----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:27:33]------------------------- 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: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.233759013378929 0.000000000000000 0.000000000000000 b -4.616879506689465 7.996669878009686 0.000000000000000 c 0.000000000000000 0.000000000000000 5.500326090000000 Atomic positions (fractional): *1 Tm 0.33333333333333 0.66666666666667 0.75000000000000 168.934 2 Tm 0.66666666666667 0.33333333333333 0.25000000000000 168.934 *3 Cl 0.29534001005070 0.39065861698394 0.25000000000000 35.453 4 Cl 0.60934138301606 0.90468139306676 0.25000000000000 35.453 5 Cl 0.09531860693324 0.70465998994930 0.25000000000000 35.453 6 Cl 0.90468139306676 0.29534001005070 0.75000000000000 35.453 7 Cl 0.39065861698394 0.09531860693324 0.75000000000000 35.453 8 Cl 0.70465998994930 0.60934138301606 0.75000000000000 35.453 *9 O 0.19247791385034 0.21518603318816 0.25000000000000 15.999 *10 O 0.52695448780339 0.55390454507040 0.75000000000000 15.999 *11 O 0.25816871067904 0.46189609612682 0.03641053941737 15.999 12 O 0.25816871067904 0.46189609612682 0.46358946058263 15.999 13 O 0.02695005726702 0.47304551219661 0.75000000000000 15.999 14 O 0.53810390387318 0.79627261455222 0.46358946058263 15.999 15 O 0.53810390387318 0.79627261455222 0.03641053941737 15.999 16 O 0.78481396681184 0.97729188066218 0.25000000000000 15.999 17 O 0.20372738544777 0.74183128932096 0.03641053941737 15.999 18 O 0.20372738544777 0.74183128932096 0.46358946058263 15.999 19 O 0.97729188066218 0.19247791385034 0.75000000000000 15.999 20 O 0.55390454507040 0.02695005726702 0.25000000000000 15.999 21 O 0.44609545492960 0.97304994273298 0.75000000000000 15.999 22 O 0.02270811933782 0.80752208614966 0.25000000000000 15.999 23 O 0.79627261455222 0.25816871067904 0.53641053941737 15.999 24 O 0.79627261455222 0.25816871067904 0.96358946058263 15.999 25 O 0.21518603318816 0.02270811933782 0.75000000000000 15.999 26 O 0.46189609612682 0.20372738544777 0.96358946058263 15.999 27 O 0.46189609612682 0.20372738544777 0.53641053941737 15.999 28 O 0.97304994273298 0.52695448780339 0.25000000000000 15.999 29 O 0.74183128932096 0.53810390387318 0.96358946058263 15.999 30 O 0.74183128932096 0.53810390387318 0.53641053941737 15.999 31 O 0.47304551219661 0.44609545492960 0.25000000000000 15.999 32 O 0.80752208614966 0.78481396681184 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.233759013378929 0.000000000000000 0.000000000000000 b -4.616879506689465 7.996669878009686 0.000000000000000 c 0.000000000000000 0.000000000000000 5.500326090000000 Atomic positions (fractional): *1 Tm 0.33333333333333 0.66666666666667 0.75000000000000 168.934 > 1 2 Tm 0.66666666666667 0.33333333333333 0.25000000000000 168.934 > 2 *3 Cl 0.29534001005070 0.39065861698394 0.25000000000000 35.453 > 3 4 Cl 0.60934138301606 0.90468139306676 0.25000000000000 35.453 > 4 5 Cl 0.09531860693324 0.70465998994930 0.25000000000000 35.453 > 5 6 Cl 0.90468139306676 0.29534001005070 0.75000000000000 35.453 > 6 7 Cl 0.39065861698394 0.09531860693324 0.75000000000000 35.453 > 7 8 Cl 0.70465998994930 0.60934138301606 0.75000000000000 35.453 > 8 *9 O 0.19247791385034 0.21518603318816 0.25000000000000 15.999 > 9 *10 O 0.52695448780339 0.55390454507040 0.75000000000000 15.999 > 10 *11 O 0.25816871067904 0.46189609612682 0.03641053941737 15.999 > 11 12 O 0.25816871067904 0.46189609612682 0.46358946058263 15.999 > 12 13 O 0.02695005726702 0.47304551219661 0.75000000000000 15.999 > 13 14 O 0.53810390387318 0.79627261455222 0.46358946058263 15.999 > 14 15 O 0.53810390387318 0.79627261455222 0.03641053941737 15.999 > 15 16 O 0.78481396681184 0.97729188066218 0.25000000000000 15.999 > 16 17 O 0.20372738544777 0.74183128932096 0.03641053941737 15.999 > 17 18 O 0.20372738544777 0.74183128932096 0.46358946058263 15.999 > 18 19 O 0.97729188066218 0.19247791385034 0.75000000000000 15.999 > 19 20 O 0.55390454507040 0.02695005726702 0.25000000000000 15.999 > 20 21 O 0.44609545492960 0.97304994273298 0.75000000000000 15.999 > 21 22 O 0.02270811933782 0.80752208614966 0.25000000000000 15.999 > 22 23 O 0.79627261455222 0.25816871067904 0.53641053941737 15.999 > 23 24 O 0.79627261455222 0.25816871067904 0.96358946058263 15.999 > 24 25 O 0.21518603318816 0.02270811933782 0.75000000000000 15.999 > 25 26 O 0.46189609612682 0.20372738544777 0.96358946058263 15.999 > 26 27 O 0.46189609612682 0.20372738544777 0.53641053941737 15.999 > 27 28 O 0.97304994273298 0.52695448780339 0.25000000000000 15.999 > 28 29 O 0.74183128932096 0.53810390387318 0.96358946058263 15.999 > 29 30 O 0.74183128932096 0.53810390387318 0.53641053941737 15.999 > 30 31 O 0.47304551219661 0.44609545492960 0.25000000000000 15.999 > 31 32 O 0.80752208614966 0.78481396681184 0.75000000000000 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.233759013378929 0.000000000000000 0.000000000000000 b -4.616879506689465 7.996669878009686 0.000000000000000 c 0.000000000000000 0.000000000000000 11.000652179999999 Atomic positions (fractional): *1 Tm 0.33333333333333 0.66666666666667 0.37500000000000 168.934 > 1 2 Tm 0.33333333333333 0.66666666666667 0.87500000000000 168.934 > 1 3 Tm 0.66666666666667 0.33333333333333 0.12500000000000 168.934 > 2 4 Tm 0.66666666666667 0.33333333333333 0.62500000000000 168.934 > 2 *5 Cl 0.29534001005070 0.39065861698394 0.12500000000000 35.453 > 3 6 Cl 0.29534001005070 0.39065861698394 0.62500000000000 35.453 > 3 7 Cl 0.60934138301606 0.90468139306676 0.12500000000000 35.453 > 4 8 Cl 0.60934138301606 0.90468139306676 0.62500000000000 35.453 > 4 9 Cl 0.09531860693324 0.70465998994930 0.12500000000000 35.453 > 5 10 Cl 0.09531860693324 0.70465998994930 0.62500000000000 35.453 > 5 11 Cl 0.90468139306676 0.29534001005070 0.37500000000000 35.453 > 6 12 Cl 0.90468139306676 0.29534001005070 0.87500000000000 35.453 > 6 13 Cl 0.39065861698394 0.09531860693324 0.37500000000000 35.453 > 7 14 Cl 0.39065861698394 0.09531860693324 0.87500000000000 35.453 > 7 15 Cl 0.70465998994930 0.60934138301606 0.37500000000000 35.453 > 8 16 Cl 0.70465998994930 0.60934138301606 0.87500000000000 35.453 > 8 *17 O 0.19247791385034 0.21518603318816 0.12500000000000 15.999 > 9 18 O 0.19247791385034 0.21518603318816 0.62500000000000 15.999 > 9 *19 O 0.52695448780339 0.55390454507040 0.37500000000000 15.999 > 10 20 O 0.52695448780339 0.55390454507040 0.87500000000000 15.999 > 10 *21 O 0.25816871067904 0.46189609612682 0.01820526970868 15.999 > 11 22 O 0.25816871067904 0.46189609612682 0.51820526970868 15.999 > 11 23 O 0.25816871067904 0.46189609612682 0.23179473029132 15.999 > 12 24 O 0.25816871067904 0.46189609612682 0.73179473029132 15.999 > 12 25 O 0.02695005726702 0.47304551219661 0.37500000000000 15.999 > 13 26 O 0.02695005726702 0.47304551219661 0.87500000000000 15.999 > 13 27 O 0.53810390387318 0.79627261455222 0.23179473029132 15.999 > 14 28 O 0.53810390387318 0.79627261455222 0.73179473029132 15.999 > 14 29 O 0.53810390387318 0.79627261455222 0.01820526970868 15.999 > 15 30 O 0.53810390387318 0.79627261455222 0.51820526970868 15.999 > 15 31 O 0.78481396681184 0.97729188066218 0.12500000000000 15.999 > 16 32 O 0.78481396681184 0.97729188066218 0.62500000000000 15.999 > 16 33 O 0.20372738544777 0.74183128932096 0.01820526970868 15.999 > 17 34 O 0.20372738544777 0.74183128932096 0.51820526970868 15.999 > 17 35 O 0.20372738544777 0.74183128932096 0.23179473029132 15.999 > 18 36 O 0.20372738544777 0.74183128932096 0.73179473029132 15.999 > 18 37 O 0.97729188066218 0.19247791385034 0.37500000000000 15.999 > 19 38 O 0.97729188066218 0.19247791385034 0.87500000000000 15.999 > 19 39 O 0.55390454507040 0.02695005726702 0.12500000000000 15.999 > 20 40 O 0.55390454507040 0.02695005726702 0.62500000000000 15.999 > 20 41 O 0.44609545492960 0.97304994273298 0.37500000000000 15.999 > 21 42 O 0.44609545492960 0.97304994273298 0.87500000000000 15.999 > 21 43 O 0.02270811933782 0.80752208614966 0.12500000000000 15.999 > 22 44 O 0.02270811933782 0.80752208614966 0.62500000000000 15.999 > 22 45 O 0.79627261455222 0.25816871067904 0.26820526970868 15.999 > 23 46 O 0.79627261455222 0.25816871067904 0.76820526970868 15.999 > 23 47 O 0.79627261455222 0.25816871067904 0.48179473029132 15.999 > 24 48 O 0.79627261455222 0.25816871067904 0.98179473029132 15.999 > 24 49 O 0.21518603318816 0.02270811933782 0.37500000000000 15.999 > 25 50 O 0.21518603318816 0.02270811933782 0.87500000000000 15.999 > 25 51 O 0.46189609612682 0.20372738544777 0.48179473029132 15.999 > 26 52 O 0.46189609612682 0.20372738544777 0.98179473029132 15.999 > 26 53 O 0.46189609612682 0.20372738544777 0.26820526970868 15.999 > 27 54 O 0.46189609612682 0.20372738544777 0.76820526970868 15.999 > 27 55 O 0.97304994273298 0.52695448780339 0.12500000000000 15.999 > 28 56 O 0.97304994273298 0.52695448780339 0.62500000000000 15.999 > 28 57 O 0.74183128932096 0.53810390387318 0.48179473029132 15.999 > 29 58 O 0.74183128932096 0.53810390387318 0.98179473029132 15.999 > 29 59 O 0.74183128932096 0.53810390387318 0.26820526970868 15.999 > 30 60 O 0.74183128932096 0.53810390387318 0.76820526970868 15.999 > 30 61 O 0.47304551219661 0.44609545492960 0.12500000000000 15.999 > 31 62 O 0.47304551219661 0.44609545492960 0.62500000000000 15.999 > 31 63 O 0.80752208614966 0.78481396681184 0.37500000000000 15.999 > 32 64 O 0.80752208614966 0.78481396681184 0.87500000000000 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6719223 -0.0000026 0.0000000 0.0000026 2.6719223 0.0000000 0.0000000 0.0000000 2.8732120 -------------------------- Born effective charges -------------------------- 1 Tm 4.1318869 -0.6351626 0.0000000 0.6351626 4.1318870 0.0000000 0.0000000 0.0000000 5.4310992 2 Tm 4.1318869 -0.6351626 0.0000000 0.6351626 4.1318870 0.0000000 0.0000000 0.0000000 5.4310992 3 Cl 3.8154344 -0.0951143 0.0000000 -0.9421524 2.9873551 0.0000000 0.0000000 0.0000000 3.9561124 4 Cl 2.7452253 0.3242669 0.0000000 -0.5227712 4.0575642 0.0000000 0.0000000 0.0000000 3.9561124 5 Cl 3.6435246 1.0414046 0.0000000 0.1943664 3.1592649 0.0000000 0.0000000 0.0000000 3.9561124 6 Cl 3.6435246 1.0414046 0.0000000 0.1943664 3.1592649 0.0000000 0.0000000 0.0000000 3.9561124 7 Cl 2.7452253 0.3242669 0.0000000 -0.5227712 4.0575642 0.0000000 0.0000000 0.0000000 3.9561124 8 Cl 3.8154344 -0.0951143 0.0000000 -0.9421524 2.9873551 0.0000000 0.0000000 0.0000000 3.9561124 9 O -0.6431995 0.0075156 0.0000000 0.0585106 -1.2135224 0.0000000 0.0000000 0.0000000 -0.6304621 10 O -2.4291338 -0.1450076 0.0000000 0.2609690 -0.7365033 0.0000000 0.0000000 0.0000000 -0.7489274 11 O -1.0886488 0.4268053 -0.6214080 0.4101177 -1.1788621 0.7780815 -0.6520476 0.9034137 -2.1935446 12 O -1.0886488 0.4268053 0.6214080 0.4101177 -1.1788621 -0.7780815 0.6520476 -0.9034137 -2.1935446 13 O -1.2098737 -0.9649092 0.0000000 -0.5589326 -1.9557635 0.0000000 0.0000000 0.0000000 -0.7489274 14 O -0.7939105 -0.2399505 0.3631343 -0.2566381 -1.4736004 0.9271958 0.4563554 1.0163967 -2.1935446 15 O -0.7939105 -0.2399505 -0.3631343 -0.2566381 -1.4736004 -0.9271958 -0.4563554 -1.0163967 -2.1935446 16 O -1.0423515 -0.2889611 0.0000000 -0.2379661 -0.8143704 0.0000000 0.0000000 0.0000000 -0.6304621 17 O -1.5187071 -0.1618234 0.9845423 -0.1785110 -0.7488038 0.1491143 1.1084030 0.1129830 -2.1935446 18 O -1.5187071 -0.1618234 -0.9845423 -0.1785110 -0.7488038 -0.1491143 -1.1084030 -0.1129830 -2.1935446 19 O -1.0995319 0.2049530 0.0000000 0.2559480 -0.7571901 0.0000000 0.0000000 0.0000000 -0.6304621 20 O -1.1094482 0.5009519 0.0000000 0.9069285 -2.0561889 0.0000000 0.0000000 0.0000000 -0.7489274 21 O -1.1094482 0.5009519 0.0000000 0.9069285 -2.0561889 0.0000000 0.0000000 0.0000000 -0.7489274 22 O -1.0995319 0.2049530 0.0000000 0.2559480 -0.7571901 0.0000000 0.0000000 0.0000000 -0.6304621 23 O -1.5187071 -0.1618234 -0.9845423 -0.1785110 -0.7488038 -0.1491143 -1.1084030 -0.1129830 -2.1935446 24 O -1.5187071 -0.1618234 0.9845423 -0.1785110 -0.7488038 0.1491143 1.1084030 0.1129830 -2.1935446 25 O -1.0423515 -0.2889611 0.0000000 -0.2379661 -0.8143704 0.0000000 0.0000000 0.0000000 -0.6304621 26 O -0.7939105 -0.2399505 -0.3631343 -0.2566381 -1.4736004 -0.9271958 -0.4563554 -1.0163967 -2.1935446 27 O -0.7939105 -0.2399505 0.3631343 -0.2566381 -1.4736004 0.9271958 0.4563554 1.0163967 -2.1935446 28 O -1.2098737 -0.9649092 0.0000000 -0.5589326 -1.9557635 0.0000000 0.0000000 0.0000000 -0.7489274 29 O -1.0886488 0.4268053 -0.6214080 0.4101177 -1.1788621 0.7780815 -0.6520476 0.9034137 -2.1935446 30 O -1.0886488 0.4268053 0.6214080 0.4101177 -1.1788621 -0.7780815 0.6520476 -0.9034137 -2.1935446 31 O -2.4291338 -0.1450076 0.0000000 0.2609690 -0.7365033 0.0000000 0.0000000 0.0000000 -0.7489274 32 O -0.6431995 0.0075156 0.0000000 0.0585106 -1.2135224 0.0000000 0.0000000 0.0000000 -0.6304621 ---------------------------------------------------------------------------- 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: 192/192 Permutation basis: 9312/9312 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 810 Number of blocks in projector: 364 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 112 Use standard eigh solver. Tree of FC basis block matrices: - (810, 784), data: False |-- (112, 107), data: True |-- (274, 270), data: True |-- (424, 407), data: True ----- Solver_atoms: 1 -- 64 / 64 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 0.451 Solver_block: 200 / 320 - Time: 0.450 Solver_block: 300 / 320 - Time: 0.451 Solver_block: 320 / 320 - Time: 0.116 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.483 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 192/192 Permutation basis: 9312/9312 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 810 Number of blocks in projector: 364 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 112 Use standard eigh solver. Tree of FC basis block matrices: - (810, 784), data: False |-- (112, 107), data: True |-- (274, 270), data: True |-- (424, 407), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:27:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:27:44]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.233759013378929 0.000000000000000 0.000000000000000 b -4.616879506689465 7.996669878009686 0.000000000000000 c 0.000000000000000 0.000000000000000 5.500326090000000 Atomic positions (fractional): 1 Tm 0.33333333333333 0.66666666666667 0.75000000000000 168.934 2 Tm 0.66666666666667 0.33333333333333 0.25000000000000 168.934 3 Cl 0.29534001005070 0.39065861698394 0.25000000000000 35.453 4 Cl 0.60934138301606 0.90468139306676 0.25000000000000 35.453 5 Cl 0.09531860693324 0.70465998994930 0.25000000000000 35.453 6 Cl 0.90468139306676 0.29534001005070 0.75000000000000 35.453 7 Cl 0.39065861698394 0.09531860693324 0.75000000000000 35.453 8 Cl 0.70465998994930 0.60934138301606 0.75000000000000 35.453 9 O 0.19247791385034 0.21518603318816 0.25000000000000 15.999 10 O 0.52695448780339 0.55390454507040 0.75000000000000 15.999 11 O 0.25816871067904 0.46189609612682 0.03641053941737 15.999 12 O 0.25816871067904 0.46189609612682 0.46358946058263 15.999 13 O 0.02695005726702 0.47304551219661 0.75000000000000 15.999 14 O 0.53810390387318 0.79627261455222 0.46358946058263 15.999 15 O 0.53810390387318 0.79627261455222 0.03641053941737 15.999 16 O 0.78481396681184 0.97729188066218 0.25000000000000 15.999 17 O 0.20372738544777 0.74183128932096 0.03641053941737 15.999 18 O 0.20372738544777 0.74183128932096 0.46358946058263 15.999 19 O 0.97729188066218 0.19247791385034 0.75000000000000 15.999 20 O 0.55390454507040 0.02695005726702 0.25000000000000 15.999 21 O 0.44609545492960 0.97304994273298 0.75000000000000 15.999 22 O 0.02270811933782 0.80752208614966 0.25000000000000 15.999 23 O 0.79627261455222 0.25816871067904 0.53641053941737 15.999 24 O 0.79627261455222 0.25816871067904 0.96358946058263 15.999 25 O 0.21518603318816 0.02270811933782 0.75000000000000 15.999 26 O 0.46189609612682 0.20372738544777 0.96358946058263 15.999 27 O 0.46189609612682 0.20372738544777 0.53641053941737 15.999 28 O 0.97304994273298 0.52695448780339 0.25000000000000 15.999 29 O 0.74183128932096 0.53810390387318 0.96358946058263 15.999 30 O 0.74183128932096 0.53810390387318 0.53641053941737 15.999 31 O 0.47304551219661 0.44609545492960 0.25000000000000 15.999 32 O 0.80752208614966 0.78481396681184 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.233759013378929 0.000000000000000 0.000000000000000 b -4.616879506689465 7.996669878009686 0.000000000000000 c 0.000000000000000 0.000000000000000 11.000652179999999 Atomic positions (fractional): 1 Tm 0.33333333333333 0.66666666666667 0.37500000000000 168.934 > 1 2 Tm 0.33333333333333 0.66666666666667 0.87500000000000 168.934 > 1 3 Tm 0.66666666666667 0.33333333333333 0.12500000000000 168.934 > 3 4 Tm 0.66666666666667 0.33333333333333 0.62500000000000 168.934 > 3 5 Cl 0.29534001005070 0.39065861698394 0.12500000000000 35.453 > 5 6 Cl 0.29534001005070 0.39065861698394 0.62500000000000 35.453 > 5 7 Cl 0.60934138301606 0.90468139306676 0.12500000000000 35.453 > 7 8 Cl 0.60934138301606 0.90468139306676 0.62500000000000 35.453 > 7 9 Cl 0.09531860693324 0.70465998994930 0.12500000000000 35.453 > 9 10 Cl 0.09531860693324 0.70465998994930 0.62500000000000 35.453 > 9 11 Cl 0.90468139306676 0.29534001005070 0.37500000000000 35.453 > 11 12 Cl 0.90468139306676 0.29534001005070 0.87500000000000 35.453 > 11 13 Cl 0.39065861698394 0.09531860693324 0.37500000000000 35.453 > 13 14 Cl 0.39065861698394 0.09531860693324 0.87500000000000 35.453 > 13 15 Cl 0.70465998994930 0.60934138301606 0.37500000000000 35.453 > 15 16 Cl 0.70465998994930 0.60934138301606 0.87500000000000 35.453 > 15 17 O 0.19247791385034 0.21518603318816 0.12500000000000 15.999 > 17 18 O 0.19247791385034 0.21518603318816 0.62500000000000 15.999 > 17 19 O 0.52695448780339 0.55390454507040 0.37500000000000 15.999 > 19 20 O 0.52695448780339 0.55390454507040 0.87500000000000 15.999 > 19 21 O 0.25816871067904 0.46189609612682 0.01820526970868 15.999 > 21 22 O 0.25816871067904 0.46189609612682 0.51820526970868 15.999 > 21 23 O 0.25816871067904 0.46189609612682 0.23179473029132 15.999 > 23 24 O 0.25816871067904 0.46189609612682 0.73179473029132 15.999 > 23 25 O 0.02695005726702 0.47304551219661 0.37500000000000 15.999 > 25 26 O 0.02695005726702 0.47304551219661 0.87500000000000 15.999 > 25 27 O 0.53810390387318 0.79627261455222 0.23179473029132 15.999 > 27 28 O 0.53810390387318 0.79627261455222 0.73179473029132 15.999 > 27 29 O 0.53810390387318 0.79627261455222 0.01820526970868 15.999 > 29 30 O 0.53810390387318 0.79627261455222 0.51820526970868 15.999 > 29 31 O 0.78481396681184 0.97729188066218 0.12500000000000 15.999 > 31 32 O 0.78481396681184 0.97729188066218 0.62500000000000 15.999 > 31 33 O 0.20372738544777 0.74183128932096 0.01820526970868 15.999 > 33 34 O 0.20372738544777 0.74183128932096 0.51820526970868 15.999 > 33 35 O 0.20372738544777 0.74183128932096 0.23179473029132 15.999 > 35 36 O 0.20372738544777 0.74183128932096 0.73179473029132 15.999 > 35 37 O 0.97729188066218 0.19247791385034 0.37500000000000 15.999 > 37 38 O 0.97729188066218 0.19247791385034 0.87500000000000 15.999 > 37 39 O 0.55390454507040 0.02695005726702 0.12500000000000 15.999 > 39 40 O 0.55390454507040 0.02695005726702 0.62500000000000 15.999 > 39 41 O 0.44609545492960 0.97304994273298 0.37500000000000 15.999 > 41 42 O 0.44609545492960 0.97304994273298 0.87500000000000 15.999 > 41 43 O 0.02270811933782 0.80752208614966 0.12500000000000 15.999 > 43 44 O 0.02270811933782 0.80752208614966 0.62500000000000 15.999 > 43 45 O 0.79627261455222 0.25816871067904 0.26820526970868 15.999 > 45 46 O 0.79627261455222 0.25816871067904 0.76820526970868 15.999 > 45 47 O 0.79627261455222 0.25816871067904 0.48179473029132 15.999 > 47 48 O 0.79627261455222 0.25816871067904 0.98179473029132 15.999 > 47 49 O 0.21518603318816 0.02270811933782 0.37500000000000 15.999 > 49 50 O 0.21518603318816 0.02270811933782 0.87500000000000 15.999 > 49 51 O 0.46189609612682 0.20372738544777 0.48179473029132 15.999 > 51 52 O 0.46189609612682 0.20372738544777 0.98179473029132 15.999 > 51 53 O 0.46189609612682 0.20372738544777 0.26820526970868 15.999 > 53 54 O 0.46189609612682 0.20372738544777 0.76820526970868 15.999 > 53 55 O 0.97304994273298 0.52695448780339 0.12500000000000 15.999 > 55 56 O 0.97304994273298 0.52695448780339 0.62500000000000 15.999 > 55 57 O 0.74183128932096 0.53810390387318 0.48179473029132 15.999 > 57 58 O 0.74183128932096 0.53810390387318 0.98179473029132 15.999 > 57 59 O 0.74183128932096 0.53810390387318 0.26820526970868 15.999 > 59 60 O 0.74183128932096 0.53810390387318 0.76820526970868 15.999 > 59 61 O 0.47304551219661 0.44609545492960 0.12500000000000 15.999 > 61 62 O 0.47304551219661 0.44609545492960 0.62500000000000 15.999 > 61 63 O 0.80752208614966 