1.021 1.035 ( 1.177 0.000 3.376) 3.576 1.036 ( 1.749 0.000 3.013) 3.484 1.094 ( 4.035 0.000 1.685) 4.373 1.198 ( -0.067 0.000 0.779) 0.782 1.201 ( 0.800 0.000 -3.256) 3.353 1.269 ( 0.573 0.000 0.766) 0.957 1.325 ( 2.337 0.000 -2.148) 3.174 1.338 ( 1.468 0.000 -3.720) 3.999 1.401 ( 4.328 0.000 -1.001) 4.442 1.462 ( -2.125 0.000 -3.073) 3.736 1.482 ( -1.569 0.000 2.983) 3.371 1.523 ( -2.217 0.000 -4.245) 4.789 1.545 ( -0.405 0.000 0.836) 0.929 1.601 ( 0.034 0.000 1.737) 1.737 1.642 ( -2.033 0.000 1.646) 2.616 1.724 ( 1.214 0.000 -6.188) 6.306 1.810 ( -0.802 0.000 6.161) 6.213 1.832 ( -0.151 0.000 -5.178) 5.180 1.910 ( 0.755 0.000 2.744) 2.846 1.992 ( -1.377 0.000 2.132) 2.538 1.997 ( -0.977 0.000 -1.254) 1.590 2.107 ( -4.630 0.000 2.094) 5.082 2.108 ( 0.849 0.000 -1.881) 2.063 2.122 ( -2.619 0.000 0.771) 2.730 2.153 ( -3.796 0.000 -0.886) 3.898 2.219 ( 1.772 0.000 -2.790) 3.305 2.221 ( 0.337 0.000 0.757) 0.829 2.275 ( 2.942 0.000 -4.814) 5.642 2.286 ( 0.759 0.000 -1.894) 2.040 2.360 ( -1.869 0.000 1.777) 2.579 2.370 ( 3.713 0.000 3.386) 5.025 2.448 ( 0.562 0.000 -0.381) 0.679 2.595 ( -0.930 0.000 -5.635) 5.711 2.738 ( 0.937 0.000 -1.522) 1.787 2.746 ( -0.635 0.000 0.082) 0.641 2.777 ( 0.823 0.000 -2.525) 2.656 2.809 ( 0.867 0.000 -3.186) 3.302 3.660 ( -0.918 0.000 2.335) 2.509 3.789 ( 1.939 0.000 -3.544) 4.040 3.854 ( 0.613 0.000 0.092) 0.619 3.855 ( -1.181 0.000 0.887) 1.477 3.914 ( -0.908 0.000 3.391) 3.510 4.022 ( 1.180 0.000 -1.121) 1.627 4.202 ( -2.208 0.000 4.011) 4.578 4.324 ( 0.981 0.000 -1.541) 1.827 4.467 ( 0.445 0.000 -0.433) 0.621 4.526 ( 0.666 0.000 -2.987) 3.060 4.572 ( -0.758 0.000 1.129) 1.360 4.676 ( 0.197 0.000 -1.843) 1.854 4.697 ( 0.427 0.000 -0.975) 1.064 4.727 ( -0.700 0.000 1.706) 1.844 4.746 ( 0.450 0.000 -2.461) 2.502 4.813 ( -0.729 0.000 -2.110) 2.233 5.401 ( -0.029 0.000 0.045) 0.054 5.407 ( 0.108 0.000 -0.158) 0.191 5.557 ( -3.473 0.000 5.559) 6.555 5.593 ( -2.048 0.000 4.274) 4.740 5.638 ( -4.291 0.000 12.904) 13.599 5.848 ( 3.950 0.000 -4.901) 6.294 5.862 ( 0.684 0.000 -5.596) 5.638 5.976 ( -4.214 0.000 -2.095) 4.707 6.113 ( -1.607 0.000 -0.866) 1.826 6.164 ( 1.509 0.000 -1.933) 2.452 6.251 ( -0.606 0.000 0.809) 1.011 6.328 ( 4.108 0.000 -2.796) 4.969 ======================= Grid point 71 (35/66) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -1.025 0.000 9.354) 9.410 0.678 ( 0.769 0.000 13.387) 13.409 0.842 ( -1.189 0.000 3.303) 3.511 0.901 ( 0.200 0.000 4.601) 4.605 0.920 ( -2.177 0.000 1.496) 2.641 0.987 ( 1.749 0.000 -4.300) 4.642 1.024 ( -0.858 0.000 -1.288) 1.547 1.062 ( 0.599 0.000 0.160) 0.620 1.077 ( 1.509 0.000 2.192) 2.661 1.134 ( -1.722 0.000 -0.911) 1.948 1.175 ( 0.106 0.000 -3.118) 3.120 1.201 ( -0.170 0.000 1.064) 1.077 1.304 ( 1.942 0.000 1.417) 2.404 1.337 ( 0.767 0.000 -4.468) 4.533 1.373 ( 3.130 0.000 -4.190) 5.230 1.399 ( -2.257 0.000 0.691) 2.360 1.438 ( -2.997 0.000 -0.459) 3.032 1.476 ( 1.626 0.000 1.494) 2.208 1.490 ( 1.233 0.000 -3.431) 3.646 1.520 ( -1.900 0.000 0.483) 1.961 1.605 ( -0.489 0.000 1.617) 1.690 1.662 ( 2.143 0.000 5.189) 5.614 1.739 ( 4.168 0.000 -7.815) 8.857 1.783 ( -0.871 0.000 -3.286) 3.400 1.836 ( -0.424 0.000 6.506) 6.520 1.920 ( -2.973 0.000 5.022) 5.836 1.957 ( -3.207 0.000 0.392) 3.231 1.972 ( -0.704 0.000 -0.712) 1.001 2.046 ( -1.625 0.000 1.416) 2.156 2.056 ( -3.465 0.000 2.239) 4.125 2.101 ( 1.255 0.000 -3.288) 3.519 2.112 ( -1.922 0.000 -0.485) 1.983 2.247 ( 2.166 0.000 -3.706) 4.292 2.251 ( 0.720 0.000 1.878) 2.012 2.296 ( 0.810 0.000 0.602) 1.010 2.317 ( 4.310 0.000 -4.452) 6.196 2.350 ( -0.549 0.000 3.018) 3.068 2.433 ( -0.239 0.000 0.071) 0.249 2.479 ( 3.901 0.000 2.254) 4.506 2.556 ( 0.702 0.000 -6.105) 6.145 2.713 ( -2.162 0.000 0.853) 2.324 2.751 ( 0.943 0.000 -1.154) 1.490 2.796 ( 2.090 0.000 -3.417) 4.005 2.804 ( 0.518 0.000 -3.199) 3.241 3.656 ( -0.614 0.000 1.771) 1.874 3.800 ( 1.314 0.000 -3.691) 3.918 3.844 ( -0.532 0.000 1.000) 1.133 3.864 ( 0.251 0.000 0.266) 0.366 3.919 ( -0.415 0.000 2.717) 2.748 4.036 ( 0.926 0.000 -1.253) 1.558 4.168 ( -3.975 0.000 5.027) 6.409 4.328 ( 0.354 0.000 -1.619) 1.657 4.472 ( 0.271 0.000 -0.526) 0.592 4.521 ( 0.562 0.000 -2.504) 2.566 4.560 ( -1.079 0.000 0.887) 1.397 4.672 ( 0.241 0.000 -1.150) 1.174 4.695 ( 0.052 0.000 -1.052) 1.054 4.727 ( -0.333 0.000 2.035) 2.062 4.740 ( 0.342 0.000 -2.135) 2.162 4.776 ( -2.404 0.000 -0.037) 2.404 5.401 ( 0.008 0.000 0.018) 0.020 5.406 ( -0.098 0.000 -0.287) 0.303 5.505 ( -5.096 0.000 5.414) 7.435 5.574 ( -2.863 0.000 5.038) 5.795 5.629 ( -3.792 0.000 12.295) 12.866 5.819 ( -3.805 0.000 2.476) 4.540 5.879 ( 1.958 0.000 -4.521) 4.927 5.899 ( -2.350 0.000 -0.722) 2.458 6.076 ( -0.946 0.000 -3.545) 3.669 6.185 ( 1.569 0.000 -1.535) 2.195 6.239 ( -0.873 0.000 0.246) 0.907 6.371 ( 2.710 0.000 -4.732) 5.454 ======================= Grid point 72 (36/66) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 7.725 0.000 2.699) 8.182 0.767 ( 0.551 0.000 12.634) 12.646 0.829 ( -3.517 0.000 2.549) 4.344 0.873 ( -3.005 0.000 2.013) 3.617 0.914 ( 2.751 0.000 -3.610) 4.538 0.960 ( -1.574 0.000 -6.045) 6.247 0.981 ( -1.899 0.000 -2.924) 3.487 1.031 ( -3.801 0.000 0.003) 3.801 1.054 ( -3.517 0.000 -5.312) 6.371 1.087 ( -0.940 0.000 -1.636) 1.887 1.146 ( -2.993 0.000 -0.747) 3.085 1.195 ( -1.100 0.000 -0.261) 1.131 1.323 ( 0.473 0.000 -3.967) 3.995 1.325 ( -1.585 0.000 -1.740) 2.354 1.351 ( -0.407 0.000 -3.108) 3.134 1.371 ( -1.584 0.000 -1.908) 2.480 1.417 ( 0.795 0.000 1.233) 1.467 1.498 ( -0.439 0.000 1.219) 1.296 1.506 ( 2.818 0.000 -2.082) 3.504 1.518 ( 0.924 0.000 1.809) 2.032 1.607 ( -0.724 0.000 2.352) 2.461 1.749 ( 3.018 0.000 6.832) 7.469 1.751 ( 1.412 0.000 -3.590) 3.858 1.810 ( 3.999 0.000 -4.933) 6.350 1.842 ( -2.696 0.000 4.071) 4.882 1.889 ( -1.912 0.000 3.597) 4.074 1.907 ( -2.063 0.000 2.226) 3.035 1.968 ( 0.428 0.000 0.441) 0.615 2.030 ( -1.775 0.000 4.442) 4.783 2.059 ( 1.899 0.000 0.373) 1.935 2.075 ( -1.655 0.000 0.769) 1.825 2.126 ( 2.135 0.000 0.038) 2.135 2.238 ( -0.130 0.000 -4.671) 4.673 2.253 ( -1.571 0.000 3.166) 3.534 2.331 ( 1.475 0.000 3.355) 3.665 2.364 ( 0.712 0.000 0.531) 0.888 2.366 ( 2.032 0.000 -0.985) 2.258 2.411 ( -1.001 0.000 -2.004) 2.241 2.559 ( 2.800 0.000 2.557) 3.792 2.569 ( 3.759 0.000 -4.485) 5.852 2.685 ( -1.482 0.000 0.792) 1.681 2.751 ( -0.245 0.000 -1.543) 1.562 2.799 ( 0.913 0.000 -3.298) 3.422 2.810 ( 1.582 0.000 -3.843) 4.156 3.658 ( -0.077 0.000 1.049) 1.052 3.796 ( 0.508 0.000 -3.883) 3.916 3.846 ( 0.143 0.000 1.002) 1.012 3.866 ( -0.266 0.000 0.371) 0.457 3.929 ( 0.244 0.000 1.590) 1.608 4.040 ( 0.207 0.000 -1.403) 1.419 4.120 ( -4.544 0.000 7.102) 8.431 4.320 ( -0.076 0.000 -1.942) 1.943 4.471 ( 0.016 0.000 -0.597) 0.598 4.520 ( 0.856 0.000 -2.967) 3.088 4.546 ( -1.012 0.000 1.572) 1.870 4.671 ( 0.351 0.000 -1.806) 1.840 4.688 ( -0.486 0.000 0.234) 0.539 4.734 ( -0.037 0.000 0.349) 0.351 4.736 ( -2.173 0.000 2.524) 3.331 4.737 ( 0.325 0.000 0.003) 0.325 5.393 ( -1.440 0.000 0.413) 1.498 5.401 ( -0.039 0.000 -0.083) 0.092 5.453 ( -3.014 0.000 5.103) 5.927 5.548 ( -3.171 0.000 6.622) 7.342 5.634 ( -2.875 0.000 11.453) 11.809 5.786 ( -2.833 0.000 8.274) 8.746 5.865 ( -0.519 0.000 -5.355) 5.380 5.867 ( -0.366 0.000 -2.981) 3.004 6.041 ( -0.191 0.000 -4.799) 4.803 6.199 ( 1.267 0.000 -3.286) 3.522 6.230 ( -0.214 0.000 0.686) 0.719 6.383 ( 1.693 0.000 -5.134) 5.406 ======================= Grid point 73 (37/66) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -1.236 0.000 -4.207) 4.385 0.766 ( 1.394 0.000 3.519) 3.785 0.795 ( -4.225 0.000 9.304) 10.218 0.852 ( -2.268 0.000 0.747) 2.388 0.866 ( -3.365 0.000 -6.056) 6.928 0.931 ( -0.644 0.000 -4.248) 4.297 0.954 ( -4.398 0.000 1.738) 4.729 0.982 ( -0.610 0.000 -3.734) 3.783 0.982 ( 4.749 0.000 -2.357) 5.302 1.047 ( -1.151 0.000 -2.150) 2.439 1.074 ( -3.422 0.000 -0.864) 3.529 1.158 ( -1.669 0.000 -2.725) 3.195 1.240 ( -2.544 0.000 -6.058) 6.570 1.318 ( 1.967 0.000 -5.697) 6.027 1.339 ( 0.496 0.000 -1.037) 1.150 1.362 ( -0.330 0.000 -0.788) 0.855 1.426 ( -1.594 0.000 2.632) 3.076 1.496 ( -1.191 0.000 3.807) 3.989 1.546 ( 0.484 0.000 1.928) 1.988 1.555 ( 3.771 0.000 -3.262) 4.986 1.604 ( -0.608 0.000 1.878) 1.973 1.758 ( 0.692 0.000 -1.732) 1.865 1.801 ( -3.022 0.000 4.691) 5.580 1.822 ( -0.215 0.000 4.435) 4.440 1.832 ( 1.626 0.000 -4.689) 4.963 1.889 ( -1.427 0.000 3.700) 3.966 1.901 ( 1.429 0.000 0.357) 1.473 1.980 ( 0.565 0.000 -0.256) 0.620 2.037 ( 0.040 0.000 4.064) 4.064 2.066 ( -0.628 0.000 2.989) 3.054 2.097 ( 0.848 0.000 2.552) 2.689 2.162 ( 0.193 0.000 1.694) 1.705 2.228 ( 1.696 0.000 -0.664) 1.822 2.245 ( -1.332 0.000 4.885) 5.063 2.362 ( -1.492 0.000 -0.987) 1.789 2.366 ( 1.648 0.000 -2.666) 3.134 2.391 ( 1.750 0.000 2.546) 3.089 2.398 ( 0.522 0.000 -1.274) 1.377 2.598 ( -0.514 0.000 2.156) 2.216 2.626 ( 3.773 0.000 -2.662) 4.617 2.665 ( -0.583 0.000 -0.104) 0.593 2.734 ( 0.122 0.000 -2.290) 2.294 2.797 ( 0.754 0.000 -3.482) 3.562 2.816 ( 1.464 0.000 -3.913) 4.178 3.663 ( 0.005 0.000 0.709) 0.709 3.779 ( 0.103 0.000 -3.974) 3.975 3.859 ( -0.657 0.000 0.296) 0.721 3.859 ( 0.586 0.000 1.142) 1.284 3.938 ( -0.121 0.000 0.456) 0.472 4.028 ( -0.531 0.000 -1.519) 1.609 4.092 ( -2.860 0.000 9.082) 9.522 4.307 ( 0.029 0.000 -2.231) 2.232 4.470 ( 0.276 0.000 -0.606) 0.666 4.519 ( 1.136 0.000 -4.052) 4.208 4.545 ( -0.377 0.000 2.583) 2.610 4.657 ( -0.763 0.000 -1.100) 1.339 4.686 ( 0.017 0.000 0.423) 0.423 4.732 ( 0.243 0.000 -1.118) 1.144 4.732 ( -0.072 0.000 3.128) 3.129 4.748 ( 0.154 0.000 1.377) 1.385 5.374 ( -0.812 0.000 1.927) 2.091 5.399 ( -0.071 0.000 -0.117) 0.137 5.444 ( -1.073 0.000 4.122) 4.260 5.536 ( -2.198 0.000 7.506) 7.821 5.643 ( -2.872 0.000 11.009) 11.378 5.796 ( -0.946 0.000 7.195) 7.257 5.814 ( -0.903 0.000 -6.782) 6.842 5.851 ( 0.110 0.000 -1.434) 1.438 6.021 ( 1.009 0.000 -5.045) 5.145 6.197 ( 1.111 0.000 -4.947) 5.070 6.236 ( 0.049 0.000 1.279) 1.280 6.381 ( 1.196 0.000 -5.157) 5.294 ======================= Grid point 74 (38/66) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -7.914 0.000 0.237) 7.918 0.725 ( -6.084 0.000 3.686) 7.114 0.768 ( -3.189 0.000 -2.830) 4.263 0.827 ( -1.020 0.000 0.048) 1.021 0.850 ( 2.041 0.000 3.086) 3.700 0.899 ( -2.052 0.000 1.608) 2.607 0.904 ( 0.165 0.000 -2.226) 2.233 0.946 ( -2.885 0.000 0.884) 3.018 1.001 ( -1.668 0.000 1.780) 2.439 1.063 ( 2.904 0.000 -2.492) 3.826 1.081 ( 2.993 0.000 -1.492) 3.344 1.120 ( 0.463 0.000 -3.805) 3.833 1.207 ( 2.172 0.000 -3.799) 4.376 1.330 ( 2.998 0.000 -6.829) 7.458 1.341 ( -1.282 0.000 -0.930) 1.584 1.358 ( 1.721 0.000 -0.649) 1.839 1.392 ( -2.213 0.000 0.758) 2.339 1.495 ( -1.425 0.000 4.368) 4.594 1.545 ( -2.146 0.000 3.093) 3.765 1.602 ( 3.190 0.000 -3.606) 4.815 1.602 ( -0.805 0.000 1.712) 1.892 1.754 ( -3.713 0.000 3.566) 5.148 1.756 ( 0.081 0.000 -1.361) 1.363 1.828 ( 0.740 0.000 -4.754) 4.811 1.834 ( -1.437 0.000 6.179) 6.344 1.897 ( 0.013 0.000 3.099) 3.100 1.930 ( 1.823 0.000 -1.182) 2.173 1.982 ( -0.101 0.000 -0.585) 0.594 2.065 ( 1.294 0.000 0.564) 1.412 2.082 ( 0.156 0.000 3.917) 3.920 2.116 ( -1.052 0.000 5.825) 5.920 2.161 ( -0.214 0.000 0.118) 0.244 2.251 ( -1.030 0.000 3.660) 3.802 2.268 ( 1.330 0.000 1.483) 1.992 2.342 ( 0.024 0.000 -0.362) 0.363 2.375 ( 1.058 0.000 -3.558) 3.712 2.391 ( -0.345 0.000 -2.202) 2.229 2.433 ( 1.059 0.000 1.106) 1.531 2.554 ( -4.605 