----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:46:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.672412260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.442811770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.034186770000000 Atomic positions (fractional): *1 Ge 0.30979000553236 0.94815857426013 0.34946128474258 72.640 2 Ge 0.69020999446764 0.44815857426013 0.65053871525742 72.640 3 Ge 0.80979000553236 0.55184142573987 0.15053871525742 72.640 4 Ge 0.19020999446764 0.05184142573987 0.84946128474258 72.640 5 Ge 0.69020999446764 0.05184142573987 0.65053871525742 72.640 6 Ge 0.30979000553236 0.55184142573987 0.34946128474258 72.640 7 Ge 0.19020999446764 0.44815857426013 0.84946128474258 72.640 8 Ge 0.80979000553236 0.94815857426013 0.15053871525742 72.640 *9 Ge 0.56380671501345 0.75000000000000 0.09439017415397 72.640 10 Ge 0.43619328498655 0.25000000000000 0.90560982584603 72.640 11 Ge 0.06380671501345 0.75000000000000 0.40560982584603 72.640 12 Ge 0.93619328498655 0.25000000000000 0.59439017415397 72.640 *13 Ge 0.80485675686164 0.75000000000000 0.95100054509824 72.640 14 Ge 0.19514324313836 0.25000000000000 0.04899945490176 72.640 15 Ge 0.30485675686164 0.75000000000000 0.54899945490176 72.640 16 Ge 0.69514324313836 0.25000000000000 0.45100054509824 72.640 *17 Sr 0.34654791698499 0.25000000000000 0.59434022130125 87.620 18 Sr 0.65345208301501 0.75000000000000 0.40565977869875 87.620 19 Sr 0.84654791698499 0.25000000000000 0.90565977869875 87.620 20 Sr 0.15345208301501 0.75000000000000 0.09434022130125 87.620 *21 Sr 0.51607480383105 0.25000000000000 0.19166307620701 87.620 22 Sr 0.48392519616895 0.75000000000000 0.80833692379300 87.620 23 Sr 0.01607480383105 0.25000000000000 0.30833692379299 87.620 24 Sr 0.98392519616895 0.75000000000000 0.69166307620700 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.672412260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.442811770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.034186770000000 Atomic positions (fractional): *1 Ge 0.30979000553236 0.94815857426013 0.34946128474258 72.640 > 1 2 Ge 0.69020999446764 0.44815857426013 0.65053871525742 72.640 > 2 3 Ge 0.80979000553236 0.55184142573987 0.15053871525742 72.640 > 3 4 Ge 0.19020999446764 0.05184142573987 0.84946128474258 72.640 > 4 5 Ge 0.69020999446764 0.05184142573987 0.65053871525742 72.640 > 5 6 Ge 0.30979000553236 0.55184142573987 0.34946128474258 72.640 > 6 7 Ge 0.19020999446764 0.44815857426013 0.84946128474258 72.640 > 7 8 Ge 0.80979000553236 0.94815857426013 0.15053871525742 72.640 > 8 *9 Ge 0.56380671501345 0.75000000000000 0.09439017415397 72.640 > 9 10 Ge 0.43619328498655 0.25000000000000 0.90560982584603 72.640 > 10 11 Ge 0.06380671501345 0.75000000000000 0.40560982584603 72.640 > 11 12 Ge 0.93619328498655 0.25000000000000 0.59439017415397 72.640 > 12 *13 Ge 0.80485675686164 0.75000000000000 0.95100054509824 72.640 > 13 14 Ge 0.19514324313836 0.25000000000000 0.04899945490176 72.640 > 14 15 Ge 0.30485675686164 0.75000000000000 0.54899945490176 72.640 > 15 16 Ge 0.69514324313836 0.25000000000000 0.45100054509824 72.640 > 16 *17 Sr 0.34654791698499 0.25000000000000 0.59434022130125 87.620 > 17 18 Sr 0.65345208301501 0.75000000000000 0.40565977869875 87.620 > 18 19 Sr 0.84654791698499 0.25000000000000 0.90565977869875 87.620 > 19 20 Sr 0.15345208301501 0.75000000000000 0.09434022130125 87.620 > 20 *21 Sr 0.51607480383105 0.25000000000000 0.19166307620701 87.620 > 21 22 Sr 0.48392519616895 0.75000000000000 0.80833692379300 87.620 > 22 23 Sr 0.01607480383105 0.25000000000000 0.30833692379299 87.620 > 23 24 Sr 0.98392519616895 0.75000000000000 0.69166307620700 87.620 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.344824520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.885623539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.034186770000000 Atomic positions (fractional): *1 Ge 0.15489500276618 0.47407928713006 0.34946128474258 72.640 > 1 2 Ge 0.65489500276618 0.47407928713006 0.34946128474258 72.640 > 1 3 Ge 0.15489500276618 0.97407928713006 0.34946128474258 72.640 > 1 4 Ge 0.65489500276618 0.97407928713006 0.34946128474258 72.640 > 1 5 Ge 0.34510499723382 0.22407928713006 0.65053871525742 72.640 > 2 6 Ge 0.84510499723382 0.22407928713006 0.65053871525742 72.640 > 2 7 Ge 0.34510499723382 0.72407928713006 0.65053871525742 72.640 > 2 8 Ge 0.84510499723382 0.72407928713006 0.65053871525742 72.640 > 2 9 Ge 0.40489500276618 0.27592071286994 0.15053871525742 72.640 > 3 10 Ge 0.90489500276618 0.27592071286994 0.15053871525742 72.640 > 3 11 Ge 0.40489500276618 0.77592071286994 0.15053871525742 72.640 > 3 12 Ge 0.90489500276618 0.77592071286994 0.15053871525742 72.640 > 3 13 Ge 0.09510499723382 0.02592071286994 0.84946128474258 72.640 > 4 14 Ge 0.59510499723382 0.02592071286994 0.84946128474258 72.640 > 4 15 Ge 0.09510499723382 0.52592071286994 0.84946128474258 72.640 > 4 16 Ge 0.59510499723382 0.52592071286994 0.84946128474258 72.640 > 4 17 Ge 0.34510499723382 0.02592071286994 0.65053871525742 72.640 > 5 18 Ge 0.84510499723382 0.02592071286994 0.65053871525742 72.640 > 5 19 Ge 0.34510499723382 0.52592071286994 0.65053871525742 72.640 > 5 20 Ge 0.84510499723382 0.52592071286994 0.65053871525742 72.640 > 5 21 Ge 0.15489500276618 0.27592071286994 0.34946128474258 72.640 > 6 22 Ge 0.65489500276618 0.27592071286994 0.34946128474258 72.640 > 6 23 Ge 0.15489500276618 0.77592071286994 0.34946128474258 72.640 > 6 24 Ge 0.65489500276618 0.77592071286994 0.34946128474258 72.640 > 6 25 Ge 0.09510499723382 0.22407928713006 0.84946128474258 72.640 > 7 26 Ge 0.59510499723382 0.22407928713006 0.84946128474258 72.640 > 7 27 Ge 0.09510499723382 0.72407928713006 0.84946128474258 72.640 > 7 28 Ge 0.59510499723382 0.72407928713006 0.84946128474258 72.640 > 7 29 Ge 0.40489500276618 0.47407928713006 0.15053871525742 72.640 > 8 30 Ge 0.90489500276618 0.47407928713006 0.15053871525742 72.640 > 8 31 Ge 0.40489500276618 0.97407928713006 0.15053871525742 72.640 > 8 32 Ge 0.90489500276618 0.97407928713006 0.15053871525742 72.640 > 8 *33 Ge 0.28190335750672 0.37500000000000 0.09439017415397 72.640 > 9 34 Ge 0.78190335750672 0.37500000000000 0.09439017415397 72.640 > 9 35 Ge 0.28190335750672 0.87500000000000 0.09439017415397 72.640 > 9 36 Ge 0.78190335750672 0.87500000000000 0.09439017415397 72.640 > 9 37 Ge 0.21809664249328 0.12500000000000 0.90560982584603 72.640 > 10 38 Ge 0.71809664249328 0.12500000000000 0.90560982584603 72.640 > 10 39 Ge 0.21809664249328 0.62500000000000 0.90560982584603 72.640 > 10 40 Ge 0.71809664249328 0.62500000000000 0.90560982584603 72.640 > 10 41 Ge 0.03190335750672 0.37500000000000 0.40560982584603 72.640 > 11 42 Ge 0.53190335750672 0.37500000000000 0.40560982584603 72.640 > 11 43 Ge 0.03190335750672 0.87500000000000 0.40560982584603 72.640 > 11 44 Ge 0.53190335750672 0.87500000000000 0.40560982584603 72.640 > 11 45 Ge 0.46809664249328 0.12500000000000 0.59439017415397 72.640 > 12 46 Ge 0.96809664249328 0.12500000000000 0.59439017415397 72.640 > 12 47 Ge 0.46809664249328 0.62500000000000 0.59439017415397 72.640 > 12 48 Ge 0.96809664249328 0.62500000000000 0.59439017415397 72.640 > 12 *49 Ge 0.40242837843082 0.37500000000000 0.95100054509824 72.640 > 13 50 Ge 0.90242837843082 0.37500000000000 0.95100054509824 72.640 > 13 51 Ge 0.40242837843082 0.87500000000000 0.95100054509824 72.640 > 13 52 Ge 0.90242837843082 0.87500000000000 0.95100054509824 72.640 > 13 53 Ge 0.09757162156918 0.12500000000000 0.04899945490176 72.640 > 14 54 Ge 0.59757162156918 0.12500000000000 0.04899945490176 72.640 > 14 55 Ge 0.09757162156918 0.62500000000000 0.04899945490176 72.640 > 14 56 Ge 0.59757162156918 0.62500000000000 0.04899945490176 72.640 > 14 57 Ge 0.15242837843082 0.37500000000000 0.54899945490176 72.640 > 15 58 Ge 0.65242837843082 0.37500000000000 0.54899945490176 72.640 > 15 59 Ge 0.15242837843082 0.87500000000000 0.54899945490176 72.640 > 15 60 Ge 0.65242837843082 0.87500000000000 0.54899945490176 72.640 > 15 61 Ge 0.34757162156918 0.12500000000000 0.45100054509824 72.640 > 16 62 Ge 0.84757162156918 0.12500000000000 0.45100054509824 72.640 > 16 63 Ge 0.34757162156918 0.62500000000000 0.45100054509824 72.640 > 16 64 Ge 0.84757162156918 0.62500000000000 0.45100054509824 72.640 > 16 *65 Sr 0.17327395849249 0.12500000000000 0.59434022130125 87.620 > 17 66 Sr 0.67327395849249 0.12500000000000 0.59434022130125 87.620 > 17 67 Sr 0.17327395849249 0.62500000000000 0.59434022130125 87.620 > 17 68 Sr 0.67327395849249 0.62500000000000 0.59434022130125 87.620 > 17 69 Sr 0.32672604150751 0.37500000000000 0.40565977869875 87.620 > 18 70 Sr 0.82672604150751 0.37500000000000 0.40565977869875 87.620 > 18 71 Sr 0.32672604150751 0.87500000000000 0.40565977869875 87.620 > 18 72 Sr 0.82672604150751 0.87500000000000 0.40565977869875 87.620 > 18 73 Sr 0.42327395849249 0.12500000000000 0.90565977869875 87.620 > 19 74 Sr 0.92327395849249 0.12500000000000 0.90565977869875 87.620 > 19 75 Sr 0.42327395849249 0.62500000000000 0.90565977869875 87.620 > 19 76 Sr 0.92327395849249 0.62500000000000 0.90565977869875 87.620 > 19 77 Sr 0.07672604150751 0.37500000000000 0.09434022130125 87.620 > 20 78 Sr 0.57672604150751 0.37500000000000 0.09434022130125 87.620 > 20 79 Sr 0.07672604150751 0.87500000000000 0.09434022130125 87.620 > 20 80 Sr 0.57672604150751 0.87500000000000 0.09434022130125 87.620 > 20 *81 Sr 0.25803740191552 0.12500000000000 0.19166307620701 87.620 > 21 82 Sr 0.75803740191552 0.12500000000000 0.19166307620701 87.620 > 21 83 Sr 0.25803740191552 0.62500000000000 0.19166307620701 87.620 > 21 84 Sr 0.75803740191552 0.62500000000000 0.19166307620701 87.620 > 21 85 Sr 0.24196259808448 0.37500000000000 0.80833692379300 87.620 > 22 86 Sr 0.74196259808448 0.37500000000000 0.80833692379300 87.620 > 22 87 Sr 0.24196259808448 0.87500000000000 0.80833692379300 87.620 > 22 88 Sr 0.74196259808448 0.87500000000000 0.80833692379300 87.620 > 22 89 Sr 0.00803740191552 0.12500000000000 0.30833692379299 87.620 > 23 90 Sr 0.50803740191552 0.12500000000000 0.30833692379299 87.620 > 23 91 Sr 0.00803740191552 0.62500000000000 0.30833692379299 87.620 > 23 92 Sr 0.50803740191552 0.62500000000000 0.30833692379299 87.620 > 23 93 Sr 0.49196259808448 0.37500000000000 0.69166307620700 87.620 > 24 94 Sr 0.99196259808448 0.37500000000000 0.69166307620700 87.620 > 24 95 Sr 0.49196259808448 0.87500000000000 0.69166307620700 87.620 > 24 96 Sr 0.99196259808448 0.87500000000000 0.69166307620700 87.620 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 31.3602105 0.0000000 0.0000000 0.0000000 14.7321668 0.0000000 0.0000000 0.0000000 21.6631069 -------------------------- Born effective charges -------------------------- 1 Ge -0.9970872 -0.6177037 0.0107085 0.1528691 -0.8812275 0.3847461 0.2487813 0.3069857 -1.1460531 2 Ge -0.9970872 0.6177037 0.0107085 -0.1528691 -0.8812275 -0.3847461 0.2487813 -0.3069857 -1.1460531 3 Ge -0.9970872 0.6177037 -0.0107085 -0.1528691 -0.8812275 0.3847461 -0.2487813 0.3069857 -1.1460531 4 Ge -0.9970872 -0.6177037 -0.0107085 0.1528691 -0.8812275 -0.3847461 -0.2487813 -0.3069857 -1.1460531 5 Ge -0.9970872 -0.6177037 0.0107085 0.1528691 -0.8812275 0.3847461 0.2487813 0.3069857 -1.1460531 6 Ge -0.9970872 0.6177037 0.0107085 -0.1528691 -0.8812275 -0.3847461 0.2487813 -0.3069857 -1.1460531 7 Ge -0.9970872 0.6177037 -0.0107085 -0.1528691 -0.8812275 0.3847461 -0.2487813 0.3069857 -1.1460531 8 Ge -0.9970872 -0.6177037 -0.0107085 0.1528691 -0.8812275 -0.3847461 -0.2487813 -0.3069857 -1.1460531 9 Ge -1.9476511 0.0000000 -1.1382538 0.0000000 -1.2587925 0.0000000 -0.4322639 0.0000000 -0.2370515 10 Ge -1.9476511 0.0000000 -1.1382538 0.0000000 -1.2587925 0.0000000 -0.4322639 0.0000000 -0.2370515 11 Ge -1.9476511 0.0000000 1.1382538 0.0000000 -1.2587925 0.0000000 0.4322639 0.0000000 -0.2370515 12 Ge -1.9476511 0.0000000 1.1382538 0.0000000 -1.2587925 0.0000000 0.4322639 0.0000000 -0.2370515 13 Ge -2.3288587 0.0000000 0.7280163 0.0000000 -1.4417607 0.0000000 1.2161291 0.0000000 -2.8455198 14 Ge -2.3288587 0.0000000 0.7280163 0.0000000 -1.4417607 0.0000000 1.2161291 0.0000000 -2.8455198 15 Ge -2.3288587 0.0000000 -0.7280163 0.0000000 -1.4417607 0.0000000 -1.2161291 0.0000000 -2.8455198 16 Ge -2.3288587 0.0000000 -0.7280163 0.0000000 -1.4417607 0.0000000 -1.2161291 0.0000000 -2.8455198 17 Sr 3.3575249 0.0000000 -1.0469664 0.0000000 1.7888850 0.0000000 0.2378385 0.0000000 2.1077346 18 Sr 3.3575249 0.0000000 -1.0469664 0.0000000 1.7888850 0.0000000 0.2378385 0.0000000 2.1077346 19 Sr 3.3575249 0.0000000 1.0469664 0.0000000 1.7888850 0.0000000 -0.2378385 0.0000000 2.1077346 20 Sr 3.3575249 0.0000000 1.0469664 0.0000000 1.7888850 0.0000000 -0.2378385 0.0000000 2.1077346 21 Sr 2.9131594 0.0000000 0.3207457 0.0000000 2.6741233 0.0000000 0.2814087 0.0000000 3.2669429 22 Sr 2.9131594 0.0000000 0.3207457 0.0000000 2.6741233 0.0000000 0.2814087 0.0000000 3.2669429 23 Sr 2.9131594 0.0000000 -0.3207457 0.0000000 2.6741233 0.0000000 -0.2814087 0.0000000 3.2669429 24 Sr 2.9131594 0.0000000 -0.3207457 0.0000000 2.6741233 0.0000000 -0.2814087 0.0000000 3.2669429 ---------------------------------------------------------------------------- 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: 1400 Number of blocks in projector: 1400 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.534 Solver_block: 200 / 400 - Time: 1.524 Solver_block: 300 / 400 - Time: 1.534 Solver_block: 400 / 400 - Time: 1.534 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.157 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 1400 Number of blocks in projector: 1400 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:46:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:46:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.672412260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.442811770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.034186770000000 Atomic positions (fractional): 1 Ge 0.30979000553236 0.94815857426013 0.34946128474258 72.640 2 Ge 0.69020999446764 0.44815857426013 0.65053871525742 72.640 3 Ge 0.80979000553236 0.55184142573987 0.15053871525742 72.640 4 Ge 0.19020999446764 0.05184142573987 0.84946128474258 72.640 5 Ge 0.69020999446764 0.05184142573987 0.65053871525742 72.640 6 Ge 0.30979000553236 0.55184142573987 0.34946128474258 72.640 7 Ge 0.19020999446764 0.44815857426013 0.84946128474258 72.640 8 Ge 0.80979000553236 0.94815857426013 0.15053871525742 72.640 9 Ge 0.56380671501345 0.75000000000000 0.09439017415397 72.640 10 Ge 0.43619328498655 0.25000000000000 0.90560982584603 72.640 11 Ge 0.06380671501345 0.75000000000000 0.40560982584603 72.640 12 Ge 0.93619328498655 0.25000000000000 0.59439017415397 72.640 13 Ge 0.80485675686164 0.75000000000000 0.95100054509824 72.640 14 Ge 0.19514324313836 0.25000000000000 0.04899945490176 72.640 15 Ge 0.30485675686164 0.75000000000000 0.54899945490176 72.640 16 Ge 0.69514324313836 0.25000000000000 0.45100054509824 72.640 17 Sr 0.34654791698499 0.25000000000000 0.59434022130125 87.620 18 Sr 0.65345208301501 0.75000000000000 0.40565977869875 87.620 19 Sr 0.84654791698499 0.25000000000000 0.90565977869875 87.620 20 Sr 0.15345208301501 0.75000000000000 0.09434022130125 87.620 21 Sr 0.51607480383105 0.25000000000000 0.19166307620701 87.620 22 Sr 0.48392519616895 0.75000000000000 0.80833692379300 87.620 23 Sr 0.01607480383105 0.25000000000000 0.30833692379299 87.620 24 Sr 0.98392519616895 0.75000000000000 0.69166307620700 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.344824520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.885623539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.034186770000000 Atomic positions (fractional): 1 Ge 0.15489500276618 0.47407928713006 0.34946128474258 72.640 > 1 2 Ge 0.65489500276618 0.47407928713006 0.34946128474258 72.640 > 1 3 Ge 0.15489500276618 0.97407928713006 0.34946128474258 72.640 > 1 4 Ge 0.65489500276618 0.97407928713006 0.34946128474258 72.640 > 1 5 Ge 0.34510499723382 0.22407928713006 0.65053871525742 72.640 > 5 6 Ge 0.84510499723382 0.22407928713006 0.65053871525742 72.640 > 5 7 Ge 0.34510499723382 0.72407928713006 0.65053871525742 72.640 > 5 8 Ge 0.84510499723382 0.72407928713006 0.65053871525742 72.640 > 5 9 Ge 0.40489500276618 0.27592071286994 0.15053871525742 72.640 > 9 10 Ge 0.90489500276618 0.27592071286994 0.15053871525742 72.640 > 9 11 Ge 0.40489500276618 0.77592071286994 0.15053871525742 72.640 > 9 12 Ge 0.90489500276618 0.77592071286994 0.15053871525742 72.640 > 9 13 Ge 0.09510499723382 0.02592071286994 0.84946128474258 72.640 > 13 14 Ge 0.59510499723382 0.02592071286994 0.84946128474258 72.640 > 13 15 Ge 0.09510499723382 0.52592071286994 0.84946128474258 72.640 > 13 16 Ge 0.59510499723382 0.52592071286994 0.84946128474258 72.640 > 13 17 Ge 0.34510499723382 0.02592071286994 0.65053871525742 72.640 > 17 18 Ge 0.84510499723382 0.02592071286994 0.65053871525742 72.640 > 17 19 Ge 0.34510499723382 0.52592071286994 0.65053871525742 72.640 > 17 20 Ge 0.84510499723382 0.52592071286994 0.65053871525742 72.640 > 17 21 Ge 0.15489500276618 0.27592071286994 0.34946128474258 72.640 > 21 22 Ge 0.65489500276618 0.27592071286994 0.34946128474258 72.640 > 21 23 Ge 0.15489500276618 0.77592071286994 0.34946128474258 72.640 > 21 24 Ge 0.65489500276618 0.77592071286994 0.34946128474258 72.640 > 21 25 Ge 0.09510499723382 0.22407928713006 0.84946128474258 72.640 > 25 26 Ge 0.59510499723382 0.22407928713006 0.84946128474258 72.640 > 25 27 Ge 0.09510499723382 0.72407928713006 0.84946128474258 72.640 > 25 28 Ge 0.59510499723382 0.72407928713006 0.84946128474258 72.640 > 25 29 Ge 0.40489500276618 0.47407928713006 0.15053871525742 72.640 > 29 30 Ge 0.90489500276618 0.47407928713006 0.15053871525742 72.640 > 29 31 Ge 0.40489500276618 0.97407928713006 0.15053871525742 72.640 > 29 32 Ge 0.90489500276618 0.97407928713006 0.15053871525742 72.640 > 29 33 Ge 0.28190335750672 0.37500000000000 0.09439017415397 72.640 > 33 34 Ge 0.78190335750672 0.37500000000000 0.09439017415397 72.640 > 33 35 Ge 0.28190335750672 0.87500000000000 0.09439017415397 72.640 > 33 36 Ge 0.78190335750672 0.87500000000000 0.09439017415397 72.640 > 33 37 Ge 0.21809664249328 0.12500000000000 0.90560982584603 72.640 > 37 38 Ge 0.71809664249328 0.12500000000000 0.90560982584603 72.640 > 37 39 Ge 0.21809664249328 0.62500000000000 0.90560982584603 72.640 > 37 40 Ge 0.71809664249328 0.62500000000000 0.90560982584603 72.640 > 37 41 Ge 0.03190335750672 0.37500000000000 0.40560982584603 72.640 > 41 42 Ge 0.53190335750672 0.37500000000000 0.40560982584603 72.640 > 41 43 Ge 0.03190335750672 0.87500000000000 0.40560982584603 72.640 > 41 44 Ge 0.53190335750672 0.87500000000000 0.40560982584603 72.640 > 41 45 Ge 0.46809664249328 0.12500000000000 0.59439017415397 72.640 > 45 46 Ge 0.96809664249328 0.12500000000000 0.59439017415397 72.640 > 45 47 Ge 0.46809664249328 0.62500000000000 0.59439017415397 72.640 > 45 48 Ge 0.96809664249328 0.62500000000000 0.59439017415397 72.640 > 45 49 Ge 0.40242837843082 0.37500000000000 0.95100054509824 72.640 > 49 50 Ge 0.90242837843082 0.37500000000000 0.95100054509824 72.640 > 49 51 Ge 0.40242837843082 0.87500000000000 0.95100054509824 72.640 > 49 52 Ge 0.90242837843082 0.87500000000000 0.95100054509824 72.640 > 49 53 Ge 0.09757162156918 0.12500000000000 0.04899945490176 72.640 > 53 54 Ge 0.59757162156918 0.12500000000000 0.04899945490176 72.640 > 53 55 Ge 0.09757162156918 0.62500000000000 0.04899945490176 72.640 > 53 56 Ge 0.59757162156918 0.62500000000000 0.04899945490176 72.640 > 53 57 Ge 0.15242837843082 0.37500000000000 0.54899945490176 72.640 > 57 58 Ge 0.65242837843082 0.37500000000000 0.54899945490176 72.640 > 57 59 Ge 0.15242837843082 0.87500000000000 0.54899945490176 72.640 > 57 60 Ge 0.65242837843082 0.87500000000000 0.54899945490176 72.640 > 57 61 Ge 0.34757162156918 0.12500000000000 0.45100054509824 72.640 > 61 62 Ge 0.84757162156918 0.12500000000000 0.45100054509824 72.640 > 61 63 Ge 0.34757162156918 0.62500000000000 0.45100054509824 72.640 > 61 64 Ge 0.84757162156918 0.62500000000000 0.45100054509824 72.640 > 61 65 Sr 0.17327395849249 0.12500000000000 0.59434022130125 87.620 > 65 66 Sr 0.67327395849249 0.12500000000000 0.59434022130125 87.620 > 65 67 Sr 0.17327395849249 0.62500000000000 0.59434022130125 87.620 > 65 68 Sr 0.67327395849249 0.62500000000000 0.59434022130125 87.620 > 65 69 Sr 0.32672604150751 0.37500000000000 0.40565977869875 87.620 > 69 70 Sr 0.82672604150751 0.37500000000000 0.40565977869875 87.620 > 69 71 Sr 0.32672604150751 0.87500000000000 0.40565977869875 87.620 > 69 72 Sr 0.82672604150751 0.87500000000000 0.40565977869875 87.620 > 69 73 Sr 0.42327395849249 0.12500000000000 0.90565977869875 87.620 > 73 74 Sr 0.92327395849249 0.12500000000000 0.90565977869875 87.620 > 73 75 Sr 0.42327395849249 0.62500000000000 0.90565977869875 87.620 > 73 76 Sr 0.92327395849249 0.62500000000000 0.90565977869875 87.620 > 73 77 Sr 0.07672604150751 0.37500000000000 0.09434022130125 87.620 > 77 78 Sr 0.57672604150751 0.37500000000000 0.09434022130125 87.620 > 77 79 Sr 0.07672604150751 0.87500000000000 0.09434022130125 87.620 > 77 80 Sr 0.57672604150751 0.87500000000000 0.09434022130125 87.620 > 77 81 Sr 0.25803740191552 0.12500000000000 0.19166307620701 87.620 > 81 82 Sr 0.75803740191552 0.12500000000000 0.19166307620701 87.620 > 81 83 Sr 0.25803740191552 0.62500000000000 0.19166307620701 87.620 > 81 84 Sr 0.75803740191552 0.62500000000000 0.19166307620701 87.620 > 81 85 Sr 0.24196259808448 0.37500000000000 0.80833692379300 87.620 > 85 86 Sr 0.74196259808448 0.37500000000000 0.80833692379300 87.620 > 85 87 Sr 0.24196259808448 0.87500000000000 0.80833692379300 87.620 > 85 88 Sr 0.74196259808448 0.87500000000000 0.80833692379300 87.620 > 85 89 Sr 0.00803740191552 0.12500000000000 0.30833692379299 87.620 > 89 90 Sr 0.50803740191552 0.12500000000000 0.30833692379299 87.620 > 89 91 Sr 0.00803740191552 0.62500000000000 0.30833692379299 87.620 > 89 92 Sr 0.50803740191552 0.62500000000000 0.30833692379299 87.620 > 89 93 Sr 0.49196259808448 0.37500000000000 0.69166307620700 87.620 > 93 94 Sr 0.99196259808448 0.37500000000000 0.69166307620700 87.620 > 93 95 Sr 0.49196259808448 0.87500000000000 0.69166307620700 87.620 > 93 96 Sr 0.99196259808448 0.87500000000000 0.69166307620700 87.620 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 31.3602105 0.0000000 0.0000000 0.0000000 14.7321668 0.0000000 0.0000000 0.0000000 21.6631069 -------------------------- Born effective charges -------------------------- 1 Ge -0.9970872 -0.6177037 0.0107085 0.1528691 -0.8812275 0.3847461 0.2487813 0.3069857 -1.1460531 2 Ge -0.9970872 0.6177037 0.0107085 -0.1528691 -0.8812275 -0.3847461 0.2487813 -0.3069857 -1.1460531 3 Ge -0.9970872 0.6177037 -0.0107085 -0.1528691 -0.8812275 0.3847461 -0.2487813 0.3069857 -1.1460531 4 Ge -0.9970872 -0.6177037 -0.0107085 0.1528691 -0.8812275 -0.3847461 -0.2487813 -0.3069857 -1.1460531 5 Ge -0.9970872 -0.6177037 0.0107085 0.1528691 -0.8812275 0.3847461 0.2487813 0.3069857 -1.1460531 6 Ge -0.9970872 0.6177037 0.0107085 -0.1528691 -0.8812275 -0.3847461 0.2487813 -0.3069857 -1.1460531 7 Ge -0.9970872 0.6177037 -0.0107085 -0.1528691 -0.8812275 0.3847461 -0.2487813 0.3069857 -1.1460531 8 Ge -0.9970872 -0.6177037 -0.0107085 0.1528691 -0.8812275 -0.3847461 -0.2487813 -0.3069857 -1.1460531 9 Ge -1.9476511 0.0000000 -1.1382538 0.0000000 -1.2587925 0.0000000 -0.4322639 0.0000000 -0.2370515 10 Ge -1.9476511 0.0000000 -1.1382538 0.0000000 -1.2587925 0.0000000 -0.4322639 0.0000000 -0.2370515 11 Ge -1.9476511 0.0000000 1.1382538 0.0000000 -1.2587925 0.0000000 0.4322639 0.0000000 -0.2370515 12 Ge -1.9476511 0.0000000 1.1382538 0.0000000 -1.2587925 0.0000000 0.4322639 0.0000000 -0.2370515 13 Ge -2.3288587 0.0000000 0.7280163 0.0000000 -1.4417607 0.0000000 1.2161291 0.0000000 -2.8455198 14 Ge -2.3288587 0.0000000 0.7280163 0.0000000 -1.4417607 0.0000000 