0.78481396681184 0.37500000000000 15.999 > 63 64 O 0.80752208614966 0.78481396681184 0.87500000000000 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6719223 -0.0000026 0.0000000 0.0000026 2.6719223 0.0000000 0.0000000 0.0000000 2.8732120 -------------------------- Born effective charges -------------------------- 1 Tm 4.1318869 -0.6351626 0.0000000 0.6351626 4.1318870 0.0000000 0.0000000 0.0000000 5.4310992 2 Tm 4.1318869 -0.6351626 0.0000000 0.6351626 4.1318870 0.0000000 0.0000000 0.0000000 5.4310992 3 Cl 3.8154344 -0.0951143 0.0000000 -0.9421524 2.9873551 0.0000000 0.0000000 0.0000000 3.9561124 4 Cl 2.7452253 0.3242669 0.0000000 -0.5227712 4.0575642 0.0000000 0.0000000 0.0000000 3.9561124 5 Cl 3.6435246 1.0414046 0.0000000 0.1943664 3.1592649 0.0000000 0.0000000 0.0000000 3.9561124 6 Cl 3.6435246 1.0414046 0.0000000 0.1943664 3.1592649 0.0000000 0.0000000 0.0000000 3.9561124 7 Cl 2.7452253 0.3242669 0.0000000 -0.5227712 4.0575642 0.0000000 0.0000000 0.0000000 3.9561124 8 Cl 3.8154344 -0.0951143 0.0000000 -0.9421524 2.9873551 0.0000000 0.0000000 0.0000000 3.9561124 9 O -0.6431995 0.0075156 0.0000000 0.0585106 -1.2135224 0.0000000 0.0000000 0.0000000 -0.6304621 10 O -2.4291338 -0.1450076 0.0000000 0.2609690 -0.7365033 0.0000000 0.0000000 0.0000000 -0.7489274 11 O -1.0886488 0.4268053 -0.6214080 0.4101177 -1.1788621 0.7780815 -0.6520476 0.9034137 -2.1935446 12 O -1.0886488 0.4268053 0.6214080 0.4101177 -1.1788621 -0.7780815 0.6520476 -0.9034137 -2.1935446 13 O -1.2098737 -0.9649092 0.0000000 -0.5589326 -1.9557635 0.0000000 0.0000000 0.0000000 -0.7489274 14 O -0.7939105 -0.2399505 0.3631343 -0.2566381 -1.4736004 0.9271958 0.4563554 1.0163967 -2.1935446 15 O -0.7939105 -0.2399505 -0.3631343 -0.2566381 -1.4736004 -0.9271958 -0.4563554 -1.0163967 -2.1935446 16 O -1.0423515 -0.2889611 0.0000000 -0.2379661 -0.8143704 0.0000000 0.0000000 0.0000000 -0.6304621 17 O -1.5187071 -0.1618234 0.9845423 -0.1785110 -0.7488038 0.1491143 1.1084030 0.1129830 -2.1935446 18 O -1.5187071 -0.1618234 -0.9845423 -0.1785110 -0.7488038 -0.1491143 -1.1084030 -0.1129830 -2.1935446 19 O -1.0995319 0.2049530 0.0000000 0.2559480 -0.7571901 0.0000000 0.0000000 0.0000000 -0.6304621 20 O -1.1094482 0.5009519 0.0000000 0.9069285 -2.0561889 0.0000000 0.0000000 0.0000000 -0.7489274 21 O -1.1094482 0.5009519 0.0000000 0.9069285 -2.0561889 0.0000000 0.0000000 0.0000000 -0.7489274 22 O -1.0995319 0.2049530 0.0000000 0.2559480 -0.7571901 0.0000000 0.0000000 0.0000000 -0.6304621 23 O -1.5187071 -0.1618234 -0.9845423 -0.1785110 -0.7488038 -0.1491143 -1.1084030 -0.1129830 -2.1935446 24 O -1.5187071 -0.1618234 0.9845423 -0.1785110 -0.7488038 0.1491143 1.1084030 0.1129830 -2.1935446 25 O -1.0423515 -0.2889611 0.0000000 -0.2379661 -0.8143704 0.0000000 0.0000000 0.0000000 -0.6304621 26 O -0.7939105 -0.2399505 -0.3631343 -0.2566381 -1.4736004 -0.9271958 -0.4563554 -1.0163967 -2.1935446 27 O -0.7939105 -0.2399505 0.3631343 -0.2566381 -1.4736004 0.9271958 0.4563554 1.0163967 -2.1935446 28 O -1.2098737 -0.9649092 0.0000000 -0.5589326 -1.9557635 0.0000000 0.0000000 0.0000000 -0.7489274 29 O -1.0886488 0.4268053 -0.6214080 0.4101177 -1.1788621 0.7780815 -0.6520476 0.9034137 -2.1935446 30 O -1.0886488 0.4268053 0.6214080 0.4101177 -1.1788621 -0.7780815 0.6520476 -0.9034137 -2.1935446 31 O -2.4291338 -0.1450076 0.0000000 0.2609690 -0.7365033 0.0000000 0.0000000 0.0000000 -0.7489274 32 O -0.6431995 0.0075156 0.0000000 0.0585106 -1.2135224 0.0000000 0.0000000 0.0000000 -0.6304621 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: 0.00000007 (xyx) 0.00000007 (xyx) 0.00000007 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000006 (yx) 0.00000006 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:27:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:27:53]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.233759013378929 0.000000000000000 0.000000000000000 b -4.616879506689465 7.996669878009686 0.000000000000000 c 0.000000000000000 0.000000000000000 5.500326090000000 Atomic positions (fractional): 1 Tm 0.33333333333333 0.66666666666667 0.75000000000000 168.934 2 Tm 0.66666666666667 0.33333333333333 0.25000000000000 168.934 3 Cl 0.29534001005070 0.39065861698394 0.25000000000000 35.453 4 Cl 0.60934138301606 0.90468139306676 0.25000000000000 35.453 5 Cl 0.09531860693324 0.70465998994930 0.25000000000000 35.453 6 Cl 0.90468139306676 0.29534001005070 0.75000000000000 35.453 7 Cl 0.39065861698394 0.09531860693324 0.75000000000000 35.453 8 Cl 0.70465998994930 0.60934138301606 0.75000000000000 35.453 9 O 0.19247791385034 0.21518603318816 0.25000000000000 15.999 10 O 0.52695448780339 0.55390454507040 0.75000000000000 15.999 11 O 0.25816871067904 0.46189609612682 0.03641053941737 15.999 12 O 0.25816871067904 0.46189609612682 0.46358946058263 15.999 13 O 0.02695005726702 0.47304551219661 0.75000000000000 15.999 14 O 0.53810390387318 0.79627261455222 0.46358946058263 15.999 15 O 0.53810390387318 0.79627261455222 0.03641053941737 15.999 16 O 0.78481396681184 0.97729188066218 0.25000000000000 15.999 17 O 0.20372738544777 0.74183128932096 0.03641053941737 15.999 18 O 0.20372738544777 0.74183128932096 0.46358946058263 15.999 19 O 0.97729188066218 0.19247791385034 0.75000000000000 15.999 20 O 0.55390454507040 0.02695005726702 0.25000000000000 15.999 21 O 0.44609545492960 0.97304994273298 0.75000000000000 15.999 22 O 0.02270811933782 0.80752208614966 0.25000000000000 15.999 23 O 0.79627261455222 0.25816871067904 0.53641053941737 15.999 24 O 0.79627261455222 0.25816871067904 0.96358946058263 15.999 25 O 0.21518603318816 0.02270811933782 0.75000000000000 15.999 26 O 0.46189609612682 0.20372738544777 0.96358946058263 15.999 27 O 0.46189609612682 0.20372738544777 0.53641053941737 15.999 28 O 0.97304994273298 0.52695448780339 0.25000000000000 15.999 29 O 0.74183128932096 0.53810390387318 0.96358946058263 15.999 30 O 0.74183128932096 0.53810390387318 0.53641053941737 15.999 31 O 0.47304551219661 0.44609545492960 0.25000000000000 15.999 32 O 0.80752208614966 0.78481396681184 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.233759013378929 0.000000000000000 0.000000000000000 b -4.616879506689465 7.996669878009686 0.000000000000000 c 0.000000000000000 0.000000000000000 11.000652179999999 Atomic positions (fractional): 1 Tm 0.33333333333333 0.66666666666667 0.37500000000000 168.934 > 1 2 Tm 0.33333333333333 0.66666666666667 0.87500000000000 168.934 > 1 3 Tm 0.66666666666667 0.33333333333333 0.12500000000000 168.934 > 3 4 Tm 0.66666666666667 0.33333333333333 0.62500000000000 168.934 > 3 5 Cl 0.29534001005070 0.39065861698394 0.12500000000000 35.453 > 5 6 Cl 0.29534001005070 0.39065861698394 0.62500000000000 35.453 > 5 7 Cl 0.60934138301606 0.90468139306676 0.12500000000000 35.453 > 7 8 Cl 0.60934138301606 0.90468139306676 0.62500000000000 35.453 > 7 9 Cl 0.09531860693324 0.70465998994930 0.12500000000000 35.453 > 9 10 Cl 0.09531860693324 0.70465998994930 0.62500000000000 35.453 > 9 11 Cl 0.90468139306676 0.29534001005070 0.37500000000000 35.453 > 11 12 Cl 0.90468139306676 0.29534001005070 0.87500000000000 35.453 > 11 13 Cl 0.39065861698394 0.09531860693324 0.37500000000000 35.453 > 13 14 Cl 0.39065861698394 0.09531860693324 0.87500000000000 35.453 > 13 15 Cl 0.70465998994930 0.60934138301606 0.37500000000000 35.453 > 15 16 Cl 0.70465998994930 0.60934138301606 0.87500000000000 35.453 > 15 17 O 0.19247791385034 0.21518603318816 0.12500000000000 15.999 > 17 18 O 0.19247791385034 0.21518603318816 0.62500000000000 15.999 > 17 19 O 0.52695448780339 0.55390454507040 0.37500000000000 15.999 > 19 20 O 0.52695448780339 0.55390454507040 0.87500000000000 15.999 > 19 21 O 0.25816871067904 0.46189609612682 0.01820526970868 15.999 > 21 22 O 0.25816871067904 0.46189609612682 0.51820526970868 15.999 > 21 23 O 0.25816871067904 0.46189609612682 0.23179473029132 15.999 > 23 24 O 0.25816871067904 0.46189609612682 0.73179473029132 15.999 > 23 25 O 0.02695005726702 0.47304551219661 0.37500000000000 15.999 > 25 26 O 0.02695005726702 0.47304551219661 0.87500000000000 15.999 > 25 27 O 0.53810390387318 0.79627261455222 0.23179473029132 15.999 > 27 28 O 0.53810390387318 0.79627261455222 0.73179473029132 15.999 > 27 29 O 0.53810390387318 0.79627261455222 0.01820526970868 15.999 > 29 30 O 0.53810390387318 0.79627261455222 0.51820526970868 15.999 > 29 31 O 0.78481396681184 0.97729188066218 0.12500000000000 15.999 > 31 32 O 0.78481396681184 0.97729188066218 0.62500000000000 15.999 > 31 33 O 0.20372738544777 0.74183128932096 0.01820526970868 15.999 > 33 34 O 0.20372738544777 0.74183128932096 0.51820526970868 15.999 > 33 35 O 0.20372738544777 0.74183128932096 0.23179473029132 15.999 > 35 36 O 0.20372738544777 0.74183128932096 0.73179473029132 15.999 > 35 37 O 0.97729188066218 0.19247791385034 0.37500000000000 15.999 > 37 38 O 0.97729188066218 0.19247791385034 0.87500000000000 15.999 > 37 39 O 0.55390454507040 0.02695005726702 0.12500000000000 15.999 > 39 40 O 0.55390454507040 0.02695005726702 0.62500000000000 15.999 > 39 41 O 0.44609545492960 0.97304994273298 0.37500000000000 15.999 > 41 42 O 0.44609545492960 0.97304994273298 0.87500000000000 15.999 > 41 43 O 0.02270811933782 0.80752208614966 0.12500000000000 15.999 > 43 44 O 0.02270811933782 0.80752208614966 0.62500000000000 15.999 > 43 45 O 0.79627261455222 0.25816871067904 0.26820526970868 15.999 > 45 46 O 0.79627261455222 0.25816871067904 0.76820526970868 15.999 > 45 47 O 0.79627261455222 0.25816871067904 0.48179473029132 15.999 > 47 48 O 0.79627261455222 0.25816871067904 0.98179473029132 15.999 > 47 49 O 0.21518603318816 0.02270811933782 0.37500000000000 15.999 > 49 50 O 0.21518603318816 0.02270811933782 0.87500000000000 15.999 > 49 51 O 0.46189609612682 0.20372738544777 0.48179473029132 15.999 > 51 52 O 0.46189609612682 0.20372738544777 0.98179473029132 15.999 > 51 53 O 0.46189609612682 0.20372738544777 0.26820526970868 15.999 > 53 54 O 0.46189609612682 0.20372738544777 0.76820526970868 15.999 > 53 55 O 0.97304994273298 0.52695448780339 0.12500000000000 15.999 > 55 56 O 0.97304994273298 0.52695448780339 0.62500000000000 15.999 > 55 57 O 0.74183128932096 0.53810390387318 0.48179473029132 15.999 > 57 58 O 0.74183128932096 0.53810390387318 0.98179473029132 15.999 > 57 59 O 0.74183128932096 0.53810390387318 0.26820526970868 15.999 > 59 60 O 0.74183128932096 0.53810390387318 0.76820526970868 15.999 > 59 61 O 0.47304551219661 0.44609545492960 0.12500000000000 15.999 > 61 62 O 0.47304551219661 0.44609545492960 0.62500000000000 15.999 > 61 63 O 0.80752208614966 0.78481396681184 0.37500000000000 15.999 > 63 64 O 0.80752208614966 0.78481396681184 0.87500000000000 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6719223 -0.0000026 0.0000000 0.0000026 2.6719223 0.0000000 0.0000000 0.0000000 2.8732120 -------------------------- Born effective charges -------------------------- 1 Tm 4.1318869 -0.6351626 0.0000000 0.6351626 4.1318870 0.0000000 0.0000000 0.0000000 5.4310992 2 Tm 4.1318869 -0.6351626 0.0000000 0.6351626 4.1318870 0.0000000 0.0000000 0.0000000 5.4310992 3 Cl 3.8154344 -0.0951143 0.0000000 -0.9421524 2.9873551 0.0000000 0.0000000 0.0000000 3.9561124 4 Cl 2.7452253 0.3242669 0.0000000 -0.5227712 4.0575642 0.0000000 0.0000000 0.0000000 3.9561124 5 Cl 3.6435246 1.0414046 0.0000000 0.1943664 3.1592649 0.0000000 0.0000000 0.0000000 3.9561124 6 Cl 3.6435246 1.0414046 0.0000000 0.1943664 3.1592649 0.0000000 0.0000000 0.0000000 3.9561124 7 Cl 2.7452253 0.3242669 0.0000000 -0.5227712 4.0575642 0.0000000 0.0000000 0.0000000 3.9561124 8 Cl 3.8154344 -0.0951143 0.0000000 -0.9421524 2.9873551 0.0000000 0.0000000 0.0000000 3.9561124 9 O -0.6431995 0.0075156 0.0000000 0.0585106 -1.2135224 0.0000000 0.0000000 0.0000000 -0.6304621 10 O -2.4291338 -0.1450076 0.0000000 0.2609690 -0.7365033 0.0000000 0.0000000 0.0000000 -0.7489274 11 O -1.0886488 0.4268053 -0.6214080 0.4101177 -1.1788621 0.7780815 -0.6520476 0.9034137 -2.1935446 12 O -1.0886488 0.4268053 0.6214080 0.4101177 -1.1788621 -0.7780815 0.6520476 -0.9034137 -2.1935446 13 O -1.2098737 -0.9649092 0.0000000 -0.5589326 -1.9557635 0.0000000 0.0000000 0.0000000 -0.7489274 14 O -0.7939105 -0.2399505 0.3631343 -0.2566381 -1.4736004 0.9271958 0.4563554 1.0163967 -2.1935446 15 O -0.7939105 -0.2399505 -0.3631343 -0.2566381 -1.4736004 -0.9271958 -0.4563554 -1.0163967 -2.1935446 16 O -1.0423515 -0.2889611 0.0000000 -0.2379661 -0.8143704 0.0000000 0.0000000 0.0000000 -0.6304621 17 O -1.5187071 -0.1618234 0.9845423 -0.1785110 -0.7488038 0.1491143 1.1084030 0.1129830 -2.1935446 18 O -1.5187071 -0.1618234 -0.9845423 -0.1785110 -0.7488038 -0.1491143 -1.1084030 -0.1129830 -2.1935446 19 O -1.0995319 0.2049530 0.0000000 0.2559480 -0.7571901 0.0000000 0.0000000 0.0000000 -0.6304621 20 O -1.1094482 0.5009519 0.0000000 0.9069285 -2.0561889 0.0000000 0.0000000 0.0000000 -0.7489274 21 O -1.1094482 0.5009519 0.0000000 0.9069285 -2.0561889 0.0000000 0.0000000 0.0000000 -0.7489274 22 O -1.0995319 0.2049530 0.0000000 0.2559480 -0.7571901 0.0000000 0.0000000 0.0000000 -0.6304621 23 O -1.5187071 -0.1618234 -0.9845423 -0.1785110 -0.7488038 -0.1491143 -1.1084030 -0.1129830 -2.1935446 24 O -1.5187071 -0.1618234 0.9845423 -0.1785110 -0.7488038 0.1491143 1.1084030 0.1129830 -2.1935446 25 O -1.0423515 -0.2889611 0.0000000 -0.2379661 -0.8143704 0.0000000 0.0000000 0.0000000 -0.6304621 26 O -0.7939105 -0.2399505 -0.3631343 -0.2566381 -1.4736004 -0.9271958 -0.4563554 -1.0163967 -2.1935446 27 O -0.7939105 -0.2399505 0.3631343 -0.2566381 -1.4736004 0.9271958 0.4563554 1.0163967 -2.1935446 28 O -1.2098737 -0.9649092 0.0000000 -0.5589326 -1.9557635 0.0000000 0.0000000 0.0000000 -0.7489274 29 O -1.0886488 0.4268053 -0.6214080 0.4101177 -1.1788621 0.7780815 -0.6520476 0.9034137 -2.1935446 30 O -1.0886488 0.4268053 0.6214080 0.4101177 -1.1788621 -0.7780815 0.6520476 -0.9034137 -2.1935446 31 O -2.4291338 -0.1450076 0.0000000 0.2609690 -0.7365033 0.0000000 0.0000000 0.0000000 -0.7489274 32 O -0.6431995 0.0075156 0.0000000 0.0585106 -1.2135224 0.0000000 0.0000000 0.0000000 -0.6304621 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (xyx) 0.00000007 (xyx) 0.00000007 (xxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 9 ] 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: 0.56, Number of G-points: 283, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 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 1.743 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 4.981 ( 0.000 0.000 0.000) 0.000 4.981 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.385 ( 0.000 0.000 0.000) 0.000 6.385 ( 0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 0.000) 0.000 12.878 ( 0.000 0.000 0.000) 0.000 12.985 ( 0.000 0.000 0.000) 0.000 12.985 ( 0.000 0.000 0.000) 0.000 13.163 ( 0.000 0.000 0.000) 0.000 13.185 ( 0.000 0.000 0.000) 0.000 13.185 ( 0.000 0.000 0.000) 0.000 13.250 ( 0.000 0.000 0.000) 0.000 13.339 ( 0.000 0.000 0.000) 0.000 13.466 ( 0.000 0.000 0.000) 0.000 13.466 ( 0.000 0.000 0.000) 0.000 17.357 ( 0.000 0.000 0.000) 0.000 17.357 ( 0.000 0.000 0.000) 0.000 17.445 ( 0.000 0.000 0.000) 0.000 17.445 ( 0.000 0.000 0.000) 0.000 17.518 ( 0.000 0.000 0.000) 0.000 17.665 ( 0.000 0.000 0.000) 0.000 17.857 ( 0.000 0.000 0.000) 0.000 17.857 ( 0.000 0.000 0.000) 0.000 17.879 ( 0.000 0.000 0.000) 0.000 17.879 ( 0.000 0.000 0.000) 0.000 17.898 ( 0.000 0.000 0.000) 0.000 17.964 ( 0.000 0.000 0.000) 0.000 17.976 ( 0.000 0.000 0.000) 0.000 17.976 ( 0.000 0.000 0.000) 0.000 18.052 ( 0.000 0.000 0.000) 0.000 18.131 ( 0.000 0.000 0.000) 0.000 18.178 ( 0.000 0.000 0.000) 0.000 18.178 ( 0.000 0.000 0.000) 0.000 27.582 ( 0.000 0.000 0.000) 0.000 27.582 ( 0.000 0.000 0.000) 0.000 27.614 ( 0.000 0.000 0.000) 0.000 27.614 ( 0.000 0.000 0.000) 0.000 27.657 ( 0.000 0.000 0.000) 0.000 28.203 ( 0.000 0.000 0.000) 0.000 28.273 ( 0.000 0.000 0.000) 0.000 28.273 ( 0.000 0.000 0.000) 0.000 28.538 ( 0.000 0.000 0.000) 0.000 28.538 ( 0.000 0.000 0.000) 0.000 29.164 ( 0.000 0.000 0.000) 0.000 29.723 ( 0.000 0.000 0.000) 0.000 29.736 ( 0.000 0.000 0.000) 0.000 30.411 ( 0.000 0.000 0.000) 0.000 30.411 ( 0.000 0.000 0.000) 0.000 31.089 ( 0.000 0.000 0.000) 0.000 31.089 ( 0.000 0.000 0.000) 0.000 33.009 ( 0.000 0.000 0.000) 0.000 36.124 ( 0.000 0.000 0.000) 0.000 36.124 ( 0.000 0.000 0.000) 0.000 36.358 ( 0.000 0.000 0.000) 0.000 36.426 ( 0.000 0.000 0.000) 0.000 36.426 ( 0.000 0.000 0.000) 0.000 37.592 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 12.356 6.293 0.000) 13.866 0.613 ( 23.387 13.991 0.000) 27.252 0.707 ( 28.395 16.422 0.000) 32.802 1.686 ( -3.921 -2.884 0.000) 4.867 1.755 ( 0.701 0.967 0.000) 1.195 1.908 ( -0.228 -1.152 0.000) 1.174 1.973 ( 4.076 3.582 0.000) 5.426 2.240 ( 1.072 0.167 0.000) 1.085 2.314 ( -0.386 -0.037 0.000) 0.387 2.377 ( 8.820 5.139 0.000) 10.208 2.475 ( 4.180 2.333 0.000) 4.787 3.064 ( -4.758 -2.333 0.000) 5.299 3.485 ( -16.122 -9.992 0.000) 18.967 3.798 ( -8.843 -4.120 0.000) 9.756 3.815 ( -1.069 0.331 0.000) 1.119 3.838 ( -3.672 -3.799 0.000) 5.284 3.876 ( 4.114 1.770 0.000) 4.478 3.920 ( -4.210 -1.777 0.000) 4.569 4.123 ( 1.246 0.703 0.000) 1.431 4.242 ( -1.455 -0.538 0.000) 1.551 4.248 ( 6.353 3.657 0.000) 7.331 4.351 ( 0.703 0.064 0.000) 0.706 4.437 ( 9.528 5.543 0.000) 11.023 4.585 ( 4.211 2.329 0.000) 4.812 4.668 ( -4.844 -2.792 0.000) 5.591 4.866 ( -0.432 -0.187 0.000) 0.471 4.882 ( -2.866 -1.867 0.000) 3.420 4.945 ( -3.162 -0.438 0.000) 3.192 5.092 ( 5.022 1.216 0.000) 5.167 5.157 ( 0.102 -0.152 0.000) 0.183 5.201 ( 1.930 1.292 0.000) 2.322 5.389 ( 2.604 0.882 0.000) 2.749 5.413 ( 0.735 2.010 0.000) 2.140 5.483 ( 1.858 1.064 0.000) 2.141 5.844 ( -3.762 -0.718 0.000) 3.830 5.872 ( -0.286 -2.262 0.000) 2.280 5.979 ( -7.569 -4.360 0.000) 8.735 6.234 ( -1.981 -1.161 0.000) 2.296 6.249 ( -2.508 -1.174 0.000) 2.769 6.358 ( -1.843 -0.259 0.000) 1.861 6.366 ( 5.214 3.019 0.000) 6.025 6.413 ( 2.340 0.607 0.000) 2.417 12.770 ( -1.106 -0.635 0.000) 1.275 12.793 ( 0.606 0.344 0.000) 0.697 12.879 ( 0.100 0.059 0.000) 0.116 12.969 ( -1.147 -0.657 0.000) 1.322 12.994 ( 0.693 0.391 0.000) 0.796 13.172 ( 0.525 -0.381 0.000) 0.649 13.174 ( -1.038 0.295 0.000) 1.079 13.193 ( 0.988 0.352 0.000) 1.049 13.255 ( 0.313 0.191 0.000) 0.367 13.356 ( 1.335 0.771 0.000) 1.542 13.455 ( -0.797 -0.462 0.000) 0.921 13.463 ( -0.241 -0.137 0.000) 0.277 17.323 ( -1.737 -1.781 0.000) 2.488 17.349 ( -1.064 0.410 0.000) 1.140 17.449 ( 0.496 -0.009 0.000) 0.496 17.569 ( 3.414 2.069 0.000) 3.992 17.594 ( -2.845 -1.737 0.000) 3.334 17.732 ( 2.586 1.512 0.000) 2.995 17.858 ( 0.033 0.057 0.000) 0.066 17.860 ( 0.293 0.124 0.000) 0.318 17.888 ( 0.572 0.374 0.000) 0.684 17.891 ( 0.939 0.505 0.000) 1.067 17.895 ( -0.415 -0.231 0.000) 0.474 17.955 ( -1.736 -0.482 0.000) 1.802 17.956 ( -0.665 -0.383 0.000) 0.768 17.976 ( 0.279 -0.409 0.000) 0.495 18.041 ( -0.842 -0.486 0.000) 0.972 18.134 ( 0.007 0.221 0.000) 0.221 18.185 ( 0.607 0.107 0.000) 0.616 18.253 ( -0.538 -0.222 0.000) 0.582 27.537 ( -1.904 -1.185 0.000) 2.243 27.579 ( -0.658 0.376 0.000) 0.758 27.611 ( 0.174 -0.750 0.000) 0.770 27.720 ( 2.678 1.441 0.000) 3.042 27.778 ( 1.490 1.140 0.000) 1.876 28.179 ( -1.968 -1.138 0.000) 2.273 28.245 ( -1.919 -1.109 0.000) 2.216 28.274 ( 0.073 0.043 0.000) 0.085 28.538 ( 0.019 0.008 0.000) 0.020 28.563 ( 1.659 0.960 0.000) 1.917 29.198 ( 2.813 1.624 0.000) 3.248 29.703 ( -2.711 -1.565 0.000) 3.130 29.751 ( 2.319 1.336 0.000) 2.676 30.380 ( -2.780 -1.594 0.000) 3.205 31.071 ( -6.471 8.819 0.000) 10.938 31.092 ( 5.768 -9.480 0.000) 11.097 32.400 ( 3.263 2.303 0.000) 3.994 33.004 ( -0.231 -0.294 0.000) 0.374 36.083 ( -3.077 -0.558 0.000) 3.127 36.095 ( -1.564 -2.123 0.000) 2.637 36.418 ( 4.749 0.992 0.000) 4.852 36.440 ( 0.284 1.922 0.000) 1.943 37.235 ( -0.966 -0.569 0.000) 1.121 37.586 ( -0.463 -0.267 0.000) 0.534 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 8.206 2.897 0.000) 8.702 1.090 ( 14.619 9.847 0.000) 17.627 1.337 ( 22.830 13.762 0.000) 26.657 1.572 ( -5.292 -2.063 0.000) 5.680 1.788 ( 2.552 -0.300 0.000) 2.569 1.885 ( -0.308 -3.057 0.000) 3.073 2.098 ( 3.022 4.066 0.000) 5.066 2.253 ( -6.133 2.712 0.000) 6.706 2.272 ( 4.092 -3.667 0.000) 5.494 2.597 ( 5.334 3.443 0.000) 6.349 2.623 ( 9.188 5.205 0.000) 10.560 2.935 ( -6.148 -1.981 0.000) 6.459 3.125 ( -11.690 -8.383 0.000) 14.385 3.590 ( -7.138 -4.302 0.000) 8.334 3.707 ( -5.513 -3.477 0.000) 6.518 3.797 ( -0.731 -0.209 0.000) 0.760 3.851 ( -2.203 -1.247 0.000) 2.531 3.977 ( 3.984 2.171 0.000) 4.537 4.106 ( -1.508 -0.938 0.000) 1.776 4.190 ( -2.789 -0.826 0.000) 2.909 4.330 ( 0.722 0.489 0.000) 0.872 4.389 ( 2.679 1.169 0.000) 2.923 4.557 ( -4.053 -2.268 0.000) 4.645 4.634 ( 6.432 3.356 0.000) 7.255 4.724 ( 5.840 2.736 0.000) 6.449 4.838 ( -1.344 0.296 0.000) 1.377 4.848 ( -1.142 -0.334 0.000) 1.190 4.885 ( -2.081 -1.037 0.000) 2.325 5.174 ( 1.459 0.403 0.000) 1.513 5.188 ( 5.023 0.404 