0.000 1.150) 4.747 2.653 ( 0.691 0.000 -2.126) 2.236 2.671 ( 0.743 0.000 0.520) 0.907 2.750 ( 2.790 0.000 -2.763) 3.927 2.785 ( 0.035 0.000 -3.395) 3.395 2.821 ( 1.372 0.000 -3.893) 4.128 3.665 ( -0.308 0.000 1.089) 1.132 3.762 ( 0.515 0.000 -3.914) 3.948 3.847 ( -0.646 0.000 0.053) 0.648 3.876 ( 0.476 0.000 0.915) 1.032 3.930 ( -1.195 0.000 1.769) 2.135 4.009 ( -0.440 0.000 -1.433) 1.499 4.115 ( -0.109 0.000 8.349) 8.350 4.299 ( 0.494 0.000 -2.298) 2.351 4.473 ( 0.291 0.000 -0.656) 0.718 4.520 ( 1.475 0.000 -4.320) 4.565 4.556 ( -0.023 0.000 2.553) 2.554 4.646 ( 0.299 0.000 -0.607) 0.677 4.690 ( 0.289 0.000 -0.176) 0.339 4.732 ( 0.332 0.000 -0.825) 0.889 4.755 ( 0.013 0.000 0.549) 0.549 4.759 ( 1.137 0.000 2.658) 2.891 5.386 ( 0.823 0.000 1.258) 1.504 5.398 ( 0.114 0.000 -0.191) 0.223 5.459 ( 0.055 0.000 6.019) 6.019 5.549 ( -1.011 0.000 7.928) 7.992 5.647 ( -3.307 0.000 11.125) 11.606 5.772 ( 0.965 0.000 -7.988) 8.046 5.821 ( 1.583 0.000 -0.837) 1.791 5.863 ( 0.046 0.000 6.574) 6.575 6.023 ( 2.036 0.000 -5.014) 5.411 6.186 ( 0.774 0.000 -5.481) 5.535 6.243 ( -0.147 0.000 1.492) 1.499 6.370 ( 0.572 0.000 -5.309) 5.340 ======================= Grid point 75 (39/66) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( -3.648 0.000 10.588) 11.199 0.646 ( -6.056 0.000 7.818) 9.889 0.727 ( 1.639 0.000 -3.362) 3.740 0.821 ( 0.258 0.000 1.059) 1.090 0.866 ( -1.557 0.000 4.715) 4.966 0.906 ( 2.228 0.000 0.235) 2.241 0.923 ( -0.206 0.000 3.564) 3.570 0.936 ( 1.449 0.000 1.515) 2.096 0.952 ( -4.994 0.000 4.818) 6.939 1.060 ( -1.651 0.000 -2.251) 2.791 1.111 ( 3.551 0.000 -2.212) 4.184 1.160 ( 2.790 0.000 -0.849) 2.916 1.262 ( 4.626 0.000 -1.852) 4.983 1.309 ( -1.622 0.000 -0.607) 1.731 1.333 ( 2.113 0.000 -9.913) 10.135 1.355 ( -1.835 0.000 1.828) 2.590 1.415 ( 3.687 0.000 -0.398) 3.709 1.491 ( -1.440 0.000 3.937) 4.192 1.526 ( -0.621 0.000 2.167) 2.254 1.597 ( -0.902 0.000 2.304) 2.474 1.625 ( 1.245 0.000 -4.531) 4.699 1.714 ( -2.615 0.000 2.503) 3.620 1.753 ( 0.052 0.000 1.203) 1.204 1.807 ( 0.347 0.000 -6.084) 6.094 1.821 ( -3.309 0.000 6.523) 7.314 1.939 ( 2.684 0.000 1.856) 3.263 1.944 ( 0.372 0.000 -2.763) 2.788 1.983 ( 0.946 0.000 0.021) 0.946 2.079 ( 0.603 0.000 -1.560) 1.673 2.118 ( 2.020 0.000 2.023) 2.859 2.130 ( -1.078 0.000 6.442) 6.532 2.158 ( -0.222 0.000 0.005) 0.222 2.250 ( -0.194 0.000 0.769) 0.793 2.280 ( -0.297 0.000 -0.804) 0.857 2.323 ( -1.931 0.000 -2.680) 3.303 2.358 ( -1.732 0.000 -0.960) 1.980 2.384 ( 0.265 0.000 0.320) 0.415 2.431 ( -1.118 0.000 -1.196) 1.637 2.463 ( -4.986 0.000 0.181) 4.989 2.650 ( 0.500 0.000 -2.565) 2.613 2.692 ( 1.124 0.000 0.974) 1.487 2.758 ( -0.295 0.000 -3.338) 3.351 2.789 ( 2.172 0.000 -2.655) 3.431 2.821 ( 0.593 0.000 -3.382) 3.434 3.664 ( -0.588 0.000 1.866) 1.956 3.759 ( 1.414 0.000 -3.748) 4.006 3.839 ( -0.088 0.000 -0.102) 0.135 3.882 ( -0.243 0.000 0.351) 0.427 3.920 ( -1.436 0.000 3.584) 3.861 4.001 ( 0.337 0.000 -1.182) 1.229 4.165 ( 0.805 0.000 6.173) 6.226 4.301 ( 0.990 0.000 -2.114) 2.334 4.470 ( -0.149 0.000 -0.621) 0.639 4.525 ( 1.522 0.000 -4.253) 4.517 4.569 ( -0.129 0.000 2.282) 2.286 4.660 ( 1.679 0.000 -1.651) 2.354 4.693 ( 0.098 0.000 -0.257) 0.275 4.734 ( 0.086 0.000 -0.133) 0.158 4.755 ( 0.038 0.000 -0.726) 0.727 4.797 ( 1.670 0.000 0.772) 1.840 5.400 ( 0.167 0.000 -0.211) 0.269 5.402 ( 0.415 0.000 -0.100) 0.427 5.517 ( 1.562 0.000 7.646) 7.804 5.581 ( -0.298 0.000 7.462) 7.468 5.642 ( -3.954 0.000 11.760) 12.407 5.767 ( 3.232 0.000 -7.971) 8.601 5.844 ( 2.872 0.000 -5.633) 6.323 5.937 ( 3.093 0.000 10.138) 10.599 6.036 ( 2.273 0.000 -4.820) 5.329 6.168 ( 0.494 0.000 -5.000) 5.025 6.248 ( -0.155 0.000 1.458) 1.466 6.342 ( -0.492 0.000 -5.289) 5.311 ======================= Grid point 76 (40/66) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -0.396 0.000 15.755) 15.760 0.596 ( -4.753 0.000 11.916) 12.829 0.794 ( 7.336 0.000 -4.349) 8.528 0.808 ( -9.623 0.000 15.624) 18.349 0.858 ( 2.684 0.000 1.690) 3.172 0.887 ( -1.619 0.000 2.550) 3.021 0.972 ( 3.600 0.000 2.091) 4.163 0.977 ( 2.211 0.000 2.807) 3.573 1.002 ( 4.243 0.000 1.753) 4.591 1.027 ( -0.936 0.000 -0.317) 0.989 1.169 ( 3.590 0.000 -1.904) 4.063 1.191 ( 0.733 0.000 0.386) 0.829 1.278 ( -1.321 0.000 -0.258) 1.346 1.319 ( 1.219 0.000 -6.312) 6.429 1.334 ( -0.031 0.000 -1.087) 1.087 1.335 ( 3.975 0.000 -1.529) 4.259 1.474 ( 2.484 0.000 -1.816) 3.077 1.487 ( -0.941 0.000 2.797) 2.951 1.538 ( 0.314 0.000 1.063) 1.108 1.591 ( -1.967 0.000 -4.384) 4.805 1.596 ( -0.415 0.000 1.887) 1.932 1.679 ( -2.506 0.000 1.741) 3.051 1.751 ( -0.771 0.000 -2.965) 3.064 1.804 ( -2.100 0.000 5.965) 6.324 1.808 ( 3.079 0.000 -2.178) 3.771 1.920 ( -0.993 0.000 -2.544) 2.731 1.987 ( 0.742 0.000 2.281) 2.399 2.004 ( 0.956 0.000 -0.938) 1.340 2.085 ( 1.789 0.000 -3.023) 3.513 2.139 ( -1.791 0.000 5.514) 5.798 2.155 ( -0.116 0.000 -0.470) 0.484 2.171 ( 2.540 0.000 0.061) 2.541 2.246 ( -0.451 0.000 -2.325) 2.369 2.248 ( -2.402 0.000 -1.868) 3.043 2.275 ( -1.314 0.000 -1.319) 1.862 2.306 ( -2.634 0.000 -0.218) 2.642 2.341 ( -3.418 0.000 1.720) 3.826 2.394 ( -1.750 0.000 -1.387) 2.232 2.433 ( 0.953 0.000 -0.203) 0.974 2.636 ( -0.351 0.000 -3.868) 3.884 2.723 ( 1.796 0.000 0.269) 1.816 2.739 ( 0.136 0.000 -2.469) 2.472 2.803 ( -0.827 0.000 -2.487) 2.621 2.806 ( 1.411 0.000 -3.084) 3.392 3.663 ( -0.821 0.000 2.395) 2.532 3.771 ( 2.007 0.000 -3.576) 4.100 3.843 ( 0.519 0.000 -0.046) 0.521 3.873 ( -0.968 0.000 0.503) 1.091 3.915 ( -1.317 0.000 3.877) 4.094 4.007 ( 0.979 0.000 -1.061) 1.444 4.201 ( -0.194 0.000 4.428) 4.433 4.312 ( 1.235 0.000 -1.779) 2.166 4.465 ( 0.017 0.000 -0.498) 0.499 4.528 ( 1.131 0.000 -3.722) 3.890 4.575 ( -0.398 0.000 1.739) 1.784 4.678 ( 1.366 0.000 -3.046) 3.339 4.692 ( 0.027 0.000 0.234) 0.235 4.732 ( -0.587 0.000 1.064) 1.215 4.750 ( 0.402 0.000 -2.145) 2.182 4.821 ( 0.998 0.000 -1.663) 1.939 5.401 ( 0.030 0.000 -0.067) 0.074 5.405 ( 0.137 0.000 -0.164) 0.214 5.566 ( -0.874 0.000 6.394) 6.453 5.603 ( -1.303 0.000 4.518) 4.702 5.638 ( -3.793 0.000 13.633) 14.151 5.799 ( 4.322 0.000 -6.389) 7.714 5.863 ( 2.448 0.000 -5.991) 6.472 6.025 ( 1.487 0.000 -5.048) 5.262 6.087 ( 4.439 0.000 4.086) 6.033 6.156 ( 0.894 0.000 -3.552) 3.663 6.253 ( -0.181 0.000 1.219) 1.232 6.300 ( -0.566 0.000 -3.308) 3.356 ======================= Grid point 77 (41/66) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -6.910 4.911 11.246) 14.084 0.646 ( -1.017 1.937 11.350) 11.559 0.821 ( -0.143 -2.568 6.226) 6.737 0.869 ( 1.530 -3.600 3.509) 5.255 0.918 ( 1.457 3.207 3.029) 4.646 0.942 ( 1.673 1.756 4.104) 4.767 0.981 ( 4.400 1.153 -3.984) 6.046 1.038 ( 1.455 1.788 1.710) 2.870 1.060 ( 1.346 -0.697 0.493) 1.594 1.116 ( 1.692 -3.137 -0.131) 3.567 1.139 ( 1.040 3.315 3.269) 4.770 1.232 ( 1.873 1.285 -1.365) 2.650 1.251 ( 1.121 -1.413 -0.917) 2.024 1.306 ( 2.108 -2.192 0.381) 3.065 1.360 ( 1.506 -4.056 -1.752) 4.668 1.376 ( 0.951 -0.037 -2.851) 3.006 1.450 ( -1.015 1.341 -2.313) 2.860 1.484 ( -2.143 0.044 1.991) 2.925 1.504 ( -1.765 -0.633 -0.958) 2.106 1.539 ( -1.366 -0.316 0.551) 1.507 1.606 ( 1.745 1.149 -0.779) 2.230 1.651 ( -0.234 1.181 1.813) 2.176 1.704 ( 1.372 -1.761 -3.745) 4.360 1.788 ( 1.806 -4.115 -1.669) 4.794 1.843 ( -1.693 2.267 4.970) 5.719 1.919 ( -1.718 1.137 -0.105) 2.063 1.968 ( -0.489 -0.689 1.900) 2.079 2.031 ( -3.220 -2.094 1.449) 4.105 2.078 ( -0.843 1.425 -3.707) 4.060 2.098 ( -4.700 -0.662 0.889) 4.829 2.122 ( -0.240 0.936 -2.671) 2.840 2.203 ( -1.881 1.477 2.513) 3.469 2.226 ( 0.784 -0.338 -0.806) 1.174 2.229 ( 1.011 1.897 -2.335) 3.174 2.264 ( 1.812 0.652 -3.414) 3.920 2.318 ( 1.764 1.984 -1.019) 2.844 2.355 ( 3.091 -1.408 3.634) 4.974 2.366 ( -2.245 0.632 1.526) 2.787 2.418 ( 0.321 -2.117 0.030) 2.141 2.554 ( -1.568 -4.030 -5.112) 6.696 2.688 ( 1.438 -2.461 -1.240) 3.108 2.703 ( 0.012 -3.052 -1.033) 3.222 2.776 ( 1.222 -0.189 -3.218) 3.448 2.794 ( 0.300 -1.184 -3.976) 4.159 3.682 ( -0.724 1.834 1.915) 2.749 3.794 ( -0.523 -2.475 0.701) 2.624 3.803 ( 1.523 0.450 -2.797) 3.216 3.857 ( 0.871 -0.817 -1.612) 2.006 3.921 ( -1.289 0.518 5.224) 5.406 4.059 ( -1.226 -3.952 3.679) 5.537 4.089 ( -0.169 0.254 1.698) 1.725 4.269 ( 1.112 -3.994 -2.583) 4.884 4.473 ( 0.114 0.910 0.581) 1.086 4.543 ( -0.234 0.167 -1.037) 1.076 4.592 ( 0.028 0.923 -0.244) 0.955 4.641 ( 0.421 -1.044 0.654) 1.302 4.692 ( -0.347 0.268 0.251) 0.505 4.716 ( -0.268 -0.753 0.475) 0.929 4.757 ( 0.382 1.096 -2.821) 3.050 4.842 ( -0.096 -0.404 -4.123) 4.144 5.491 ( -0.887 4.957 2.644) 5.688 5.527 ( 0.022 9.757 0.017) 9.757 5.586 ( -2.863 2.049 4.511) 5.722 5.586 ( -2.136 0.162 4.477) 4.963 5.642 ( -3.966 0.397 11.479) 12.152 5.858 ( 2.497 0.142 -5.112) 5.691 5.862 ( 2.213 0.659 -5.148) 5.642 5.963 ( -1.982 -1.299 -2.224) 3.250 6.041 ( -2.850 -4.590 1.396) 5.581 6.149 ( 0.803 -2.093 -2.435) 3.310 6.222 ( 0.510 -1.852 -0.144) 1.926 6.278 ( 3.829 -3.591 -2.436) 5.787 ======================= Grid point 78 (42/66) ======================= q-point: ( 0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -1.307 5.667 7.995) 9.887 0.695 ( 0.023 1.170 9.371) 9.443 0.816 ( -1.404 -4.037 2.021) 4.728 0.893 ( -1.373 -4.629 1.707) 5.121 0.943 ( -0.582 1.673 2.610) 3.154 0.993 ( 0.935 3.813 2.117) 4.460 1.034 ( 2.368 0.245 -1.204) 2.667 1.052 ( 0.879 2.983 -3.229) 4.483 1.086 ( -0.135 0.545 0.679) 0.881 1.130 ( 0.964 -1.929 -4.855) 5.313 1.156 ( -0.872 1.059 1.150) 1.790 1.241 ( -0.572 2.571 0.959) 2.803 1.276 ( 2.317 -2.618 -2.051) 4.053 1.328 ( -0.660 -0.954 -0.223) 1.181 1.331 ( -1.380 -3.779 -4.923) 6.358 1.413 ( -0.240 -2.498 0.745) 2.617 1.423 ( 0.204 0.717 2.430) 2.541 1.455 ( -0.227 -1.721 -0.568) 1.826 1.474 ( -0.859 0.705 -1.885) 2.188 1.532 ( 0.888 0.469 1.894) 2.144 1.622 ( 0.533 1.874 -0.619) 2.044 1.691 ( 2.669 1.960 3.007) 4.473 1.729 ( 2.683 -1.155 -2.114) 3.606 1.772 ( -0.256 -0.141 -5.901) 5.908 1.856 ( -0.934 1.099 6.440) 6.600 1.900 ( -2.152 -1.118 3.672) 4.400 1.965 ( -0.588 0.681 1.730) 1.950 1.992 ( -1.047 -2.204 0.996) 2.636 2.006 ( -3.146 0.243 -1.521) 3.503 2.046 ( -1.642 1.760 0.745) 2.519 2.097 ( -1.320 -0.970 -1.307) 2.096 2.194 ( 0.129 3.629 0.690) 3.696 2.239 ( 0.988 1.287 -2.423) 2.916 2.250 ( 1.794 -3.060 -0.715) 3.618 2.278 ( 0.815 1.409 -1.726) 2.372 2.329 ( -1.531 0.641 2.470) 2.976 2.356 ( 1.466 0.638 -0.392) 1.646 2.420 ( -0.099 -1.012 0.382) 1.086 2.445 ( 3.475 -3.104 3.384) 5.759 2.514 ( 1.005 -3.526 -5.361) 6.495 2.694 ( -0.654 -1.118 0.420) 1.362 2.712 ( 2.016 -2.307 -2.056) 3.689 2.772 ( -0.275 -1.444 -3.077) 3.410 2.785 ( 1.606 -1.608 -4.771) 5.284 3.679 ( -0.529 1.867 1.426) 2.408 3.789 ( -0.496 -2.739 1.025) 2.967 3.813 ( 1.276 0.729 -3.427) 3.729 3.865 ( 0.910 -0.850 -1.504) 1.953 3.925 ( -1.289 0.543 4.928) 5.123 4.053 ( -2.372 -5.410 5.780) 8.264 4.091 ( 0.088 2.545 -0.679) 2.635 4.272 ( 0.725 -4.038 -2.733) 4.930 4.479 ( 0.035 0.996 0.693) 1.214 4.535 ( -0.002 0.317 -0.562) 0.645 4.585 ( -0.454 1.346 -0.689) 1.579 4.649 ( 0.210 -1.047 0.079) 1.071 4.688 ( -0.286 0.322 0.691) 0.815 4.715 ( -0.490 -0.708 1.602) 1.818 4.746 ( 0.161 0.703 -2.524) 2.625 4.812 ( -0.763 0.019 -3.390) 3.475 5.479 ( -2.673 3.899 3.409) 5.828 5.527 ( -0.237 9.253 -0.194) 9.258 5.547 ( -2.783 4.439 3.853) 6.503 5.567 ( -2.996 -0.744 4.880) 5.774 5.629 ( -3.888 0.136 11.718) 12.347 5.836 ( -1.457 1.732 -1.242) 2.582 5.885 ( 1.550 0.438 -4.310) 4.602 