1.2161291 0.0000000 -2.8455198 15 Ge -2.3288587 0.0000000 -0.7280163 0.0000000 -1.4417607 0.0000000 -1.2161291 0.0000000 -2.8455198 16 Ge -2.3288587 0.0000000 -0.7280163 0.0000000 -1.4417607 0.0000000 -1.2161291 0.0000000 -2.8455198 17 Sr 3.3575249 0.0000000 -1.0469664 0.0000000 1.7888850 0.0000000 0.2378385 0.0000000 2.1077346 18 Sr 3.3575249 0.0000000 -1.0469664 0.0000000 1.7888850 0.0000000 0.2378385 0.0000000 2.1077346 19 Sr 3.3575249 0.0000000 1.0469664 0.0000000 1.7888850 0.0000000 -0.2378385 0.0000000 2.1077346 20 Sr 3.3575249 0.0000000 1.0469664 0.0000000 1.7888850 0.0000000 -0.2378385 0.0000000 2.1077346 21 Sr 2.9131594 0.0000000 0.3207457 0.0000000 2.6741233 0.0000000 0.2814087 0.0000000 3.2669429 22 Sr 2.9131594 0.0000000 0.3207457 0.0000000 2.6741233 0.0000000 0.2814087 0.0000000 3.2669429 23 Sr 2.9131594 0.0000000 -0.3207457 0.0000000 2.6741233 0.0000000 -0.2814087 0.0000000 3.2669429 24 Sr 2.9131594 0.0000000 -0.3207457 0.0000000 2.6741233 0.0000000 -0.2814087 0.0000000 3.2669429 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxz) 0.00000001 (xxz) 0.00000001 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:46:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:46:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.672412260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.442811770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.034186770000000 Atomic positions (fractional): 1 Ge 0.30979000553236 0.94815857426013 0.34946128474258 72.640 2 Ge 0.69020999446764 0.44815857426013 0.65053871525742 72.640 3 Ge 0.80979000553236 0.55184142573987 0.15053871525742 72.640 4 Ge 0.19020999446764 0.05184142573987 0.84946128474258 72.640 5 Ge 0.69020999446764 0.05184142573987 0.65053871525742 72.640 6 Ge 0.30979000553236 0.55184142573987 0.34946128474258 72.640 7 Ge 0.19020999446764 0.44815857426013 0.84946128474258 72.640 8 Ge 0.80979000553236 0.94815857426013 0.15053871525742 72.640 9 Ge 0.56380671501345 0.75000000000000 0.09439017415397 72.640 10 Ge 0.43619328498655 0.25000000000000 0.90560982584603 72.640 11 Ge 0.06380671501345 0.75000000000000 0.40560982584603 72.640 12 Ge 0.93619328498655 0.25000000000000 0.59439017415397 72.640 13 Ge 0.80485675686164 0.75000000000000 0.95100054509824 72.640 14 Ge 0.19514324313836 0.25000000000000 0.04899945490176 72.640 15 Ge 0.30485675686164 0.75000000000000 0.54899945490176 72.640 16 Ge 0.69514324313836 0.25000000000000 0.45100054509824 72.640 17 Sr 0.34654791698499 0.25000000000000 0.59434022130125 87.620 18 Sr 0.65345208301501 0.75000000000000 0.40565977869875 87.620 19 Sr 0.84654791698499 0.25000000000000 0.90565977869875 87.620 20 Sr 0.15345208301501 0.75000000000000 0.09434022130125 87.620 21 Sr 0.51607480383105 0.25000000000000 0.19166307620701 87.620 22 Sr 0.48392519616895 0.75000000000000 0.80833692379300 87.620 23 Sr 0.01607480383105 0.25000000000000 0.30833692379299 87.620 24 Sr 0.98392519616895 0.75000000000000 0.69166307620700 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.344824520000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.885623539999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.034186770000000 Atomic positions (fractional): 1 Ge 0.15489500276618 0.47407928713006 0.34946128474258 72.640 > 1 2 Ge 0.65489500276618 0.47407928713006 0.34946128474258 72.640 > 1 3 Ge 0.15489500276618 0.97407928713006 0.34946128474258 72.640 > 1 4 Ge 0.65489500276618 0.97407928713006 0.34946128474258 72.640 > 1 5 Ge 0.34510499723382 0.22407928713006 0.65053871525742 72.640 > 5 6 Ge 0.84510499723382 0.22407928713006 0.65053871525742 72.640 > 5 7 Ge 0.34510499723382 0.72407928713006 0.65053871525742 72.640 > 5 8 Ge 0.84510499723382 0.72407928713006 0.65053871525742 72.640 > 5 9 Ge 0.40489500276618 0.27592071286994 0.15053871525742 72.640 > 9 10 Ge 0.90489500276618 0.27592071286994 0.15053871525742 72.640 > 9 11 Ge 0.40489500276618 0.77592071286994 0.15053871525742 72.640 > 9 12 Ge 0.90489500276618 0.77592071286994 0.15053871525742 72.640 > 9 13 Ge 0.09510499723382 0.02592071286994 0.84946128474258 72.640 > 13 14 Ge 0.59510499723382 0.02592071286994 0.84946128474258 72.640 > 13 15 Ge 0.09510499723382 0.52592071286994 0.84946128474258 72.640 > 13 16 Ge 0.59510499723382 0.52592071286994 0.84946128474258 72.640 > 13 17 Ge 0.34510499723382 0.02592071286994 0.65053871525742 72.640 > 17 18 Ge 0.84510499723382 0.02592071286994 0.65053871525742 72.640 > 17 19 Ge 0.34510499723382 0.52592071286994 0.65053871525742 72.640 > 17 20 Ge 0.84510499723382 0.52592071286994 0.65053871525742 72.640 > 17 21 Ge 0.15489500276618 0.27592071286994 0.34946128474258 72.640 > 21 22 Ge 0.65489500276618 0.27592071286994 0.34946128474258 72.640 > 21 23 Ge 0.15489500276618 0.77592071286994 0.34946128474258 72.640 > 21 24 Ge 0.65489500276618 0.77592071286994 0.34946128474258 72.640 > 21 25 Ge 0.09510499723382 0.22407928713006 0.84946128474258 72.640 > 25 26 Ge 0.59510499723382 0.22407928713006 0.84946128474258 72.640 > 25 27 Ge 0.09510499723382 0.72407928713006 0.84946128474258 72.640 > 25 28 Ge 0.59510499723382 0.72407928713006 0.84946128474258 72.640 > 25 29 Ge 0.40489500276618 0.47407928713006 0.15053871525742 72.640 > 29 30 Ge 0.90489500276618 0.47407928713006 0.15053871525742 72.640 > 29 31 Ge 0.40489500276618 0.97407928713006 0.15053871525742 72.640 > 29 32 Ge 0.90489500276618 0.97407928713006 0.15053871525742 72.640 > 29 33 Ge 0.28190335750672 0.37500000000000 0.09439017415397 72.640 > 33 34 Ge 0.78190335750672 0.37500000000000 0.09439017415397 72.640 > 33 35 Ge 0.28190335750672 0.87500000000000 0.09439017415397 72.640 > 33 36 Ge 0.78190335750672 0.87500000000000 0.09439017415397 72.640 > 33 37 Ge 0.21809664249328 0.12500000000000 0.90560982584603 72.640 > 37 38 Ge 0.71809664249328 0.12500000000000 0.90560982584603 72.640 > 37 39 Ge 0.21809664249328 0.62500000000000 0.90560982584603 72.640 > 37 40 Ge 0.71809664249328 0.62500000000000 0.90560982584603 72.640 > 37 41 Ge 0.03190335750672 0.37500000000000 0.40560982584603 72.640 > 41 42 Ge 0.53190335750672 0.37500000000000 0.40560982584603 72.640 > 41 43 Ge 0.03190335750672 0.87500000000000 0.40560982584603 72.640 > 41 44 Ge 0.53190335750672 0.87500000000000 0.40560982584603 72.640 > 41 45 Ge 0.46809664249328 0.12500000000000 0.59439017415397 72.640 > 45 46 Ge 0.96809664249328 0.12500000000000 0.59439017415397 72.640 > 45 47 Ge 0.46809664249328 0.62500000000000 0.59439017415397 72.640 > 45 48 Ge 0.96809664249328 0.62500000000000 0.59439017415397 72.640 > 45 49 Ge 0.40242837843082 0.37500000000000 0.95100054509824 72.640 > 49 50 Ge 0.90242837843082 0.37500000000000 0.95100054509824 72.640 > 49 51 Ge 0.40242837843082 0.87500000000000 0.95100054509824 72.640 > 49 52 Ge 0.90242837843082 0.87500000000000 0.95100054509824 72.640 > 49 53 Ge 0.09757162156918 0.12500000000000 0.04899945490176 72.640 > 53 54 Ge 0.59757162156918 0.12500000000000 0.04899945490176 72.640 > 53 55 Ge 0.09757162156918 0.62500000000000 0.04899945490176 72.640 > 53 56 Ge 0.59757162156918 0.62500000000000 0.04899945490176 72.640 > 53 57 Ge 0.15242837843082 0.37500000000000 0.54899945490176 72.640 > 57 58 Ge 0.65242837843082 0.37500000000000 0.54899945490176 72.640 > 57 59 Ge 0.15242837843082 0.87500000000000 0.54899945490176 72.640 > 57 60 Ge 0.65242837843082 0.87500000000000 0.54899945490176 72.640 > 57 61 Ge 0.34757162156918 0.12500000000000 0.45100054509824 72.640 > 61 62 Ge 0.84757162156918 0.12500000000000 0.45100054509824 72.640 > 61 63 Ge 0.34757162156918 0.62500000000000 0.45100054509824 72.640 > 61 64 Ge 0.84757162156918 0.62500000000000 0.45100054509824 72.640 > 61 65 Sr 0.17327395849249 0.12500000000000 0.59434022130125 87.620 > 65 66 Sr 0.67327395849249 0.12500000000000 0.59434022130125 87.620 > 65 67 Sr 0.17327395849249 0.62500000000000 0.59434022130125 87.620 > 65 68 Sr 0.67327395849249 0.62500000000000 0.59434022130125 87.620 > 65 69 Sr 0.32672604150751 0.37500000000000 0.40565977869875 87.620 > 69 70 Sr 0.82672604150751 0.37500000000000 0.40565977869875 87.620 > 69 71 Sr 0.32672604150751 0.87500000000000 0.40565977869875 87.620 > 69 72 Sr 0.82672604150751 0.87500000000000 0.40565977869875 87.620 > 69 73 Sr 0.42327395849249 0.12500000000000 0.90565977869875 87.620 > 73 74 Sr 0.92327395849249 0.12500000000000 0.90565977869875 87.620 > 73 75 Sr 0.42327395849249 0.62500000000000 0.90565977869875 87.620 > 73 76 Sr 0.92327395849249 0.62500000000000 0.90565977869875 87.620 > 73 77 Sr 0.07672604150751 0.37500000000000 0.09434022130125 87.620 > 77 78 Sr 0.57672604150751 0.37500000000000 0.09434022130125 87.620 > 77 79 Sr 0.07672604150751 0.87500000000000 0.09434022130125 87.620 > 77 80 Sr 0.57672604150751 0.87500000000000 0.09434022130125 87.620 > 77 81 Sr 0.25803740191552 0.12500000000000 0.19166307620701 87.620 > 81 82 Sr 0.75803740191552 0.12500000000000 0.19166307620701 87.620 > 81 83 Sr 0.25803740191552 0.62500000000000 0.19166307620701 87.620 > 81 84 Sr 0.75803740191552 0.62500000000000 0.19166307620701 87.620 > 81 85 Sr 0.24196259808448 0.37500000000000 0.80833692379300 87.620 > 85 86 Sr 0.74196259808448 0.37500000000000 0.80833692379300 87.620 > 85 87 Sr 0.24196259808448 0.87500000000000 0.80833692379300 87.620 > 85 88 Sr 0.74196259808448 0.87500000000000 0.80833692379300 87.620 > 85 89 Sr 0.00803740191552 0.12500000000000 0.30833692379299 87.620 > 89 90 Sr 0.50803740191552 0.12500000000000 0.30833692379299 87.620 > 89 91 Sr 0.00803740191552 0.62500000000000 0.30833692379299 87.620 > 89 92 Sr 0.50803740191552 0.62500000000000 0.30833692379299 87.620 > 89 93 Sr 0.49196259808448 0.37500000000000 0.69166307620700 87.620 > 93 94 Sr 0.99196259808448 0.37500000000000 0.69166307620700 87.620 > 93 95 Sr 0.49196259808448 0.87500000000000 0.69166307620700 87.620 > 93 96 Sr 0.99196259808448 0.87500000000000 0.69166307620700 87.620 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 31.3602105 0.0000000 0.0000000 0.0000000 14.7321668 0.0000000 0.0000000 0.0000000 21.6631069 -------------------------- Born effective charges -------------------------- 1 Ge -0.9970872 -0.6177037 0.0107085 0.1528691 -0.8812275 0.3847461 0.2487813 0.3069857 -1.1460531 2 Ge -0.9970872 0.6177037 0.0107085 -0.1528691 -0.8812275 -0.3847461 0.2487813 -0.3069857 -1.1460531 3 Ge -0.9970872 0.6177037 -0.0107085 -0.1528691 -0.8812275 0.3847461 -0.2487813 0.3069857 -1.1460531 4 Ge -0.9970872 -0.6177037 -0.0107085 0.1528691 -0.8812275 -0.3847461 -0.2487813 -0.3069857 -1.1460531 5 Ge -0.9970872 -0.6177037 0.0107085 0.1528691 -0.8812275 0.3847461 0.2487813 0.3069857 -1.1460531 6 Ge -0.9970872 0.6177037 0.0107085 -0.1528691 -0.8812275 -0.3847461 0.2487813 -0.3069857 -1.1460531 7 Ge -0.9970872 0.6177037 -0.0107085 -0.1528691 -0.8812275 0.3847461 -0.2487813 0.3069857 -1.1460531 8 Ge -0.9970872 -0.6177037 -0.0107085 0.1528691 -0.8812275 -0.3847461 -0.2487813 -0.3069857 -1.1460531 9 Ge -1.9476511 0.0000000 -1.1382538 0.0000000 -1.2587925 0.0000000 -0.4322639 0.0000000 -0.2370515 10 Ge -1.9476511 0.0000000 -1.1382538 0.0000000 -1.2587925 0.0000000 -0.4322639 0.0000000 -0.2370515 11 Ge -1.9476511 0.0000000 1.1382538 0.0000000 -1.2587925 0.0000000 0.4322639 0.0000000 -0.2370515 12 Ge -1.9476511 0.0000000 1.1382538 0.0000000 -1.2587925 0.0000000 0.4322639 0.0000000 -0.2370515 13 Ge -2.3288587 0.0000000 0.7280163 0.0000000 -1.4417607 0.0000000 1.2161291 0.0000000 -2.8455198 14 Ge -2.3288587 0.0000000 0.7280163 0.0000000 -1.4417607 0.0000000 1.2161291 0.0000000 -2.8455198 15 Ge -2.3288587 0.0000000 -0.7280163 0.0000000 -1.4417607 0.0000000 -1.2161291 0.0000000 -2.8455198 16 Ge -2.3288587 0.0000000 -0.7280163 0.0000000 -1.4417607 0.0000000 -1.2161291 0.0000000 -2.8455198 17 Sr 3.3575249 0.0000000 -1.0469664 0.0000000 1.7888850 0.0000000 0.2378385 0.0000000 2.1077346 18 Sr 3.3575249 0.0000000 -1.0469664 0.0000000 1.7888850 0.0000000 0.2378385 0.0000000 2.1077346 19 Sr 3.3575249 0.0000000 1.0469664 0.0000000 1.7888850 0.0000000 -0.2378385 0.0000000 2.1077346 20 Sr 3.3575249 0.0000000 1.0469664 0.0000000 1.7888850 0.0000000 -0.2378385 0.0000000 2.1077346 21 Sr 2.9131594 0.0000000 0.3207457 0.0000000 2.6741233 0.0000000 0.2814087 0.0000000 3.2669429 22 Sr 2.9131594 0.0000000 0.3207457 0.0000000 2.6741233 0.0000000 0.2814087 0.0000000 3.2669429 23 Sr 2.9131594 0.0000000 -0.3207457 0.0000000 2.6741233 0.0000000 -0.2814087 0.0000000 3.2669429 24 Sr 2.9131594 0.0000000 -0.3207457 0.0000000 2.6741233 0.0000000 -0.2814087 0.0000000 3.2669429 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxz) 0.00000001 (xxz) 0.00000001 (xzx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 293, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 1.374 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.901 ( 0.000 0.000 0.000) 0.000 1.948 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.302 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.019 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 8.054 ( 0.000 0.000 0.000) 0.000 8.255 ( 0.000 0.000 0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.337 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 21.642 0.000 0.000) 21.642 0.433 ( 22.169 0.000 0.000) 22.169 0.616 ( 31.372 0.000 0.000) 31.372 1.375 ( 0.064 0.000 0.000) 0.064 1.392 ( 2.319 0.000 0.000) 2.319 1.559 ( -5.539 0.000 0.000) 5.539 1.573 ( -7.030 0.000 0.000) 7.030 1.726 ( -0.673 0.000 0.000) 0.673 1.752 ( -7.212 0.000 0.000) 7.212 1.928 ( 0.802 0.000 0.000) 0.802 1.953 ( 0.192 0.000 0.000) 0.192 1.983 ( -3.879 0.000 0.000) 3.879 2.026 ( 1.632 0.000 0.000) 1.632 2.039 ( -0.588 0.000 0.000) 0.588 2.084 ( 2.086 0.000 0.000) 2.086 2.109 ( -0.543 0.000 0.000) 0.543 2.132 ( 0.615 0.000 0.000) 0.615 2.221 ( -1.449 0.000 0.000) 1.449 2.283 ( -1.520 0.000 0.000) 1.520 2.291 ( 1.381 0.000 0.000) 1.381 2.360 ( -5.206 0.000 0.000) 5.206 2.392 ( 1.977 0.000 0.000) 1.977 2.403 ( -2.019 0.000 0.000) 2.019 2.420 ( 2.602 0.000 0.000) 2.602 2.599 ( 1.784 0.000 0.000) 1.784 2.786 ( -1.331 0.000 0.000) 1.331 2.837 ( -3.041 0.000 0.000) 3.041 2.892 ( 0.257 0.000 0.000) 0.257 2.894 ( -3.973 0.000 0.000) 3.973 2.916 ( 4.849 0.000 0.000) 4.849 2.924 ( 5.125 0.000 0.000) 5.125 2.981 ( -3.514 0.000 0.000) 3.514 3.006 ( -2.166 0.000 0.000) 2.166 3.010 ( 1.827 0.000 0.000) 1.827 3.220 ( -0.271 0.000 0.000) 0.271 3.283 ( -2.537 0.000 0.000) 2.537 3.323 ( 1.287 0.000 0.000) 1.287 3.354 ( 4.670 0.000 0.000) 4.670 3.367 ( 3.800 0.000 0.000) 3.800 3.438 ( -0.537 0.000 0.000) 0.537 3.626 ( 2.192 0.000 0.000) 2.192 3.682 ( 1.423 0.000 0.000) 1.423 3.692 ( -1.267 0.000 0.000) 1.267 3.792 ( -1.422 0.000 0.000) 1.422 3.814 ( 2.200 0.000 0.000) 2.200 3.881 ( -1.596 0.000 0.000) 1.596 3.913 ( -1.749 0.000 0.000) 1.749 4.081 ( -2.440 0.000 0.000) 2.440 4.638 ( -1.321 0.000 0.000) 1.321 4.657 ( -0.326 0.000 0.000) 0.326 4.664 ( -0.097 0.000 0.000) 0.097 4.683 ( 0.409 0.000 0.000) 0.409 4.925 ( 0.156 0.000 0.000) 0.156 4.940 ( -1.229 0.000 0.000) 1.229 5.053 ( 2.642 0.000 0.000) 2.642 5.156 ( 0.017 0.000 0.000) 0.017 5.706 ( 0.796 0.000 0.000) 0.796 5.757 ( -0.431 0.000 0.000) 0.431 5.776 ( -0.298 0.000 0.000) 0.298 5.823 ( -0.283 0.000 0.000) 0.283 6.026 ( 0.839 0.000 0.000) 0.839 6.103 ( -0.367 0.000 0.000) 0.367 6.107 ( 0.202 0.000 0.000) 0.202 6.164 ( -0.686 0.000 0.000) 0.686 6.298 ( -0.733 0.000 0.000) 0.733 6.320 ( -0.683 0.000 0.000) 0.683 6.372 ( 1.911 0.000 0.000) 1.911 6.381 ( 1.171 0.000 0.000) 1.171 8.077 ( 2.310 0.000 0.000) 2.310 8.257 ( -0.032 0.000 0.000) 0.032 8.269 ( -0.651 0.000 0.000) 0.651 8.325 ( -1.163 0.000 0.000) 1.163 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 19.149 0.000 0.000) 19.149 0.844 ( 20.275 0.000 0.000) 20.275 1.186 ( 26.938 0.000 0.000) 26.938 1.368 ( -1.501 0.000 0.000) 1.501 1.404 ( -10.739 0.000 0.000) 10.739 1.458 ( 4.516 0.000 0.000) 4.516 1.472 ( -2.902 0.000 0.000) 2.902 1.569 ( -10.489 0.000 0.000) 10.489 1.667 ( -4.945 0.000 0.000) 4.945 1.878 ( -6.600 0.000 0.000) 6.600 1.919 ( -1.954 0.000 0.000) 1.954 1.942 ( -1.357 0.000 0.000) 1.357 2.052 ( 1.382 0.000 0.000) 1.382 2.082 ( 3.761 0.000 0.000) 3.761 2.096 ( -0.756 0.000 0.000) 0.756 2.120 ( 1.611 0.000 0.000) 1.611 2.143 ( 0.417 0.000 0.000) 0.417 2.213 ( -0.052 0.000 0.000) 0.052 2.253 ( -1.378 0.000 0.000) 1.378 2.255 ( -4.221 0.000 0.000) 4.221 2.334 ( 2.879 0.000 0.000) 2.879 2.353 ( -2.336 0.000 0.000) 2.336 2.413 ( -0.062 0.000 0.000) 0.062 2.440 ( -1.681 0.000 0.000) 1.681 2.639 ( 2.068 0.000 0.000) 2.068 2.756 ( -7.327 0.000 0.000) 7.327 2.758 ( -1.565 0.000 0.000) 1.565 2.781 ( -2.746 0.000 0.000) 2.746 2.901 ( 0.770 0.000 0.000) 0.770 2.941 ( -1.191 0.000 0.000) 1.191 2.951 ( -1.765 0.000 0.000) 1.765 2.952 ( -0.800 0.000 0.000) 0.800 3.054 ( 5.966 0.000 0.000) 5.966 3.089 ( 5.776 0.000 0.000) 5.776 3.203 ( -1.619 0.000 0.000) 1.619 3.238 ( -2.059 0.000 0.000) 2.059 3.357 ( 1.869 0.000 0.000) 1.869 3.421 ( -1.315 0.000 0.000) 1.315 3.458 ( 5.849 0.000 0.000) 5.849 3.474 ( 6.994 0.000 0.000) 6.994 3.651 ( -3.188 0.000 0.000) 3.188 3.668 ( 1.240 0.000 0.000) 1.240 3.722 ( 2.654 0.000 0.000) 2.654 3.751 ( -1.942 0.000 0.000) 1.942 3.838 ( -2.833 0.000 0.000) 2.833 3.862 ( -3.543 0.000 0.000) 3.543 3.871 ( 3.491 0.000 0.000) 3.491 4.018 ( -3.867 0.000 0.000) 3.867 4.619 ( -0.445 0.000 0.000) 0.445 4.644 ( -1.069 0.000 0.000) 1.069 4.666 ( 0.364 0.000 0.000) 0.364 4.684 ( -0.251 0.000 0.000) 0.251 4.925 ( -0.313 0.000 0.000) 0.313 4.927 ( -0.015 0.000 0.000) 0.015 5.103 ( 2.314 0.000 0.000) 2.314 5.153 ( -0.375 0.000 0.000) 0.375 5.731 ( 1.839 0.000 0.000) 1.839 5.752 ( -0.010 0.000 0.000) 0.010 5.768 ( -0.555 0.000 0.000) 0.555 5.808 ( -1.381 0.000 0.000) 1.381 6.047 ( 1.284 0.000 0.000) 1.284 6.091 ( -0.809 0.000 0.000) 0.809 6.114 ( 0.529 0.000 0.000) 0.529 6.147 ( -1.010 0.000 0.000) 1.010 6.291 ( 0.015 0.000 0.000) 0.015 6.307 ( -0.636 0.000 0.000) 0.636 6.404 ( 1.077 0.000 0.000) 1.077 6.405 ( 1.260 0.000 0.000) 1.260 8.134 ( 3.385 0.000 0.000) 3.385 8.246 ( -1.863 0.000 0.000) 1.863 8.260 ( 0.386 0.000 0.000) 0.386 8.298 ( -1.449 0.000 0.000) 1.449 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -15.284 0.000 0.000) 15.284 1.154 ( 15.284 0.000 0.000) 15.284 1.197 ( -15.592 0.000 0.000) 15.592 1.197 ( 15.592 0.000 0.000) 15.592 1.449 ( -0.551 0.000 0.000) 0.551 1.449 ( 0.551 0.000 0.000) 0.551 1.559 ( -5.788 0.000 0.000) 5.788 1.559 ( 5.788 0.000 0.000) 5.788 1.645 ( -17.909 0.000 0.000) 17.909 1.645 ( 17.909 0.000 0.000) 17.909 1.913 ( -1.111 0.000 0.000) 1.111 1.913 ( 1.111 0.000 0.000) 1.111 2.078 ( -1.189 0.000 0.000) 1.189 2.078 ( 1.189 0.000 0.000) 1.189 2.142 ( -0.593 0.000 0.000) 0.593 2.142 ( 0.593 0.000 0.000) 0.593 2.157 ( -3.959 0.000 0.000) 3.959 2.157 ( 3.959 0.000 0.000) 3.959 2.238 ( -0.221 0.000 0.000) 0.221 2.238 ( 0.221 0.000 0.000) 0.221 2.366 ( -3.896 0.000 0.000) 3.896 2.366 ( 3.896 0.000 0.000) 3.896 2.388 ( -2.378 0.000 0.000) 2.378 2.388 ( 2.378 0.000 0.000) 2.378 2.673 ( -1.865 0.000 0.000) 1.865 2.673 ( 1.865 0.000 0.000) 1.865 2.744 ( -0.738 0.000 0.000) 0.738 2.744 ( 0.738 0.000 0.000) 0.738 2.921 ( -1.282 0.000 0.000) 1.282 2.921 ( 1.282 0.000 0.000) 1.282 2.934 ( -0.511 0.000 0.000) 0.511 2.934 ( 0.511 0.000 0.000) 0.511 3.151 ( -3.901 0.000 0.000) 3.901 3.151 ( 3.901 0.000 0.000) 3.901 3.186 ( -3.840 0.000 0.000) 3.840 3.186 ( 3.840 0.000 0.000) 3.840 3.391 ( -1.703 0.000 0.000) 1.703 3.391 ( 1.703 0.000 0.000) 1.703 3.568 ( -5.298 0.000 0.000) 5.298 3.568 ( 5.298 0.000 0.000) 5.298 3.608 ( -6.222 0.000 0.000) 6.222 3.608 ( 6.222 0.000 0.000) 6.222 3.779 ( -3.147 0.000 0.000) 3.147 3.779 ( 3.147 0.000 0.000) 3.147 3.784 ( -4.128 0.000 0.000) 4.128 3.784 ( 4.128 0.000 0.000) 4.128 3.942 ( -3.860 0.000 0.000) 3.860 3.942 ( 3.860 0.000 0.000) 3.860 4.624 ( -0.814 0.000 0.000) 0.814 4.624 ( 0.814 0.000 0.000) 0.814 4.676 ( -0.547 0.000 0.000) 0.547 4.676 ( 0.547 0.000 0.000) 0.547 4.925 ( -0.160 0.000 0.000) 0.160 4.925 ( 0.160 0.000 0.000) 0.160 5.138 ( -1.289 0.000 0.000) 1.289 5.138 ( 1.289 0.000 0.000) 1.289 5.757 ( -0.454 0.000 0.000) 0.454 5.757 ( 0.454 0.000 0.000) 0.454 5.772 ( -2.159 0.000 0.000) 2.159 5.772 ( 2.159 0.000 0.000) 2.159 6.072 ( -1.208 0.000 0.000) 1.208 6.072 ( 1.208 0.000 0.000) 1.208 6.128 ( -0.888 0.000 0.000) 0.888 6.128 ( 0.888 0.000 0.000) 0.888 6.296 ( -0.458 0.000 0.000) 0.458 6.296 ( 0.458 0.000 0.000) 0.458 6.416 ( -0.080 0.000 0.000) 0.080 6.416 ( 0.080 0.000 0.000) 0.080 8.198 ( -3.040 0.000 0.000) 3.040 8.198 ( 3.040 0.000 0.000) 3.040 8.273 ( -1.048 0.000 0.000) 1.048 8.273 ( 1.048 0.000 0.000) 1.048 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 0.000 20.746 0.000) 20.746 0.436 ( 0.000 21.900 0.000) 21.900 0.731 ( 0.000 35.503 0.000) 35.503 1.422 ( 0.000 5.302 0.000) 5.302 1.497 ( 0.000 11.779 0.000) 11.779 1.573 ( 0.000 -3.201 0.000) 3.201 1.601 ( 0.000 -6.693 0.000) 6.693 1.770 ( 0.000 7.202 0.000) 7.202 1.843 ( 0.000 2.002 0.000) 2.002 1.919 ( 0.000 -3.553 0.000) 3.553 1.933 ( 0.000 -1.429 0.000) 1.429 2.011 ( 0.000 -1.551 0.000) 1.551 2.085 ( 0.000 4.220 0.000) 4.220 2.087 ( 0.000 4.760 0.000) 4.760 2.128 ( 0.000 8.415 0.000) 8.415 2.129 ( 0.000 -0.228 0.000) 0.228 2.165 ( 0.000 4.817 0.000) 4.817 2.299 ( 0.000 -0.191 0.000) 0.191 2.304 ( 0.000 2.368 0.000) 2.368 2.313 ( 0.000 5.183 0.000) 5.183 2.377 ( 0.000 1.387 0.000) 1.387 2.384 ( 0.000 -1.695 0.000) 1.695 2.412 ( 0.000 2.801 0.000) 2.801 2.435 ( 0.000 3.220 0.000) 3.220 2.578 ( 0.000 0.225 0.000) 0.225 2.699 ( 0.000 1.992 0.000) 1.992 2.757 ( 0.000 -5.449 0.000) 5.449 2.871 ( 0.000 -7.259 0.000) 7.259 2.880 ( 0.000 2.359 0.000) 2.359 2.923 ( 0.000 0.382 0.000) 0.382 2.948 ( 0.000 5.359 0.000) 5.359 2.972 ( 0.000 3.588 0.000) 3.588 2.983 ( 0.000 -0.257 0.000) 0.257 3.112 ( 0.000 -6.545 0.000) 6.545 3.172 ( 0.000 4.902 0.000) 4.902 3.211 ( 0.000 -7.127 0.000) 7.127 3.280 ( 0.000 -0.389 0.000) 0.389 3.332 ( 0.000 1.806 0.000) 1.806 3.430 ( 0.000 6.919 0.000) 6.919 3.460 ( 0.000 0.225 0.000) 0.225 3.535 ( 0.000 -6.470 0.000) 6.470 3.641 ( 0.000 3.036 0.000) 3.036 3.810 ( 0.000 -4.345 0.000) 4.345 3.845 ( 0.000 3.564 0.000) 3.564 3.853 ( 0.000 -4.424 0.000) 4.424 3.885 ( 0.000 -4.561 0.000) 4.561 3.898 ( 0.000 5.840 0.000) 5.840 4.132 ( 0.000 -3.898 0.000) 3.898 4.572 ( 0.000 -0.343 0.000) 0.343 4.664 ( 0.000 0.062 0.000) 0.062 4.665 ( 0.000 -0.759 0.000) 0.759 4.667 ( 0.000 0.562 0.000) 0.562 4.915 ( 0.000 -0.814 0.000) 0.814 4.970 ( 0.000 0.835 0.000) 0.835 5.013 ( 0.000 -1.122 0.000) 1.122 5.135 ( 0.000 -2.014 0.000) 2.014 5.691 ( 0.000 -0.765 0.000) 0.765 5.763 ( 0.000 -1.560 0.000) 1.560 5.770 ( 0.000 0.759 0.000) 0.759 5.826 ( 0.000 0.174 0.000) 0.174 6.036 ( 0.000 1.855 0.000) 1.855 6.109 ( 0.000 0.355 0.000) 0.355 6.114 ( 0.000 0.822 0.000) 0.822 6.174 ( 0.000 0.344 0.000) 0.344 6.313 ( 0.000 0.103 0.000) 0.103 6.330 ( 0.000 0.085 0.000) 0.085 6.342 ( 0.000 -0.410 0.000) 0.410 6.360 ( 0.000 -0.164 0.000) 0.164 8.076 ( 0.000 2.249 0.000) 2.249 8.263 ( 0.000 0.702 0.000) 0.702 8.276 ( 0.000 0.104 0.000) 0.104 8.333 ( 0.000 -0.369 0.000) 0.369 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 10.966 13.803 0.000) 17.629 0.587 ( 15.579 13.575 0.000) 20.664 0.995 ( 20.058 25.323 0.000) 32.305 1.426 ( 0.483 5.891 0.000) 5.910 1.482 ( -4.732 -2.578 0.000) 5.388 1.515 ( 1.945 11.405 0.000) 11.569 1.661 ( -3.031 -2.871 0.000) 4.175 1.707 ( -0.943 5.186 0.000) 5.271 1.773 ( -6.784 2.394 0.000) 7.193 1.925 ( 1.222 -2.727 0.000) 2.988 1.951 ( 0.689 -0.657 0.000) 0.952 1.988 ( -2.793 -0.023 0.000) 2.794 2.062 ( -1.170 4.480 0.000) 4.630 2.069 ( -1.300 4.075 0.000) 4.277 2.126 ( -0.404 0.827 0.000) 0.921 2.141 ( 1.724 5.015 0.000) 5.303 2.163 ( -0.309 3.634 0.000) 3.647 2.271 ( -2.639 4.002 0.000) 4.794 2.292 ( -1.945 0.333 0.000) 1.973 2.295 ( -1.344 1.394 0.000) 1.937 2.385 ( -1.173 0.261 0.000) 1.202 2.401 ( 2.814 1.586 0.000) 3.230 2.421 ( -1.414 3.821 0.000) 4.074 2.438 ( 1.619 1.528 0.000) 2.226 2.593 ( 1.616 -0.178 0.000) 1.626 2.768 ( 1.182 -0.821 0.000) 1.439 2.769 ( 0.259 -4.779 0.000) 4.786 2.827 ( -3.659 -5.781 0.000) 6.842 2.857 ( -0.000 -0.667 0.000) 