0.000) 5.040 5.214 ( -0.967 -0.227 0.000) 0.993 5.435 ( 0.856 -0.137 0.000) 0.866 5.467 ( 1.081 5.021 0.000) 5.136 5.549 ( 3.100 1.747 0.000) 3.558 5.768 ( -2.441 -1.608 0.000) 2.923 5.813 ( -5.619 -3.173 0.000) 6.453 5.838 ( -0.155 -3.029 0.000) 3.033 6.147 ( -5.820 -1.643 0.000) 6.048 6.175 ( -2.466 -1.478 0.000) 2.874 6.340 ( -0.207 -0.129 0.000) 0.244 6.463 ( 1.890 0.736 0.000) 2.028 6.464 ( 2.733 1.598 0.000) 3.166 12.742 ( -1.008 -0.573 0.000) 1.160 12.808 ( 0.560 0.303 0.000) 0.637 12.883 ( 0.220 0.138 0.000) 0.260 12.941 ( -0.943 -0.533 0.000) 1.083 13.015 ( 0.877 0.476 0.000) 0.998 13.153 ( -0.816 -0.510 0.000) 0.962 13.175 ( -0.114 0.182 0.000) 0.214 13.223 ( 1.424 0.539 0.000) 1.522 13.259 ( -0.091 0.037 0.000) 0.098 13.394 ( 1.635 0.948 0.000) 1.890 13.433 ( -0.856 -0.510 0.000) 0.996 13.453 ( -0.645 -0.362 0.000) 0.740 17.281 ( -0.874 -1.181 0.000) 1.470 17.332 ( -1.054 0.317 0.000) 1.101 17.462 ( 0.818 0.111 0.000) 0.825 17.530 ( -2.403 -1.190 0.000) 2.682 17.660 ( 3.732 1.838 0.000) 4.160 17.788 ( 1.916 1.160 0.000) 2.240 17.860 ( 0.082 0.083 0.000) 0.117 17.873 ( 0.876 0.420 0.000) 0.972 17.874 ( -1.312 -0.596 0.000) 1.441 17.902 ( 0.392 0.402 0.000) 0.561 17.914 ( -1.911 -0.555 0.000) 1.990 17.917 ( 0.788 0.276 0.000) 0.835 17.937 ( -0.411 -0.182 0.000) 0.450 17.978 ( 0.485 -0.426 0.000) 0.646 18.013 ( -1.395 -0.807 0.000) 1.612 18.132 ( -0.421 0.120 0.000) 0.437 18.196 ( 0.471 -0.223 0.000) 0.521 18.242 ( -0.416 0.046 0.000) 0.419 27.512 ( -0.074 -0.215 0.000) 0.227 27.560 ( -1.642 -0.017 0.000) 1.642 27.609 ( 0.486 -0.724 0.000) 0.872 27.738 ( 0.000 -0.244 0.000) 0.244 27.868 ( 4.344 3.016 0.000) 5.288 28.113 ( -3.287 -1.936 0.000) 3.814 28.200 ( -1.488 -0.861 0.000) 1.719 28.276 ( 0.071 0.045 0.000) 0.084 28.539 ( 0.022 0.004 0.000) 0.022 28.600 ( 1.180 0.688 0.000) 1.366 29.290 ( 4.399 2.539 0.000) 5.079 29.615 ( -4.251 -2.454 0.000) 4.908 29.832 ( 4.104 2.322 0.000) 4.716 30.278 ( -5.265 -2.889 0.000) 6.005 31.060 ( -8.116 14.461 0.000) 16.583 31.096 ( 8.645 -14.921 0.000) 17.245 32.483 ( 2.288 2.594 0.000) 3.459 33.000 ( 0.226 -0.443 0.000) 0.498 36.028 ( -2.717 0.535 0.000) 2.770 36.043 ( -0.887 -2.657 0.000) 2.801 36.463 ( 1.597 -0.929 0.000) 1.848 36.516 ( 2.628 3.441 0.000) 4.329 37.206 ( -1.181 -0.726 0.000) 1.386 37.573 ( -0.497 -0.287 0.000) 0.574 ======================= Grid point 3 (4/40) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 0.000 0.000) 0.000 1.302 ( 0.000 0.000 0.000) 0.000 1.484 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 -0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 -0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 -0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 -0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 -0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 6.072 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.485 ( 0.000 -0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 12.729 ( 0.000 0.000 0.000) 0.000 12.815 ( 0.000 0.000 0.000) 0.000 12.887 ( 0.000 0.000 0.000) 0.000 12.929 ( 0.000 0.000 0.000) 0.000 13.027 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 0.000) 0.000 13.174 ( 0.000 0.000 0.000) 0.000 13.245 ( -0.000 -0.000 0.000) 0.000 13.253 ( 0.000 0.000 0.000) 0.000 13.422 ( 0.000 0.000 0.000) 0.000 13.425 ( 0.000 0.000 0.000) 0.000 13.435 ( 0.000 0.000 0.000) 0.000 17.268 ( 0.000 0.000 0.000) 0.000 17.323 ( 0.000 0.000 0.000) 0.000 17.481 ( 0.000 0.000 0.000) 0.000 17.489 ( 0.000 0.000 0.000) 0.000 17.714 ( 0.000 -0.000 0.000) 0.000 17.815 ( 0.000 0.000 0.000) 0.000 17.852 ( 0.000 0.000 0.000) 0.000 17.861 ( 0.000 0.000 0.000) 0.000 17.889 ( 0.000 0.000 0.000) 0.000 17.894 ( -0.000 0.000 0.000) 0.000 17.903 ( 0.000 -0.000 0.000) 0.000 17.910 ( 0.000 0.000 0.000) 0.000 17.953 ( 0.000 0.000 0.000) 0.000 17.982 ( 0.000 0.000 0.000) 0.000 17.987 ( -0.000 -0.000 0.000) 0.000 18.127 ( 0.000 0.000 0.000) 0.000 18.197 ( 0.000 0.000 0.000) 0.000 18.240 ( 0.000 0.000 0.000) 0.000 27.522 ( -0.000 -0.000 0.000) 0.000 27.532 ( 0.000 0.000 0.000) 0.000 27.610 ( 0.000 0.000 0.000) 0.000 27.736 ( 0.000 0.000 0.000) 0.000 27.947 ( 0.000 0.000 0.000) 0.000 28.051 ( -0.000 -0.000 0.000) 0.000 28.182 ( 0.000 0.000 0.000) 0.000 28.277 ( 0.000 0.000 0.000) 0.000 28.539 ( 0.000 0.000 0.000) 0.000 28.614 ( 0.000 0.000 0.000) 0.000 29.365 ( 0.000 0.000 0.000) 0.000 29.541 ( 0.000 0.000 0.000) 0.000 29.901 ( 0.000 0.000 0.000) 0.000 30.192 ( 0.000 0.000 0.000) 0.000 31.067 ( -0.000 0.000 0.000) 0.000 31.094 ( 0.000 -0.000 0.000) 0.000 32.519 ( 0.000 0.000 0.000) 0.000 33.001 ( 0.000 0.000 0.000) 0.000 36.005 ( 0.000 0.000 0.000) 0.000 36.020 ( 0.000 0.000 0.000) 0.000 36.473 ( 0.000 0.000 0.000) 0.000 36.561 ( 0.000 0.000 0.000) 0.000 37.189 ( 0.000 0.000 0.000) 0.000 37.566 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/40) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 6.126 13.982 0.000) 15.265 0.958 ( 10.623 15.747 0.000) 18.995 1.183 ( 14.800 25.109 0.000) 29.146 1.589 ( -2.857 -5.686 0.000) 6.364 1.775 ( -0.662 0.580 0.000) 0.880 1.941 ( -2.461 4.477 0.000) 5.109 2.030 ( 6.427 1.340 0.000) 6.565 2.198 ( -2.557 -3.368 0.000) 4.229 2.356 ( 0.713 1.516 0.000) 1.675 2.535 ( 5.264 9.164 0.000) 10.568 2.563 ( 3.399 5.698 0.000) 6.635 2.959 ( -2.968 -7.283 0.000) 7.864 3.222 ( -8.512 -12.555 0.000) 15.168 3.629 ( -5.111 -8.974 0.000) 10.328 3.766 ( -2.692 -3.185 0.000) 4.170 3.861 ( 1.909 1.359 0.000) 2.344 3.872 ( -1.580 -3.488 0.000) 3.829 3.898 ( 0.577 2.725 0.000) 2.785 4.113 ( -0.916 -1.521 0.000) 1.776 4.193 ( -1.391 -3.764 0.000) 4.013 4.320 ( 0.995 1.637 0.000) 1.916 4.351 ( 0.197 1.141 0.000) 1.158 4.583 ( -2.108 -3.618 0.000) 4.188 4.613 ( 4.424 7.991 0.000) 9.134 4.690 ( 3.575 7.011 0.000) 7.870 4.836 ( -0.328 -1.555 0.000) 1.590 4.855 ( -0.234 -0.888 0.000) 0.919 4.918 ( -0.452 -2.112 0.000) 2.159 5.172 ( 0.541 1.904 0.000) 1.979 5.180 ( 0.627 6.201 0.000) 6.233 5.216 ( 0.193 -0.440 0.000) 0.480 5.376 ( 1.468 0.343 0.000) 1.508 5.478 ( 2.881 1.152 0.000) 3.103 5.516 ( 0.718 1.307 0.000) 1.491 5.799 ( -0.186 -2.964 0.000) 2.970 5.844 ( -3.901 0.247 0.000) 3.909 5.867 ( -2.634 -4.656 0.000) 5.349 6.180 ( -2.205 -3.730 0.000) 4.333 6.204 ( -0.238 -4.743 0.000) 4.749 6.271 ( -3.395 -4.092 0.000) 5.317 6.448 ( 2.182 3.746 0.000) 4.335 6.486 ( 1.942 3.819 0.000) 4.285 12.746 ( -0.797 -1.393 0.000) 1.605 12.810 ( 0.615 1.094 0.000) 1.255 12.880 ( 0.018 0.016 0.000) 0.024 12.947 ( -0.697 -1.224 0.000) 1.409 13.012 ( 0.659 1.187 0.000) 1.358 13.144 ( -0.847 -1.482 0.000) 1.707 13.199 ( 1.514 0.432 0.000) 1.574 13.205 ( -0.473 1.481 0.000) 1.555 13.258 ( 0.072 0.010 0.000) 0.072 13.383 ( 0.924 1.598 0.000) 1.846 13.438 ( -0.615 -1.051 0.000) 1.218 13.458 ( -0.208 -0.372 0.000) 0.426 17.284 ( -1.167 -1.152 0.000) 1.640 17.362 ( 0.890 -0.232 0.000) 0.920 17.439 ( -0.674 -0.114 0.000) 0.684 17.541 ( -1.500 -2.887 0.000) 3.253 17.639 ( 2.037 3.979 0.000) 4.470 17.775 ( 1.336 2.220 0.000) 2.591 17.863 ( 0.451 0.247 0.000) 0.514 17.864 ( -0.023 0.548 0.000) 0.549 17.882 ( -0.538 -1.059 0.000) 1.188 17.901 ( 0.561 0.628 0.000) 0.842 17.909 ( 0.500 1.185 0.000) 1.287 17.941 ( 0.739 -1.830 0.000) 1.973 17.941 ( -0.512 -0.918 0.000) 1.051 17.960 ( -1.887 0.022 0.000) 1.887 18.022 ( -0.756 -1.307 0.000) 1.510 18.138 ( 0.541 0.204 0.000) 0.578 18.197 ( -0.171 0.835 0.000) 0.852 18.238 ( -0.305 -1.169 0.000) 1.208 27.513 ( -0.567 -0.777 0.000) 0.962 27.573 ( 0.851 -1.618 0.000) 1.828 27.594 ( -1.727 0.243 0.000) 1.744 27.778 ( -0.547 1.264 0.000) 1.378 27.811 ( 3.704 3.853 0.000) 5.345 28.133 ( -1.833 -3.138 0.000) 3.634 28.203 ( -1.303 -2.255 0.000) 2.604 28.289 ( 0.682 1.176 0.000) 1.360 28.515 ( -1.009 -1.739 0.000) 2.011 28.609 ( 1.534 2.651 0.000) 3.063 29.262 ( 2.456 4.254 0.000) 4.912 29.641 ( -2.405 -4.165 0.000) 4.810 29.807 ( 2.239 3.930 0.000) 4.523 30.342 ( -1.325 -2.464 0.000) 2.798 30.857 ( -4.516 -10.209 0.000) 11.163 31.274 ( 2.803 8.479 0.000) 8.930 32.480 ( 3.843 4.479 0.000) 5.901 32.977 ( -1.702 -1.951 0.000) 2.590 36.027 ( -0.712 -2.154 0.000) 2.268 36.097 ( -1.012 -0.730 0.000) 1.248 36.312 ( -2.419 -3.733 0.000) 4.448 36.621 ( 5.169 8.342 0.000) 9.814 37.202 ( -1.466 -2.466 0.000) 2.868 37.576 ( -0.327 -0.566 0.000) 0.654 ======================= Grid point 9 (6/40) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -0.990 13.711 0.000) 13.746 1.247 ( 7.595 4.892 0.000) 9.034 1.496 ( -2.095 -5.278 0.000) 5.679 1.668 ( 13.167 15.147 0.000) 20.070 1.736 ( 1.209 -4.436 0.000) 4.598 1.901 ( -7.324 4.619 0.000) 8.658 2.096 ( -1.568 -3.088 0.000) 3.464 2.205 ( 7.615 -0.597 0.000) 7.638 2.319 ( -5.509 -0.410 0.000) 5.525 2.685 ( 4.514 0.368 0.000) 4.529 2.705 ( 4.806 5.953 0.000) 7.651 2.821 ( -4.349 -5.909 0.000) 7.337 3.000 ( -4.658 -4.336 0.000) 6.364 3.498 ( -1.654 -2.286 0.000) 2.821 3.683 ( -4.650 0.202 0.000) 4.654 3.805 ( 0.112 -3.505 0.000) 3.507 3.858 ( -3.616 5.177 0.000) 6.315 3.986 ( 5.380 -0.598 0.000) 5.413 4.064 ( -1.559 -3.134 0.000) 3.500 4.140 ( -0.370 -2.704 0.000) 2.729 4.327 ( 0.037 -0.629 0.000) 0.630 4.401 ( 3.377 1.016 0.000) 3.527 4.498 ( -2.636 -3.144 0.000) 4.103 4.745 ( 1.392 5.409 0.000) 5.585 4.798 ( 1.188 3.638 0.000) 3.827 4.838 ( -0.756 -0.686 0.000) 1.021 4.844 ( 1.232 0.712 0.000) 1.423 4.876 ( -2.368 -0.399 0.000) 2.401 5.199 ( -0.777 -0.965 0.000) 1.239 5.221 ( 0.473 4.425 0.000) 4.450 5.243 ( 0.740 4.117 0.000) 4.183 5.438 ( 2.893 -1.647 0.000) 3.329 5.505 ( 1.503 -6.150 0.000) 6.331 5.519 ( -0.018 2.250 0.000) 2.250 5.735 ( -2.252 -2.270 0.000) 3.198 5.820 ( 0.164 2.455 0.000) 2.461 5.830 ( -2.324 4.939 0.000) 5.459 6.101 ( -0.165 -5.442 0.000) 5.445 6.112 ( -4.802 -2.016 0.000) 5.208 6.218 ( 4.295 -7.950 0.000) 9.036 6.503 ( 0.603 1.685 0.000) 1.790 6.541 ( -0.510 3.844 0.000) 3.878 12.723 ( -0.184 -0.974 0.000) 0.991 12.829 ( -0.150 1.501 0.000) 1.508 12.880 ( 0.269 -0.525 0.000) 0.590 12.927 ( -0.227 -0.703 0.000) 0.739 13.036 ( 0.189 1.528 0.000) 1.539 13.117 ( 0.119 -2.089 0.000) 2.093 13.206 ( -1.148 1.733 0.000) 2.079 13.231 ( 1.392 0.278 0.000) 1.419 13.255 ( -0.221 -0.516 0.000) 0.561 13.411 ( 0.526 -0.084 0.000) 0.533 13.423 ( 0.176 0.330 0.000) 0.374 13.447 ( -0.669 -0.293 0.000) 0.730 17.268 ( -0.146 0.126 0.000) 0.193 17.356 ( -1.834 1.564 0.000) 2.411 17.445 ( 2.147 -1.473 0.000) 2.603 17.489 ( -1.067 -2.236 0.000) 2.478 17.713 ( 1.546 3.014 0.000) 3.387 17.809 ( 0.376 0.051 0.000) 0.379 17.863 ( -0.202 0.204 0.000) 0.287 17.867 ( -0.282 0.639 0.000) 0.698 17.881 ( 1.082 0.309 0.000) 1.125 17.907 ( -0.454 -0.831 0.000) 0.947 17.911 ( -2.563 -0.043 0.000) 2.563 17.920 ( -0.457 0.963 0.000) 1.066 17.941 ( 1.181 0.346 0.000) 1.231 17.950 ( 1.718 -1.977 0.000) 2.619 17.991 ( -0.960 -1.233 0.000) 1.563 18.148 ( -0.562 1.456 0.000) 1.560 18.196 ( -0.212 0.039 0.000) 0.215 18.226 ( 0.518 -1.472 0.000) 1.560 27.510 ( 0.528 0.194 0.000) 0.563 27.549 ( -1.266 -1.285 0.000) 1.804 27.588 ( 0.779 -0.519 0.000) 0.936 27.778 ( -1.562 2.903 0.000) 3.297 27.919 ( 3.800 2.160 0.000) 4.371 28.056 ( -2.357 -3.467 0.000) 4.193 28.168 ( -0.168 -1.596 0.000) 1.605 28.313 ( -0.821 3.091 0.000) 3.198 28.481 ( 1.113 -4.108 0.000) 4.256 28.652 ( -0.245 2.672 0.000) 2.684 29.360 ( 2.679 4.027 0.000) 4.837 29.544 ( -2.580 -4.125 0.000) 4.866 29.896 ( 2.215 3.320 0.000) 3.991 30.275 ( -5.473 2.940 0.000) 6.213 30.723 ( 5.969 -17.227 0.000) 18.232 31.376 ( -3.353 12.114 0.000) 12.570 32.580 ( -0.753 6.533 0.000) 6.576 32.927 ( 1.966 -6.360 0.000) 6.657 36.011 ( 0.017 -0.470 0.000) 0.471 36.054 ( -3.082 1.945 0.000) 3.645 36.272 ( 4.682 -9.093 0.000) 10.228 36.763 ( -2.287 12.241 0.000) 12.453 37.146 ( 0.546 -5.165 0.000) 5.194 37.566 ( -0.170 -0.300 0.000) 0.345 ======================= Grid point 10 (7/40) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -10.131 7.588 0.000) 12.658 1.230 ( -9.278 -4.280 0.000) 10.218 1.473 ( 5.220 -0.291 0.000) 5.228 1.643 ( -18.335 -2.145 0.000) 18.460 1.767 ( 4.476 -3.934 0.000) 5.960 1.983 ( -0.298 10.356 0.000) 10.361 2.097 ( 5.207 -3.240 0.000) 6.133 2.121 ( -5.726 -4.985 0.000) 7.592 2.341 ( 2.169 2.419 0.000) 3.248 2.687 ( -2.467 -3.768 0.000) 4.504 2.689 ( -6.733 -0.357 0.000) 6.743 2.822 ( 5.132 0.522 0.000) 5.158 3.010 ( 7.106 1.537 0.000) 7.270 3.503 ( 3.009 0.061 0.000) 3.010 3.677 ( 2.234 4.169 0.000) 4.730 3.811 ( 3.072 -1.828 0.000) 3.575 3.858 ( -2.806 5.719 0.000) 6.370 3.985 ( -1.947 -4.870 0.000) 5.245 4.067 ( 3.429 -0.329 0.000) 3.445 4.133 ( 1.979 -0.832 0.000) 2.147 4.326 ( 0.470 -0.320 0.000) 0.569 4.401 ( -2.315 -2.469 0.000) 3.384 4.498 ( 3.941 0.737 0.000) 4.010 4.751 ( -5.222 1.343 0.000) 5.392 4.814 ( -4.191 0.500 0.000) 4.221 4.822 ( -0.707 0.200 0.000) 0.735 4.833 ( 0.852 0.424 0.000) 0.951 4.879 ( 1.138 1.294 0.000) 1.723 5.193 ( 0.694 0.487 0.000) 0.848 5.227 ( -3.480 1.500 0.000) 3.789 5.274 ( -2.010 1.117 0.000) 2.300 5.413 ( -1.231 -3.206 0.000) 3.434 5.491 ( -3.390 1.992 0.000) 3.931 5.505 ( 4.619 -4.398 0.000) 6.378 5.749 ( 2.768 0.102 0.000) 2.770 5.829 ( -3.164 4.500 0.000) 5.501 5.852 ( -0.044 0.784 0.000) 0.785 6.079 ( 2.965 2.238 0.000) 3.715 6.101 ( 4.828 -2.584 0.000) 5.477 6.229 ( 4.971 -6.444 0.000) 8.138 6.503 ( -1.774 0.325 0.000) 1.803 6.542 ( -2.973 2.323 0.000) 3.772 12.723 ( 0.930 -0.325 0.000) 0.985 12.830 ( -1.213 0.878 0.000) 1.497 12.880 ( 0.313 -0.495 0.000) 0.586 12.927 ( 0.715 -0.152 0.000) 0.731 13.037 ( -1.400 0.595 0.000) 1.521 13.116 ( 1.738 -1.145 0.000) 2.081 13.203 ( -1.082 1.626 0.000) 1.953 13.236 ( -0.890 -0.969 0.000) 1.316 13.252 ( 0.671 0.070 0.000) 0.675 13.410 ( -0.205 -0.473 0.000) 0.516 13.424 ( -0.358 -0.025 0.000) 0.359 13.446 ( 0.587 0.445 0.000) 0.737 17.272 ( 0.279 0.040 0.000) 0.282 17.349 ( -0.935 2.381 0.000) 2.558 17.450 ( 0.380 -2.625 0.000) 2.652 17.486 ( 2.431 -0.006 0.000) 2.431 17.716 ( -3.212 0.052 0.000) 3.212 17.809 ( -0.180 -0.312 0.000) 0.360 17.862 ( -0.367 0.431 0.000) 0.566 17.867 ( -0.441 0.514 0.000) 0.677 17.883 ( -0.820 -0.826 0.000) 1.164 17.901 ( 0.985 1.562 0.000) 1.846 17.903 ( 0.687 0.228 0.000) 0.724 17.923 ( -0.185 0.823 0.000) 0.843 17.940 ( -1.008 -0.950 0.000) 1.384 17.960 ( 1.406 -1.928 0.000) 2.386 17.991 ( 1.545 0.211 0.000) 1.559 18.146 ( -1.195 1.215 0.000) 1.704 18.201 ( 0.445 0.475 0.000) 0.650 18.222 ( 0.766 -1.418 0.000) 1.612 27.513 ( -0.443 -0.574 0.000) 0.725 27.540 ( 1.150 0.688 0.000) 1.340 27.595 ( 0.790 -1.010 0.000) 1.282 27.782 ( -1.476 2.887 0.000) 3.242 27.913 ( -4.097 -2.189 0.000) 4.645 28.057 ( 4.140 0.253 0.000) 4.148 28.168 ( 1.467 -0.653 0.000) 1.606 28.313 ( -2.268 2.257 0.000) 3.200 28.482 ( 3.004 -3.020 0.000) 4.260 28.652 ( -2.194 1.550 0.000) 2.686 29.360 ( -4.827 -0.307 0.000) 4.837 29.544 ( 4.863 0.172 0.000) 4.866 29.897 ( -3.951 -0.290 0.000) 3.962 30.273 ( 0.090 6.270 0.000) 6.270 30.717 ( 11.151 -13.338 0.000) 17.385 31.390 ( -7.505 8.343 0.000) 11.222 32.566 ( -6.102 4.030 0.000) 7.313 32.935 ( 4.864 -4.839 0.000) 6.861 36.004 ( -0.051 0.232 0.000) 0.237 36.062 ( 0.333 3.205 0.000) 3.222 36.273 ( 5.706 -8.751 0.000) 10.447 36.760 ( -9.670 8.199 0.000) 12.678 37.147 ( 4.223 -3.052 0.000) 5.211 37.566 ( 0.345 -0.003 0.000) 0.345 ======================= Grid point 15 (8/40) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.000 -0.000 0.000) 0.000 1.361 ( -3.113 -6.225 0.000) 6.960 1.361 ( 3.113 6.225 0.000) 6.960 1.660 ( 0.000 -0.000 0.000) 0.000 1.896 ( -3.671 -7.342 0.000) 8.208 1.896 ( 3.671 7.342 0.000) 8.208 2.119 ( -0.000 -0.000 0.000) 0.000 2.231 ( -3.072 -6.145 0.000) 6.870 2.231 ( 3.072 6.145 0.000) 6.870 2.673 ( -0.000 -0.000 0.000) 0.000 2.725 ( -0.000 -0.000 0.000) 0.000 2.882 ( -3.117 -6.235 0.000) 6.971 2.882 ( 3.117 6.235 0.000) 6.971 3.492 ( -0.000 -0.000 0.000) 0.000 3.716 ( -1.675 -3.350 0.000) 3.745 3.716 ( 1.675 3.350 0.000) 3.745 3.974 ( 0.000 -0.000 0.000) 0.000 3.975 ( -1.724 -3.449 0.000) 3.856 3.975 ( 1.724 3.449 0.000) 3.856 4.118 ( -0.000 -0.000 0.000) 0.000 4.318 ( -0.000 -0.000 0.000) 0.000 4.437 ( -1.118 -2.235 0.000) 2.499 4.437 ( 1.118 2.235 0.000) 2.499 4.817 ( -0.694 -1.387 0.000) 1.551 4.817 ( 0.694 1.387 0.000) 1.551 4.842 ( 0.000 0.000 0.000) 0.000 4.863 ( -0.365 -0.729 0.000) 0.815 4.863 ( 0.365 0.729 0.000) 0.815 5.187 ( -0.000 -0.000 0.000) 0.000 5.341 ( -2.236 -4.472 0.000) 5.000 5.341 ( 2.236 4.472 0.000) 5.000 5.351 ( -3.362 -6.723 0.000) 7.517 5.351 ( 3.362 6.723 0.000) 7.517 5.640 ( -3.172 -6.344 0.000) 7.093 5.640 ( 3.172 6.344 0.000) 7.093 5.869 ( -0.000 -0.000 0.000) 0.000 5.965 ( -3.180 -6.360 0.000) 7.110 5.965 ( 3.180 6.360 0.000) 7.110 6.098 ( -1.384 -2.767 0.000) 3.094 6.098 ( 1.384 2.767 0.000) 3.094 6.522 ( -0.000 -0.000 0.000) 0.000 6.583 ( -0.000 -0.000 0.000) 0.000 12.711 ( -0.000 -0.000 0.000) 0.000 12.861 ( -0.585 -1.170 0.000) 1.308 12.861 ( 0.585 1.170 0.000) 1.308 12.919 ( -0.000 -0.000 0.000) 0.000 13.074 ( -0.886 -1.771 0.000) 1.980 13.074 ( 0.886 1.771 0.000) 1.980 13.235 ( -0.327 -0.655 0.000) 0.732 13.235 ( 0.327 0.655 0.000) 0.732 13.238 ( 0.000 -0.000 0.000) 0.000 13.404 ( -0.000 -0.000 0.000) 0.000 13.438 ( -0.266 -0.533 0.000) 0.596 13.438 ( 0.266 0.533 0.000) 0.596 17.273 ( -0.000 -0.000 0.000) 0.000 17.399 ( -1.174 -2.349 0.000) 2.626 17.399 ( 1.174 2.349 0.000) 2.626 17.464 ( -0.000 -0.000 0.000) 0.000 17.774 ( -1.191 -2.382 0.000) 2.663 17.774 ( 1.191 2.382 0.000) 2.663 17.885 ( -0.539 -1.052 0.000) 1.182 17.885 ( 0.457 0.383 0.000) 0.596 17.885 ( 0.082 0.669 0.000) 0.674 17.896 ( -0.000 0.000 0.000) 0.000 17.908 ( -0.462 -0.923 0.000) 1.032 17.908 ( 0.462 0.923 0.000) 1.032 17.941 ( -0.278 -0.555 0.000) 0.621 17.941 ( 0.278 0.555 0.000) 0.621 17.973 ( -0.000 -0.000 0.000) 0.000 18.185 ( -0.821 -1.643 0.000) 1.836 18.185 ( 0.821 1.643 0.000) 1.836 18.199 ( -0.000 0.000 0.000) 0.000 27.523 ( -0.423 -0.846 0.000) 0.946 27.523 ( 0.423 0.846 0.000) 0.946 27.583 ( -0.000 -0.000 0.000) 0.000 27.814 ( -0.000 -0.000 0.000) 0.000 27.978 ( -1.648 -3.297 0.000) 3.686 27.978 ( 1.648 3.297 0.000) 3.686 28.150 ( -0.000 -0.000 0.000) 0.000 28.392 ( -1.904 -3.809 0.000) 4.258 28.392 ( 1.904 3.809 0.000) 4.258 28.682 ( -0.000 -0.000 0.000) 0.000 29.451 ( -2.057 -4.113 0.000) 4.598 29.451 ( 2.057 4.113 0.000) 4.598 29.937 ( -0.000 -0.000 0.000) 0.000 30.421 ( -5.004 -10.007 0.000) 11.188 30.421 ( 5.004 10.007 0.000) 11.188 31.507 ( -0.000 -0.000 0.000) 0.000 32.754 ( -4.299 -8.597 0.000) 9.612 32.754 ( 4.299 8.597 0.000) 9.612 36.010 ( -0.000 -0.000 0.000) 0.000 36.122 ( -2.247 -4.494 0.000) 5.025 36.122 ( 2.247 4.494 0.000) 5.025 36.992 ( -4.235 -8.469 0.000) 9.469 36.992 ( 4.235 8.469 0.000) 9.469 37.563 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 43 (9/40) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 0.000 26.167) 26.167 0.540 ( 0.000 0.000 26.167) 26.167 0.991 ( -0.000 0.000 48.455) 48.455 1.613 ( 0.000 0.000 -6.891) 6.891 1.613 ( 0.000 -0.000 -6.891) 6.891 2.086 ( 0.000 0.000 10.544) 10.544 2.086 ( 0.000 -0.000 10.544) 10.544 2.244 ( 0.000 0.000 1.480) 1.480 2.244 ( 0.000 -0.000 1.480) 1.480 2.353 ( -0.000 0.000 -3.823) 3.823 2.480 ( -0.000 -0.000 11.813) 11.813 3.095 ( -0.000 0.000 -2.806) 2.806 3.095 ( -0.000 0.000 -2.806) 2.806 3.638 ( 0.000 0.000 -9.062) 9.062 3.638 ( -0.000 0.000 -9.062) 9.062 3.967 ( 0.000 0.000 -3.070) 3.070 4.023 ( 0.000 -0.000 -9.050) 9.050 4.074 ( -0.000 0.000 9.613) 9.613 4.074 ( 0.000 -0.000 9.613) 9.613 4.177 ( 0.000 0.000 -5.843) 5.843 4.177 ( -0.000 -0.000 -5.843) 5.843 4.443 ( 0.000 -0.000 8.354) 8.354 4.617 ( 0.000 0.000 5.751) 5.751 4.617 ( -0.000 0.000 5.751) 5.751 4.856 ( -0.000 -0.000 9.075) 9.075 4.881 ( 0.000 -0.000 0.599) 0.599 4.920 ( -0.000 0.000 -5.942) 5.942 4.920 ( 0.000 0.000 -5.942) 5.942 5.154 ( -0.000 0.000 -1.057) 1.057 5.154 ( -0.000 -0.000 -1.057) 1.057 5.263 ( 0.000 0.000 1.274) 1.274 5.430 ( -0.000 0.000 3.546) 3.546 5.435 ( -0.000 -0.000 7.656) 7.656 5.435 ( 0.000 0.000 7.656) 7.656 5.864 ( 0.000 -0.000 -1.774) 1.774 6.092 ( -0.000 0.000 -2.677) 2.677 6.098 ( -0.000 0.000 -11.132) 11.132 6.098 ( 0.000 0.000 -11.132) 11.132 6.193 ( -0.000 0.000 -6.720) 6.720 6.480 ( 0.000 0.000 4.750) 4.750 6.480 ( 0.000 0.000 4.750) 4.750 6.511 ( 0.000 0.000 -0.125) 0.125 12.799 ( 0.000 0.000 1.296) 1.296 12.799 ( -0.000 0.000 1.296) 1.296 12.917 ( -0.000 -0.000 -0.403) 0.403 12.981 ( 0.000 0.000 -0.400) 0.400 12.981 ( 0.000 0.000 -0.400) 0.400 13.176 ( 0.000 -0.000 1.271) 1.271 13.183 ( 0.000 0.000 -0.117) 0.117 13.183 ( 0.000 0.000 -0.117) 0.117 13.195 ( 0.000 0.000 -4.244) 4.244 13.368 ( -0.000 0.000 1.782) 1.782 13.453 ( 0.000 -0.000 -1.289) 1.289 13.453 ( -0.000 -0.000 -1.289) 1.289 17.354 ( 0.000 0.000 -0.297) 0.297 17.354 ( 0.000 0.000 -0.297) 0.297 17.429 ( 0.000 0.000 -1.367) 1.367 17.429 ( 0.000 0.000 -1.367) 1.367 17.526 ( -0.000 0.000 0.856) 0.856 17.669 ( -0.000 0.000 0.524) 0.524 17.855 ( 0.000 0.000 -1.737) 1.737 17.855 ( 0.000 0.000 -1.737) 1.737 17.856 ( 0.000 -0.000 -0.168) 0.168 17.856 ( 0.000 0.000 -0.168) 0.168 17.890 ( 0.000 0.000 -0.826) 0.826 18.007 ( 0.000 0.000 2.407) 2.407 18.007 ( 0.000 0.000 2.407) 2.407 18.024 ( 0.000 0.000 1.386) 1.386 18.048 ( -0.000 0.000 -0.565) 0.565 18.135 ( -0.000 0.000 0.514) 0.514 18.176 ( 0.000 0.000 -0.249) 0.249 18.176 ( 0.000 0.000 -0.249) 0.249 27.572 ( 0.000 0.000 -0.825) 0.825 27.572 ( 0.000 0.000 -0.825) 0.825 27.611 ( 0.000 0.000 -0.282) 0.282 27.611 ( 0.000 0.000 -0.282) 0.282 27.642 ( -0.000 0.000 -1.277) 1.277 28.166 ( 0.000 0.000 -3.602) 3.602 28.308 ( 0.000 0.000 3.282) 3.282 28.308 ( 0.000 0.000 3.282) 3.282 28.566 ( -0.000 0.000 2.508) 2.508 28.566 ( -0.000 0.000 2.508) 2.508 29.706 ( 0.000 -0.000 -1.591) 1.591 29.739 ( 0.000 0.000 0.057) 0.057 30.439 ( 0.000 0.000 2.711) 2.711 30.439 ( 0.000 -0.000 2.711) 2.711 31.067 ( -0.000 0.000 -2.099) 2.099 31.067 ( -0.000 0.000 -2.099) 2.099 33.071 ( 0.000 0.000 5.965) 5.965 33.550 ( 0.000 -0.000 2.855) 2.855 36.124 ( 0.000 0.000 0.078) 0.078 36.124 ( 0.000 0.000 0.078) 0.078 36.353 ( -0.000 0.000 -0.350) 0.350 36.408 ( -0.000 0.000 -1.723) 1.723 36.408 ( -0.000 0.000 -1.723) 1.723 37.522 ( -0.000 0.000 -6.722) 6.722 ======================= Grid point 44 (10/40) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 6.078 4.429 14.534) 16.365 0.614 ( 6.677 2.805 20.419) 21.665 1.322 ( 17.502 10.366 34.957) 40.444 1.616 ( -1.283 0.737 -3.612) 3.904 1.657 ( 4.835 1.189 -3.871) 6.307 2.025 ( -3.403 -3.390 7.522) 8.925 2.087 ( 1.335 2.331 8.096) 8.529 2.269 ( 0.992 1.325 2.502) 3.000 2.366 ( 8.070 2.760 1.503) 8.661 2.412 ( 4.415 3.487 -2.592) 6.195 2.505 ( 2.189 1.385 12.840) 13.098 3.046 ( -3.626 -1.873 -1.782) 4.454 3.162 ( -0.254 -0.525 -10.105) 10.122 3.655 ( 0.263 0.844 -7.972) 8.021 3.692 ( 4.297 2.022 -7.906) 9.223 3.911 ( -9.136 -4.540 2.648) 10.540 3.941 ( -3.653 -3.086 -4.931) 6.869 4.018 ( 1.373 0.977 0.958) 1.939 4.040 ( -0.204 -0.516 -1.578) 1.673 4.151 ( -3.015 -1.572 1.183) 3.600 4.286 ( 5.573 3.496 -0.832) 6.631 4.423 ( -1.531 -0.764 6.554) 6.773 4.499 ( -6.410 -3.771 6.409) 9.817 4.672 ( 2.062 1.024 5.047) 5.547 4.785 ( -2.823 -2.026 6.114) 7.032 4.840 ( -2.301 -0.563 -3.729) 4.418 4.911 ( -0.201 -0.018 -3.435) 3.441 4.932 ( 0.182 -0.297 -0.371) 0.509 5.111 ( 0.714 0.275 2.670) 2.777 5.167 ( 1.046 0.448 -0.544) 1.261 5.403 ( -2.776 -0.285 4.435) 5.240 5.417 ( 6.193 3.811 6.245) 9.585 5.441 ( 1.792 -1.207 2.919) 3.631 5.474 ( 2.855 2.720 1.862) 4.361 5.791 ( -5.141 -3.226 -4.857) 7.773 5.925 ( -7.647 -4.871 -3.524) 9.727 6.079 ( -9.193 -2.457 5.574) 11.028 6.126 ( 2.102 -0.894 -7.735) 8.065 6.239 ( 1.800 0.175 -2.835) 3.363 6.292 ( -2.985 -1.041 2.178) 3.839 6.457 ( -1.622 -0.800 3.837) 4.242 6.467 ( -0.649 -0.483 3.381) 3.477 12.785 ( -0.982 -0.563 1.464) 1.851 12.806 ( 0.513 0.289 1.183) 1.321 12.893 ( -0.919 -0.526 0.414) 1.137 12.969 ( -0.870 -0.494 -0.031) 1.001 12.993 ( 0.924 0.522 -0.071) 1.064 13.158 ( -1.002 -0.627 -1.799) 2.153 13.177 ( -0.173 -0.015 0.363) 0.402 13.190 ( 0.811 0.455 0.051) 0.931 13.224 ( 1.255 0.701 -2.091) 2.538 13.375 ( 0.597 0.346 1.224) 1.405 13.445 ( -0.702 -0.409 -1.166) 1.421 13.451 ( -0.190 -0.107 -1.210) 1.229 17.319 ( -1.849 -1.554 -0.313) 2.435 17.347 ( -0.796 0.209 -0.201) 0.847 17.427 ( -0.338 -0.123 -2.716) 2.739 17.450 ( 0.591 0.023 -5.566) 5.597 17.574 ( 3.209 1.891 0.488) 3.756 17.699 ( 1.434 0.865 -2.008) 2.614 17.853 ( 0.331 -0.127 -0.948) 1.012 17.855 ( -0.051 0.067 -1.606) 1.608 17.874 ( 0.830 0.703 -0.667) 1.276 17.887 ( -0.215 -0.128 -0.663) 0.709 17.909 ( 2.375 1.332 1.900) 3.321 17.985 ( -1.648 -0.598 2.031) 2.683 18.002 ( -0.164 -0.383 2.612) 2.645 18.017 ( -0.224 -0.221 2.590) 2.609 18.041 ( -0.579 -0.331 -0.174) 0.689 18.138 ( -0.122 0.146 0.456) 0.494 18.182 ( 0.733 0.014 -0.222) 0.766 18.200 ( 1.070 0.860 -2.528) 2.877 27.531 ( -1.775 -1.071 -0.489) 2.130 27.573 ( -0.285 0.342 -0.598) 0.746 27.604 ( -0.151 -0.917 -0.570) 1.090 27.653 ( 1.981 1.554 -3.139) 4.024 27.711 ( 4.277 2.427 -2.079) 5.339 28.126 ( -2.667 -1.543 -4.211) 5.218 28.315 ( 0.634 0.202 3.917) 3.973 28.345 ( 1.406 1.036 5.494) 5.765 28.564 ( 0.019 -0.432 2.306) 2.346 28.594 ( 2.100 1.597 2.324) 3.516 29.542 ( -12.746 -7.361 4.963) 15.533 29.701 ( -3.111 -1.782 -0.342) 3.601 30.085 ( -11.251 -6.558 23.199) 26.605 30.416 ( -2.020 -1.138 3.418) 4.130 31.062 ( -2.382 3.445 -1.535) 4.461 31.090 ( 2.687 -3.336 -0.762) 4.350 32.864 ( -19.643 -10.978 31.042) 38.340 33.070 ( -0.040 -0.293 6.491) 6.498 36.087 ( -2.956 -0.156 0.406) 2.988 36.099 ( -1.078 -2.231 0.484) 2.525 36.402 ( 3.862 1.008 -1.354) 4.215 36.421 ( 0.376 1.526 -1.843) 2.422 36.891 ( 15.355 8.834 -21.025) 27.493 37.507 ( -1.095 -0.632 -7.097) 7.209 ======================= Grid point 45 (11/40) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 6.121 3.953 10.844) 13.064 0.898 ( 16.857 8.502 -2.513) 19.047 1.490 ( -3.771 -5.102 -1.155) 6.449 1.605 ( -2.615 6.112 0.689) 6.683 1.862 ( 8.088 1.809 13.778) 16.079 1.968 ( 6.382 -1.394 10.535) 12.396 2.187 ( 2.496 6.036 5.901) 8.802 2.308 ( 1.853 2.057 5.222) 5.911 2.447 ( 0.901 -2.312 13.133) 13.365 2.539 ( 3.930 3.841 -3.413) 6.469 2.649 ( 8.471 4.799 4.810) 10.859 2.951 ( -3.812 -2.224 0.439) 4.435 3.041 ( -6.920 -4.719 -2.602) 8.771 3.651 ( -1.211 0.131 -4.440) 4.604 3.673 ( -7.616 -4.299 3.818) 9.543 3.793 ( -0.989 0.385 1.352) 1.719 3.829 ( 0.030 -1.383 -4.515) 4.722 4.010 ( -2.375 -4.182 -0.565) 4.843 4.054 ( -1.477 1.142 3.099) 3.618 4.174 ( 5.108 4.282 -10.710) 12.615 4.370 ( 0.884 -0.623 6.301) 6.393 4.381 ( -1.411 -0.840 -2.164) 2.716 4.438 ( 1.247 1.953 -0.635) 2.403 4.598 ( -5.119 -3.454 5.417) 8.214 4.791 ( 2.862 -3.776 -3.458) 5.866 4.813 ( -2.107 3.627 -0.820) 4.274 4.896 ( -2.915 1.058 1.218) 3.332 4.970 ( 4.571 0.225 0.188) 4.581 5.154 ( 2.803 0.521 2.157) 3.575 5.204 ( 2.160 1.141 0.775) 2.563 5.343 ( -3.452 0.300 1.157) 3.653 5.447 ( 0.503 -0.975 1.972) 2.257 5.514 ( 1.845 0.849 5.663) 6.016 5.575 ( 1.020 2.873 -2.005) 3.649 5.651 ( -3.941 -4.494 -0.032) 5.977 5.729 ( -4.896 -3.085 -0.568) 5.815 5.997 ( -0.430 1.156 5.273) 5.415 6.142 ( -1.955 -0.044 -0.401) 1.996 6.172 ( -1.609 -2.496 -0.796) 3.075 6.319 ( 0.635 -0.768 -1.436) 1.748 6.420 ( -1.842 0.007 -1.672) 2.488 6.478 ( 1.655 0.775 -0.260) 1.846 12.760 ( -0.905 -0.517 1.756) 2.042 12.817 ( 0.372 0.188 0.828) 0.927 12.883 ( 0.006 0.040 -0.107) 0.114 12.947 ( -0.795 -0.444 0.499) 1.038 13.020 ( 1.199 0.645 0.603) 1.489 13.137 ( -0.729 -0.479 -1.532) 1.763 13.172 ( -0.266 0.004 -0.288) 0.392 13.215 ( 1.104 0.586 -0.581) 1.378 13.243 ( 0.280 0.121 -1.386) 1.419 13.396 ( 1.046 0.664 0.042) 1.240 13.424 ( -0.778 -0.547 -0.969) 1.357 13.442 ( -0.577 -0.288 -1.052) 1.234 17.277 ( -0.985 -1.141 -0.406) 1.561 17.333 ( -0.890 0.337 0.095) 0.956 17.414 ( -0.677 -0.203 -5.072) 5.121 17.453 ( 0.225 -0.401 -3.798) 3.826 17.656 ( 3.312 1.733 -0.229) 3.745 17.730 ( 0.959 0.870 -3.965) 4.171 17.847 ( -0.421 -0.623 -1.480) 1.660 17.859 ( 0.082 -0.174 -0.711) 0.737 17.880 ( -0.259 0.134 -0.531) 0.606 17.898 ( 0.865 0.649 0.225) 1.104 17.939 ( 0.462 -0.484 2.005) 2.114 17.952 ( -1.342 0.528 2.074) 2.526 17.991 ( -0.472 -0.308 3.656) 3.699 18.018 ( -0.270 -0.431 2.181) 2.239 18.025 ( 0.047 -0.320 1.972) 1.999 18.132 ( -0.559 0.134 0.040) 0.576 18.194 ( 0.401 -0.305 -0.243) 0.559 18.219 ( 0.471 0.541 -1.809) 1.946 27.508 ( -0.065 -0.155 -0.290) 0.336 27.558 ( -1.608 -0.027 -0.176) 1.618 27.597 ( 0.532 -0.862 -0.972) 1.404 27.688 ( 0.688 0.687 -2.994) 3.148 27.821 ( 4.520 2.722 -3.332) 6.241 28.049 ( -3.597 -2.118 -4.941) 6.468 28.331 ( 1.128 -0.690 6.460) 6.594 28.352 ( -1.163 1.031 9.043) 9.176 28.559 ( 0.255 -0.974 1.919) 2.167 28.651 ( 1.469 1.641 3.661) 4.273 29.342 ( -2.144 -1.208 3.053) 3.922 29.597 ( -5.136 -2.984 -1.570) 6.144 29.990 ( -0.147 -0.247 12.658) 12.661 30.349 ( -3.200 -1.679 6.181) 7.160 31.064 ( -6.625 12.740 -0.463) 14.367 31.094 ( 7.213 -12.862 -0.088) 14.746 32.666 ( -2.598 -0.485 16.800) 17.006 33.071 ( 0.450 -0.308 6.868) 6.889 36.034 ( -2.621 0.329 0.613) 2.712 36.057 ( -0.532 -2.270 1.527) 2.787 36.442 ( 1.403 -0.752 -2.011) 2.564 36.483 ( 2.109 2.944 -2.950) 4.671 37.078 ( 3.143 1.759 -11.254) 11.817 37.479 ( -1.008 -0.582 -8.491) 8.570 ======================= Grid point 46 (12/40) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 0.000 0.000 11.466) 11.466 1.264 ( 0.000 0.000 -0.355) 0.355 1.265 ( -0.000 -0.000 -12.092) 12.092 1.603 ( 0.000 0.000 -5.059) 5.059 1.883 ( 0.000 0.000 5.797) 5.797 2.122 ( 0.000 0.000 16.207) 16.207 2.244 ( 0.000 0.000 1.601) 1.601 2.348 ( 0.000 0.000 18.370) 18.370 2.421 ( 0.000 0.000 13.522) 13.522 2.611 ( 0.000 0.000 -4.835) 4.835 2.786 ( 0.000 0.000 5.505) 5.505 2.897 ( -0.000 0.000 -2.032) 2.032 2.913 ( 0.000 -0.000 3.029) 3.029 3.565 ( 0.000 0.000 5.447) 5.447 3.642 ( 0.000 0.000 -2.984) 2.984 3.745 ( 0.000 0.000 4.257) 4.257 3.883 ( 0.000 0.000 -6.673) 6.673 3.928 ( 0.000 0.000 3.126) 3.126 4.057 ( 0.000 0.000 -1.462) 1.462 4.249 ( 0.000 0.000 -1.654) 1.654 4.357 ( 0.000 0.000 -14.768) 14.768 4.392 ( 0.000 0.000 4.940) 4.940 4.472 ( 0.000 0.000 5.047) 5.047 4.510 ( 0.000 0.000 1.093) 1.093 4.793 ( 0.000 0.000 -3.922) 3.922 4.820 ( 0.000 0.000 -3.044) 3.044 4.865 ( 0.000 0.000 3.118) 3.118 5.024 ( 0.000 0.000 0.962) 0.962 5.203 ( 0.000 0.000 1.209) 1.209 5.232 ( 0.000 0.000 1.327) 1.327 5.314 ( 0.000 0.000 1.257) 1.257 5.442 ( 0.000 0.000 1.564) 1.564 5.481 ( 0.000 0.000 -11.669) 11.669 5.549 ( 0.000 0.000 11.692) 11.692 5.661 ( 0.000 0.000 5.501) 5.501 5.683 ( 0.000 -0.000 -6.111) 6.111 6.024 ( 0.000 0.000 6.584) 6.584 6.080 ( 0.000 -0.000 1.123) 1.123 6.156 ( 0.000 0.000 1.199) 1.199 6.318 ( 0.000 0.000 0.503) 0.503 6.400 ( 0.000 -0.000 -6.102) 6.102 6.503 ( 0.000 -0.000 -1.511) 1.511 12.749 ( 0.000 0.000 1.885) 1.885 12.821 ( 0.000 0.000 0.562) 0.562 12.886 ( 0.000 0.000 -0.244) 0.244 12.936 ( 0.000 0.000 0.701) 0.701 13.038 ( 0.000 0.000 1.116) 1.116 13.126 ( 0.000 0.000 -1.417) 1.417 13.170 ( 0.000 0.000 -0.521) 0.521 13.236 ( -0.000 -0.000 -0.747) 0.747 13.238 ( 0.000 0.000 -1.371) 1.371 13.412 ( 0.000 0.000 -1.010) 1.010 13.421 ( 0.000 0.000 -0.455) 0.455 13.426 ( 0.000 0.000 -0.909) 0.909 17.262 ( 0.000 0.000 -0.508) 0.508 17.326 ( 0.000 0.000 0.268) 0.268 17.406 ( 0.000 0.000 -5.665) 5.665 17.453 ( 0.000 0.000 -2.940) 2.940 17.704 ( 0.000 0.000 -0.671) 0.671 17.744 ( 0.000 0.000 -4.946) 4.946 17.836 ( 0.000 0.000 -1.078) 1.078 17.853 ( 0.000 0.000 -0.362) 0.362 17.881 ( 0.000 0.000 -0.600) 0.600 17.912 ( 0.000 0.000 0.531) 0.531 17.937 ( -0.000 -0.000 2.170) 2.170 17.941 ( 0.000 0.000 1.695) 1.695 17.992 ( 0.000 0.000 3.211) 3.211 18.000 ( -0.000 -0.000 1.743) 1.743 18.030 ( 0.000 0.000 3.612) 3.612 18.126 ( 0.000 0.000 -0.025) 0.025 18.194 ( 0.000 0.000 -0.308) 0.308 18.227 ( 0.000 0.000 -1.148) 1.148 27.517 ( -0.000 -0.000 -0.391) 0.391 27.531 ( 0.000 0.000 -0.057) 0.057 27.598 ( 0.000 0.000 -0.904) 0.904 27.698 ( 0.000 -0.000 -2.535) 2.535 27.903 ( 0.000 0.000 -3.430) 3.430 27.978 ( -0.000 0.000 -5.470) 5.470 28.334 ( 0.000 0.000 11.760) 11.760 28.349 ( 0.000 0.000 6.056) 6.056 28.555 ( 0.000 0.000 1.679) 1.679 28.671 ( 0.000 0.000 4.471) 4.471 29.356 ( 0.000 0.000 -0.810) 0.810 29.506 ( 0.000 0.000 -2.721) 2.721 29.997 ( 0.000 0.000 8.255) 8.255 30.302 ( 0.000 0.000 8.800) 8.800 31.082 ( -0.000 0.000 0.965) 0.965 31.083 ( 0.000 -0.000 -1.225) 1.225 32.648 ( 0.000 0.000 12.608) 12.608 33.075 ( 0.000 0.000 7.096) 7.096 36.011 ( 0.000 0.000 0.632) 0.632 36.040 ( 0.000 0.000 2.024) 2.024 36.451 ( -0.000 0.000 -2.096) 2.096 36.520 ( 0.000 0.000 -3.719) 3.719 37.109 ( 0.000 0.000 -7.466) 7.466 37.466 ( 0.000 0.000 -9.349) 9.349 ======================= Grid point 51 (13/40) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 8.440 10.898 5.016) 14.668 0.775 ( 4.953 13.461 6.359) 15.689 1.498 ( -2.457 0.305 3.449) 4.246 1.631 ( 9.196 -2.431 2.859) 9.932 1.765 ( 0.303 13.155 15.433) 20.281 2.000 ( -4.528 2.182 4.583) 6.802 2.120 ( 7.258 1.336 8.278) 11.090 2.290 ( 0.470 0.152 5.440) 5.463 2.467 ( -0.280 5.448 1.189) 5.583 2.536 ( 7.274 4.371 4.071) 9.412 2.553 ( 1.162 6.018 6.793) 9.149 2.961 ( -2.960 -5.400 -0.284) 6.165 3.101 ( -3.875 -5.411 -4.575) 8.076 3.694 ( -1.506 -2.519 -2.618) 3.933 3.717 ( 2.962 0.975 -3.672) 4.817 3.750 ( -3.600 -4.643 -1.142) 5.985 3.860 ( -3.307 -3.656 -0.449) 4.950 4.011 ( -1.289 -0.164 -3.603) 3.830 4.087 ( 0.606 1.040 4.277) 4.443 4.159 ( 2.737 1.671 -4.748) 5.729 4.327 ( 0.265 1.273 2.272) 2.618 4.400 ( 0.080 -0.961 2.935) 3.089 4.428 ( -0.999 -1.539 -1.186) 2.185 4.631 ( -3.090 -4.716 5.242) 7.699 4.749 ( -1.874 -1.304 -2.293) 3.236 4.867 ( 0.945 1.929 1.070) 2.400 4.881 ( 2.277 -1.841 -2.802) 4.053 4.954 ( -0.763 2.482 1.936) 3.239 5.151 ( 0.644 3.060 2.157) 3.799 5.182 ( 1.052 1.481 -0.957) 2.053 5.361 ( 0.155 -3.101 1.489) 3.444 5.446 ( -1.381 1.327 7.893) 8.122 5.484 ( 0.932 -0.637 1.984) 2.282 5.547 ( 3.335 4.691 -0.431) 5.772 5.718 ( -2.308 -1.796 -3.703) 4.719 5.865 ( -6.880 -0.484 0.113) 6.898 5.891 ( 1.985 -10.046 4.679) 11.258 6.144 ( 0.243 -0.092 -1.784) 1.803 6.208 ( -3.153 -3.457 -0.069) 4.679 6.287 ( -0.612 -0.660 0.089) 0.904 6.431 ( -0.049 -0.935 -0.525) 1.073 6.487 ( 1.274 2.328 -0.084) 2.655 12.763 ( -0.745 -1.298 1.656) 2.232 12.820 ( 0.523 0.947 0.967) 1.452 12.882 ( -0.168 -0.345 0.021) 0.385 12.951 ( -0.580 -1.031 0.381) 1.243 13.015 ( 0.782 1.421 0.327) 1.654 13.135 ( -0.738 -1.211 -1.059) 1.770 13.193 ( 0.947 0.175 -0.791) 1.246 13.196 ( -0.151 1.061 -0.346) 1.126 13.239 ( 0.274 0.544 -1.446) 1.569 13.389 ( 0.546 0.897 0.340) 1.104 13.428 ( -0.616 -0.990 -1.031) 1.556 13.447 ( -0.148 -0.294 -1.077) 1.126 17.283 ( -1.195 -1.221 -0.126) 1.713 17.354 ( 0.814 -0.254 -0.759) 1.141 17.410 ( -0.407 -0.793 -3.396) 3.511 17.446 ( -0.885 -0.491 -4.866) 4.970 17.634 ( 1.921 3.475 -0.167) 3.974 17.724 ( 0.955 1.273 -3.486) 3.832 17.845 ( -0.388 -0.209 -1.586) 1.646 17.869 ( -0.151 0.382 -0.753) 0.857 17.881 ( 0.042 -0.335 -0.732) 0.806 17.892 ( 0.867 0.999 -0.054) 1.324 17.929 ( -0.010 0.401 2.350) 2.384 17.970 ( 0.474 -1.253 2.211) 2.585 17.995 ( -0.490 -0.323 2.640) 2.705 18.005 ( -0.822 -0.152 3.861) 3.951 18.028 ( -0.531 -0.895 0.426) 1.124 18.142 ( 0.569 0.076 0.443) 0.725 18.193 ( -0.450 0.998 -0.503) 1.205 18.209 ( 0.544 -0.177 -2.022) 2.101 27.508 ( -0.501 -0.733 -0.325) 0.945 27.567 ( 0.541 -1.375 -0.461) 1.548 27.589 ( -1.459 0.199 -0.423) 1.532 27.701 ( 1.417 2.044 -4.008) 4.717 27.781 ( 2.400 4.006 -2.568) 5.329 28.072 ( -2.007 -3.430 -4.794) 6.227 28.328 ( -0.747 0.307 7.014) 7.061 28.354 ( 1.388 0.261 6.746) 6.892 28.567 ( -1.279 0.047 3.572) 3.794 28.630 ( 2.102 1.874 1.929) 3.414 29.366 ( -3.113 -5.424 5.077) 8.055 29.632 ( -2.660 -4.608 -0.934) 5.402 29.993 ( -1.019 -1.505 14.775) 14.887 30.394 ( -0.588 -1.232 4.791) 4.982 30.890 ( -4.080 -9.105 2.456) 10.275 31.243 ( 2.963 7.836 -2.956) 8.884 32.708 ( -0.607 -2.837 20.021) 20.230 33.046 ( -1.544 -1.577 6.565) 6.926 36.040 ( -0.315 -1.999 1.248) 2.377 36.098 ( -1.280 -0.417 0.242) 1.367 36.300 ( -2.202 -3.724 -0.984) 4.437 36.591 ( 4.765 7.725 -2.825) 9.506 37.037 ( 2.024 3.614 -13.827) 14.434 37.486 ( -0.665 -1.151 -8.084) 8.192 ======================= Grid point 52 (14/40) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.918 10.664 9.388) 14.237 1.094 ( 13.467 8.580 -7.586) 17.679 1.369 ( -6.590 -6.901 -4.178) 10.417 1.625 ( -3.029 -2.942 -5.303) 6.779 1.969 ( -3.187 4.825 4.247) 7.175 1.998 ( 9.687 6.275 17.079) 20.613 2.231 ( -1.127 -1.769 6.944) 7.254 2.334 ( 8.355 0.592 12.289) 14.872 2.440 ( -6.210 -0.037 13.839) 15.168 2.644 ( 1.293 2.466 -1.078) 2.986 2.714 ( 7.244 4.126 2.738) 8.775 2.852 ( -2.548 -3.622 1.470) 4.666 2.975 ( -3.753 -3.603 0.006) 5.202 3.564 ( -2.501 -4.357 4.956) 7.057 3.703 ( -2.516 3.746 -1.690) 4.819 3.769 ( -2.208 -0.784 2.021) 3.094 3.837 ( 3.718 -0.158 -5.719) 6.823 3.981 ( -2.657 1.640 -0.490) 3.160 4.053 ( -0.946 -1.285 4.635) 4.902 4.227 ( 1.590 -1.591 -0.481) 2.301 4.353 ( 1.897 2.094 -5.849) 6.496 4.394 ( 0.205 1.078 1.207) 1.632 4.446 ( 0.479 -1.210 -0.258) 1.327 4.532 ( -2.276 -1.412 -1.050) 2.877 4.705 ( 1.210 -4.818 -8.561) 9.898 4.843 ( -0.604 -0.447 -0.076) 0.755 4.921 ( -2.100 1.772 2.362) 3.623 4.991 ( 2.860 0.751 2.587) 3.929 5.184 ( 0.974 2.279 1.579) 2.939 5.230 ( 0.974 0.917 1.064) 1.709 5.338 ( -0.537 -3.352 -4.342) 5.511 5.430 ( 0.264 0.915 -0.726) 1.197 5.488 ( -0.924 3.648 5.344) 6.536 5.639 ( 2.603 0.847 6.641) 7.183 5.663 ( -4.092 -3.241 -5.124) 7.315 5.708 ( -5.578 5.530 1.444) 7.986 5.947 ( 6.828 -3.507 0.826) 7.720 6.093 ( -3.747 -4.801 0.395) 6.103 6.147 ( -0.012 -0.457 3.060) 3.094 6.245 ( 0.942 -4.290 3.864) 5.850 6.430 ( -0.475 0.786 -5.616) 5.691 6.534 ( -0.091 3.091 -1.856) 3.607 12.742 ( -0.139 -0.970 1.806) 2.055 12.836 ( -0.267 1.363 0.580) 1.505 12.880 ( 0.272 -0.446 -0.116) 0.535 12.933 ( -0.201 -0.714 0.648) 0.985 13.044 ( 0.431 1.524 0.797) 1.773 13.112 ( -0.092 -1.534 -0.508) 1.619 13.193 ( -0.999 1.447 -1.149) 2.101 13.221 ( 1.352 0.100 -0.764) 1.556 13.240 ( -0.265 -0.447 -1.328) 1.426 13.403 ( 0.212 -0.691 -0.925) 1.174 13.417 ( 0.276 0.642 -0.609) 0.927 13.438 ( -0.574 -0.207 -0.846) 1.044 17.264 ( -0.264 0.064 -0.383) 0.470 17.351 ( -1.368 1.109 -0.496) 1.829 17.404 ( 0.172 -0.624 -4.793) 4.836 17.427 ( 0.750 -1.859 -2.987) 3.597 17.697 ( 1.338 2.174 -1.362) 2.894 17.751 ( 0.398 0.647 -4.084) 4.154 17.836 ( -0.236 -0.148 -1.604) 1.628 17.856 ( -0.495 -0.332 -0.383) 0.708 17.884 ( -0.073 0.080 -0.576) 0.586 17.915 ( 0.275 0.953 0.590) 1.154 17.931 ( 0.392 0.092 1.355) 1.413 17.954 ( -1.076 -0.675 2.213) 2.552 17.989 ( 0.030 0.002 3.479) 3.479 17.999 ( 0.428 -0.963 3.354) 3.516 18.008 ( 0.024 -0.998 1.816) 2.072 18.150 ( -0.649 1.425 0.248) 1.585 18.192 ( -0.155 0.016 -0.372) 0.404 18.214 ( 0.704 -0.914 -1.022) 1.542 27.506 ( 0.527 0.147 -0.263) 0.607 27.543 ( -1.059 -1.376 -0.461) 1.797 27.585 ( 0.469 -0.051 -0.226) 0.523 27.729 ( -0.762 2.493 -3.178) 4.110 27.873 ( 3.542 2.243 -3.713) 5.600 27.991 ( -2.630 -3.266 -4.985) 6.514 28.309 ( -0.006 -1.236 10.397) 10.470 28.391 ( -0.129 2.878 7.052) 7.617 28.534 ( -0.198 -2.104 3.926) 4.459 28.674 ( 0.647 0.841 2.190) 2.434 29.354 ( 1.627 2.509 -0.585) 3.047 29.522 ( -3.476 -4.044 -1.924) 5.669 29.988 ( 0.510 -0.001 7.832) 7.848 30.366 ( -3.454 3.532 7.679) 9.131 30.767 ( 4.986 -15.167 3.689) 16.386 31.344 ( -2.772 10.833 -3.225) 11.638 32.713 ( -2.161 4.767 12.656) 13.695 33.006 ( 2.143 -5.680 7.582) 9.713 36.031 ( 0.112 -0.320 2.032) 2.060 36.056 ( -2.808 1.780 0.239) 3.333 36.260 ( 4.205 -8.534 -1.034) 9.570 36.718 ( -2.568 11.552 -4.198) 12.557 37.062 ( 1.895 -3.588 -7.832) 8.820 37.466 ( -0.345 -0.508 -9.240) 9.260 ======================= Grid point 53 (15/40) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -8.920 5.924 6.563) 12.559 1.101 ( -13.580 -7.556 -3.463) 15.921 1.376 ( 10.566 2.352 -5.115) 11.972 1.590 ( -0.003 1.687 -4.801) 5.089 1.940 ( -3.972 0.821 8.374) 9.305 2.125 ( -3.491 -0.139 11.583) 12.098 2.163 ( -2.828 -2.422 6.834) 7.783 2.296 ( -1.866 -3.029 13.673) 14.129 2.475 ( 3.133 2.910 13.991) 14.630 2.626 ( -5.521 0.532 -3.828) 6.739 2.707 ( -4.007 -3.908 4.557) 7.217 2.889 ( 1.486 -1.621 2.753) 3.524 2.957 ( 6.886 2.643 -1.191) 7.471 3.563 ( 4.721 0.064 4.447) 6.486 3.709 ( -2.008 5.042 -1.770) 5.709 3.753 ( 0.860 0.017 1.992) 2.170 3.844 ( -0.903 -2.648 -7.821) 8.307 4.008 ( 2.182 4.902 9.038) 10.511 4.032 ( -0.064 -1.757 -2.059) 2.708 4.209 ( -0.935 -1.740 -2.538) 3.216 4.376 ( -1.571 -1.879 6.370) 6.825 4.404 ( 1.217 1.038 -5.008) 5.257 4.420 ( -2.475 -0.413 -7.473) 7.883 4.534 ( 3.218 0.841 1.319) 3.578 4.716 ( 4.345 -3.862 -7.302) 9.334 4.843 ( 0.982 0.112 -0.864) 1.313 4.897 ( -2.983 3.038 2.104) 4.749 5.009 ( -0.523 -1.864 3.031) 3.597 5.209 ( -1.615 -0.195 1.808) 2.432 5.226 ( -1.496 -0.814 -0.863) 1.909 5.298 ( 1.169 0.793 -3.290) 3.581 5.445 ( -0.193 -0.515 0.045) 0.552 5.506 ( -1.717 1.300 11.456) 11.657 5.594 ( -1.303 2.134 -1.880) 3.128 5.685 ( 2.916 -0.384 -2.753) 4.028 5.727 ( -0.562 7.467 -1.427) 7.623 5.930 ( -1.114 -7.846 3.691) 8.742 6.096 ( 5.257 0.966 0.260) 5.352 6.141 ( 1.049 -0.627 3.269) 3.490 6.258 ( 3.909 -3.268 4.086) 6.531 6.426 ( -0.900 1.087 -6.074) 6.236 6.534 ( -2.631 1.617 -1.922) 3.637 12.741 ( 0.907 -0.364 1.807) 2.054 12.836 ( -1.033 0.915 0.604) 1.506 12.879 ( 0.227 -0.456 -0.149) 0.531 12.933 ( 0.710 -0.181 0.639) 0.972 13.044 ( -1.508 0.375 0.820) 1.757 13.112 ( 1.395 -0.693 -0.486) 1.631 13.192 ( -0.853 1.526 -0.997) 2.012 13.222 ( -0.724 -1.039 -1.256) 1.784 13.240 ( 0.560 -0.004 -1.007) 1.152 13.401 ( 0.312 -0.413 -1.014) 1.139 13.419 ( -0.521 -0.095 -0.470) 0.708 13.437 ( 0.468 0.457 -0.907) 1.118 17.268 ( 0.383 0.137 -0.414) 0.581 17.344 ( -0.785 1.763 -0.411) 1.973 17.401 ( 0.406 -0.471 -5.124) 5.161 17.434 ( 1.521 -1.477 -2.693) 3.428 17.701 ( -2.452 -0.205 -1.161) 2.720 17.746 ( -0.953 0.163 -4.377) 4.482 17.836 ( 0.492 0.063 -1.411) 1.496 17.864 ( 1.009 0.110 -0.743) 1.257 17.877 ( -0.530 0.272 -0.446) 0.744 17.915 ( -1.186 