5.908 ( -2.324 1.074 0.168) 2.566 6.005 ( -1.115 -5.632 -1.701) 5.988 6.156 ( 0.977 -3.854 -1.162) 4.143 6.222 ( 0.184 -0.261 -1.708) 1.737 6.324 ( 2.816 -3.599 -4.216) 6.217 ======================= Grid point 79 (43/66) ======================= q-point: ( 0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 5.294 3.044 2.631) 6.649 0.736 ( -0.775 -0.580 5.183) 5.273 0.795 ( -2.116 -4.224 1.611) 4.991 0.875 ( 0.153 -2.663 -0.627) 2.740 0.917 ( -3.370 1.558 0.053) 3.713 0.983 ( -1.609 1.931 -1.077) 2.734 1.018 ( -1.319 -1.269 -7.770) 7.983 1.046 ( 0.130 3.949 -3.241) 5.110 1.076 ( -0.885 4.254 -0.187) 4.349 1.094 ( -0.925 0.810 -3.296) 3.518 1.131 ( -2.145 -1.958 0.945) 3.054 1.211 ( -3.118 0.993 -0.462) 3.305 1.261 ( -2.527 -2.480 -2.664) 4.431 1.297 ( 0.060 -2.734 -4.647) 5.392 1.311 ( 0.600 -2.260 -1.751) 2.921 1.373 ( -2.897 -1.214 -0.967) 3.287 1.431 ( -0.142 0.706 1.221) 1.417 1.485 ( 3.113 -0.004 -2.323) 3.885 1.488 ( 0.507 -1.220 6.369) 6.504 1.564 ( 0.812 1.789 1.322) 2.368 1.629 ( 0.674 1.747 -1.127) 2.186 1.719 ( -1.237 -3.480 -0.334) 3.708 1.759 ( 2.556 1.886 -1.084) 3.357 1.794 ( 3.784 0.938 0.037) 3.898 1.853 ( -3.144 0.504 5.800) 6.616 1.904 ( 0.764 0.520 3.232) 3.361 1.949 ( -1.589 0.475 -0.258) 1.679 1.964 ( -0.238 -0.463 1.248) 1.352 2.000 ( -0.694 0.531 2.809) 2.942 2.067 ( 2.733 0.288 1.848) 3.311 2.071 ( -0.721 0.954 0.398) 1.260 2.202 ( -0.506 1.959 0.551) 2.097 2.228 ( -0.480 0.723 -1.960) 2.143 2.258 ( 0.003 0.080 -1.545) 1.548 2.289 ( -0.069 -2.834 4.028) 4.925 2.335 ( 0.577 -0.003 2.760) 2.820 2.366 ( 0.175 -1.129 -1.667) 2.021 2.424 ( 0.693 1.527 -0.464) 1.740 2.512 ( 2.356 -5.006 1.994) 5.881 2.538 ( 3.170 -2.090 -2.254) 4.416 2.684 ( -0.574 0.268 0.047) 0.635 2.734 ( 0.824 -0.903 -2.786) 3.043 2.749 ( 0.546 -2.741 -2.819) 3.970 2.788 ( 1.615 -2.248 -4.988) 5.704 3.679 ( -0.125 1.780 0.824) 1.965 3.788 ( -0.161 -2.693 0.702) 2.788 3.811 ( 0.661 0.795 -3.652) 3.795 3.872 ( 0.669 -0.930 -1.616) 1.981 3.928 ( -1.065 0.216 4.305) 4.440 4.034 ( -3.582 -5.270 7.654) 9.959 4.088 ( 0.403 3.561 -2.082) 4.144 4.266 ( 0.368 -3.912 -2.953) 4.916 4.481 ( -0.031 1.116 0.401) 1.186 4.538 ( 0.267 0.460 0.516) 0.741 4.570 ( -0.506 1.680 -1.521) 2.322 4.648 ( -0.159 -1.009 -0.504) 1.139 4.688 ( -0.263 0.387 0.887) 1.002 4.713 ( -0.827 -0.604 2.080) 2.319 4.739 ( 0.405 0.366 -1.496) 1.592 4.787 ( -0.137 0.537 -1.918) 1.996 5.429 ( -4.282 2.851 4.857) 7.075 5.517 ( -1.204 6.392 1.360) 6.646 5.536 ( -2.539 0.461 5.408) 5.992 5.539 ( -0.773 6.911 2.567) 7.413 5.630 ( -2.957 -0.150 11.237) 11.621 5.814 ( -1.078 2.907 2.498) 3.981 5.870 ( -0.220 0.401 -5.198) 5.219 5.877 ( -1.177 1.197 -0.542) 1.764 5.978 ( -0.341 -5.387 -3.035) 6.193 6.168 ( 0.575 -5.118 0.084) 5.151 6.216 ( 0.840 1.010 -3.814) 4.034 6.339 ( 1.754 -3.457 -5.091) 6.399 ======================= Grid point 80 (44/66) ======================= q-point: (-0.57 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -4.369 -1.297 -2.780) 5.338 0.715 ( 1.707 -1.800 0.974) 2.665 0.785 ( -1.163 -2.728 3.694) 4.737 0.834 ( -3.170 -1.419 -4.344) 5.562 0.877 ( -1.614 2.715 0.947) 3.297 0.938 ( -1.322 -0.453 -3.666) 3.923 0.947 ( -0.823 -0.818 -7.160) 7.254 1.010 ( -0.899 0.100 -3.169) 3.295 1.061 ( -0.732 5.357 1.928) 5.740 1.083 ( -0.207 2.630 -1.483) 3.026 1.110 ( -0.375 4.600 -0.481) 4.640 1.147 ( -1.727 -1.702 -1.321) 2.761 1.210 ( -0.980 -0.967 -3.289) 3.565 1.264 ( -1.107 -3.723 -2.215) 4.472 1.310 ( 0.268 -2.287 -3.966) 4.586 1.319 ( -0.119 -2.865 -3.243) 4.329 1.444 ( -0.782 1.428 3.717) 4.058 1.515 ( -1.010 0.060 5.241) 5.338 1.533 ( 2.622 -0.907 -1.310) 3.068 1.573 ( -0.605 1.318 1.069) 1.801 1.626 ( -0.216 1.657 -1.252) 2.088 1.705 ( -0.359 -3.460 0.818) 3.574 1.772 ( 0.003 -0.406 -3.694) 3.717 1.824 ( -1.680 1.490 3.324) 4.011 1.869 ( 2.066 1.161 4.181) 4.806 1.914 ( -1.718 0.293 2.862) 3.351 1.949 ( 1.611 2.037 0.230) 2.608 1.987 ( 0.887 0.574 1.966) 2.232 2.005 ( 0.032 -1.248 3.587) 3.798 2.065 ( -0.211 1.753 0.783) 1.931 2.132 ( 2.268 1.220 0.389) 2.604 2.173 ( -1.822 -0.779 0.519) 2.048 2.228 ( 0.174 1.540 3.422) 3.757 2.265 ( 0.595 0.740 1.063) 1.425 2.301 ( -1.670 -3.623 5.372) 6.691 2.339 ( 0.380 -1.897 -2.857) 3.450 2.387 ( 2.269 0.646 0.821) 2.498 2.430 ( 0.323 2.107 -1.562) 2.643 2.543 ( -1.115 -4.841 3.347) 5.990 2.594 ( 4.086 -2.966 -2.486) 5.628 2.672 ( -0.392 0.523 -0.654) 0.924 2.712 ( -0.333 -1.546 -3.027) 3.415 2.763 ( 1.659 -1.601 -3.472) 4.168 2.792 ( 1.702 -2.054 -4.718) 5.420 3.681 ( -0.121 1.585 0.582) 1.693 3.789 ( 0.175 -2.068 -0.266) 2.092 3.800 ( 0.158 0.339 -2.974) 2.998 3.871 ( 0.164 -0.994 -1.744) 2.014 3.932 ( -0.941 -0.205 3.501) 3.631 4.012 ( -3.133 -4.519 8.187) 9.862 4.083 ( 0.149 3.470 -1.541) 3.800 4.256 ( 0.403 -3.762 -3.092) 4.886 4.483 ( -0.019 1.143 0.272) 1.175 4.548 ( -0.264 -0.346 2.550) 2.587 4.554 ( 0.594 2.449 -3.666) 4.448 4.639 ( -0.511 -0.697 -0.490) 0.993 4.686 ( -0.372 0.209 0.680) 0.803 4.710 ( -0.401 -0.756 1.149) 1.432 4.745 ( 0.680 0.563 -0.339) 0.946 4.791 ( 1.304 0.836 -0.804) 1.746 5.400 ( -1.742 2.736 5.902) 6.734 5.499 ( -1.554 3.537 3.306) 5.085 5.533 ( -1.202 1.951 4.898) 5.408 5.541 ( -0.436 8.247 1.673) 8.426 5.637 ( -2.936 -0.348 10.878) 11.273 5.815 ( 0.549 1.477 -2.172) 2.683 5.826 ( -0.554 0.746 -5.813) 5.887 5.867 ( -0.835 2.496 4.098) 4.871 5.963 ( 0.641 -5.176 -3.355) 6.201 6.178 ( 0.237 -5.256 0.811) 5.323 6.211 ( 1.238 1.253 -5.173) 5.465 6.337 ( 1.192 -3.464 -5.378) 6.508 ======================= Grid point 81 (45/66) ======================= q-point: (-0.43 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -6.597 0.139 0.609) 6.627 0.705 ( -1.729 -4.169 -1.608) 4.791 0.764 ( -3.026 -1.695 3.182) 4.707 0.787 ( -1.186 1.777 -1.474) 2.596 0.840 ( -0.249 0.904 -1.205) 1.526 0.886 ( -2.177 -0.686 -2.228) 3.190 0.925 ( 1.435 -1.553 -4.085) 4.600 1.014 ( -0.742 1.801 0.218) 1.960 1.031 ( -0.578 0.125 0.089) 0.598 1.081 ( -0.616 2.983 0.491) 3.085 1.115 ( 1.945 3.833 0.220) 4.304 1.120 ( -1.064 2.504 -1.927) 3.334 1.227 ( 3.875 1.522 -3.750) 5.603 1.250 ( 0.818 -5.892 -0.085) 5.949 1.305 ( 2.099 -2.212 -4.684) 5.589 1.315 ( 0.555 -2.709 -1.805) 3.302 1.430 ( -2.030 2.458 1.814) 3.668 1.518 ( -1.278 0.001 4.247) 4.435 1.551 ( -2.359 0.800 1.966) 3.173 1.557 ( 0.500 -1.982 -0.585) 2.126 1.615 ( -0.365 -0.051 -0.713) 0.803 1.708 ( -0.108 -3.307 1.536) 3.648 1.731 ( -2.337 -0.235 -0.498) 2.401 1.820 ( -0.269 0.175 -1.585) 1.617 1.883 ( -1.898 1.584 5.022) 5.597 1.935 ( 1.563 3.226 1.416) 3.854 1.984 ( 1.792 0.455 1.109) 2.156 1.988 ( -0.524 1.149 0.844) 1.519 2.030 ( 0.150 0.483 0.981) 1.103 2.089 ( 2.041 0.666 2.227) 3.093 2.145 ( -1.056 1.055 1.745) 2.296 2.160 ( 0.405 -0.581 -0.505) 0.869 2.253 ( -0.952 0.312 3.775) 3.906 2.271 ( -0.265 -0.101 1.670) 1.694 2.295 ( -0.631 -3.589 1.818) 4.072 2.355 ( 1.532 -1.048 0.252) 1.873 2.411 ( -0.239 2.745 -3.703) 4.616 2.428 ( 0.754 -0.135 0.300) 0.823 2.509 ( -3.885 -3.768 2.258) 5.864 2.637 ( 1.403 -2.200 -1.567) 3.044 2.666 ( -0.016 -0.261 -0.591) 0.647 2.704 ( 1.483 -3.377 -3.256) 4.920 2.766 ( 1.046 -0.487 -3.856) 4.025 2.800 ( 1.788 -1.610 -4.297) 4.925 3.681 ( -0.300 1.450 0.887) 1.726 3.784 ( 0.706 1.769 -4.112) 4.532 3.796 ( -0.108 -3.311 0.927) 3.440 3.861 ( -0.028 -1.190 -1.716) 2.088 3.928 ( -1.736 -0.168 4.013) 4.376 4.016 ( -1.106 -4.794 7.487) 8.959 4.077 ( -0.119 3.273 -0.724) 3.355 4.250 ( 0.806 -3.652 -3.006) 4.798 4.481 ( -0.363 0.889 0.181) 0.978 4.550 ( 0.942 0.972 -1.688) 2.164 4.560 ( 0.212 0.493 0.530) 0.754 4.628 ( -0.381 -0.402 -0.176) 0.581 4.686 ( 0.112 0.111 0.490) 0.515 4.711 ( 0.043 -0.952 0.428) 1.045 4.756 ( 0.710 0.901 -0.742) 1.366 4.819 ( 2.090 0.818 -1.091) 2.496 5.431 ( 1.322 3.144 6.365) 7.221 5.499 ( -0.214 5.411 1.987) 5.768 5.541 ( -0.649 7.559 2.262) 7.917 5.546 ( -0.525 0.736 6.016) 6.084 5.639 ( -3.389 -0.573 11.015) 11.538 5.788 ( 1.209 1.333 -7.716) 7.923 5.821 ( 2.081 -0.332 -5.481) 5.873 5.892 ( -0.262 3.464 8.460) 9.145 5.965 ( 1.490 -5.174 -3.347) 6.340 6.186 ( 0.349 -4.171 0.085) 4.186 6.201 ( 0.591 0.397 -4.661) 4.715 6.323 ( 0.449 -3.621 -5.582) 6.669 ======================= Grid point 82 (46/66) ======================= q-point: (-0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -2.005 2.258 9.552) 10.018 0.687 ( -2.451 -1.240 5.408) 6.065 0.720 ( -0.442 0.265 0.785) 0.939 0.781 ( 0.802 0.444 0.051) 0.918 0.849 ( 1.343 -0.246 -0.327) 1.403 0.864 ( 0.563 -0.257 -0.539) 0.821 0.949 ( 2.580 -2.711 -0.946) 3.860 0.969 ( -2.252 2.762 0.176) 3.568 1.049 ( 0.005 -0.441 1.282) 1.355 1.073 ( -0.359 -1.371 -0.552) 1.521 1.084 ( -2.119 5.361 3.922) 6.972 1.167 ( 2.634 3.576 -0.031) 4.442 1.240 ( 0.057 -4.855 -0.946) 4.946 1.297 ( 1.621 -0.037 -1.931) 2.521 1.314 ( 0.957 -0.350 -0.644) 1.206 1.329 ( 2.952 -1.643 -4.571) 5.684 1.421 ( 1.588 2.324 -0.887) 2.951 1.513 ( -1.415 -0.643 3.130) 3.494 1.529 ( -0.998 0.430 3.049) 3.237 1.559 ( 0.012 -1.446 0.053) 1.447 1.603 ( -0.594 -1.905 -0.719) 2.121 1.691 ( -1.912 -0.618 0.212) 2.021 1.715 ( -0.389 -3.053 2.126) 3.740 1.787 ( -1.335 -1.443 -3.722) 4.210 1.873 ( -2.187 2.848 4.803) 5.997 1.954 ( 0.155 0.203 -0.623) 0.673 2.006 ( 0.728 2.242 0.757) 2.476 2.009 ( 1.731 3.921 -2.162) 4.801 2.048 ( 1.394 -1.558 3.134) 3.767 2.116 ( 0.097 1.262 -0.751) 1.472 2.160 ( 1.124 0.433 1.046) 1.595 2.165 ( 0.662 0.551 1.740) 1.942 2.241 ( -1.149 -0.578 1.660) 2.101 2.279 ( -0.493 -1.226 0.092) 1.324 2.281 ( -0.868 -1.643 -0.871) 2.053 2.363 ( -2.477 -0.471 -0.774) 2.638 2.383 ( -0.125 0.329 1.034) 1.092 2.413 ( -2.654 -0.762 -1.173) 3.000 2.449 ( -2.230 -0.350 -0.098) 2.260 2.637 ( -0.165 -1.827 -1.814) 2.580 2.664 ( 0.256 -1.641 -0.619) 1.773 2.711 ( 0.797 -4.145 -3.100) 5.237 2.767 ( 1.295 0.073 -3.370) 3.611 2.808 ( 1.433 -1.356 -3.977) 4.440 3.682 ( -0.348 1.511 1.476) 2.140 3.780 ( 1.237 1.696 -3.746) 4.294 3.799 ( -0.114 -3.146 0.836) 3.257 3.854 ( 0.211 -1.308 -1.492) 1.996 3.919 ( -1.714 0.068 4.761) 5.061 4.044 ( -0.609 -6.378 7.441) 9.819 4.071 ( 0.075 3.666 -1.018) 3.805 4.253 ( 1.162 -3.645 -2.760) 4.717 4.474 ( -0.378 0.697 0.030) 0.794 4.560 ( 0.549 1.707 -2.183) 2.825 4.567 ( 0.655 -1.013 1.184) 1.690 4.625 ( 0.009 -0.441 0.258) 0.511 4.692 ( 0.235 0.194 0.250) 0.394 4.715 ( 0.203 -0.909 0.083) 0.935 4.762 ( 0.708 1.178 -1.844) 2.300 4.847 ( 1.839 0.243 -2.456) 3.078 5.484 ( 0.289 4.838 2.833) 5.614 5.518 ( 1.309 8.607 0.730) 8.736 5.549 ( 0.181 3.927 5.314) 6.610 5.580 ( 0.082 -0.277 6.412) 6.419 5.634 ( -3.749 -0.523 11.860) 12.449 5.787 ( 3.102 1.609 -7.451) 8.230 5.836 ( 2.904 -0.898 -6.263) 6.962 5.952 ( 1.933 1.658 7.044) 7.490 5.980 ( 1.898 -4.490 -1.872) 5.222 6.177 ( 0.271 0.856 -5.333) 5.408 6.198 ( 0.225 -4.457 0.994) 4.572 6.290 ( -0.677 -3.883 -5.430) 6.710 ======================= Grid point 83 (47/66) ======================= q-point: (-0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.885 2.784 14.186) 14.484 0.650 ( -5.106 3.035 9.727) 11.397 0.770 ( 1.136 -3.296 5.802) 6.769 0.812 ( 3.066 0.794 -0.126) 3.170 0.879 ( 1.691 1.807 0.832) 2.611 0.894 ( 2.069 0.110 2.120) 2.965 0.941 ( 0.164 1.746 -1.419) 2.256 1.000 ( 1.784 -2.914 2.526) 4.249 1.043 ( -0.062 1.300 0.166) 1.312 1.076 ( -0.378 3.149 7.360) 8.015 1.102 ( 1.836 -0.457 -0.049) 1.892 1.205 ( 1.678 1.436 -0.932) 2.397 1.237 ( 0.544 -2.795 -0.422) 2.878 1.286 ( 0.047 -2.221 -1.209) 2.529 1.338 ( 1.951 -1.131 -2.807) 3.601 1.364 ( 2.651 0.880 -3.406) 4.405 1.458 ( 2.088 1.671 -2.390) 3.586 1.504 ( -1.709 -0.537 3.340) 3.791 1.535 ( -0.690 -0.617 2.157) 2.347 1.552 ( -0.547 -0.701 -1.351) 1.617 1.590 ( -0.124 -0.643 0.071) 0.658 1.663 ( -1.334 -0.399 0.554) 1.498 1.714 ( -0.859 -3.558 0.503) 3.695 1.758 ( 1.252 -2.966 -3.050) 4.435 1.858 ( -2.060 2.971 3.802) 5.247 1.949 ( -0.106 1.270 -1.299) 1.820 1.979 ( -2.506 -0.259 1.891) 3.150 2.047 ( 1.484 -0.685 -1.593) 2.282 2.090 ( 1.389 3.407 -1.524) 3.982 2.121 ( 0.605 0.266 0.785) 1.026 2.156 ( -0.614 0.071 -1.067) 1.233 2.206 ( 0.962 0.882 1.534) 2.014 2.227 ( -1.111 -0.311 0.643) 1.321 2.254 ( -0.245 0.525 -3.745) 3.790 2.259 ( -1.144 -1.041 -0.693) 1.695 2.314 ( -1.194 0.070 0.307) 1.235 2.333 ( -3.816 0.147 2.222) 4.418 2.399 ( -0.624 -1.949 0.528) 2.113 2.416 ( -0.612 1.180 -1.497) 2.002 2.608 ( -1.504 -3.246 -3.244) 4.829 2.671 ( 1.035 -2.281 -1.145) 2.754 2.707 ( 0.482 -3.542 -2.205) 4.199 2.772 ( 1.055 -0.028 -2.936) 3.120 2.807 ( 0.762 -1.099 -3.900) 4.123 3.683 ( -0.534 1.693 1.940) 2.630 3.788 ( 1.734 1.410 -3.541) 4.187 3.800 ( -0.388 -3.167 1.149) 3.391 3.852 ( 0.529 -1.052 -1.544) 1.942 3.917 ( -1.411 0.323 5.161) 5.360 4.060 ( -1.358 -4.952 4.784) 7.018 4.077 ( 0.571 1.294 1.152) 1.824 4.261 ( 1.264 -3.799 -2.586) 4.766 4.470 ( -0.069 0.784 0.243) 0.824 4.553 ( -0.197 0.339 -1.133) 1.199 4.585 ( 0.754 0.241 0.032) 0.792 4.630 ( 0.273 -0.769 0.639) 1.037 4.695 ( -0.054 0.255 0.069) 0.269 4.718 ( -0.008 -0.809 0.044) 0.810 4.762 ( 0.638 1.268 -2.648) 3.005 4.856 ( 0.951 -0.322 -3.739) 3.871 5.491 ( -0.566 5.264 2.156) 5.716 5.527 ( 0.058 9.935 -0.075) 9.935 5.590 ( -0.387 1.842 5.175) 5.507 5.597 ( -1.574 -0.223 4.963) 5.211 5.640 ( -3.009 0.274 12.531) 12.890 5.817 ( 4.001 1.433 -6.104) 7.437 5.855 ( 2.649 -0.811 -5.985) 6.595 5.983 ( 1.225 -4.206 -3.614) 5.679 6.049 ( 1.980 -1.465 4.761) 5.360 6.154 ( 0.258 -0.403 -3.858) 3.888 6.209 ( 0.483 -3.206 0.408) 3.268 6.251 ( -0.050 -3.788 -3.433) 5.113 ======================= Grid point 84 (48/66) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -2.136 -2.570 8.759) 9.375 0.678 ( -2.136 2.570 8.759) 9.375 0.758 ( -1.918 -1.787 5.322) 5.933 0.758 ( -1.918 1.787 5.322) 5.933 0.962 ( 3.166 -1.919 0.776) 3.782 0.962 ( 3.166 1.919 0.776) 3.782 1.026 ( 3.523 -3.619 -1.940) 5.410 1.026 ( 3.523 3.619 -1.940) 5.410 1.109 ( 3.262 -0.318 0.307) 3.292 1.109 ( 3.262 0.318 0.307) 3.292 1.188 ( 1.255 -1.172 -0.284) 1.740 1.188 ( 1.255 1.172 -0.284) 1.740 1.277 ( 0.241 -2.246 -0.267) 2.274 1.277 ( 0.241 2.246 -0.267) 2.274 1.315 ( -0.634 -4.623 0.896) 4.752 1.315 ( -0.634 4.623 0.896) 4.752 1.481 ( -2.293 -0.796 1.008) 2.628 1.481 ( -2.293 0.796 1.008) 2.628 1.522 ( -0.943 -1.267 -0.619) 1.696 1.522 ( -0.943 1.267 -0.619) 1.696 1.646 ( 1.378 -2.230 0.279) 2.636 1.646 ( 1.378 2.230 0.279) 2.636 1.701 ( 2.434 -2.507 0.133) 3.497 1.701 ( 2.434 2.507 0.133) 3.497 1.901 ( -2.108 -2.620 2.442) 4.156 1.901 ( -2.108 2.620 2.442) 4.156 1.984 ( -0.551 -2.107 -1.207) 2.490 1.984 ( -0.551 2.107 -1.207) 2.490 2.089 ( -3.488 -0.209 -0.983) 3.630 2.089 ( -3.488 0.209 -0.983) 3.630 2.173 ( -0.807 -2.494 -3.789) 4.607 2.173 ( -0.807 2.494 -3.789) 4.607 2.262 ( 2.646 -0.589 -0.251) 2.722 2.262 ( 2.646 0.589 -0.251) 2.722 2.289 ( -0.976 -2.428 3.005) 3.985 2.289 ( -0.976 2.428 3.005) 3.985 2.370 ( 1.496 -1.513 2.216) 3.072 2.370 ( 1.496 1.513 2.216) 3.072 2.434 ( -1.734 -5.196 -4.344) 6.991 2.434 ( -1.734 5.196 -4.344) 6.991 2.662 ( 1.252 -0.319 -1.846) 2.253 2.662 ( 1.252 0.319 -1.846) 2.253 2.775 ( 0.548 -0.322 -4.107) 4.156 2.775 ( 0.548 0.322 -4.107) 4.156 3.732 ( -0.583 -2.550 1.495) 3.013 3.732 ( -0.583 2.550 1.495) 3.013 3.831 ( 1.376 -1.372 -3.181) 3.728 3.831 ( 1.376 1.372 -3.181) 3.728 3.950 ( -1.931 -2.735 7.538) 8.248 3.950 ( -1.931 2.735 7.538) 8.248 4.175 ( 1.074 -4.264 -2.743) 5.183 4.175 ( 1.074 4.264 -2.743) 5.183 4.509 ( -0.406 -2.138 1.927) 2.907 4.509 ( -0.406 2.138 1.927) 2.907 4.623 ( 0.516 -1.278 -1.210) 1.834 4.623 ( 0.516 1.278 -1.210) 1.834 4.701 ( -0.256 -0.530 0.375) 0.698 4.701 ( -0.256 0.530 0.375) 0.698 4.799 ( 0.165 -2.527 -3.730) 4.509 4.799 ( 0.165 2.527 -3.730) 4.509 5.557 ( -2.439 -1.798 5.889) 6.623 5.557 ( -2.439 1.798 5.889) 6.623 5.639 ( -3.061 -0.972 7.177) 7.863 5.639 ( -3.061 0.972 7.177) 7.863 5.775 ( 0.551 -9.460 -1.617) 9.613 5.775 ( 0.551 9.460 -1.617) 9.613 5.893 ( 2.237 -2.111 -4.066) 5.099 5.893 ( 2.237 2.111 -4.066) 5.099 6.054 ( -2.250 -4.918 -0.965) 5.494 6.054 ( -2.250 4.918 -0.965) 5.494 6.216 ( 2.897 -1.383 -2.152) 3.864 6.216 ( 2.897 1.383 -2.152) 3.864 ======================= Grid point 86 (49/66) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -1.580 -6.560 5.944) 8.992 0.676 ( -1.580 6.560 5.944) 8.992 0.763 ( -0.494 -4.233 3.784) 5.700 0.763 ( -0.494 4.233 3.784) 5.700 1.007 ( 1.284 -2.018 -0.333) 2.415 1.007 ( 1.284 2.018 -0.333) 2.415 1.049 ( 0.037 -2.818 -2.986) 4.106 1.049 ( 0.037 2.818 -2.986) 4.106 1.151 ( 1.430 -2.039 -2.248) 3.355 1.151 ( 1.430 2.039 -2.248) 3.355 1.193 ( 0.176 -1.774 -2.546) 3.108 1.193 ( 0.176 1.774 -2.546) 3.108 1.281 ( -0.593 -2.350 -2.014) 3.152 1.281 ( -0.593 2.350 -2.014) 3.152 1.324 ( 0.463 -4.513 4.066) 6.092 1.324 ( 0.463 4.513 4.066) 6.092 1.440 ( -2.151 -0.539 1.874) 2.904 1.440 ( -2.151 0.539 1.874) 2.904 1.510 ( 0.813 -2.759 -1.147) 3.096 1.510 ( 0.813 2.759 -1.147) 3.096 1.665 ( 0.520 -1.928 -0.142) 2.002 1.665 ( 0.520 1.928 -0.142) 2.002 1.758 ( 2.740 -1.995 0.880) 3.501 1.758 ( 2.740 1.995 0.880) 3.501 1.877 ( -1.900 -1.113 3.708) 4.313 1.877 ( -1.900 1.113 3.708) 4.313 1.975 ( -0.580 -1.010 0.510) 1.271 1.975 ( -0.580 1.010 0.510) 1.271 2.033 ( -0.452 -3.435 -2.567) 4.312 2.033 ( -0.452 3.435 -2.567) 4.312 2.138 ( -1.606 -4.289 -0.435) 4.601 2.138 ( -1.606 4.289 -0.435) 4.601 2.280 ( -0.783 -2.431 0.898) 2.707 2.280 ( -0.783 2.431 0.898) 2.707 2.315 ( 2.024 -2.693 2.124) 3.983 2.315 ( 2.024 2.693 2.124) 3.983 2.365 ( -1.689 -1.415 -2.195) 3.110 2.365 ( -1.689 1.415 -2.195) 3.110 2.436 ( 2.800 -2.707 -0.322) 3.908 2.436 ( 2.800 2.707 -0.322) 3.908 2.682 ( 1.793 -0.283 -1.611) 2.427 2.682 ( 1.793 0.283 -1.611) 2.427 2.757 ( 0.143 -0.495 -4.441) 4.471 2.757 ( 0.143 0.495 -4.441) 4.471 3.729 ( -0.476 -2.487 1.173) 2.790 3.729 ( -0.476 2.487 1.173) 2.790 3.838 ( 1.209 -1.331 -3.129) 3.609 3.838 ( 1.209 1.331 -3.129) 3.609 3.953 ( -2.145 -2.514 7.138) 7.866 3.953 ( -2.145 2.514 7.138) 7.866 4.178 ( 0.897 -4.212 -2.989) 5.242 4.178 ( 0.897 4.212 -2.989) 5.242 4.513 ( -0.401 -1.779 2.023) 2.724 4.513 ( -0.401 1.779 2.023) 2.724 4.623 ( 0.314 -1.654 -1.590) 2.316 4.623 ( 0.314 1.654 -1.590) 2.316 4.700 ( -0.294 -0.599 1.209) 1.381 4.700 ( -0.294 0.599 1.209) 1.381 4.778 ( -0.144 -2.068 -3.500) 4.068 4.778 ( -0.144 2.068 -3.500) 4.068 5.535 ( -3.547 -1.887 5.410) 6.739 5.535 ( -3.547 1.887 5.410) 6.739 5.616 ( -3.498 -1.196 8.351) 9.133 5.616 ( -3.498 1.196 8.351) 9.133 5.774 ( 0.211 -9.683 -1.273) 9.769 5.774 ( 0.211 9.683 -1.273) 9.769 5.900 ( 0.913 -1.016 -4.503) 4.705 5.900 ( 0.913 1.016 -4.503) 4.705 6.015 ( -1.513 -7.316 0.221) 7.474 6.015 ( -1.513 7.316 0.221) 7.474 6.249 ( 2.202 -2.491 -3.458) 4.797 6.249 ( 2.202 2.491 -3.458) 4.797 ======================= Grid point 88 (50/66) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -0.189 -4.291 2.305) 4.874 0.688 ( -0.188 4.291 2.305) 4.874 0.778 ( 0.528 -3.561 1.548) 3.919 0.778 ( 0.528 3.561 1.548) 3.919 0.984 ( -2.648 -1.495 -5.338) 6.144 0.984 ( -2.648 1.495 -5.339) 6.144 1.020 ( -0.507 -3.914 -2.472) 4.656 1.020 ( -0.507 3.914 -2.472) 4.656 1.126 ( -1.303 -1.302 -2.852) 3.395 1.126 ( -1.303 1.303 -2.852) 3.395 1.192 ( 0.489 -4.974 -2.307) 5.505 1.192 ( 0.489 4.974 -2.307) 5.505 1.242 ( -1.089 -2.608 -2.775) 3.961 1.242 ( -1.089 2.608 -2.775) 3.961 1.312 ( -3.125 -3.196 -0.341) 4.482 1.312 ( -3.125 3.196 -0.341) 4.482 1.453 ( 0.693 -1.468 6.108) 6.320 1.453 ( 0.693 1.468 6.108) 6.320 1.537 ( 1.854 -3.875 -0.464) 4.320 1.537 ( 1.854 3.875 -0.464) 4.320 1.662 ( -0.258 -1.205 -0.943) 1.552 1.662 ( -0.258 1.205 -0.943) 1.552 1.807 ( 2.239 -1.138 0.136) 2.515 1.807 ( 2.239 1.138 0.136) 2.515 1.872 ( -1.755 -1.363 4.988) 5.461 1.872 ( -1.755 1.364 4.988) 5.460 1.955 ( -0.120 -0.367 -0.393) 0.550 1.955 ( -0.120 0.367 -0.393) 0.550 2.057 ( 1.062 -2.593 1.177) 3.039 2.057 ( 1.062 2.593 1.177) 3.039 2.118 ( 0.355 -4.189 0.525) 4.237 2.118 ( 0.355 4.190 0.525) 4.237 2.267 ( -1.414 -1.058 2.640) 3.176 2.267 ( -1.414 1.058 2.640) 3.176 2.318 ( -1.469 -2.740 -1.361) 3.393 2.318 ( -1.469 2.740 -1.361) 3.394 2.377 ( 2.575 -4.662 1.509) 5.536 2.377 ( 2.575 4.662 1.509) 5.536 2.480 ( 1.992 -2.875 -0.228) 3.505 2.480 ( 1.992 2.875 -0.228) 3.505 2.700 ( 0.586 -1.341 -1.761) 2.290 2.700 ( 0.586 1.341 -1.761) 2.290 2.741 ( 1.310 -1.526 -4.687) 5.100 2.741 ( 1.310 1.526 -4.687) 5.100 3.728 ( -0.243 -2.470 0.787) 2.604 3.728 ( -0.243 2.470 0.787) 2.604 3.840 ( 0.985 -1.537 -3.548) 3.990 3.840 ( 0.985 1.537 -3.548) 3.990 3.949 ( -2.486 -2.074 7.086) 7.791 3.949 ( -2.486 2.074 7.086) 7.791 4.175 ( 0.629 -4.075 -3.166) 5.199 4.175 ( 0.629 4.075 -3.166) 5.199 4.516 ( -0.462 -1.735 2.092) 2.757 4.516 ( -0.462 1.735 2.092) 2.757 4.618 ( 0.275 -1.997 -2.072) 2.891 4.618 ( 0.275 1.997 -2.072) 2.891 4.701 ( -0.545 -0.550 1.564) 1.746 4.701 ( -0.545 0.550 1.564) 1.746 4.762 ( 0.481 -1.704 -2.616) 3.159 4.762 ( 0.481 1.704 -2.616) 3.159 5.491 ( -4.095 -2.555 6.085) 7.767 5.491 ( -4.095 2.555 6.085) 7.767 5.609 ( -2.538 -1.505 8.726) 9.211 5.609 ( -2.538 1.505 8.726) 9.211 5.771 ( 0.240 -9.498 -1.047) 9.558 5.771 ( 0.240 9.498 -1.047) 9.558 5.878 ( -0.161 -0.611 -5.546) 5.582 5.878 ( -0.162 0.611 -5.546) 5.582 6.002 ( -0.455 -8.672 1.572) 8.825 6.002 ( -0.455 8.672 1.572) 8.825 6.261 ( 1.612 -2.980 -4.804) 5.878 6.261 ( 1.612 2.980 -4.804) 5.878 ======================= Grid point 90 (51/66) ======================= q-point: (-0.57 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -2.885 -1.607 -0.793) 3.397 0.668 ( -2.885 1.608 -0.793) 3.397 0.785 ( -0.849 -2.048 0.141) 2.221 0.785 ( -0.849 2.048 0.141) 2.221 0.911 ( -0.321 -1.604 -6.637) 6.835 0.911 ( -0.321 1.604 -6.637) 6.835 0.979 ( -1.777 -2.637 -4.509) 5.518 0.979 ( -1.777 2.637 -4.509) 5.518 1.115 ( 0.378 -1.030 0.649) 1.274 1.115 ( 0.378 1.030 0.649) 1.274 1.169 ( -1.480 -1.101 -0.341) 1.876 1.169 ( -1.480 1.101 -0.341) 1.876 1.221 ( 0.120 -2.863 -2.716) 3.948 1.221 ( 0.120 2.863 -2.716) 3.948 1.259 ( -0.422 -1.400 -3.827) 4.097 1.259 ( -0.422 1.400 -3.827) 4.097 1.489 ( -0.728 -1.941 5.671) 6.038 1.489 ( -0.728 1.941 5.671) 6.038 1.555 ( -0.032 -2.863 0.203) 2.870 1.555 ( -0.032 2.863 0.203) 2.870 1.652 ( -0.496 -0.775 -0.297) 0.967 1.652 ( -0.496 0.775 -0.297) 0.967 1.817 ( -0.663 -3.132 -3.033) 4.410 1.817 ( -0.663 3.132 -3.033) 4.410 1.884 ( 0.272 -0.388 6.878) 6.894 1.884 ( 0.272 0.388 6.878) 6.894 1.985 ( 1.908 -1.212 1.906) 2.957 1.985 ( 1.908 1.212 1.906) 2.957 2.049 ( -0.989 -3.061 0.955) 3.356 2.049 ( -0.989 3.061 0.955) 3.356 2.151 ( 1.169 -0.356 -0.247) 1.246 2.151 ( 1.169 0.356 -0.247) 1.246 2.270 ( -0.633 -1.428 5.212) 5.441 2.270 ( -0.633 1.428 5.212) 5.441 2.286 ( -0.770 -1.705 -1.143) 2.192 2.286 ( -0.770 1.705 -1.143) 2.192 2.426 ( 1.015 -3.757 2.900) 4.853 2.426 ( 1.015 3.757 2.900) 4.853 2.507 ( 1.733 -4.247 -2.195) 5.085 2.507 ( 1.733 4.247 -2.195) 5.085 2.684 ( -0.389 -0.737 -2.558) 2.690 2.684 ( -0.389 0.737 -2.558) 2.690 2.755 ( 2.245 -0.903 -4.096) 4.758 2.755 ( 2.245 0.903 -4.096) 4.758 3.728 ( -0.252 -2.492 0.677) 2.595 3.728 ( -0.252 2.492 0.677) 2.595 3.836 ( 0.825 -1.804 -4.120) 4.572 3.836 ( 0.825 1.804 -4.120) 4.572 3.941 ( -2.570 -1.475 7.342) 7.918 3.941 ( -2.570 1.475 7.342) 7.918 4.168 ( 0.550 -3.933 -3.110) 5.045 4.168 ( 0.550 3.933 -3.110) 5.045 4.517 ( -0.662 -1.794 2.083) 2.827 4.517 ( -0.662 1.794 2.083) 2.827 4.612 ( 0.440 -2.068 -2.400) 3.199 4.612 ( 0.440 2.068 -2.400) 3.199 4.696 ( -0.617 -0.566 0.972) 1.283 4.696 ( -0.617 0.566 0.972) 1.283 4.771 ( 1.474 -1.669 -1.479) 2.674 4.771 ( 1.474 1.669 -1.479) 2.674 5.467 ( -2.070 -2.867 7.056) 7.893 5.467 ( -2.070 2.867 7.056) 7.893 5.611 ( -2.362 -1.803 8.284) 8.801 5.611 ( -2.362 1.803 8.284) 8.801 5.770 ( 0.169 -9.074 -1.163) 9.150 5.770 ( 0.169 9.074 -1.163) 9.150 5.843 ( 0.185 -1.380 -6.212) 6.366 5.843 ( 0.185 1.380 -6.212) 6.366 6.012 ( 0.180 -8.708 2.465) 9.052 6.012 ( 0.180 8.708 2.465) 9.052 6.258 ( 1.240 -3.019 -5.584) 6.468 6.258 ( 1.240 3.019 -5.584) 6.468 ======================= Grid point 92 (52/66) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -3.619 -4.661 -0.015) 5.901 0.593 ( -3.619 4.661 -0.015) 5.901 0.770 ( -0.289 -1.907 0.050) 1.930 0.770 ( -0.289 1.907 0.050) 1.930 0.884 ( -0.009 -0.983 -4.391) 4.500 0.884 ( -0.009 0.983 -4.391) 4.500 0.929 ( -0.588 -4.901 -3.965) 6.331 0.929 ( -0.588 4.901 -3.965) 6.331 1.097 ( -2.556 -2.858 1.016) 3.967 1.097 ( -2.556 2.858 1.016) 3.967 1.164 ( 0.341 -1.858 0.306) 1.913 1.164 ( 0.341 1.858 0.306) 1.913 1.235 ( 2.052 -3.890 -2.796) 5.211 1.235 ( 2.052 3.890 -2.796) 5.211 1.262 ( 3.642 -1.638 -2.808) 4.882 1.262 ( 3.642 1.638 -2.808) 4.882 1.488 ( -2.024 -2.211 4.017) 5.012 1.488 ( -2.024 2.211 4.017) 5.012 1.543 ( -1.200 -1.445 0.666) 1.993 1.543 ( -1.200 1.445 0.666) 1.993 1.637 ( -1.412 -2.485 1.471) 3.215 1.637 ( -1.412 2.485 1.471) 3.215 1.779 ( -1.814 -3.519 -1.655) 4.291 1.779 ( -1.814 3.519 -1.655) 4.291 1.922 ( -0.266 -2.400 4.313) 4.943 1.922 ( -0.266 2.400 4.313) 4.943 2.017 ( 1.254 -2.591 1.200) 3.119 2.017 ( 1.254 2.591 1.200) 3.119 2.067 ( 1.669 -2.068 1.372) 2.991 2.067 ( 1.669 2.068 1.372) 2.991 2.150 ( 0.021 -0.481 -1.265) 1.354 2.150 ( 0.021 0.481 -1.265) 1.354 2.258 ( -1.588 -0.766 2.469) 3.034 2.258 ( -1.588 0.766 2.469) 3.034 2.304 ( 0.383 -3.325 1.881) 3.839 2.304 ( 0.383 3.325 1.881) 3.839 2.436 ( -1.437 -1.800 2.050) 3.083 2.436 ( -1.437 1.800 2.050) 3.083 2.522 ( 1.282 -6.268 -2.664) 6.931 2.522 ( 1.282 6.268 -2.664) 6.931 2.668 ( 0.206 -0.499 -2.464) 2.523 2.668 ( 0.206 0.499 -2.464) 2.523 2.770 ( 1.829 -0.868 -4.068) 4.544 2.770 ( 1.829 0.868 -4.068) 4.544 3.727 ( -0.227 -2.637 0.849) 2.780 3.727 ( -0.227 2.637 0.849) 2.780 3.827 ( 0.754 -1.838 -4.068) 4.527 3.827 ( 0.754 1.838 -4.068) 4.527 3.937 ( -2.290 -1.612 7.495) 8.001 3.937 ( -2.290 1.612 7.495) 8.001 4.163 ( 0.745 -3.943 -2.847) 4.920 4.163 ( 0.745 3.943 -2.847) 4.920 4.514 ( -0.866 -1.974 1.928) 2.892 4.514 ( -0.866 1.974 1.928) 2.892 4.609 ( 0.654 -1.778 -2.155) 2.869 4.609 ( 0.654 1.778 -2.155) 2.869 4.694 ( 0.001 -0.537 0.540) 0.762 4.694 ( 0.001 0.537 0.540) 0.762 4.792 ( 1.639 -2.150 -1.715) 3.202 4.792 ( 1.639 2.150 -1.715) 3.202 5.494 ( 0.509 -2.370 7.424) 7.810 5.494 ( 0.509 2.370 7.424) 7.810 5.610 ( -2.492 -2.089 7.989) 8.626 5.610 ( -2.492 2.089 7.989) 8.626 5.764 ( 0.305 -8.244 -2.204) 8.539 5.764 ( 0.305 8.244 -2.204) 8.539 5.827 ( 1.641 -3.187 -5.450) 6.523 5.827 ( 1.641 3.187 -5.450) 6.523 6.033 ( 0.557 -8.048 2.805) 8.541 6.033 ( 0.557 8.048 2.805) 8.541 6.244 ( 0.519 -2.895 -5.938) 6.627 6.244 ( 0.519 2.895 -5.938) 6.627 ======================= Grid point 94 (53/66) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.038 -5.812 5.922) 8.297 0.573 ( 0.038 5.812 5.922) 8.297 0.773 ( -0.049 -3.272 1.296) 3.520 0.773 ( -0.049 3.272 1.296) 3.520 0.876 ( 0.963 -1.742 -0.572) 2.071 0.876 ( 0.963 1.742 -0.572) 2.071 0.917 ( 1.929 -5.570 -4.714) 7.548 0.917 ( 1.929 5.570 -4.714) 7.548 1.061 ( -1.724 -1.896 1.619) 3.031 1.061 ( -1.724 1.896 1.619) 3.031 1.164 ( -0.322 -1.220 0.202) 1.278 1.164 ( -0.322 1.220 0.202) 1.278 1.261 ( 2.328 -3.984 -2.373) 5.188 1.261 ( 2.328 3.984 -2.373) 5.188 1.321 ( 1.840 -1.784 0.272) 2.577 1.321 ( 1.840 1.784 0.272) 2.577 1.476 ( -0.385 -2.542 1.878) 3.184 1.476 ( -0.385 2.542 1.878) 3.184 1.529 ( -0.611 -1.041 1.242) 1.732 1.529 ( -0.611 1.041 1.242) 1.732 1.619 ( -1.396 -3.688 2.041) 4.440 1.619 ( -1.396 3.688 2.041) 4.440 1.734 ( -2.042 -2.963 -1.374) 3.852 1.734 ( -2.042 2.963 -1.374) 3.852 1.923 ( -0.791 -1.911 1.369) 2.480 1.923 ( -0.791 1.911 1.369) 2.480 2.036 ( -1.080 -0.531 1.742) 2.117 2.036 ( -1.080 0.531 1.742) 2.117 2.107 ( 2.962 -4.010 -1.007) 5.086 2.107 ( 2.962 4.010 -1.007) 5.086 2.163 ( 1.681 -1.621 -0.307) 2.356 2.163 ( 1.681 1.621 -0.307) 2.356 2.246 ( -1.053 -0.839 1.581) 2.077 2.246 ( -1.053 0.839 1.581) 2.077 2.300 ( -1.292 -2.995 0.441) 3.291 2.300 ( -1.292 2.995 0.441) 3.291 2.401 ( -2.840 -0.860 0.886) 3.096 2.401 ( -2.840 0.860 0.886) 3.096 2.521 ( -0.134 -6.229 -2.236) 6.620 2.521 ( -0.134 6.229 -2.236) 6.620 2.661 ( 0.330 -0.906 -2.328) 2.520 2.661 ( 0.330 0.906 -2.328) 2.520 2.779 ( 1.508 -0.975 -3.993) 4.378 2.779 ( 1.508 0.975 -3.993) 4.378 3.729 ( -0.145 -2.724 1.139) 2.956 3.729 ( -0.145 2.724 1.139) 2.956 3.822 ( 0.985 -1.727 -3.615) 4.126 3.822 ( 0.985 1.727 -3.615) 4.126 3.938 ( -2.048 -2.360 7.658) 8.271 3.938 ( -2.048 2.360 7.658) 8.271 4.164 ( 0.966 -4.101 -2.616) 4.959 4.164 ( 0.966 4.101 -2.616) 4.959 4.509 ( -0.752 -2.380 1.803) 3.079 4.509 ( -0.752 2.380 1.803) 3.079 4.612 ( 0.742 -1.457 -1.567) 2.265 4.612 ( 0.742 1.457 -1.567) 2.265 4.699 ( 0.266 -0.472 0.137) 0.559 4.699 ( 0.266 0.472 0.137) 0.559 4.808 ( 1.295 -2.665 -2.645) 3.972 4.808 ( 1.295 2.665 -2.645) 3.972 5.549 ( 0.524 -1.786 6.242) 6.514 5.549 ( 0.524 1.786 6.242) 6.514 5.613 ( -1.796 -1.743 8.811) 9.160 5.613 ( -1.796 1.743 8.811) 9.160 5.762 ( 0.998 -8.318 -2.684) 8.797 5.762 ( 0.998 8.318 -2.684) 8.797 5.839 ( 2.584 -3.889 -4.803) 6.699 5.839 ( 2.584 3.889 -4.803) 6.699 6.063 ( 1.081 -6.702 2.596) 7.268 6.063 ( 1.081 6.702 2.596) 7.268 6.213 ( -0.302 -2.519 -5.788) 6.320 6.213 ( -0.302 2.519 -5.788) 6.320 ======================= Grid point 96 (54/66) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.946 -4.490 9.721) 10.750 0.636 ( 0.946 4.490 9.721) 10.750 0.772 ( -1.783 -4.030 4.015) 5.962 0.772 ( -1.783 4.030 4.015) 5.962 0.905 ( 1.986 -2.053 0.926) 3.003 0.905 ( 1.986 2.053 0.926) 3.003 0.958 ( 4.900 -3.553 -3.923) 7.213 0.958 ( 4.900 3.553 -3.923) 7.213 1.060 ( 0.686 -1.212 2.108) 2.527 1.060 ( 0.686 1.212 2.108) 2.527 1.166 ( 0.523 -0.608 0.742) 1.093 1.166 ( 0.523 0.608 0.742) 1.093 1.279 ( 0.796 -2.658 -2.241) 3.566 1.279 ( 0.796 2.658 -2.241) 3.566 1.326 ( -1.009 -4.996 1.296) 5.259 1.326 ( -1.009 4.996 1.296) 5.259 1.492 ( 0.307 -0.843 1.363) 1.632 1.492 ( 0.307 0.843 1.363) 1.632 1.533 ( -0.135 -1.098 1.137) 1.586 1.533 ( -0.135 1.098 1.137) 1.586 1.617 ( 0.632 -3.457 0.791) 3.602 1.617 ( 0.632 3.457 0.791) 3.602 1.695 ( -1.100 -2.458 -1.232) 2.961 1.695 ( -1.100 2.459 -1.232) 2.961 1.917 ( -0.874 -2.531 1.648) 3.145 1.917 ( -0.874 2.531 1.648) 3.145 2.009 ( -1.501 -1.985 -0.873) 2.637 2.009 ( -1.501 1.985 -0.873) 2.637 2.139 ( -0.435 -0.537 -0.407) 0.802 2.139 ( -0.435 0.537 -0.407) 0.802 2.193 ( 2.437 -3.357 -4.461) 6.091 2.193 ( 2.437 3.357 -4.461) 6.091 2.229 ( -1.203 -1.531 2.243) 2.970 2.229 ( -1.203 1.531 2.243) 2.970 2.286 ( 0.095 -2.027 0.175) 2.037 2.286 ( 0.095 2.027 0.175) 2.037 2.359 ( -2.091 -1.315 2.453) 3.481 2.359 ( -2.091 1.315 2.453) 3.481 2.489 ( -1.610 -5.530 -3.222) 6.599 2.489 ( -1.610 5.530 -3.222) 6.599 2.656 ( 0.586 -0.796 -2.143) 2.360 2.656 ( 0.586 0.796 -2.143) 2.360 2.782 ( 1.106 -0.842 -3.960) 4.197 2.782 ( 1.106 0.842 -3.960) 4.197 3.733 ( -0.315 -2.668 1.451) 3.053 3.733 ( -0.315 2.668 1.451) 3.053 3.824 ( 1.283 -1.565 -3.377) 3.937 3.824 ( 1.283 1.565 -3.377) 3.937 3.944 ( -1.948 -2.738 7.793) 8.486 3.944 ( -1.948 2.738 7.793) 8.486 4.169 ( 1.081 -4.229 -2.586) 5.073 4.169 ( 1.081 4.229 -2.586) 5.073 4.507 ( -0.510 -2.459 1.840) 3.113 4.507 ( -0.510 2.459 1.840) 3.113 4.618 ( 0.673 -1.239 -1.205) 1.855 4.618 ( 0.673 1.239 -1.205) 1.855 4.703 ( 0.027 -0.461 -0.007) 0.462 4.703 ( 0.027 0.461 -0.007) 0.462 4.810 ( 0.751 -2.796 -3.433) 4.491 4.810 ( 0.751 2.796 -3.433) 4.491 5.566 ( -1.846 -1.966 5.800) 6.396 5.566 ( -1.846 1.966 5.800) 6.396 5.638 ( -1.297 -0.981 8.061) 8.223 5.638 ( -1.297 0.981 8.061) 8.223 5.770 ( 1.152 -8.931 -2.251) 9.282 5.770 ( 1.152 8.931 -2.251) 9.282 5.867 ( 2.942 -3.320 -4.334) 6.202 5.867 ( 2.942 3.320 -4.334) 6.202 6.087 ( -0.338 -4.516 0.577) 4.565 6.087 ( -0.338 4.516 0.577) 4.565 6.186 ( 1.140 -1.329 -3.726) 4.117 6.186 ( 1.140 1.329 -3.726) 4.117 ======================= Grid point 105 (55/66) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 9.409 0.000 -10.766) 14.298 0.745 ( -9.409 0.000 10.766) 14.298 0.832 ( -0.268 0.000 -6.829) 6.834 0.832 ( 0.268 0.000 6.829) 6.834 0.946 ( -1.216 0.000 -1.712) 2.100 0.946 ( 1.217 0.000 1.712) 2.100 1.058 ( 1.014 0.000 -1.173) 1.550 1.058 ( -1.014 0.000 1.173) 1.550 1.104 ( 0.222 0.000 -3.432) 3.439 1.104 ( -0.222 0.000 3.432) 3.439 1.208 ( 1.193 0.000 -3.614) 3.805 1.208 ( -1.193 0.000 3.614) 3.805 1.270 ( 0.336 0.000 -3.657) 3.673 1.270 ( -0.336 0.000 3.657) 3.673 1.339 ( 1.061 0.000 -1.994) 2.259 1.339 ( -1.061 0.000 1.994) 2.259 1.438 ( 1.239 0.000 -0.897) 1.529 1.438 ( -1.238 0.000 0.897) 1.529 1.548 ( -0.056 0.000 -0.960) 0.962 1.548 ( 0.056 0.000 0.960) 0.962 1.633 ( -0.012 0.000 -2.154) 2.154 1.633 ( 0.012 0.000 2.154) 2.154 1.719 ( -0.152 0.000 -5.589) 5.592 1.719 ( 0.152 0.000 5.589) 5.592 1.934 ( 0.758 0.000 -5.156) 5.211 1.934 ( -0.758 0.000 5.156) 5.211 1.980 ( -1.451 0.000 -3.212) 3.525 1.980 ( 1.451 0.000 3.212) 3.525 2.088 ( -2.543 0.000 -1.357) 2.882 2.088 ( 2.543 0.000 1.357) 2.882 2.156 ( -0.925 0.000 -1.059) 1.406 2.156 ( 0.925 0.000 1.059) 1.407 2.169 ( -3.280 0.000 1.035) 3.439 2.169 ( 3.280 0.000 -1.035) 3.439 2.268 ( 0.506 0.000 -1.690) 1.764 2.268 ( -0.506 0.000 1.690) 1.764 2.421 ( 1.284 0.000 -2.746) 3.031 2.421 ( -1.284 0.000 2.746) 3.031 2.474 ( -1.798 0.000 -5.977) 6.242 2.474 ( 1.798 0.000 5.977) 6.242 2.729 ( 0.176 0.000 -0.838) 0.857 2.729 ( -0.176 0.000 0.838) 0.857 2.761 ( 1.061 0.000 -1.207) 1.607 2.761 ( -1.061 0.000 1.207) 1.607 3.718 ( 1.654 0.000 -3.450) 3.826 3.718 ( -1.654 0.000 3.450) 3.826 3.858 ( -0.683 0.000 -0.197) 0.711 3.858 ( 0.683 0.000 0.197) 0.711 3.983 ( 1.387 0.000 -2.920) 3.232 3.983 ( -1.387 0.000 2.920) 3.232 4.276 ( 1.646 0.000 -3.239) 3.633 4.276 ( -1.646 0.000 3.239) 3.633 4.475 ( 0.280 0.000 -1.436) 1.463 4.475 ( -0.280 0.000 1.436) 1.463 4.621 ( 1.207 0.000 -3.024) 3.256 4.621 ( -1.207 0.000 3.024) 3.256 4.706 ( 0.360 0.000 -1.443) 1.487 4.706 ( -0.360 0.000 1.443) 1.487 4.768 ( 0.211 0.000 -2.320) 2.329 4.768 ( -0.211 0.000 2.320) 2.329 5.403 ( 0.054 0.000 -0.168) 0.177 5.403 ( -0.054 0.000 0.168) 0.177 5.646 ( 1.440 0.000 -1.419) 2.021 5.646 ( -1.440 0.000 1.419) 2.021 5.772 ( -0.133 0.000 -1.665) 1.670 5.772 ( 0.133 0.000 1.665) 1.670 5.872 ( 1.895 0.000 -8.304) 8.517 5.872 ( -1.895 0.000 8.304) 8.517 6.124 ( 3.155 