0.667 2.904 ( -1.245 -0.218 0.000) 1.264 2.949 ( -0.725 0.985 0.000) 1.223 2.968 ( -0.775 0.350 0.000) 0.850 3.017 ( 3.191 0.650 0.000) 3.256 3.134 ( -3.799 6.523 0.000) 7.549 3.184 ( 5.850 -0.373 0.000) 5.862 3.256 ( 4.097 -5.668 0.000) 6.993 3.305 ( 1.548 -1.409 0.000) 2.094 3.347 ( 1.593 2.880 0.000) 3.291 3.427 ( -1.804 -1.892 0.000) 2.614 3.445 ( 1.612 5.761 0.000) 5.983 3.537 ( 0.576 -5.382 0.000) 5.413 3.698 ( 4.141 2.506 0.000) 4.841 3.761 ( -4.194 0.849 0.000) 4.279 3.825 ( -2.706 -2.673 0.000) 3.803 3.830 ( -1.621 3.301 0.000) 3.678 3.891 ( 0.038 -2.858 0.000) 2.858 3.903 ( 0.585 5.333 0.000) 5.365 3.994 ( -4.171 -7.395 0.000) 8.490 4.627 ( 0.578 -0.837 0.000) 1.017 4.661 ( -0.498 -0.074 0.000) 0.503 4.664 ( -0.044 0.525 0.000) 0.527 4.676 ( 0.842 -0.645 0.000) 1.061 4.920 ( 0.479 -0.470 0.000) 0.671 4.950 ( -1.156 0.701 0.000) 1.352 5.045 ( 2.376 -0.904 0.000) 2.542 5.136 ( 0.055 -1.970 0.000) 1.971 5.699 ( 0.930 -0.617 0.000) 1.117 5.763 ( -0.012 -1.285 0.000) 1.285 5.765 ( -0.451 0.743 0.000) 0.869 5.823 ( -0.347 0.036 0.000) 0.349 6.044 ( 0.755 1.777 0.000) 1.931 6.107 ( -0.231 0.475 0.000) 0.529 6.116 ( 0.196 0.826 0.000) 0.849 6.169 ( -0.590 0.481 0.000) 0.762 6.300 ( -0.643 0.197 0.000) 0.673 6.322 ( -0.607 0.183 0.000) 0.634 6.368 ( 1.858 -0.461 0.000) 1.914 6.376 ( 1.229 -0.380 0.000) 1.287 8.098 ( 2.111 2.046 0.000) 2.940 8.263 ( -0.012 0.613 0.000) 0.613 8.271 ( -0.558 0.186 0.000) 0.588 8.322 ( -1.040 -0.244 0.000) 1.068 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 18.904 2.033 0.000) 19.013 0.921 ( 17.981 7.488 0.000) 19.477 1.350 ( 11.084 8.275 0.000) 13.832 1.393 ( -6.710 0.660 0.000) 6.742 1.451 ( 3.571 10.706 0.000) 11.286 1.508 ( -7.476 0.342 0.000) 7.484 1.558 ( -0.348 8.733 0.000) 8.740 1.631 ( -2.084 7.899 0.000) 8.169 1.718 ( -1.551 6.556 0.000) 6.737 1.931 ( -2.725 1.735 0.000) 3.231 1.934 ( -2.251 2.374 0.000) 3.272 1.949 ( 0.688 -0.216 0.000) 0.721 2.041 ( 0.467 -1.214 0.000) 1.301 2.085 ( 1.557 2.406 0.000) 2.866 2.112 ( -1.177 2.097 0.000) 2.405 2.143 ( -1.760 -0.763 0.000) 1.918 2.173 ( 1.219 4.003 0.000) 4.185 2.224 ( -2.796 0.941 0.000) 2.950 2.248 ( -0.910 1.147 0.000) 1.464 2.261 ( -1.769 1.403 0.000) 2.258 2.358 ( -1.468 1.064 0.000) 1.813 2.413 ( 1.304 5.522 0.000) 5.674 2.439 ( -0.534 2.241 0.000) 2.304 2.450 ( 0.031 1.458 0.000) 1.458 2.631 ( 2.073 -0.798 0.000) 2.222 2.719 ( -4.032 -3.503 0.000) 5.341 2.746 ( -2.037 -0.309 0.000) 2.060 2.768 ( -3.068 -0.603 0.000) 3.126 2.875 ( 0.917 -2.415 0.000) 2.584 2.890 ( -0.386 -2.787 0.000) 2.814 2.944 ( 0.365 -0.086 0.000) 0.375 2.965 ( 1.015 -3.628 0.000) 3.767 3.051 ( -3.579 5.028 0.000) 6.172 3.060 ( 0.586 -1.065 0.000) 1.215 3.279 ( 3.824 4.617 0.000) 5.995 3.335 ( 2.856 3.638 0.000) 4.625 3.350 ( 2.513 0.064 0.000) 2.514 3.401 ( -0.718 -1.103 0.000) 1.317 3.410 ( 4.573 -2.877 0.000) 5.403 3.502 ( 4.429 2.614 0.000) 5.143 3.567 ( 2.798 -6.007 0.000) 6.627 3.669 ( -4.940 -0.701 0.000) 4.990 3.740 ( -1.813 1.644 0.000) 2.448 3.752 ( -4.814 -4.382 0.000) 6.510 3.803 ( 0.637 2.941 0.000) 3.010 3.874 ( -1.656 -1.771 0.000) 2.425 3.923 ( 1.413 3.585 0.000) 3.853 3.960 ( -0.519 -4.724 0.000) 4.753 4.625 ( -0.192 0.529 0.000) 0.563 4.646 ( -1.011 0.117 0.000) 1.018 4.668 ( 0.384 0.227 0.000) 0.446 4.684 ( -0.023 -0.100 0.000) 0.103 4.929 ( 0.340 0.210 0.000) 0.400 4.935 ( -0.396 0.830 0.000) 0.920 5.090 ( 2.098 -1.312 0.000) 2.474 5.135 ( -0.292 -1.846 0.000) 1.868 5.728 ( 1.982 -0.333 0.000) 2.010 5.758 ( -0.189 0.565 0.000) 0.596 5.761 ( -0.151 -0.622 0.000) 0.640 5.807 ( -1.414 -0.052 0.000) 1.415 6.063 ( 1.120 1.542 0.000) 1.906 6.099 ( -0.610 0.782 0.000) 0.992 6.123 ( 0.513 0.823 0.000) 0.970 6.154 ( -0.938 0.659 0.000) 1.146 6.295 ( 0.079 0.372 0.000) 0.380 6.310 ( -0.565 0.337 0.000) 0.658 6.399 ( 1.250 -0.532 0.000) 1.359 6.400 ( 1.045 -0.436 0.000) 1.132 8.150 ( 3.085 1.548 0.000) 3.451 8.251 ( -1.650 0.471 0.000) 1.716 8.265 ( 0.310 0.540 0.000) 0.623 8.299 ( -1.284 0.042 0.000) 1.285 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -16.602 0.342 0.000) 16.606 1.151 ( 16.602 0.342 0.000) 16.606 1.247 ( -14.983 4.943 0.000) 15.777 1.247 ( 14.983 4.943 0.000) 15.777 1.454 ( -0.132 0.390 0.000) 0.411 1.454 ( 0.132 0.390 0.000) 0.411 1.642 ( -5.639 10.856 0.000) 12.234 1.642 ( 5.639 10.856 0.000) 12.234 1.791 ( -11.083 10.070 0.000) 14.975 1.791 ( 11.083 10.070 0.000) 14.975 1.941 ( -1.216 2.284 0.000) 2.587 1.941 ( 1.216 2.284 0.000) 2.587 2.075 ( -2.442 -2.564 0.000) 3.541 2.075 ( 2.442 -2.564 0.000) 3.541 2.113 ( -1.303 -0.040 0.000) 1.304 2.113 ( 1.303 -0.040 0.000) 1.304 2.189 ( -0.849 2.368 0.000) 2.515 2.189 ( 0.849 2.368 0.000) 2.515 2.242 ( -0.080 1.176 0.000) 1.178 2.242 ( 0.080 1.176 0.000) 1.179 2.375 ( -3.568 1.313 0.000) 3.802 2.375 ( 3.568 1.313 0.000) 3.802 2.445 ( -1.285 4.559 0.000) 4.736 2.445 ( 1.285 4.559 0.000) 4.736 2.667 ( -1.695 -0.743 0.000) 1.851 2.667 ( 1.695 -0.743 0.000) 1.851 2.724 ( -0.585 -1.511 0.000) 1.620 2.724 ( 0.585 -1.511 0.000) 1.620 2.885 ( -0.244 -2.210 0.000) 2.224 2.885 ( 0.244 -2.210 0.000) 2.224 2.963 ( -1.405 0.630 0.000) 1.539 2.963 ( 1.404 0.629 0.000) 1.539 3.041 ( -1.796 -2.437 0.000) 3.028 3.041 ( 1.797 -2.437 0.000) 3.028 3.344 ( -2.394 7.178 0.000) 7.566 3.344 ( 2.394 7.178 0.000) 7.566 3.375 ( -0.610 -0.756 0.000) 0.972 3.375 ( 0.610 -0.756 0.000) 0.972 3.520 ( -4.876 -3.674 0.000) 6.105 3.520 ( 4.876 -3.674 0.000) 6.105 3.641 ( -1.789 -0.579 0.000) 1.880 3.641 ( 1.789 -0.579 0.000) 1.880 3.664 ( -1.300 -3.576 0.000) 3.805 3.664 ( 1.300 -3.576 0.000) 3.805 3.837 ( -2.020 0.544 0.000) 2.092 3.837 ( 2.020 0.544 0.000) 2.092 3.948 ( -0.992 0.451 0.000) 1.089 3.948 ( 0.992 0.451 0.000) 1.089 4.629 ( -0.609 0.528 0.000) 0.807 4.629 ( 0.609 0.528 0.000) 0.807 4.677 ( -0.527 0.115 0.000) 0.539 4.677 ( 0.527 0.115 0.000) 0.539 4.932 ( -0.042 0.687 0.000) 0.689 4.932 ( 0.042 0.687 0.000) 0.689 5.122 ( -1.149 -1.633 0.000) 1.997 5.122 ( 1.149 -1.633 0.000) 1.997 5.758 ( -0.131 0.082 0.000) 0.154 5.758 ( 0.131 0.082 0.000) 0.154 5.770 ( -2.250 -0.133 0.000) 2.254 5.770 ( 2.250 -0.133 0.000) 2.254 6.084 ( -1.001 1.177 0.000) 1.545 6.084 ( 1.001 1.177 0.000) 1.545 6.136 ( -0.843 0.773 0.000) 1.144 6.136 ( 0.843 0.773 0.000) 1.144 6.300 ( -0.446 0.428 0.000) 0.618 6.300 ( 0.446 0.428 0.000) 0.618 6.411 ( -0.049 -0.508 0.000) 0.511 6.411 ( 0.049 -0.508 0.000) 0.511 8.208 ( -2.743 0.964 0.000) 2.907 8.208 ( 2.743 0.964 0.000) 2.907 8.277 ( -0.906 0.336 0.000) 0.966 8.277 ( 0.906 0.336 0.000) 0.966 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 19.062 0.000) 19.062 0.839 ( 0.000 19.430 0.000) 19.430 1.285 ( 0.000 18.120 0.000) 18.120 1.501 ( 0.000 -3.296 0.000) 3.296 1.527 ( 0.000 -1.113 0.000) 1.113 1.633 ( 0.000 18.153 0.000) 18.153 1.757 ( 0.000 13.399 0.000) 13.399 1.837 ( 0.000 -3.055 0.000) 3.055 1.859 ( 0.000 -5.289 0.000) 5.289 1.886 ( 0.000 3.157 0.000) 3.157 1.922 ( 0.000 4.815 0.000) 4.815 1.941 ( 0.000 -5.099 0.000) 5.099 2.087 ( 0.000 -4.266 0.000) 4.266 2.188 ( 0.000 3.968 0.000) 3.968 2.199 ( 0.000 6.281 0.000) 6.281 2.276 ( 0.000 5.577 0.000) 5.577 2.279 ( 0.000 4.998 0.000) 4.998 2.294 ( 0.000 -3.137 0.000) 3.137 2.321 ( 0.000 4.052 0.000) 4.052 2.407 ( 0.000 3.545 0.000) 3.545 2.408 ( 0.000 4.553 0.000) 4.553 2.420 ( 0.000 2.814 0.000) 2.814 2.511 ( 0.000 7.840 0.000) 7.840 2.542 ( 0.000 7.070 0.000) 7.070 2.594 ( 0.000 1.661 0.000) 1.661 2.671 ( 0.000 -3.127 0.000) 3.127 2.745 ( 0.000 -5.228 0.000) 5.228 2.749 ( 0.000 2.805 0.000) 2.805 2.910 ( 0.000 -1.479 0.000) 1.479 2.935 ( 0.000 -0.190 0.000) 0.190 2.965 ( 0.000 -0.519 0.000) 0.519 2.997 ( 0.000 -0.903 0.000) 0.903 3.049 ( 0.000 2.402 0.000) 2.402 3.080 ( 0.000 -5.418 0.000) 5.418 3.098 ( 0.000 8.748 0.000) 8.748 3.174 ( 0.000 -4.908 0.000) 4.908 3.283 ( 0.000 1.097 0.000) 1.097 3.382 ( 0.000 2.873 0.000) 2.873 3.388 ( 0.000 -1.610 0.000) 1.610 3.543 ( 0.000 4.231 0.000) 4.231 3.583 ( 0.000 6.404 0.000) 6.404 3.685 ( 0.000 -8.560 0.000) 8.560 3.702 ( 0.000 3.355 0.000) 3.355 3.743 ( 0.000 -6.192 0.000) 6.192 3.760 ( 0.000 -8.130 0.000) 8.130 3.911 ( 0.000 2.431 0.000) 2.431 3.969 ( 0.000 1.293 0.000) 1.293 4.021 ( 0.000 -7.474 0.000) 7.474 4.570 ( 0.000 0.212 0.000) 0.212 4.646 ( 0.000 -1.128 0.000) 1.128 4.670 ( 0.000 0.540 0.000) 0.540 4.683 ( 0.000 1.091 0.000) 1.091 4.897 ( 0.000 -0.805 0.000) 0.805 4.982 ( 0.000 0.177 0.000) 0.177 4.984 ( 0.000 -1.617 0.000) 1.617 5.080 ( 0.000 -3.558 0.000) 3.558 5.674 ( 0.000 -0.790 0.000) 0.790 5.727 ( 0.000 -1.859 0.000) 1.859 5.789 ( 0.000 1.122 0.000) 1.122 5.830 ( 0.000 0.217 0.000) 0.217 6.083 ( 0.000 2.746 0.000) 2.746 6.120 ( 0.000 0.706 0.000) 0.706 6.132 ( 0.000 0.875 0.000) 0.875 6.182 ( 0.000 0.380 0.000) 0.380 6.314 ( 0.000 0.035 0.000) 0.035 6.332 ( 0.000 -0.612 0.000) 0.612 6.332 ( 0.000 0.164 0.000) 0.164 6.355 ( 0.000 -0.298 0.000) 0.298 8.134 ( 0.000 3.518 0.000) 3.518 8.277 ( 0.000 0.639 0.000) 0.639 8.279 ( 0.000 0.266 0.000) 0.266 8.323 ( 0.000 -0.618 0.000) 0.618 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 1.339 18.976 0.000) 19.023 0.885 ( 8.723 15.963 0.000) 18.191 1.368 ( 6.392 10.998 0.000) 12.720 1.478 ( -1.033 2.367 0.000) 2.582 1.567 ( 1.283 -5.050 0.000) 5.210 1.666 ( 2.902 17.699 0.000) 17.935 1.767 ( 1.280 12.970 0.000) 13.033 1.778 ( -3.924 -0.501 0.000) 3.955 1.841 ( -1.935 2.028 0.000) 2.803 1.879 ( -1.069 1.409 0.000) 1.769 1.929 ( 1.500 -1.952 0.000) 2.462 1.948 ( 0.634 -2.690 0.000) 2.764 2.097 ( 0.812 -3.499 0.000) 3.592 2.158 ( -4.630 3.997 0.000) 6.116 2.173 ( -1.551 6.008 0.000) 6.205 2.242 ( 0.218 4.398 0.000) 4.403 2.256 ( -2.650 2.102 0.000) 3.382 2.280 ( -0.778 0.769 0.000) 1.094 2.350 ( -0.052 4.502 0.000) 4.503 2.355 ( -4.068 3.959 0.000) 5.677 2.407 ( -1.531 2.656 0.000) 3.065 2.453 ( 1.934 1.772 0.000) 2.623 2.496 ( 0.358 5.771 0.000) 5.782 2.519 ( -1.188 5.338 0.000) 5.468 2.607 ( 1.163 2.092 0.000) 2.394 2.702 ( -1.214 -2.024 0.000) 2.360 2.732 ( 2.406 -2.830 0.000) 3.715 2.782 ( 1.863 2.200 0.000) 2.883 2.884 ( -4.640 -3.259 0.000) 5.670 2.899 ( -1.252 3.025 0.000) 3.274 2.940 ( -3.657 0.603 0.000) 3.706 2.971 ( -2.011 1.078 0.000) 2.281 3.016 ( 3.881 -0.285 0.000) 3.891 3.119 ( 3.470 -5.884 0.000) 6.831 3.210 ( 2.494 -2.694 0.000) 3.672 3.253 ( 7.012 5.443 0.000) 8.877 3.291 ( 2.652 1.104 0.000) 2.873 3.347 ( -3.101 -0.414 0.000) 3.129 3.399 ( 1.134 0.964 0.000) 1.488 3.536 ( -0.481 2.427 0.000) 2.474 3.562 ( -0.686 5.757 0.000) 5.797 3.645 ( -3.639 -8.006 0.000) 8.794 3.750 ( 3.231 2.742 0.000) 4.238 3.766 ( 1.437 -6.595 0.000) 6.749 3.797 ( 3.022 -7.469 0.000) 8.057 3.887 ( -2.236 1.876 0.000) 2.919 3.888 ( -8.994 -2.656 0.000) 9.378 3.972 ( 0.116 1.604 0.000) 1.608 4.614 ( 2.232 -0.452 0.000) 2.277 4.660 ( 1.237 -0.950 0.000) 1.560 4.660 ( -0.790 0.154 0.000) 0.805 4.681 ( -0.203 1.054 0.000) 1.074 4.911 ( 1.279 -0.293 0.000) 1.313 4.958 ( -0.781 0.055 0.000) 0.783 5.020 ( 1.939 -1.534 0.000) 2.472 5.083 ( 0.233 -3.393 0.000) 3.401 5.686 ( 1.287 -0.560 0.000) 1.403 5.734 ( 0.622 -1.506 0.000) 1.630 5.784 ( -0.503 1.113 0.000) 1.221 5.825 ( -0.525 0.143 0.000) 0.544 6.089 ( 0.551 2.633 0.000) 2.690 6.120 ( -0.008 0.778 0.000) 0.778 6.134 ( 0.232 0.912 0.000) 0.941 6.179 ( -0.352 0.477 0.000) 0.593 6.305 ( -0.323 0.312 0.000) 0.449 6.327 ( -0.384 0.343 0.000) 0.514 6.355 ( 1.694 -0.759 0.000) 1.857 6.368 ( 1.042 -0.510 0.000) 1.160 8.150 ( 1.589 3.197 0.000) 3.570 8.276 ( -0.344 0.370 0.000) 0.505 8.277 ( -0.053 0.629 0.000) 0.632 8.316 ( -0.730 -0.427 0.000) 0.846 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 10.422 11.852 0.000) 15.782 1.105 ( 13.312 10.575 0.000) 17.001 1.429 ( -7.657 1.996 0.000) 7.913 1.466 ( 3.271 5.444 0.000) 6.351 1.514 ( -2.665 2.550 0.000) 3.688 1.616 ( -9.598 6.552 0.000) 11.621 1.805 ( 5.882 -1.764 0.000) 6.141 1.817 ( 3.381 13.888 0.000) 14.294 1.848 ( 5.184 11.199 0.000) 12.340 1.911 ( 2.805 -3.502 0.000) 4.487 1.940 ( -0.173 -2.650 0.000) 2.656 1.954 ( -0.393 2.472 0.000) 2.503 2.058 ( -5.069 3.191 0.000) 5.989 2.094 ( -2.687 -3.182 0.000) 4.165 2.158 ( 0.307 4.843 0.000) 4.853 2.194 ( -2.240 4.628 0.000) 5.142 2.244 ( -0.619 2.945 0.000) 3.009 2.255 ( -3.176 3.657 0.000) 4.844 2.289 ( -0.486 1.025 0.000) 1.135 2.330 ( -1.797 5.014 0.000) 5.326 2.368 ( -1.248 0.533 0.000) 1.358 2.454 ( -1.013 0.032 0.000) 1.013 2.521 ( 1.056 4.827 0.000) 4.942 2.537 ( 1.833 5.987 0.000) 6.262 2.625 ( 0.835 1.135 0.000) 1.409 2.664 ( -0.870 -1.217 0.000) 1.496 2.749 ( -3.883 -1.242 0.000) 4.076 2.782 ( -2.279 4.508 0.000) 5.051 2.835 ( 2.366 -2.305 0.000) 3.304 2.865 ( -0.125 2.117 0.000) 2.121 2.935 ( -1.371 0.920 0.000) 1.651 2.937 ( 0.926 -0.716 0.000) 1.170 3.070 ( 1.022 2.117 0.000) 2.351 3.141 ( -2.764 1.742 0.000) 3.267 3.269 ( 5.145 -3.896 0.000) 6.454 3.278 ( 0.919 -3.009 0.000) 3.146 3.321 ( 0.411 -5.161 0.000) 5.177 3.425 ( 4.230 4.862 0.000) 6.444 3.427 ( 1.997 -0.783 0.000) 2.145 3.537 ( 0.669 -1.254 0.000) 1.421 3.564 ( 0.512 5.221 0.000) 5.246 3.566 ( -3.161 -5.531 0.000) 6.370 3.711 ( -5.817 -1.931 0.000) 6.129 3.782 ( -0.861 2.161 0.000) 2.326 3.793 ( 1.119 -5.625 0.000) 5.735 3.837 ( -2.375 0.528 0.000) 2.433 3.890 ( 3.741 -2.332 0.000) 4.408 3.969 ( -0.513 0.926 0.000) 1.058 4.637 ( 0.511 0.568 0.000) 0.764 4.647 ( -0.419 0.141 0.000) 0.442 4.677 ( -0.150 0.658 0.000) 0.675 4.678 ( 0.435 -0.497 0.000) 0.660 4.936 ( 1.089 0.571 0.000) 1.230 4.951 ( -0.098 0.708 0.000) 0.714 5.055 ( 1.608 -2.146 0.000) 2.682 5.086 ( -0.024 -3.034 0.000) 3.034 5.722 ( 2.296 -0.165 0.000) 2.302 5.748 ( 0.774 -0.636 0.000) 1.002 5.773 ( -0.585 0.903 0.000) 1.076 5.807 ( -1.459 0.060 0.000) 1.460 6.101 ( 0.700 2.267 0.000) 2.373 6.119 ( -0.152 1.107 0.000) 1.118 6.141 ( 0.502 0.937 0.000) 1.063 6.168 ( -0.737 0.728 0.000) 1.036 6.305 ( 0.292 0.714 0.000) 0.772 6.320 ( -0.351 0.643 0.000) 0.733 6.385 ( 1.210 -0.907 0.000) 1.512 6.388 ( 0.913 -0.739 0.000) 1.175 8.190 ( 2.303 2.396 0.000) 3.324 8.263 ( -1.136 0.756 0.000) 1.364 8.277 ( 0.166 0.589 0.000) 0.612 8.299 ( -0.885 -0.005 0.000) 0.885 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -13.427 4.092 0.000) 14.036 1.189 ( 13.427 4.092 0.000) 14.036 1.379 ( -13.210 8.148 0.000) 15.520 1.379 ( 13.210 8.148 0.000) 15.520 1.502 ( -0.357 4.511 0.000) 4.525 1.502 ( 0.357 4.511 0.000) 4.525 1.878 ( -1.860 8.521 0.000) 8.722 1.878 ( 1.860 8.521 0.000) 8.722 1.927 ( -2.444 3.442 0.000) 4.222 1.927 ( 2.444 3.442 0.000) 4.222 1.970 ( -0.860 0.804 0.000) 1.177 1.970 ( 0.859 0.804 0.000) 1.177 1.988 ( -2.395 -4.688 0.000) 5.264 1.988 ( 2.395 -4.688 0.000) 5.265 2.176 ( -1.031 5.511 0.000) 5.607 2.176 ( 1.031 5.511 0.000) 5.607 2.227 ( -0.573 2.672 0.000) 2.733 2.227 ( 0.573 2.672 0.000) 2.733 2.298 ( -1.139 3.210 0.000) 3.406 2.298 ( 1.139 3.210 0.000) 3.406 2.398 ( -3.932 0.530 0.000) 3.967 2.398 ( 3.932 0.531 0.000) 3.967 2.544 ( -0.885 4.711 0.000) 4.793 2.544 ( 0.884 4.711 0.000) 4.793 2.648 ( -1.641 -0.330 0.000) 1.674 2.648 ( 1.641 -0.330 0.000) 1.674 2.726 ( -2.542 3.153 0.000) 4.050 2.726 ( 2.542 3.153 0.000) 4.050 2.872 ( -0.180 1.148 0.000) 1.162 2.872 ( 0.180 1.148 0.000) 1.162 2.935 ( -1.180 -1.618 0.000) 2.002 2.935 ( 1.180 -1.618 0.000) 2.002 3.084 ( -1.832 4.267 0.000) 4.643 3.084 ( 1.832 4.267 0.000) 4.643 3.307 ( -1.379 -4.605 0.000) 4.807 3.307 ( 1.379 -4.605 0.000) 4.807 3.391 ( -5.635 -5.301 0.000) 7.736 3.391 ( 5.635 -5.301 0.000) 7.736 3.481 ( -3.370 -1.684 0.000) 3.768 3.481 ( 3.370 -1.684 0.000) 3.768 3.575 ( -0.537 1.806 0.000) 1.884 3.575 ( 0.537 1.806 0.000) 1.884 3.711 ( -4.889 3.533 0.000) 6.032 3.711 ( 4.889 3.534 0.000) 6.032 3.812 ( -0.868 -3.094 0.000) 3.213 3.812 ( 0.868 -3.094 0.000) 3.213 3.947 ( -2.019 -0.749 0.000) 2.153 3.947 ( 2.019 -0.749 0.000) 2.153 4.642 ( -0.211 0.777 0.000) 0.805 4.642 ( 0.211 0.777 0.000) 0.805 4.678 ( -0.228 -0.052 0.000) 0.234 4.678 ( 0.228 -0.052 0.000) 0.234 4.949 ( -0.244 1.004 0.000) 1.033 4.949 ( 0.244 1.004 0.000) 1.033 5.079 ( -0.795 -2.633 0.000) 2.750 5.079 ( 0.795 -2.633 0.000) 2.750 5.761 ( -0.744 0.247 0.000) 0.784 5.761 ( 0.744 0.247 0.000) 0.784 5.769 ( -2.262 0.079 0.000) 2.263 5.769 ( 2.262 0.079 0.000) 2.263 6.113 ( -0.456 1.686 0.000) 1.747 6.113 ( 0.456 1.686 0.000) 1.747 6.153 ( -0.747 0.890 0.000) 1.162 6.153 ( 0.747 0.890 0.000) 1.162 6.313 ( -0.406 0.830 0.000) 0.924 6.313 ( 0.406 0.830 0.000) 0.924 6.397 ( -0.032 -0.884 0.000) 0.884 6.397 ( 0.032 -0.884 0.000) 0.884 8.232 ( -1.994 1.484 0.000) 2.486 8.232 ( 1.994 1.484 0.000) 2.486 8.285 ( -0.592 0.380 0.000) 0.703 8.285 ( 0.592 0.380 0.000) 0.703 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.000 15.403 0.000) 15.403 1.180 ( 0.000 15.383 0.000) 15.383 1.465 ( 0.000 -1.518 0.000) 1.518 1.478 ( 0.000 3.759 0.000) 3.759 1.545 ( 0.000 3.142 0.000) 3.142 1.751 ( 0.000 -5.287 0.000) 5.287 1.774 ( 0.000 -0.716 0.000) 0.716 1.826 ( 0.000 -6.110 0.000) 6.110 1.868 ( 0.000 -4.235 0.000) 4.235 1.962 ( 0.000 -0.487 0.000) 0.487 1.984 ( 0.000 10.169 0.000) 10.169 1.988 ( 0.000 2.234 0.000) 2.234 2.056 ( 0.000 8.064 0.000) 8.064 2.224 ( 0.000 -4.173 0.000) 4.173 2.237 ( 0.000 2.237 0.000) 2.237 2.311 ( 0.000 5.073 0.000) 5.073 2.314 ( 0.000 -0.367 0.000) 0.367 2.381 ( 0.000 6.341 0.000) 6.341 2.431 ( 0.000 2.290 0.000) 2.290 2.458 ( 0.000 1.502 0.000) 1.502 2.474 ( 0.000 5.210 0.000) 5.210 2.502 ( 0.000 5.479 0.000) 5.479 2.629 ( 0.000 -0.194 0.000) 0.194 2.646 ( 0.000 0.596 0.000) 0.596 2.651 ( 0.000 2.412 0.000) 2.412 2.666 ( 0.000 6.709 0.000) 6.709 2.720 ( 0.000 5.164 0.000) 5.164 2.794 ( 0.000 1.586 0.000) 1.586 2.855 ( 0.000 -2.602 0.000) 2.602 2.871 ( 0.000 -6.131 0.000) 6.131 2.956 ( 0.000 -2.991 0.000) 2.991 2.977 ( 0.000 1.122 0.000) 1.122 3.022 ( 0.000 -0.436 0.000) 0.436 3.086 ( 0.000 -2.412 0.000) 2.412 3.164 ( 0.000 7.396 0.000) 7.396 3.248 ( 0.000 4.426 0.000) 4.426 3.329 ( 0.000 3.637 0.000) 3.637 3.401 ( 0.000 1.713 0.000) 1.713 3.425 ( 0.000 1.312 0.000) 1.312 3.522 ( 0.000 -5.399 0.000) 5.399 3.561 ( 0.000 -6.473 0.000) 6.473 3.598 ( 0.000 -4.218 0.000) 4.218 3.639 ( 0.000 -3.387 0.000) 3.387 3.713 ( 0.000 6.350 0.000) 6.350 3.770 ( 0.000 3.389 0.000) 3.389 3.851 ( 0.000 -9.609 0.000) 9.609 3.925 ( 0.000 -0.868 0.000) 0.868 3.954 ( 0.000 -2.378 0.000) 2.378 4.581 ( 0.000 0.855 0.000) 0.855 4.623 ( 0.000 -1.182 0.000) 1.182 4.686 ( 0.000 1.045 0.000) 1.045 4.704 ( 0.000 0.767 0.000) 0.767 4.892 ( 0.000 0.601 0.000) 0.601 4.959 ( 0.000 -0.758 0.000) 0.758 4.975 ( 0.000 -0.820 0.000) 0.820 5.003 ( 0.000 -4.173 0.000) 4.173 5.666 ( 0.000 -0.010 0.000) 0.010 5.695 ( 0.000 -1.393 0.000) 1.393 5.810 ( 0.000 1.005 0.000) 1.005 5.832 ( 0.000 -0.067 0.000) 0.067 6.135 ( 0.000 0.832 0.000) 0.832 6.135 ( 0.000 2.338 0.000) 2.338 6.145 ( 0.000 0.394 0.000) 0.394 6.185 ( 0.000 -0.178 0.000) 0.178 6.314 ( 0.000 -0.054 0.000) 0.054 6.320 ( 0.000 -0.491 0.000) 0.491 6.336 ( 0.000 0.252 0.000) 0.252 6.349 ( 0.000 -0.366 0.000) 0.366 8.203 ( 0.000 3.356 0.000) 3.356 8.281 ( 0.000 -0.429 0.000) 0.429 8.286 ( 0.000 0.468 0.000) 0.468 8.310 ( 0.000 -0.701 0.000) 0.701 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 4.336 13.356 0.000) 14.042 1.176 ( 0.183 16.079 0.000) 16.080 1.479 ( 0.564 -4.077 0.000) 4.116 1.501 ( 2.216 2.870 0.000) 3.626 1.571 ( 3.105 6.750 0.000) 7.429 1.728 ( -2.074 -2.950 0.000) 3.606 1.788 ( 1.440 -1.305 0.000) 1.943 1.833 ( 0.828 -5.924 0.000) 5.982 1.892 ( 1.980 -5.051 0.000) 5.425 1.910 ( -4.939 6.123 0.000) 7.867 1.960 ( -2.304 -0.509 0.000) 2.359 2.001 ( 0.180 6.581 0.000) 6.584 2.066 ( 1.718 4.220 0.000) 4.556 2.191 ( -2.675 -5.265 0.000) 5.905 2.224 ( -2.564 3.086 0.000) 4.012 2.280 ( -1.142 2.349 0.000) 2.612 2.296 ( -1.503 3.776 0.000) 4.064 2.370 ( -1.136 5.837 0.000) 5.947 2.431 ( -2.838 2.312 0.000) 3.661 2.438 ( 0.645 0.439 0.000) 0.780 2.475 ( -1.765 4.118 0.000) 4.481 2.475 ( -2.907 5.459 0.000) 6.184 2.584 ( -0.266 1.641 0.000) 1.662 2.603 ( -2.010 2.812 0.000) 3.457 2.664 ( 0.028 -1.324 0.000) 1.324 2.687 ( 0.705 6.345 0.000) 6.384 2.760 ( 0.774 -0.964 0.000) 1.236 2.803 ( -1.814 1.230 0.000) 2.192 2.832 ( 2.565 2.318 0.000) 3.458 2.883 ( 2.648 -1.433 0.000) 3.011 2.995 ( 0.866 -0.083 0.000) 0.870 3.012 ( 2.134 -0.847 0.000) 2.296 3.040 ( 1.669 -1.627 0.000) 2.331 3.073 ( -3.355 9.315 0.000) 9.901 3.109 ( 2.665 -4.825 0.000) 5.512 3.291 ( -3.873 0.939 0.000) 3.985 3.376 ( 7.965 1.517 0.000) 8.108 3.391 ( -1.184 2.914 0.000) 3.145 3.423 ( -0.289 1.272 0.000) 1.305 3.480 ( -2.878 -3.777 0.000) 4.748 3.556 ( -2.322 -2.655 0.000) 3.527 3.614 ( 2.818 -7.668 0.000) 8.170 3.678 ( -2.046 5.418 0.000) 5.791 3.685 ( 2.684 -2.593 0.000) 3.732 3.791 ( 0.356 0.780 0.000) 0.857 3.811 ( -1.813 -5.559 0.000) 5.847 3.900 ( -1.396 0.211 0.000) 1.412 3.970 ( 0.543 -1.566 0.000) 1.658 4.611 ( 2.293 0.241 0.000) 2.306 4.640 ( 1.489 -1.030 0.000) 1.810 4.671 ( -1.137 1.003 0.000) 1.516 4.699 ( -0.516 0.484 0.000) 0.708 4.914 ( 1.905 0.727 0.000) 2.039 4.956 ( 0.061 -0.016 0.000) 0.063 4.990 ( 1.194 -1.480 0.000) 1.901 5.011 ( 0.737 -3.771 0.000) 3.842 5.682 ( 1.614 0.109 0.000) 1.618 5.708 ( 1.241 -1.125 0.000) 1.675 5.805 ( -0.542 1.003 0.000) 1.141 5.826 ( -0.594 -0.067 0.000) 0.598 6.136 ( 0.107 0.781 0.000) 0.788 6.138 ( 0.299 2.287 0.000) 2.306 6.147 ( 0.248 0.373 0.000) 0.448 6.184 ( -0.154 -0.087 0.000) 0.177 6.312 ( 0.260 0.471 0.000) 0.538 6.335 ( -0.041 0.481 0.000) 0.483 6.339 ( 1.398 -0.848 0.000) 1.635 6.357 ( 0.727 -0.587 0.000) 0.934 8.213 ( 0.942 3.025 0.000) 3.168 8.281 ( 0.040 -0.313 0.000) 0.316 8.285 ( -0.166 0.509 0.000) 0.536 8.306 ( -0.384 -0.533 0.000) 0.656 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 3.824 14.451 0.000) 14.949 1.297 ( 7.466 8.580 0.000) 11.374 1.460 ( -2.330 1.322 0.000) 2.679 1.551 ( 2.482 1.921 0.000) 3.138 1.622 ( -0.008 6.982 0.000) 6.982 1.731 ( 4.659 -2.604 0.000) 5.338 1.750 ( -9.327 6.753 0.000) 11.515 1.829 ( 0.706 -3.657 0.000) 3.724 1.848 ( 0.604 -6.266 0.000) 6.296 1.929 ( -0.941 -2.227 0.000) 2.417 1.931 ( 1.695 -4.437 0.000) 4.750 2.006 ( -1.209 3.041 0.000) 3.272 2.049 ( -1.685 1.037 0.000) 1.978 2.158 ( -3.450 5.154 0.000) 6.202 2.201 ( 3.682 -3.473 0.000) 5.061 2.261 ( -1.315 5.456 0.000) 5.612 2.275 ( -0.571 -0.273 0.000) 0.633 2.326 ( -3.769 3.860 0.000) 5.395 2.381 ( -1.084 2.287 0.000) 2.531 2.405 ( -3.348 7.133 0.000) 7.880 2.409 ( -3.583 1.369 0.000) 3.836 2.447 ( -0.668 0.897 0.000) 1.119 2.576 ( -1.148 0.297 0.000) 1.186 2.604 ( -0.634 -0.960 0.000) 1.151 2.656 ( 1.013 0.609 0.000) 1.183 2.709 ( 1.580 8.025 0.000) 8.179 2.758 ( 3.451 0.635 0.000) 3.508 2.848 ( 2.944 5.266 0.000) 6.033 2.876 ( 1.799 3.637 0.000) 4.057 2.922 ( 0.168 0.582 0.000) 0.606 2.965 ( -3.077 5.149 0.000) 5.999 2.978 ( -1.981 2.556 0.000) 3.234 3.082 ( 2.378 -4.239 0.000) 4.861 3.135 ( 5.221 4.004 0.000) 6.580 3.167 ( 2.968 -6.833 0.000) 7.449 3.191 ( -5.291 -4.354 0.000) 6.852 3.344 ( -3.467 5.266 0.000) 6.305 3.397 ( -5.822 -6.179 0.000) 8.490 3.429 ( 1.053 1.058 0.000) 1.493 3.476 ( -0.343 -2.993 0.000) 3.013 3.550 ( 4.480 0.746 0.000) 4.542 3.649 ( -1.195 2.752 0.000) 3.000 3.666 ( 1.527 -5.461 0.000) 5.671 3.717 ( 3.110 1.908 0.000) 3.649 3.764 ( -2.758 -3.830 0.000) 4.720 3.848 ( 4.190 -2.587 0.000) 4.924 3.873 ( -2.149 3.132 0.000) 3.798 3.964 ( -1.208 -1.224 0.000) 1.719 4.645 ( 1.069 0.323 0.000) 1.117 4.655 ( -0.347 0.772 0.000) 0.847 4.665 ( 0.844 -0.760 0.000) 1.136 4.686 ( -0.686 0.063 0.000) 0.689 4.951 ( 1.629 0.959 0.000) 1.891 4.963 ( 0.561 0.690 0.000) 0.889 5.014 ( 1.091 -1.970 0.000) 2.252 5.025 ( 0.549 -2.978 0.000) 3.028 5.723 ( 2.505 0.252 0.000) 2.518 5.738 ( 1.703 -0.436 0.000) 1.758 5.791 ( -0.954 0.855 0.000) 1.281 5.808 ( -1.399 -0.018 0.000) 1.399 6.139 ( 0.262 0.960 0.000) 0.995 6.143 ( 0.187 1.904 0.000) 1.913 6.154 ( 0.490 0.346 0.000) 0.600 6.178 ( -0.509 0.144 0.000) 0.529 6.322 ( 0.631 1.005 0.000) 1.187 6.335 ( -0.014 0.882 0.000) 0.882 6.365 ( 1.121 -1.099 0.000) 1.570 6.372 ( 0.678 -0.912 0.000) 1.137 8.236 ( 1.353 2.220 0.000) 2.600 8.278 ( -0.614 0.753 0.000) 0.972 8.283 ( 0.186 -0.093 0.000) 0.208 8.297 ( -0.493 -0.204 0.000) 0.534 ======================= Grid point 24 (16/60) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -5.703 8.363 0.000) 10.122 1.313 ( 5.703 8.363 0.000) 10.122 1.524 ( -8.345 4.839 0.000) 9.647 1.524 ( 8.345 4.839 0.000) 9.647 1.615 ( -0.563 6.712 0.000) 6.736 1.615 ( 0.563 6.712 0.000) 6.736 1.822 ( -1.968 -5.249 0.000) 5.606 1.822 ( 1.968 -5.249 0.000) 5.606 1.890 ( -4.875 -5.151 0.000) 7.092 1.890 ( 4.875 -5.151 0.000) 7.092 1.947 ( -0.513 -3.164 0.000) 3.205 1.947 ( 0.513 -3.164 0.000) 3.205 2.092 ( -3.529 7.062 0.000) 7.895 2.092 ( 3.529 7.062 0.000) 7.895 2.252 ( -0.309 0.761 0.000) 0.821 2.252 ( 0.309 0.761 0.000) 0.821 2.272 ( -0.811 1.569 0.000) 1.766 2.272 ( 0.811 1.569 0.000) 1.766 2.361 ( -0.643 1.633 0.000) 1.755 2.361 ( 0.643 1.633 0.000) 1.755 2.410 ( -2.526 3.161 0.000) 4.047 2.410 ( 2.526 3.161 0.000) 4.046 2.567 ( -0.748 -1.781 0.000) 1.931 2.567 ( 0.748 -1.781 0.000) 1.931 2.718 ( -1.858 6.706 0.000) 6.959 2.718 ( 1.858 6.706 0.000) 6.959 2.841 ( -4.570 6.015 0.000) 7.554 2.841 ( 4.570 6.015 0.000) 7.554 2.908 ( -2.710 2.904 0.000) 3.972 2.908 ( 2.710 2.904 0.000) 3.972 2.938 ( -1.318 2.012 0.000) 2.405 2.938 ( 1.318 2.012 0.000) 2.405 3.116 ( -1.635 -3.941 0.000) 4.267 3.116 ( 1.635 -3.941 0.000) 4.267 3.218 ( -0.266 -4.836 0.000) 4.843 3.218 ( 0.265 -4.836 0.000) 4.843 3.295 ( -1.502 0.350 0.000) 1.543 3.295 ( 1.503 0.350 0.000) 1.543 3.454 ( -1.344 0.165 0.000) 1.354 3.454 ( 1.344 0.165 0.000) 1.354 3.622 ( -2.060 0.527 0.000) 2.126 3.622 ( 2.060 0.527 0.000) 2.126 3.704 ( -3.028 -5.598 0.000) 6.364 3.704 ( 3.027 -5.598 0.000) 6.364 3.804 ( -4.751 4.118 0.000) 6.288 3.804 ( 4.751 4.119 0.000) 6.288 3.922 ( -3.130 -1.683 0.000) 3.554 3.922 ( 3.130 -1.683 0.000) 3.554 4.655 ( -0.030 0.495 0.000) 0.496 4.655 ( 0.030 0.495 0.000) 0.496 4.675 ( -0.433 -0.315 0.000) 0.536 4.675 ( 0.433 -0.315 0.000) 0.536 4.969 ( -0.203 1.038 0.000) 1.058 4.969 ( 0.203 1.038 0.000) 1.058 5.028 ( -0.321 -2.367 0.000) 2.389 5.028 ( 0.321 -2.367 0.000) 2.389 5.767 ( -1.580 0.362 0.000) 1.621 5.767 ( 1.580 0.362 0.000) 1.621 5.772 ( -2.155 0.148 0.000) 2.160 5.772 ( 2.155 0.148 0.000) 2.160 6.144 ( -0.148 1.380 0.000) 1.388 6.144 ( 0.148 1.380 0.000) 1.388 6.166 ( -0.659 0.305 0.000) 0.726 6.166 ( 0.659 0.305 0.000) 0.726 6.332 ( -0.330 1.134 0.000) 1.181 6.332 ( 0.330 1.134 0.000) 1.181 6.378 ( -0.133 -1.106 0.000) 1.114 6.378 ( 0.133 -1.106 0.000) 1.114 8.261 ( -1.142 1.357 0.000) 1.773 8.261 ( 1.142 1.357 0.000) 1.773 8.289 ( -0.382 -0.021 0.000) 0.383 8.289 ( 0.382 -0.021 0.000) 0.383 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 -8.744 0.000) 8.744 1.375 ( 0.000 8.744 0.000) 8.744 1.421 ( 0.000 -8.845 0.000) 8.845 1.421 ( 0.000 8.845 0.000) 8.845 1.643 ( 0.000 -6.292 0.000) 6.292 1.643 ( 0.000 6.292 0.000) 6.292 1.781 ( 0.000 -2.759 0.000) 2.759 1.781 ( 0.000 2.759 0.000) 2.759 1.835 ( 0.000 -6.315 0.000) 6.315 1.835 ( 0.000 6.315 0.000) 6.315 2.092 ( 0.000 -2.364 0.000) 2.364 2.092 ( 0.000 2.364 0.000) 2.364 2.128 ( 0.000 -5.315 0.000) 5.315 2.128 ( 0.000 5.315 0.000) 5.315 2.283 ( 0.000 -2.301 0.000) 2.301 2.283 ( 0.000 2.301 0.000) 2.301 2.398 ( 0.000 -3.584 0.000) 3.584 2.398 ( 0.000 3.584 0.000) 3.584 2.462 ( 0.000 -1.302 0.000) 1.302 2.462 ( 0.000 1.302 0.000) 1.302 2.588 ( 0.000 -3.731 0.000) 3.731 2.588 ( 0.000 3.731 0.000) 3.731 2.621 ( 0.000 -4.895 0.000) 4.895 2.621 ( 0.000 4.895 0.000) 4.895 2.699 ( 0.000 -5.519 0.000) 5.519 2.699 ( 0.000 5.519 0.000) 5.519 2.816 ( 0.000 -0.592 0.000) 0.592 2.816 ( 0.000 0.592 0.000) 0.592 2.876 ( 0.000 -5.117 0.000) 5.117 2.876 ( 0.000 5.118 0.000) 5.118 2.876 ( 0.000 -11.427 0.000) 11.427 2.876 ( 0.000 11.427 0.000) 11.427 3.049 ( 0.000 -2.137 0.000) 2.137 3.049 ( 0.000 2.137 0.000) 2.137 3.280 ( 0.000 -2.281 0.000) 2.281 3.280 ( 0.000 2.281 0.000) 2.281 3.392 ( 0.000 -6.003 0.000) 6.003 3.392 ( 0.000 6.003 0.000) 6.003 3.429 ( 0.000 -0.841 0.000) 0.841 3.429 ( 0.000 0.842 0.000) 0.842 3.536 ( 0.000 -3.983 0.000) 3.983 3.536 ( 0.000 3.984 0.000) 3.984 3.675 ( 0.000 -7.184 0.000) 7.184 3.675 ( 0.000 7.184 0.000) 7.184 3.802 ( 0.000 -1.648 0.000) 1.648 3.802 ( 0.000 1.648 0.000) 1.648 3.909 ( 0.000 -0.902 0.000) 0.902 3.909 ( 0.000 0.902 0.000) 0.902 4.601 ( 0.000 -1.134 0.000) 1.134 4.601 ( 0.000 1.134 0.000) 1.134 4.705 ( 0.000 -0.664 0.000) 0.664 4.705 ( 0.000 0.664 0.000) 0.664 4.929 ( 0.000 -3.130 0.000) 3.130 4.929 ( 0.000 3.130 0.000) 3.130 4.958 ( 0.000 -0.623 0.000) 0.623 4.958 ( 0.000 0.623 0.000) 0.623 5.674 ( 0.000 -0.812 0.000) 0.812 5.674 ( 0.000 0.812 0.000) 0.812 5.826 ( 0.000 -0.568 0.000) 0.568 5.826 ( 0.000 0.568 0.000) 0.568 6.146 ( 0.000 -0.302 0.000) 0.302 6.146 ( 0.000 0.302 0.000) 0.302 6.171 ( 0.000 -1.293 0.000) 1.293 6.171 ( 0.000 1.293 0.000) 1.293 6.314 ( 0.000 -0.135 0.000) 0.135 6.314 ( 0.000 0.135 0.000) 0.135 6.342 ( 0.000 -0.341 0.000) 0.341 6.342 ( 0.000 0.341 0.000) 0.341 8.257 ( 0.000 -2.053 0.000) 2.053 8.257 ( 0.000 2.053 0.000) 2.053 8.297 ( 0.000 -0.635 0.000) 0.635 8.297 ( 0.000 0.635 0.000) 0.635 ======================= Grid point 30 (18/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 1.119 -7.307 0.000) 7.392 1.380 ( 1.119 7.307 0.000) 7.392 1.432 ( 1.194 -9.545 0.000) 9.620 1.432 ( 1.194 9.545 0.000) 9.620 1.689 ( 3.613 -2.813 0.000) 4.579 1.689 ( 3.613 2.813 0.000) 4.579 1.779 ( 0.012 -3.727 0.000) 3.727 1.779 ( 0.012 3.727 0.000) 3.727 1.837 ( -0.058 -5.754 0.000) 5.754 1.837 ( -0.058 5.754 0.000) 5.754 2.061 ( -5.835 -5.746 0.000) 8.189 2.061 ( -5.835 5.745 0.000) 8.189 2.096 ( 0.375 -2.762 0.000) 2.787 2.096 ( 0.375 2.762 0.000) 2.787 2.272 ( -1.289 -1.676 0.000) 2.114 2.272 ( -1.289 1.676 0.000) 2.114 2.387 ( -1.019 -4.104 0.000) 4.228 2.387 ( -1.019 4.104 0.000) 4.228 2.438 ( -2.342 -1.211 0.000) 2.637 2.438 ( -2.342 1.211 0.000) 2.637 2.572 ( -1.715 -3.352 0.000) 3.766 2.572 ( -1.715 3.352 0.000) 3.766 2.588 ( -2.948 -4.116 0.000) 5.063 2.588 ( -2.948 4.116 0.000) 5.063 2.667 ( -1.026 -3.028 0.000) 3.197 2.667 ( -1.026 3.028 0.000) 3.197 2.853 ( 3.160 -3.370 0.000) 4.620 2.853 ( 3.160 3.370 0.000) 4.620 2.894 ( 1.402 -9.372 0.000) 9.476 2.894 ( 1.402 9.372 0.000) 9.476 2.924 ( 3.417 -6.179 0.000) 7.061 2.924 ( 3.417 6.180 0.000) 7.061 3.053 ( 0.361 -1.731 0.000) 1.768 3.053 ( 0.361 1.731 0.000) 1.768 3.263 ( -1.353 -8.996 0.000) 9.097 3.263 ( -1.353 8.996 0.000) 9.097 3.373 ( -2.210 -6.733 0.000) 7.087 3.373 ( -2.210 6.734 0.000) 7.087 3.431 ( 0.116 -0.813 0.000) 0.821 3.431 ( 0.116 0.813 0.000) 0.821 3.557 ( 1.720 -1.268 0.000) 2.137 3.557 ( 1.720 1.268 0.000) 2.137 3.698 ( 2.844 -4.628 0.000) 5.432 3.698 ( 2.844 4.628 0.000) 5.432 3.763 ( -3.406 -3.285 0.000) 4.732 3.763 ( -3.406 3.285 0.000) 4.732 3.927 ( 1.063 -2.375 0.000) 2.602 3.927 ( 1.063 2.375 0.000) 2.603 4.622 ( 1.804 -0.800 0.000) 1.973 4.622 ( 1.804 0.800 0.000) 1.973 4.693 ( -0.975 -0.970 0.000) 1.375 4.693 ( -0.975 0.970 0.000) 1.375 4.946 ( 1.571 -2.660 0.000) 3.089 4.946 ( 1.571 2.660 0.000) 3.089 4.965 ( 0.686 -0.992 0.000) 1.206 4.965 ( 0.686 0.992 0.000) 1.206 5.690 ( 1.613 -0.720 0.000) 1.767 5.690 ( 1.613 0.720 0.000) 1.767 5.821 ( -0.572 -0.558 0.000) 0.799 5.821 ( -0.572 0.558 0.000) 0.799 6.147 ( 0.178 -0.363 0.000) 0.404 6.147 ( 0.178 0.363 0.000) 0.404 6.172 ( 0.052 -1.179 0.000) 1.180 6.172 ( 0.052 1.179 0.000) 1.180 6.324 ( 0.914 -0.724 0.000) 1.166 6.324 ( 0.914 0.724 0.000) 1.166 6.345 ( 0.354 -0.579 0.000) 0.679 6.345 ( 0.354 0.579 0.000) 0.679 8.261 ( 0.380 -1.807 0.000) 1.846 8.261 ( 0.380 1.807 0.000) 1.846 8.296 ( -0.166 -0.564 0.000) 0.588 8.296 ( -0.166 0.564 0.000) 0.588 ======================= Grid point 32 (19/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 3.691 -4.905 0.000) 6.139 1.429 ( 3.691 4.905 0.000) 6.139 1.465 ( 1.971 -10.453 0.000) 10.638 1.465 ( 1.971 10.453 0.000) 10.638 1.723 ( -0.130 -5.633 0.000) 5.634 1.723 ( -0.130 5.633 0.000) 5.634 1.809 ( 2.968 -7.482 0.000) 8.049 1.809 ( 2.968 7.482 0.000) 8.049 1.816 ( -2.704 -2.583 0.000) 3.739 1.816 ( -2.704 2.583 0.000) 3.739 1.932 ( -5.997 -5.351 0.000) 8.037 1.932 ( -5.997 5.351 0.000) 8.037 2.132 ( 3.122 -3.825 0.000) 4.937 2.132 ( 3.122 3.825 0.000) 4.937 2.237 ( -1.960 -3.142 0.000) 3.703 2.237 ( -1.960 3.142 0.000) 3.703 2.359 ( -1.910 -4.332 0.000) 4.734 2.359 ( -1.910 4.332 0.000) 4.734 2.379 ( -3.432 -1.399 0.000) 3.706 2.379 ( -3.432 1.399 0.000) 3.706 2.524 ( -2.481 -5.025 0.000) 5.604 2.524 ( -2.481 5.025 0.000) 5.604 2.532 ( -2.437 -4.569 0.000) 5.179 2.532 ( -2.437 4.569 0.000) 5.179 2.718 ( 5.935 -3.763 0.000) 7.027 2.718 ( 5.935 3.763 0.000) 7.027 2.900 ( -0.023 -7.718 0.000) 7.718 2.900 ( -0.023 7.718 0.000) 7.718 2.925 ( 2.798 -1.523 0.000) 3.185 2.925 ( 2.798 1.523 0.000) 3.185 2.975 ( 1.663 -4.967 0.000) 5.238 2.975 ( 1.663 4.967 0.000) 5.238 3.057 ( 0.013 -2.727 0.000) 2.727 3.057 ( 0.013 2.727 0.000) 2.727 3.193 ( -6.252 -5.189 0.000) 8.125 3.193 ( -6.252 5.189 0.000) 8.125 3.362 ( 1.864 -7.260 0.000) 7.495 3.362 ( 1.864 7.260 0.000) 7.495 3.430 ( -0.390 -2.302 0.000) 2.335 3.430 ( -0.390 2.302 0.000) 2.335 3.585 ( 1.391 -3.709 0.000) 3.961 3.585 ( 1.391 3.709 0.000) 3.962 3.689 ( -3.912 -2.678 0.000) 4.741 3.689 ( -3.912 2.679 0.000) 4.742 3.784 ( 5.345 -3.900 0.000) 6.616 3.784 ( 5.345 3.900 0.000) 6.616 3.929 ( -1.163 -2.363 0.000) 2.634 3.929 ( -1.163 2.363 0.000) 2.634 4.652 ( 1.101 -0.513 0.000) 1.215 4.652 ( 1.101 0.513 0.000) 1.215 4.675 ( -0.744 -1.054 0.000) 1.290 4.675 ( -0.744 1.054 0.000) 1.290 4.977 ( 1.363 -1.881 0.000) 2.323 4.977 ( 1.363 1.881 0.000) 2.323 4.982 ( 0.880 -1.285 0.000) 1.558 4.982 ( 0.880 1.285 0.000) 1.558 5.730 ( 2.324 -0.406 0.000) 2.359 5.730 ( 2.324 0.406 0.000) 2.359 5.804 ( -1.218 -0.447 0.000) 1.297 5.804 ( -1.218 0.447 0.000) 1.297 6.153 ( 0.448 -0.436 0.000) 0.625 6.153 ( 0.448 0.436 0.000) 0.625 6.171 ( -0.236 -0.879 0.000) 0.910 6.171 ( -0.236 0.879 0.000) 0.910 6.343 ( 0.941 -1.144 0.000) 1.481 6.343 ( 0.941 1.144 0.000) 1.481 6.353 ( 0.361 -0.976 0.000) 1.041 6.353 ( 0.361 0.976 0.000) 1.041 8.271 ( 0.578 -1.244 0.000) 1.372 8.271 ( 0.578 1.244 0.000) 1.372 8.290 ( -0.364 -0.510 0.000) 0.627 8.290 ( -0.364 0.510 0.000) 0.627 ======================= Grid point 34 (20/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.871 -7.855 0.000) 7.903 1.484 ( 0.871 -7.855 0.000) 7.903 1.484 ( -0.871 7.855 0.000) 7.903 1.484 ( 0.871 7.855 0.000) 7.903 1.741 ( -3.174 -5.713 0.000) 6.536 1.741 ( 3.174 -5.713 0.000) 6.535 1.741 ( -3.174 5.713 0.000) 6.536 1.741 ( 3.174 5.713 0.000) 6.536 1.861 ( -2.425 -4.086 0.000) 4.752 1.861 ( 2.425 -4.086 0.000) 4.752 1.861 ( -2.425 4.086 0.000) 4.752 1.861 ( 2.425 4.086 0.000) 4.752 2.197 ( -2.861 -4.184 0.000) 5.069 2.197 ( 2.861 -4.184 0.000) 5.069 2.197 ( -2.861 4.184 0.000) 5.069 2.197 ( 2.861 4.184 0.000) 5.069 2.334 ( -0.412 -2.874 0.000) 2.903 2.334 ( 0.412 -2.874 0.000) 2.903 2.334 ( -0.412 2.874 0.000) 2.903 2.334 ( 0.412 2.874 0.000) 2.903 2.503 ( -0.380 -4.497 0.000) 4.513 2.503 ( 0.380 -4.497 0.000) 4.513 2.503 ( -0.380 4.497 0.000) 4.513 2.503 ( 0.380 4.497 0.000) 4.513 2.846 ( -5.702 -4.738 0.000) 7.413 2.846 ( 5.702 -4.738 0.000) 7.413 2.846 ( -5.702 4.738 0.000) 7.413 2.846 ( 5.702 4.738 0.000) 7.413 2.976 ( -1.764 -1.257 0.000) 2.166 2.976 ( 1.764 -1.257 0.000) 2.166 2.976 ( -1.764 1.257 0.000) 2.166 2.976 ( 1.764 1.257 0.000) 2.166 3.082 ( -3.749 -6.036 0.000) 7.105 3.082 ( 3.749 -6.035 0.000) 7.105 3.082 ( -3.749 6.036 0.000) 7.105 3.082 ( 3.749 6.036 0.000) 7.105 3.408 ( -2.032 -6.565 0.000) 6.872 3.408 ( 2.032 -6.565 0.000) 6.873 3.408 ( -2.032 6.565 0.000) 6.873 3.408 ( 2.032 6.565 0.000) 6.873 3.623 ( -2.759 -2.032 0.000) 3.427 3.623 ( 2.759 -2.032 0.000) 3.427 3.623 ( -2.759 2.032 0.000) 3.427 3.623 ( 2.759 2.032 0.000) 3.427 3.878 ( -4.027 -3.062 0.000) 5.058 3.878 ( 4.027 -3.062 0.000) 5.059 3.878 ( -4.027 3.062 0.000) 5.059 3.878 ( 4.027 3.062 0.000) 5.059 4.665 ( -0.425 -0.619 0.000) 0.751 4.665 ( 0.425 -0.619 0.000) 0.751 4.665 ( -0.425 0.619 0.000) 0.751 4.665 ( 0.425 0.619 0.000) 0.751 4.991 ( -0.043 -1.407 0.000) 1.408 4.991 ( 0.043 -1.407 0.000) 1.408 4.991 ( -0.043 1.408 0.000) 1.408 4.991 ( 0.043 1.408 0.000) 1.408 5.773 ( -1.995 -0.139 0.000) 2.000 5.773 ( -1.995 0.139 0.000) 2.000 5.773 ( 1.995 -0.139 0.000) 2.000 5.773 ( 1.995 0.139 0.000) 2.000 6.163 ( -0.519 -0.585 0.000) 0.782 6.163 ( 0.519 -0.585 0.000) 0.782 6.163 ( -0.519 0.585 0.000) 0.782 6.163 ( 0.519 0.585 0.000) 0.782 6.355 ( -0.234 -1.212 0.000) 1.235 6.355 ( 0.234 -1.212 0.000) 1.235 6.355 ( -0.234 1.212 0.000) 1.235 6.355 ( 0.234 1.212 0.000) 1.235 8.282 ( -0.543 -0.733 0.000) 0.912 8.282 ( 0.543 -0.733 0.000) 0.912 8.282 ( -0.543 0.733 0.000) 0.912 8.282 ( 0.543 0.733 0.000) 0.912 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 0.000 0.000 17.922) 17.922 0.396 ( 0.000 0.000 21.523) 21.523 0.681 ( 0.000 0.000 36.900) 36.900 1.228 ( 0.000 0.000 -12.956) 12.956 1.326 ( 0.000 0.000 -7.311) 7.311 1.630 ( 0.000 0.000 2.705) 2.705 1.686 ( 0.000 0.000 2.004) 2.004 1.759 ( 0.000 0.000 3.376) 3.376 1.836 ( 0.000 0.000 0.911) 0.911 1.891 ( 0.000 0.000 -1.144) 1.144 1.948 ( 0.000 0.000 0.165) 0.165 1.998 ( 0.000 0.000 -2.175) 2.175 2.021 ( 0.000 0.000 -1.935) 1.935 2.049 ( 0.000 0.000 1.084) 1.084 2.072 ( 0.000 0.000 0.786) 0.786 2.129 ( 0.000 0.000 0.743) 0.743 2.131 ( 0.000 0.000 1.364) 1.364 2.283 ( 0.000 0.000 3.487) 3.487 2.292 ( 0.000 0.000 1.185) 1.185 2.309 ( 0.000 0.000 -13.653) 13.653 2.319 ( 0.000 0.000 1.627) 1.627 2.359 ( 0.000 0.000 -0.548) 0.548 2.365 ( 0.000 0.000 -1.628) 1.628 2.401 ( 0.000 0.000 -0.037) 0.037 2.545 ( 0.000 0.000 -3.384) 3.384 2.552 ( 0.000 0.000 -8.438) 8.438 2.810 ( 0.000 0.000 -2.580) 2.580 2.828 ( 0.000 0.000 -4.462) 4.462 2.872 ( 0.000 0.000 0.486) 0.486 2.885 ( 0.000 0.000 -0.358) 0.358 2.918 ( 0.000 0.000 0.884) 0.884 2.959 ( 0.000 0.000 -2.402) 2.402 3.031 ( 0.000 0.000 -0.463) 0.463 3.134 ( 0.000 0.000 -5.651) 5.651 3.207 ( 0.000 0.000 12.299) 12.299 3.316 ( 0.000 0.000 0.482) 0.482 3.321 ( 0.000 0.000 3.410) 3.410 3.397 ( 0.000 0.000 6.677) 6.677 3.424 ( 0.000 0.000 1.771) 1.771 3.457 ( 0.000 0.000 0.506) 0.506 3.616 ( 0.000 0.000 0.715) 0.715 3.650 ( 0.000 0.000 -1.972) 1.972 3.716 ( 0.000 0.000 1.382) 1.382 3.791 ( 0.000 0.000 -0.040) 0.040 3.873 ( 0.000 0.000 -2.473) 2.473 3.884 ( 0.000 0.000 -4.454) 4.454 3.911 ( 0.000 0.000 5.811) 5.811 4.172 ( 0.000 0.000 -1.086) 1.086 4.577 ( 0.000 0.000 0.022) 0.022 4.633 ( 0.000 0.000 -2.124) 2.124 4.664 ( 0.000 0.000 0.258) 0.258 4.686 ( 0.000 0.000 0.266) 0.266 4.925 ( 0.000 0.000 0.530) 0.530 4.990 ( 0.000 0.000 2.726) 2.726 5.008 ( 0.000 0.000 -1.179) 1.179 5.141 ( 0.000 0.000 -1.524) 1.524 5.751 ( 0.000 0.000 -0.722) 0.722 5.757 ( 0.000 0.000 -0.672) 0.672 5.793 ( 0.000 0.000 1.003) 1.003 5.825 ( 0.000 0.000 -0.003) 0.003 6.026 ( 0.000 0.000 0.879) 0.879 6.097 ( 0.000 0.000 -0.919) 0.919 6.112 ( 0.000 0.000 0.651) 0.651 6.164 ( 0.000 0.000 -0.663) 0.663 6.318 ( 0.000 0.000 0.035) 0.035 6.335 ( 0.000 0.000 0.591) 0.591 6.340 ( 0.000 0.000 -0.527) 0.527 6.362 ( 0.000 0.000 -0.077) 0.077 8.076 ( 0.000 0.000 2.345) 2.345 8.241 ( 0.000 0.000 -1.627) 1.627 8.284 ( 0.000 0.000 0.370) 0.370 8.327 ( 0.000 0.000 -0.918) 0.918 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 12.569 0.000 11.907) 17.314 0.531 ( 16.745 0.000 10.324) 19.672 0.967 ( 21.858 0.000 26.930) 34.684 1.260 ( 3.062 0.000 -11.713) 12.107 1.306 ( -1.359 0.000 -8.388) 8.497 1.564 ( -5.027 0.000 2.228) 5.498 1.617 ( -5.904 0.000 3.200) 6.715 1.742 ( -2.665 0.000 0.677) 2.750 1.748 ( -8.204 0.000 -0.770) 8.240 1.940 ( 2.689 0.000 1.007) 2.872 1.953 ( 0.056 0.000 0.143) 0.154 1.982 ( -3.301 0.000 -0.206) 3.308 2.021 ( 1.641 0.000 -0.409) 1.691 2.053 ( -0.296 0.000 1.234) 1.269 2.076 ( 1.443 0.000 -0.406) 1.499 2.124 ( 0.036 0.000 1.399) 1.400 2.142 ( 0.697 0.000 1.074) 1.280 2.229 ( -3.365 0.000 -1.224) 3.581 2.274 ( -2.045 0.000 -5.109) 5.503 2.297 ( -2.932 0.000 -3.197) 4.338 2.304 ( 1.362 0.000 1.236) 1.839 2.378 ( -1.138 0.000 -1.186) 1.643 2.385 ( 1.876 0.000 -0.777) 2.030 2.418 ( 2.398 0.000 0.022) 2.398 2.560 ( 2.279 0.000 -4.194) 4.774 2.656 ( 5.503 0.000 -8.932) 10.491 2.778 ( -2.041 0.000 -3.306) 3.885 2.840 ( -0.896 0.000 -3.598) 3.708 2.888 ( 0.459 0.000 -0.237) 0.516 2.914 ( 1.029 0.000 0.265) 1.062 2.922 ( 4.006 0.000 -0.427) 4.028 2.964 ( -0.458 0.000 -1.212) 1.295 3.007 ( -1.129 0.000 0.402) 1.199 3.155 ( -4.748 0.000 10.034) 11.100 3.160 ( 1.686 0.000 -4.610) 4.909 3.319 ( 0.387 0.000 2.327) 2.359 3.358 ( 2.331 0.000 0.770) 2.455 3.386 ( -1.940 0.000 3.847) 4.308 3.423 ( 2.635 0.000 5.631) 6.217 3.462 ( 0.097 0.000 1.479) 1.483 3.635 ( 1.643 0.000 -0.006) 1.643 3.659 ( 0.819 0.000 -2.068) 2.224 3.710 ( -0.610 0.000 1.514) 1.632 3.791 ( -1.925 0.000 -0.481) 1.984 3.827 ( -0.015 0.000 0.626) 0.626 3.859 ( -1.467 0.000 -2.338) 2.759 3.944 ( -0.127 0.000 2.675) 2.678 4.082 ( -4.594 0.000 0.389) 4.611 4.600 ( 0.820 0.000 -1.789) 1.968 4.635 ( 0.108 0.000 -1.764) 1.767 4.673 ( 0.046 0.000 0.449) 0.451 4.694 ( 0.405 0.000 0.172) 0.441 4.926 ( 0.131 0.000 0.539) 0.555 4.959 ( -1.460 0.000 1.330) 1.975 5.051 ( 2.730 0.000 0.024) 2.730 5.143 ( 0.140 0.000 -1.382) 1.389 5.726 ( -0.768 0.000 1.115) 1.354 5.748 ( -0.209 0.000 -0.689) 0.720 5.785 ( -0.703 0.000 0.781) 1.051 5.821 ( -0.422 0.000 -0.206) 0.470 6.033 ( 0.774 0.000 0.808) 1.119 6.099 ( 0.247 0.000 -0.853) 0.888 6.108 ( -0.380 0.000 0.617) 0.725 6.158 ( -0.652 0.000 -0.623) 0.902 6.304 ( -0.828 0.000 0.518) 0.977 6.321 ( -0.731 0.000 0.108) 0.739 6.369 ( 1.902 0.000 -0.343) 1.932 6.377 ( 1.247 0.000 -0.287) 1.279 8.096 ( 2.017 0.000 2.012) 2.849 8.243 ( 0.122 0.000 -1.560) 1.564 8.275 ( -0.786 0.000 0.517) 0.941 8.317 ( -1.040 0.000 -0.788) 1.305 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 19.238 0.000 -0.052) 19.238 0.867 ( 17.141 0.000 4.900) 17.828 1.279 ( 0.221 0.000 -7.047) 7.050 1.312 ( -0.156 0.000 -7.768) 7.769 1.401 ( 17.837 0.000 15.090) 23.364 1.473 ( -3.114 0.000 1.506) 3.459 1.500 ( -4.050 0.000 2.823) 4.937 1.552 ( -10.360 0.000 -1.650) 10.490 1.656 ( -5.803 0.000 -1.417) 5.973 1.922 ( -1.964 0.000 0.382) 2.001 1.930 ( -4.223 0.000 4.861) 6.439 1.941 ( -1.444 0.000 -0.143) 1.451 2.060 ( 2.194 0.000 -1.550) 2.687 2.065 ( 1.104 0.000 1.108) 1.564 2.092 ( 0.092 0.000 -0.346) 0.358 2.136 ( 1.078 0.000 1.480) 1.831 2.154 ( 0.407 0.000 1.067) 1.142 2.164 ( -3.852 0.000 -5.010) 6.319 2.244 ( 0.314 0.000 -1.896) 1.921 2.271 ( 0.417 0.000 1.027) 1.108 2.343 ( 2.533 0.000 0.931) 2.699 2.346 ( -1.817 0.000 -0.134) 1.822 2.408 ( 0.151 0.000 -0.661) 0.678 2.431 ( -1.818 0.000 -1.108) 2.129 2.615 ( 3.290 0.000 -2.460) 4.108 2.714 ( 0.528 0.000 -4.501) 4.532 2.735 ( -2.275 0.000 -2.606) 3.460 2.775 ( -4.573 0.000 1.195) 4.726 2.901 ( 0.894 0.000 0.087) 0.898 2.938 ( 0.002 0.000 0.189) 0.189 2.945 ( -1.124 0.000 -0.716) 1.333 2.979 ( 1.371 0.000 1.068) 1.738 3.057 ( 5.113 0.000 0.508) 5.138 3.081 ( -0.092 0.000 1.218) 1.222 3.175 ( -0.392 0.000 -2.695) 2.723 3.277 ( -4.501 0.000 1.657) 4.796 3.375 ( 1.928 0.000 2.006) 2.782 3.426 ( 1.484 0.000 0.627) 1.611 3.471 ( 2.338 0.000 0.338) 2.362 3.494 ( 4.536 0.000 3.486) 5.721 3.643 ( -2.460 0.000 -3.428) 4.219 3.654 ( -2.184 0.000 -0.007) 2.184 3.715 ( 1.828 0.000 -0.363) 1.864 3.760 ( 1.279 0.000 2.013) 2.385 3.819 ( -2.614 0.000 -1.963) 3.269 3.867 ( 2.952 0.000 -0.614) 3.015 3.909 ( -3.123 0.000 3.801) 4.919 4.007 ( -3.743 0.000 -0.848) 3.838 4.613 ( 0.659 0.000 -0.368) 0.755 4.634 ( -0.232 0.000 -0.680) 0.719 4.674 ( 0.117 0.000 0.558) 0.570 4.692 ( -0.516 0.000 0.369) 0.634 4.929 ( 0.115 0.000 0.639) 0.649 4.940 ( -0.587 0.000 0.975) 1.138 5.100 ( 2.194 0.000 -0.203) 2.204 5.144 ( -0.175 0.000 -1.009) 1.024 5.735 ( 1.340 0.000 0.212) 1.357 5.747 ( 0.133 0.000 -0.499) 0.517 5.770 ( -0.825 0.000 0.270) 0.868 5.804 ( -1.415 0.000 -0.413) 1.474 6.053 ( 1.209 0.000 0.654) 1.374 6.096 ( -0.803 0.000 0.462) 0.926 6.108 ( 0.578 0.000 -0.609) 0.840 6.141 ( -0.988 0.000 -0.556) 1.134 6.296 ( -0.053 0.000 0.460) 0.463 6.309 ( -0.569 0.000 0.152) 0.589 6.400 ( 1.191 0.000 -0.364) 1.246 6.402 ( 1.161 0.000 -0.292) 1.197 8.146 ( 3.017 0.000 1.298) 3.284 8.243 ( -0.774 0.000 -0.771) 1.092 8.256 ( -0.461 0.000 0.092) 0.470 8.292 ( -1.380 0.000 -0.593) 1.502 ======================= Grid point 66 (24/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -15.227 0.000 -3.520) 15.628 1.146 ( 15.227 0.000 -3.520) 15.628 1.164 ( -13.106 0.000 0.983) 13.143 1.164 ( 13.106 0.000 0.983) 13.143 1.414 ( -2.523 0.000 -3.694) 4.473 1.414 ( 2.523 0.000 -3.694) 4.473 1.539 ( -5.734 0.000 -1.968) 6.062 1.539 ( 5.734 0.000 -1.968) 6.062 1.761 ( -13.767 0.000 10.443) 17.280 1.761 ( 13.767 0.000 10.443) 17.280 1.914 ( -0.889 0.000 0.048) 0.890 1.914 ( 0.889 0.000 0.048) 0.890 2.084 ( -0.767 0.000 0.504) 0.918 2.084 ( 0.767 0.000 0.504) 0.918 2.102 ( -2.425 0.000 -3.768) 4.481 2.102 ( 2.425 0.000 -3.768) 4.481 2.153 ( -0.525 0.000 1.116) 1.234 2.153 ( 0.525 0.000 1.116) 1.234 2.271 ( -1.282 0.000 1.460) 1.942 2.271 ( 1.282 0.000 1.460) 1.942 2.357 ( -3.870 0.000 -0.919) 3.978 2.357 ( 3.870 0.000 -0.919) 3.978 2.389 ( -1.931 0.000 0.066) 1.932 2.389 ( 1.931 0.000 0.066) 1.932 2.683 ( -3.518 0.000 -1.936) 4.016 2.683 ( 3.518 0.000 -1.936) 4.016 2.716 ( -0.686 0.000 0.748) 1.015 2.716 ( 0.686 0.000 0.748) 1.015 2.921 ( -1.153 0.000 0.038) 1.154 2.921 ( 1.153 0.000 0.038) 1.154 2.953 ( -1.737 0.000 1.753) 2.468 2.953 ( 1.737 0.000 1.753) 2.468 3.141 ( -3.175 0.000 -1.011) 3.332 3.141 ( 3.175 0.000 -1.011) 3.332 3.171 ( -6.270 0.000 -2.089) 6.609 3.171 ( 6.270 0.000 -2.089) 6.609 3.414 ( -1.701 0.000 2.037) 2.653 3.414 ( 1.701 0.000 2.037) 2.653 3.556 ( -5.300 0.000 -3.840) 6.545 3.556 ( 5.300 0.000 -3.840) 6.545 3.585 ( -4.571 0.000 1.745) 4.893 3.585 ( 4.571 0.000 1.745) 4.893 3.764 ( -2.907 0.000 -1.491) 3.267 3.764 ( 2.907 0.000 -1.491) 3.267 3.830 ( -4.597 0.000 3.428) 5.734 3.830 ( 4.597 0.000 3.428) 5.734 3.934 ( -3.724 0.000 -0.711) 3.791 3.934 ( 3.724 0.000 -0.711) 3.791 4.625 ( -0.619 0.000 0.226) 0.659 4.625 ( 0.619 0.000 0.226) 0.659 4.680 ( -0.555 0.000 0.359) 0.661 4.680 ( 0.555 0.000 0.359) 0.661 4.932 ( -0.294 0.000 0.737) 0.793 4.932 ( 0.294 0.000 0.737) 0.793 5.132 ( -1.102 0.000 -0.569) 1.240 5.132 ( 1.102 0.000 -0.569) 1.240 5.754 ( -0.476 0.000 -0.320) 0.574 5.754 ( 0.476 0.000 -0.320) 0.574 5.770 ( -1.844 0.000 -0.177) 1.852 5.770 ( 1.844 0.000 -0.177) 1.852 6.077 ( -1.174 0.000 0.532) 1.289 6.077 ( 1.174 0.000 0.532) 1.289 6.123 ( -0.917 0.000 -0.556) 1.073 6.123 ( 0.917 0.000 -0.556) 1.073 6.299 ( -0.379 0.000 0.312) 0.491 6.299 ( 0.379 0.000 0.312) 0.491 6.413 ( -0.087 0.000 -0.323) 0.335 6.413 ( 0.087 0.000 -0.323) 0.335 8.203 ( -2.732 0.000 0.576) 2.792 8.203 ( 2.732 0.000 0.576) 2.792 8.268 ( -1.088 0.000 -0.589) 1.237 8.268 ( 1.088 0.000 -0.589) 1.237 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 15.275 13.363) 20.295 0.618 ( 0.000 16.885 14.642) 22.349 0.932 ( 0.000 24.400 21.906) 32.791 1.347 ( 0.000 9.913 -11.597) 15.257 1.363 ( 0.000 4.302 -7.652) 8.779 1.585 ( 0.000 -2.164 3.445) 4.069 1.680 ( 0.000 -2.978 3.994) 4.982 1.782 ( 0.000 6.841 1.197) 6.945 1.854 ( 0.000 2.059 0.927) 2.258 1.934 ( 0.000 -1.933 1.947) 2.744 1.935 ( 0.000 -2.258 -0.440) 2.300 2.001 ( 0.000 0.877 -2.695) 2.834 2.065 ( 0.000 2.136 -2.000) 2.927 2.092 ( 0.000 3.989 -1.001) 4.113 2.100 ( 0.000 4.823 1.170) 4.963 2.132 ( 0.000 1.304 -0.300) 1.338 2.164 ( 0.000 3.525 0.056) 3.525 2.311 ( 0.000 1.429 1.440) 2.029 2.323 ( 0.000 3.138 1.039) 3.306 2.338 ( 0.000 3.003 -7.251) 7.848 2.341 ( 0.000 3.191 2.469) 4.035 2.379 ( 0.000 1.773 -0.013) 1.773 2.395 ( 0.000 2.834 -1.595) 3.252 2.429 ( 0.000 3.366 -0.608) 3.420 2.551 ( 0.000 0.740 -2.864) 2.958 2.582 ( 0.000 3.130 -8.569) 9.123 2.774 ( 0.000 -4.075 0.799) 4.152 2.812 ( 0.000 -2.665 -3.834) 4.670 2.852 ( 0.000 0.899 -1.844) 2.051 2.886 ( 0.000 -2.656 -2.062) 3.363 2.906 ( 0.000 1.623 -3.022) 3.430 2.955 ( 0.000 0.883 -2.501) 2.653 3.051 ( 0.000 0.061 2.809) 2.809 3.079 ( 0.000 -3.203 -1.287) 3.452 3.253 ( 0.000 1.969 7.392) 7.650 3.286 ( 0.000 -5.947 5.525) 8.117 3.320 ( 0.000 0.944 4.034) 4.142 3.404 ( 0.000 -0.341 3.900) 3.915 3.409 ( 0.000 3.669 -0.370) 3.687 3.475 ( 0.000 0.538 0.703) 0.885 3.534 ( 0.000 -5.841 -0.100) 5.842 3.660 ( 0.000 2.204 0.799) 2.344 3.764 ( 0.000 4.268 -2.138) 4.773 3.824 ( 0.000 -4.740 -1.449) 4.957 3.874 ( 0.000 -0.831 3.428) 3.528 3.886 ( 0.000 -0.601 -3.913) 3.959 3.888 ( 0.000 2.684 0.386) 2.711 4.117 ( 0.000 -4.934 -0.676) 4.980 4.572 ( 0.000 -0.391 -0.004) 0.391 4.626 ( 0.000 -0.639 -2.228) 2.318 4.670 ( 0.000 0.630 0.315) 0.705 4.686 ( 0.000 0.017 0.504) 0.504 4.920 ( 0.000 -0.569 0.683) 0.889 4.992 ( 0.000 0.198 2.150) 2.159 5.000 ( 0.000 -0.902 -1.196) 1.498 5.123 ( 0.000 -1.839 -1.351) 2.282 5.720 ( 0.000 -2.411 1.093) 2.647 5.744 ( 0.000 -0.894 -1.035) 1.368 5.791 ( 0.000 0.033 1.236) 1.237 5.823 ( 0.000 0.043 -0.113) 0.121 6.043 ( 0.000 1.726 0.762) 1.886 6.106 ( 0.000 0.903 -0.840) 1.233 6.122 ( 0.000 0.640 0.914) 1.116 6.169 ( 0.000 0.459 -0.529) 0.700 6.317 ( 0.000 -0.054 0.246) 0.252 6.334 ( 0.000 -0.083 0.448) 0.456 6.338 ( 0.000 -0.270 -0.408) 0.489 6.359 ( 0.000 -0.276 -0.166) 0.322 8.097 ( 0.000 2.067 2.154) 2.986 8.250 ( 0.000 0.812 -1.512) 1.716 8.283 ( 0.000 -0.034 0.536) 0.537 8.325 ( 0.000 -0.291 -0.836) 0.886 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 4.838 13.321 10.954) 17.912 0.746 ( 11.975 13.309 11.977) 21.540 1.148 ( 15.916 16.004 14.717) 26.945 1.350 ( 0.041 5.743 -7.202) 9.212 1.383 ( 3.157 10.092 -9.236) 14.040 1.531 ( -3.385 0.446 3.045) 4.575 1.667 ( -6.336 -0.030 0.048) 6.336 1.746 ( -0.265 2.712 2.472) 3.679 1.782 ( -5.735 3.753 1.210) 6.960 1.932 ( 0.082 -1.883 0.466) 1.941 1.967 ( 0.412 -1.464 0.183) 1.531 1.988 ( -1.103 1.498 0.299) 1.884 2.048 ( -1.429 2.520 -1.232) 3.148 2.076 ( -0.167 3.077 0.874) 3.203 2.115 ( 0.654 3.372 -0.885) 3.547 2.133 ( 0.473 1.056 0.015) 1.157 2.173 ( 0.399 3.675 0.461) 3.725 2.268 ( -3.550 2.446 -1.829) 4.683 2.288 ( -2.951 2.406 -0.864) 3.905 2.308 ( -2.968 1.323 0.108) 3.251 2.341 ( 0.600 3.406 -2.537) 4.289 2.394 ( 2.349 1.828 -1.552) 3.357 2.415 ( -0.737 3.366 -0.374) 3.466 2.437 ( 1.678 1.897 0.023) 2.533 2.574 ( 2.234 1.389 -1.884) 3.235 2.644 ( 4.079 -0.303 -7.839) 8.842 2.774 ( -0.932 -0.778 -0.369) 1.269 2.802 ( -1.483 -3.434 -1.857) 4.176 2.856 ( 1.234 -2.201 -0.048) 2.524 2.878 ( -0.165 -2.450 -1.393) 2.823 2.928 ( 1.155 0.978 -2.553) 2.968 2.976 ( 1.018 1.621 -0.722) 2.046 3.037 ( -0.878 0.109 1.248) 1.530 3.093 ( 2.534 -2.904 -5.106) 6.397 3.230 ( -3.473 5.058 8.199) 10.240 3.310 ( 0.645 -2.400 2.624) 3.614 3.341 ( 3.770 -2.595 4.722) 6.576 3.405 ( 0.383 -0.181 4.107) 4.128 3.426 ( 1.729 4.329 -1.212) 4.816 3.453 ( -1.328 -1.658 1.771) 2.766 3.540 ( 0.851 -4.198 -0.060) 4.284 3.679 ( 0.115 -0.124 -2.248) 2.255 3.761 ( 0.288 4.701 0.768) 4.772 3.800 ( -2.594 -3.559 -2.339) 4.987 3.830 ( -2.580 0.898 -1.021) 2.916 3.896 ( 0.705 2.391 0.588) 2.562 3.920 ( 1.181 -1.336 0.946) 2.019 4.020 ( -5.268 -5.030 2.509) 7.704 4.598 ( 1.337 -0.121 -1.592) 2.083 4.631 ( 0.331 -0.412 -1.861) 1.934 4.675 ( 0.019 0.293 0.590) 0.659 4.692 ( 0.424 -0.119 0.414) 0.605 4.925 ( 0.460 -0.255 0.638) 0.827 4.961 ( -1.301 0.109 0.825) 1.545 5.043 ( 2.449 -0.849 0.020) 2.592 5.125 ( 0.137 -1.833 -1.244) 2.220 5.713 ( 0.074 -1.071 0.926) 1.418 5.744 ( 0.062 -0.597 -1.009) 1.174 5.783 ( -0.699 0.018 1.029) 1.244 5.821 ( -0.413 0.004 -0.217) 0.467 6.050 ( 0.702 1.661 0.691) 1.931 6.109 ( 0.194 0.865 -0.728) 1.147 6.116 ( -0.391 0.717 0.777) 1.127 6.164 ( -0.566 0.563 -0.545) 0.966 6.305 ( -0.654 0.097 0.454) 0.802 6.323 ( -0.625 0.142 0.059) 0.644 6.365 ( 1.824 -0.384 -0.268) 1.884 6.373 ( 1.206 -0.374 -0.292) 1.296 8.115 ( 1.842 1.902 1.856) 3.234 8.250 ( 0.078 0.747 -1.418) 1.605 8.276 ( -0.650 0.146 0.493) 0.829 8.315 ( -0.925 -0.179 -0.717) 1.184 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 16.119 4.471 2.376) 16.896 1.022 ( 15.549 9.258 7.807) 19.709 1.292 ( -0.846 2.061 -6.636) 7.000 1.392 ( -1.507 6.428 -3.848) 7.642 1.437 ( -3.317 1.765 -1.196) 3.943 1.538 ( -0.150 5.645 1.615) 5.873 1.578 ( 8.073 9.406 7.144) 14.306 1.603 ( -7.064 5.833 -1.157) 9.234 1.749 ( -2.025 8.573 1.303) 8.905 1.926 ( -0.295 -0.388 -0.477) 0.682 1.947 ( -1.222 1.337 0.395) 1.854 1.970 ( -1.889 1.632 3.105) 3.985 2.037 ( 0.689 -1.667 -0.243) 1.820 2.081 ( 0.076 1.732 -0.258) 1.753 2.118 ( -0.180 2.311 -0.039) 2.318 2.143 ( -0.793 -0.504 -0.226) 0.967 2.166 ( -0.696 3.253 -0.020) 3.326 2.198 ( -2.471 2.387 -1.994) 3.972 2.251 ( -0.608 1.373 -1.400) 2.053 2.270 ( -0.670 0.244 0.848) 1.108 2.345 ( -0.381 1.786 -0.658) 1.941 2.412 ( 1.156 4.493 0.116) 4.641 2.434 ( 0.637 2.881 -1.206) 3.188 2.443 ( -1.258 1.171 -0.678) 1.848 2.625 ( 2.931 0.632 -0.467) 3.034 2.694 ( 0.867 -1.161 -4.236) 4.477 2.726 ( -2.930 -1.738 0.320) 3.422 2.768 ( -2.445 0.866 0.678) 2.682 2.874 ( 1.151 -2.413 -0.161) 2.679 2.898 ( 0.993 -2.298 0.980) 2.688 2.940 ( 0.127 -1.841 -0.986) 2.093 2.969 ( -0.600 -2.365 0.529) 2.497 3.027 ( -0.177 0.613 -0.260) 0.689 3.138 ( -4.120 4.153 4.839) 7.592 3.198 ( 6.429 3.429 -6.256) 9.603 3.338 ( 2.132 -1.200 0.600) 2.519 3.383 ( -0.323 3.742 2.544) 4.537 3.424 ( -1.104 -0.725 2.242) 2.601 3.449 ( 3.721 -2.484 2.859) 5.309 3.474 ( 2.932 -0.249 -1.743) 3.420 3.575 ( 2.413 -3.759 -0.248) 4.473 3.644 ( -2.592 -2.973 -3.453) 5.242 3.699 ( -6.480 1.155 -2.243) 6.954 3.749 ( -3.214 -5.007 -0.839) 6.008 3.825 ( 2.246 3.138 2.281) 4.483 3.907 ( -0.305 0.085 1.728) 1.757 3.926 ( 0.415 2.608 0.995) 2.822 3.966 ( -1.134 -3.037 0.638) 3.304 4.619 ( 0.824 0.548 -0.400) 1.067 4.634 ( -0.027 0.049 -0.761) 0.763 4.674 ( 0.061 0.089 0.589) 0.599 4.692 ( -0.378 0.055 0.414) 0.564 4.934 ( 0.349 0.362 0.578) 0.766 4.944 ( -0.474 0.417 0.767) 0.994 5.087 ( 1.968 -1.324 -0.231) 2.383 5.126 ( -0.134 -1.787 -0.951) 2.029 5.730 ( 1.576 -0.378 0.187) 1.631 5.747 ( 0.270 -0.114 -0.742) 0.798 5.768 ( -0.741 0.035 0.471) 0.879 5.803 ( -1.448 -0.036 -0.388) 1.499 6.068 ( 1.070 1.459 0.568) 1.897 6.105 ( -0.648 0.822 0.485) 1.154 6.118 ( 0.538 0.919 -0.496) 1.174 6.149 ( -0.911 0.725 -0.489) 1.263 6.299 ( 0.026 0.324 0.415) 0.528 6.312 ( -0.498 0.309 0.125) 0.599 6.396 ( 1.178 -0.445 -0.350) 1.307 6.397 ( 1.117 -0.496 -0.279) 1.254 8.161 ( 2.744 1.457 1.200) 3.330 8.249 ( -0.874 0.594 -0.573) 1.202 8.261 ( -0.248 0.481 -0.038) 0.543 8.293 ( -1.220 0.094 -0.538) 1.336 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -15.675 1.176 -1.860) 15.828 1.110 ( 15.675 1.176 -1.860) 15.828 1.306 ( -12.200 8.090 3.452) 15.040 1.306 ( 12.200 8.090 3.452) 15.040 1.401 ( -4.330 0.301 -4.103) 5.973 1.401 ( 4.330 0.301 -4.103) 5.973 1.628 ( -5.412 8.883 -2.264) 10.645 1.628 ( 5.412 8.883 -2.264) 10.645 1.853 ( -8.997 7.392 6.298) 13.238 1.853 ( 8.997 7.392 6.298) 13.238 1.940 ( -1.379 2.211 0.087) 2.607 1.940 ( 1.379 2.211 0.087) 2.607 2.062 ( -1.673 -2.288 -1.365) 3.146 2.062 ( 1.673 -2.288 -1.365) 3.146 2.118 ( -0.543 1.389 0.544) 1.587 2.118 ( 0.543 1.389 0.544) 1.587 2.173 ( -0.794 1.867 -0.646) 2.130 2.173 ( 0.794 1.867 -0.646) 2.130 2.258 ( -0.842 -0.106 0.582) 1.029 2.258 ( 0.842 -0.106 0.582) 1.029 2.372 ( -3.752 1.801 -0.350) 4.177 2.372 ( 3.752 1.801 -0.350) 4.177 2.438 ( -0.920 3.891 -0.731) 4.064 2.438 ( 0.920 3.891 -0.731) 4.064 2.679 ( -2.109 -1.405 -0.614) 2.608 2.679 ( 2.109 -1.405 -0.614) 2.608 2.714 ( -2.089 1.057 1.087) 2.581 2.714 ( 2.089 1.057 1.087) 2.581 2.897 ( -0.868 -2.274 1.060) 2.655 2.897 ( 0.868 -2.274 1.060) 2.655 2.952 ( -1.163 -0.716 -0.782) 1.574 2.952 ( 1.163 -0.716 -0.782) 1.574 3.060 ( -3.478 -0.850 1.731) 3.977 3.060 ( 3.478 -0.850 1.731) 3.977 3.317 ( -4.780 7.695 -3.262) 9.629 3.317 ( 4.780 7.695 -3.262) 9.629 3.395 ( -1.841 -1.914 1.952) 3.296 3.395 ( 1.841 -1.914 1.952) 3.296 3.527 ( -0.566 -2.604 -0.319) 2.683 3.527 ( 0.566 -2.604 -0.319) 2.683 3.573 ( -3.082 -2.110 -2.997) 4.789 3.573 ( 3.083 -2.110 -2.997) 4.789 3.676 ( -4.012 -4.581 -0.472) 6.107 3.676 ( 4.012 -4.581 -0.472) 6.107 3.874 ( -2.492 1.531 2.926) 4.137 3.874 ( 2.492 1.531 2.926) 4.137 3.947 ( -1.145 1.001 -0.054) 1.521 3.947 ( 1.145 1.001 -0.054) 1.521 4.630 ( -0.393 0.482 0.188) 0.650 4.630 ( 0.393 0.482 0.188) 0.650 4.681 ( -0.606 0.099 0.345) 0.704 4.681 ( 0.606 0.099 0.345) 0.704 4.939 ( -0.207 0.588 0.639) 0.892 4.939 ( 0.207 0.588 0.639) 0.892 5.116 ( -0.983 -1.638 -0.581) 1.997 5.116 ( 0.983 -1.638 -0.581) 1.997 5.755 ( -0.439 0.096 -0.324) 0.554 5.755 ( 0.439 0.096 -0.324) 0.554 5.768 ( -1.959 -0.143 -0.171) 1.972 5.768 ( 1.959 -0.143 -0.171) 1.972 6.089 ( -1.000 1.152 0.503) 1.607 6.089 ( 1.000 1.152 0.503) 1.607 6.131 ( -0.866 0.846 -0.481) 1.303 6.131 ( 0.866 0.846 -0.481) 1.303 6.303 ( -0.372 0.394 0.281) 0.610 6.303 ( 0.372 0.394 0.281) 0.610 6.408 ( -0.062 -0.499 -0.314) 0.593 6.408 ( 0.062 -0.499 -0.314) 0.593 8.213 ( -2.465 0.927 0.540) 2.688 8.213 ( 2.465 0.927 0.540) 2.688 8.272 ( -0.948 0.384 -0.540) 1.156 8.272 ( 0.948 0.384 -0.540) 1.156 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.000 16.640 6.137) 17.736 0.922 ( 0.000 15.073 11.923) 19.218 1.332 ( 0.000 10.617 0.283) 10.621 1.472 ( 0.000 1.986 -3.627) 4.136 1.517 ( 0.000 5.150 4.168) 6.625 1.641 ( 0.000 16.270 1.120) 16.308 1.745 ( 0.000 8.217 -0.482) 8.231 1.865 ( 0.000 -3.672 -0.369) 3.690 1.882 ( 0.000 -2.682 3.767) 4.624 1.893 ( 0.000 2.379 0.894) 2.541 1.920 ( 0.000 5.893 0.135) 5.894 1.945 ( 0.000 -4.916 -0.178) 4.919 2.049 ( 0.000 -3.361 -3.754) 5.039 2.164 ( 0.000 2.369 -3.274) 4.041 2.197 ( 0.000 3.436 0.546) 3.479 2.218 ( 0.000 5.334 0.412) 5.350 2.241 ( 0.000 4.214 -1.909) 4.626 2.369 ( 0.000 5.288 3.447) 6.312 2.375 ( 0.000 0.903 0.789) 1.199 2.408 ( 0.000 3.743 0.203) 3.749 2.411 ( 0.000 3.973 0.325) 3.987 2.427 ( 0.000 2.933 0.721) 3.020 2.497 ( 0.000 7.821 -1.770) 8.019 2.540 ( 0.000 7.484 -1.221) 7.583 2.581 ( 0.000 2.443 -1.160) 2.705 2.660 ( 0.000 3.634 -6.315) 7.285 2.695 ( 0.000 -3.383 2.022) 3.941 2.738 ( 0.000 -2.552 -2.088) 3.298 2.875 ( 0.000 0.388 -3.083) 3.107 2.875 ( 0.000 -0.889 -3.111) 3.236 2.946 ( 0.000 1.209 -3.942) 4.123 2.961 ( 0.000 3.546 -7.422) 8.226 3.031 ( 0.000 -1.786 3.571) 3.992 3.047 ( 0.000 -0.998 1.579) 1.868 3.166 ( 0.000 -4.748 5.372) 7.170 3.234 ( 0.000 -2.785 2.322) 3.625 3.312 ( 0.000 -3.182 2.004) 3.760 3.395 ( 0.000 -0.172 0.666) 0.688 3.439 ( 0.000 2.409 5.169) 5.703 3.511 ( 0.000 5.216 -1.593) 5.454 3.589 ( 0.000 5.669 0.090) 5.670 3.691 ( 0.000 0.151 -1.314) 1.323 3.693 ( 0.000 -7.974 0.221) 7.977 3.780 ( 0.000 -2.338 1.669) 2.873 3.791 ( 0.000 -5.066 5.652) 7.589 3.894 ( 0.000 0.897 -3.928) 4.029 3.948 ( 0.000 1.092 -2.189) 2.446 4.000 ( 0.000 -6.484 -0.324) 6.492 4.566 ( 0.000 -0.164 -0.406) 0.438 4.610 ( 0.000 -1.016 -2.507) 2.705 4.688 ( 0.000 1.268 0.516) 1.369 4.691 ( 0.000 0.528 1.018) 1.147 4.905 ( 0.000 -0.806 0.810) 1.142 4.975 ( 0.000 -1.484 -0.957) 1.766 4.992 ( 0.000 -0.337 1.074) 1.125 5.072 ( 0.000 -3.300 -0.870) 3.412 5.685 ( 0.000 -1.247 0.810) 1.487 5.719 ( 0.000 -1.464 -0.769) 1.654 5.798 ( 0.000 0.659 0.812) 1.046 5.826 ( 0.000 0.184 -0.310) 0.361 6.087 ( 0.000 2.570 0.448) 2.609 6.127 ( 0.000 1.085 -0.540) 1.213 6.134 ( 0.000 0.614 1.221) 1.367 6.179 ( 0.000 0.472 -0.306) 0.563 6.317 ( 0.000 -0.005 0.225) 0.225 6.330 ( 0.000 -0.475 -0.134) 0.493 6.333 ( 0.000 0.019 0.119) 0.120 6.352 ( 0.000 -0.382 -0.348) 0.517 8.150 ( 0.000 3.220 1.648) 3.617 8.268 ( 0.000 0.893 -1.138) 1.446 8.284 ( 0.000 0.150 0.456) 0.480 8.317 ( 0.000 -0.515 -0.642) 0.823 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.468 17.275 6.143) 18.340 0.997 ( 7.384 12.708 10.519) 18.074 1.360 ( 1.556 6.520 -4.189) 7.904 1.479 ( 1.027 3.807 -0.359) 3.960 1.562 ( 2.281 0.400 2.760) 3.603 1.641 ( -0.638 12.115 -2.789) 12.448 1.747 ( 1.023 11.881 1.252) 11.991 1.824 ( 0.057 4.085 1.716) 4.431 1.854 ( -4.803 4.035 0.868) 6.333 1.878 ( 0.214 -2.832 1.120) 3.053 1.947 ( 1.747 -0.166 0.365) 1.793 1.961 ( 0.615 -3.255 1.237) 3.536 2.065 ( 0.805 -1.674 -2.990) 3.520 2.129 ( -3.249 1.537 -2.093) 4.159 2.179 ( -1.793 3.785 0.109) 4.190 2.198 ( -0.380 3.871 0.409) 3.911 2.257 ( 0.671 3.874 -1.292) 4.139 2.317 ( -4.180 2.075 -0.049) 4.667 2.357 ( -3.885 3.721 0.144) 5.381 2.363 ( -2.167 5.748 1.096) 6.240 2.412 ( -0.803 3.648 0.601) 3.783 2.459 ( 1.797 2.037 0.212) 2.724 2.490 ( 0.462 5.548 -1.255) 5.706 2.515 ( -1.110 5.918 -0.747) 6.067 2.600 ( 1.583 1.753 -0.425) 2.400 2.679 ( 1.385 2.707 -3.256) 4.455 2.727 ( -0.739 -0.894 -1.950) 2.269 2.750 ( 3.748 -2.388 1.156) 4.592 2.854 ( -2.101 -0.279 -2.360) 3.172 2.863 ( -0.774 1.945 -2.321) 3.126 2.908 ( -0.113 -1.689 -2.443) 2.972 2.994 ( -2.942 0.613 1.304) 3.276 3.041 ( 1.066 -1.257 1.042) 1.950 3.072 ( 6.109 1.397 -6.339) 8.914 3.220 ( 3.634 -4.709 4.950) 7.738 3.281 ( 2.824 0.388 1.490) 3.216 3.320 ( 1.822 -4.970 1.648) 5.544 3.392 ( -3.196 4.149 4.523) 6.920 3.410 ( 0.379 -0.436 0.908) 1.077 3.516 ( -0.741 3.273 -0.855) 3.463 3.568 ( -0.435 3.518 -0.407) 3.568 3.659 ( -2.431 -3.463 0.613) 4.275 3.700 ( -0.065 -2.775 -2.374) 3.653 3.787 ( -1.982 -5.995 -0.763) 6.360 3.831 ( 3.050 -2.513 2.573) 4.716 3.841 ( -2.510 0.469 -1.081) 2.773 3.936 ( -2.752 -1.645 2.983) 4.379 3.968 ( 0.198 0.541 -1.050) 1.198 4.595 ( 2.117 -0.170 -1.340) 2.512 4.620 ( 0.886 -0.676 -2.115) 2.391 4.684 ( -0.449 0.476 1.001) 1.196 4.695 ( 0.338 0.670 0.780) 1.082 4.918 ( 1.174 -0.369 0.661) 1.397 4.959 ( -0.661 -0.338 -0.039) 0.743 5.020 ( 1.790 -1.469 0.123) 2.319 5.075 ( 0.239 -3.172 -0.851) 3.293 5.694 ( 1.007 -0.797 0.590) 1.413 5.725 ( 0.643 -1.153 -0.772) 1.529 5.791 ( -0.669 0.727 0.672) 1.195 5.822 ( -0.504 0.105 -0.278) 0.585 6.092 ( 0.519 2.458 0.398) 2.543 6.127 ( -0.017 0.947 0.007) 0.948 6.133 ( 0.053 0.956 0.524) 1.091 6.176 ( -0.360 0.586 -0.339) 0.766 6.308 ( -0.298 0.238 0.322) 0.500 6.327 ( -0.362 0.275 -0.055) 0.458 6.354 ( 1.618 -0.687 -0.121) 1.762 6.364 ( 1.036 -0.534 -0.349) 1.217 8.164 ( 1.388 2.944 1.429) 3.555 8.268 ( -0.001 0.870 -1.041) 1.356 8.280 ( -0.384 0.289 0.390) 0.619 8.310 ( -0.637 -0.339 -0.548) 0.906 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 8.725 12.671 3.477) 15.773 1.187 ( 11.643 8.076 7.777) 16.164 1.363 ( -2.862 4.554 -5.432) 7.644 1.487 ( -4.289 3.613 -2.484) 6.133 1.494 ( -2.208 4.576 0.142) 5.083 1.622 ( -5.072 4.786 1.273) 7.089 1.761 ( 0.288 7.528 -4.040) 8.548 1.837 ( 5.673 8.679 2.989) 10.791 1.887 ( 2.745 0.381 -1.541) 3.171 1.901 ( 3.186 3.676 2.624) 5.527 1.949 ( -1.306 -0.502 -0.454) 1.471 1.966 ( 0.318 -1.240 1.748) 2.166 2.034 ( -3.075 1.760 -0.428) 3.569 2.083 ( -2.864 -2.893 -0.889) 4.167 2.162 ( 0.245 4.253 -0.340) 4.273 2.185 ( -0.664 3.594 0.320) 3.669 2.246 ( -2.660 2.538 -1.348) 3.916 2.257 ( -1.239 5.455 0.078) 5.595 2.283 ( -1.913 1.412 -0.249) 2.390 2.317 ( -2.272 4.787 -1.654) 5.551 2.384 ( -1.132 1.582 1.516) 2.466 2.463 ( -1.435 0.493 0.567) 1.620 2.512 ( 1.067 5.256 -0.781) 5.419 2.528 ( 1.436 6.306 -1.375) 6.612 2.627 ( 1.108 0.591 0.609) 1.396 2.687 ( -0.743 -1.122 2.082) 2.479 2.715 ( 0.093 2.769 -1.551) 3.175 2.805 ( -0.322 1.919 1.641) 2.545 2.839 ( 1.673 -1.009 -0.374) 1.989 2.853 ( 1.236 -0.489 -1.021) 1.677 2.919 ( -0.153 0.779 -0.772) 1.108 2.942 ( -1.235 -0.126 0.388) 1.301 3.061 ( 0.758 2.029 -0.586) 2.244 3.191 ( 1.393 -3.006 -0.277) 3.325 3.231 ( 1.203 2.457 0.397) 2.764 3.308 ( 1.564 -2.415 2.818) 4.027 3.343 ( 0.570 -4.555 2.049) 5.027 3.409 ( 2.630 0.164 0.015) 2.635 3.436 ( 3.526 0.852 -1.322) 3.861 3.485 ( -1.733 -0.990 -1.322) 2.393 3.556 ( -2.222 -1.179 -0.016) 2.515 3.614 ( -2.508 1.925 -0.203) 3.168 3.668 ( -5.175 -2.617 -3.495) 6.771 3.686 ( -2.107 -1.804 -4.654) 5.418 3.856 ( 1.533 -0.137 3.721) 4.026 3.881 ( 0.866 -1.373 2.354) 2.859 3.913 ( 1.184 -2.356 2.415) 3.576 3.970 ( -0.332 0.738 -0.215) 0.838 4.630 ( 1.400 0.534 -0.542) 1.593 4.635 ( 0.626 0.063 -0.862) 1.068 4.677 ( -0.204 0.143 0.686) 0.730 4.695 ( -0.386 0.335 0.700) 0.867 4.941 ( 1.023 0.422 0.448) 1.193 4.953 ( -0.026 0.433 0.224) 0.489 5.052 ( 1.458 -2.132 -0.243) 2.594 5.079 ( 0.034 -2.914 -0.754) 3.010 5.724 ( 2.034 -0.220 0.132) 2.050 5.741 ( 0.918 -0.417 -0.643) 1.196 5.776 ( -0.853 0.680 0.306) 1.133 5.804 ( -1.479 0.071 -0.348) 1.521 6.104 ( 0.709 2.124 0.344) 2.266 6.125 ( -0.254 1.154 0.533) 1.296 6.139 ( 0.491 1.100 -0.219) 1.224 6.165 ( -0.710 0.833 -0.308) 1.137 6.308 ( 0.254 0.637 0.296) 0.747 6.320 ( -0.287 0.585 0.041) 0.653 6.383 ( 1.170 -0.861 -0.243) 1.473 6.385 ( 0.936 -0.742 -0.320) 1.237 8.198 ( 2.041 2.235 0.931) 3.167 8.263 ( -0.861 0.815 -0.181) 1.199 8.273 ( 0.044 0.645 -0.246) 0.692 8.295 ( -0.828 0.068 -0.402) 0.923 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -12.418 6.157 0.192) 13.863 1.185 ( 12.418 6.157 0.192) 13.863 1.413 ( -9.692 4.198 1.175) 10.628 1.413 ( 9.692 4.198 1.175) 10.628 1.483 ( -1.921 7.051 0.135) 7.310 1.483 ( 1.921 7.051 0.135) 7.310 1.834 ( -4.865 8.905 -5.141) 11.376 1.834 ( 4.865 8.905 -5.141) 11.376 1.942 ( -1.304 -0.630 0.780) 1.645 1.942 ( 1.304 -0.630 0.780) 1.645 1.966 ( -1.472 1.323 1.546) 2.511 1.966 ( 1.472 1.323 1.546) 2.511 2.003 ( -3.538 -2.909 0.986) 4.685 2.003 ( 3.538 -2.909 0.986) 4.685 2.175 ( -0.810 3.952 -0.114) 4.036 2.175 ( 0.810 3.952 -0.114) 4.036 2.228 ( -0.971 4.818 0.304) 4.924 2.228 ( 0.971 4.818 0.304) 4.924 2.285 ( -0.931 2.209 -1.692) 2.934 2.285 ( 0.931 2.209 -1.692) 2.934 2.407 ( -3.465 0.939 0.881) 3.697 2.407 ( 3.465 0.939 0.881) 3.697 2.531 ( -0.748 5.277 -1.172) 5.457 2.531 ( 0.748 5.277 -1.172) 5.457 2.652 ( -1.704 -0.076 1.137) 2.050 2.652 ( 1.704 -0.076 1.137) 2.050 2.760 ( -3.261 3.555 2.191) 5.299 2.760 ( 3.261 3.555 2.191) 5.299 2.872 ( -1.737 0.691 0.419) 1.916 2.872 ( 1.737 0.691 0.419) 1.916 2.925 ( -2.261 -1.505 -0.755) 2.819 2.925 ( 2.261 -1.505 -0.755) 2.819 3.102 ( -4.332 3.540 1.866) 5.897 3.102 ( 4.332 3.540 1.866) 5.897 3.328 ( -2.339 -4.457 1.013) 5.135 3.328 ( 2.339 -4.457 1.013) 5.135 3.376 ( -5.070 -4.028 -0.722) 6.515 3.376 ( 5.070 -4.028 -0.722) 6.515 3.487 ( -2.595 -3.266 -0.247) 4.179 3.487 ( 2.595 -3.266 -0.247) 4.179 3.536 ( -4.520 3.770 -3.251) 6.724 3.536 ( 4.520 3.770 -3.251) 6.724 3.648 ( -1.555 0.484 -3.634) 3.982 3.648 ( 1.555 0.484 -3.634) 3.982 3.878 ( -0.720 -1.014 4.161) 4.342 3.878 ( 0.720 -1.014 4.161) 4.342 3.951 ( -1.746 -0.882 0.389) 1.994 3.951 ( 1.746 -0.882 0.389) 1.994 4.643 ( -0.069 0.772 0.114) 0.783 4.643 ( 0.069 0.772 0.114) 0.783 4.683 ( -0.759 0.005 0.401) 0.858 4.683 ( 0.759 0.005 0.401) 0.858 4.953 ( -0.209 0.795 0.336) 0.887 4.953 ( 0.209 0.795 0.336) 0.887 5.073 ( -0.678 -2.593 -0.546) 2.736 5.073 ( 0.678 -2.593 -0.546) 2.736 5.758 ( -0.813 0.289 -0.288) 0.909 5.758 ( 0.813 0.289 -0.288) 0.909 5.767 ( -2.084 0.049 -0.191) 2.093 5.767 ( 2.084 0.049 -0.191) 2.093 6.117 ( -0.549 1.644 0.422) 1.784 6.117 ( 0.549 1.644 0.422) 1.784 6.151 ( -0.751 1.016 -0.275) 1.293 6.151 ( 0.751 1.016 -0.275) 1.293 6.315 ( -0.343 0.761 0.184) 0.854 6.315 ( 0.343 0.761 0.184) 0.854 6.394 ( -0.012 -0.865 -0.288) 0.912 6.394 ( 0.012 -0.865 -0.288) 0.912 8.236 ( -1.790 1.412 0.431) 2.320 8.236 ( 1.790 1.412 0.431) 2.320 8.281 ( -0.626 0.468 -0.403) 0.879 8.281 ( 0.626 0.468 -0.403) 0.879 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.000 12.587 1.328) 12.657 1.190 ( 0.000 11.754 5.723) 13.073 1.470 ( 0.000 6.235 -5.315) 8.193 1.500 ( 0.000 1.642 2.895) 3.328 1.561 ( 0.000 1.150 6.814) 6.910 1.746 ( 0.000 -5.000 -0.727) 5.053 1.817 ( 0.000 -5.754 -0.797) 5.809 1.826 ( 0.000 -1.169 4.401) 4.554 1.867 ( 0.000 -3.392 -0.073) 3.393 1.940 ( 0.000 1.142 -2.076) 2.369 1.952 ( 0.000 8.169 -3.001) 8.703 1.981 ( 0.000 0.865 -0.647) 1.080 2.091 ( 0.000 7.390 3.776) 8.299 2.169 ( 0.000 -1.601 -2.822) 3.244 2.236 ( 0.000 2.760 -0.710) 2.850 2.314 ( 0.000 4.029 0.291) 4.039 2.347 ( 0.000 6.882 -2.117) 7.200 2.365 ( 0.000 -1.287 1.984) 2.365 2.458 ( 0.000 0.812 1.765) 1.943 2.460 ( 0.000 1.489 0.195) 1.501 2.486 ( 0.000 5.344 0.801) 5.404 2.513 ( 0.000 5.855 1.485) 6.041 2.604 ( 0.000 0.160 -2.115) 2.121 2.641 ( 0.000 1.960 -0.332) 1.988 2.646 ( 0.000 1.715 -1.234) 2.113 2.680 ( 0.000 4.765 1.260) 4.929 2.718 ( 0.000 5.965 -0.650) 6.001 2.770 ( 0.000 2.873 -2.501) 3.809 2.840 ( 0.000 -1.505 -1.163) 1.902 2.862 ( 0.000 -2.298 -0.404) 2.334 2.958 ( 0.000 -1.789 -0.186) 1.799 2.991 ( 0.000 -2.429 0.973) 2.617 3.021 ( 0.000 2.240 -5.761) 6.181 3.033 ( 0.000 -0.101 1.074) 1.078 3.162 ( 0.000 4.314 0.121) 4.316 3.201 ( 0.000 1.293 -1.986) 2.370 3.304 ( 0.000 1.154 -1.646) 2.011 3.370 ( 0.000 -2.973 -4.357) 5.275 3.474 ( 0.000 -2.760 4.337) 5.141 3.554 ( 0.000 0.377 2.252) 2.283 3.588 ( 0.000 1.431 0.554) 1.535 3.632 ( 0.000 -4.401 4.466) 6.270 3.668 ( 0.000 -2.465 3.531) 4.306 3.744 ( 0.000 -3.139 -3.708) 4.858 3.749 ( 0.000 4.088 3.635) 5.471 3.832 ( 0.000 -4.195 -0.929) 4.297 3.931 ( 0.000 -2.343 -2.393) 3.349 3.933 ( 0.000 -1.467 0.374) 1.514 4.566 ( 0.000 0.246 -1.321) 1.344 4.590 ( 0.000 -0.928 -2.632) 2.791 4.706 ( 0.000 0.937 1.386) 1.673 4.714 ( 0.000 1.089 0.896) 1.410 4.898 ( 0.000 0.388 0.599) 0.713 4.952 ( 0.000 -0.686 -0.726) 0.999 4.977 ( 0.000 -1.132 0.227) 1.155 5.001 ( 0.000 -3.872 -0.286) 3.882 5.671 ( 0.000 -0.173 0.498) 0.528 5.693 ( 0.000 -1.114 -0.247) 1.141 5.812 ( 0.000 0.714 0.198) 0.741 5.828 ( 0.000 -0.032 -0.351) 0.352 6.135 ( 0.000 2.147 0.174) 2.154 6.145 ( 0.000 0.677 -0.032) 0.678 6.146 ( 0.000 0.677 0.959) 1.174 6.184 ( 0.000 -0.133 -0.175) 0.220 6.316 ( 0.000 -0.068 0.191) 0.203 6.321 ( 0.000 -0.424 0.082) 0.432 6.334 ( 0.000 0.142 -0.152) 0.208 6.345 ( 0.000 -0.361 -0.426) 0.558 8.213 ( 0.000 3.031 0.987) 3.187 8.278 ( 0.000 -0.033 -0.429) 0.430 8.288 ( 0.000 0.296 0.206) 0.360 8.305 ( 0.000 -0.619 -0.480) 0.783 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.17 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.804 14.056 2.164) 14.244 1.228 ( 3.901 10.398 5.363) 12.332 1.461 ( -0.472 2.417 -2.889) 3.797 1.544 ( 2.828 3.288 1.011) 4.453 1.567 ( 1.250 2.092 3.401) 4.184 1.731 ( -1.517 -1.049 0.074) 1.845 1.785 ( -0.838 -3.292 -0.519) 3.436 1.845 ( -1.888 -1.832 -1.504) 3.031 1.870 ( 1.332 -3.366 1.279) 3.839 1.911 ( -0.885 1.082 -0.747) 1.585 1.974 ( -0.482 2.602 -0.186) 2.653 1.982 ( -0.092 1.273 -1.001) 1.622 2.071 ( -1.094 2.744 0.921) 3.094 2.155 ( -0.535 -0.912 -0.733) 1.286 2.219 ( -2.254 4.162 -0.844) 4.807 2.291 ( -1.573 4.178 0.670) 4.514 2.318 ( -2.273 1.829 0.030) 2.918 2.360 ( -0.768 4.168 -0.592) 4.279 2.427 ( -2.192 2.767 0.586) 3.579 2.462 ( -1.061 -0.010 1.233) 1.626 2.475 ( -2.586 2.462 0.319) 3.584 2.495 ( -2.209 6.475 1.825) 7.081 2.567 ( 0.322 1.426 -1.327) 1.975 2.608 ( -1.825 2.095 -0.359) 2.802 2.671 ( 0.849 -0.980 0.506) 1.392 2.684 ( 0.724 7.406 0.102) 7.442 2.746 ( 0.154 -0.871 -1.576) 1.807 2.794 ( 2.293 4.165 -2.741) 5.488 2.821 ( -0.142 1.594 0.810) 1.794 2.879 ( 2.365 -0.730 -0.101) 2.477 2.955 ( -1.381 3.970 -3.475) 5.453 2.992 ( 0.747 -1.995 -1.698) 2.724 3.042 ( 0.954 1.564 0.062) 1.833 3.064 ( 3.535 -1.941 0.405) 4.053 3.153 ( 1.389 -0.284 2.799) 3.137 3.261 ( 0.501 -0.674 -2.473) 2.612 3.326 ( 3.870 2.762 -2.151) 5.218 3.372 ( 0.160 -3.272 -3.364) 4.695 3.457 ( -1.643 -1.230 3.393) 3.966 3.532 ( -1.573 2.603 2.948) 4.236 3.564 ( -3.315 -2.867 1.060) 4.509 3.629 ( -0.018 -3.664 1.837) 4.099 3.666 ( 0.104 -0.173 -1.343) 1.358 3.716 ( -2.565 1.832 2.577) 4.071 3.774 ( 2.328 -4.101 -1.617) 4.985 3.825 ( 0.230 -1.116 2.229) 2.503 3.911 ( -1.132 -0.976 0.476) 1.568 3.957 ( 0.939 -1.662 -1.484) 2.418 4.593 ( 2.266 -0.007 -1.565) 2.754 4.607 ( 1.480 -0.649 -2.303) 2.813 4.696 ( -0.787 0.851 1.597) 1.974 4.713 ( -0.218 0.722 1.081) 1.318 4.917 ( 1.728 0.504 0.359) 1.835 4.953 ( 0.233 -0.081 -0.392) 0.463 4.990 ( 1.062 -1.614 -0.047) 1.933 5.008 ( 0.650 -3.536 -0.376) 3.615 5.686 ( 1.464 -0.026 0.357) 1.507 5.705 ( 1.182 -0.881 -0.307) 1.506 5.806 ( -0.593 0.771 0.156) 0.985 5.823 ( -0.555 -0.051 -0.302) 0.634 6.137 ( 0.202 1.849 0.181) 1.869 6.145 ( 0.088 0.926 0.361) 0.998 6.149 ( 0.244 0.662 0.441) 0.833 6.182 ( -0.146 -0.027 -0.178) 0.232 6.314 ( 0.247 0.419 0.210) 0.529 6.333 ( 0.038 0.381 -0.204) 0.433 6.339 ( 1.267 -0.768 0.013) 1.482 6.353 ( 0.754 -0.573 -0.373) 1.017 8.221 ( 0.824 2.742 0.859) 2.989 8.278 ( 0.057 0.051 -0.398) 0.405 8.287 ( -0.192 0.357 0.175) 0.442 8.302 ( -0.310 -0.465 -0.406) 0.691 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 3.766 13.760 2.592) 14.500 1.336 ( 6.869 7.025 4.075) 10.637 1.441 ( -2.073 3.166 -1.989) 4.275 1.557 ( -0.312 2.399 0.145) 2.424 1.609 ( 0.710 6.669 -1.010) 6.782 1.719 ( -2.798 3.485 -1.259) 4.643 1.756 ( -0.359 -1.980 0.718) 2.136 1.812 ( 1.322 -3.862 -1.857) 4.484 1.866 ( -0.905 -5.171 1.321) 5.413 1.913 ( -0.304 -4.477 -0.521) 4.518 1.956 ( -1.824 1.270 -3.211) 3.905 1.972 ( -0.421 -2.163 1.409) 2.615 2.045 ( -0.439 2.312 0.038) 2.354 2.158 ( -3.245 7.093 0.506) 7.816 2.188 ( 3.119 -1.853 -0.996) 3.762 2.266 ( -1.356 5.046 0.393) 5.240 2.278 ( -1.287 0.003 -0.238) 1.309 2.330 ( -2.447 3.317 0.056) 4.123 2.384 ( -2.659 1.164 0.157) 2.907 2.396 ( -3.241 4.447 -1.081) 5.608 2.417 ( -2.472 3.723 0.940) 4.567 2.461 ( -1.751 1.361 1.325) 2.583 2.579 ( -0.741 0.704 0.232) 1.048 2.601 ( -0.248 -0.561 -0.376) 0.720 2.671 ( 1.359 1.307 1.253) 2.264 2.710 ( 1.263 6.928 1.091) 7.126 2.770 ( 4.165 0.095 0.047) 4.166 2.840 ( 2.366 3.767 -1.532) 4.704 2.862 ( 2.747 4.917 0.295) 5.640 2.901 ( -0.815 1.844 -2.438) 3.164 2.937 ( 0.231 1.908 -0.768) 2.070 2.990 ( -1.880 2.778 -0.311) 3.369 3.073 ( 2.491 -1.221 -0.253) 2.786 3.125 ( 1.455 -1.970 -1.601) 2.926 3.198 ( 2.200 -4.578 3.208) 6.008 3.229 ( -0.837 -3.019 3.171) 4.458 3.333 ( -2.693 -0.175 -1.810) 3.250 3.391 ( -3.101 0.636 0.904) 3.292 3.446 ( 1.914 -1.084 -2.011) 2.980 3.476 ( -3.170 -2.691 1.869) 4.559 3.532 ( 2.120 3.418 -0.456) 4.048 3.638 ( 0.811 -2.501 -1.798) 3.186 3.661 ( -1.261 0.811 -1.472) 2.101 3.669 ( -1.752 1.598 -0.813) 2.507 3.831 ( 0.875 -2.213 4.161) 4.794 3.840 ( 3.545 -2.868 0.086) 4.561 3.891 ( -0.979 0.552 0.892) 1.435 3.957 ( -1.057 -1.760 -0.842) 2.219 4.636 ( 1.583 0.019 -0.742) 1.749 4.637 ( 1.855 0.094 -1.083) 2.150 4.682 ( -0.674 0.484 1.286) 1.530 4.702 ( -0.891 0.163 1.082) 1.411 4.951 ( 1.509 0.701 0.020) 1.664 4.962 ( 0.624 0.582 -0.129) 0.863 5.011 ( 0.991 -1.999 -0.277) 2.248 5.020 ( 0.509 -2.863 -0.500) 2.951 5.723 ( 2.332 0.177 0.041) 2.339 5.734 ( 1.700 -0.288 -0.362) 1.762 5.790 ( -1.061 0.731 0.012) 1.289 5.805 ( -1.404 0.008 -0.301) 1.436 6.142 ( 0.288 1.397 0.242) 1.447 6.148 ( 0.130 1.278 0.368) 1.336 6.156 ( 0.425 0.590 0.165) 0.745 6.177 ( -0.462 0.224 -0.119) 0.527 6.323 ( 0.583 0.919 0.134) 1.097 6.334 ( 0.042 0.805 -0.090) 0.811 6.364 ( 1.063 -1.050 -0.148) 1.501 6.369 ( 0.713 -0.885 -0.304) 1.177 8.241 ( 1.193 2.032 0.560) 2.422 8.278 ( -0.389 0.612 -0.117) 0.734 8.282 ( 0.011 0.190 -0.034) 0.193 8.295 ( -0.422 -0.141 -0.267) 0.519 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -5.788 8.775 1.977) 10.696 1.334 ( 5.788 8.775 1.977) 10.696 1.506 ( -6.943 4.331 -1.585) 8.335 1.506 ( 6.943 4.331 -1.585) 8.335 1.619 ( -2.529 6.295 0.720) 6.822 1.619 ( 2.529 6.295 0.720) 6.822 1.822 ( -3.209 -5.991 -1.289) 6.917 1.822 ( 3.209 -5.991 -1.289) 6.917 1.879 ( -4.733 -3.840 -0.738) 6.139 1.879 ( 4.733 -3.840 -0.738) 6.139 1.939 ( -1.933 -3.365 -0.485) 3.910 1.939 ( 1.933 -3.365 -0.485) 3.910 2.092 ( -3.695 7.311 0.492) 8.207 2.092 ( 3.695 7.311 0.492) 8.207 2.238 ( -1.638 1.672 -1.221) 2.640 2.238 ( 1.638 1.672 -1.221) 2.640 2.282 ( -1.661 0.800 0.845) 2.028 2.282 ( 1.661 0.800 0.845) 2.028 2.355 ( -0.423 2.088 -1.061) 2.380 2.355 ( 0.423 2.088 -1.061) 2.380 2.420 ( -2.058 2.971 1.119) 3.783 2.420 ( 2.058 2.971 1.119) 3.783 2.574 ( -0.758 -1.151 0.717) 1.553 2.574 ( 0.758 -1.151 0.717) 1.553 2.720 ( -1.187 6.120 0.648) 6.268 2.720 ( 1.187 6.120 0.648) 6.268 2.844 ( -3.106 3.383 -0.524) 4.622 2.844 ( 3.106 3.383 -0.524) 4.622 2.906 ( -3.267 1.666 0.088) 3.668 2.906 ( 3.267 1.666 0.088) 3.668 2.935 ( -3.025 4.094 -0.052) 5.090 2.935 ( 3.025 4.094 -0.053) 5.090 3.109 ( -1.348 -4.315 -0.629) 4.564 3.109 ( 1.348 -4.315 -0.629) 4.564 3.246 ( -3.019 -6.553 1.829) 7.443 3.246 ( 3.019 -6.553 1.829) 7.443 3.301 ( -3.495 2.689 1.252) 4.584 3.301 ( 3.495 2.689 1.252) 4.584 3.459 ( -0.157 0.026 0.321) 0.359 3.459 ( 0.157 0.026 0.321) 0.359 3.603 ( -3.880 1.244 -2.498) 4.779 3.603 ( 3.880 1.244 -2.498) 4.779 3.654 ( -0.601 -0.303 -2.461) 2.551 3.654 ( 0.601 -0.303 -2.461) 2.551 3.855 ( -1.526 -0.423 3.236) 3.603 3.855 ( 1.526 -0.423 3.236) 3.603 3.917 ( -2.923 -2.278 -0.477) 3.737 3.917 ( 2.923 -2.279 -0.477) 3.737 4.657 ( -0.531 0.668 0.292) 0.902 4.657 ( 0.531 0.668 0.292) 0.902 4.680 ( -1.099 -0.287 0.502) 1.242 4.680 ( 1.099 -0.287 0.502) 1.242 4.968 ( -0.208 0.825 -0.098) 0.857 4.968 ( 0.208 0.825 -0.098) 0.857 5.023 ( -0.254 -2.322 -0.453) 2.380 5.023 ( 0.254 -2.322 -0.453) 2.380 5.765 ( -1.433 0.369 -0.227) 1.497 5.765 ( 1.433 0.369 -0.227) 1.497 5.770 ( -2.037 0.149 -0.229) 2.055 5.770 ( 2.037 0.149 -0.229) 2.055 6.147 ( -0.186 1.332 0.321) 1.382 6.147 ( 0.186 1.332 0.321) 1.382 6.166 ( -0.608 0.431 -0.012) 0.746 6.166 ( 0.608 0.431 -0.012) 0.746 6.332 ( -0.279 1.044 0.028) 1.081 6.332 ( 0.279 1.044 0.028) 1.081 6.375 ( -0.095 -1.068 -0.236) 1.098 6.375 ( 0.095 -1.068 -0.236) 1.098 8.263 ( -1.017 1.256 0.255) 1.636 8.263 ( 1.017 1.256 0.255) 1.636 8.287 ( -0.365 0.090 -0.202) 0.426 8.287 ( 0.365 0.090 -0.202) 0.426 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 -0.453 -1.630) 1.692 1.327 ( 0.000 0.453 -1.630) 1.692 1.537 ( 0.000 -2.622 8.260) 8.666 1.537 ( 0.000 2.622 8.260) 8.666 1.612 ( 0.000 -8.220 -2.580) 8.615 1.612 ( 0.000 8.220 -2.580) 8.615 1.782 ( 0.000 -2.644 0.666) 2.726 1.782 ( 0.000 2.644 0.666) 2.726 1.863 ( 0.000 -3.983 1.990) 4.453 1.863 ( 0.000 3.983 1.990) 4.453 2.047 ( 0.000 -0.302 -4.990) 4.999 2.047 ( 0.000 0.302 -4.990) 4.999 2.127 ( 0.000 -1.032 0.809) 1.311 2.127 ( 0.000 1.032 0.809) 1.311 2.302 ( 0.000 -3.134 1.425) 3.443 2.302 ( 0.000 3.134 1.425) 3.443 2.400 ( 0.000 -2.466 -0.134) 2.469 2.400 ( 0.000 2.466 -0.134) 2.469 2.465 ( 0.000 -0.945 0.488) 1.063 2.465 ( 0.000 0.945 0.488) 1.063 2.575 ( 0.000 -2.539 -1.351) 2.876 2.575 ( 0.000 2.539 -1.351) 2.876 2.620 ( 0.000 -3.991 -0.137) 3.993 2.620 ( 0.000 3.991 -0.137) 3.993 2.709 ( 0.000 -5.665 1.028) 5.757 2.709 ( 0.000 5.665 1.028) 5.757 2.805 ( 0.000 -0.409 -1.106) 1.179 2.805 ( 0.000 0.409 -1.106) 1.179 2.867 ( 0.000 -7.551 -0.223) 7.554 2.867 ( 0.000 7.551 -0.223) 7.554 2.895 ( 0.000 -2.325 1.406) 2.717 2.895 ( 0.000 2.325 1.406) 2.717 3.043 ( 0.000 -0.319 -0.665) 0.737 3.043 ( 0.000 0.319 -0.665) 0.737 3.261 ( 0.000 -4.447 -3.533) 5.679 3.261 ( 0.000 4.447 -3.533) 5.679 3.277 ( 0.000 -5.443 -3.765) 6.618 3.277 ( 0.000 5.443 -3.765) 6.618 3.506 ( 0.000 -6.083 1.003) 6.165 3.506 ( 0.000 6.083 1.003) 6.165 3.609 ( 0.000 -1.092 7.395) 7.475 3.609 ( 0.000 1.092 7.395) 7.475 3.647 ( 0.000 -3.585 -1.648) 3.946 3.647 ( 0.000 3.585 -1.648) 3.946 3.816 ( 0.000 -0.595 0.919) 1.095 3.816 ( 0.000 0.595 0.919) 1.095 3.900 ( 0.000 -0.759 -1.155) 1.382 3.900 ( 0.000 0.759 -1.155) 1.382 4.575 ( 0.000 -0.621 -2.233) 2.318 4.575 ( 0.000 0.621 -2.233) 2.318 4.721 ( 0.000 -0.401 1.353) 1.411 4.721 ( 0.000 0.401 1.353) 1.411 4.928 ( 0.000 -2.658 -0.069) 2.659 4.928 ( 0.000 2.658 -0.069) 2.659 4.957 ( 0.000 -0.570 -0.132) 0.585 4.957 ( 0.000 0.570 -0.132) 0.585 5.676 ( 0.000 -0.619 0.199) 0.650 5.676 ( 0.000 0.619 0.199) 0.650 5.824 ( 0.000 -0.428 -0.202) 0.473 5.824 ( 0.000 0.428 -0.202) 0.473 6.151 ( 0.000 -0.054 0.511) 0.514 6.151 ( 0.000 0.054 0.511) 0.514 6.171 ( 0.000 -1.202 -0.049) 1.203 6.171 ( 0.000 1.202 -0.049) 1.203 6.316 ( 0.000 -0.120 0.167) 0.206 6.316 ( 0.000 0.120 0.167) 0.206 6.338 ( 0.000 -0.268 -0.343) 0.436 6.338 ( 0.000 0.268 -0.343) 0.436 8.261 ( 0.000 -1.760 0.345) 1.794 8.261 ( 0.000 1.760 0.345) 1.794 8.295 ( 0.000 -0.403 -0.209) 0.454 8.295 ( 0.000 0.403 -0.209) 0.454 ======================= Grid point 93 (38/60) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 2.883 -0.788 -0.617) 3.052 1.356 ( 2.883 0.788 -0.617) 3.052 1.503 ( -1.596 -4.904 4.747) 7.010 1.503 ( -1.596 4.904 4.747) 7.010 1.673 ( 4.180 -5.638 -0.954) 7.084 1.673 ( 4.180 5.639 -0.954) 7.084 1.770 ( -1.130 -2.931 -0.196) 3.148 1.770 ( -1.130 2.931 -0.196) 3.148 1.864 ( -0.410 -3.549 1.859) 4.027 1.864 ( -0.410 3.549 1.859) 4.027 2.020 ( -3.360 -2.397 -4.421) 6.048 2.020 ( -3.360 2.397 -4.421) 6.048 2.100 ( -1.094 -2.803 0.955) 3.157 2.100 ( -1.094 2.803 0.955) 3.157 2.288 ( -1.515 -2.302 1.284) 3.040 2.288 ( -1.515 2.302 1.284) 3.040 2.386 ( -1.251 -3.002 -0.390) 3.275 2.386 ( -1.251 3.001 -0.390) 3.275 2.445 ( -2.380 -0.876 0.886) 2.686 2.445 ( -2.380 0.876 0.886) 2.686 2.558 ( -1.503 -2.567 -1.113) 3.176 2.558 ( -1.502 2.567 -1.113) 3.176 2.596 ( -2.160 -3.020 0.393) 3.734 2.596 ( -2.160 3.020 0.393) 3.734 2.679 ( -1.091 -3.021 1.171) 3.419 2.679 ( -1.091 3.021 1.171) 3.419 2.841 ( 2.928 -1.364 -1.644) 3.624 2.841 ( 2.928 1.364 -1.644) 3.624 2.878 ( 0.725 -8.949 -0.606) 8.999 2.878 ( 0.725 8.949 -0.606) 8.999 2.936 ( 3.072 -5.158 0.700) 6.044 2.936 ( 3.072 5.158 0.700) 6.044 3.051 ( 0.840 -0.342 -0.141) 0.918 3.051 ( 0.840 0.342 -0.141) 0.918 3.239 ( -0.846 -5.519 -2.090) 5.961 3.239 ( -0.846 5.519 -2.090) 5.961 3.317 ( 1.915 -1.586 -3.002) 3.898 3.317 ( 1.915 1.586 -3.002) 3.898 3.478 ( -2.261 -3.949 1.298) 4.732 3.478 ( -2.261 3.949 1.298) 4.732 3.598 ( -0.657 -2.107 3.553) 4.182 3.598 ( -0.656 2.107 3.553) 4.182 3.679 ( 2.345 -3.255 -0.093) 4.013 3.679 ( 2.345 3.255 -0.093) 4.013 3.785 ( -1.999 -3.121 1.526) 4.008 3.785 ( -1.999 3.121 1.526) 4.008 3.918 ( 1.023 -1.820 -1.111) 2.365 3.918 ( 1.023 1.820 -1.111) 2.365 4.596 ( 1.938 -0.356 -2.071) 2.859 4.596 ( 1.938 0.356 -2.071) 2.859 4.713 ( -0.711 -0.655 1.577) 1.849 4.713 ( -0.711 0.655 1.577) 1.849 4.944 ( 1.453 -2.259 -0.217) 2.694 4.944 ( 1.453 2.259 -0.217) 2.694 4.964 ( 0.676 -0.901 -0.130) 1.134 4.964 ( 0.676 0.901 -0.130) 1.134 5.691 ( 1.500 -0.544 0.087) 1.598 5.691 ( 1.500 0.544 0.087) 1.598 5.819 ( -0.555 -0.446 -0.178) 0.734 5.819 ( -0.555 0.446 -0.178) 0.734 6.152 ( 0.129 -0.193 0.465) 0.520 6.152 ( 0.129 0.193 0.465) 0.520 6.172 ( 0.074 -1.076 -0.032) 1.079 6.172 ( 0.074 1.076 -0.032) 1.079 6.325 ( 0.857 -0.668 0.102) 1.091 6.325 ( 0.857 0.668 0.102) 1.091 6.342 ( 0.386 -0.520 -0.308) 0.717 6.342 ( 0.386 0.520 -0.308) 0.717 8.264 ( 0.333 -1.547 0.295) 1.610 8.264 ( 0.333 1.547 0.295) 1.610 8.294 ( -0.139 -0.370 -0.180) 0.435 8.294 ( -0.139 0.370 -0.180) 0.435 ======================= Grid point 95 (39/60) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 4.312 -2.078 0.491) 4.812 1.428 ( 4.312 2.078 0.491) 4.812 1.496 ( 0.704 -7.157 2.528) 7.623 1.496 ( 0.704 7.157 2.528) 7.623 1.711 ( -0.911 -4.475 -1.192) 4.720 1.711 ( -0.911 4.475 -1.192) 4.720 1.775 ( 1.412 -4.177 -2.873) 5.262 1.775 ( 1.412 4.177 -2.873) 5.262 1.826 ( -2.614 -2.165 0.894) 3.510 1.826 ( -2.614 2.165 0.894) 3.510 1.936 ( -4.142 -1.051 -0.262) 4.282 1.936 ( -4.142 1.051 -0.262) 4.282 2.125 ( 3.281 -4.052 -0.357) 5.225 2.125 ( 3.281 4.052 -0.357) 5.225 2.252 ( -1.938 -2.794 1.437) 3.691 2.252 ( -1.938 2.794 1.437) 3.691 2.356 ( -1.858 -3.268 -0.555) 3.801 2.356 ( -1.859 3.268 -0.555) 3.801 2.376 ( -4.070 -1.732 -0.150) 4.426 2.376 ( -4.070 1.732 -0.150) 4.426 2.524 ( -1.558 -3.871 0.525) 4.206 2.524 ( -1.558 3.871 0.525) 4.206 2.547 ( -2.563 -2.548 0.966) 3.741 2.547 ( -2.563 2.548 0.966) 3.741 2.723 ( 5.335 -3.195 0.419) 6.232 2.723 ( 5.335 3.195 0.419) 6.232 2.871 ( -0.136 -4.698 -2.614) 5.378 2.871 ( -0.136 4.698 -2.614) 5.378 2.912 ( 2.609 -3.650 -0.706) 4.542 2.912 ( 2.609 3.650 -0.706) 4.542 2.979 ( 0.909 -2.941 -0.333) 3.096 2.979 ( 0.909 2.941 -0.333) 3.096 3.068 ( 0.940 -2.159 1.237) 2.660 3.068 ( 0.940 2.159 1.237) 2.660 3.194 ( -4.427 -4.952 0.169) 6.644 3.194 ( -4.427 4.952 0.169) 6.644 3.354 ( 2.676 -6.529 -0.663) 7.088 3.354 ( 2.676 6.530 -0.663) 7.088 3.444 ( -1.300 -2.139 0.787) 2.624 3.444 ( -1.300 2.139 0.787) 2.624 3.596 ( 0.685 -2.778 1.317) 3.150 3.596 ( 0.685 2.778 1.317) 3.150 3.678 ( -2.548 -0.587 -0.664) 2.697 3.678 ( -2.548 0.587 -0.664) 2.697 3.800 ( 3.591 -0.209 1.466) 3.884 3.800 ( 3.591 0.210 1.465) 3.884 3.919 ( -1.141 -1.893 -1.189) 2.510 3.919 ( -1.141 1.893 -1.189) 2.510 4.636 ( 1.996 -0.077 -1.011) 2.238 4.636 ( 1.996 0.077 -1.011) 2.238 4.696 ( -1.111 -0.765 1.488) 2.008 4.696 ( -1.111 0.765 1.488) 2.008 4.973 ( 1.296 -1.649 -0.404) 2.136 4.973 ( 1.296 1.649 -0.404) 2.136 4.980 ( 0.825 -1.205 -0.198) 1.473 4.980 ( 0.825 1.205 -0.198) 1.473 5.729 ( 2.222 -0.293 -0.123) 2.245 5.729 ( 2.222 0.293 -0.123) 2.245 5.802 ( -1.242 -0.376 -0.192) 1.312 5.802 ( -1.242 0.376 -0.192) 1.312 6.157 ( 0.374 -0.306 0.339) 0.590 6.157 ( 0.374 0.306 0.339) 0.590 6.172 ( -0.172 -0.769 0.058) 0.790 6.172 ( -0.172 0.769 0.058) 0.790 6.343 ( 0.880 -1.073 -0.026) 1.388 6.343 ( 0.880 1.073 -0.026) 1.388 6.351 ( 0.405 -0.913 -0.223) 1.024 6.351 ( 0.405 0.913 -0.223) 1.024 8.272 ( 0.508 -1.061 0.174) 1.189 8.272 ( 0.508 1.061 0.174) 1.189 8.290 ( -0.310 -0.385 -0.095) 0.504 8.290 ( -0.310 0.385 -0.095) 0.504 ======================= Grid point 97 (40/60) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -1.810 -6.342 1.140) 6.693 1.496 ( 1.797 -6.341 1.140) 6.689 1.496 ( -1.797 6.341 1.140) 6.689 1.496 ( 1.810 6.342 1.140) 6.693 1.717 ( -2.723 -4.791 -2.065) 5.885 1.717 ( 2.288 -4.733 -2.065) 5.648 1.717 ( -2.288 4.734 -2.065) 5.648 1.717 ( 2.723 4.791 -2.065) 5.885 1.865 ( -3.201 -3.078 0.194) 4.445 1.865 ( 1.092 -2.686 0.194) 2.906 1.865 ( -1.092 2.686 0.194) 2.906 1.865 ( 3.201 3.078 0.194) 4.445 2.201 ( -3.818 -4.100 0.565) 5.631 2.201 ( 3.519 -4.033 0.565) 5.382 2.201 ( -3.519 4.033 0.565) 5.382 2.201 ( 3.818 4.100 0.565) 5.631 2.329 ( -0.060 -2.810 -0.536) 2.861 2.329 ( 0.040 -2.809 -0.536) 2.860 2.329 ( -0.040 2.810 -0.536) 2.861 2.329 ( 0.060 2.810 -0.536) 2.861 2.514 ( -0.529 -4.607 1.065) 4.758 2.514 ( 0.495 -4.606 1.065) 4.754 2.514 ( -0.495 4.606 1.065) 4.754 2.514 ( 0.529 4.607 1.065) 4.758 2.833 ( -4.224 -4.198 -1.056) 6.048 2.833 ( 2.728 -3.876 -1.056) 4.856 2.833 ( -2.728 3.876 -1.056) 4.856 2.833 ( 4.224 4.198 -1.056) 6.048 2.959 ( -2.052 -3.045 -1.496) 3.965 2.959 ( 1.151 -2.924 -1.496) 3.480 2.959 ( -1.151 2.924 -1.496) 3.480 2.959 ( 2.052 3.045 -1.496) 3.965 3.107 ( -3.416 -6.363 2.107) 7.523 3.107 ( 3.208 -6.336 2.107) 7.408 3.107 ( -3.208 6.336 2.107) 7.408 3.107 ( 3.416 6.363 2.107) 7.523 3.410 ( -2.514 -5.829 0.165) 6.350 3.410 ( 2.510 -5.829 0.164) 6.348 3.410 ( -2.510 5.829 0.164) 6.348 3.410 ( 2.514 5.829 0.164) 6.350 3.626 ( -2.138 -2.164 0.365) 3.064 3.626 ( 1.041 -1.953 0.365) 2.243 3.626 ( -1.041 1.953 0.365) 2.243 3.626 ( 2.138 2.164 0.365) 3.064 3.874 ( -3.356 -1.926 -0.488) 3.900 3.874 ( 0.447 -0.971 -0.488) 1.175 3.874 ( -0.447 0.971 -0.488) 1.175 3.874 ( 3.356 1.926 -0.488) 3.900 4.670 ( -1.428 -0.627 0.518) 1.643 4.670 ( -0.784 -0.192 0.518) 0.960 4.670 ( 0.784 0.192 0.518) 0.960 4.670 ( 1.428 0.627 0.518) 1.643 4.988 ( -0.130 -1.330 -0.368) 1.386 4.988 ( 0.130 -1.330 -0.368) 1.386 4.988 ( -0.130 1.330 -0.368) 1.386 4.988 ( 0.130 1.330 -0.368) 1.386 5.770 ( -1.983 -0.112 -0.224) 1.999 5.770 ( -1.983 0.109 -0.224) 1.998 5.770 ( 1.983 -0.109 -0.224) 1.998 5.770 ( 1.983 0.112 -0.224) 1.999 6.165 ( -0.431 -0.502 0.196) 0.690 6.165 ( 0.365 -0.489 0.196) 0.641 6.165 ( -0.365 0.489 0.196) 0.641 6.165 ( 0.431 0.502 0.196) 0.690 6.354 ( -0.189 -1.142 -0.132) 1.165 6.354 ( 0.189 -1.142 -0.132) 1.165 6.354 ( -0.189 1.142 -0.132) 1.165 6.354 ( 0.189 1.142 -0.132) 1.165 8.282 ( -0.471 -0.616 0.031) 0.776 8.282 ( 0.463 -0.615 0.031) 0.770 8.282 ( -0.463 0.615 0.031) 0.770 8.282 ( 0.471 0.616 0.031) 0.776 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 0.000 17.530) 17.530 0.773 ( 0.000 0.000 19.812) 19.812 0.957 ( 0.000 0.000 -16.339) 16.339 1.103 ( 0.000 0.000 -16.088) 16.088 1.324 ( 0.000 0.000 33.624) 33.624 1.734 ( 0.000 0.000 2.930) 2.930 1.748 ( 0.000 0.000 8.860) 8.860 1.777 ( 0.000 0.000 -1.246) 1.246 1.835 ( 0.000 0.000 -11.774) 11.774 1.857 ( 0.000 0.000 1.766) 1.766 1.896 ( 0.000 0.000 -10.652) 10.652 1.955 ( 0.000 0.000 -14.775) 14.775 1.958 ( 0.000 0.000 0.932) 0.932 1.983 ( 0.000 0.000 -1.859) 1.859 2.070 ( 0.000 0.000 1.032) 1.032 2.081 ( 0.000 0.000 -0.071) 0.071 2.150 ( 0.000 0.000 1.170) 1.170 2.154 ( 0.000 0.000 0.821) 0.821 2.317 ( 0.000 0.000 1.515) 1.515 2.338 ( 0.000 0.000 1.795) 1.795 2.343 ( 0.000 0.000 -1.258) 1.258 2.349 ( 0.000 0.000 0.086) 0.086 2.365 ( 0.000 0.000 3.370) 3.370 2.402 ( 0.000 0.000 -0.199) 0.199 2.455 ( 0.000 0.000 -2.982) 2.982 2.471 ( 0.000 0.000 -3.983) 3.983 2.782 ( 0.000 0.000 -0.631) 0.631 2.783 ( 0.000 0.000 -0.841) 0.841 2.880 ( 0.000 0.000 0.234) 0.234 2.881 ( 0.000 0.000 -0.057) 0.057 2.914 ( 0.000 0.000 -0.723) 0.723 2.917 ( 0.000 0.000 -1.484) 1.484 3.025 ( 0.000 0.000 0.207) 0.207 3.052 ( 0.000 0.000 -3.043) 3.043 3.345 ( 0.000 0.000 2.381) 2.381 3.370 ( 0.000 0.000 1.009) 1.009 3.409 ( 0.000 0.000 6.736) 6.736 3.443 ( 0.000 0.000 0.005) 0.005 3.469 ( 0.000 0.000 3.874) 3.874 3.511 ( 0.000 0.000 5.659) 5.659 3.591 ( 0.000 0.000 -4.734) 4.734 3.597 ( 0.000 0.000 -3.811) 3.811 3.755 ( 0.000 0.000 2.853) 2.853 3.790 ( 0.000 0.000 0.048) 0.048 3.808 ( 0.000 0.000 -2.701) 2.701 3.815 ( 0.000 0.000 -3.587) 3.587 4.032 ( 0.000 0.000 6.586) 6.586 4.129 ( 0.000 0.000 -3.882) 3.882 4.581 ( 0.000 0.000 0.533) 0.533 4.599 ( 0.000 0.000 -1.487) 1.487 4.671 ( 0.000 0.000 0.533) 0.533 4.682 ( 0.000 0.000 -0.595) 0.595 4.946 ( 0.000 0.000 1.663) 1.663 4.979 ( 0.000 0.000 -1.870) 1.870 5.046 ( 0.000 0.000 3.277) 3.277 5.102 ( 0.000 0.000 -2.733) 2.733 5.743 ( 0.000 0.000 -0.163) 0.163 5.746 ( 0.000 0.000 -0.483) 0.483 5.810 ( 0.000 0.000 0.824) 0.824 5.821 ( 0.000 0.000 -0.419) 0.419 6.047 ( 0.000 0.000 1.438) 1.438 6.074 ( 0.000 0.000 -1.462) 1.462 6.128 ( 0.000 0.000 1.064) 1.064 6.148 ( 0.000 0.000 -1.073) 1.073 6.322 ( 0.000 0.000 0.342) 0.342 6.330 ( 0.000 0.000 -0.558) 0.558 6.347 ( 0.000 0.000 0.651) 0.651 6.357 ( 0.000 0.000 -0.421) 0.421 8.132 ( 0.000 0.000 3.597) 3.597 8.196 ( 0.000 0.000 -3.220) 3.220 8.294 ( 0.000 0.000 0.702) 0.702 8.309 ( 0.000 0.000 -0.974) 0.974 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 10.336 0.000 14.007) 17.407 0.767 ( 1.844 0.000 18.203) 18.296 1.019 ( 5.977 0.000 -14.254) 15.456 1.079 ( -1.291 0.000 -15.486) 15.539 1.476 ( 12.949 0.000 27.520) 30.415 1.641 ( -7.286 0.000 5.370) 9.051 1.676 ( -5.334 0.000 3.242) 6.242 1.716 ( -9.570 0.000 -3.034) 10.040 1.728 ( -4.704 0.000 -2.170) 5.180 1.934 ( 6.253 0.000 -13.255) 14.656 1.960 ( -0.447 0.000 0.567) 0.722 1.973 ( -1.627 0.000 -0.751) 1.792 1.977 ( 3.681 0.000 -5.080) 6.273 2.010 ( 3.874 0.000 -5.066) 6.378 2.069 ( 0.129 0.000 0.540) 0.555 2.075 ( 0.206 0.000 -0.016) 0.207 2.153 ( 0.395 0.000 1.412) 1.466 2.161 ( 0.569 0.000 0.585) 0.816 2.243 ( -5.417 0.000 1.831) 5.718 2.291 ( -4.137 0.000 -2.084) 4.632 2.332 ( 1.453 0.000 1.770) 2.290 2.364 ( 1.646 0.000 -1.588) 2.287 2.379 ( 0.035 0.000 1.855) 1.856 2.418 ( 0.659 0.000 -1.154) 1.329 2.498 ( 3.930 0.000 -0.588) 3.974 2.541 ( 4.490 0.000 -4.315) 6.228 2.757 ( -1.074 0.000 0.673) 1.268 2.787 ( 0.077 0.000 -2.336) 2.337 2.889 ( 0.872 0.000 0.469) 0.990 2.906 ( 1.814 0.000 -1.183) 2.166 2.914 ( 0.670 0.000 0.219) 0.705 2.933 ( 0.415 0.000 -1.688) 1.738 3.029 ( 1.245 0.000 2.118) 2.457 3.082 ( 2.322 0.000 -3.696) 4.366 3.308 ( -5.408 0.000 5.435) 7.667 3.357 ( -2.267 0.000 0.023) 2.267 3.402 ( 1.121 0.000 4.445) 4.585 3.429 ( -1.315 0.000 1.098) 1.713 3.485 ( 1.087 0.000 2.195) 2.449 3.525 ( 1.433 0.000 5.266) 5.458 3.583 ( -0.432 0.000 -5.958) 5.973 3.607 ( 0.978 0.000 -3.701) 3.828 3.748 ( -0.740 0.000 2.710) 2.810 3.791 ( -0.245 0.000 0.810) 0.846 3.805 ( -1.113 0.000 -3.353) 3.533 3.814 ( 0.815 0.000 -1.424) 1.640 4.015 ( -1.573 0.000 4.402) 4.675 4.075 ( -4.273 0.000 -1.817) 4.643 4.591 ( 0.994 0.000 0.496) 1.111 4.607 ( 0.808 0.000 -1.237) 1.477 4.679 ( 0.382 0.000 0.344) 0.514 4.688 ( 0.476 0.000 -0.609) 0.773 4.945 ( -0.036 0.000 1.388) 1.389 4.967 ( -0.897 0.000 -0.652) 1.109 5.068 ( 1.790 0.000 1.873) 2.590 5.108 ( 0.612 0.000 -2.298) 2.378 5.735 ( -0.573 0.000 0.120) 0.586 5.738 ( -0.263 0.000 -0.362) 0.448 5.801 ( -0.903 0.000 0.873) 1.256 5.814 ( -0.729 0.000 -0.566) 0.923 6.053 ( 0.609 0.000 1.326) 1.459 6.078 ( 0.409 0.000 -1.355) 1.415 6.124 ( -0.463 0.000 1.008) 1.109 6.143 ( -0.565 0.000 -1.012) 1.159 6.314 ( -0.619 0.000 0.518) 0.807 6.321 ( -0.676 0.000 -0.224) 0.712 6.365 ( 1.565 0.000 0.099) 1.568 6.371 ( 1.241 0.000 -0.392) 1.301 8.145 ( 1.293 0.000 3.154) 3.408 8.201 ( 0.549 0.000 -2.890) 2.942 8.286 ( -0.788 0.000 0.721) 1.069 8.301 ( -0.850 0.000 -0.892) 1.232 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 10.821 0.000 9.522) 14.414 0.989 ( 12.371 0.000 8.247) 14.868 1.096 ( 3.312 0.000 -11.616) 12.079 1.152 ( 6.597 0.000 -9.338) 11.433 1.470 ( -9.333 0.000 1.397) 9.437 1.507 ( -11.436 0.000 -2.441) 11.694 1.555 ( -6.356 0.000 3.277) 7.151 1.614 ( -6.635 0.000 -3.035) 7.296 1.754 ( 12.877 0.000 17.961) 22.100 1.930 ( -1.862 0.000 0.445) 1.914 1.937 ( -1.657 0.000 -0.284) 1.682 1.996 ( -0.681 0.000 -3.210) 3.281 2.029 ( 1.909 0.000 -0.924) 2.121 2.070 ( 1.541 0.000 -3.779) 4.081 2.080 ( 0.777 0.000 0.510) 0.929 2.087 ( 0.596 0.000 -0.256) 0.648 2.164 ( 0.670 0.000 1.283) 1.447 2.172 ( 0.419 0.000 0.517) 0.666 2.194 ( 1.475 0.000 -0.777) 1.667 2.242 ( -0.044 0.000 -3.759) 3.759 2.365 ( 1.731 0.000 1.374) 2.210 2.373 ( -1.513 0.000 2.207) 2.676 2.390 ( 0.799 0.000 -1.272) 1.502 2.405 ( -2.210 0.000 -1.501) 2.671 2.578 ( 4.117 0.000 -0.545) 4.153 2.614 ( 2.712 0.000 -4.394) 5.164 2.744 ( -0.197 0.000 2.186) 2.195 2.781 ( -0.706 0.000 -1.011) 1.233 2.908 ( 0.943 0.000 0.690) 1.169 2.926 ( 0.254 0.000 -1.194) 1.221 2.941 ( 1.364 0.000 0.117) 1.369 2.956 ( 3.809 0.000 -1.930) 4.270 3.078 ( 3.138 0.000 1.831) 3.633 3.122 ( 1.342 0.000 -2.879) 3.176 3.163 ( -8.384 0.000 6.263) 10.465 3.261 ( -7.568 0.000 -3.610) 8.385 3.418 ( 1.074 0.000 2.331) 2.566 3.438 ( 1.618 0.000 0.276) 1.642 3.495 ( -0.081 0.000 2.311) 2.312 3.562 ( -2.347 0.000 -4.811) 5.353 3.566 ( 2.759 0.000 4.080) 4.925 3.630 ( 1.058 0.000 -2.713) 2.912 3.728 ( -1.001 0.000 1.911) 2.158 3.773 ( -2.057 0.000 -2.771) 3.451 3.804 ( 2.442 0.000 2.446) 3.456 3.844 ( 2.396 0.000 -1.851) 3.027 3.970 ( -3.178 0.000 2.498) 4.043 3.996 ( -3.814 0.000 -0.586) 3.859 4.614 ( 1.274 0.000 0.499) 1.368 4.624 ( 0.789 0.000 -0.475) 0.921 4.682 ( 0.045 0.000 0.448) 0.451 4.691 ( -0.231 0.000 -0.399) 0.461 4.944 ( -0.039 0.000 0.893) 0.894 4.953 ( -0.564 0.000 0.154) 0.584 5.102 ( 1.555 0.000 0.556) 1.651 5.121 ( 0.495 0.000 -1.358) 1.445 5.736 ( 0.680 0.000 0.004) 0.680 5.739 ( 0.346 0.000 -0.336) 0.482 5.779 ( -1.216 0.000 0.729) 1.418 5.793 ( -1.419 0.000 -0.731) 1.596 6.069 ( 1.005 0.000 1.075) 1.472 6.090 ( 0.696 0.000 -1.068) 1.274 6.111 ( -0.781 0.000 0.862) 1.163 6.128 ( -0.921 0.000 -0.900) 1.288 6.305 ( -0.199 0.000 0.484) 0.524 6.310 ( -0.402 0.000 -0.057) 0.406 6.394 ( 1.212 0.000 -0.158) 1.222 6.396 ( 1.133 0.000 -0.295) 1.171 8.178 ( 2.049 0.000 2.072) 2.914 8.216 ( 0.856 0.000 -1.959) 2.137 8.265 ( -1.279 0.000 0.699) 1.458 8.279 ( -1.315 0.000 -0.795) 1.537 ======================= Grid point 129 (44/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -7.621 0.000 -0.494) 7.637 1.111 ( 7.621 0.000 -0.494) 7.637 1.182 ( -5.632 0.000 0.734) 5.679 1.182 ( 5.632 0.000 0.734) 5.679 1.344 ( -2.451 0.000 -2.868) 3.773 1.344 ( 2.451 0.000 -2.868) 3.773 1.505 ( -2.959 0.000 -1.296) 3.231 1.505 ( 2.959 0.000 -1.296) 3.231 1.915 ( -0.334 0.000 0.046) 0.338 1.915 ( 0.334 0.000 0.046) 0.338 1.934 ( -5.663 0.000 6.069) 8.301 1.934 ( 5.663 0.000 6.069) 8.301 2.062 ( -1.518 0.000 0.123) 1.523 2.062 ( 1.518 0.000 0.123) 1.523 2.091 ( -0.193 0.000 0.163) 0.252 2.091 ( 0.193 0.000 0.163) 0.252 2.174 ( -0.224 0.000 0.803) 0.834 2.174 ( 0.224 0.000 0.803) 0.834 2.256 ( -1.830 0.000 -2.716) 3.275 2.256 ( 1.830 0.000 -2.716) 3.275 2.346 ( -1.586 0.000 -0.089) 1.589 2.346 ( 1.586 0.000 -0.089) 1.589 2.390 ( -0.747 0.000 0.022) 0.747 2.390 ( 0.747 0.000 0.022) 0.747 2.632 ( -0.962 0.000 -1.752) 1.999 2.632 ( 0.962 0.000 -1.752) 1.999 2.760 ( -1.480 0.000 1.938) 2.438 2.760 ( 1.480 0.000 1.938) 2.438 2.922 ( -0.525 0.000 0.044) 0.526 2.922 ( 0.525 0.000 0.044) 0.526 2.996 ( -4.196 0.000 3.007) 5.162 2.996 ( 4.196 0.000 3.007) 5.162 3.104 ( -6.980 0.000 -4.518) 8.315 3.104 ( 6.980 0.000 -4.518) 8.315 3.123 ( -1.246 0.000 -0.629) 1.396 3.123 ( 1.246 0.000 -0.629) 1.396 3.448 ( -1.252 0.000 1.299) 1.804 3.448 ( 1.252 0.000 1.299) 1.804 3.508 ( -2.361 0.000 -1.322) 2.706 3.508 ( 2.361 0.000 -1.322) 2.706 3.620 ( -2.296 0.000 1.568) 2.780 3.620 ( 2.296 0.000 1.568) 2.780 3.733 ( -1.696 0.000 -1.433) 2.220 3.733 ( 1.696 0.000 -1.433) 2.220 3.869 ( -2.636 0.000 0.681) 2.722 3.869 ( 2.636 0.000 0.681) 2.722 3.930 ( -2.000 0.000 0.368) 2.033 3.930 ( 2.000 0.000 0.368) 2.033 4.631 ( -0.260 0.000 0.271) 0.376 4.631 ( 0.260 0.000 0.271) 0.376 4.684 ( -0.270 0.000 0.084) 0.283 4.684 ( 0.270 0.000 0.084) 0.283 4.945 ( -0.192 0.000 0.504) 0.540 4.945 ( 0.192 0.000 0.504) 0.540 5.122 ( -0.469 0.000 -0.402) 0.618 5.122 ( 0.469 0.000 -0.402) 0.618 5.749 ( -0.251 0.000 -0.192) 0.316 5.749 ( 0.251 0.000 -0.192) 0.316 5.767 ( -0.762 0.000 -0.121) 0.771 5.767 ( 0.762 0.000 -0.121) 0.771 6.089 ( -0.962 0.000 0.752) 1.221 6.089 ( 0.962 0.000 0.752) 1.221 6.110 ( -0.865 0.000 -0.767) 1.156 6.110 ( 0.865 0.000 -0.767) 1.156 6.305 ( -0.152 0.000 0.219) 0.267 6.305 ( 0.152 0.000 0.219) 0.267 6.407 ( -0.050 0.000 -0.227) 0.233 6.407 ( 0.050 0.000 -0.227) 0.233 8.215 ( -1.465 0.000 0.569) 1.572 8.215 ( 1.465 0.000 0.569) 1.572 8.256 ( -0.818 0.000 -0.576) 1.001 8.256 ( 0.818 0.000 -0.576) 1.001 ======================= Grid point 133 (45/60) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.000 7.847 15.451) 17.330 0.864 ( 0.000 16.723 12.844) 21.086 1.122 ( 0.000 13.667 -12.552) 18.556 1.143 ( 0.000 3.544 -12.775) 13.257 1.424 ( 0.000 11.389 25.952) 28.341 1.702 ( 0.000 -1.663 8.760) 8.916 1.707 ( 0.000 -1.280 -2.481) 2.792 1.802 ( 0.000 3.216 1.150) 3.415 1.868 ( 0.000 -1.982 -6.331) 6.634 1.891 ( 0.000 3.450 3.361) 4.817 1.925 ( 0.000 -1.065 -7.906) 7.977 1.977 ( 0.000 1.020 2.601) 2.794 1.989 ( 0.000 5.755 -11.448) 12.813 2.034 ( 0.000 5.405 -5.543) 7.742 2.116 ( 0.000 2.336 1.319) 2.682 2.120 ( 0.000 4.602 0.833) 4.677 2.167 ( 0.000 1.698 0.080) 1.700 2.178 ( 0.000 4.117 -2.509) 4.822 2.336 ( 0.000 2.175 0.577) 2.250 2.338 ( 0.000 1.364 0.839) 1.602 2.378 ( 0.000 2.269 0.311) 2.290 2.379 ( 0.000 2.111 -0.063) 2.112 2.386 ( 0.000 2.092 1.949) 2.859 2.414 ( 0.000 2.252 -1.152) 2.529 2.493 ( 0.000 3.882 -2.230) 4.477 2.494 ( 0.000 2.631 -2.431) 3.583 2.783 ( 0.000 -0.703 0.389) 0.803 2.787 ( 0.000 0.022 0.701) 0.702 2.824 ( 0.000 -3.590 -1.119) 3.760 2.840 ( 0.000 -3.598 -2.572) 4.423 2.879 ( 0.000 -0.843 0.048) 0.845 2.902 ( 0.000 -1.287 -2.426) 2.746 3.072 ( 0.000 1.088 -0.022) 1.089 3.072 ( 0.000 2.100 0.151) 2.105 3.362 ( 0.000 -3.856 3.453) 5.176 3.375 ( 0.000 -6.174 3.682) 7.189 3.396 ( 0.000 2.917 -0.183) 2.922 3.406 ( 0.000 -0.789 3.013) 3.114 3.464 ( 0.000 -0.251 1.617) 1.636 3.473 ( 0.000 4.519 -0.293) 4.529 3.549 ( 0.000 -4.139 3.058) 5.146 3.635 ( 0.000 -0.517 -3.917) 3.951 3.766 ( 0.000 3.889 0.415) 3.911 3.785 ( 0.000 -2.428 -2.094) 3.207 3.817 ( 0.000 -0.369 -0.804) 0.885 3.847 ( 0.000 3.579 -2.380) 4.298 3.996 ( 0.000 -3.520 6.424) 7.325 4.086 ( 0.000 -4.139 -3.263) 5.271 4.575 ( 0.000 -0.592 0.430) 0.732 4.591 ( 0.000 -0.741 -1.477) 1.652 4.677 ( 0.000 0.688 0.489) 0.844 4.686 ( 0.000 0.443 -0.367) 0.575 4.941 ( 0.000 -0.548 1.572) 1.665 4.972 ( 0.000 -0.737 -1.767) 1.914 5.039 ( 0.000 -0.706 2.832) 2.919 5.088 ( 0.000 -1.390 -2.434) 2.803 5.727 ( 0.000 -1.636 0.036) 1.637 5.730 ( 0.000 -1.159 -0.446) 1.242 5.810 ( 0.000 0.045 0.843) 0.844 5.820 ( 0.000 -0.038 -0.320) 0.322 6.062 ( 0.000 1.452 1.267) 1.927 6.086 ( 0.000 1.138 -1.306) 1.732 6.139 ( 0.000 0.892 0.957) 1.308 6.156 ( 0.000 0.715 -0.888) 1.140 6.322 ( 0.000 0.003 0.347) 0.347 6.329 ( 0.000 -0.080 -0.481) 0.487 6.344 ( 0.000 -0.313 0.589) 0.667 6.353 ( 0.000 -0.375 -0.436) 0.575 8.148 ( 0.000 1.622 3.322) 3.697 8.208 ( 0.000 1.138 -2.991) 3.200 8.294 ( 0.000 -0.014 0.684) 0.685 8.308 ( 0.000 -0.125 -0.886) 0.895 ======================= Grid point 134 (46/60) ======================= q-point: ( 0.17 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 0.296 8.403 15.848) 17.941 0.960 ( 8.487 14.102 10.901) 19.741 1.115 ( -1.160 5.089 -13.055) 14.060 1.179 ( 5.020 12.082 -11.032) 17.113 1.522 ( 4.121 4.276 14.498) 15.667 1.633 ( -2.054 3.278 6.305) 7.397 1.654 ( -5.472 -1.106 2.287) 6.033 1.773 ( -2.779 3.210 0.841) 4.328 1.803 ( -4.220 5.646 0.631) 7.077 1.926 ( 0.111 -1.088 -0.515) 1.209 1.943 ( 1.378 -1.126 -1.159) 2.124 1.995 ( 3.250 0.911 -7.925) 8.614 2.026 ( 1.495 3.245 -3.189) 4.788 2.039 ( 0.313 4.260 -3.830) 5.738 2.102 ( -0.868 2.281 1.472) 2.850 2.125 ( 0.561 4.139 -0.757) 4.245 2.163 ( -1.296 1.900 -1.323) 2.654 2.172 ( 0.181 2.426 -0.804) 2.562 2.284 ( -4.637 3.270 0.906) 5.746 2.306 ( -3.365 1.384 -0.786) 3.722 2.339 ( 0.684 2.009 1.278) 2.477 2.368 ( 0.945 1.356 -1.583) 2.289 2.418 ( 0.334 2.938 0.834) 3.073 2.435 ( 0.763 2.078 -0.562) 2.284 2.543 ( 4.200 4.028 -0.733) 5.866 2.558 ( 4.600 1.760 -2.271) 5.424 2.775 ( -0.835 1.788 0.625) 2.070 2.786 ( -0.326 -0.900 -0.303) 1.004 2.854 ( 2.247 -3.852 -0.319) 4.471 2.858 ( 1.620 -4.157 -0.789) 4.531 2.891 ( 1.486 -0.161 -0.363) 1.538 2.925 ( 3.013 -0.936 -3.535) 4.738 3.048 ( -1.853 -0.222 0.132) 1.871 3.050 ( -1.620 -0.198 -0.446) 1.692 3.357 ( -0.014 -2.417 3.343) 4.126 3.376 ( -3.014 3.107 3.594) 5.626 3.405 ( 0.550 -1.728 1.728) 2.505 3.436 ( 3.266 0.354 3.791) 5.016 3.457 ( -1.350 1.548 -0.470) 2.107 3.468 ( 0.492 -0.641 0.988) 1.276 3.538 ( -0.221 -3.721 0.854) 3.824 3.614 ( -2.178 -2.309 -5.422) 6.283 3.747 ( -2.273 1.079 -0.819) 2.646 3.765 ( -1.347 -2.284 -1.847) 3.232 3.830 ( 1.468 2.076 1.973) 3.218 3.874 ( 1.631 3.725 -2.402) 4.723 3.982 ( -1.051 -3.127 4.396) 5.496 4.037 ( -3.786 -3.419 -1.143) 5.228 4.589 ( 1.335 -0.234 0.330) 1.395 4.603 ( 1.066 -0.460 -1.174) 1.651 4.683 ( 0.248 0.481 0.362) 0.651 4.691 ( 0.368 0.277 -0.402) 0.612 4.943 ( 0.208 -0.294 1.259) 1.309 4.964 ( -0.639 -0.403 -0.680) 1.017 5.058 ( 1.559 -0.996 1.632) 2.467 5.094 ( 0.530 -1.471 -2.053) 2.581 5.723 ( -0.053 -1.044 0.279) 1.082 5.730 ( 0.064 -0.816 -0.555) 0.989 5.801 ( -0.888 0.047 0.920) 1.279 5.814 ( -0.696 0.010 -0.539) 0.880 6.068 ( 0.550 1.399 1.168) 1.903 6.090 ( 0.378 1.111 -1.221) 1.694 6.133 ( -0.519 0.860 1.000) 1.417 6.151 ( -0.536 0.754 -0.886) 1.281 6.314 ( -0.522 0.046 0.520) 0.738 6.322 ( -0.562 0.063 -0.248) 0.618 6.362 ( 1.516 -0.335 0.073) 1.554 6.367 ( 1.213 -0.386 -0.372) 1.327 8.160 ( 1.180 1.517 2.908) 3.485 8.212 ( 0.483 1.075 -2.672) 2.920 8.287 ( -0.689 0.086 0.680) 0.972 8.300 ( -0.753 -0.031 -0.811) 1.107 ======================= Grid point 135 (47/60) ======================= q-point: ( 0.33 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 8.728 4.970 10.287) 14.377 1.119 ( 3.342 4.217 -10.753) 12.024 1.167 ( 10.542 11.874 6.866) 17.299 1.290 ( 3.961 10.876 -6.200) 13.131 1.434 ( -8.048 -1.416 1.471) 8.303 1.491 ( -6.007 1.411 -4.251) 7.493 1.634 ( -8.136 5.356 3.421) 10.324 1.694 ( -5.538 6.265 -1.797) 8.553 1.839 ( 9.328 6.813 12.659) 17.137 1.927 ( 0.085 -0.386 0.516) 0.650 1.946 ( -0.446 1.343 -0.209) 1.431 2.030 ( -0.500 0.996 2.041) 2.325 2.034 ( 0.119 0.376 -1.066) 1.136 2.061 ( 0.142 1.581 -4.296) 4.580 2.098 ( 1.317 1.625 -0.887) 2.272 2.126 ( -0.717 0.873 -2.200) 2.473 2.152 ( 0.799 1.230 0.402) 1.521 2.171 ( 0.337 1.886 -1.570) 2.477 2.229 ( -0.920 2.286 0.792) 2.588 2.261 ( -0.958 0.768 -1.764) 2.149 2.358 ( 0.646 1.716 2.041) 2.743 2.398 ( 1.525 1.834 -1.933) 3.071 2.418 ( -0.146 3.137 -0.004) 3.140 2.425 ( -1.844 2.186 -1.028) 3.039 2.620 ( 3.356 2.998 0.101) 4.501 2.635 ( 2.904 2.078 -1.797) 3.998 2.749 ( -1.018 0.361 2.115) 2.375 2.779 ( -0.647 0.181 -0.391) 0.778 2.870 ( 0.969 -2.936 0.506) 3.133 2.902 ( 0.847 -2.375 -2.485) 3.540 2.933 ( 2.326 -0.638 2.745) 3.654 2.976 ( -0.204 -1.271 -0.786) 1.509 3.028 ( 0.920 -1.306 0.475) 1.667 3.069 ( 5.642 0.238 -5.089) 7.602 3.259 ( -7.474 5.549 6.633) 11.430 3.348 ( -3.450 4.417 -1.579) 5.822 3.405 ( -0.208 -0.021 0.935) 0.958 3.438 ( 1.486 -1.093 -2.046) 2.755 3.473 ( -0.462 -0.620 3.021) 3.119 3.508 ( 3.256 -4.137 2.412) 5.790 3.542 ( -1.192 -1.678 -2.700) 3.395 3.572 ( 0.397 -5.973 -3.158) 6.768 3.689 ( -3.801 -2.048 0.986) 4.429 3.722 ( -3.181 -3.966 -2.087) 5.496 3.868 ( 2.413 3.688 2.187) 4.921 3.902 ( 1.476 3.688 -1.468) 4.235 3.962 ( -1.122 -1.021 1.953) 2.473 3.979 ( -2.058 -1.342 0.222) 2.467 4.618 ( 1.459 0.319 0.308) 1.525 4.625 ( 1.007 0.050 -0.369) 1.074 4.684 ( -0.037 0.224 0.494) 0.543 4.692 ( -0.211 0.185 -0.325) 0.429 4.947 ( 0.164 0.202 0.746) 0.790 4.954 ( -0.331 0.112 0.123) 0.371 5.088 ( 1.366 -1.412 0.458) 2.018 5.104 ( 0.430 -1.617 -1.244) 2.085 5.732 ( 0.972 -0.360 0.046) 1.038 5.736 ( 0.592 -0.274 -0.435) 0.784 5.779 ( -1.231 0.077 0.745) 1.441 5.793 ( -1.453 0.020 -0.701) 1.613 6.082 ( 0.915 1.259 0.952) 1.825 6.100 ( 0.615 1.019 -0.932) 1.512 6.121 ( -0.673 0.965 0.838) 1.444 6.137 ( -0.850 0.873 -0.819) 1.468 6.308 ( -0.112 0.253 0.462) 0.538 6.313 ( -0.324 0.254 -0.080) 0.420 6.390 ( 1.172 -0.433 -0.166) 1.260 6.391 ( 1.104 -0.464 -0.271) 1.227 8.190 ( 1.853 1.211 1.910) 2.923 8.225 ( 0.743 0.902 -1.792) 2.140 8.269 ( -1.121 0.336 0.638) 1.333 8.281 ( -1.163 0.214 -0.724) 1.386 ======================= Grid point 136 (48/60) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -9.186 2.159 1.736) 9.595 1.114 ( 9.186 2.159 1.736) 9.595 1.268 ( -3.409 5.264 -4.535) 7.739 1.268 ( 3.409 5.264 -4.535) 7.739 1.419 ( -8.548 8.172 3.681) 12.385 1.419 ( 8.548 8.172 3.681) 12.385 1.564 ( -6.035 5.474 -3.729) 8.961 1.564 ( 6.035 5.474 -3.729) 8.961 1.929 ( -0.505 1.406 0.495) 1.573 1.929 ( 0.505 1.406 0.495) 1.573 1.985 ( -3.764 4.094 4.093) 6.905 1.985 ( 3.764 4.094 4.093) 6.905 2.047 ( -0.973 -1.009 0.564) 1.511 2.047 ( 0.973 -1.009 0.564) 1.511 2.119 ( -0.402 1.960 -0.668) 2.109 2.119 ( 0.402 1.960 -0.668) 2.109 2.173 ( -1.012 0.398 0.480) 1.189 2.173 ( 1.012 0.398 0.481) 1.189 2.243 ( -1.652 -0.813 -1.804) 2.578 2.243 ( 1.652 -0.813 -1.804) 2.578 2.374 ( -2.207 2.813 0.770) 3.657 2.374 ( 2.207 2.813 0.770) 3.657 2.416 ( -0.386 2.944 -1.424) 3.293 2.416 ( 0.386 2.944 -1.424) 3.293 2.658 ( -0.431 2.041 -0.611) 2.174 2.658 ( 0.431 2.041 -0.611) 2.174 2.757 ( -1.471 -0.115 2.107) 2.572 2.757 ( 1.471 -0.115 2.107) 2.572 2.894 ( -1.313 -2.026 -1.183) 2.689 2.894 ( 1.313 -2.026 -1.183) 2.689 2.957 ( -0.967 -2.624 1.009) 2.973 2.957 ( 0.967 -2.624 1.009) 2.973 3.106 ( -5.996 2.543 3.569) 7.426 3.106 ( 5.996 2.543 3.569) 7.426 3.224 ( -7.383 5.567 -5.910) 10.974 3.224 ( 7.383 5.567 -5.910) 10.974 3.437 ( -2.305 -1.121 2.204) 3.380 3.437 ( 2.305 -1.121 2.204) 3.380 3.486 ( -2.843 -2.080 -2.280) 4.197 3.486 ( 2.843 -2.080 -2.280) 4.197 3.582 ( -3.492 -3.278 1.690) 5.079 3.582 ( 3.492 -3.278 1.690) 5.079 3.654 ( -2.901 -5.444 -1.538) 6.357 3.654 ( 2.901 -5.444 -1.538) 6.357 3.912 ( -1.513 2.265 0.901) 2.869 3.912 ( 1.513 2.265 0.901) 2.869 3.951 ( -0.843 1.452 0.394) 1.725 3.951 ( 0.843 1.452 0.394) 1.725 4.635 ( -0.128 0.401 0.238) 0.484 4.635 ( 0.128 0.401 0.238) 0.484 4.686 ( -0.291 0.148 0.121) 0.349 4.686 ( 0.291 0.148 0.121) 0.349 4.950 ( -0.144 0.395 0.429) 0.601 4.950 ( 0.144 0.395 0.429) 0.601 5.105 ( -0.418 -1.639 -0.406) 1.739 5.105 ( 0.418 -1.639 -0.406) 1.739 5.749 ( -0.266 0.077 -0.211) 0.348 5.749 ( 0.266 0.077 -0.211) 0.348 5.766 ( -0.800 -0.118 -0.100) 0.815 5.766 ( 0.800 -0.118 -0.100) 0.815 6.100 ( -0.819 1.047 0.652) 1.480 6.100 ( 0.819 1.047 0.652) 1.480 6.120 ( -0.764 1.030 -0.638) 1.432 6.120 ( 0.764 1.030 -0.638) 1.432 6.308 ( -0.151 0.338 0.199) 0.420 6.308 ( 0.151 0.338 0.199) 0.420 6.402 ( -0.040 -0.483 -0.221) 0.532 6.402 ( 0.040 -0.483 -0.221) 0.532 8.224 ( -1.328 0.851 0.537) 1.666 8.224 ( 1.328 0.851 0.537) 1.666 8.260 ( -0.731 0.481 -0.536) 1.026 8.260 ( 0.731 0.481 -0.536) 1.026 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.000 10.971 9.455) 14.483 1.156 ( 0.000 12.693 11.980) 17.454 1.224 ( 0.000 4.909 -8.483) 9.801 1.359 ( 0.000 9.299 -8.759) 12.775 1.668 ( 0.000 2.082 4.133) 4.628 1.734 ( 0.000 2.244 -2.206) 3.146 1.741 ( 0.000 12.132 12.797) 17.634 1.838 ( 0.000 -0.779 -1.030) 1.291 1.878 ( 0.000 5.142 -1.690) 5.413 1.911 ( 0.000 -0.364 -3.598) 3.617 1.937 ( 0.000 -0.214 2.866) 2.874 1.991 ( 0.000 -2.115 -2.725) 3.450 1.994 ( 0.000 3.847 7.911) 8.797 2.150 ( 0.000 2.110 0.400) 2.147 2.187 ( 0.000 1.064 -1.493) 1.833 2.206 ( 0.000 7.715 -5.921) 9.725 2.233 ( 0.000 4.540 0.544) 4.572 2.265 ( 0.000 3.636 -7.887) 8.685 2.414 ( 0.000 5.797 0.818) 5.854 2.414 ( 0.000 4.544 0.348) 4.558 2.419 ( 0.000 2.984 0.465) 3.020 2.439 ( 0.000 5.498 -2.346) 5.978 2.453 ( 0.000 4.288 2.533) 4.980 2.499 ( 0.000 5.978 -2.213) 6.375 2.566 ( 0.000 4.255 -0.004) 4.255 2.589 ( 0.000 5.225 -2.347) 5.728 2.726 ( 0.000 -3.763 1.120) 3.926 2.727 ( 0.000 -2.965 0.644) 3.034 2.829 ( 0.000 1.235 -1.084) 1.643 2.845 ( 0.000 2.956 -1.139) 3.168 2.868 ( 0.000 -0.219 -2.040) 2.052 2.888 ( 0.000 1.197 -2.490) 2.762 3.076 ( 0.000 -0.701 1.209) 1.397 3.079 ( 0.000 -1.228 1.173) 1.698 3.241 ( 0.000 -6.109 2.497) 6.600 3.258 ( 0.000 -5.176 0.355) 5.188 3.350 ( 0.000 -5.270 2.301) 5.750 3.386 ( 0.000 -4.420 -1.427) 4.645 3.517 ( 0.000 5.366 1.501) 5.572 3.526 ( 0.000 2.596 2.202) 3.404 3.598 ( 0.000 6.607 2.304) 6.997 3.656 ( 0.000 2.597 -2.650) 3.710 3.698 ( 0.000 -6.088 1.050) 6.178 3.757 ( 0.000 -4.289 -4.985) 6.576 3.850 ( 0.000 1.745 1.733) 2.459 3.898 ( 0.000 0.053 -2.301) 2.302 3.910 ( 0.000 -3.947 5.425) 6.709 3.987 ( 0.000 -5.180 -2.215) 5.634 4.560 ( 0.000 -0.844 -0.017) 0.844 4.572 ( 0.000 -1.170 -1.432) 1.849 4.698 ( 0.000 1.394 0.406) 1.452 4.701 ( 0.000 1.069 0.143) 1.078 4.925 ( 0.000 -0.913 1.390) 1.663 4.952 ( 0.000 -1.190 -1.478) 1.898 5.018 ( 0.000 -1.465 1.708) 2.251 5.049 ( 0.000 -2.552 -1.592) 3.008 5.696 ( 0.000 -1.288 0.475) 1.373 5.705 ( 0.000 -1.202 -0.622) 1.353 5.812 ( 0.000 0.198 0.649) 0.678 5.821 ( 0.000 0.070 -0.322) 0.329 6.099 ( 0.000 2.143 0.808) 2.290 6.114 ( 0.000 1.589 -0.836) 1.796 6.155 ( 0.000 0.701 1.042) 1.256 6.171 ( 0.000 0.657 -0.658) 0.930 6.322 ( 0.000 -0.016 0.315) 0.315 6.327 ( 0.000 -0.172 -0.245) 0.299 6.337 ( 0.000 -0.345 0.315) 0.467 6.344 ( 0.000 -0.507 -0.467) 0.690 8.190 ( 0.000 2.458 2.559) 3.548 8.236 ( 0.000 1.570 -2.315) 2.797 8.293 ( 0.000 -0.021 0.559) 0.559 8.304 ( 0.000 -0.266 -0.650) 0.702 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.063 12.075 10.064) 15.719 1.212 ( 5.609 11.030 10.777) 16.409 1.222 ( -0.070 6.126 -8.491) 10.471 1.399 ( 3.756 8.438 -7.765) 12.066 1.610 ( -4.746 5.296 0.127) 7.112 1.627 ( -5.988 -0.086 -0.010) 5.988 1.812 ( 0.907 6.335 3.526) 7.306 1.850 ( -0.969 -0.913 0.423) 1.397 1.861 ( 0.175 4.329 2.732) 5.122 1.920 ( 1.510 1.639 -1.812) 2.872 1.937 ( 0.148 3.286 4.843) 5.854 1.986 ( 1.329 -1.730 0.261) 2.197 2.041 ( 2.015 1.533 2.092) 3.284 2.128 ( -1.800 1.457 1.321) 2.666 2.164 ( -2.097 1.370 -1.545) 2.943 2.199 ( -0.809 5.868 -7.052) 9.210 2.233 ( -2.381 4.100 -2.409) 5.318 2.241 ( 0.288 4.525 -1.020) 4.647 2.358 ( -3.991 4.025 0.100) 5.669 2.366 ( -4.711 5.271 -0.773) 7.111 2.423 ( 0.075 5.007 0.565) 5.039 2.435 ( 1.819 5.501 -1.079) 5.893 2.482 ( 1.015 3.669 0.868) 3.905 2.501 ( -0.264 4.601 -0.869) 4.689 2.602 ( 3.245 2.866 1.039) 4.453 2.634 ( 3.777 4.520 -2.014) 6.225 2.728 ( 0.551 -2.936 1.571) 3.375 2.762 ( 2.525 -4.139 -1.077) 4.966 2.822 ( -0.385 1.398 -0.143) 1.457 2.837 ( -0.711 1.367 -0.987) 1.830 2.880 ( 1.856 0.064 0.466) 1.915 2.936 ( 3.871 1.978 -5.080) 6.686 3.040 ( -2.276 0.295 1.264) 2.620 3.054 ( -1.324 -0.201 -0.066) 1.341 3.287 ( 3.458 -5.317 1.809) 6.595 3.299 ( 3.305 -3.279 0.279) 4.664 3.359 ( 1.015 -5.848 2.780) 6.554 3.400 ( 1.244 -4.546 -1.489) 4.942 3.497 ( -3.118 3.581 5.163) 7.014 3.535 ( -2.258 5.163 3.216) 6.489 3.548 ( -1.213 2.261 -1.582) 3.014 3.624 ( -3.415 3.322 -4.442) 6.514 3.686 ( -0.958 -4.472 0.273) 4.582 3.714 ( -3.855 -4.249 -3.591) 6.769 3.875 ( 2.160 1.139 2.609) 3.574 3.905 ( 0.186 -3.908 3.916) 5.535 3.927 ( 1.869 0.910 -2.122) 2.970 3.962 ( -1.903 -3.913 -1.015) 4.468 4.581 ( 1.970 -0.528 -0.130) 2.044 4.590 ( 1.697 -0.811 -1.102) 2.180 4.698 ( -0.197 0.989 0.491) 1.121 4.702 ( 0.165 1.005 0.034) 1.019 4.934 ( 0.794 -0.573 1.043) 1.430 4.952 ( 0.057 -0.731 -0.793) 1.080 5.030 ( 1.041 -1.783 1.052) 2.317 5.054 ( 0.416 -2.561 -1.380) 2.939 5.703 ( 0.749 -0.881 0.425) 1.232 5.712 ( 0.666 -0.885 -0.630) 1.274 5.804 ( -0.791 0.288 0.723) 1.109 5.815 ( -0.642 0.092 -0.482) 0.808 6.103 ( 0.413 2.060 0.736) 2.226 6.117 ( 0.299 1.537 -0.775) 1.747 6.151 ( -0.353 0.880 1.030) 1.400 6.167 ( -0.371 0.786 -0.684) 1.106 6.316 ( -0.243 0.140 0.487) 0.562 6.324 ( -0.278 0.152 -0.322) 0.452 6.353 ( 1.347 -0.578 0.065) 1.467 6.357 ( 1.099 -0.581 -0.355) 1.293 8.198 ( 0.887 2.284 2.235) 3.316 8.239 ( 0.334 1.494 -2.049) 2.557 8.289 ( -0.451 0.116 0.531) 0.706 8.299 ( -0.508 -0.117 -0.594) 0.790 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 4.890 10.940 7.969) 14.391 1.231 ( 1.204 7.164 -8.107) 10.886 1.353 ( 7.675 6.060 8.499) 12.956 1.443 ( -3.317 4.263 -2.344) 5.888 1.484 ( -5.135 6.770 0.792) 8.534 1.581 ( 2.699 6.445 -7.369) 10.155 1.738 ( -6.389 4.381 2.990) 8.304 1.813 ( -3.332 2.505 -4.742) 6.314 1.906 ( 2.728 1.327 3.049) 4.301 1.937 ( 1.158 -0.244 -0.709) 1.379 1.971 ( 1.824 1.506 4.060) 4.699 2.000 ( 0.772 -2.560 1.188) 2.926 2.060 ( -1.207 2.398 1.758) 3.209 2.078 ( -3.788 -1.290 0.934) 4.109 2.139 ( 0.956 2.785 -1.383) 3.253 2.186 ( 0.422 6.540 -4.572) 7.991 2.208 ( -0.480 3.207 1.112) 3.428 2.238 ( -0.555 3.175 -1.694) 3.641 2.284 ( -3.305 3.671 -0.109) 4.941 2.288 ( -2.875 3.988 -0.528) 4.945 2.417 ( -0.557 2.681 2.117) 3.461 2.455 ( -0.732 2.039 -1.664) 2.732 2.500 ( 0.650 5.581 -0.399) 5.633 2.503 ( 0.952 6.049 -0.773) 6.172 2.658 ( 2.208 1.967 2.627) 3.956 2.698 ( 1.691 3.286 -1.028) 3.836 2.740 ( 0.925 -0.861 3.198) 3.439 2.802 ( -0.347 0.932 -3.011) 3.171 2.831 ( 1.199 -0.739 0.310) 1.442 2.839 ( 3.211 -1.246 -0.364) 3.463 2.925 ( 1.817 0.005 2.158) 2.821 2.957 ( -1.945 -0.114 0.305) 1.972 3.051 ( 1.823 2.447 -0.366) 3.073 3.088 ( 7.454 0.590 -5.550) 9.311 3.323 ( -3.386 -0.555 4.735) 5.847 3.360 ( 1.582 -1.237 1.530) 2.525 3.373 ( -0.079 -4.306 1.802) 4.669 3.403 ( 0.440 -4.752 -0.192) 4.776 3.428 ( -0.602 -1.007 1.045) 1.571 3.483 ( -1.885 0.799 -2.165) 2.980 3.525 ( -3.675 1.575 -1.915) 4.434 3.551 ( -1.202 3.055 -3.074) 4.498 3.634 ( -4.204 -2.463 0.189) 4.876 3.652 ( -2.802 -2.129 -1.126) 3.695 3.911 ( 1.347 -0.211 1.876) 2.320 3.921 ( 1.046 -1.764 1.917) 2.807 3.942 ( 0.358 -2.064 0.390) 2.131 3.958 ( 0.888 0.154 -0.942) 1.303 4.623 ( 2.031 0.140 -0.059) 2.037 4.626 ( 1.792 0.081 -0.304) 1.820 4.691 ( -0.434 0.512 0.743) 1.001 4.700 ( -0.426 0.638 -0.153) 0.782 4.950 ( 0.739 0.105 0.480) 0.888 4.955 ( 0.270 0.033 -0.067) 0.280 5.051 ( 0.961 -2.230 0.247) 2.441 5.062 ( 0.339 -2.586 -0.909) 2.762 5.725 ( 1.563 -0.230 0.101) 1.583 5.730 ( 1.191 -0.243 -0.452) 1.297 5.784 ( -1.271 0.380 0.566) 1.443 5.795 ( -1.473 0.160 -0.582) 1.592 6.113 ( 0.672 1.820 0.617) 2.035 6.125 ( 0.461 1.408 -0.540) 1.576 6.144 ( -0.368 1.217 0.761) 1.482 6.157 ( -0.633 1.054 -0.622) 1.378 6.315 ( 0.123 0.502 0.387) 0.646 6.320 ( -0.103 0.485 -0.139) 0.515 6.378 ( 1.077 -0.763 -0.162) 1.329 6.379 ( 0.991 -0.763 -0.230) 1.272 8.221 ( 1.357 1.807 1.465) 2.693 8.248 ( 0.488 1.272 -1.341) 1.911 8.277 ( -0.741 0.470 0.469) 0.995 8.286 ( -0.784 0.257 -0.533) 0.982 ======================= Grid point 143 (52/60) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -6.463 7.036 1.573) 9.682 1.206 ( 6.463 7.036 1.573) 9.682 1.369 ( -1.731 5.645 -3.092) 6.665 1.369 ( 1.731 5.645 -3.092) 6.665 1.564 ( -8.427 5.404 6.453) 11.910 1.564 ( 8.427 5.404 6.453) 11.910 1.711 ( -6.177 7.520 -7.304) 12.168 1.711 ( 6.177 7.520 -7.304) 12.168 1.958 ( -2.056 0.774 0.852) 2.356 1.958 ( 2.056 0.774 0.852) 2.356 2.000 ( -3.323 -2.982 0.956) 4.566 2.000 ( 3.323 -2.982 0.956) 4.566 2.020 ( -1.406 -0.796 0.941) 1.870 2.020 ( 1.406 -0.796 0.941) 1.870 2.177 ( -1.552 2.989 0.417) 3.394 2.177 ( 1.552 2.989 0.417) 3.394 2.222 ( -1.351 5.012 -1.359) 5.366 2.222 ( 1.351 5.012 -1.359) 5.366 2.255 ( -0.464 2.663 -0.556) 2.760 2.255 ( 0.464 2.663 -0.556) 2.760 2.423 ( -1.546 1.287 0.627) 2.107 2.423 ( 1.546 1.287 0.627) 2.107 2.511 ( -0.213 6.135 -0.809) 6.192 2.511 ( 0.213 6.135 -0.809) 6.192 2.690 ( -1.360 1.644 2.444) 3.244 2.690 ( 1.360 1.644 2.444) 3.244 2.772 ( -1.953 1.872 -0.642) 2.780 2.772 ( 1.953 1.872 -0.642) 2.780 2.874 ( -1.740 0.707 -0.478) 1.938 2.874 ( 1.740 0.707 -0.478) 1.938 2.929 ( -1.214 -0.741 0.945) 1.708 2.929 ( 1.214 -0.741 0.945) 1.708 3.150 ( -6.755 0.549 3.171) 7.483 3.150 ( 6.755 0.549 3.171) 7.483 3.282 ( -7.453 0.116 -4.371) 8.641 3.282 ( 7.453 0.116 -4.371) 8.641 3.401 ( -1.903 -4.143 1.625) 4.840 3.401 ( 1.903 -4.143 1.625) 4.840 3.446 ( -2.845 -0.023 -1.903) 3.423 3.446 ( 2.845 -0.023 -1.903) 3.423 3.532 ( -3.080 -0.632 1.642) 3.548 3.532 ( 3.081 -0.632 1.642) 3.548 3.594 ( -2.057 -0.111 -2.548) 3.277 3.594 ( 2.057 -0.111 -2.548) 3.277 3.927 ( -0.302 -0.791 1.182) 1.454 3.927 ( 0.302 -0.791 1.182) 1.454 3.959 ( -0.720 -0.939 0.490) 1.281 3.959 ( 0.720 -0.939 0.490) 1.281 4.646 ( -0.158 0.773 0.169) 0.807 4.646 ( 0.158 0.773 0.169) 0.807 4.689 ( -0.430 0.129 0.232) 0.506 4.689 ( 0.430 0.129 0.232) 0.506 4.958 ( -0.085 0.410 0.200) 0.464 4.958 ( 0.085 0.410 0.200) 0.464 5.063 ( -0.282 -2.506 -0.366) 2.548 5.063 ( 0.282 -2.506 -0.366) 2.548 5.753 ( -0.362 0.331 -0.216) 0.536 5.753 ( 0.362 0.331 -0.216) 0.536 5.764 ( -0.827 0.029 -0.085) 0.832 5.764 ( 0.827 0.029 -0.085) 0.832 6.126 ( -0.491 1.491 0.436) 1.629 6.126 ( 0.491 1.491 0.436) 1.629 6.145 ( -0.553 1.306 -0.344) 1.459 6.145 ( 0.553 1.306 -0.344) 1.459 6.318 ( -0.143 0.642 0.136) 0.672 6.318 ( 0.143 0.642 0.136) 0.672 6.389 ( -0.014 -0.831 -0.202) 0.856 6.389 ( 0.014 -0.831 -0.202) 0.856 8.245 ( -0.974 1.257 0.435) 1.649 8.245 ( 0.974 1.257 0.435) 1.649 8.272 ( -0.514 0.648 -0.417) 0.927 8.272 ( 0.514 0.648 -0.417) 0.927 ======================= Grid point 147 (53/60) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 7.696 3.642) 8.514 1.290 ( 0.000 3.360 1.006) 3.507 1.401 ( 0.000 10.631 1.927) 10.804 1.502 ( 0.000 6.139 -4.284) 7.486 1.689 ( 0.000 1.082 5.521) 5.627 1.734 ( 0.000 -1.749 -0.172) 1.757 1.816 ( 0.000 -2.356 1.178) 2.634 1.859 ( 0.000 -0.552 -1.784) 1.867 1.890 ( 0.000 -0.078 -0.214) 0.227 1.903 ( 0.000 -0.687 -1.674) 1.810 1.912 ( 0.000 -1.259 2.388) 2.700 1.960 ( 0.000 -0.754 -1.888) 2.033 2.153 ( 0.000 -0.727 0.768) 1.058 2.167 ( 0.000 0.155 1.631) 1.638 2.227 ( 0.000 9.099 3.108) 9.615 2.321 ( 0.000 4.147 0.374) 4.163 2.327 ( 0.000 5.486 -0.335) 5.496 2.335 ( 0.000 2.219 -5.160) 5.617 2.470 ( 0.000 1.483 0.814) 1.692 2.480 ( 0.000 1.055 0.151) 1.066 2.500 ( 0.000 4.680 1.536) 4.926 2.551 ( 0.000 2.601 -3.673) 4.501 2.553 ( 0.000 4.724 2.655) 5.419 2.605 ( 0.000 3.394 -2.927) 4.481 2.643 ( 0.000 2.973 0.824) 3.085 2.677 ( 0.000 5.455 -2.932) 6.193 2.707 ( 0.000 3.946 1.621) 4.266 2.733 ( 0.000 3.750 -1.352) 3.986 2.834 ( 0.000 -0.074 0.809) 0.812 2.861 ( 0.000 -0.168 -0.938) 0.953 2.927 ( 0.000 3.609 -1.537) 3.923 2.942 ( 0.000 1.867 -1.445) 2.361 3.032 ( 0.000 -3.175 1.945) 3.724 3.048 ( 0.000 -1.649 0.222) 1.664 3.174 ( 0.000 -0.135 0.896) 0.906 3.186 ( 0.000 -1.102 -0.408) 1.175 3.281 ( 0.000 -1.881 -0.409) 1.925 3.302 ( 0.000 -3.923 -2.690) 4.756 3.547 ( 0.000 -6.625 4.130) 7.807 3.582 ( 0.000 2.202 1.244) 2.529 3.592 ( 0.000 0.345 -0.252) 0.428 3.643 ( 0.000 -5.544 -5.747) 7.985 3.713 ( 0.000 3.035 3.104) 4.341 3.729 ( 0.000 4.849 1.719) 5.145 3.829 ( 0.000 -2.187 4.023) 4.579 3.832 ( 0.000 -2.520 0.761) 2.633 3.882 ( 0.000 -2.584 -1.845) 3.175 3.917 ( 0.000 -2.406 -2.429) 3.419 4.545 ( 0.000 -0.604 -0.697) 0.922 4.550 ( 0.000 -0.919 -1.385) 1.662 4.725 ( 0.000 1.265 0.631) 1.413 4.727 ( 0.000 1.401 0.371) 1.449 4.913 ( 0.000 -0.083 1.082) 1.085 4.934 ( 0.000 -0.468 -1.148) 1.240 4.983 ( 0.000 -1.978 0.476) 2.035 4.993 ( 0.000 -3.043 -0.528) 3.088 5.680 ( 0.000 -0.382 