0.165 0.906) 1.502 17.934 ( 0.042 -0.464 1.338) 1.416 17.946 ( 0.508 0.777 2.289) 2.471 17.985 ( 0.065 -0.137 3.340) 3.343 18.004 ( 0.930 -0.114 2.189) 2.382 18.012 ( 0.933 -1.133 2.878) 3.231 18.147 ( -1.185 1.295 0.153) 1.761 18.197 ( 0.467 0.419 -0.500) 0.802 18.212 ( 0.201 -1.308 -0.826) 1.560 27.508 ( -0.396 -0.527 -0.349) 0.746 27.536 ( 1.217 0.468 -0.251) 1.327 27.591 ( 0.501 -0.608 -0.321) 0.850 27.728 ( -1.883 1.976 -3.396) 4.357 27.871 ( -3.759 -1.894 -3.456) 5.446 27.992 ( 4.130 0.597 -5.067) 6.565 28.311 ( 1.459 -0.790 10.864) 10.990 28.384 ( -3.009 1.767 6.067) 6.999 28.543 ( 2.639 -1.085 5.012) 5.767 28.668 ( -1.601 0.037 1.618) 2.277 29.353 ( -2.989 -0.129 -0.609) 3.053 29.523 ( 5.239 0.963 -1.926) 5.664 29.989 ( -0.145 -0.488 7.901) 7.917 30.364 ( -1.451 4.818 7.693) 9.192 30.762 ( 9.947 -11.517 3.747) 15.672 31.354 ( -6.969 7.306 -3.474) 10.678 32.701 ( -3.720 4.301 12.864) 14.065 33.014 ( 4.201 -4.628 7.528) 9.785 36.019 ( -0.436 0.639 1.379) 1.581 36.070 ( 0.599 2.522 1.014) 2.783 36.260 ( 5.368 -8.089 -1.190) 9.781 36.716 ( -8.904 8.074 -4.167) 12.722 37.062 ( 2.192 -3.429 -7.829) 8.824 37.466 ( 0.613 0.045 -9.240) 9.261 ======================= Grid point 58 (16/40) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.000 -0.000 7.502) 7.502 1.222 ( -2.444 -4.888 -6.624) 8.588 1.222 ( 2.444 4.888 -6.624) 8.588 1.585 ( -0.000 -0.000 -5.153) 5.153 2.046 ( -2.211 -4.423 5.504) 7.399 2.046 ( 2.211 4.423 5.504) 7.399 2.227 ( -0.000 -0.000 10.127) 10.127 2.379 ( -2.510 -5.021 16.335) 17.273 2.379 ( 2.510 5.021 16.335) 17.273 2.623 ( -0.000 -0.000 0.875) 0.875 2.849 ( 0.000 0.000 4.756) 4.756 2.852 ( -2.704 -5.409 -0.573) 6.074 2.852 ( 2.704 5.409 -0.573) 6.074 3.520 ( -0.000 -0.000 3.845) 3.845 3.755 ( -0.522 -1.044 2.574) 2.827 3.755 ( 0.522 1.044 2.574) 2.827 3.836 ( -0.000 -0.000 -9.599) 9.599 4.022 ( -0.294 -0.588 3.733) 3.790 4.022 ( 0.294 0.588 3.733) 3.790 4.192 ( -0.000 -0.000 2.133) 2.133 4.372 ( 0.000 -0.000 6.338) 6.338 4.420 ( -0.804 -1.608 -2.670) 3.219 4.420 ( 0.804 1.608 -2.670) 3.219 4.587 ( -2.664 -5.327 -11.897) 13.305 4.587 ( 2.664 5.327 -11.897) 13.305 4.836 ( -0.000 -0.000 -0.702) 0.702 4.969 ( -1.161 -2.321 3.288) 4.189 4.969 ( 1.161 2.321 3.288) 4.189 5.219 ( -0.000 -0.000 3.013) 3.013 5.255 ( -1.230 -2.460 -1.274) 3.031 5.255 ( 1.230 2.460 -1.274) 3.031 5.520 ( -1.659 -3.319 -2.205) 4.316 5.520 ( 1.659 3.319 -2.205) 4.316 5.631 ( -0.386 -0.772 8.259) 8.304 5.631 ( 0.386 0.772 8.259) 8.304 5.748 ( 0.000 -0.000 -11.012) 11.012 5.969 ( -2.606 -5.213 0.727) 5.873 5.969 ( 2.606 5.213 0.727) 5.873 6.169 ( -1.298 -2.596 6.232) 6.875 6.169 ( 1.298 2.596 6.232) 6.875 6.441 ( -0.000 -0.000 -6.774) 6.774 6.570 ( -0.000 -0.000 -2.301) 2.301 12.730 ( -0.000 -0.000 1.818) 1.818 12.864 ( -0.494 -0.988 0.202) 1.123 12.864 ( 0.494 0.988 0.202) 1.123 12.924 ( -0.000 -0.000 0.639) 0.639 13.078 ( -0.740 -1.481 0.457) 1.717 13.078 ( 0.740 1.481 0.457) 1.717 13.219 ( -0.000 -0.000 -1.713) 1.713 13.224 ( -0.305 -0.611 -0.996) 1.208 13.224 ( 0.305 0.611 -0.996) 1.208 13.393 ( -0.000 -0.000 -1.188) 1.188 13.431 ( -0.223 -0.447 -0.698) 0.859 13.431 ( 0.223 0.447 -0.698) 0.859 17.268 ( -0.000 -0.000 -0.529) 0.529 17.384 ( -0.922 -1.844 -1.315) 2.446 17.384 ( 0.922 1.844 -1.315) 2.446 17.396 ( 0.000 -0.000 -5.166) 5.166 17.740 ( -0.703 -1.406 -2.940) 3.334 17.740 ( 0.703 1.406 -2.940) 3.334 17.844 ( -0.384 -0.768 -1.341) 1.592 17.844 ( 0.384 0.768 -1.341) 1.592 17.884 ( -0.000 -0.000 -0.581) 0.581 17.934 ( -0.000 -0.000 3.212) 3.212 17.936 ( -0.173 -0.347 0.685) 0.787 17.936 ( 0.173 0.347 0.685) 0.787 17.987 ( -0.153 -0.306 3.558) 3.575 17.987 ( 0.153 0.306 3.558) 3.575 17.996 ( -0.000 -0.000 1.928) 1.928 18.183 ( -0.665 -1.329 -0.222) 1.502 18.183 ( 0.665 1.329 -0.222) 1.502 18.196 ( -0.000 0.000 -0.284) 0.284 27.517 ( -0.399 -0.798 -0.385) 0.971 27.517 ( 0.399 0.798 -0.385) 0.971 27.584 ( -0.000 -0.000 0.122) 0.122 27.762 ( -0.000 -0.000 -3.377) 3.377 27.924 ( -1.308 -2.616 -4.428) 5.307 27.924 ( 1.308 2.616 -4.428) 5.307 28.293 ( -0.000 -0.000 11.307) 11.307 28.466 ( -1.792 -3.585 6.236) 7.413 28.466 ( 1.792 3.585 6.236) 7.413 28.686 ( -0.000 -0.000 0.403) 0.403 29.432 ( -1.993 -3.986 -1.775) 4.797 29.432 ( 1.993 3.986 -1.775) 4.797 29.988 ( -0.000 -0.000 5.084) 5.084 30.504 ( -4.364 -8.728 6.941) 11.975 30.504 ( 4.364 8.728 6.941) 11.975 31.462 ( -0.000 -0.000 -4.416) 4.416 32.854 ( -3.684 -7.367 9.644) 12.682 32.854 ( 3.684 7.367 9.644) 12.682 36.033 ( -0.000 -0.000 2.250) 2.250 36.119 ( -2.098 -4.196 -0.216) 4.696 36.119 ( 2.098 4.196 -0.216) 4.696 36.932 ( -3.849 -7.698 -5.673) 10.308 36.932 ( 3.849 7.698 -5.673) 10.308 37.461 ( 0.000 -0.000 -9.535) 9.535 ======================= Grid point 86 (17/40) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.000 0.000 22.225) 22.225 1.037 ( -0.000 -0.000 22.225) 22.225 1.531 ( 0.000 0.000 -1.015) 1.015 1.531 ( 0.000 0.000 -1.015) 1.015 1.941 ( 0.000 0.000 44.960) 44.960 2.264 ( -0.000 -0.000 6.451) 6.451 2.264 ( 0.000 0.000 6.451) 6.451 2.290 ( 0.000 -0.000 3.247) 3.247 2.290 ( -0.000 0.000 3.247) 3.247 2.299 ( 0.000 0.000 -0.028) 0.028 2.804 ( 0.000 0.000 18.822) 18.822 3.031 ( 0.000 0.000 -2.811) 2.811 3.031 ( 0.000 -0.000 -2.811) 2.811 3.503 ( 0.000 0.000 -3.863) 3.863 3.503 ( -0.000 0.000 -3.863) 3.863 3.682 ( 0.000 0.000 -16.664) 16.664 4.037 ( 0.000 0.000 2.621) 2.621 4.063 ( 0.000 0.000 -5.093) 5.093 4.063 ( 0.000 0.000 -5.093) 5.093 4.228 ( 0.000 0.000 4.773) 4.773 4.228 ( -0.000 0.000 4.773) 4.773 4.642 ( -0.000 0.000 10.426) 10.426 4.718 ( 0.000 0.000 3.084) 3.084 4.718 ( 0.000 0.000 3.084) 3.084 4.749 ( 0.000 0.000 -10.411) 10.411 4.749 ( 0.000 0.000 -10.411) 10.411 4.861 ( 0.000 0.000 -3.345) 3.345 5.022 ( -0.000 -0.000 6.455) 6.455 5.135 ( 0.000 0.000 0.394) 0.394 5.135 ( 0.000 0.000 0.394) 0.394 5.300 ( 0.000 0.000 2.266) 2.266 5.524 ( 0.000 -0.000 5.085) 5.085 5.648 ( 0.000 0.000 12.603) 12.603 5.648 ( 0.000 0.000 12.603) 12.603 5.844 ( 0.000 0.000 0.372) 0.372 5.867 ( 0.000 0.000 -11.037) 11.037 5.867 ( -0.000 0.000 -11.037) 11.037 6.000 ( -0.000 0.000 -6.302) 6.302 6.035 ( 0.000 0.000 -8.089) 8.089 6.478 ( -0.000 0.000 -3.390) 3.390 6.535 ( 0.000 0.000 0.507) 0.507 6.535 ( -0.000 0.000 0.507) 0.507 12.833 ( 0.000 0.000 2.041) 2.041 12.833 ( 0.000 -0.000 2.041) 2.041 12.906 ( 0.000 0.000 -0.531) 0.531 12.970 ( -0.000 0.000 -0.578) 0.578 12.970 ( 0.000 0.000 -0.578) 0.578 13.102 ( -0.000 0.000 -4.712) 4.712 13.184 ( 0.000 0.000 0.289) 0.289 13.184 ( 0.000 0.000 0.289) 0.289 13.212 ( 0.000 0.000 2.247) 2.247 13.392 ( 0.000 0.000 0.539) 0.539 13.415 ( 0.000 0.000 -2.451) 2.451 13.415 ( -0.000 0.000 -2.451) 2.451 17.347 ( 0.000 -0.000 -0.360) 0.360 17.347 ( 0.000 0.000 -0.360) 0.360 17.397 ( 0.000 0.000 -1.675) 1.675 17.397 ( 0.000 0.000 -1.675) 1.675 17.553 ( -0.000 0.000 1.845) 1.845 17.693 ( 0.000 0.000 1.946) 1.946 17.824 ( -0.000 -0.000 -1.252) 1.252 17.824 ( 0.000 0.000 -1.252) 1.252 17.848 ( 0.000 0.000 -0.652) 0.652 17.848 ( 0.000 0.000 -0.652) 0.652 17.865 ( 0.000 0.000 -1.566) 1.566 18.026 ( 0.000 0.000 -1.438) 1.438 18.054 ( -0.000 0.000 1.390) 1.390 18.056 ( 0.000 0.000 2.341) 2.341 18.056 ( 0.000 0.000 2.341) 2.341 18.148 ( 0.000 -0.000 0.379) 0.379 18.169 ( -0.000 -0.000 -0.389) 0.389 18.169 ( -0.000 -0.000 -0.389) 0.389 27.556 ( 0.000 0.000 -0.638) 0.638 27.556 ( 0.000 0.000 -0.638) 0.638 27.603 ( 0.000 0.000 -0.483) 0.483 27.603 ( 0.000 -0.000 -0.483) 0.483 27.620 ( -0.000 0.000 -0.499) 0.499 28.067 ( -0.000 0.000 -5.909) 5.909 28.394 ( 0.000 -0.000 4.930) 4.930 28.394 ( -0.000 0.000 4.930) 4.930 28.622 ( 0.000 0.000 2.612) 2.612 28.622 ( 0.000 -0.000 2.612) 2.612 29.666 ( 0.000 -0.000 -2.163) 2.163 29.730 ( 0.000 -0.000 -1.115) 1.115 30.516 ( 0.000 0.000 4.660) 4.660 30.516 ( 0.000 0.000 4.660) 4.660 31.008 ( -0.000 0.000 -3.592) 3.592 31.008 ( -0.000 -0.000 -3.592) 3.592 33.234 ( 0.000 0.000 9.638) 9.638 33.621 ( 0.000 -0.000 3.718) 3.718 36.129 ( -0.000 0.000 0.430) 0.430 36.129 ( 0.000 0.000 0.430) 0.430 36.358 ( -0.000 0.000 1.226) 1.226 36.359 ( 0.000 0.000 -2.939) 2.939 36.359 ( 0.000 0.000 -2.939) 2.939 37.332 ( 0.000 -0.000 -11.646) 11.646 ======================= Grid point 87 (18/40) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -6.674 -3.126 21.327) 22.564 1.037 ( 1.463 -0.213 19.593) 19.648 1.558 ( 0.258 -0.005 0.356) 0.440 1.586 ( 2.513 2.385 0.411) 3.489 2.063 ( 6.164 3.063 24.844) 25.779 2.182 ( -1.073 -4.575 10.212) 11.241 2.235 ( -0.658 3.903 6.248) 7.396 2.330 ( 2.702 2.639 2.590) 4.580 2.399 ( 6.689 2.195 5.489) 8.927 2.433 ( 8.614 5.281 7.601) 12.644 2.855 ( 3.614 2.136 19.357) 19.806 3.004 ( -2.007 -1.039 -1.780) 2.876 3.064 ( 1.862 0.857 -1.795) 2.725 3.520 ( 1.058 0.914 -4.521) 4.733 3.565 ( 4.974 2.521 -4.143) 6.947 3.686 ( 0.287 0.272 -14.083) 14.089 3.948 ( -3.186 -1.711 -0.208) 3.622 4.000 ( -4.008 -2.233 -2.290) 5.128 4.079 ( -2.533 -2.234 1.357) 3.640 4.193 ( -3.430 -1.019 1.802) 4.006 4.276 ( 4.889 2.544 0.108) 5.513 4.578 ( -4.198 -2.709 6.661) 8.326 4.614 ( -7.961 -4.337 3.621) 9.762 4.695 ( -1.834 -2.277 -7.761) 8.294 4.765 ( 1.025 2.410 -0.087) 2.620 4.782 ( 3.506 1.410 -5.133) 6.374 4.907 ( -4.815 -2.831 3.350) 6.513 4.931 ( 1.147 0.786 0.384) 1.443 5.120 ( 0.121 0.106 -1.351) 1.360 5.164 ( 2.030 0.947 1.308) 2.593 5.404 ( 4.502 2.418 0.630) 5.149 5.516 ( -6.717 -2.247 4.041) 8.155 5.545 ( -1.269 -1.064 4.899) 5.172 5.620 ( -0.172 -3.937 6.461) 7.568 5.712 ( -6.765 -0.978 -1.011) 6.910 5.807 ( -2.116 -0.181 -5.111) 5.535 5.971 ( 4.970 1.162 -6.897) 8.580 6.078 ( 2.653 1.823 -1.458) 3.534 6.132 ( 6.554 3.966 -6.454) 10.017 6.370 ( -7.586 -4.425 1.648) 8.936 6.501 ( -2.634 -1.492 0.153) 3.031 6.513 ( -1.657 -0.927 0.890) 2.097 12.825 ( -0.645 -0.352 2.331) 2.444 12.837 ( 0.199 0.087 1.741) 1.755 12.890 ( -0.904 -0.515 -0.432) 1.126 12.967 ( -0.291 -0.149 -0.172) 0.370 12.992 ( 1.566 0.888 -0.069) 1.801 13.098 ( -0.138 -0.085 -3.708) 3.711 13.179 ( -0.393 -0.365 0.130) 0.552 13.197 ( 0.602 0.683 -0.477) 1.027 13.210 ( 0.157 -0.107 1.645) 1.656 13.390 ( -0.173 -0.059 0.127) 0.223 13.408 ( -0.445 -0.342 -2.321) 2.388 13.415 ( -0.030 0.030 -2.273) 2.274 17.313 ( -2.133 -1.218 -0.180) 2.463 17.341 ( -0.407 -0.618 -0.405) 0.843 17.364 ( -2.081 -0.535 -1.947) 2.900 17.397 ( 0.110 -0.238 -1.871) 1.889 17.591 ( 2.577 1.455 1.275) 3.222 17.673 ( -0.782 -0.388 -0.296) 0.922 17.824 ( 0.204 -0.327 -1.197) 1.258 17.831 ( 0.406 0.628 -0.990) 1.240 17.862 ( 0.543 0.329 -0.963) 1.153 17.866 ( 0.733 0.423 -1.202) 1.470 17.937 ( 4.304 2.463 0.591) 4.994 18.009 ( -1.569 -0.820 -0.452) 1.827 18.041 ( -0.537 -0.362 1.041) 1.226 18.053 ( -0.025 -0.285 2.018) 2.038 18.055 ( 0.233 0.444 1.538) 1.618 18.148 ( -0.456 -0.698 0.255) 0.872 18.171 ( -0.272 1.092 -0.633) 1.291 18.179 ( 1.281 -0.117 -0.012) 1.286 27.525 ( -1.395 -0.821 0.057) 1.619 27.561 ( 0.263 0.338 -0.423) 0.602 27.593 ( -0.581 -0.832 -0.477) 1.121 27.619 ( 0.953 0.946 -0.959) 1.650 27.672 ( 3.207 1.781 -1.568) 3.989 28.026 ( -2.899 -1.674 -5.523) 6.459 28.411 ( 1.355 0.701 5.167) 5.387 28.457 ( 4.091 2.521 5.406) 7.233 28.618 ( -0.153 -0.532 2.632) 2.690 28.646 ( 1.877 1.450 2.522) 3.462 29.565 ( -7.645 -4.428 -0.387) 8.844 29.682 ( -3.868 -2.207 -1.571) 4.722 30.383 ( -7.850 -4.627 9.569) 13.213 30.506 ( -0.821 -0.406 5.110) 5.192 31.012 ( -0.130 1.040 -3.324) 3.486 31.045 ( 2.304 0.210 -3.595) 4.275 33.231 ( -1.008 -0.442 10.199) 10.259 33.354 ( -14.294 -8.373 16.241) 23.199 36.100 ( -2.405 -0.251 0.853) 2.564 36.118 ( 0.012 -1.301 1.491) 1.979 36.369 ( 0.055 1.524 -3.140) 3.491 36.379 ( 2.043 -0.112 -0.468) 2.099 36.576 ( 12.640 7.266 -10.969) 18.245 37.312 ( -1.659 -0.958 -11.813) 11.968 ======================= Grid point 88 (19/40) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.322 1.654 8.664) 8.826 1.118 ( 7.251 0.916 15.333) 16.985 1.495 ( -5.293 -3.955 2.385) 7.025 1.608 ( -3.186 2.965 2.468) 5.004 2.041 ( -2.354 -2.446 7.268) 8.022 2.226 ( 4.147 -2.286 4.816) 6.754 2.303 ( 3.806 2.619 7.846) 9.105 2.480 ( 4.318 7.059 2.014) 8.517 2.550 ( 6.008 4.814 7.545) 10.779 2.653 ( 8.923 2.538 15.435) 18.008 2.945 ( 1.131 2.341 14.115) 14.353 2.961 ( 0.764 -0.458 6.683) 6.742 3.075 ( -0.466 -1.524 6.596) 6.786 3.544 ( 0.437 0.681 -5.204) 5.266 3.659 ( 1.006 -1.239 -5.483) 5.711 3.738 ( 4.528 5.616 -2.141) 7.525 3.878 ( -2.283 -1.749 2.179) 3.608 3.945 ( -0.021 -3.302 -3.805) 5.038 3.994 ( -4.207 1.210 -3.098) 5.363 4.119 ( -0.327 -2.252 0.406) 2.312 4.369 ( -2.014 0.890 -1.980) 2.961 4.392 ( -8.612 -2.850 -0.793) 9.106 4.520 ( 2.660 -1.349 6.574) 7.219 4.656 ( 1.621 -4.506 -6.742) 8.270 4.750 ( -4.601 -3.210 6.366) 8.485 4.766 ( -5.175 3.504 -5.570) 8.372 4.900 ( 4.157 3.206 -2.200) 5.692 4.957 ( 0.572 -0.944 2.490) 2.724 5.152 ( 1.903 2.260 -3.905) 4.897 5.207 ( 1.770 -0.253 0.801) 1.959 5.344 ( -6.282 -2.522 0.041) 6.770 5.409 ( -2.006 -4.242 -1.940) 5.078 5.503 ( -2.497 -2.057 -2.431) 4.047 5.598 ( -2.445 -1.164 -1.587) 3.139 5.665 ( 2.462 2.563 4.758) 5.939 5.827 ( 1.179 5.285 4.013) 6.740 6.062 ( 6.135 -3.297 -3.650) 7.864 6.137 ( 0.789 1.939 1.525) 2.590 6.177 ( -7.572 -2.786 5.074) 9.531 6.258 ( 3.309 1.405 -4.612) 5.848 6.425 ( -3.346 -0.936 -0.298) 3.487 6.467 ( -1.826 -1.425 0.494) 2.368 12.809 ( -0.618 -0.309 2.876) 2.957 12.838 ( -0.026 -0.131 1.128) 1.136 12.876 ( -0.251 -0.083 -0.550) 0.611 12.959 ( -0.310 -0.115 0.611) 0.695 13.037 ( 1.996 1.115 0.819) 2.428 13.098 ( 0.032 -0.027 -2.128) 2.129 13.163 ( -0.646 -0.629 -0.447) 1.006 13.204 ( -0.394 0.748 -0.868) 1.211 13.222 ( 0.795 -0.273 0.068) 0.844 13.385 ( -0.603 0.344 -1.649) 1.789 13.397 ( 0.183 -0.850 -1.307) 1.570 13.412 ( -0.397 0.071 -1.830) 1.874 17.268 ( -1.333 -0.909 -0.365) 1.654 17.316 ( -0.856 -0.956 -2.866) 3.141 17.341 ( -0.854 0.580 -0.230) 1.058 17.396 ( 0.159 -0.391 -2.237) 2.277 17.648 ( 1.701 0.325 -0.848) 1.928 17.671 ( 0.562 1.102 -1.007) 1.595 17.822 ( -0.011 -0.417 -0.907) 0.998 17.846 ( 0.398 0.290 -0.492) 0.696 17.864 ( -0.038 0.181 -1.036) 1.052 17.897 ( 1.331 0.711 -0.419) 1.566 17.968 ( -0.830 -1.286 0.219) 1.547 17.983 ( -0.638 0.598 1.090) 1.398 18.035 ( -0.053 -0.007 0.776) 0.778 18.050 ( -0.282 0.022 2.208) 2.226 18.088 ( 1.601 0.653 2.583) 3.109 18.130 ( -0.226 -0.412 -0.261) 0.537 18.177 ( -0.083 0.929 -1.284) 1.587 18.198 ( 0.715 -0.286 -0.065) 0.772 27.507 ( -0.066 -0.066 0.350) 0.362 27.556 ( -1.367 -0.121 0.092) 1.376 27.581 ( 0.621 -0.652 -0.452) 1.007 27.646 ( 0.711 0.875 -1.367) 1.772 27.755 ( 3.662 2.011 -2.929) 5.103 27.945 ( -3.628 -2.093 -5.115) 6.611 28.452 ( 2.189 0.758 5.824) 6.268 28.534 ( 0.355 2.407 7.229) 7.627 28.615 ( 1.691 -1.877 3.629) 4.422 28.716 ( 2.655 2.707 2.627) 4.613 29.382 ( -5.437 -3.121 1.124) 6.369 29.556 ( -6.133 -3.498 -2.434) 7.468 30.237 ( -3.687 -2.419 11.234) 12.068 30.483 ( -1.002 -0.367 6.409) 6.497 31.027 ( -1.063 3.690 -3.034) 4.894 31.072 ( 2.389 -3.054 -2.756) 4.758 33.062 ( -6.920 -3.321 19.802) 21.237 33.259 ( 0.540 -0.216 10.950) 10.966 36.053 ( -2.104 -0.138 1.333) 2.495 36.108 ( 0.322 -1.296 3.454) 3.703 36.386 ( 0.153 1.018 -3.443) 3.594 36.415 ( 1.499 0.382 -3.190) 3.545 36.823 ( 7.297 4.163 -12.738) 15.259 37.260 ( -2.370 -1.368 -12.679) 12.971 ======================= Grid point 89 (20/40) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.000 0.000 -0.597) 0.597 1.291 ( 0.000 0.000 13.015) 13.015 1.319 ( -0.000 0.000 4.277) 4.277 1.582 ( 0.000 0.000 3.705) 3.705 2.007 ( 0.000 0.000 6.939) 6.939 2.246 ( 0.000 0.000 -0.251) 0.251 2.372 ( 0.000 0.000 8.883) 8.883 2.548 ( 0.000 0.000 -1.370) 1.370 2.658 ( 0.000 -0.000 9.810) 9.810 2.745 ( 0.000 0.000 11.126) 11.126 2.934 ( 0.000 0.000 1.311) 1.311 3.024 ( 0.000 0.000 17.965) 17.965 3.037 ( 0.000 0.000 18.574) 18.574 3.551 ( 0.000 0.000 -5.378) 5.378 3.650 ( 0.000 0.000 1.285) 1.285 3.850 ( 0.000 -0.000 2.885) 2.885 3.851 ( 0.000 0.000 1.887) 1.887 3.893 ( 0.000 0.000 -3.164) 3.164 3.966 ( 0.000 0.000 -7.279) 7.279 4.180 ( 0.000 0.000 -4.012) 4.012 4.197 ( -0.000 -0.000 -0.949) 0.949 4.355 ( 0.000 0.000 -4.713) 4.713 4.582 ( -0.000 0.000 5.967) 5.967 4.664 ( 0.000 0.000 8.027) 8.027 4.670 ( -0.000 0.000 -6.284) 6.284 4.709 ( 0.000 -0.000 -8.410) 8.410 4.949 ( 0.000 0.000 4.584) 4.584 4.973 ( 0.000 -0.000 -3.758) 3.758 5.208 ( 0.000 -0.000 -5.614) 5.614 5.209 ( 0.000 0.000 -2.076) 2.076 5.266 ( 0.000 0.000 0.179) 0.179 5.344 ( 0.000 -0.000 -0.533) 0.533 5.467 ( 0.000 0.000 -3.753) 3.753 5.563 ( -0.000 0.000 -1.017) 1.017 5.712 ( 0.000 0.000 3.186) 3.186 5.912 ( 0.000 0.000 12.287) 12.287 6.022 ( -0.000 -0.000 -2.936) 2.936 6.132 ( 0.000 0.000 3.337) 3.337 6.172 ( 0.000 0.000 -0.015) 0.015 6.269 ( 0.000 0.000 -4.745) 4.745 6.406 ( 0.000 0.000 5.605) 5.605 6.430 ( 0.000 -0.000 -5.708) 5.708 12.801 ( 0.000 0.000 3.137) 3.137 12.836 ( 0.000 0.000 0.852) 0.852 12.875 ( 0.000 0.000 -0.735) 0.735 12.955 ( 0.000 0.000 0.993) 0.993 13.070 ( 0.000 -0.000 1.804) 1.804 13.094 ( 0.000 0.000 -1.408) 1.408 13.151 ( 0.000 0.000 -1.161) 1.161 13.203 ( 0.000 0.000 -1.855) 1.855 13.227 ( 0.000 0.000 0.079) 0.079 13.380 ( 0.000 0.000 -2.138) 2.138 13.398 ( 0.000 0.000 -1.846) 1.846 13.406 ( 0.000 0.000 -1.022) 1.022 17.251 ( 0.000 0.000 -0.491) 0.491 17.303 ( 0.000 0.000 -3.548) 3.548 17.337 ( 0.000 0.000 0.231) 0.231 17.395 ( 0.000 0.000 -2.414) 2.414 17.659 ( 0.000 0.000 -2.894) 2.894 17.693 ( 0.000 0.000 -0.349) 0.349 17.819 ( 0.000 0.000 -0.544) 0.544 17.847 ( 0.000 0.000 -0.283) 0.283 17.868 ( 0.000 0.000 -0.614) 0.614 17.914 ( 0.000 0.000 -0.480) 0.480 17.957 ( -0.000 0.000 -0.053) 0.053 17.973 ( 0.000 0.000 1.150) 1.150 18.039 ( 0.000 0.000 1.883) 1.883 18.041 ( 0.000 0.000 1.389) 1.389 18.103 ( 0.000 0.000 3.079) 3.079 18.129 ( 0.000 0.000 0.258) 0.258 18.188 ( 0.000 -0.000 -0.261) 0.261 18.199 ( 0.000 0.000 -1.468) 1.468 27.513 ( -0.000 0.000 0.155) 0.155 27.534 ( 0.000 0.000 0.413) 0.413 27.585 ( 0.000 0.000 -0.245) 0.245 27.658 ( 0.000 -0.000 -1.410) 1.410 27.828 ( 0.000 0.000 -3.730) 3.730 27.872 ( -0.000 0.000 -4.749) 4.749 28.486 ( 0.000 0.000 6.805) 6.805 28.534 ( -0.000 0.000 5.673) 5.673 28.629 ( 0.000 0.000 6.584) 6.584 28.757 ( 0.000 0.000 3.589) 3.589 29.338 ( 0.000 0.000 -0.865) 0.865 29.451 ( 0.000 0.000 -2.559) 2.559 30.193 ( 0.000 0.000 10.631) 10.631 30.471 ( 0.000 0.000 7.225) 7.225 31.040 ( 0.000 0.000 -3.155) 3.155 31.075 ( 0.000 -0.000 -2.234) 2.234 32.987 ( 0.000 0.000 19.104) 19.104 33.265 ( 0.000 0.000 10.818) 10.818 36.032 ( 0.000 0.000 1.546) 1.546 36.104 ( 0.000 0.000 4.327) 4.327 36.393 ( -0.000 0.000 -3.539) 3.539 36.432 ( 0.000 -0.000 -4.468) 4.468 36.915 ( 0.000 0.000 -11.082) 11.082 37.223 ( 0.000 0.000 -13.795) 13.795 ======================= Grid point 94 (21/40) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 1.811 0.148 14.064) 14.181 1.069 ( -0.494 4.471 15.137) 15.791 1.537 ( -4.264 -3.286 3.667) 6.513 1.601 ( 4.403 -2.118 -0.447) 4.906 2.084 ( -2.258 -3.492 5.643) 7.009 2.165 ( -1.964 5.478 11.201) 12.623 2.330 ( 2.746 3.676 7.358) 8.672 2.414 ( 6.118 4.208 1.489) 7.573 2.488 ( 5.682 8.123 11.810) 15.419 2.614 ( 3.754 9.659 11.593) 15.550 2.918 ( 1.979 2.283 17.678) 17.934 2.963 ( -1.031 -1.529 3.229) 3.719 3.086 ( -0.582 0.460 2.758) 2.856 3.558 ( 2.004 2.054 -6.256) 6.883 3.639 ( -0.238 3.796 -3.920) 5.462 3.696 ( 2.881 0.773 -6.312) 6.981 3.897 ( -2.607 -4.292 1.962) 5.391 3.961 ( -1.248 1.244 -2.686) 3.213 3.989 ( -0.205 -3.359 -2.289) 4.070 4.215 ( -2.838 -0.929 0.146) 2.989 4.300 ( 4.526 1.259 -3.039) 5.595 4.462 ( -4.855 -9.063 2.378) 10.553 4.506 ( -3.419 -2.836 5.952) 7.427 4.649 ( -4.611 -2.426 -5.167) 7.337 4.765 ( -1.082 -2.885 0.341) 3.100 4.798 ( 1.921 -2.507 -0.315) 3.174 4.875 ( 1.838 3.344 -0.340) 3.831 4.975 ( 1.137 2.808 0.799) 3.133 5.119 ( 0.609 0.343 -3.409) 3.479 5.207 ( 0.939 2.826 1.452) 3.313 5.382 ( -3.266 -7.035 -0.000) 7.756 5.458 ( -1.828 0.782 0.353) 2.020 5.520 ( -4.361 -4.285 0.151) 6.116 5.545 ( 0.648 -1.131 -3.269) 3.519 5.714 ( -0.086 0.831 5.456) 5.520 5.788 ( 5.625 -0.494 -2.438) 6.150 6.022 ( -3.019 3.313 -0.759) 4.546 6.129 ( 2.341 2.379 1.333) 3.594 6.224 ( 0.406 0.014 -2.759) 2.789 6.241 ( -1.822 -2.814 1.302) 3.597 6.446 ( -1.463 -3.430 0.064) 3.729 6.482 ( -1.111 -1.672 0.270) 2.025 12.809 ( -0.549 -1.006 2.722) 2.953 12.844 ( 0.185 0.481 1.211) 1.316 12.878 ( -0.252 -0.534 -0.429) 0.730 12.960 ( -0.206 -0.455 0.491) 0.701 13.024 ( 1.134 2.029 0.500) 2.378 13.098 ( 0.007 0.070 -2.438) 2.439 13.174 ( -0.538 -0.135 -0.717) 0.907 13.198 ( 0.773 -0.532 0.072) 0.941 13.219 ( -0.207 0.729 0.009) 0.758 13.385 ( -0.069 -0.830 -1.292) 1.537 13.398 ( -0.557 -0.078 -1.532) 1.632 13.416 ( 0.093 -0.064 -1.892) 1.895 17.279 ( -1.032 -1.595 -0.307) 1.924 17.324 ( -1.163 -0.833 -2.177) 2.605 17.347 ( 0.834 -1.000 -1.109) 1.710 17.392 ( -0.736 -0.185 -1.832) 1.983 17.637 ( 1.047 2.561 0.515) 2.815 17.667 ( 0.530 -0.015 -1.656) 1.739 17.817 ( -0.399 -0.143 -1.021) 1.105 17.851 ( 0.540 0.912 -0.724) 1.284 17.863 ( 0.023 -0.238 -1.143) 1.168 17.890 ( 0.927 