0.000 -1.774) 3.619 6.124 ( -3.155 0.000 1.774) 3.619 6.278 ( 1.840 0.000 -1.978) 2.702 6.278 ( -1.840 0.000 1.978) 2.702 ======================= Grid point 107 (56/66) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -6.107 0.000 8.730) 10.654 0.804 ( 1.525 0.000 -7.047) 7.210 0.808 ( 2.828 0.000 -12.936) 13.242 0.880 ( 1.210 0.000 4.922) 5.068 0.905 ( -1.927 0.000 -1.872) 2.686 0.961 ( -0.827 0.000 2.805) 2.924 1.002 ( -4.751 0.000 -1.139) 4.885 1.034 ( -2.413 0.000 -2.159) 3.238 1.076 ( -2.167 0.000 -3.322) 3.966 1.083 ( 2.089 0.000 -6.218) 6.560 1.179 ( -3.051 0.000 3.393) 4.563 1.185 ( -1.301 0.000 -3.512) 3.745 1.260 ( 0.606 0.000 -8.149) 8.172 1.292 ( 1.290 0.000 -0.646) 1.443 1.312 ( -2.432 0.000 0.103) 2.434 1.345 ( 1.012 0.000 0.080) 1.015 1.455 ( 1.467 0.000 4.774) 4.995 1.455 ( -0.106 0.000 -0.323) 0.340 1.541 ( -0.543 0.000 1.232) 1.346 1.547 ( -0.520 0.000 1.393) 1.487 1.640 ( 1.740 0.000 -2.510) 3.055 1.658 ( 0.456 0.000 3.793) 3.820 1.719 ( 2.323 0.000 -2.771) 3.616 1.775 ( 2.210 0.000 4.730) 5.221 1.908 ( -2.479 0.000 -1.995) 3.182 1.924 ( 1.372 0.000 -4.946) 5.133 1.967 ( -0.352 0.000 2.866) 2.887 2.012 ( -1.564 0.000 3.944) 4.243 2.016 ( -1.965 0.000 -1.895) 2.730 2.112 ( -1.041 0.000 3.853) 3.991 2.123 ( -1.541 0.000 2.404) 2.856 2.128 ( -1.108 0.000 5.585) 5.694 2.186 ( 0.281 0.000 -1.851) 1.872 2.243 ( 3.511 0.000 -1.244) 3.725 2.301 ( 3.404 0.000 -1.123) 3.584 2.313 ( 3.964 0.000 1.820) 4.362 2.413 ( -0.343 0.000 1.408) 1.449 2.417 ( -0.097 0.000 -2.859) 2.861 2.433 ( 0.930 0.000 -4.974) 5.060 2.546 ( 2.326 0.000 4.477) 5.045 2.726 ( -0.049 0.000 -1.091) 1.092 2.729 ( 0.104 0.000 -0.832) 0.838 2.750 ( -0.836 0.000 1.661) 1.859 2.770 ( 0.023 0.000 0.253) 0.254 3.704 ( -1.650 0.000 3.026) 3.447 3.724 ( 1.133 0.000 -3.692) 3.862 3.847 ( -0.336 0.000 -0.292) 0.445 3.871 ( 0.411 0.000 0.343) 0.536 3.974 ( -1.115 0.000 2.415) 2.660 3.991 ( 1.335 0.000 -3.245) 3.509 4.257 ( -2.356 0.000 3.759) 4.436 4.279 ( 0.542 0.000 -3.301) 3.345 4.473 ( 0.348 0.000 -1.449) 1.491 4.476 ( -0.488 0.000 1.209) 1.304 4.613 ( -1.504 0.000 3.324) 3.649 4.624 ( 0.805 0.000 -2.805) 2.918 4.706 ( 0.384 0.000 -1.243) 1.301 4.709 ( -0.330 0.000 1.632) 1.665 4.759 ( 0.021 0.000 -1.244) 1.244 4.775 ( -0.438 0.000 2.612) 2.649 5.402 ( -0.134 0.000 -0.142) 0.195 5.402 ( -0.105 0.000 0.120) 0.159 5.619 ( -3.266 0.000 5.066) 6.028 5.654 ( -0.306 0.000 0.398) 0.502 5.751 ( -0.365 0.000 -3.828) 3.846 5.771 ( -1.096 0.000 1.221) 1.641 5.867 ( 2.493 0.000 -8.246) 8.615 5.882 ( -2.010 0.000 8.042) 8.290 6.070 ( -4.039 0.000 4.285) 5.888 6.147 ( 0.023 0.000 -2.262) 2.262 6.255 ( -1.034 0.000 1.444) 1.776 6.292 ( 1.248 0.000 -2.986) 3.236 ======================= Grid point 108 (57/66) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.673 0.000 3.598) 3.660 0.729 ( -1.310 0.000 -14.541) 14.599 0.809 ( 1.975 0.000 -6.199) 6.506 0.868 ( -0.599 0.000 0.545) 0.810 0.904 ( -3.282 0.000 -3.466) 4.774 0.906 ( -0.831 0.000 0.236) 0.864 0.953 ( -1.195 0.000 1.238) 1.721 0.994 ( -1.305 0.000 2.818) 3.106 1.022 ( -0.563 0.000 -4.744) 4.778 1.063 ( -3.030 0.000 0.541) 3.078 1.130 ( -1.964 0.000 -4.442) 4.857 1.164 ( -1.589 0.000 3.947) 4.255 1.202 ( -1.825 0.000 -6.992) 7.226 1.255 ( -2.994 0.000 -1.345) 3.282 1.311 ( 1.187 0.000 -0.719) 1.387 1.364 ( 0.189 0.000 0.459) 0.496 1.433 ( -0.243 0.000 -2.267) 2.280 1.519 ( 1.081 0.000 5.802) 5.902 1.537 ( 0.001 0.000 -0.065) 0.065 1.556 ( 1.063 0.000 0.066) 1.065 1.661 ( 2.349 0.000 -4.214) 4.825 1.678 ( -1.187 0.000 5.280) 5.412 1.756 ( 2.692 0.000 -1.648) 3.156 1.821 ( 1.326 0.000 -2.688) 2.997 1.879 ( -0.313 0.000 3.234) 3.249 1.932 ( 0.164 0.000 -0.452) 0.481 1.944 ( -1.571 0.000 -1.715) 2.326 1.957 ( -1.904 0.000 1.754) 2.589 2.054 ( 2.765 0.000 -0.447) 2.801 2.113 ( -1.217 0.000 5.169) 5.310 2.129 ( -0.028 0.000 3.292) 3.292 2.143 ( -0.853 0.000 -0.146) 0.865 2.188 ( 2.224 0.000 1.909) 2.931 2.286 ( 1.468 0.000 0.973) 1.761 2.354 ( 2.777 0.000 -1.830) 3.326 2.381 ( -0.181 0.000 -2.392) 2.399 2.394 ( -1.813 0.000 1.492) 2.348 2.398 ( 1.251 0.000 2.212) 2.541 2.487 ( 5.961 0.000 -3.056) 6.699 2.598 ( 1.474 0.000 1.839) 2.357 2.713 ( -1.486 0.000 1.599) 2.183 2.721 ( -0.248 0.000 -1.920) 1.936 2.750 ( 0.279 0.000 -0.234) 0.364 2.764 ( -0.889 0.000 1.164) 1.465 3.694 ( -1.060 0.000 2.627) 2.833 3.719 ( 0.490 0.000 -3.579) 3.612 3.845 ( 0.411 0.000 -0.563) 0.697 3.875 ( -0.205 0.000 0.542) 0.579 3.969 ( -0.651 0.000 2.037) 2.138 3.994 ( 0.779 0.000 -3.219) 3.312 4.236 ( -2.219 0.000 4.578) 5.087 4.263 ( -0.040 0.000 -3.885) 3.886 4.471 ( -0.579 0.000 1.069) 1.216 4.472 ( 0.311 0.000 -1.108) 1.151 4.604 ( -1.365 0.000 3.275) 3.548 4.620 ( 0.414 0.000 -2.771) 2.802 4.706 ( 0.334 0.000 -1.202) 1.248 4.710 ( -0.510 0.000 1.469) 1.555 4.757 ( 0.165 0.000 -0.003) 0.165 4.779 ( -0.597 0.000 1.967) 2.056 5.396 ( -0.385 0.000 0.130) 0.407 5.400 ( -0.190 0.000 0.035) 0.193 5.590 ( -3.474 0.000 7.807) 8.545 5.641 ( -0.891 0.000 -1.012) 1.348 5.722 ( 0.283 0.000 -5.949) 5.956 5.741 ( -2.744 0.000 1.155) 2.977 5.869 ( 2.772 0.000 -9.137) 9.548 5.884 ( -2.820 0.000 8.904) 9.340 6.035 ( -3.101 0.000 7.837) 8.428 6.107 ( -0.984 0.000 -6.114) 6.192 6.262 ( 0.191 0.000 2.687) 2.694 6.295 ( 0.983 0.000 -3.453) 3.590 ======================= Grid point 109 (58/66) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 1.069 0.000 -9.638) 9.697 0.655 ( -1.015 0.000 1.826) 2.089 0.816 ( 3.039 0.000 0.057) 3.039 0.855 ( 0.130 0.000 -2.398) 2.401 0.871 ( -2.212 0.000 0.676) 2.313 0.904 ( -4.411 0.000 -1.095) 4.545 0.928 ( 5.509 0.000 -2.398) 6.008 0.993 ( -2.797 0.000 3.619) 4.573 1.018 ( 2.346 0.000 -1.869) 3.000 1.030 ( -0.319 0.000 4.240) 4.252 1.072 ( -1.330 0.000 -4.917) 5.094 1.101 ( -5.514 0.000 -1.155) 5.633 1.164 ( -0.954 0.000 4.617) 4.714 1.196 ( -1.661 0.000 -3.631) 3.993 1.331 ( 1.165 0.000 0.127) 1.171 1.354 ( -1.107 0.000 -0.102) 1.111 1.452 ( 3.665 0.000 -3.921) 5.367 1.502 ( -3.454 0.000 3.366) 4.822 1.572 ( 1.311 0.000 0.184) 1.324 1.576 ( 0.558 0.000 0.535) 0.773 1.676 ( 2.100 0.000 -5.364) 5.760 1.680 ( -1.603 0.000 5.527) 5.755 1.794 ( 1.888 0.000 -0.466) 1.945 1.816 ( 0.056 0.000 -2.366) 2.367 1.890 ( -0.987 0.000 2.466) 2.656 1.896 ( -1.295 0.000 -0.179) 1.307 1.947 ( 0.045 0.000 2.373) 2.374 1.957 ( 0.971 0.000 -2.124) 2.335 2.091 ( 2.560 0.000 -3.797) 4.579 2.113 ( -1.967 0.000 4.392) 4.812 2.137 ( 0.963 0.000 -1.309) 1.625 2.143 ( -0.540 0.000 2.783) 2.835 2.255 ( 3.375 0.000 1.211) 3.586 2.308 ( -1.137 0.000 2.567) 2.808 2.338 ( -0.672 0.000 -2.646) 2.730 2.354 ( -1.528 0.000 -0.040) 1.529 2.404 ( 2.215 0.000 -1.148) 2.495 2.426 ( -0.575 0.000 2.000) 2.081 2.580 ( 4.827 0.000 -1.688) 5.114 2.621 ( 0.003 0.000 0.497) 0.497 2.691 ( -1.779 0.000 2.621) 3.168 2.698 ( -0.890 0.000 -1.776) 1.987 2.753 ( 0.363 0.000 -0.867) 0.940 2.756 ( -0.568 0.000 0.960) 1.116 3.695 ( -0.388 0.000 2.613) 2.642 3.706 ( 0.164 0.000 -3.090) 3.094 3.855 ( 1.000 0.000 -0.728) 1.237 3.869 ( -0.817 0.000 0.720) 1.089 3.973 ( -0.175 0.000 2.197) 2.204 3.985 ( 0.138 0.000 -2.803) 2.806 4.229 ( -1.354 0.000 5.021) 5.200 4.241 ( 0.347 0.000 -4.655) 4.668 4.468 ( -0.286 0.000 0.934) 0.977 4.470 ( 0.094 0.000 -0.852) 0.857 4.602 ( -0.666 0.000 2.931) 3.006 4.610 ( 0.233 0.000 -2.784) 2.794 4.706 ( 0.379 0.000 -1.265) 1.321 4.707 ( -0.544 0.000 1.342) 1.448 4.765 ( 0.495 0.000 0.190) 0.530 4.774 ( -0.653 0.000 0.750) 0.995 5.392 ( -0.131 0.000 0.397) 0.418 5.396 ( -0.227 0.000 -0.186) 0.293 5.584 ( -1.865 0.000 8.508) 8.710 5.611 ( -0.014 0.000 -6.428) 6.428 5.700 ( 1.190 0.000 -6.611) 6.718 5.702 ( -2.678 0.000 4.883) 5.569 5.871 ( 3.099 0.000 -9.624) 10.110 5.878 ( -3.202 0.000 9.492) 10.017 6.038 ( -1.907 0.000 9.458) 9.648 6.064 ( 0.750 0.000 -8.741) 8.773 6.280 ( -0.171 0.000 3.386) 3.390 6.291 ( 0.697 0.000 -3.571) 3.639 ======================= Grid point 113 (59/66) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 7.539 2.895 -8.697) 11.868 0.781 ( -7.539 2.895 8.697) 11.868 0.831 ( -0.080 -0.357 -4.123) 4.139 0.831 ( 0.080 -0.356 4.123) 4.139 0.961 ( -0.612 -1.070 -2.283) 2.594 0.961 ( 0.612 -1.070 2.283) 2.594 1.009 ( 0.158 -1.116 -3.843) 4.005 1.009 ( -0.158 -1.116 3.843) 4.005 1.084 ( -0.778 -1.704 -1.702) 2.531 1.084 ( 0.778 -1.704 1.702) 2.531 1.204 ( -0.057 0.230 -0.860) 0.892 1.204 ( 0.057 0.230 0.860) 0.892 1.306 ( -1.091 0.700 -2.912) 3.188 1.306 ( 1.091 0.700 2.912) 3.188 1.331 ( 1.907 -1.144 -3.652) 4.276 1.331 ( -1.907 -1.144 3.652) 4.276 1.446 ( -1.267 2.081 -1.589) 2.908 1.446 ( 1.267 2.081 1.589) 2.908 1.545 ( 0.521 -0.193 -1.835) 1.917 1.545 ( -0.521 -0.193 1.835) 1.917 1.608 ( -0.205 -0.328 -2.359) 2.391 1.608 ( 0.205 -0.328 2.359) 2.391 1.723 ( -1.216 -0.170 -4.367) 4.537 1.723 ( 1.216 -0.170 4.367) 4.537 1.944 ( -0.381 -0.887 -2.208) 2.410 1.944 ( 0.381 -0.887 2.208) 2.410 1.980 ( -1.502 0.015 -1.382) 2.041 1.980 ( 1.502 0.015 1.382) 2.041 2.068 ( -0.521 -0.124 -2.142) 2.208 2.068 ( 0.521 -0.124 2.142) 2.208 2.140 ( 3.790 -1.539 -3.553) 5.418 2.140 ( -3.790 -1.539 3.553) 5.418 2.201 ( -1.569 2.708 -0.376) 3.152 2.201 ( 1.569 2.708 0.376) 3.152 2.295 ( 0.801 2.220 -2.044) 3.122 2.295 ( -0.801 2.220 2.044) 3.122 2.408 ( -0.304 -1.261 -0.801) 1.525 2.408 ( 0.304 -1.261 0.801) 1.525 2.454 ( -2.102 -1.939 -4.210) 5.089 2.454 ( 2.102 -1.939 4.210) 5.089 2.686 ( 0.380 -2.821 -1.775) 3.354 2.686 ( -0.380 -2.821 1.775) 3.354 2.737 ( 0.346 -1.626 -1.156) 2.025 2.737 ( -0.346 -1.626 1.156) 2.025 3.733 ( 1.446 1.300 -3.194) 3.739 3.733 ( -1.446 1.300 3.194) 3.739 3.824 ( 0.785 -2.342 -1.563) 2.923 3.824 ( -0.785 -2.342 1.563) 2.923 4.017 ( 1.149 2.411 -4.065) 4.864 4.017 ( -1.149 2.411 4.065) 4.864 4.194 ( 1.694 -5.296 -5.002) 7.479 4.194 ( -1.694 -5.296 5.002) 7.479 4.500 ( 0.114 2.000 -2.046) 2.863 4.500 ( -0.114 2.000 2.046) 2.863 4.620 ( 0.811 -0.607 -1.897) 2.150 4.620 ( -0.811 -0.607 1.897) 2.150 4.711 ( 0.313 0.532 -1.709) 1.817 4.711 ( -0.313 0.532 1.709) 1.817 4.764 ( 0.193 -0.847 -3.632) 3.734 4.764 ( -0.193 -0.847 3.632) 3.734 5.521 ( 0.070 8.969 -0.702) 8.997 5.521 ( -0.070 8.969 0.702) 8.997 5.651 ( 0.369 0.412 -0.389) 0.676 5.651 ( -0.369 0.412 0.389) 0.676 5.772 ( 0.203 -0.026 -1.828) 1.839 5.772 ( -0.203 -0.026 1.828) 1.839 5.867 ( 1.333 -0.636 -6.881) 7.038 5.867 ( -1.333 -0.636 6.881) 7.038 6.092 ( 2.883 -2.502 -3.102) 4.919 6.092 ( -2.883 -2.502 3.102) 4.919 6.233 ( 1.649 -3.285 -1.547) 3.987 6.233 ( -1.649 -3.285 1.547) 3.987 ======================= Grid point 115 (60/66) ======================= q-point: ( 0.14 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -5.557 4.067 7.398) 10.107 0.806 ( -0.051 -0.043 -3.710) 3.711 0.832 ( 0.698 1.683 -10.986) 11.137 0.839 ( -1.290 -1.542 3.327) 3.887 0.907 ( -0.200 -3.756 -2.437) 4.482 0.951 ( -2.330 -2.955 -6.494) 7.505 0.978 ( -0.674 1.082 -2.318) 2.645 1.003 ( -1.037 0.423 0.762) 1.355 1.064 ( -0.522 0.719 -2.280) 2.447 1.102 ( -0.540 -1.847 -0.469) 1.980 1.170 ( -1.083 0.176 1.602) 1.942 1.212 ( 0.037 -0.193 -2.120) 2.129 1.274 ( -1.165 -1.676 -0.178) 2.049 1.287 ( -2.761 -2.029 -0.862) 3.533 1.315 ( -0.739 1.308 -2.339) 2.780 1.339 ( 0.716 3.538 -4.008) 5.394 1.427 ( -0.523 0.105 0.694) 0.875 1.487 ( 1.539 1.657 3.399) 4.083 1.545 ( 0.243 -0.644 1.685) 1.820 1.564 ( 0.723 0.583 0.651) 1.134 1.610 ( 1.460 -0.821 -1.968) 2.584 1.633 ( 0.762 0.220 1.568) 1.757 