0.441) 0.583 5.687 ( 0.000 -0.654 -0.372) 0.752 5.817 ( 0.000 0.238 0.274) 0.363 5.822 ( 0.000 0.015 -0.307) 0.307 6.139 ( 0.000 1.889 0.258) 1.906 6.143 ( 0.000 1.305 -0.160) 1.315 6.165 ( 0.000 0.236 0.943) 0.972 6.178 ( 0.000 0.006 -0.498) 0.498 6.321 ( 0.000 -0.074 0.323) 0.331 6.323 ( 0.000 -0.210 0.082) 0.226 6.332 ( 0.000 -0.163 -0.096) 0.189 6.335 ( 0.000 -0.358 -0.500) 0.615 8.236 ( 0.000 2.174 1.507) 2.645 8.263 ( 0.000 1.049 -1.243) 1.627 8.292 ( 0.000 -0.088 0.227) 0.244 8.297 ( 0.000 -0.469 -0.332) 0.575 ======================= Grid point 148 (54/60) ======================= q-point: ( 0.17 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 1.815 9.399 4.325) 10.504 1.322 ( 2.860 4.314 0.291) 5.184 1.412 ( 1.222 8.840 2.556) 9.283 1.518 ( 1.535 4.758 -4.624) 6.810 1.646 ( -2.607 1.880 3.936) 5.081 1.708 ( -3.133 3.715 -2.761) 5.589 1.792 ( -0.962 -3.912 1.750) 4.393 1.818 ( -3.527 -2.492 -0.986) 4.429 1.886 ( 0.494 -0.067 0.738) 0.890 1.911 ( 0.127 -1.993 -0.395) 2.036 1.949 ( 0.988 -0.574 -0.351) 1.195 1.968 ( 0.737 -2.623 -1.409) 3.068 2.105 ( -3.150 0.243 2.718) 4.167 2.153 ( -1.676 -1.371 -1.831) 2.836 2.233 ( 0.030 7.914 3.862) 8.806 2.298 ( -2.026 3.324 -2.024) 4.387 2.307 ( -1.332 4.106 1.097) 4.453 2.335 ( -0.708 3.814 -2.069) 4.396 2.446 ( -3.025 4.714 1.423) 5.779 2.477 ( -3.531 0.998 0.184) 3.674 2.486 ( -1.834 1.629 0.404) 2.486 2.499 ( -1.471 5.182 -2.093) 5.779 2.555 ( 1.420 2.542 0.999) 3.078 2.585 ( -0.807 2.161 -1.833) 2.946 2.671 ( 0.705 1.333 -0.273) 1.532 2.677 ( 2.283 4.050 -0.864) 4.729 2.736 ( 1.635 3.233 1.281) 3.843 2.761 ( 2.630 3.532 -1.187) 4.561 2.830 ( 0.472 1.809 0.687) 1.992 2.860 ( -0.271 0.647 -2.369) 2.471 2.929 ( 0.742 2.789 1.176) 3.117 2.961 ( 0.870 0.085 -1.821) 2.020 3.051 ( 1.263 0.210 0.732) 1.475 3.063 ( 1.838 0.503 -0.475) 1.964 3.200 ( 2.873 -2.411 2.278) 4.389 3.230 ( 3.312 -2.440 -1.162) 4.275 3.298 ( 1.870 -0.951 -0.547) 2.168 3.317 ( 1.059 -3.522 -2.391) 4.387 3.512 ( -3.276 -4.572 2.630) 6.209 3.550 ( -3.707 -2.048 -0.914) 4.332 3.591 ( -1.265 0.941 1.530) 2.197 3.623 ( -0.418 0.100 -2.200) 2.241 3.680 ( -2.050 2.380 2.433) 3.973 3.714 ( -2.353 4.250 -1.268) 5.020 3.817 ( 1.020 -4.178 4.484) 6.213 3.869 ( 1.569 -1.320 1.861) 2.769 3.893 ( -0.069 -3.128 -2.017) 3.723 3.921 ( 1.022 -1.727 -2.339) 3.082 4.570 ( 2.394 -0.494 -0.660) 2.532 4.574 ( 2.269 -0.719 -1.091) 2.618 4.720 ( -0.514 1.184 0.902) 1.575 4.726 ( -0.218 1.173 0.240) 1.217 4.927 ( 1.262 0.050 0.735) 1.461 4.942 ( 0.720 -0.142 -0.777) 1.069 4.991 ( 0.726 -2.106 0.270) 2.244 4.999 ( 0.558 -2.871 -0.529) 2.972 5.692 ( 1.229 -0.219 0.345) 1.295 5.699 ( 1.132 -0.472 -0.376) 1.283 5.811 ( -0.634 0.329 0.312) 0.779 5.817 ( -0.574 0.036 -0.361) 0.679 6.141 ( 0.208 1.762 0.244) 1.791 6.145 ( 0.189 1.245 -0.137) 1.267 6.164 ( -0.034 0.402 0.872) 0.961 6.177 ( -0.120 0.137 -0.489) 0.522 6.320 ( 0.206 0.308 0.405) 0.549 6.328 ( 0.143 0.265 -0.400) 0.501 6.341 ( 1.031 -0.642 0.153) 1.224 6.346 ( 0.855 -0.576 -0.384) 1.100 8.242 ( 0.526 1.994 1.313) 2.444 8.265 ( 0.205 1.006 -1.097) 1.503 8.290 ( -0.209 0.013 0.223) 0.306 8.295 ( -0.215 -0.323 -0.307) 0.494 ======================= Grid point 149 (55/60) ======================= q-point: ( 0.33 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 3.008 11.064 4.257) 12.230 1.374 ( 2.001 6.820 -3.214) 7.801 1.447 ( 1.995 4.541 5.397) 7.330 1.532 ( -1.156 4.309 -3.062) 5.411 1.612 ( -0.772 5.587 1.700) 5.891 1.675 ( 0.585 2.629 -4.345) 5.112 1.756 ( -2.851 -1.871 0.468) 3.442 1.781 ( -0.179 -3.084 -1.506) 3.436 1.881 ( -0.880 -3.125 0.677) 3.316 1.899 ( -0.868 -3.885 -1.024) 4.111 1.937 ( -1.296 -2.538 1.729) 3.333 1.975 ( -1.206 -3.386 -1.581) 3.927 2.071 ( 0.355 2.736 2.738) 3.888 2.127 ( -0.472 2.281 -3.128) 3.900 2.221 ( -1.134 4.444 3.371) 5.692 2.261 ( -1.946 2.706 -1.015) 3.484 2.284 ( -0.538 3.093 1.214) 3.366 2.316 ( -0.667 3.257 -1.727) 3.747 2.370 ( -4.966 2.819 -0.880) 5.777 2.375 ( -4.129 3.912 -1.071) 5.788 2.450 ( -1.395 2.491 2.158) 3.580 2.475 ( -1.952 1.823 -0.270) 2.685 2.582 ( 0.207 1.402 0.102) 1.421 2.589 ( 0.471 0.934 -0.779) 1.304 2.700 ( 2.957 1.747 2.280) 4.123 2.746 ( 3.476 0.269 -2.172) 4.107 2.756 ( 1.474 4.057 3.307) 5.438 2.815 ( 2.265 1.855 -2.235) 3.683 2.862 ( 0.961 2.048 -0.453) 2.307 2.869 ( 3.017 4.616 -0.189) 5.517 2.940 ( 0.206 0.679 0.950) 1.186 2.968 ( -0.398 1.234 -1.810) 2.227 3.078 ( 1.540 0.426 0.628) 1.717 3.095 ( 0.874 -0.299 -1.388) 1.667 3.252 ( 0.918 -6.163 2.468) 6.702 3.279 ( 2.043 -3.733 0.750) 4.321 3.309 ( -1.055 -1.136 0.861) 1.773 3.362 ( 3.029 0.549 -3.490) 4.654 3.443 ( -3.396 -0.380 1.329) 3.667 3.472 ( -2.283 -2.166 -1.686) 3.571 3.564 ( -0.882 4.183 2.954) 5.196 3.614 ( -1.262 2.035 -2.058) 3.157 3.636 ( -2.039 2.033 0.790) 2.986 3.662 ( -2.833 2.066 -1.080) 3.669 3.854 ( 2.489 -3.492 1.597) 4.576 3.885 ( 0.327 -1.881 -0.948) 2.132 3.898 ( 0.659 -2.973 2.257) 3.791 3.934 ( -0.177 -2.578 -1.603) 3.040 4.624 ( 2.769 -0.041 -0.232) 2.779 4.626 ( 2.837 -0.109 -0.399) 2.867 4.705 ( -1.051 0.826 1.069) 1.711 4.714 ( -1.064 0.654 0.100) 1.253 4.953 ( 1.159 0.281 0.211) 1.211 4.958 ( 0.823 0.348 -0.308) 0.946 5.007 ( 0.749 -2.190 -0.059) 2.315 5.011 ( 0.528 -2.515 -0.461) 2.611 5.724 ( 2.004 0.079 0.072) 2.006 5.727 ( 1.770 -0.049 -0.298) 1.795 5.792 ( -1.271 0.429 0.225) 1.360 5.798 ( -1.392 0.141 -0.385) 1.451 6.147 ( 0.355 1.461 0.265) 1.526 6.150 ( 0.340 1.116 -0.081) 1.170 6.163 ( -0.059 0.705 0.597) 0.926 6.173 ( -0.330 0.436 -0.368) 0.659 6.327 ( 0.437 0.744 0.252) 0.899 6.331 ( 0.213 0.689 -0.205) 0.750 6.361 ( 0.929 -0.930 -0.066) 1.316 6.363 ( 0.800 -0.860 -0.242) 1.199 8.255 ( 0.781 1.533 0.854) 1.921 8.270 ( 0.288 0.895 -0.725) 1.187 8.285 ( -0.372 0.271 0.238) 0.519 8.289 ( -0.362 0.018 -0.282) 0.459 ======================= Grid point 150 (56/60) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -3.194 8.951 1.130) 9.571 1.367 ( 3.194 8.951 1.130) 9.571 1.483 ( -2.875 5.497 -0.656) 6.238 1.483 ( 2.875 5.497 -0.656) 6.238 1.651 ( -4.176 3.432 2.799) 6.087 1.651 ( 4.176 3.432 2.799) 6.087 1.752 ( -2.938 -2.858 -4.841) 6.343 1.752 ( 2.938 -2.858 -4.841) 6.343 1.894 ( -2.159 -4.423 1.714) 5.212 1.894 ( 2.159 -4.423 1.714) 5.212 1.925 ( -2.887 -3.998 -1.229) 5.083 1.925 ( 2.887 -3.998 -1.229) 5.083 2.111 ( -2.347 7.092 1.028) 7.541 2.111 ( 2.347 7.092 1.028) 7.541 2.217 ( -1.777 1.459 -0.722) 2.410 2.217 ( 1.777 1.459 -0.722) 2.410 2.298 ( -2.004 1.691 0.881) 2.767 2.298 ( 2.004 1.691 0.881) 2.767 2.325 ( -1.440 2.308 -1.773) 3.246 2.325 ( 1.440 2.308 -1.773) 3.246 2.443 ( -0.857 2.611 0.922) 2.899 2.443 ( 0.857 2.611 0.922) 2.899 2.584 ( -0.346 0.221 0.243) 0.477 2.584 ( 0.345 0.221 0.243) 0.477 2.751 ( -1.367 4.333 2.534) 5.202 2.751 ( 1.367 4.333 2.534) 5.202 2.814 ( -1.975 1.827 -2.466) 3.649 2.814 ( 1.975 1.827 -2.466) 3.649 2.915 ( -3.177 0.443 0.987) 3.357 2.915 ( 3.177 0.444 0.987) 3.357 2.934 ( -3.185 3.356 -0.570) 4.662 2.934 ( 3.185 3.356 -0.570) 4.662 3.097 ( -0.354 -3.545 -0.480) 3.595 3.097 ( 0.354 -3.545 -0.480) 3.595 3.259 ( -1.311 -5.068 0.046) 5.235 3.259 ( 1.311 -5.068 0.046) 5.235 3.347 ( -2.761 2.243 2.758) 4.501 3.347 ( 2.761 2.243 2.758) 4.501 3.446 ( -1.541 -0.648 -1.857) 2.498 3.446 ( 1.541 -0.648 -1.857) 2.498 3.574 ( -1.976 3.743 0.398) 4.251 3.574 ( 1.976 3.743 0.398) 4.251 3.623 ( -0.705 2.101 -1.506) 2.679 3.623 ( 0.705 2.101 -1.506) 2.679 3.889 ( -0.445 -2.581 0.473) 2.661 3.889 ( 0.445 -2.581 0.473) 2.661 3.914 ( -1.465 -3.346 0.268) 3.663 3.914 ( 1.464 -3.346 0.268) 3.663 4.663 ( -0.471 0.925 0.277) 1.075 4.663 ( 0.471 0.925 0.277) 1.075 4.689 ( -0.731 -0.202 0.319) 0.823 4.689 ( 0.731 -0.202 0.319) 0.823 4.966 ( -0.142 0.466 -0.102) 0.498 4.966 ( 0.142 0.466 -0.102) 0.498 5.015 ( -0.092 -2.254 -0.292) 2.274 5.015 ( 0.092 -2.254 -0.292) 2.274 5.761 ( -0.524 0.420 -0.178) 0.695 5.761 ( 0.524 0.420 -0.178) 0.694 5.766 ( -0.787 0.116 -0.106) 0.802 5.766 ( 0.787 0.116 -0.106) 0.802 6.153 ( -0.189 1.200 0.259) 1.242 6.153 ( 0.189 1.200 0.259) 1.242 6.165 ( -0.346 0.694 -0.063) 0.778 6.165 ( 0.346 0.694 -0.063) 0.778 6.333 ( -0.116 0.886 0.030) 0.894 6.333 ( 0.116 0.886 0.030) 0.894 6.371 ( -0.028 -0.997 -0.164) 1.011 6.371 ( 0.028 -0.997 -0.164) 1.011 8.269 ( -0.551 1.030 0.256) 1.196 8.269 ( 0.551 1.030 0.256) 1.196 8.282 ( -0.278 0.332 -0.224) 0.487 8.282 ( 0.278 0.332 -0.224) 0.487 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.000 -0.965 0.206) 0.987 1.319 ( 0.000 0.966 0.207) 0.987 1.557 ( 0.000 -3.367 -1.757) 3.798 1.557 ( 0.000 3.367 -1.757) 3.798 1.697 ( 0.000 -0.445 7.085) 7.099 1.697 ( 0.000 0.446 7.085) 7.099 1.799 ( 0.000 -2.001 0.616) 2.093 1.799 ( 0.000 2.001 0.616) 2.093 1.888 ( 0.000 -0.304 0.835) 0.889 1.888 ( 0.000 0.304 0.835) 0.889 1.938 ( 0.000 -1.893 -5.855) 6.153 1.938 ( 0.000 1.893 -5.855) 6.153 2.151 ( 0.000 -0.625 1.138) 1.298 2.151 ( 0.000 0.625 1.138) 1.299 2.327 ( 0.000 -2.450 1.290) 2.769 2.327 ( 0.000 2.450 1.290) 2.769 2.381 ( 0.000 -1.061 -1.553) 1.881 2.381 ( 0.000 1.061 -1.553) 1.881 2.481 ( 0.000 -0.044 0.810) 0.811 2.481 ( 0.000 0.044 0.810) 0.811 2.550 ( 0.000 -0.984 -1.046) 1.436 2.550 ( 0.000 0.984 -1.046) 1.436 2.615 ( 0.000 -1.495 -0.339) 1.533 2.615 ( 0.000 1.495 -0.339) 1.533 2.734 ( 0.000 -4.048 1.524) 4.325 2.734 ( 0.000 4.048 1.524) 4.325 2.780 ( 0.000 -1.056 -1.479) 1.817 2.780 ( 0.000 1.056 -1.479) 1.818 2.871 ( 0.000 -3.971 0.458) 3.997 2.871 ( 0.000 3.971 0.457) 3.997 2.916 ( 0.000 -1.935 0.451) 1.987 2.916 ( 0.000 1.935 0.451) 1.987 3.030 ( 0.000 -1.217 -0.427) 1.290 3.030 ( 0.000 1.217 -0.427) 1.290 3.194 ( 0.000 -0.074 -1.957) 1.958 3.194 ( 0.000 0.074 -1.957) 1.958 3.252 ( 0.000 -0.004 -0.664) 0.664 3.252 ( 0.000 0.004 -0.664) 0.664 3.501 ( 0.000 -3.225 -0.808) 3.325 3.501 ( 0.000 3.225 -0.808) 3.325 3.619 ( 0.000 -1.101 -0.310) 1.144 3.619 ( 0.000 1.101 -0.310) 1.144 3.754 ( 0.000 -0.641 6.616) 6.647 3.754 ( 0.000 0.641 6.616) 6.647 3.822 ( 0.000 -2.340 -0.452) 2.383 3.822 ( 0.000 2.340 -0.452) 2.384 3.863 ( 0.000 -3.355 -2.828) 4.388 3.863 ( 0.000 3.355 -2.828) 4.388 4.540 ( 0.000 -0.129 -1.210) 1.217 4.540 ( 0.000 0.129 -1.210) 1.217 4.741 ( 0.000 -0.156 0.662) 0.680 4.741 ( 0.000 0.156 0.662) 0.680 4.927 ( 0.000 -1.077 -0.090) 1.081 4.927 ( 0.000 1.077 -0.090) 1.081 4.955 ( 0.000 -0.235 -0.059) 0.242 4.955 ( 0.000 0.235 -0.059) 0.242 5.679 ( 0.000 -0.215 0.089) 0.233 5.679 ( 0.000 0.215 0.089) 0.233 5.821 ( 0.000 -0.145 -0.099) 0.176 5.821 ( 0.000 0.145 -0.099) 0.176 6.161 ( 0.000 -0.389 0.465) 0.606 6.161 ( 0.000 0.389 0.465) 0.606 6.169 ( 0.000 -0.849 -0.177) 0.867 6.169 ( 0.000 0.849 -0.177) 0.867 6.320 ( 0.000 -0.053 0.293) 0.298 6.320 ( 0.000 0.053 0.293) 0.298 6.331 ( 0.000 -0.098 -0.404) 0.416 6.331 ( 0.000 0.098 -0.404) 0.416 8.267 ( 0.000 -0.814 0.313) 0.872 8.267 ( 0.000 0.814 0.313) 0.872 8.290 ( 0.000 -0.005 -0.233) 0.233 8.290 ( 0.000 0.005 -0.233) 0.233 ======================= Grid point 156 (58/60) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 3.946 -1.208 0.643) 4.177 1.361 ( 3.946 1.208 0.643) 4.177 1.543 ( -0.987 -3.888 -0.075) 4.012 1.543 ( -0.987 3.888 -0.075) 4.012 1.702 ( 0.496 -4.496 3.718) 5.855 1.702 ( 0.496 4.496 3.718) 5.855 1.767 ( -3.013 -2.177 -0.686) 3.780 1.767 ( -3.013 2.177 -0.686) 3.780 1.887 ( -0.957 -1.106 0.655) 1.602 1.887 ( -0.957 1.106 0.655) 1.602 1.932 ( -0.196 -0.690 -3.927) 3.992 1.932 ( -0.196 0.690 -3.927) 3.992 2.123 ( -1.869 -1.516 1.045) 2.623 2.123 ( -1.869 1.516 1.045) 2.623 2.310 ( -1.617 -1.586 0.993) 2.473 2.310 ( -1.617 1.586 0.993) 2.473 2.369 ( -1.223 -1.267 -1.187) 2.124 2.369 ( -1.223 1.267 -1.187) 2.124 2.466 ( -2.770 -0.428 0.987) 2.972 2.466 ( -2.770 0.428 0.987) 2.972 2.541 ( 0.207 -1.325 -0.534) 1.443 2.541 ( 0.207 1.325 -0.534) 1.443 2.595 ( -1.809 -1.080 -0.344) 2.135 2.595 ( -1.809 1.080 -0.344) 2.135 2.705 ( -1.678 -2.219 1.336) 3.086 2.705 ( -1.678 2.219 1.336) 3.086 2.799 ( 1.673 -1.527 -2.067) 3.067 2.799 ( 1.673 1.527 -2.067) 3.067 2.892 ( 1.548 -5.336 1.761) 5.828 2.892 ( 1.548 5.336 1.761) 5.828 2.930 ( 1.501 -4.074 -1.438) 4.574 2.930 ( 1.501 4.074 -1.438) 4.574 3.054 ( 1.945 -0.763 0.389) 2.126 3.054 ( 1.945 0.763 0.389) 2.126 3.211 ( 1.040 -1.484 -0.765) 1.967 3.211 ( 1.040 1.484 -0.765) 1.967 3.279 ( 2.718 -0.427 -1.152) 2.982 3.279 ( 2.718 0.427 -1.152) 2.983 3.475 ( -2.143 -2.177 -0.694) 3.132 3.475 ( -2.143 2.177 -0.694) 3.133 3.622 ( 0.190 -1.061 0.146) 1.087 3.622 ( 0.190 1.061 0.146) 1.088 3.734 ( -2.434 -2.892 3.406) 5.088 3.734 ( -2.434 2.892 3.406) 5.088 3.811 ( 0.337 -4.244 1.845) 4.640 3.811 ( 0.336 4.244 1.845) 4.640 3.881 ( 0.835 -1.795 -2.839) 3.460 3.881 ( 0.835 1.795 -2.839) 3.461 4.566 ( 2.494 -0.103 -1.005) 2.691 4.566 ( 2.494 0.103 -1.005) 2.691 4.736 ( -0.527 -0.271 0.759) 0.963 4.736 ( -0.527 0.271 0.759) 0.963 4.940 ( 1.227 -0.902 -0.205) 1.536 4.940 ( 1.227 0.902 -0.205) 1.536 4.962 ( 0.672 -0.381 -0.048) 0.773 4.962 ( 0.672 0.381 -0.048) 0.773 5.692 ( 1.337 -0.187 0.031) 1.351 5.692 ( 1.337 0.187 0.031) 1.351 5.816 ( -0.545 -0.170 -0.094) 0.579 5.816 ( -0.545 0.170 -0.094) 0.579 6.161 ( 0.016 -0.225 0.384) 0.445 6.161 ( 0.016 0.225 0.384) 0.445 6.171 ( 0.148 -0.649 -0.111) 0.675 6.171 ( 0.148 0.649 -0.111) 0.675 6.328 ( 0.723 -0.473 0.220) 0.892 6.328 ( 0.723 0.473 0.220) 0.892 6.336 ( 0.474 -0.390 -0.353) 0.708 6.336 ( 0.474 0.390 -0.353) 0.708 8.270 ( 0.232 -0.711 0.264) 0.794 8.270 ( 0.232 0.711 0.264) 0.794 8.290 ( -0.069 -0.065 -0.196) 0.217 8.290 ( -0.069 0.065 -0.196) 0.217 ======================= Grid point 158 (59/60) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 4.342 -1.548 0.978) 4.712 1.446 ( 4.342 1.548 0.978) 4.712 1.534 ( 0.030 -4.321 1.207) 4.486 1.534 ( 0.030 4.321 1.207) 4.486 1.690 ( -2.404 -2.079 -0.732) 3.261 1.690 ( -2.404 2.079 -0.732) 3.261 1.728 ( -0.379 -1.138 -1.800) 2.163 1.728 ( -0.379 1.138 -1.800) 2.163 1.846 ( -1.953 -0.603 1.062) 2.304 1.846 ( -1.953 0.603 1.062) 2.304 1.918 ( -2.026 -1.421 -1.223) 2.760 1.918 ( -2.026 1.421 -1.223) 2.760 2.126 ( 2.807 -2.033 0.294) 3.478 2.126 ( 2.807 2.033 0.294) 3.478 2.278 ( -1.567 -1.050 1.041) 2.154 2.278 ( -1.567 1.050 1.041) 2.154 2.339 ( -1.639 -1.089 -0.910) 2.168 2.339 ( -1.639 1.089 -0.910) 2.168 2.377 ( -5.531 -0.718 0.088) 5.578 2.377 ( -5.531 0.718 0.088) 5.578 2.540 ( -0.770 -3.344 0.925) 3.554 2.540 ( -0.770 3.344 0.925) 3.554 2.557 ( -1.925 -2.363 0.035) 3.048 2.557 ( -1.925 2.363 0.035) 3.048 2.729 ( 4.427 -1.397 0.159) 4.645 2.729 ( 4.427 1.397 0.159) 4.645 2.829 ( 1.091 -1.673 -1.508) 2.503 2.829 ( 1.091 1.673 -1.508) 2.503 2.914 ( 0.778 -3.214 0.914) 3.431 2.914 ( 0.778 3.214 0.914) 3.431 2.957 ( 0.408 -2.145 -1.641) 2.731 2.957 ( 0.408 2.145 -1.641) 2.731 3.092 ( 2.017 -1.571 0.913) 2.714 3.092 ( 2.017 1.571 0.913) 2.714 3.199 ( -2.665 -2.675 0.205) 3.781 3.199 ( -2.665 2.675 0.205) 3.781 3.346 ( 3.892 -3.055 -0.217) 4.952 3.346 ( 3.892 3.055 -0.217) 4.953 3.443 ( -1.060 -1.041 -0.519) 1.574 3.443 ( -1.060 1.041 -0.519) 1.574 3.624 ( 0.118 -1.323 1.080) 1.712 3.624 ( 0.118 1.323 1.080) 1.712 3.677 ( -2.903 -1.334 0.367) 3.216 3.677 ( -2.903 1.334 0.367) 3.216 3.833 ( 1.522 -2.326 2.228) 3.562 3.833 ( 1.522 2.326 2.228) 3.562 3.883 ( -0.557 -1.793 -2.571) 3.183 3.883 ( -0.557 1.793 -2.571) 3.184 4.624 ( 3.205 -0.076 -0.352) 3.225 4.624 ( 3.205 0.076 -0.352) 3.225 4.718 ( -1.445 -0.350 0.758) 1.669 4.718 ( -1.445 0.350 0.758) 1.669 4.966 ( 1.246 -0.698 -0.312) 1.461 4.966 ( 1.246 0.698 -0.312) 1.461 4.976 ( 0.659 -0.508 -0.119) 0.840 4.976 ( 0.659 0.508 -0.119) 0.840 5.726 ( 2.070 -0.093 -0.083) 2.074 5.726 ( 2.070 0.093 -0.083) 2.074 5.798 ( -1.290 -0.154 -0.115) 1.304 5.798 ( -1.290 0.154 -0.115) 1.304 6.163 ( 0.227 -0.094 0.243) 0.346 6.163 ( 0.227 0.094 0.243) 0.346 6.172 ( -0.039 -0.373 0.009) 0.376 6.172 ( -0.039 0.373 0.009) 0.376 6.343 ( 0.734 -0.866 0.066) 1.137 6.343 ( 0.734 0.866 0.066) 1.137 6.346 ( 0.524 -0.787 -0.228) 0.972 6.346 ( 0.524 0.787 -0.228) 0.972 8.276 ( 0.360 -0.480 0.150) 0.619 8.276 ( 0.360 0.480 0.150) 0.619 8.287 ( -0.189 -0.139 -0.102) 0.256 8.287 ( -0.189 0.139 -0.102) 0.256 ======================= Grid point 160 (60/60) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -1.978 -4.337 0.728) 4.822 1.516 ( 1.024 -4.253 0.728) 4.435 1.516 ( -1.024 4.253 0.728) 4.435 1.516 ( 1.978 4.337 0.728) 4.822 1.686 ( -2.538 -1.967 -1.003) 3.364 1.686 ( 2.508 -1.958 -1.003) 3.336 1.686 ( -2.508 1.958 -1.003) 3.336 1.686 ( 2.538 1.967 -1.003) 3.364 1.864 ( -2.633 -1.554 -0.219) 3.066 1.864 ( -0.817 -0.922 -0.219) 1.251 1.864 ( 0.817 0.922 -0.219) 1.251 1.864 ( 2.633 1.554 -0.219) 3.066 2.215 ( -4.916 -2.583 0.636) 5.589 2.215 ( -1.842 -1.216 0.636) 2.297 2.215 ( 1.842 1.216 0.636) 2.297 2.215 ( 4.916 2.583 0.636) 5.589 2.317 ( -0.137 -1.449 -0.607) 1.577 2.317 ( 0.132 -1.449 -0.607) 1.576 2.317 ( -0.132 1.449 -0.607) 1.576 2.317 ( 0.137 1.449 -0.607) 1.577 2.532 ( -0.300 -4.787 0.691) 4.846 2.532 ( 0.287 -4.787 0.691) 4.845 2.532 ( -0.287 4.787 0.691) 4.845 2.532 ( 0.300 4.787 0.691) 4.846 2.819 ( -2.940 -1.820 -0.406) 3.481 2.819 ( 0.473 -1.099 -0.406) 1.263 2.819 ( -0.473 1.099 -0.406) 1.263 2.819 ( 2.940 1.820 -0.406) 3.481 2.935 ( -1.363 -1.892 -0.876) 2.491 2.935 ( 0.231 -1.769 -0.876) 1.988 2.935 ( -0.231 1.769 -0.876) 1.988 2.935 ( 1.363 1.893 -0.876) 2.491 3.138 ( -1.892 -6.097 0.951) 6.454 3.138 ( 0.869 -6.039 0.950) 6.175 3.138 ( -0.869 6.039 0.950) 6.175 3.138 ( 1.892 6.097 0.951) 6.454 3.412 ( -2.522 -3.012 0.072) 3.929 3.412 ( 2.026 -2.918 0.072) 3.553 3.412 ( -2.026 2.918 0.072) 3.553 3.412 ( 2.522 3.013 0.072) 3.929 3.635 ( -1.022 -1.582 0.494) 1.947 3.635 ( 0.256 -1.503 0.494) 1.602 3.635 ( -0.256 1.503 0.494) 1.602 3.635 ( 1.022 1.582 0.494) 1.947 3.863 ( -1.460 -0.819 -0.512) 1.750 3.863 ( 1.023 -0.632 -0.512) 1.307 3.863 ( -1.023 0.633 -0.512) 1.307 3.863 ( 1.460 0.819 -0.512) 1.750 4.680 ( -2.289 -0.494 0.378) 2.372 4.680 ( -2.096 -0.180 0.378) 2.138 4.680 ( 2.096 0.180 0.378) 2.138 4.680 ( 2.289 0.494 0.378) 2.372 4.981 ( -0.148 -1.222 -0.260) 1.258 4.981 ( 0.104 -1.221 -0.260) 1.252 4.981 ( -0.104 1.221 -0.260) 1.252 4.981 ( 0.148 1.222 -0.260) 1.258 5.767 ( -1.957 -0.064 -0.139) 1.963 5.767 ( -1.954 0.030 -0.139) 1.959 5.767 ( 1.954 -0.030 -0.139) 1.959 5.767 ( 1.957 0.064 -0.139) 1.963 6.169 ( -0.233 -0.325 0.125) 0.419 6.169 ( 0.036 -0.304 0.125) 0.330 6.169 ( -0.036 0.304 0.125) 0.330 6.169 ( 0.233 0.325 0.125) 0.419 6.352 ( -0.072 -1.011 -0.085) 1.017 6.352 ( 0.072 -1.011 -0.085) 1.017 6.352 ( -0.072 1.011 -0.085) 1.017 6.352 ( 0.072 1.011 -0.085) 1.017 8.283 ( -0.284 -0.348 0.019) 0.449 8.283 ( 0.130 -0.324 0.019) 0.350 8.283 ( -0.130 0.324 0.019) 0.350 8.283 ( 0.284 0.348 0.019) 0.449 =================== 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 3/17280 10.0 241.050 235.215 241.053 0.000 0.000 -0.000 3/17280 20.0 38.181 44.632 37.962 0.000 0.000 0.000 3/17280 30.0 15.011 18.590 15.001 0.000 0.000 0.000 3/17280 40.0 8.683 11.091 8.647 0.000 0.000 -0.000 3/17280 50.0 6.027 7.844 5.972 0.000 0.000 -0.000 3/17280 60.0 4.613 6.073 4.552 0.000 0.000 -0.000 3/17280 70.0 3.743 4.965 3.682 0.000 0.000 -0.000 3/17280 80.0 3.155 4.208 3.097 0.000 0.000 -0.000 3/17280 90.0 2.732 3.656 2.677 0.000 0.000 -0.000 3/17280 100.0 2.412 3.237 2.360 0.000 0.000 -0.000 3/17280 110.0 2.161 2.906 2.113 0.000 0.000 -0.000 3/17280 120.0 1.959 2.639 1.914 0.000 0.000 -0.000 3/17280 130.0 1.793 2.418 1.750 0.000 0.000 -0.000 3/17280 140.0 1.653 2.232 1.613 0.000 0.000 -0.000 3/17280 150.0 1.534 2.074 1.497 0.000 0.000 -0.000 3/17280 160.0 1.432 1.937 1.396 0.000 0.000 -0.000 3/17280 170.0 1.343 1.817 1.309 0.000 0.000 -0.000 3/17280 180.0 1.264 1.712 1.232 0.000 0.000 -0.000 3/17280 190.0 1.195 1.618 1.164 0.000 0.000 -0.000 3/17280 200.0 1.132 1.535 1.103 0.000 0.000 -0.000 3/17280 210.0 1.076 1.459 1.048 0.000 0.000 -0.000 3/17280 220.0 1.026 1.391 0.999 0.000 0.000 -0.000 3/17280 230.0 0.980 1.329 0.954 0.000 0.000 -0.000 3/17280 240.0 0.938 1.273 0.913 0.000 0.000 -0.000 3/17280 250.0 0.899 1.221 0.875 0.000 0.000 -0.000 3/17280 260.0 0.864 1.173 0.841 0.000 0.000 -0.000 3/17280 270.0 0.831 1.129 0.809 0.000 0.000 -0.000 3/17280 280.0 0.801 1.088 0.779 0.000 0.000 -0.000 3/17280 290.0 0.773 1.050 0.752 0.000 0.000 -0.000 3/17280 300.0 0.747 1.014 0.727 0.000 0.000 -0.000 3/17280 310.0 0.722 0.981 0.703 0.000 0.000 -0.000 3/17280 320.0 0.699 0.950 0.680 0.000 0.000 -0.000 3/17280 330.0 0.678 0.921 0.659 0.000 0.000 -0.000 3/17280 340.0 0.658 0.894 0.640 0.000 0.000 -0.000 3/17280 350.0 0.639 0.868 0.621 0.000 0.000 -0.000 3/17280 360.0 0.621 0.844 0.604 0.000 0.000 -0.000 3/17280 370.0 0.604 0.821 0.587 0.000 0.000 -0.000 3/17280 380.0 0.588 0.799 0.572 0.000 0.000 -0.000 3/17280 390.0 0.573 0.779 0.557 0.000 0.000 -0.000 3/17280 400.0 0.558 0.759 0.543 0.000 0.000 -0.000 3/17280 410.0 0.545 0.741 0.529 0.000 0.000 -0.000 3/17280 420.0 0.532 0.723 0.517 0.000 0.000 -0.000 3/17280 430.0 0.519 0.706 0.505 0.000 0.000 -0.000 3/17280 440.0 0.507 0.690 0.493 0.000 0.000 -0.000 3/17280 450.0 0.496 0.675 0.482 0.000 0.000 -0.000 3/17280 460.0 0.485 0.660 0.472 0.000 0.000 -0.000 3/17280 470.0 0.475 0.646 0.461 0.000 0.000 -0.000 3/17280 480.0 0.465 0.632 0.452 0.000 0.000 -0.000 3/17280 490.0 0.455 0.619 0.443 0.000 0.000 -0.000 3/17280 500.0 0.446 0.607 0.434 0.000 0.000 -0.000 3/17280 510.0 0.437 0.595 0.425 0.000 0.000 -0.000 3/17280 520.0 0.429 0.584 0.417 0.000 0.000 -0.000 3/17280 530.0 0.421 0.573 0.409 0.000 0.000 -0.000 3/17280 540.0 0.413 0.562 0.401 0.000 0.000 -0.000 3/17280 550.0 0.405 0.552 0.394 0.000 0.000 -0.000 3/17280 560.0 0.398 0.542 0.387 0.000 0.000 -0.000 3/17280 570.0 0.391 0.532 0.380 0.000 0.000 -0.000 3/17280 580.0 0.384 0.523 0.374 0.000 0.000 -0.000 3/17280 590.0 0.378 0.514 0.367 0.000 0.000 -0.000 3/17280 600.0 0.372 0.506 0.361 0.000 0.000 -0.000 3/17280 610.0 0.365 0.497 0.355 0.000 0.000 -0.000 3/17280 620.0 0.360 0.489 0.349 0.000 0.000 -0.000 3/17280 630.0 0.354 0.482 0.344 0.000 0.000 -0.000 3/17280 640.0 0.348 0.474 0.338 0.000 0.000 -0.000 3/17280 650.0 0.343 0.467 0.333 0.000 0.000 -0.000 3/17280 660.0 0.338 0.460 0.328 0.000 0.000 -0.000 3/17280 670.0 0.333 0.453 0.323 0.000 0.000 -0.000 3/17280 680.0 0.328 0.446 0.319 0.000 0.000 -0.000 3/17280 690.0 0.323 0.440 0.314 0.000 0.000 -0.000 3/17280 700.0 0.318 0.434 0.309 0.000 0.000 -0.000 3/17280 710.0 0.314 0.427 0.305 0.000 0.000 -0.000 3/17280 720.0 0.310 0.422 0.301 0.000 0.000 -0.000 3/17280 730.0 0.305 0.416 0.297 0.000 0.000 -0.000 3/17280 740.0 0.301 0.410 0.293 0.000 0.000 -0.000 3/17280 750.0 0.297 0.405 0.289 0.000 0.000 -0.000 3/17280 760.0 0.293 0.399 0.285 0.000 0.000 -0.000 3/17280 770.0 0.289 0.394 0.281 0.000 0.000 -0.000 3/17280 780.0 0.286 0.389 0.278 0.000 0.000 -0.000 3/17280 790.0 0.282 0.384 0.274 0.000 0.000 -0.000 3/17280 800.0 0.279 0.379 0.271 0.000 0.000 -0.000 3/17280 810.0 0.275 0.375 0.267 0.000 0.000 -0.000 3/17280 820.0 0.272 0.370 0.264 0.000 0.000 -0.000 3/17280 830.0 0.269 0.366 0.261 0.000 0.000 -0.000 3/17280 840.0 0.265 0.361 0.258 0.000 0.000 -0.000 3/17280 850.0 0.262 0.357 0.255 0.000 0.000 -0.000 3/17280 860.0 0.259 0.353 0.252 0.000 0.000 -0.000 3/17280 870.0 0.256 0.349 0.249 0.000 0.000 -0.000 3/17280 880.0 0.253 0.345 0.246 0.000 0.000 -0.000 3/17280 890.0 0.250 0.341 0.243 0.000 0.000 -0.000 3/17280 900.0 0.248 0.337 0.241 0.000 0.000 -0.000 3/17280 910.0 0.245 0.334 0.238 0.000 0.000 -0.000 3/17280 920.0 0.242 0.330 0.235 0.000 0.000 -0.000 3/17280 930.0 0.240 0.326 0.233 0.000 0.000 -0.000 3/17280 940.0 0.237 0.323 0.230 0.000 0.000 -0.000 3/17280 950.0 0.235 0.320 0.228 0.000 0.000 -0.000 3/17280 960.0 0.232 0.316 0.226 0.000 0.000 -0.000 3/17280 970.0 0.230 0.313 0.223 0.000 0.000 -0.000 3/17280 980.0 0.227 0.310 0.221 0.000 0.000 -0.000 3/17280 990.0 0.225 0.307 0.219 0.000 0.000 -0.000 3/17280 1000.0 0.223 0.304 0.217 0.000 0.000 -0.000 3/17280 Thermal conductivity related properties were written into "kappa-m685.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:49:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|