1.648 -0.408) 1.935 17.963 ( -0.778 -0.746 0.633) 1.250 18.000 ( 0.490 -0.205 0.351) 0.637 18.037 ( -0.039 -0.242 0.837) 0.872 18.045 ( -0.260 -0.223 2.207) 2.234 18.068 ( 0.557 1.060 2.250) 2.549 18.146 ( -0.673 0.606 -0.812) 1.216 18.169 ( 1.313 -0.538 -0.426) 1.482 18.195 ( -0.255 0.783 -0.047) 0.825 27.506 ( -0.371 -0.612 0.327) 0.786 27.561 ( 0.160 -0.964 -0.069) 0.979 27.581 ( -0.871 0.284 -0.309) 0.967 27.649 ( 1.374 1.572 -1.545) 2.597 27.726 ( 1.664 3.117 -2.478) 4.316 27.968 ( -2.045 -3.541 -5.236) 6.643 28.447 ( 1.099 2.763 5.597) 6.338 28.511 ( 2.190 1.309 7.185) 7.625 28.631 ( -1.583 2.363 2.661) 3.895 28.679 ( 2.774 1.304 2.584) 4.009 29.421 ( -4.244 -7.346 1.220) 8.571 29.600 ( -3.097 -5.468 -2.264) 6.680 30.258 ( -3.484 -5.588 11.138) 12.939 30.509 ( 0.454 0.487 5.867) 5.905 30.919 ( -2.687 -5.834 -0.102) 6.424 31.157 ( 2.839 6.255 -5.526) 8.816 33.143 ( -3.666 -8.444 20.137) 22.141 33.225 ( -1.388 -0.515 10.592) 10.695 36.073 ( 0.626 -1.781 1.783) 2.597 36.115 ( -1.869 0.670 1.782) 2.667 36.280 ( -1.569 -3.730 -0.812) 4.128 36.518 ( 3.575 6.051 -4.034) 8.104 36.747 ( 4.352 7.664 -13.451) 16.081 37.275 ( -1.375 -2.382 -12.350) 12.653 ======================= Grid point 95 (22/40) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -0.605 7.342 0.563) 7.388 1.156 ( 7.330 3.081 10.685) 13.319 1.388 ( -5.451 -7.286 5.128) 10.445 1.608 ( -1.838 -1.382 4.249) 4.831 2.047 ( -0.642 1.142 3.866) 4.082 2.161 ( 1.812 -2.983 1.977) 4.012 2.387 ( -0.834 5.338 8.577) 10.137 2.591 ( 5.745 3.629 4.076) 7.924 2.655 ( 2.014 4.510 5.821) 7.634 2.719 ( 0.653 2.168 12.512) 12.715 2.908 ( 0.426 -2.784 3.066) 4.163 3.001 ( 2.592 1.584 22.247) 22.453 3.048 ( -2.240 -1.277 12.249) 12.518 3.591 ( -1.372 3.191 -6.418) 7.298 3.644 ( 0.291 -0.074 0.564) 0.639 3.794 ( 3.389 -1.294 1.461) 3.911 3.826 ( -0.007 -2.480 -0.613) 2.555 3.934 ( -0.417 4.118 -2.145) 4.662 4.071 ( -0.803 6.235 -8.978) 10.960 4.114 ( -0.721 0.132 -1.797) 1.941 4.269 ( -7.026 -5.631 -0.561) 9.021 4.405 ( -3.701 -3.464 -1.210) 5.212 4.445 ( 8.699 -1.210 -3.487) 9.449 4.569 ( 0.926 -3.013 0.601) 3.209 4.658 ( -3.193 -5.782 7.984) 10.362 4.811 ( -0.633 0.107 -3.749) 3.804 4.948 ( -0.572 2.626 -0.734) 2.786 5.012 ( 0.717 3.599 1.864) 4.116 5.171 ( 2.564 1.008 -5.633) 6.270 5.244 ( -0.239 2.960 1.132) 3.178 5.276 ( -2.195 -2.223 -1.898) 3.656 5.372 ( -3.456 -0.532 -0.768) 3.580 5.450 ( 0.565 -2.584 -7.414) 7.872 5.531 ( -0.861 -3.891 -3.464) 5.280 5.748 ( 0.839 4.287 5.568) 7.077 5.921 ( 6.815 -3.707 -1.015) 7.824 5.947 ( -4.201 0.542 10.246) 11.087 6.099 ( -0.980 -3.550 0.345) 3.699 6.223 ( -0.296 3.991 4.230) 5.822 6.265 ( 0.358 0.084 -5.549) 5.561 6.395 ( -0.643 -3.196 4.739) 5.752 6.458 ( -0.948 1.367 -5.490) 5.737 12.792 ( -0.036 -0.898 3.062) 3.191 12.849 ( -0.351 0.866 0.617) 1.120 12.873 ( 0.083 -0.269 -0.548) 0.616 12.952 ( -0.031 -0.446 1.182) 1.264 13.067 ( 1.092 1.507 1.208) 2.219 13.097 ( -0.249 -0.083 -0.899) 0.937 13.163 ( -0.663 0.586 -1.709) 1.924 13.209 ( 0.113 -0.575 -1.176) 1.314 13.214 ( 0.214 -0.101 0.058) 0.244 13.370 ( -0.024 -1.305 -2.312) 2.655 13.398 ( 0.104 0.671 -1.337) 1.500 13.414 ( -0.314 -0.026 -1.457) 1.491 17.254 ( -0.450 -0.331 -0.598) 0.818 17.305 ( -0.352 -0.130 -3.307) 3.328 17.347 ( -0.555 0.086 -0.508) 0.757 17.380 ( 0.509 -1.021 -1.869) 2.189 17.662 ( 0.065 1.079 -1.791) 2.092 17.692 ( 0.780 0.471 -1.358) 1.636 17.814 ( 0.132 0.090 -0.626) 0.646 17.848 ( -0.289 -0.508 -0.501) 0.770 17.872 ( 0.137 0.490 -0.380) 0.635 17.919 ( 0.071 1.266 -0.355) 1.317 17.947 ( 0.507 -0.512 -0.023) 0.721 17.987 ( -1.080 -0.280 0.825) 1.388 18.035 ( -0.024 0.013 1.393) 1.394 18.047 ( 0.143 -0.212 2.209) 2.223 18.070 ( 0.492 -1.262 2.644) 2.971 18.157 ( -0.243 1.622 0.167) 1.649 18.183 ( 0.336 -0.332 -0.431) 0.640 18.193 ( 0.175 -0.078 -0.826) 0.848 27.505 ( 0.457 0.069 0.341) 0.575 27.537 ( -0.746 -1.305 0.025) 1.504 27.584 ( 0.166 0.541 0.203) 0.601 27.679 ( -0.340 2.018 -1.747) 2.691 27.795 ( 3.030 1.725 -3.601) 5.012 27.889 ( -2.564 -3.042 -4.776) 6.216 28.489 ( 0.343 2.338 7.147) 7.528 28.568 ( 1.536 0.551 8.865) 9.014 28.605 ( -1.439 1.144 3.029) 3.543 28.732 ( 1.834 -1.458 3.085) 3.874 29.340 ( -0.033 0.095 -0.669) 0.676 29.474 ( -3.972 -4.173 -2.724) 6.373 30.175 ( -0.564 -2.859 10.402) 10.802 30.521 ( -1.832 3.886 6.811) 8.053 30.833 ( 3.322 -10.702 2.013) 11.385 31.245 ( -1.677 8.015 -6.527) 10.471 33.042 ( -3.704 1.376 18.102) 18.528 33.211 ( 2.224 -3.963 11.817) 12.661 36.067 ( -2.233 1.373 0.955) 2.790 36.093 ( 0.660 0.041 4.043) 4.096 36.238 ( 2.808 -7.041 -0.860) 7.629 36.608 ( -2.977 9.653 -6.308) 11.909 36.862 ( 4.049 -0.884 -11.098) 11.847 37.227 ( -1.076 -1.436 -13.650) 13.767 ======================= Grid point 96 (23/40) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -6.916 3.852 2.200) 8.217 1.209 ( -5.797 -6.425 8.918) 12.426 1.377 ( 11.327 2.492 5.244) 12.729 1.569 ( -1.261 1.830 4.228) 4.777 2.044 ( -0.039 0.628 4.042) 4.091 2.200 ( 4.233 -3.381 1.274) 5.565 2.392 ( -3.744 3.129 9.644) 10.809 2.556 ( -8.442 -1.450 3.373) 9.206 2.641 ( -5.906 0.459 8.190) 10.108 2.740 ( -0.881 -0.433 10.895) 10.939 2.911 ( 1.503 -1.537 1.688) 2.733 2.994 ( -2.319 -0.883 21.420) 21.564 3.061 ( 2.748 0.351 13.807) 14.082 3.591 ( -2.573 2.740 -7.018) 7.961 3.654 ( 1.365 -0.216 2.900) 3.213 3.756 ( -2.807 -2.243 -1.713) 3.980 3.835 ( 2.146 -1.343 2.810) 3.782 3.952 ( -1.233 0.863 -5.534) 5.735 4.051 ( -6.725 3.964 -7.578) 10.880 4.153 ( 1.798 0.736 1.227) 2.298 4.259 ( 7.677 3.886 -5.620) 10.277 4.330 ( -0.205 -1.997 -2.295) 3.049 4.525 ( -1.737 -5.053 7.235) 8.994 4.571 ( 7.713 -3.629 -5.775) 10.297 4.661 ( 6.671 -0.154 7.465) 10.012 4.786 ( -2.632 2.303 -4.833) 5.965 4.933 ( -2.727 1.707 0.689) 3.291 5.032 ( -2.449 1.026 0.941) 2.817 5.150 ( -2.636 -0.865 -5.487) 6.149 5.258 ( -2.064 1.015 0.811) 2.439 5.274 ( 2.630 0.787 0.014) 2.746 5.399 ( 4.900 2.361 -5.138) 7.482 5.480 ( 3.345 -5.820 -3.327) 7.492 5.489 ( 0.915 2.765 -5.179) 5.942 5.760 ( -3.952 2.686 4.735) 6.727 5.824 ( -3.075 -2.877 5.164) 6.663 6.043 ( 5.493 -2.677 6.076) 8.617 6.096 ( 3.558 -1.591 0.328) 3.911 6.198 ( -4.246 3.327 1.115) 5.508 6.289 ( -0.847 -0.516 -3.772) 3.900 6.376 ( 2.470 -0.209 3.960) 4.672 6.462 ( -0.277 1.123 -4.273) 4.427 12.792 ( 0.775 -0.408 3.043) 3.166 12.850 ( -0.506 0.736 0.648) 1.104 12.872 ( 0.148 -0.217 -0.538) 0.599 12.952 ( 0.359 -0.180 1.184) 1.250 13.066 ( -1.804 -0.190 0.949) 2.048 13.098 ( 0.206 0.145 -0.728) 0.770 13.167 ( 0.026 1.000 -1.368) 1.695 13.195 ( -0.251 -0.402 -1.189) 1.280 13.224 ( 0.482 -0.355 -0.172) 0.623 13.367 ( 0.835 -0.468 -2.369) 2.555 13.404 ( -0.278 -0.197 -1.152) 1.201 13.411 ( 0.101 0.552 -1.619) 1.713 17.255 ( 0.612 0.186 -0.789) 1.015 17.308 ( 0.533 0.225 -3.355) 3.404 17.337 ( -0.449 0.463 -0.172) 0.668 17.386 ( 0.945 -0.839 -1.985) 2.353 17.667 ( -0.385 0.548 -2.275) 2.372 17.685 ( -1.469 -0.468 -0.824) 1.748 17.815 ( 0.066 -0.145 -0.621) 0.641 17.851 ( 0.860 -0.106 -0.715) 1.124 17.868 ( -0.870 0.271 -0.235) 0.941 17.922 ( -1.202 0.563 -0.332) 1.368 17.947 ( 0.514 -0.794 -0.156) 0.958 17.985 ( 0.469 0.877 1.076) 1.465 18.037 ( -0.135 -0.114 1.561) 1.571 18.039 ( 0.157 -0.031 1.925) 1.932 18.077 ( 1.072 -1.226 2.661) 3.119 18.155 ( -1.085 1.312 0.569) 1.795 18.177 ( -0.651 -0.531 -1.306) 1.553 18.200 ( 0.453 -0.275 -0.364) 0.643 27.506 ( -0.290 -0.395 0.271) 0.560 27.535 ( 1.255 0.107 0.210) 1.277 27.588 ( -0.110 -0.035 0.073) 0.136 27.677 ( -1.836 1.381 -1.765) 2.897 27.796 ( -2.958 -1.776 -3.552) 4.952 27.889 ( 3.938 0.716 -4.793) 6.244 28.510 ( -1.112 2.221 7.476) 7.878 28.519 ( -2.800 -1.336 6.661) 7.348 28.653 ( 1.323 1.388 5.477) 5.803 28.712 ( -0.793 -2.949 2.529) 3.965 29.339 ( -0.061 0.109 -0.674) 0.686 29.474 ( 5.554 1.332 -2.728) 6.329 30.177 ( 2.945 -1.012 10.383) 10.840 30.520 ( -2.583 3.590 6.844) 8.149 30.829 ( 7.167 -7.988 2.109) 10.937 31.251 ( -5.561 5.172 -6.734) 10.149 33.034 ( 0.187 3.812 18.284) 18.678 33.217 ( 2.684 -3.781 11.730) 12.613 36.051 ( -0.783 1.678 1.671) 2.494 36.116 ( 0.567 0.721 3.781) 3.891 36.232 ( 4.499 -6.292 -1.398) 7.861 36.607 ( -6.927 7.402 -6.203) 11.885 36.862 ( -1.226 -3.939 -11.123) 11.864 37.227 ( 1.781 0.214 -13.649) 13.767 ======================= Grid point 101 (24/40) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.000 -0.000 -3.851) 3.851 1.223 ( -1.754 -3.508 6.637) 7.709 1.223 ( 1.754 3.507 6.637) 7.709 1.605 ( -0.000 -0.000 7.922) 7.922 2.083 ( -1.661 -3.322 0.532) 3.753 2.083 ( 1.661 3.322 0.532) 3.753 2.476 ( -0.000 -0.000 11.626) 11.626 2.680 ( -2.395 -4.790 7.721) 9.397 2.680 ( 2.395 4.790 7.721) 9.397 2.704 ( -0.000 -0.000 5.770) 5.770 2.882 ( -0.000 -0.000 1.594) 1.594 3.021 ( -0.457 -0.914 19.898) 19.924 3.021 ( 0.457 0.914 19.898) 19.924 3.631 ( -0.000 -0.000 -4.931) 4.931 3.652 ( -0.000 -0.000 2.273) 2.273 3.784 ( -0.738 -1.475 -0.306) 1.678 3.784 ( 0.738 1.475 -0.306) 1.678 4.048 ( -2.759 -5.518 -3.228) 6.962 4.048 ( 2.759 5.517 -3.228) 6.962 4.201 ( -0.000 0.000 0.384) 0.384 4.247 ( -3.373 -6.745 -10.952) 13.298 4.247 ( 3.373 6.745 -10.952) 13.298 4.525 ( -0.952 -1.905 4.507) 4.985 4.525 ( 0.952 1.905 4.507) 4.985 4.529 ( -0.000 -0.000 6.962) 6.962 4.810 ( -0.000 -0.000 -1.918) 1.918 5.012 ( -1.312 -2.624 0.926) 3.076 5.012 ( 1.312 2.624 0.926) 3.076 5.234 ( -1.490 -2.979 -2.714) 4.296 5.234 ( 1.490 2.979 -2.714) 4.296 5.291 ( -0.000 -0.000 2.674) 2.674 5.375 ( -1.329 -2.658 -6.820) 7.439 5.375 ( 1.329 2.658 -6.820) 7.439 5.503 ( -0.000 -0.000 -9.696) 9.696 5.824 ( -1.108 -2.216 6.900) 7.331 5.824 ( 1.108 2.216 6.900) 7.331 6.008 ( -1.603 -3.206 3.376) 4.924 6.008 ( 1.603 3.206 3.376) 4.924 6.273 ( -0.000 -0.000 -9.419) 9.419 6.312 ( -1.748 -3.496 6.879) 7.912 6.312 ( 1.748 3.496 6.879) 7.912 6.479 ( -0.000 -0.000 -6.706) 6.706 12.782 ( -0.000 -0.000 3.163) 3.163 12.865 ( -0.239 -0.478 -0.153) 0.556 12.865 ( 0.239 0.478 -0.153) 0.556 12.947 ( -0.000 -0.000 1.587) 1.587 13.090 ( -0.308 -0.616 0.527) 0.867 13.090 ( 0.308 0.616 0.527) 0.867 13.174 ( -0.000 -0.000 -2.552) 2.552 13.205 ( -0.324 -0.647 -0.445) 0.850 13.205 ( 0.324 0.647 -0.445) 0.850 13.354 ( -0.000 -0.000 -2.618) 2.618 13.410 ( -0.151 -0.302 -1.392) 1.433 13.410 ( 0.151 0.302 -1.392) 1.433 17.251 ( -0.000 -0.000 -1.079) 1.079 17.305 ( -0.000 -0.000 -3.298) 3.298 17.357 ( -0.495 -0.990 -1.095) 1.557 17.357 ( 0.495 0.990 -1.095) 1.557 17.685 ( -0.406 -0.812 -1.910) 2.115 17.685 ( 0.406 0.812 -1.910) 2.115 17.828 ( -0.509 -1.018 -0.499) 1.242 17.828 ( 0.509 1.018 -0.499) 1.242 17.878 ( -0.000 -0.000 0.061) 0.061 17.940 ( -0.183 -0.367 -0.492) 0.640 17.940 ( 0.183 0.367 -0.492) 0.640 17.981 ( 0.000 -0.000 1.168) 1.168 18.037 ( 0.000 -0.000 1.912) 1.912 18.049 ( -0.345 -0.691 2.415) 2.536 18.049 ( 0.345 0.691 2.415) 2.536 18.178 ( -0.191 -0.382 -0.175) 0.462 18.178 ( 0.191 0.382 -0.175) 0.462 18.188 ( -0.000 0.000 -0.562) 0.562 27.514 ( -0.359 -0.719 0.206) 0.830 27.514 ( 0.359 0.719 0.206) 0.830 27.590 ( -0.000 -0.000 0.470) 0.470 27.708 ( -0.000 -0.000 -1.924) 1.924 27.832 ( -0.959 -1.919 -4.273) 4.781 27.832 ( 0.959 1.919 -4.273) 4.781 28.517 ( 0.000 -0.000 9.492) 9.492 28.601 ( -1.352 -2.704 6.476) 7.147 28.601 ( 1.352 2.704 6.476) 7.147 28.699 ( -0.000 -0.000 0.914) 0.914 29.388 ( -1.716 -3.432 -2.408) 4.530 29.388 ( 1.716 3.432 -2.408) 4.530 30.141 ( -0.000 -0.000 9.916) 9.916 30.641 ( -3.366 -6.733 5.637) 9.404 30.641 ( 3.366 6.733 5.637) 9.404 31.334 ( -0.000 -0.000 -8.120) 8.120 33.112 ( -2.213 -4.426 14.706) 15.516 33.112 ( 2.213 4.426 14.706) 15.516 36.102 ( -0.000 -0.000 4.675) 4.675 36.118 ( -1.701 -3.402 0.213) 3.809 36.118 ( 1.701 3.402 0.213) 3.809 36.782 ( -2.934 -5.869 -8.674) 10.876 36.782 ( 2.934 5.869 -8.674) 10.876 37.211 ( -0.000 -0.000 -14.314) 14.314 ======================= Grid point 129 (25/40) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -0.000 0.000 13.623) 13.623 1.405 ( -0.000 0.000 13.623) 13.623 1.559 ( -0.000 0.000 3.090) 3.090 1.559 ( -0.000 0.000 3.090) 3.090 2.341 ( -0.000 -0.000 1.627) 1.627 2.341 ( -0.000 0.000 1.627) 1.627 2.369 ( 0.000 -0.000 3.528) 3.528 2.369 ( -0.000 0.000 3.528) 3.528 2.378 ( 0.000 0.000 7.830) 7.830 2.757 ( 0.000 0.000 32.409) 32.409 3.028 ( 0.000 0.000 4.271) 4.271 3.028 ( -0.000 0.000 4.271) 4.271 3.192 ( 0.000 -0.000 18.559) 18.559 3.367 ( 0.000 0.000 -11.765) 11.765 3.482 ( -0.000 0.000 1.111) 1.111 3.482 ( -0.000 -0.000 1.111) 1.111 3.971 ( 0.000 0.000 -4.178) 4.178 3.971 ( 0.000 0.000 -4.178) 4.178 4.082 ( 0.000 0.000 1.669) 1.669 4.201 ( -0.000 0.000 -9.266) 9.266 4.201 ( 0.000 -0.000 -9.266) 9.266 4.575 ( 0.000 -0.000 -4.153) 4.153 4.575 ( 0.000 0.000 -4.153) 4.153 4.707 ( 0.000 0.000 -10.156) 10.156 4.714 ( 0.000 0.000 -3.065) 3.065 4.714 ( -0.000 0.000 -3.065) 3.065 4.860 ( 0.000 0.000 8.742) 8.742 5.102 ( -0.000 0.000 1.550) 1.550 5.206 ( 0.000 0.000 6.292) 6.292 5.206 ( -0.000 -0.000 6.292) 6.292 5.352 ( -0.000 0.000 2.953) 2.953 5.614 ( 0.000 -0.000 3.920) 3.920 5.668 ( 0.000 -0.000 -8.632) 8.632 5.668 ( -0.000 -0.000 -8.632) 8.632 5.796 ( -0.000 0.000 -8.906) 8.906 5.891 ( 0.000 0.000 -5.899) 5.899 5.915 ( 0.000 0.000 13.245) 13.245 5.915 ( 0.000 0.000 13.245) 13.245 5.941 ( 0.000 0.000 4.306) 4.306 6.374 ( -0.000 0.000 -6.648) 6.648 6.498 ( 0.000 -0.000 -4.152) 4.152 6.498 ( 0.000 0.000 -4.152) 4.152 12.876 ( -0.000 0.000 2.083) 2.083 12.876 ( -0.000 0.000 2.083) 2.083 12.899 ( 0.000 0.000 -0.063) 0.063 12.958 ( 0.000 -0.000 -0.692) 0.692 12.958 ( 0.000 0.000 -0.692) 0.692 13.012 ( 0.000 0.000 -3.983) 3.983 13.198 ( 0.000 0.000 1.241) 1.241 13.198 ( 0.000 0.000 1.241) 1.241 13.263 ( 0.000 0.000 2.682) 2.682 13.357 ( -0.000 0.000 -3.171) 3.171 13.357 ( 0.000 0.000 -3.171) 3.171 13.389 ( -0.000 0.000 -0.804) 0.804 17.341 ( 0.000 -0.000 -0.182) 0.182 17.341 ( 0.000 0.000 -0.182) 0.182 17.367 ( 0.000 0.000 -1.225) 1.225 17.367 ( 0.000 0.000 -1.225) 1.225 17.600 ( 0.000 0.000 2.776) 2.776 17.740 ( 0.000 0.000 1.899) 1.899 17.807 ( 0.000 -0.000 -0.451) 0.451 17.807 ( 0.000 0.000 -0.451) 0.451 17.832 ( 0.000 -0.000 -0.903) 0.903 17.832 ( 0.000 0.000 -0.903) 0.903 17.837 ( 0.000 -0.000 -0.466) 0.466 17.996 ( -0.000 0.000 -1.512) 1.512 18.074 ( -0.000 0.000 0.569) 0.569 18.098 ( 0.000 0.000 1.727) 1.727 18.098 ( 0.000 0.000 1.727) 1.727 18.139 ( 0.000 0.000 -1.364) 1.364 18.160 ( -0.000 -0.000 -0.558) 0.558 18.160 ( 0.000 0.000 -0.558) 0.558 27.550 ( 0.000 0.000 0.111) 0.111 27.550 ( -0.000 -0.000 0.111) 0.111 27.591 ( 0.000 0.000 -0.696) 0.696 27.591 ( 0.000 0.000 -0.696) 0.696 27.633 ( 0.000 0.000 1.922) 1.922 27.938 ( -0.000 0.000 -6.647) 6.647 28.496 ( 0.000 0.000 4.915) 4.915 28.496 ( 0.000 0.000 4.915) 4.915 28.657 ( 0.000 0.000 0.627) 0.627 28.657 ( -0.000 0.000 0.627) 0.627 29.629 ( -0.000 0.000 -1.314) 1.314 29.693 ( -0.000 -0.000 -2.302) 2.302 30.620 ( -0.000 0.000 5.448) 5.448 30.620 ( 0.000 0.000 5.448) 5.448 30.927 ( 0.000 0.000 -4.394) 4.394 30.927 ( 0.000 0.000 -4.394) 4.394 33.435 ( 0.000 0.000 9.615) 9.615 33.682 ( -0.000 0.000 1.935) 1.935 36.144 ( -0.000 0.000 1.158) 1.158 36.144 ( 0.000 0.000 1.158) 1.158 36.294 ( 0.000 0.000 -3.354) 3.354 36.294 ( -0.000 0.000 -3.354) 3.354 36.418 ( 0.000 0.000 5.018) 5.018 37.071 ( 0.000 0.000 -13.766) 13.766 ======================= Grid point 130 (26/40) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -7.931 -3.869 15.607) 17.929 1.371 ( -0.460 -1.573 13.274) 13.375 1.586 ( -0.480 1.645 2.018) 2.647 1.623 ( 3.945 1.018 2.222) 4.641 2.265 ( -2.972 -2.528 5.218) 6.515 2.322 ( -2.261 2.133 2.794) 4.179 2.375 ( 2.457 -3.043 5.581) 6.815 2.427 ( 4.096 2.588 6.407) 8.032 2.459 ( 4.704 4.300 1.881) 6.645 2.840 ( 3.725 2.227 14.835) 15.457 3.029 ( 0.588 0.147 6.409) 6.437 3.131 ( 8.252 4.907 13.143) 16.276 3.234 ( 3.155 1.761 16.992) 17.372 3.405 ( 2.959 1.721 -10.549) 11.091 3.493 ( 0.967 0.305 1.093) 1.491 3.536 ( 4.212 2.635 0.544) 4.998 3.917 ( -2.159 -1.074 -2.747) 3.655 3.942 ( -2.199 -1.427 -3.238) 4.166 4.097 ( -3.750 0.114 -1.325) 3.979 4.147 ( -1.087 -5.684 -7.418) 9.409 4.213 ( 0.734 3.718 -7.149) 8.092 4.505 ( -2.639 -2.011 -4.831) 5.860 4.569 ( -0.414 -1.248 -4.949) 5.120 4.660 ( -4.294 -1.457 -0.973) 4.638 4.753 ( 0.896 1.415 -2.238) 2.795 4.772 ( 2.566 0.517 -0.522) 2.669 4.889 ( 3.666 2.181 1.015) 4.385 4.992 ( -8.021 -4.567 3.478) 9.863 5.121 ( -2.539 -1.436 1.379) 3.226 5.229 ( 1.055 0.473 5.248) 5.374 5.450 ( 2.801 1.419 3.166) 4.459 5.509 ( -6.908 -4.351 -6.823) 10.640 5.537 ( -7.818 -2.441 -3.148) 8.774 5.656 ( -2.467 -6.290 2.707) 7.279 5.743 ( 0.104 2.922 -0.817) 3.036 5.846 ( -1.071 4.281 -2.584) 5.114 5.907 ( 2.121 -3.431 7.826) 8.804 6.024 ( 5.573 3.021 -1.228) 6.457 6.100 ( 5.751 3.747 3.936) 7.912 6.348 ( -2.081 -1.180 -3.303) 4.079 6.458 ( -3.146 -1.749 -4.413) 5.695 6.494 ( -0.271 -0.206 -2.849) 2.869 12.870 ( -0.448 -0.269 1.444) 1.536 12.874 ( -0.331 -0.201 2.053) 2.089 12.883 ( -0.744 -0.394 0.128) 0.852 12.961 ( 0.257 0.051 -0.448) 0.519 12.988 ( 1.993 1.267 -0.391) 2.394 13.026 ( 1.087 0.602 -3.111) 3.350 13.192 ( -0.495 -0.518 1.233) 1.426 13.200 ( -0.120 0.183 0.823) 0.852 13.251 ( -0.695 -0.443 2.151) 2.304 13.350 ( -0.619 -0.190 -3.124) 3.190 13.361 ( 0.283 -0.020 -2.822) 2.836 13.384 ( -0.327 -0.159 -0.979) 1.044 17.311 ( -2.087 -1.082 -0.004) 2.351 17.329 ( -1.901 -1.527 -0.686) 2.533 17.343 ( -0.493 0.114 -0.379) 0.632 17.366 ( -0.076 -0.135 -1.205) 1.215 17.627 ( 1.794 1.021 2.285) 3.079 17.691 ( -2.183 -1.218 1.957) 3.175 17.808 ( 0.203 -0.124 -0.482) 0.538 17.818 ( 0.789 0.639 -0.294) 1.057 17.823 ( 0.376 0.208 -2.427) 2.464 17.849 ( 1.242 0.750 -0.857) 1.685 17.935 ( 4.240 2.437 -0.529) 4.919 17.982 ( -1.193 -0.670 -1.742) 2.216 18.068 ( -0.903 -0.769 1.239) 1.715 18.075 ( 0.053 0.372 0.826) 0.908 18.093 ( -0.254 -0.157 1.723) 1.749 18.147 ( -0.095 -0.907 -0.248) 0.945 18.160 ( -0.450 0.895 -0.608) 1.172 18.176 ( 1.506 0.480 -0.539) 1.671 27.536 ( -0.794 -0.464 0.924) 1.304 27.559 ( 0.604 0.438 0.260) 0.790 27.584 ( -0.487 -0.530 -0.474) 0.862 27.603 ( 0.775 0.638 -0.773) 1.267 27.659 ( 1.825 1.029 0.563) 2.169 27.909 ( -2.159 -1.247 -5.930) 6.433 28.512 ( 1.339 0.743 4.738) 4.979 28.557 ( 4.486 2.688 4.434) 6.857 28.656 ( 0.012 -0.260 0.883) 0.921 28.683 ( 2.036 1.375 0.934) 2.629 29.554 ( -5.727 -3.316 -0.403) 6.630 29.639 ( -4.373 -2.512 -2.537) 5.645 30.551 ( -4.525 -2.640 7.626) 9.252 30.614 ( -0.389 -0.221 5.564) 5.582 30.932 ( 0.206 0.667 -4.497) 4.551 30.953 ( 1.748 0.478 -5.248) 5.552 33.438 ( 0.063 0.062 9.689) 9.689 33.583 ( -6.580 -3.821 7.099) 10.407 36.124 ( -1.580 -0.424 1.645) 2.320 36.156 ( 1.413 0.072 2.121) 2.549 36.300 ( 0.075 0.717 -3.610) 3.681 36.377 ( 3.501 1.391 -3.262) 4.983 36.433 ( 3.416 2.185 0.309) 4.067 37.048 ( -1.838 -1.061 -13.768) 13.931 ======================= Grid point 131 (27/40) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -7.326 -4.025 15.099) 17.258 1.382 ( 2.433 -0.380 10.591) 10.873 1.559 ( -2.529 0.032 3.286) 4.147 1.682 ( 0.856 1.212 2.661) 3.046 2.204 ( -1.983 -0.513 8.036) 8.293 2.275 ( -1.338 -2.953 2.513) 4.102 2.438 ( 5.504 -1.204 4.004) 6.913 2.511 ( -1.389 6.548 0.257) 6.699 2.631 ( 8.706 2.727 3.509) 9.775 2.886 ( 0.166 1.404 4.835) 5.037 3.063 ( 2.411 0.252 10.409) 10.688 3.309 ( 3.181 2.121 12.243) 12.826 3.362 ( 7.808 4.010 17.111) 19.231 3.486 ( 2.547 1.697 -0.929) 3.198 3.531 ( 3.778 1.461 -2.667) 4.850 3.665 ( 4.969 3.247 -2.311) 6.370 3.870 ( -1.912 -1.790 -2.214) 3.430 3.906 ( -1.132 1.892 -1.089) 2.459 3.998 ( -4.501 -0.215 -0.552) 4.539 4.068 ( 0.975 -7.619 -4.868) 9.094 4.239 ( -5.624 5.856 -7.778) 11.244 4.426 ( -3.609 -5.113 1.924) 6.547 4.514 ( 2.725 -7.794 -3.112) 8.824 4.610 ( -4.559 4.853 -5.349) 8.541 4.716 ( -2.467 -0.042 5.314) 5.859 4.793 ( -3.312 -3.289 -1.092) 4.794 4.868 ( 1.942 1.393 -0.483) 2.438 4.996 ( 3.068 2.242 -0.143) 3.803 5.088 ( -0.415 0.045 -1.729) 1.779 5.226 ( -1.026 -1.802 2.574) 3.305 5.332 ( -6.035 -1.462 -9.200) 11.100 5.362 ( -5.366 -4.457 0.417) 6.988 5.441 ( -2.513 -2.449 2.354) 4.226 5.641 ( 3.254 -2.180 4.031) 5.621 5.763 ( -3.976 4.990 3.533) 7.294 5.889 ( 2.251 4.399 0.773) 5.002 5.961 ( 6.446 -2.211 -2.843) 7.384 6.133 ( 3.128 1.294 -3.520) 4.884 6.158 ( -1.380 -1.059 0.119) 1.743 6.312 ( -0.748 1.233 3.435) 3.725 6.362 ( -3.963 -2.927 -4.114) 6.418 6.485 ( -0.433 -0.251 -0.226) 0.549 12.858 ( -0.352 -0.451 0.754) 0.946 12.860 ( -0.552 -0.091 0.381) 0.676 12.877 ( -0.085 0.020 2.384) 2.385 12.965 ( 0.234 -0.100 -0.055) 0.260 13.043 ( 1.957 1.821 -0.374) 2.699 13.058 ( 1.575 0.556 -1.742) 2.414 13.170 ( -0.635 -1.493 1.345) 2.108 13.191 ( -1.267 0.454 0.071) 1.348 13.241 ( 0.012 -0.331 1.345) 1.385 13.334 ( -0.891 0.191 -2.987) 3.122 13.360 ( 0.042 -0.825 -2.425) 2.562 13.380 ( -0.152 0.184 -1.427) 1.447 17.264 ( -1.685 -0.708 -0.044) 1.828 17.277 ( -1.559 -1.295 -1.025) 2.271 17.342 ( -0.128 0.271 0.054) 0.305 17.362 ( -0.071 -0.251 -1.143) 1.172 17.646 ( -0.532 -0.380 1.324) 1.477 17.679 ( 1.166 0.812 1.327) 1.944 17.810 ( 0.200 -0.114 -0.480) 0.532 17.830 ( 0.282 0.031 -1.815) 1.837 17.846 ( 1.105 0.842 -0.087) 1.392 17.881 ( 1.059 0.660 -1.080) 1.650 17.949 ( -1.018 -0.829 -1.652) 2.110 17.983 ( -0.183 0.145 -1.237) 1.259 18.057 ( 0.066 -0.004 1.369) 1.371 18.085 ( -0.705 0.159 1.163) 1.369 18.113 ( 2.268 1.294 0.446) 2.649 18.136 ( 0.661 -1.198 0.821) 1.596 18.160 ( -0.699 1.116 -0.580) 1.439 18.195 ( 0.252 -0.275 -0.447) 0.582 27.524 ( -0.128 -0.041 1.292) 1.299 27.561 ( -0.898 -0.314 0.292) 0.995 27.581 ( 0.829 -0.001 0.392) 0.917 27.625 ( 0.701 0.721 -0.810) 1.291 27.710 ( 2.379 1.297 -1.353) 3.029 27.846 ( -2.849 -1.649 -4.647) 5.694 28.554 ( 2.066 1.034 4.175) 4.772 28.630 ( -0.901 0.679 2.681) 2.909 28.695 ( 5.106 0.960 3.608) 6.326 28.755 ( 3.177 2.787 1.266) 4.412 29.398 ( -5.890 -3.394 0.684) 6.832 29.502 ( -6.268 -3.603 -2.721) 7.725 30.452 ( -3.051 -1.882 10.193) 10.805 30.605 ( -0.353 -0.173 5.839) 5.852 30.947 ( -0.200 1.927 -4.768) 5.146 30.980 ( 1.489 -1.146 -6.077) 6.360 33.400 ( -3.924 -1.879 13.039) 13.746 33.477 ( -0.632 -0.719 9.631) 9.678 36.091 ( -1.427 -0.270 2.419) 2.822 36.191 ( 2.332 -0.524 4.370) 4.981 36.310 ( -0.800 2.429 -3.881) 4.648 36.379 ( -0.254 -1.797 0.176) 1.823 36.593 ( 6.695 3.940 -9.516) 12.284 36.987 ( -3.027 -1.749 -13.873) 14.307 ======================= Grid point 132 (28/40) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.000 0.000 13.142) 13.142 1.416 ( 0.000 0.000 5.667) 5.667 1.528 ( 0.000 0.000 7.993) 7.993 1.690 ( 0.000 0.000 3.717) 3.717 2.184 ( 0.000 0.000 9.999) 9.999 2.244 ( 0.000 -0.000 0.822) 0.822 2.502 ( 0.000 -0.000 3.194) 3.194 2.515 ( -0.000 0.000 -2.684) 2.684 2.740 ( 0.000 0.000 1.907) 1.907 2.894 ( 0.000 0.000 5.707) 5.707 3.092 ( 0.000 0.000 13.516) 13.516 3.355 ( 0.000 0.000 2.474) 2.474 3.423 ( -0.000 0.000 16.442) 16.442 3.541 ( 0.000 0.000 11.655) 11.655 3.625 ( 0.000 0.000 -2.425) 2.425 3.691 ( -0.000 -0.000 -7.528) 7.528 3.883 ( 0.000 0.000 -1.169) 1.169 3.886 ( -0.000 0.000 -0.897) 0.897 3.965 ( 0.000 -0.000 4.024) 4.024 4.048 ( 0.000 0.000 -9.437) 9.437 4.171 ( 0.000 0.000 -4.415) 4.415 4.358 ( 0.000 0.000 6.633) 6.633 4.515 ( -0.000 0.000 -7.676) 7.676 4.548 ( 0.000 -0.000 -5.828) 5.828 4.730 ( -0.000 -0.000 -1.725) 1.725 4.733 ( 0.000 0.000 7.090) 7.090 4.905 ( 0.000 0.000 -2.029) 2.029 5.029 ( 0.000 -0.000 2.703) 2.703 5.099 ( 0.000 0.000 -4.723) 4.723 5.187 ( 0.000 0.000 -0.089) 0.089 5.276 ( 0.000 -0.000 0.331) 0.331 5.281 ( 0.000 0.000 -8.706) 8.706 5.402 ( 0.000 -0.000 3.925) 3.925 5.657 ( 0.000 0.000 7.330) 7.330 5.750 ( 0.000 0.000 0.325) 0.325 5.978 ( 0.000 0.000 -4.459) 4.459 5.998 ( -0.000 -0.000 0.353) 0.353 6.131 ( -0.000 0.000 1.143) 1.143 6.156 ( 0.000 0.000 -1.232) 1.232 6.277 ( 0.000 0.000 -9.124) 9.124 6.336 ( 0.000 0.000 6.184) 6.184 6.478 ( 0.000 0.000 1.303) 1.303 12.852 ( 0.000 0.000 0.598) 0.598 12.855 ( 0.000 0.000 0.172) 0.172 12.876 ( 0.000 0.000 2.876) 2.876 12.967 ( 0.000 0.000 0.120) 0.120 13.077 ( 0.000 -0.000 -0.589) 0.589 13.081 ( -0.000 0.000 -1.287) 1.287 13.152 ( 0.000 -0.000 1.812) 1.812 13.175 ( 0.000 0.000 -0.466) 0.466 13.240 ( 0.000 0.000 0.966) 0.966 13.328 ( 0.000 0.000 -2.943) 2.943 13.354 ( 0.000 -0.000 -2.352) 2.352 13.380 ( 0.000 0.000 -1.526) 1.526 17.245 ( 0.000 0.000 -0.149) 0.149 17.255 ( 0.000 0.000 -1.248) 1.248 17.343 ( 0.000 0.000 0.212) 0.212 17.360 ( 0.000 0.000 -1.139) 1.139 17.639 ( 0.000 0.000 0.916) 0.916 17.697 ( 0.000 0.000 0.939) 0.939 17.812 ( 0.000 0.000 -0.440) 0.440 17.832 ( 0.000 0.000 -1.420) 1.420 17.865 ( 0.000 0.000 0.456) 0.456 17.889 ( 0.000 0.000 -1.818) 1.818 17.941 ( -0.000 0.000 -1.408) 1.408 17.973 ( 0.000 0.000 -1.117) 1.117 18.064 ( 0.000 0.000 1.253) 1.253 18.071 ( -0.000 -0.000 1.312) 1.312 18.134 ( 0.000 0.000 0.237) 0.237 18.146 ( 0.000 0.000 1.119) 1.119 18.175 ( -0.000 -0.000 -0.844) 0.844 18.181 ( 0.000 0.000 -0.389) 0.389 27.526 ( -0.000 0.000 1.063) 1.063 27.547 ( 0.000 0.000 0.769) 0.769 27.590 ( 0.000 0.000 0.629) 0.629 27.636 ( 0.000 -0.000 -0.794) 0.794 27.761 ( 0.000 0.000 -2.729) 2.729 27.788 ( 0.000 0.000 -3.549) 3.549 28.600 ( 0.000 0.000 4.142) 4.142 28.602 ( -0.000 -0.000 2.371) 2.371 28.758 ( 0.000 0.000 4.789) 4.789 28.810 ( 0.000 0.000 1.677) 1.677 29.327 ( 0.000 0.000 -0.143) 0.143 29.402 ( 0.000 0.000 -2.282) 2.282 30.413 ( 0.000 0.000 10.969) 10.969 30.600 ( 0.000 0.000 5.994) 5.994 30.957 ( 0.000 0.000 -4.921) 4.921 30.986 ( 0.000 -0.000 -6.326) 6.326 33.346 ( 0.000 0.000 15.111) 15.111 33.475 ( 0.000 0.000 9.103) 9.103 36.076 ( 0.000 0.000 2.771) 2.771 36.213 ( 0.000 0.000 5.985) 5.985 36.318 ( -0.000 0.000 -3.254) 3.254 36.361 ( 0.000 -0.000 -2.078) 2.078 36.690 ( 0.000 0.000 -10.516) 10.516 36.936 ( 0.000 0.000 -14.179) 14.179 ======================= Grid point 137 (29/40) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -3.560 -7.202 15.149) 17.148 1.337 ( -1.710 0.201 11.469) 11.598 1.602 ( 1.094 -1.884 1.353) 2.564 1.649 ( 0.606 1.895 4.182) 4.631 2.193 ( -1.772 -4.068 5.475) 7.047 2.316 ( -4.580 -2.219 4.322) 6.677 2.421 ( 2.959 5.185 2.586) 6.506 2.481 ( 5.445 4.195 5.852) 9.027 2.595 ( 3.606 7.710 0.938) 8.563 2.883 ( 1.392 0.693 5.806) 6.010 3.049 ( 0.336 2.234 10.599) 10.837 3.294 ( 5.312 7.411 16.269) 18.650 3.304 ( 2.558 6.180 15.451) 16.837 3.474 ( 2.919 4.427 -8.311) 9.858 3.512 ( -0.143 1.831 1.006) 2.094 3.621 ( 3.326 4.702 -0.890) 5.828 3.890 ( -1.749 -2.237 -2.552) 3.818 3.900 ( 0.259 -2.113 -2.074) 2.972 3.996 ( -1.951 -4.995 -1.854) 5.674 4.115 ( -7.078 -1.047 -7.161) 10.123 4.241 ( 7.196 -2.426 -3.717) 8.455 4.463 ( -3.432 0.290 -4.622) 5.764 4.502 ( -7.404 -5.656 -0.496) 9.330 4.635 ( 3.046 -0.141 -2.619) 4.019 4.729 ( 0.385 -2.906 5.770) 6.472 4.819 ( -1.650 0.257 -5.018) 5.288 4.866 ( -1.037 -2.915 2.145) 3.764 4.974 ( 3.025 4.635 -0.978) 5.620 5.086 ( -0.859 -1.761 -0.386) 1.997 5.237 ( -0.714 0.119 3.078) 3.162 5.346 ( -4.140 -7.810 -7.049) 11.306 5.443 ( -0.778 -4.482 1.441) 4.772 5.478 ( -3.963 -3.705 -2.353) 5.913 5.566 ( -3.874 -1.297 4.559) 6.122 5.788 ( 6.797 1.354 -0.101) 6.931 5.846 ( 1.067 0.835 4.730) 4.920 5.969 ( -1.339 4.216 -0.203) 4.428 6.104 ( 2.150 5.168 -4.979) 7.491 6.159 ( 0.370 0.169 1.488) 1.542 6.317 ( 0.012 -1.485 2.654) 3.041 6.389 ( -2.388 -3.830 -4.936) 6.688 6.488 ( -0.392 -0.635 -0.964) 1.219 12.860 ( -0.337 -0.491 0.784) 0.985 12.870 ( -0.546 -0.157 1.762) 1.851 12.870 ( 0.130 -0.728 0.779) 1.074 12.968 ( 0.076 0.560 0.177) 0.592 13.025 ( 1.561 1.900 -0.642) 2.541 13.051 ( 0.832 1.739 -1.850) 2.672 13.173 ( -1.266 -1.104 0.776) 1.850 13.199 ( 0.492 -0.434 0.608) 0.894 13.242 ( -0.386 -0.141 1.767) 1.814 13.334 ( -0.355 -1.434 -3.137) 3.468 13.363 ( -0.420 0.254 -2.369) 2.419 13.382 ( 0.139 -0.103 -1.456) 1.466 17.273 ( -1.046 -2.097 -0.155) 2.349 17.295 ( -1.357 -1.717 -0.877) 2.358 17.338 ( 0.247 -0.238 -0.049) 0.346 17.363 ( -0.300 -0.211 -1.052) 1.114 17.659 ( 0.316 1.697 1.738) 2.450 17.664 ( 0.168 -0.974 1.336) 1.662 17.803 ( -0.199 0.019 -0.419) 0.464 17.829 ( 0.093 0.306 -2.139) 2.163 17.844 ( 0.914 1.355 -0.164) 1.643 17.876 ( 0.975 1.591 -0.976) 2.106 17.950 ( -1.016 -1.443 -1.493) 2.312 17.986 ( 0.634 0.732 -1.528) 1.809 18.061 ( -0.146 -0.029 1.307) 1.316 18.081 ( 0.476 -0.169 1.353) 1.444 18.103 ( 1.138 1.859 1.284) 2.529 18.130 ( -1.460 -0.476 -0.155) 1.543 18.165 ( 0.909 -0.360 -0.500) 1.098 18.193 ( -0.018 0.722 -0.337) 0.797 27.524 ( -0.258 -0.484 1.282) 1.395 27.563 ( -0.187 -0.811 0.229) 0.864 27.579 ( -0.027 0.860 0.205) 0.885 27.625 ( 1.065 1.315 -0.957) 1.944 27.691 ( 1.011 1.898 -0.709) 2.264 27.864 ( -1.613 -2.787 -4.998) 5.946 28.549 ( 1.358 2.638 4.398) 5.306 28.627 ( 2.799 1.921 4.114) 5.334 28.673 ( -0.831 3.306 1.462) 3.709 28.721 ( 2.371 1.993 1.407) 3.402 29.436 ( -3.968 -6.852 0.609) 7.942 29.546 ( -3.438 -6.007 -2.892) 7.501 30.468 ( -2.531 -4.211 10.031) 11.169 30.621 ( 0.408 0.696 5.246) 5.308 30.886 ( -1.340 -3.111 -2.849) 4.426 31.025 ( 1.951 4.083 -7.453) 8.720 33.439 ( 0.386 -0.621 9.936) 9.962 33.469 ( -3.688 -5.143 11.626) 13.237 36.110 ( 0.344 -1.189 2.040) 2.386 36.167 ( -1.213 1.635 2.806) 3.466 36.275 ( 0.163 -2.445 0.182) 2.457 36.454 ( 0.879 2.997 -1.142) 3.326 36.513 ( 4.020 6.267 -9.663) 12.198 37.006 ( -1.677 -2.902 -13.828) 14.228 ======================= Grid point 138 (30/40) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -3.897 -0.575 10.074) 10.817 1.365 ( 3.195 0.314 9.738) 10.254 1.534 ( -1.976 -4.120 7.421) 8.715 1.705 ( 0.248 2.117 2.151) 3.028 2.154 ( 1.632 -3.325 6.566) 7.539 2.200 ( -1.493 -4.507 2.823) 5.524 2.501 ( -1.168 5.430 2.466) 6.077 2.617 ( 0.466 4.996 -0.092) 5.019 2.726 ( 4.181 5.282 1.507) 6.903 2.895 ( -0.331 -1.927 5.339) 5.686 3.077 ( 0.760 1.458 15.208) 15.296 3.389 ( 0.977 5.227 8.375) 9.920 3.429 ( 0.671 2.734 18.193) 18.409 3.534 ( 0.909 1.085 7.692) 7.821 3.594 ( 4.688 4.433 -5.345) 8.379 3.695 ( -0.294 0.142 -6.209) 6.218 3.835 ( 0.404 -3.926 0.353) 3.962 3.885 ( 1.526 -3.032 -4.873) 5.939 3.970 ( -1.218 -0.521 -7.031) 7.155 4.010 ( 0.007 1.367 0.013) 1.367 4.254 ( -9.455 -5.041 -3.395) 11.240 4.322 ( 6.668 -7.457 -4.892) 11.135 4.444 ( -3.255 6.011 3.502) 7.681 4.668 ( 1.192 -0.152 2.552) 2.821 4.704 ( -3.853 -1.237 -1.276) 4.244 4.751 ( 0.691 0.496 -0.852) 1.204 4.904 ( 0.432 1.984 -1.868) 2.759 5.059 ( 0.682 -0.633 0.853) 1.263 5.062 ( 0.956 1.250 -3.919) 4.223 5.201 ( -1.330 -0.960 -3.616) 3.971 5.253 ( -0.603 -1.845 -2.432) 3.111 5.324 ( -4.818 -1.591 -0.639) 5.114 5.400 ( -0.149 -2.108 2.096) 2.976 5.547 ( 2.465 -5.249 3.816) 6.942 5.859 ( -3.051 3.741 4.963) 6.924 5.916 ( 5.401 -1.258 -0.349) 5.556 6.000 ( 0.651 4.846 -3.421) 5.968 6.111 ( -0.559 -2.427 1.271) 2.796 6.165 ( -0.619 -0.485 -2.295) 2.426 6.296 ( -0.783 -1.310 -5.355) 5.568 6.354 ( -0.567 2.320 2.255) 3.285 6.468 ( -0.129 -1.662 1.345) 2.142 12.852 ( -0.117 -0.110 1.272) 1.282 12.858 ( -0.391 -0.042 0.100) 0.405 12.869 ( 0.313 -0.645 1.892) 2.023 12.974 ( -0.148 0.775 0.800) 1.124 13.071 ( 1.297 0.858 -1.094) 1.902 13.084 ( 0.524 1.389 -0.511) 1.570 13.138 ( -0.581 -1.178 -0.190) 1.327 13.199 ( -0.733 0.474 0.734) 1.140 13.234 ( -0.025 -0.357 1.489) 1.532 13.313 ( 0.105 -1.849 -3.164) 3.666 13.361 ( -0.190 0.750 -2.224) 2.354 13.382 ( -0.087 -0.107 -1.723) 1.728 17.242 ( -0.414 -1.015 -0.473) 1.193 17.264 ( -0.736 -0.201 -1.081) 1.323 17.342 ( 0.189 -0.159 -0.106) 0.269 17.354 ( -0.040 -0.478 -0.717) 0.863 17.652 ( -0.691 0.798 1.034) 1.478 17.688 ( 0.870 -0.135 0.865) 1.234 17.806 ( 0.284 0.123 -0.397) 0.503 17.829 ( 0.023 -0.302 -1.472) 1.503 17.871 ( 0.456 1.258 0.079) 1.340 17.900 ( -0.502 0.902 -1.336) 1.688 17.927 ( 0.551 -0.962 -1.678) 2.011 17.984 ( -0.640 -0.160 -1.150) 1.326 18.064 ( 0.139 0.564 1.483) 1.593 18.083 ( -0.568 -0.156 1.497) 1.609 18.107 ( 0.456 -1.030 1.028) 1.525 18.154 ( 1.406 1.618 -0.083) 2.145 18.171 ( 0.193 -0.034 -0.900) 0.921 18.187 ( -0.821 -0.404 -0.091) 0.920 27.521 ( 0.264 -0.078 1.189) 1.220 27.544 ( -0.392 -1.000 0.540) 1.202 27.594 ( 0.154 0.864 0.773) 1.170 27.652 ( -0.160 1.669 -1.072) 1.990 27.735 ( 2.169 1.054 -2.187) 3.256 27.802 ( -2.003 -2.391 -3.818) 4.930 28.602 ( 0.688 3.249 4.062) 5.247 28.656 ( -2.588 2.171 2.079) 3.967 28.711 ( 3.615 0.015 5.019) 6.186 28.782 ( 2.088 -0.966 1.666) 2.840 29.331 ( -1.301 -1.864 -0.091) 2.275 29.417 ( -3.464 -4.201 -2.753) 6.102 30.401 ( -0.624 -2.297 11.803) 12.040 30.636 ( -1.079 2.971 4.758) 5.712 30.839 ( 1.928 -6.317 -1.217) 6.716 31.085 ( -0.890 5.023 -9.183) 10.504 33.377 ( -2.860 -0.193 13.845) 14.138 33.443 ( 1.590 -2.221 10.219) 10.578 36.098 ( -1.426 0.897 2.171) 2.748 36.176 ( 2.205 -1.009 2.760) 3.674 36.252 ( 0.315 -3.367 3.633) 4.964 36.483 ( -3.106 6.867 -5.524) 9.345 36.643 ( 4.694 0.517 -10.003) 11.062 36.941 ( -1.648 -2.284 -14.202) 14.478 ======================= Grid point 139 (31/40) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 2.358 3.065 10.449) 11.142 1.373 ( -0.981 -2.958 8.141) 8.717 1.534 ( 4.349 -0.269 7.448) 8.629 1.689 ( -3.018 1.328 4.301) 5.419 2.139 ( 2.031 -2.395 5.020) 5.921 2.237 ( 6.593 -2.353 3.225) 7.707 2.495 ( -4.274 3.246 1.728) 5.638 2.594 ( -6.935 3.261 -0.024) 7.664 2.752 ( -5.876 -1.407 2.881) 6.694 2.871 ( 1.261 -0.043 5.447) 5.591 3.092 ( -0.716 -0.348 14.851) 14.872 3.381 ( -4.499 1.818 10.465) 11.536 3.451 ( -3.545 0.241 18.057) 18.404 3.524 ( -0.935 0.290 5.969) 6.049 3.595 ( -5.474 -1.673 -7.477) 9.416 3.701 ( -0.815 -0.180 -4.395) 4.473 3.824 ( 3.946 -2.614 -1.084) 4.856 3.867 ( -0.340 -0.781 -3.371) 3.477 3.974 ( -0.543 0.522 -5.390) 5.442 4.062 ( 5.143 -3.219 -3.253) 6.885 4.158 ( 0.233 5.208 -2.060) 5.606 4.382 ( 8.748 -5.744 -0.047) 10.466 4.472 ( -1.009 4.139 -1.966) 4.692 4.633 ( -1.814 1.718 -1.264) 2.801 4.723 ( -2.874 0.716 0.741) 3.053 4.737 ( 3.735 -0.024 2.269) 4.371 4.905 ( -1.983 0.637 -2.307) 3.108 5.053 ( -1.964 0.419 -2.050) 2.870 5.055 ( 0.113 -1.117 -1.290) 1.710 5.223 ( 4.298 -0.627 -6.727) 8.007 5.237 ( -0.447 0.800 1.138) 1.461 5.339 ( 3.529 3.441 -1.508) 5.154 5.404 ( 3.116 -1.384 1.881) 3.894 5.546 ( 3.874 -5.368 4.862) 8.213 5.819 ( -4.937 3.925 1.678) 6.526 5.912 ( -2.628 -2.040 3.038) 4.505 6.042 ( -1.485 -0.655 -5.089) 5.342 6.119 ( 1.480 -1.202 2.190) 2.904 6.156 ( 2.668 1.050 -1.565) 3.267 6.288 ( -0.356 0.345 -6.427) 6.447 6.355 ( -1.020 1.517 2.967) 3.485 6.468 ( 1.480 -0.706 1.238) 2.055 12.853 ( 0.197 0.011 1.331) 1.345 12.858 ( 0.206 0.356 0.301) 0.509 12.868 ( 0.354 -0.583 1.564) 1.706 12.977 ( -0.434 0.473 1.015) 1.201 13.064 ( -1.805 -0.407 -0.734) 1.990 13.084 ( -1.161 0.141 -1.243) 1.706 13.148 ( 1.783 -0.596 -0.181) 1.889 13.191 ( -0.658 1.189 1.215) 1.823 13.239 ( 0.538 -0.145 1.344) 1.455 13.308 ( 1.169 -0.833 -3.289) 3.588 13.367 ( -0.122 0.331 -2.305) 2.332 13.379 ( -0.015 0.070 -1.635) 1.637 17.241 ( 0.983 -0.097 -0.466) 1.092 17.266 ( 0.728 0.472 -1.177) 1.462 17.338 ( -0.140 -0.183 0.179) 0.292 17.357 ( 0.532 -0.250 -0.911) 1.084 17.652 ( -0.308 1.004 0.900) 1.383 17.687 ( -0.400 -0.813 1.013) 1.359 17.807 ( -0.127 -0.227 -0.466) 0.533 17.830 ( 0.308 -0.200 -1.497) 1.541 17.871 ( -1.396 0.275 0.397) 1.477 17.899 ( -0.540 0.822 -1.835) 2.082 17.929 ( 0.669 -0.966 -1.371) 1.806 17.982 ( 0.334 0.544 -1.241) 1.396 18.066 ( -0.784 0.122 1.459) 1.660 18.074 ( 0.352 0.349 1.489) 1.569 18.116 ( 1.093 -0.925 1.209) 1.874 18.154 ( -1.589 -0.607 -0.448) 1.759 18.162 ( -0.861 0.466 -0.287) 1.020 18.193 ( 0.875 0.194 -0.444) 1.001 27.521 ( -0.080 -0.247 1.158) 1.187 27.544 ( 1.024 -0.165 0.621) 1.209 27.595 ( -0.639 0.227 0.689) 0.967 27.650 ( -1.553 1.026 -1.014) 2.119 27.736 ( -1.961 -1.360 -2.227) 3.265 27.802 ( 3.095 0.549 -3.804) 4.935 28.610 ( -3.800 0.905 3.404) 5.182 28.633 ( -0.519 2.198 3.985) 4.581 28.747 ( -0.552 -0.567 3.448) 3.538 28.760 ( -0.905 -3.597 1.989) 4.209 29.330 ( 2.283 0.233 -0.081) 2.296 29.418 ( 5.337 0.871 -2.737) 6.061 30.402 ( 2.379 -0.641 11.712) 11.968 30.636 ( -2.054 2.452 4.902) 5.854 30.836 ( 4.206 -4.688 -1.261) 6.423 31.088 ( -3.622 3.126 -9.246) 10.411 33.372 ( 1.270 2.220 13.991) 14.223 33.448 ( 1.431 -2.316 10.104) 10.464 36.091 ( -0.459 1.445 2.452) 2.883 36.208 ( 1.596 -4.936 0.241) 5.193 36.224 ( 1.042 0.988 5.654) 5.834 36.486 ( -4.052 5.976 -5.193) 8.894 36.642 ( -2.847 -3.843 -10.123) 11.196 36.941 ( 2.803 0.284 -14.197) 14.474 ======================= Grid point 144 (32/40) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -0.000 -0.000 4.210) 4.210 1.422 ( -2.248 -4.495 10.707) 11.828 1.422 ( 2.248 4.495 10.707) 11.828 1.747 ( -0.000 -0.000 2.016) 2.016 2.122 ( -0.821 -1.643 3.921) 4.330 2.122 ( 0.821 1.642 3.921) 4.330 2.556 ( 0.000 -0.000 -0.902) 0.902 2.777 ( -3.396 -6.791 3.665) 8.431 2.777 ( 3.396 6.791 3.665) 8.431 2.792 ( 0.000 0.000 1.308) 1.308 3.103 ( -0.000 -0.000 19.435) 19.435 3.475 ( -0.475 -0.950 21.252) 21.279 3.475 ( 0.475 0.950 21.252) 21.279 3.507 ( 0.000 0.000 -2.223) 2.223 3.701 ( -0.657 -1.313 -8.697) 8.820 3.701 ( 0.656 1.313 -8.697) 8.820 3.709 ( 0.000 -0.000 -1.017) 1.017 3.903 ( -1.529 -3.058 -7.938) 8.643 3.903 ( 1.529 3.058 -7.938) 8.643 4.124 ( -3.235 -6.471 -0.980) 7.301 4.124 ( 3.235 6.471 -0.980) 7.301 4.224 ( 0.000 -0.000 -0.530) 0.530 4.560 ( 0.000 -0.000 -3.460) 3.460 4.654 ( -0.583 -1.167 5.196) 5.357 4.654 ( 0.583 1.167 5.196) 5.357 4.776 ( 0.000 -0.000 -1.589) 1.589 4.972 ( -1.955 -3.910 -4.411) 6.210 4.972 ( 1.955 3.910 -4.411) 6.210 5.144 ( -1.718 -3.435 -3.299) 5.063 5.144 ( 1.718 3.435 -3.299) 5.063 5.285 ( 0.000 -0.000 1.776) 1.776 5.317 ( -0.931 -1.862 -0.597) 2.165 5.317 ( 0.931 1.862 -0.597) 2.165 5.493 ( -0.000 -0.000 5.026) 5.026 5.908 ( -0.608 -1.217 2.181) 2.570 5.908 ( 0.608 1.217 2.181) 2.570 6.081 ( 0.000 -0.000 -8.921) 8.921 6.089 ( -0.618 -1.236 3.971) 4.204 6.089 ( 0.618 1.236 3.971) 4.204 6.306 ( 0.000 -0.000 -10.036) 10.036 6.414 ( -1.462 -2.924 2.904) 4.373 6.414 ( 1.462 2.924 2.904) 4.373 12.853 ( 0.000 0.000 3.747) 3.747 12.859 ( -0.071 -0.142 -0.372) 0.404 12.859 ( 0.071 0.142 -0.372) 0.404 12.984 ( -0.000 -0.000 1.778) 1.778 13.089 ( -0.335 -0.669 -0.582) 0.948 13.089 ( 0.335 0.669 -0.582) 0.948 13.125 ( 0.000 -0.000 -1.870) 1.870 13.219 ( -0.555 -1.110 1.757) 2.151 13.219 ( 0.555 1.110 1.757) 2.151 13.288 ( -0.000 -0.000 -3.849) 3.849 13.375 ( -0.212 -0.424 -1.991) 2.047 13.375 ( 0.212 0.424 -1.991) 2.047 17.231 ( -0.000 -0.000 -0.676) 0.676 17.262 ( -0.000 -0.000 -1.365) 1.365 17.344 ( -0.205 -0.411 -0.248) 0.522 17.344 ( 0.205 0.411 -0.248) 0.522 17.673 ( -0.488 -0.976 0.776) 1.338 17.673 ( 0.488 0.976 0.776) 1.338 17.817 ( -0.343 -0.686 -0.837) 1.135 17.817 ( 0.343 0.686 -0.837) 1.135 17.888 ( -0.000 -0.000 0.977) 0.977 17.912 ( -0.233 -0.466 -2.144) 2.207 17.912 ( 0.233 0.466 -2.144) 2.207 17.981 ( 0.000 -0.000 -0.935) 0.935 18.073 ( 0.000 -0.000 1.792) 1.792 18.087 ( -0.428 -0.856 1.488) 1.769 18.087 ( 0.428 0.856 1.488) 1.769 18.171 ( 0.000 -0.000 -1.146) 1.146 18.175 ( -0.262 -0.524 -0.190) 0.615 18.175 ( 0.262 0.524 -0.190) 0.615 27.526 ( -0.269 -0.538 0.909) 1.090 27.526 ( 0.269 0.538 0.909) 1.090 27.604 ( -0.000 -0.000 0.934) 0.934 27.677 ( 0.000 -0.000 -1.298) 1.298 27.758 ( -0.658 -1.316 -2.944) 3.291 27.758 ( 0.658 1.316 -2.944) 3.291 28.655 ( 0.000 -0.000 4.339) 4.339 28.710 ( -0.774 -1.548 4.082) 4.434 28.710 ( 0.774 1.548 4.082) 4.434 28.721 ( -0.000 -0.000 1.144) 1.144 29.342 ( -1.166 -2.333 -1.943) 3.252 29.342 ( 1.166 2.333 -1.943) 3.252 30.375 ( -0.000 -0.000 12.811) 12.811 30.720 ( -2.213 -4.426 2.388) 5.495 30.720 ( 2.213 4.426 2.388) 5.495 31.141 ( -0.000 -0.000 -10.779) 10.779 33.396 ( -0.905 -1.810 12.243) 12.409 33.396 ( 0.905 1.810 12.243) 12.409 36.133 ( -1.168 -2.335 1.325) 2.928 36.133 ( 1.168 2.335 1.325) 2.928 36.223 ( -0.000 -0.000 7.341) 7.341 36.604 ( -1.873 -3.746 -8.351) 9.342 36.604 ( 1.873 3.746 -8.351) 9.342 36.913 ( -0.000 -0.000 -14.679) 14.679 ======================= Grid point 172 (33/40) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.000 -0.000 4.826) 4.826 1.587 ( 0.000 0.000 4.826) 4.826 1.616 ( 0.000 0.000 1.479) 1.479 1.616 ( 0.000 0.000 1.479) 1.479 2.361 ( -0.000 0.000 1.052) 1.052 2.361 ( 0.000 0.000 1.052) 1.052 2.390 ( 0.000 -0.000 -1.181) 1.181 2.390 ( 0.000 0.000 -1.181) 1.181 2.599 ( 0.000 -0.000 13.400) 13.400 2.884 ( 0.000 0.000 -12.990) 12.990 3.237 ( -0.000 0.000 14.828) 14.828 3.237 ( -0.000 0.000 14.828) 14.828 3.476 ( -0.000 0.000 -4.947) 4.947 3.476 ( 0.000 0.000 -4.947) 4.947 3.497 ( 0.000 -0.000 13.915) 13.915 3.505 ( 0.000 0.000 10.611) 10.611 3.896 ( 0.000 -0.000 -2.584) 2.584 3.896 ( 0.000 -0.000 -2.584) 2.584 3.949 ( -0.000 0.000 -10.231) 10.231 3.949 ( 0.000 0.000 -10.231) 10.231 4.141 ( 0.000 0.000 7.089) 7.089 4.421 ( 0.000 0.000 -16.903) 16.903 4.571 ( 0.000 -0.000 2.132) 2.132 4.571 ( 0.000 0.000 2.132) 2.132 4.635 ( 0.000 0.000 -3.971) 3.971 4.635 ( 0.000 0.000 -3.971) 3.971 5.014 ( 0.000 0.000 5.825) 5.825 5.093 ( 0.000 0.000 -2.218) 2.218 5.355 ( 0.000 0.000 7.813) 7.813 5.355 ( 0.000 0.000 7.813) 7.813 5.434 ( 0.000 0.000 5.650) 5.650 5.509 ( 0.000 -0.000 -7.469) 7.469 5.509 ( -0.000 -0.000 -7.469) 7.469 5.590 ( 0.000 0.000 -9.502) 9.502 5.702 ( 0.000 0.000 4.333) 4.333 5.792 ( 0.000 0.000 -4.399) 4.399 6.068 ( 0.000 -0.000 7.230) 7.230 6.167 ( -0.000 0.000 11.510) 11.510 6.167 ( 0.000 0.000 11.510) 11.510 6.223 ( -0.000 0.000 -7.938) 7.938 6.370 ( 0.000 0.000 -8.345) 8.345 6.370 ( -0.000 0.000 -8.345) 8.345 12.909 ( -0.000 0.000 1.070) 1.070 12.914 ( -0.000 0.000 1.616) 1.616 12.914 ( 0.000 0.000 1.616) 1.616 12.941 ( -0.000 0.000 -1.035) 1.035 12.941 ( 0.000 -0.000 -1.035) 1.035 12.945 ( 0.000 0.000 -2.587) 2.587 13.235 ( -0.000 0.000 2.365) 2.365 13.235 ( 0.000 0.000 2.365) 2.365 13.292 ( 0.000 0.000 -3.141) 3.141 13.292 ( 0.000 -0.000 -3.141) 3.141 13.317 ( 0.000 0.000 2.529) 2.529 13.362 ( 0.000 0.000 -1.869) 1.869 17.341 ( 0.000 0.000 0.154) 0.154 17.341 ( 0.000 0.000 0.154) 0.154 17.348 ( -0.000 0.000 -0.631) 0.631 17.348 ( -0.000 0.000 -0.631) 0.631 17.663 ( 0.000 0.000 3.281) 3.281 17.726 ( -0.000 0.000 -2.676) 2.676 17.805 ( 0.000 0.000 0.235) 