1.704 ( 1.214 -1.318 -2.252) 2.878 1.774 ( 2.023 -1.453 0.912) 2.653 1.904 ( -0.465 0.826 -1.283) 1.595 1.951 ( 0.285 0.436 -1.944) 2.012 1.986 ( -0.551 -0.204 3.613) 3.660 2.003 ( -2.490 -1.145 0.047) 2.741 2.027 ( 0.567 1.475 3.502) 3.842 2.096 ( -0.341 0.086 2.603) 2.626 2.109 ( -1.721 -1.030 4.840) 5.239 2.163 ( 0.755 2.782 -0.777) 2.986 2.206 ( 0.220 -0.592 -0.379) 0.737 2.228 ( 1.971 1.319 0.263) 2.387 2.313 ( 1.684 -0.102 0.006) 1.687 2.318 ( 2.227 1.323 -0.871) 2.732 2.387 ( 0.502 -1.724 -1.004) 2.057 2.421 ( 0.272 0.209 -1.156) 1.206 2.423 ( 0.619 -1.065 -1.903) 2.267 2.530 ( 2.762 -2.021 4.356) 5.540 2.684 ( 0.839 -2.740 -3.028) 4.169 2.689 ( 0.258 -2.922 -0.271) 2.946 2.726 ( -1.109 -1.209 1.399) 2.156 2.740 ( -0.539 -1.998 1.369) 2.481 3.720 ( -1.382 1.340 2.246) 2.958 3.740 ( 0.896 1.319 -2.826) 3.245 3.813 ( -0.688 -2.313 0.807) 2.545 3.835 ( 0.686 -2.513 -0.988) 2.786 4.002 ( -0.657 2.253 -0.128) 2.350 4.033 ( 0.854 2.668 -0.420) 2.833 4.176 ( -1.663 -5.428 1.651) 5.913 4.201 ( 0.481 -4.962 -1.740) 5.280 4.487 ( -0.233 1.780 -0.998) 2.054 4.513 ( 0.329 2.443 0.990) 2.657 4.608 ( -1.130 -0.867 1.021) 1.753 4.624 ( 0.335 -0.542 -1.224) 1.380 4.707 ( 0.122 0.279 -0.981) 1.027 4.716 ( -0.293 0.720 1.591) 1.771 4.749 ( 0.227 -0.966 -2.606) 2.789 4.779 ( -0.494 -0.689 3.900) 3.991 5.512 ( -0.676 8.458 -0.039) 8.485 5.523 ( -0.013 9.151 0.140) 9.152 5.634 ( -2.099 1.323 3.607) 4.378 5.654 ( -0.852 -0.035 1.631) 1.841 5.757 ( -0.406 0.476 -3.174) 3.234 5.768 ( -1.203 -0.300 1.184) 1.715 5.851 ( 1.018 -1.425 -5.871) 6.126 5.878 ( -1.201 -0.966 4.301) 4.569 6.054 ( -3.287 -1.049 5.589) 6.568 6.125 ( 1.582 -1.955 -2.579) 3.602 6.203 ( -1.673 -3.719 0.543) 4.114 6.246 ( 1.075 -3.644 -3.025) 4.856 ======================= Grid point 116 (61/66) ======================= q-point: ( 0.29 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.801 2.678 2.427) 3.702 0.724 ( -3.090 -0.156 -10.135) 10.597 0.794 ( 0.043 -0.473 -3.497) 3.529 0.838 ( 0.339 -1.462 -0.108) 1.505 0.858 ( -2.618 -2.105 -2.923) 4.453 0.884 ( -1.986 -3.264 -3.720) 5.332 0.947 ( -1.546 -2.639 -1.873) 3.586 0.994 ( 0.034 1.445 -1.792) 2.302 1.047 ( -0.001 1.691 -1.045) 1.988 1.068 ( -1.171 0.685 -0.638) 1.499 1.166 ( -1.249 -0.753 0.691) 1.614 1.188 ( -1.570 2.182 -1.664) 3.162 1.231 ( -3.364 1.598 1.478) 4.007 1.249 ( -1.542 -2.862 -0.634) 3.312 1.284 ( -1.274 -1.758 -1.017) 2.397 1.319 ( -1.236 1.644 -2.376) 3.143 1.428 ( 1.561 0.970 -0.869) 2.033 1.530 ( 0.876 0.856 2.744) 3.005 1.564 ( 0.896 -0.288 -0.511) 1.071 1.575 ( 0.490 0.782 -0.126) 0.932 1.631 ( 1.419 -0.999 -0.561) 1.824 1.650 ( 0.977 0.597 -0.830) 1.414 1.728 ( 1.211 -2.832 1.324) 3.353 1.804 ( 2.496 -2.137 -4.639) 5.685 1.923 ( 1.262 3.200 2.710) 4.379 1.925 ( -3.345 -0.042 1.888) 3.842 1.961 ( 1.975 0.416 -1.106) 2.302 2.015 ( -2.723 3.575 1.800) 4.841 2.046 ( 1.957 -0.678 2.428) 3.192 2.093 ( -0.951 -0.245 1.466) 1.764 2.126 ( 0.296 -0.519 3.239) 3.293 2.174 ( -1.565 0.379 -0.759) 1.780 2.207 ( 2.746 2.340 0.983) 3.739 2.267 ( 1.587 -0.663 1.503) 2.284 2.331 ( 0.569 -1.852 -1.419) 2.402 2.369 ( 1.837 -1.822 1.366) 2.926 2.391 ( 0.072 0.355 1.145) 1.201 2.414 ( -0.167 2.157 -1.475) 2.619 2.467 ( 4.767 -1.953 -1.953) 5.509 2.588 ( 1.171 -1.744 2.917) 3.595 2.684 ( 0.751 -2.191 -2.687) 3.548 2.691 ( 0.365 -3.598 -1.740) 4.014 2.712 ( -1.136 -0.613 1.684) 2.122 2.732 ( -1.412 -2.096 2.373) 3.467 3.710 ( -0.796 1.412 1.861) 2.468 3.735 ( 0.261 1.371 -2.692) 3.032 3.809 ( -0.119 -2.426 0.694) 2.527 3.837 ( 0.111 -2.736 -1.066) 2.938 3.994 ( -0.020 2.141 -0.085) 2.143 4.040 ( 0.004 2.848 -0.707) 2.934 4.157 ( -1.125 -5.354 1.775) 5.752 4.193 ( -0.245 -4.479 -1.728) 4.807 4.482 ( 0.191 1.784 -0.582) 1.886 4.519 ( -0.286 2.938 0.450) 2.986 4.595 ( -0.754 -1.241 1.077) 1.808 4.620 ( -0.075 -0.551 -1.224) 1.344 4.704 ( 0.013 0.016 -0.675) 0.675 4.713 ( -0.631 0.344 0.744) 1.034 4.750 ( 0.926 -0.514 -1.037) 1.483 4.786 ( -0.912 -0.495 3.413) 3.568 5.497 ( -1.156 7.528 1.229) 7.715 5.520 ( -0.409 9.047 -0.106) 9.057 5.619 ( -2.155 2.793 5.631) 6.645 5.642 ( -1.126 -0.064 1.322) 1.738 5.724 ( -0.507 0.370 -5.151) 5.189 5.737 ( -2.268 -0.339 -0.525) 2.353 5.843 ( 1.633 -2.295 -5.732) 6.387 5.870 ( -2.117 -1.730 4.754) 5.484 6.039 ( -2.396 0.584 8.250) 8.610 6.109 ( -0.043 0.461 -6.457) 6.474 6.201 ( 0.182 -4.982 2.938) 5.787 6.245 ( 0.871 -4.065 -3.758) 5.604 ======================= Grid point 117 (62/66) ======================= q-point: ( 0.43 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.117 -0.685 -5.646) 5.689 0.655 ( -2.319 -0.371 -1.168) 2.622 0.792 ( 0.787 -0.806 1.785) 2.111 0.819 ( 1.302 -2.016 -3.845) 4.533 0.832 ( -1.364 -2.833 0.175) 3.149 0.872 ( -1.171 -1.315 -0.884) 1.970 0.914 ( 1.969 -2.151 -1.673) 3.362 0.966 ( -2.744 -2.913 0.798) 4.080 1.058 ( 2.370 3.200 -1.724) 4.339 1.079 ( 1.634 2.935 1.452) 3.659 1.119 ( -3.769 2.488 -0.517) 4.545 1.136 ( -2.726 3.715 -1.995) 5.022 1.195 ( -1.694 1.442 5.355) 5.799 1.216 ( -0.868 0.378 -3.083) 3.225 1.268 ( 0.325 -4.857 -1.855) 5.209 1.277 ( -1.916 -3.783 1.423) 4.473 1.479 ( 3.942 2.485 -2.049) 5.090 1.530 ( -2.302 1.669 1.717) 3.321 1.573 ( 0.732 -0.434 -0.225) 0.880 1.581 ( 0.077 -0.783 -0.359) 0.865 1.653 ( 0.774 -0.157 0.489) 0.929 1.659 ( 0.499 0.534 -1.107) 1.327 1.758 ( 1.246 -2.564 1.816) 3.380 1.795 ( -1.027 -2.692 -3.105) 4.236 1.920 ( 1.829 2.239 0.542) 2.942 1.960 ( -0.757 4.077 0.620) 4.193 1.977 ( -0.390 2.341 3.034) 3.852 2.000 ( 1.349 2.999 -0.942) 3.420 2.053 ( 1.016 -2.102 -2.499) 3.420 2.097 ( -3.371 -1.327 4.264) 5.595 2.128 ( 1.422 -1.125 -0.492) 1.879 2.152 ( -0.594 -0.527 -0.492) 0.934 2.269 ( 2.909 1.215 -0.038) 3.153 2.297 ( -0.382 -0.609 2.288) 2.399 2.332 ( 1.040 -0.174 -0.056) 1.056 2.366 ( -1.385 -0.194 -0.932) 1.681 2.408 ( -0.336 0.930 2.195) 2.408 2.410 ( 0.787 0.468 -1.498) 1.756 2.550 ( 4.741 -3.107 -1.795) 5.946 2.601 ( -1.486 -2.638 2.079) 3.673 2.676 ( -0.434 -1.227 -0.240) 1.324 2.680 ( -0.377 -2.187 -1.221) 2.533 2.711 ( 0.469 -1.459 -0.337) 1.569 2.719 ( -1.037 -1.985 1.680) 2.800 3.712 ( -0.150 1.447 1.817) 2.328 3.723 ( -0.062 1.425 -2.233) 2.650 3.816 ( 0.342 -2.656 0.831) 2.804 3.828 ( -0.336 -2.818 -1.042) 3.023 4.002 ( 0.848 2.104 0.216) 2.279 4.024 ( -1.082 2.392 -0.598) 2.692 4.158 ( 0.123 -4.640 1.764) 4.965 4.175 ( -0.578 -4.237 -1.700) 4.602 4.489 ( 0.781 2.082 -0.157) 2.229 4.506 ( -1.009 2.637 0.027) 2.824 4.596 ( 0.135 -0.980 1.267) 1.608 4.609 ( -0.348 -0.649 -1.269) 1.467 4.702 ( 0.116 -0.114 -0.364) 0.399 4.705 ( -0.449 -0.014 0.321) 0.552 4.766 ( 1.320 -0.182 -1.130) 1.747 4.782 ( -1.270 -0.264 2.293) 2.635 5.492 ( -0.246 7.314 1.986) 7.583 5.506 ( -0.709 8.224 -0.942) 8.308 5.618 ( -1.386 3.163 5.813) 6.762 5.629 ( 0.140 1.533 -2.956) 3.333 5.691 ( -0.801 -0.462 -0.905) 1.293 5.696 ( -0.797 -0.516 -2.395) 2.576 5.847 ( 2.175 -2.350 -5.982) 6.785 5.857 ( -2.379 -2.182 5.795) 6.633 6.051 ( -1.647 1.263 9.117) 9.350 6.075 ( 0.944 1.200 -8.482) 8.618 6.223 ( -0.068 -4.732 3.822) 6.083 6.238 ( 0.618 -4.405 -3.971) 5.963 ======================= Grid point 121 (63/66) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 0.000 -0.000) 0.000 0.814 ( 0.000 0.000 0.000) 0.000 0.852 ( 0.000 -0.000 -0.000) 0.000 0.852 ( -0.000 -0.000 0.000) 0.000 0.901 ( -0.000 -0.000 0.000) 0.000 0.901 ( 0.000 0.000 -0.000) 0.000 0.992 ( 0.000 0.000 -0.000) 0.000 0.992 ( 0.000 -0.000 0.000) 0.000 1.119 ( -0.000 -0.000 -0.000) 0.000 1.119 ( 0.000 0.000 -0.000) 0.000 1.171 ( 0.000 -0.000 0.000) 0.000 1.171 ( 0.000 0.000 0.000) 0.000 1.269 ( 0.000 0.000 -0.000) 0.000 1.269 ( 0.000 -0.000 0.000) 0.000 1.349 ( 0.000 -0.000 -0.000) 0.000 1.349 ( 0.000 0.000 0.000) 0.000 1.487 ( 0.000 0.000 -0.000) 0.000 1.487 ( -0.000 0.000 0.000) 0.000 1.537 ( -0.000 -0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.637 ( -0.000 -0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 -0.000 -0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 -0.000 -0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 1.962 ( -0.000 -0.000 0.000) 0.000 2.095 ( 0.000 -0.000 -0.000) 0.000 2.095 ( 0.000 0.000 -0.000) 0.000 2.106 ( -0.000 -0.000 0.000) 0.000 2.106 ( -0.000 0.000 0.000) 0.000 2.252 ( 0.000 -0.000 0.000) 0.000 2.252 ( 0.000 -0.000 -0.000) 0.000 2.334 ( -0.000 0.000 -0.000) 0.000 2.334 ( -0.000 0.000 0.000) 0.000 2.373 ( 0.000 -0.000 -0.000) 0.000 2.373 ( -0.000 -0.000 0.000) 0.000 2.418 ( 0.000 -0.000 0.000) 0.000 2.418 ( 0.000 -0.000 0.000) 0.000 2.650 ( 0.000 -0.000 -0.000) 0.000 2.650 ( -0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 -0.000 -0.000) 0.000 3.771 ( -0.000 -0.000 0.000) 0.000 3.774 ( 0.000 0.000 -0.000) 0.000 3.774 ( -0.000 0.000 0.000) 0.000 4.064 ( -0.000 -0.000 0.000) 0.000 4.064 ( -0.000 -0.000 0.000) 0.000 4.112 ( 0.000 0.000 -0.000) 0.000 4.112 ( 0.000 0.000 -0.000) 0.000 4.536 ( 0.000 -0.000 -0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 -0.000 0.000) 0.000 4.602 ( 0.000 -0.000 0.000) 0.000 4.731 ( 0.000 -0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 -0.000 -0.000) 0.000 4.736 ( 0.000 0.000 -0.000) 0.000 5.646 ( 0.000 -0.000 -0.000) 0.000 5.646 ( -0.000 0.000 0.000) 0.000 5.687 ( 0.000 -0.000 -0.000) 0.000 5.687 ( 0.000 0.000 -0.000) 0.000 5.768 ( 0.000 -0.000 0.000) 0.000 5.768 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 -0.000 -0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 -0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 -0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 125 (64/66) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -4.831 -3.895 2.504) 6.691 0.796 ( -4.831 3.895 2.504) 6.691 0.810 ( -0.415 -1.288 0.221) 1.371 0.810 ( -0.415 1.288 0.221) 1.371 0.899 ( -0.203 -2.404 -6.760) 7.177 0.899 ( -0.203 2.404 -6.760) 7.177 0.975 ( -0.440 -2.500 -3.547) 4.362 0.975 ( -0.440 2.500 -3.547) 4.362 1.104 ( -0.537 -1.466 -2.377) 2.844 1.104 ( -0.537 1.466 -2.377) 2.844 1.166 ( -0.414 -1.444 -0.049) 1.503 1.166 ( -0.414 1.444 -0.049) 1.503 1.249 ( -1.265 -1.348 -0.137) 1.854 1.249 ( -1.265 1.348 -0.137) 1.854 1.360 ( -0.160 -2.030 -0.657) 2.140 1.360 ( -0.160 2.030 -0.657) 2.140 1.488 ( 0.235 -3.568 1.370) 3.829 1.488 ( 0.235 3.568 1.370) 3.829 1.543 ( -0.082 -1.597 2.599) 3.051 1.543 ( -0.082 1.597 2.599) 3.051 1.645 ( 0.641 -2.260 -1.009) 2.557 1.645 ( 0.641 2.260 -1.009) 2.557 1.708 ( 2.097 -3.702 -4.653) 6.305 1.708 ( 2.097 3.702 -4.653) 6.305 1.941 ( 0.096 -1.565 0.861) 1.789 1.941 ( 0.096 1.565 0.861) 1.789 1.965 ( 0.257 -0.617 1.323) 1.482 1.965 ( 0.257 0.617 1.323) 1.482 2.071 ( -0.930 -1.994 4.990) 5.453 2.071 ( -0.930 1.994 4.990) 5.453 2.144 ( 0.652 -2.719 0.854) 2.923 2.144 ( 0.652 2.719 0.854) 2.923 2.256 ( 1.331 -3.034 -1.688) 3.718 2.256 ( 1.331 3.034 -1.688) 3.718 2.308 ( -1.231 -2.870 -1.136) 3.323 2.308 ( -1.231 2.870 -1.136) 3.323 2.386 ( 0.885 -2.381 1.245) 2.829 2.386 ( 0.885 2.381 1.245) 2.829 2.456 ( 2.599 -3.171 0.721) 4.163 2.456 ( 2.599 3.171 0.721) 4.163 2.652 ( 0.725 -0.245 -1.950) 2.095 2.652 ( 0.725 0.245 -1.950) 2.095 2.712 ( -0.870 -0.236 1.837) 2.046 2.712 ( -0.870 0.236 1.837) 2.046 3.760 ( -0.966 -2.192 1.313) 2.731 3.760 ( -0.966 2.192 1.313) 2.731 3.780 ( 0.662 -2.187 -1.700) 2.848 3.780 ( 0.662 2.187 -1.700) 2.848 4.061 ( -0.181 -2.666 -0.273) 2.686 4.061 ( -0.181 2.666 -0.273) 2.686 4.110 ( -0.114 -2.507 -0.150) 2.514 4.110 ( -0.114 2.507 -0.150) 2.514 4.536 ( 0.192 -1.678 -0.370) 1.729 4.536 ( 0.192 1.678 -0.370) 1.729 4.598 ( -0.447 -1.209 0.039) 1.289 4.598 ( -0.447 1.209 0.039) 1.289 4.722 ( 0.014 -1.033 -1.984) 2.237 4.722 ( 0.014 1.033 -1.984) 2.237 4.745 ( -0.256 -1.741 3.007) 3.484 4.745 ( -0.256 1.741 3.007) 3.484 5.634 ( -1.802 -1.415 2.253) 3.213 5.634 ( -1.802 1.415 2.253) 3.213 5.691 ( 0.185 -1.268 0.241) 1.304 5.691 ( 0.185 1.268 0.241) 1.304 5.762 ( -0.303 -0.489 -0.722) 0.923 5.762 ( -0.303 0.489 -0.722) 0.923 5.826 ( -1.298 -1.996 -1.429) 2.776 5.826 ( -1.298 1.996 -1.429) 2.776 6.059 ( -0.061 -2.391 3.687) 4.395 6.059 ( -0.061 2.391 3.687) 4.395 6.174 ( -0.154 -1.701 -3.235) 3.658 6.174 ( -0.154 1.701 -3.235) 3.658 ======================= Grid point 127 (65/66) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -3.538 -1.322 -3.270) 4.996 0.716 ( -3.538 1.322 -3.270) 4.996 0.811 ( -0.348 -1.010 0.028) 1.069 0.811 ( -0.348 1.010 0.028) 1.069 0.832 ( -2.011 -1.643 -3.340) 4.231 0.832 ( -2.011 1.643 -3.340) 4.231 0.937 ( -1.107 -2.587 -4.615) 5.405 0.937 ( -1.107 2.587 -4.615) 5.405 1.093 ( 0.783 -0.897 -1.475) 1.895 1.093 ( 0.783 0.897 -1.475) 1.895 1.161 ( 0.167 -1.328 -0.476) 1.421 1.161 ( 0.167 1.328 -0.476) 1.421 1.226 ( -1.553 -1.024 0.905) 2.068 1.226 ( -1.553 1.024 0.905) 2.068 1.311 ( -4.847 -2.399 0.712) 5.455 1.311 ( -4.847 2.399 0.712) 5.455 1.517 ( 2.597 -4.799 -1.337) 5.618 1.517 ( 2.597 4.799 -1.337) 5.618 1.555 ( 0.068 -1.237 0.619) 1.385 1.555 ( 0.068 1.237 0.619) 1.385 1.657 ( 0.899 -2.765 1.633) 3.335 1.657 ( 0.899 2.765 1.633) 3.335 1.723 ( 1.908 -4.596 -5.151) 7.162 1.723 ( 1.908 4.596 -5.151) 7.162 1.937 ( 0.600 -1.292 0.109) 1.428 1.937 ( 0.600 1.292 0.109) 1.428 1.999 ( 0.886 -3.040 4.873) 5.811 1.999 ( 0.886 3.040 4.873) 5.811 2.091 ( -0.253 -2.263 0.938) 2.463 2.091 ( -0.253 2.263 0.938) 2.463 2.133 ( -1.566 -2.736 1.213) 3.378 2.133 ( -1.566 2.736 1.213) 3.378 2.274 ( 1.014 -2.649 -0.977) 3.000 2.274 ( 1.014 2.649 -0.977) 3.000 2.310 ( 1.760 -3.178 0.468) 3.662 2.310 ( 1.760 3.178 0.468) 3.662 2.414 ( 1.579 -2.034 0.710) 2.671 2.414 ( 1.579 2.034 0.710) 2.671 2.495 ( 0.938 -4.943 0.612) 5.068 2.495 ( 0.938 4.943 0.612) 5.068 2.655 ( 0.870 -0.548 -2.439) 2.647 2.655 ( 0.870 0.548 -2.439) 2.647 2.705 ( -1.095 -0.216 2.494) 2.733 2.705 ( -1.095 0.216 2.494) 2.733 3.753 ( -0.441 -2.345 1.051) 2.607 3.753 ( -0.441 2.345 1.051) 2.607 3.778 ( 0.077 -2.327 -1.630) 2.842 3.778 ( 0.077 2.327 -1.630) 2.842 4.055 ( -0.231 -3.472 -0.417) 3.504 4.055 ( -0.231 3.472 -0.417) 3.504 4.106 ( -0.228 -3.243 -0.118) 3.253 4.106 ( -0.228 3.243 -0.118) 3.253 4.540 ( 0.462 -2.838 -0.564) 2.930 4.540 ( 0.462 2.838 -0.564) 2.930 4.587 ( -0.764 -2.274 0.121) 2.402 4.587 ( -0.764 2.274 0.121) 2.402 4.712 ( -0.221 -0.572 -0.999) 1.173 4.712 ( -0.221 0.572 -0.999) 1.173 4.757 ( -0.093 -1.428 2.304) 2.712 4.757 ( -0.093 1.428 2.304) 2.712 5.611 ( -2.317 -2.192 4.028) 5.138 5.611 ( -2.317 2.192 4.028) 5.138 5.689 ( -0.574 -1.447 -0.607) 1.671 5.689 ( -0.574 1.447 -0.607) 1.671 5.753 ( 0.485 -3.707 -2.719) 4.623 5.753 ( 0.485 3.707 -2.719) 4.623 5.787 ( -1.967 -4.684 -0.383) 5.095 5.787 ( -1.967 4.684 -0.383) 5.095 6.084 ( -0.379 -3.880 6.194) 7.319 6.084 ( -0.379 3.880 6.194) 7.319 6.151 ( 0.483 -3.278 -5.585) 6.494 6.151 ( 0.483 3.278 -5.585) 6.494 ======================= Grid point 129 (66/66) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -1.727 -0.786 -3.031) 3.576 0.643 ( -1.727 0.786 -3.031) 3.576 0.768 ( -1.095 -0.637 -1.590) 2.033 0.768 ( -1.095 0.637 -1.590) 2.033 0.846 ( 0.997 -2.004 2.396) 3.279 0.846 ( 0.997 2.004 2.396) 3.279 0.895 ( -0.850 -1.845 -3.383) 3.946 0.895 ( -0.850 1.845 -3.383) 3.946 1.123 ( 3.225 -1.009 -0.820) 3.477 1.123 ( 3.225 1.009 -0.820) 3.477 1.168 ( 0.620 -1.497 -0.506) 1.698 1.168 ( 0.620 1.497 -0.506) 1.698 1.199 ( -2.508 -1.513 1.724) 3.399 1.199 ( -2.508 1.513 1.724) 3.399 1.214 ( -4.435 -2.918 -0.065) 5.309 1.214 ( -4.435 2.918 -0.065) 5.309 1.550 ( 1.390 -2.578 -1.262) 3.189 1.550 ( 1.390 2.578 -1.262) 3.189 1.557 ( 0.055 -0.703 0.069) 0.709 1.557 ( 0.055 0.703 0.069) 0.709 1.689 ( 0.816 -3.070 3.170) 4.488 1.689 ( 0.816 3.070 3.170) 4.488 1.716 ( 0.122 -3.862 -3.936) 5.515 1.716 ( 0.122 3.862 -3.936) 5.515 1.975 ( 2.947 -2.778 0.435) 4.074 1.975 ( 2.947 2.778 0.435) 4.074 2.027 ( -1.335 -1.058 1.729) 2.427 2.027 ( -1.335 1.058 1.729) 2.427 2.065 ( -1.144 -0.973 1.223) 1.937 2.065 ( -1.144 0.973 1.223) 1.937 2.115 ( -0.580 -1.874 -1.234) 2.317 2.115 ( -0.580 1.874 -1.234) 2.317 2.291 ( 0.829 -0.617 -0.020) 1.033 2.291 ( 0.829 0.617 -0.020) 1.033 2.342 ( 0.775 -1.239 0.737) 1.636 2.342 ( 0.775 1.239 0.737) 1.636 2.454 ( 2.431 -4.130 0.032) 4.792 2.454 ( 2.431 4.130 0.032) 4.792 2.493 ( -1.453 -5.366 0.289) 5.566 2.493 ( -1.453 5.366 0.289) 5.566 2.656 ( 0.317 -0.341 -1.025) 1.125 2.656 ( 0.317 0.341 -1.025) 1.125 2.701 ( -0.434 -0.059 1.125) 1.207 2.701 ( -0.434 0.059 1.125) 1.207 3.756 ( 0.057 -2.211 0.956) 2.410 3.756 ( 0.057 2.211 0.956) 2.410 3.768 ( -0.214 -2.204 -1.250) 2.543 3.768 ( -0.214 2.204 -1.250) 2.543 4.050 ( -0.104 -1.618 -0.220) 1.636 4.050 ( -0.104 1.618 -0.220) 1.636 4.102 ( -0.138 -1.505 -0.023) 1.511 4.102 ( -0.138 1.505 -0.023) 1.511 4.547 ( 0.537 -2.338 -0.379) 2.428 4.547 ( 0.537 2.338 -0.379) 2.428 4.573 ( -0.669 -2.090 0.170) 2.201 4.573 ( -0.669 2.090 0.170) 2.201 4.705 ( -0.141 -0.195 -0.273) 0.364 4.705 ( -0.141 0.195 -0.273) 0.364 4.765 ( 0.000 -0.555 0.864) 1.027 4.765 ( 0.000 0.555 0.864) 1.027 5.600 ( -0.995 -1.456 3.025) 3.501 5.600 ( -0.995 1.456 3.025) 3.501 5.664 ( -0.733 -1.015 -2.011) 2.369 5.664 ( -0.733 1.015 -2.011) 2.369 5.750 ( 0.753 -4.742 -2.822) 5.569 5.750 ( 0.753 4.742 -2.822) 5.569 5.763 ( -1.082 -4.960 1.912) 5.424 5.763 ( -1.082 4.960 1.912) 5.424 6.108 ( -0.772 -3.909 6.230) 7.395 6.108 ( -0.772 3.909 6.230) 7.395 6.133 ( 0.934 -3.703 -5.941) 7.062 6.133 ( 0.934 3.703 -5.941) 7.062 =================== 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 3/12096 10.0 11.762 14.189 20.930 0.000 -2.230 0.000 3/12096 20.0 2.936 4.055 5.527 0.000 -0.561 0.000 3/12096 30.0 1.545 2.214 2.969 0.000 -0.306 0.000 3/12096 40.0 1.052 1.537 2.054 0.000 -0.218 0.000 3/12096 50.0 0.804 1.198 1.596 0.000 -0.175 0.000 3/12096 60.0 0.655 0.997 1.322 0.000 -0.149 0.000 3/12096 70.0 0.555 0.864 1.138 0.000 -0.132 0.000 3/12096 80.0 0.483 0.767 1.004 0.000 -0.119 0.000 3/12096 90.0 0.428 0.694 0.901 0.000 -0.109 0.000 3/12096 100.0 0.385 0.634 0.819 0.000 -0.101 0.000 3/12096 110.0 0.350 0.585 0.751 0.000 -0.094 0.000 3/12096 120.0 0.321 0.544 0.694 0.000 -0.088 0.000 3/12096 130.0 0.297 0.508 0.645 0.000 -0.082 0.000 3/12096 140.0 0.276 0.477 0.603 0.000 -0.077 0.000 3/12096 150.0 0.258 0.449 0.566 0.000 -0.073 0.000 3/12096 160.0 0.242 0.424 0.533 0.000 -0.069 0.000 3/12096 170.0 0.228 0.402 0.504 0.000 -0.066 0.000 3/12096 180.0 0.215 0.382 0.478 0.000 -0.063 0.000 3/12096 190.0 0.204 0.364 0.454 0.000 -0.060 0.000 3/12096 200.0 0.194 0.348 0.433 0.000 -0.057 0.000 3/12096 210.0 0.185 0.333 0.413 0.000 -0.055 0.000 3/12096 220.0 0.177 0.319 0.396 0.000 -0.052 0.000 3/12096 230.0 0.169 0.307 0.379 0.000 -0.050 0.000 3/12096 240.0 0.162 0.295 0.364 0.000 -0.048 0.000 3/12096 250.0 0.156 0.284 0.350 0.000 -0.047 0.000 3/12096 260.0 0.150 0.274 0.337 0.000 -0.045 0.000 3/12096 270.0 0.144 0.264 0.325 0.000 -0.044 0.000 3/12096 280.0 0.139 0.255 0.314 0.000 -0.042 0.000 3/12096 290.0 0.134 0.247 0.304 0.000 -0.041 0.000 3/12096 300.0 0.130 0.239 0.294 0.000 -0.039 0.000 3/12096 310.0 0.126 0.232 0.285 0.000 -0.038 0.000 3/12096 320.0 0.122 0.225 0.276 0.000 -0.037 0.000 3/12096 330.0 0.118 0.219 0.268 0.000 -0.036 0.000 3/12096 340.0 0.115 0.213 0.260 0.000 -0.035 0.000 3/12096 350.0 0.112 0.207 0.253 0.000 -0.034 0.000 3/12096 360.0 0.109 0.202 0.246 0.000 -0.033 0.000 3/12096 370.0 0.106 0.196 0.240 0.000 -0.032 0.000 3/12096 380.0 0.103 0.191 0.234 0.000 -0.032 0.000 3/12096 390.0 0.100 0.187 0.228 0.000 -0.031 0.000 3/12096 400.0 0.098 0.182 0.222 0.000 -0.030 0.000 3/12096 410.0 0.095 0.178 0.217 0.000 -0.029 0.000 3/12096 420.0 0.093 0.174 0.212 0.000 -0.029 0.000 3/12096 430.0 0.091 0.170 0.207 0.000 -0.028 0.000 3/12096 440.0 0.089 0.166 0.203 0.000 -0.027 0.000 3/12096 450.0 0.087 0.163 0.198 0.000 -0.027 0.000 3/12096 460.0 0.085 0.159 0.194 0.000 -0.026 0.000 3/12096 470.0 0.083 0.156 0.190 0.000 -0.026 0.000 3/12096 480.0 0.082 0.153 0.186 0.000 -0.025 0.000 3/12096 490.0 0.080 0.150 0.182 0.000 -0.025 0.000 3/12096 500.0 0.078 0.147 0.179 0.000 -0.024 0.000 3/12096 510.0 0.077 0.144 0.175 0.000 -0.024 0.000 3/12096 520.0 0.075 0.141 0.172 0.000 -0.023 0.000 3/12096 530.0 0.074 0.139 0.169 0.000 -0.023 0.000 3/12096 540.0 0.073 0.136 0.166 0.000 -0.022 0.000 3/12096 550.0 0.071 0.134 0.163 0.000 -0.022 0.000 3/12096 560.0 0.070 0.132 0.160 0.000 -0.022 0.000 3/12096 570.0 0.069 0.129 0.157 0.000 -0.021 0.000 3/12096 580.0 0.068 0.127 0.154 0.000 -0.021 0.000 3/12096 590.0 0.066 0.125 0.152 0.000 -0.021 0.000 3/12096 600.0 0.065 0.123 0.149 0.000 -0.020 0.000 3/12096 610.0 0.064 0.121 0.147 0.000 -0.020 0.000 3/12096 620.0 0.063 0.119 0.145 0.000 -0.020 0.000 3/12096 630.0 0.062 0.117 0.142 0.000 -0.019 0.000 3/12096 640.0 0.061 0.116 0.140 0.000 -0.019 0.000 3/12096 650.0 0.060 0.114 0.138 0.000 -0.019 0.000 3/12096 660.0 0.059 0.112 0.136 0.000 -0.018 0.000 3/12096 670.0 0.059 0.110 0.134 0.000 -0.018 0.000 3/12096 680.0 0.058 0.109 0.132 0.000 -0.018 0.000 3/12096 690.0 0.057 0.107 0.130 0.000 -0.018 0.000 3/12096 700.0 0.056 0.106 0.128 0.000 -0.017 0.000 3/12096 710.0 0.055 0.104 0.126 0.000 -0.017 0.000 3/12096 720.0 0.055 0.103 0.125 0.000 -0.017 0.000 3/12096 730.0 0.054 0.102 0.123 0.000 -0.017 0.000 3/12096 740.0 0.053 0.100 0.121 0.000 -0.017 0.000 3/12096 750.0 0.052 0.099 0.120 0.000 -0.016 0.000 3/12096 760.0 0.052 0.098 0.118 0.000 -0.016 0.000 3/12096 770.0 0.051 0.096 0.117 0.000 -0.016 0.000 3/12096 780.0 0.050 0.095 0.115 0.000 -0.016 0.000 3/12096 790.0 0.050 0.094 0.114 0.000 -0.016 0.000 3/12096 800.0 0.049 0.093 0.112 0.000 -0.015 0.000 3/12096 810.0 0.048 0.092 0.111 0.000 -0.015 0.000 3/12096 820.0 0.048 0.091 0.110 0.000 -0.015 0.000 3/12096 830.0 0.047 0.090 0.108 0.000 -0.015 0.000 3/12096 840.0 0.047 0.088 0.107 0.000 -0.015 0.000 3/12096 850.0 0.046 0.087 0.106 0.000 -0.014 0.000 3/12096 860.0 0.046 0.086 0.105 0.000 -0.014 0.000 3/12096 870.0 0.045 0.085 0.103 0.000 -0.014 0.000 3/12096 880.0 0.045 0.085 0.102 0.000 -0.014 0.000 3/12096 890.0 0.044 0.084 0.101 0.000 -0.014 0.000 3/12096 900.0 0.044 0.083 0.100 0.000 -0.014 0.000 3/12096 910.0 0.043 0.082 0.099 0.000 -0.013 0.000 3/12096 920.0 0.043 0.081 0.098 0.000 -0.013 0.000 3/12096 930.0 0.042 0.080 0.097 0.000 -0.013 0.000 3/12096 940.0 0.042 0.079 0.096 0.000 -0.013 0.000 3/12096 950.0 0.041 0.078 0.095 0.000 -0.013 0.000 3/12096 960.0 0.041 0.078 0.094 0.000 -0.013 0.000 3/12096 970.0 0.041 0.077 0.093 0.000 -0.013 0.000 3/12096 980.0 0.040 0.076 0.092 0.000 -0.013 0.000 3/12096 990.0 0.040 0.075 0.091 0.000 -0.012 0.000 3/12096 1000.0 0.039 0.075 0.090 0.000 -0.012 0.000 3/12096 Thermal conductivity related properties were written into "kappa-m746.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:34:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|