0.235 17.805 ( 0.000 0.000 0.235) 0.235 17.815 ( 0.000 0.000 -0.713) 0.713 17.815 ( -0.000 -0.000 -0.713) 0.713 17.883 ( 0.000 0.000 4.097) 4.097 17.957 ( 0.000 0.000 -2.716) 2.716 18.082 ( 0.000 0.000 0.414) 0.414 18.102 ( 0.000 0.000 -1.739) 1.739 18.127 ( 0.000 0.000 1.164) 1.164 18.127 ( 0.000 0.000 1.164) 1.164 18.146 ( 0.000 0.000 -0.801) 0.801 18.146 ( 0.000 0.000 -0.801) 0.801 27.559 ( 0.000 0.000 0.694) 0.694 27.559 ( 0.000 0.000 0.694) 0.694 27.575 ( 0.000 -0.000 -0.846) 0.846 27.575 ( 0.000 0.000 -0.846) 0.846 27.698 ( -0.000 0.000 4.450) 4.450 27.807 ( -0.000 0.000 -6.108) 6.108 28.585 ( 0.000 0.000 3.816) 3.816 28.585 ( 0.000 -0.000 3.816) 3.816 28.644 ( 0.000 0.000 -1.871) 1.871 28.644 ( 0.000 0.000 -1.871) 1.871 29.619 ( 0.000 -0.000 0.478) 0.478 29.647 ( -0.000 0.000 -2.061) 2.061 30.730 ( 0.000 0.000 5.330) 5.330 30.730 ( 0.000 0.000 5.330) 5.330 30.833 ( -0.000 0.000 -4.887) 4.887 30.833 ( -0.000 0.000 -4.887) 4.887 33.601 ( 0.000 0.000 6.388) 6.388 33.685 ( -0.000 0.000 -1.885) 1.885 36.177 ( 0.000 0.000 2.123) 2.123 36.177 ( -0.000 0.000 2.123) 2.123 36.229 ( -0.000 0.000 -2.988) 2.988 36.229 ( 0.000 0.000 -2.988) 2.988 36.566 ( 0.000 0.000 9.571) 9.571 36.796 ( 0.000 0.000 -12.918) 12.918 ======================= Grid point 173 (34/40) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -4.104 -2.764 7.756) 9.200 1.571 ( -1.122 0.057 6.325) 6.424 1.611 ( -0.874 -0.130 -0.298) 0.933 1.643 ( 1.605 0.221 -0.805) 1.809 2.334 ( -1.695 -0.555 2.654) 3.198 2.362 ( -0.470 -0.732 1.045) 1.360 2.415 ( 3.156 -0.150 -0.932) 3.294 2.435 ( 1.789 3.240 -2.491) 4.461 2.633 ( 3.214 1.663 12.684) 13.190 2.885 ( 0.581 0.369 -9.219) 9.244 3.254 ( 1.620 1.392 11.245) 11.446 3.274 ( 3.168 1.259 12.919) 13.361 3.450 ( -1.491 -0.719 -2.173) 2.732 3.521 ( 3.068 2.000 -4.160) 5.543 3.540 ( 2.507 1.507 5.811) 6.506 3.558 ( 4.559 2.205 8.773) 10.130 3.853 ( -2.117 -1.102 -2.404) 3.387 3.886 ( -0.708 -1.492 -2.606) 3.085 3.909 ( -2.012 0.883 -6.197) 6.575 3.966 ( 1.381 -0.250 -9.142) 9.249 4.210 ( 3.006 1.948 7.374) 8.198 4.411 ( -1.040 -0.985 -7.842) 7.972 4.562 ( -0.606 -0.609 2.531) 2.672 4.612 ( -2.013 1.003 -1.994) 3.006 4.656 ( 5.518 -0.283 -4.104) 6.882 4.683 ( 4.124 4.159 -5.240) 7.859 4.985 ( -1.912 -1.083 4.856) 5.330 5.038 ( -4.709 -2.681 -0.045) 5.419 5.181 ( -7.646 -4.336 5.201) 10.214 5.326 ( -9.239 -5.607 -8.422) 13.701 5.352 ( -0.937 -0.288 6.039) 6.118 5.465 ( -3.664 -2.258 -4.696) 6.370 5.553 ( 3.208 1.992 6.200) 7.259 5.683 ( -0.283 -2.760 -1.780) 3.296 5.712 ( -1.494 3.333 -3.738) 5.226 5.718 ( 3.747 0.560 -2.624) 4.608 6.077 ( 0.018 0.302 6.620) 6.627 6.137 ( -1.734 -1.564 9.927) 10.198 6.179 ( -0.266 -0.096 -0.546) 0.615 6.293 ( 4.679 2.799 1.734) 5.722 6.328 ( -3.366 -1.890 -8.248) 9.106 6.402 ( 2.202 1.243 -5.959) 6.473 12.882 ( -1.266 -0.665 0.360) 1.474 12.888 ( -1.186 -0.802 0.147) 1.439 12.920 ( 0.380 0.389 1.865) 1.942 12.947 ( 0.603 0.120 -0.897) 1.087 12.977 ( 1.892 1.493 -0.480) 2.458 12.982 ( 2.188 0.972 -1.124) 2.645 13.229 ( -0.384 -0.500 2.354) 2.437 13.230 ( -0.549 -0.017 2.210) 2.278 13.274 ( -0.960 -0.700 -1.202) 1.690 13.286 ( -0.531 -0.148 -3.097) 3.145 13.323 ( 0.273 0.116 0.461) 0.548 13.356 ( -0.416 -0.232 -1.771) 1.834 17.313 ( -1.981 -1.133 0.146) 2.287 17.318 ( -2.134 -1.246 -0.389) 2.502 17.341 ( 0.047 0.018 0.119) 0.129 17.348 ( -0.024 -0.001 -0.577) 0.578 17.681 ( 1.266 0.732 2.931) 3.276 17.726 ( -0.402 -0.217 -0.108) 0.470 17.781 ( -1.000 -0.565 -0.464) 1.239 17.798 ( -0.534 -0.318 -0.792) 1.007 17.820 ( 1.178 0.575 0.396) 1.370 17.832 ( 1.215 0.771 -0.778) 1.636 17.927 ( 1.878 1.080 0.075) 2.168 17.946 ( -0.839 -0.462 -1.636) 1.895 18.085 ( 0.242 -0.016 0.511) 0.565 18.089 ( -0.397 0.022 0.305) 0.501 18.124 ( 0.018 -0.259 1.307) 1.333 18.143 ( -0.095 0.707 -0.148) 0.728 18.146 ( 0.395 -0.432 -0.538) 0.795 18.158 ( 1.146 0.733 -1.063) 1.726 27.556 ( -0.221 -0.134 0.944) 0.979 27.569 ( 0.510 0.467 0.544) 0.880 27.573 ( 0.069 -0.173 -0.492) 0.526 27.586 ( 0.817 0.519 -0.863) 1.297 27.701 ( 0.188 0.107 3.506) 3.513 27.793 ( -1.077 -0.622 -5.370) 5.512 28.597 ( 0.875 0.484 3.484) 3.624 28.633 ( 3.439 2.198 2.974) 5.050 28.649 ( 0.678 0.129 -1.408) 1.568 28.679 ( 2.766 1.670 -1.285) 3.478 29.557 ( -4.856 -2.807 0.836) 5.671 29.589 ( -4.567 -2.635 -2.193) 5.710 30.699 ( -2.167 -1.115 7.008) 7.420 30.728 ( -0.070 -0.267 5.560) 5.566 30.831 ( -0.492 0.582 -5.757) 5.807 30.840 ( 0.688 -0.376 -5.673) 5.727 33.599 ( -0.225 -0.125 5.716) 5.722 33.656 ( -2.104 -1.219 0.242) 2.444 36.168 ( -0.769 -0.249 2.607) 2.729 36.204 ( 2.443 0.567 2.710) 3.692 36.229 ( -0.254 0.688 -3.179) 3.263 36.279 ( 3.754 1.979 -4.472) 6.165 36.551 ( -1.180 -0.679 9.061) 9.163 36.775 ( -1.708 -0.986 -12.754) 12.906 ======================= Grid point 174 (35/40) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -4.998 -3.165 13.929) 15.133 1.546 ( -1.846 0.560 4.671) 5.054 1.596 ( -0.187 0.310 -0.242) 0.435 1.659 ( 0.603 -1.549 -4.674) 4.961 2.299 ( -2.197 1.035 2.746) 3.666 2.331 ( 0.275 -3.882 0.417) 3.914 2.472 ( 2.340 -0.371 0.369) 2.397 2.486 ( -0.623 4.299 -1.602) 4.630 2.749 ( 6.128 2.078 8.946) 11.041 2.920 ( 1.667 1.497 -4.302) 4.851 3.320 ( 2.587 2.541 11.366) 11.930 3.358 ( 3.895 0.593 0.916) 4.045 3.440 ( 1.313 1.222 4.811) 5.134 3.584 ( 0.982 0.654 -0.823) 1.438 3.618 ( 2.968 3.072 1.234) 4.446 3.678 ( 6.142 -0.025 -3.120) 6.889 3.822 ( -0.010 0.878 0.158) 0.892 3.870 ( -0.741 2.188 -3.100) 3.866 3.917 ( 0.379 1.055 0.314) 1.165 3.976 ( 0.425 -1.261 -5.860) 6.010 4.201 ( -3.560 -1.704 7.010) 8.045 4.378 ( -0.252 -2.962 -7.629) 8.187 4.536 ( -1.926 -0.179 3.572) 4.062 4.578 ( -1.807 -0.016 2.184) 2.835 4.704 ( -1.286 -1.738 -1.978) 2.931 4.774 ( -0.509 0.394 -3.993) 4.045 4.929 ( -0.120 -0.187 4.832) 4.837 4.974 ( 1.651 1.501 -0.320) 2.254 5.070 ( -3.012 -0.534 -0.476) 3.096 5.133 ( -4.920 -3.641 -7.395) 9.599 5.304 ( -2.623 -1.958 3.041) 4.468 5.351 ( -4.683 -3.285 -1.557) 5.928 5.538 ( -1.696 -0.939 6.740) 7.014 5.680 ( 1.575 -2.313 -5.225) 5.927 5.758 ( 2.039 5.555 2.773) 6.535 5.847 ( 5.678 3.087 -4.424) 7.832 6.024 ( -3.815 -2.081 7.285) 8.482 6.118 ( -0.066 -0.996 1.160) 1.531 6.164 ( -0.706 -0.183 -0.645) 0.973 6.220 ( -4.825 -3.107 -6.829) 8.921 6.391 ( 2.770 1.885 2.919) 4.444 6.451 ( 1.585 0.880 -2.742) 3.287 12.859 ( -0.649 -0.326 0.151) 0.742 12.864 ( -0.631 -0.453 -0.146) 0.790 12.933 ( 0.447 0.562 2.431) 2.535 12.961 ( 0.690 0.044 -0.404) 0.801 13.027 ( 1.608 1.475 -0.857) 2.344 13.028 ( 1.733 0.560 -1.065) 2.109 13.210 ( -0.743 -0.788 2.251) 2.498 13.216 ( -0.870 -0.217 2.460) 2.618 13.252 ( -0.688 -0.448 -1.082) 1.358 13.273 ( -0.628 -0.126 -2.972) 3.041 13.325 ( -0.010 -0.228 -0.123) 0.259 13.348 ( -0.209 -0.025 -1.680) 1.694 17.265 ( -1.766 -0.847 0.043) 1.959 17.266 ( -1.705 -1.171 -0.195) 2.078 17.343 ( 0.087 0.055 0.086) 0.134 17.347 ( -0.045 -0.014 -0.401) 0.404 17.698 ( -0.543 -0.225 3.325) 3.376 17.719 ( 0.722 0.388 2.248) 2.392 17.779 ( 0.031 0.080 -2.650) 2.652 17.787 ( -0.017 -0.112 -2.345) 2.348 17.851 ( 1.360 0.465 0.463) 1.510 17.863 ( 1.020 0.749 -0.632) 1.415 17.925 ( -0.640 -0.501 -0.123) 0.822 17.947 ( -0.237 0.132 -1.892) 1.911 18.083 ( 0.094 0.035 1.038) 1.043 18.094 ( -0.164 0.380 -0.059) 0.418 18.130 ( 1.052 -0.362 0.900) 1.431 18.147 ( -0.056 0.593 -0.690) 0.911 18.154 ( 0.529 0.183 1.013) 1.157 18.178 ( 0.259 0.159 -1.172) 1.211 27.551 ( -0.153 -0.052 1.126) 1.137 27.564 ( -0.340 -0.233 -0.147) 0.438 27.594 ( 0.993 0.486 0.791) 1.359 27.610 ( 0.902 0.628 -0.782) 1.350 27.708 ( 0.452 0.246 1.307) 1.405 27.761 ( -1.470 -0.855 -3.665) 4.040 28.622 ( 1.109 0.601 2.518) 2.817 28.652 ( -0.006 0.120 -0.353) 0.373 28.748 ( 4.990 2.466 1.722) 5.826 28.767 ( 3.860 2.572 -0.174) 4.641 29.416 ( -5.866 -3.393 1.251) 6.891 29.451 ( -6.011 -3.484 -2.203) 7.289 30.650 ( -1.693 -0.763 9.373) 9.555 30.723 ( 0.068 -0.549 5.736) 5.763 30.830 ( -1.144 2.124 -7.545) 7.922 30.845 ( 1.175 -1.723 -6.056) 6.405 33.585 ( -1.146 -0.560 5.273) 5.425 33.610 ( -1.035 -0.698 2.890) 3.148 36.150 ( -0.712 -0.193 3.377) 3.457 36.221 ( 0.288 -0.800 -3.260) 3.369 36.283 ( 3.053 2.943 3.413) 5.444 36.372 ( 3.149 1.313 -4.240) 5.443 36.520 ( -0.839 -0.407 5.569) 5.646 36.718 ( -2.886 -1.672 -12.286) 12.731 ======================= Grid point 175 (36/40) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 0.000 17.341) 17.341 1.530 ( 0.000 0.000 3.882) 3.882 1.607 ( 0.000 -0.000 0.376) 0.376 1.644 ( 0.000 0.000 -7.888) 7.888 2.284 ( 0.000 0.000 2.345) 2.345 2.310 ( 0.000 -0.000 0.805) 0.805 2.486 ( 0.000 0.000 0.779) 0.779 2.506 ( 0.000 0.000 -1.222) 1.222 2.827 ( 0.000 -0.000 6.756) 6.756 2.947 ( 0.000 0.000 -2.307) 2.307 3.366 ( -0.000 -0.000 2.343) 2.343 3.388 ( 0.000 0.000 10.832) 10.832 3.512 ( 0.000 0.000 0.583) 0.583 3.556 ( 0.000 0.000 1.752) 1.752 3.663 ( 0.000 0.000 -1.917) 1.917 3.748 ( 0.000 0.000 -7.213) 7.213 3.850 ( 0.000 0.000 1.951) 1.951 3.884 ( 0.000 -0.000 0.093) 0.093 3.925 ( 0.000 0.000 -0.765) 0.765 3.969 ( 0.000 0.000 -3.600) 3.600 4.137 ( 0.000 0.000 8.543) 8.543 4.355 ( 0.000 0.000 -9.985) 9.985 4.496 ( 0.000 0.000 4.890) 4.890 4.558 ( 0.000 0.000 6.068) 6.068 4.663 ( 0.000 0.000 -3.159) 3.159 4.741 ( 0.000 0.000 -5.110) 5.110 4.977 ( 0.000 0.000 6.570) 6.570 5.018 ( 0.000 -0.000 -3.004) 3.004 5.020 ( -0.000 0.000 -2.429) 2.429 5.090 ( 0.000 -0.000 -4.410) 4.410 5.260 ( 0.000 -0.000 1.415) 1.415 5.276 ( 0.000 0.000 -0.344) 0.344 5.518 ( 0.000 0.000 7.537) 7.537 5.680 ( 0.000 0.000 -7.266) 7.266 5.832 ( 0.000 0.000 9.343) 9.343 5.920 ( 0.000 0.000 0.016) 0.016 5.989 ( 0.000 0.000 -1.433) 1.433 6.074 ( 0.000 -0.000 -10.051) 10.051 6.151 ( 0.000 0.000 0.859) 0.859 6.160 ( 0.000 -0.000 0.524) 0.524 6.426 ( 0.000 -0.000 2.938) 2.938 6.471 ( 0.000 0.000 -1.581) 1.581 12.852 ( 0.000 0.000 0.071) 0.071 12.856 ( 0.000 0.000 -0.172) 0.172 12.942 ( 0.000 0.000 2.769) 2.769 12.968 ( 0.000 0.000 -0.044) 0.044 13.048 ( 0.000 -0.000 -1.237) 1.237 13.053 ( 0.000 0.000 -1.495) 1.495 13.197 ( 0.000 -0.000 2.337) 2.337 13.203 ( 0.000 0.000 2.879) 2.879 13.244 ( 0.000 -0.000 -1.286) 1.286 13.265 ( 0.000 0.000 -3.130) 3.130 13.323 ( 0.000 -0.000 0.030) 0.030 13.346 ( 0.000 0.000 -1.694) 1.694 17.243 ( -0.000 0.000 -0.046) 0.046 17.243 ( 0.000 -0.000 -0.148) 0.148 17.345 ( -0.000 0.000 0.023) 0.023 17.346 ( 0.000 -0.000 -0.269) 0.269 17.689 ( 0.000 0.000 3.713) 3.713 17.731 ( 0.000 0.000 2.019) 2.019 17.776 ( 0.000 0.000 -3.141) 3.141 17.790 ( 0.000 0.000 -2.558) 2.558 17.868 ( 0.000 0.000 0.136) 0.136 17.876 ( 0.000 0.000 0.060) 0.060 17.917 ( 0.000 0.000 -0.139) 0.139 17.940 ( 0.000 0.000 -1.796) 1.796 18.088 ( 0.000 0.000 0.816) 0.816 18.090 ( -0.000 -0.000 0.501) 0.501 18.140 ( 0.000 0.000 0.414) 0.414 18.151 ( 0.000 0.000 -0.461) 0.461 18.167 ( -0.000 -0.000 0.073) 0.073 18.173 ( 0.000 0.000 -0.404) 0.404 27.550 ( 0.000 0.000 1.018) 1.018 27.558 ( 0.000 0.000 0.202) 0.202 27.607 ( 0.000 0.000 0.950) 0.950 27.623 ( 0.000 0.000 -0.627) 0.627 27.722 ( 0.000 0.000 -0.944) 0.944 27.731 ( 0.000 0.000 -1.827) 1.827 28.640 ( 0.000 0.000 1.371) 1.371 28.649 ( -0.000 -0.000 0.790) 0.790 28.818 ( 0.000 0.000 1.481) 1.481 28.829 ( 0.000 0.000 0.238) 0.238 29.334 ( 0.000 0.000 0.862) 0.862 29.361 ( 0.000 0.000 -1.760) 1.760 30.630 ( 0.000 0.000 10.289) 10.289 30.720 ( 0.000 0.000 5.710) 5.710 30.831 ( 0.000 0.000 -8.567) 8.567 30.847 ( 0.000 0.000 -5.793) 5.793 33.566 ( 0.000 0.000 6.303) 6.303 33.600 ( 0.000 0.000 2.678) 2.678 36.142 ( 0.000 0.000 3.713) 3.713 36.219 ( 0.000 0.000 -3.693) 3.693 36.359 ( 0.000 0.000 1.870) 1.870 36.373 ( 0.000 -0.000 4.801) 4.801 36.530 ( 0.000 0.000 -2.696) 2.696 36.667 ( 0.000 0.000 -11.924) 11.924 ======================= Grid point 180 (37/40) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -4.034 -6.103 10.862) 13.096 1.536 ( 0.771 -1.541 7.447) 7.644 1.595 ( -0.529 -0.978 -2.116) 2.390 1.669 ( -0.580 1.245 -2.976) 3.277 2.281 ( -0.808 -2.967 3.381) 4.570 2.342 ( -3.665 -2.361 -1.904) 4.757 2.466 ( 3.272 4.618 2.793) 6.312 2.536 ( 5.198 4.666 -3.250) 7.704 2.680 ( 0.395 3.859 11.786) 12.408 2.907 ( 1.143 1.385 -6.633) 6.872 3.308 ( 3.280 3.405 4.744) 6.698 3.346 ( 1.263 5.989 14.530) 15.766 3.432 ( 0.590 -0.326 -2.725) 2.807 3.583 ( 2.589 1.905 2.463) 4.049 3.586 ( 1.464 2.905 -1.423) 3.551 3.642 ( 1.118 6.240 2.950) 6.992 3.822 ( -1.040 -1.650 -1.978) 2.778 3.860 ( 1.329 -2.003 -5.385) 5.897 3.899 ( 0.157 -0.171 2.345) 2.356 3.989 ( -0.425 1.262 -8.048) 8.158 4.225 ( -0.397 -2.004 5.846) 6.193 4.358 ( -3.795 -3.106 -4.695) 6.789 4.570 ( -1.252 -0.107 3.100) 3.346 4.594 ( 2.417 -0.531 -0.954) 2.652 4.702 ( -0.776 1.441 -2.756) 3.206 4.766 ( 1.937 1.769 -3.929) 4.724 4.939 ( -2.555 -4.355 4.120) 6.517 4.969 ( 0.914 0.857 0.989) 1.596 5.086 ( -1.694 -3.966 0.811) 4.388 5.171 ( -4.220 -6.738 -7.444) 10.892 5.330 ( -1.509 -1.968 4.215) 4.891 5.406 ( -2.458 -3.573 -3.285) 5.440 5.539 ( -1.725 -3.056 5.300) 6.356 5.621 ( -2.248 -1.512 -0.974) 2.878 5.759 ( 4.130 3.829 0.059) 5.632 5.821 ( 3.115 5.222 -4.594) 7.621 6.071 ( -0.312 -3.957 6.725) 7.809 6.104 ( -1.793 1.622 4.443) 5.059 6.166 ( -0.524 -1.158 -1.348) 1.852 6.257 ( -2.614 -4.345 -7.541) 9.088 6.366 ( 2.171 3.207 2.896) 4.836 6.438 ( 0.933 1.696 -3.594) 4.082 12.864 ( -0.415 -0.812 0.206) 0.935 12.870 ( -0.558 -0.788 -0.208) 0.988 12.926 ( 0.353 0.209 2.461) 2.495 12.961 ( 0.292 1.007 -0.974) 1.431 13.011 ( 1.288 1.877 -0.215) 2.286 13.022 ( 1.154 2.157 -1.137) 2.697 13.205 ( -1.128 -1.795 2.246) 3.088 13.226 ( -0.061 -0.296 1.648) 1.676 13.266 ( -0.942 -0.054 -1.030) 1.397 13.272 ( 0.365 -1.117 -1.958) 2.283 13.325 ( -0.187 0.024 -0.338) 0.387 13.349 ( -0.125 -0.349 -1.771) 1.810 17.274 ( -1.200 -2.136 0.241) 2.462 17.281 ( -1.189 -1.976 -0.492) 2.358 17.341 ( 0.015 0.017 0.253) 0.254 17.348 ( -0.024 -0.061 -0.495) 0.499 17.704 ( 0.748 1.142 2.586) 2.924 17.713 ( -0.464 -0.756 2.805) 2.941 17.777 ( 0.198 0.290 -2.483) 2.508 17.786 ( -0.386 -0.538 -1.810) 1.928 17.844 ( 0.568 1.414 0.207) 1.538 17.855 ( 0.838 1.243 -0.886) 1.741 17.928 ( -0.527 -0.770 -0.091) 0.937 17.949 ( 0.381 0.324 -1.806) 1.874 18.085 ( 0.046 0.212 0.978) 1.002 18.096 ( 0.835 0.272 0.005) 0.879 18.122 ( -0.919 0.359 0.938) 1.361 18.138 ( 0.512 -0.055 0.040) 0.517 18.155 ( 0.123 0.279 0.263) 0.403 18.177 ( 0.430 0.715 -1.212) 1.472 27.550 ( -0.175 -0.341 1.113) 1.177 27.564 ( -0.312 -0.517 -0.271) 0.661 27.590 ( 0.649 1.268 0.749) 1.609 27.607 ( 0.833 1.288 -0.907) 1.782 27.704 ( 0.111 0.213 2.058) 2.072 27.770 ( -0.849 -1.463 -4.187) 4.516 28.623 ( 1.024 1.891 2.880) 3.594 28.661 ( 0.883 0.950 -0.655) 1.453 28.706 ( 1.850 4.306 1.896) 5.055 28.731 ( 2.124 3.025 -0.428) 3.721 29.454 ( -3.686 -6.365 1.286) 7.467 29.491 ( -3.568 -6.174 -2.372) 7.515 30.665 ( -0.736 -1.734 9.387) 9.574 30.723 ( -0.577 0.107 4.864) 4.899 30.813 ( 0.031 -1.589 -4.309) 4.593 30.861 ( 0.335 1.566 -8.469) 8.619 33.593 ( -0.178 -0.460 4.794) 4.819 33.615 ( -1.358 -2.203 2.882) 3.873 36.160 ( 0.017 -0.610 2.805) 2.871 36.203 ( -1.013 -0.141 -0.294) 1.064 36.275 ( 2.694 3.044 1.100) 4.211 36.353 ( 2.338 4.766 -6.094) 8.082 36.524 ( -1.026 -1.853 7.818) 8.099 36.735 ( -1.605 -2.775 -12.457) 12.863 ======================= Grid point 181 (38/40) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -1.695 -4.236 15.556) 16.211 1.541 ( -1.197 0.641 6.222) 6.369 1.594 ( 2.803 -0.765 -4.789) 5.602 1.646 ( -1.985 -0.586 -4.656) 5.095 2.244 ( -0.393 -3.323 2.851) 4.396 2.272 ( 0.749 -2.676 1.563) 3.188 2.545 ( -0.892 4.898 3.474) 6.070 2.623 ( -4.055 7.976 -2.242) 9.224 2.768 ( 6.112 1.022 6.750) 9.163 2.928 ( 0.720 -1.943 -4.308) 4.781 3.397 ( 0.293 4.338 0.328) 4.360 3.423 ( -0.106 5.360 13.409) 14.441 3.489 ( 3.452 3.248 -0.693) 4.790 3.587 ( -2.334 0.428 0.900) 2.537 3.653 ( 2.596 -1.283 -5.333) 6.069 3.713 ( 1.829 4.603 2.782) 5.680 3.821 ( 1.994 -1.991 0.653) 2.893 3.869 ( 0.083 -2.944 -1.459) 3.286 3.880 ( 0.832 -4.292 4.957) 6.610 3.996 ( -0.248 1.959 -10.033) 10.225 4.159 ( -2.948 -1.248 5.110) 6.030 4.267 ( 0.718 -5.498 -1.953) 5.878 4.558 ( -0.303 1.118 3.714) 3.890 4.598 ( -4.145 1.272 -3.112) 5.337 4.651 ( 0.164 -2.449 -2.185) 3.286 4.742 ( -1.578 -2.929 -4.268) 5.412 4.954 ( 2.865 2.178 5.590) 6.648 5.004 ( -0.968 -0.627 1.115) 1.604 5.062 ( 1.513 0.659 -1.814) 2.452 5.085 ( -1.481 0.160 -5.460) 5.659 5.281 ( -1.584 0.471 2.192) 2.745 5.315 ( -3.945 -0.356 -1.165) 4.128 5.491 ( 0.795 -3.639 6.581) 7.562 5.596 ( 1.866 -4.020 -1.545) 4.693 5.874 ( 2.918 4.390 -0.243) 5.277 5.918 ( 1.857 2.233 -1.964) 3.506 5.985 ( -3.389 -1.180 4.183) 5.511 6.105 ( -1.022 -0.428 -4.917) 5.040 6.145 ( -0.138 -1.264 0.182) 1.285 6.171 ( -2.050 -0.919 -2.163) 3.119 6.418 ( 1.028 0.851 2.479) 2.815 6.460 ( 0.658 -0.324 -1.629) 1.786 12.853 ( -0.187 -0.195 0.010) 0.270 12.857 ( -0.217 -0.275 -0.210) 0.408 12.932 ( 0.372 -0.385 3.076) 3.122 12.976 ( 0.069 0.974 -0.951) 1.362 13.048 ( 0.591 1.425 -0.467) 1.612 13.061 ( 0.586 1.558 -1.362) 2.151 13.165 ( -0.254 -2.463 2.577) 3.574 13.221 ( 0.204 -0.698 -1.306) 1.495 13.244 ( -1.196 0.294 0.677) 1.405 13.274 ( 0.119 0.045 -0.338) 0.361 13.322 ( -0.080 0.160 -0.760) 0.781 13.344 ( 0.008 -0.394 -1.919) 1.959 17.240 ( -0.496 -1.054 0.235) 1.188 17.248 ( -0.636 -0.705 -0.583) 1.114 17.342 ( 0.137 -0.036 0.146) 0.204 17.346 ( -0.044 -0.133 -0.222) 0.263 17.700 ( -0.687 0.443 3.468) 3.563 17.724 ( 0.655 -0.040 2.499) 2.584 17.777 ( -0.230 -0.075 -2.897) 2.907 17.786 ( 0.384 -0.032 -2.708) 2.735 17.863 ( 0.313 0.605 -0.136) 0.695 17.876 ( 0.471 0.299 -1.200) 1.323 17.916 ( -0.211 -0.169 1.093) 1.126 17.950 ( -0.330 0.128 -1.921) 1.953 18.092 ( 0.033 0.737 1.169) 1.382 18.104 ( -0.944 0.493 0.184) 1.080 18.122 ( 1.226 -0.389 0.960) 1.605 18.146 ( 0.302 -0.134 -1.198) 1.243 18.163 ( 0.513 0.303 0.633) 0.869 18.179 ( -0.463 -0.258 -0.727) 0.899 27.546 ( 0.087 -0.306 0.975) 1.026 27.553 ( -0.066 -0.590 0.211) 0.630 27.613 ( 0.256 1.088 1.022) 1.515 27.633 ( 0.155 1.353 -0.946) 1.658 27.711 ( 0.666 0.079 -0.024) 0.671 27.737 ( -0.974 -1.282 -2.448) 2.930 28.660 ( -0.074 2.905 1.907) 3.476 28.679 ( -1.168 2.470 0.103) 2.734 28.779 ( 3.121 0.053 1.934) 3.672 28.798 ( 2.431 -0.208 -0.049) 2.440 29.339 ( -2.106 -3.125 0.893) 3.872 29.368 ( -2.753 -3.860 -1.999) 5.145 30.641 ( -0.778 -0.085 11.590) 11.616 30.721 ( 0.040 0.643 3.697) 3.752 30.795 ( 0.458 -2.569 -2.814) 3.838 30.881 ( -0.369 2.084 -10.680) 10.888 33.573 ( -1.035 -0.474 5.331) 5.451 33.589 ( 0.390 -1.068 3.600) 3.775 36.152 ( -0.627 0.298 2.879) 2.961 36.193 ( 0.819 -1.479 -0.640) 1.808 36.358 ( 2.437 3.335 3.667) 5.523 36.415 ( -2.115 2.914 -1.541) 3.916 36.503 ( 1.860 -1.289 -0.081) 2.265 36.670 ( -1.723 -2.652 -12.175) 12.579 ======================= Grid point 182 (39/40) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 4.665 -0.680 15.374) 16.081 1.523 ( -0.936 0.994 3.966) 4.195 1.601 ( -0.876 -1.496 -1.459) 2.266 1.656 ( 2.560 0.469 -5.746) 6.308 2.233 ( 2.154 -1.270 4.519) 5.165 2.293 ( 3.794 -2.502 -0.001) 4.545 2.539 ( -4.317 3.550 3.491) 6.591 2.598 ( -6.253 6.577 -0.583) 9.094 2.798 ( -3.144 -3.819 4.476) 6.671 2.917 ( 1.295 -1.424 -3.181) 3.718 3.391 ( -5.278 1.256 6.038) 8.117 3.424 ( -2.272 3.852 -1.813) 4.826 3.493 ( -5.228 -1.693 8.846) 10.413 3.598 ( 0.366 1.455 -0.595) 1.614 3.640 ( -1.264 -1.176 -0.189) 1.736 3.777 ( -4.078 -1.983 2.634) 5.244 3.794 ( 1.651 -1.345 -1.739) 2.750 3.825 ( 0.905 -1.697 -2.182) 2.908 3.874 ( 3.155 -1.632 3.543) 5.017 3.996 ( -0.638 1.047 -10.829) 10.899 4.162 ( 2.182 1.290 7.407) 7.829 4.293 ( 6.182 -4.076 -3.530) 8.204 4.557 ( -0.795 1.302 1.482) 2.127 4.583 ( -0.305 3.794 2.216) 4.404 4.661 ( 2.775 -0.792 -3.604) 4.617 4.737 ( 2.943 -0.125 -5.177) 5.957 4.951 ( -3.080 -1.243 5.084) 6.073 5.011 ( 2.493 0.029 1.810) 3.081 5.030 ( -4.025 0.898 -2.845) 5.010 5.102 ( 1.011 0.202 -4.939) 5.046 5.289 ( 0.677 1.389 2.342) 2.806 5.321 ( 2.713 3.146 -1.034) 4.280 5.491 ( 2.833 -2.513 6.321) 7.369 5.600 ( 3.156 -4.090 -2.067) 5.564 5.851 ( -6.107 1.043 2.976) 6.873 5.919 ( -2.949 -0.437 -1.849) 3.508 5.997 ( 2.051 1.080 1.274) 2.645 6.097 ( 1.868 1.386 -6.620) 7.017 6.151 ( 0.407 -0.576 1.430) 1.595 6.176 ( 2.432 0.938 -1.378) 2.949 6.416 ( -1.430 -0.419 2.462) 2.878 6.460 ( -0.033 -0.730 -1.686) 1.837 12.853 ( 0.240 0.069 0.051) 0.255 12.857 ( 0.395 0.038 -0.277) 0.484 12.931 ( -0.006 -0.440 3.130) 3.161 12.978 ( -0.694 0.338 -1.199) 1.426 13.051 ( -1.711 0.165 -0.394) 1.764 13.057 ( -1.494 0.331 -0.934) 1.793 13.167 ( 2.290 -1.040 2.145) 3.306 13.222 ( 0.585 -0.789 -1.651) 1.921 13.242 ( 0.219 1.518 1.016) 1.840 13.273 ( -0.199 -0.103 0.046) 0.229 13.324 ( 0.053 0.121 -1.059) 1.067 13.343 ( 0.278 -0.201 -1.845) 1.876 17.239 ( 1.134 -0.082 0.268) 1.168 17.249 ( 0.965 0.179 -0.625) 1.163 17.342 ( -0.040 -0.133 0.189) 0.235 17.346 ( 0.129 -0.028 -0.258) 0.290 17.699 ( -0.115 0.789 3.450) 3.541 17.725 ( -0.258 -0.547 2.504) 2.576 17.776 ( 0.108 0.124 -2.920) 2.925 17.787 ( -0.063 -0.318 -2.730) 2.750 17.866 ( -0.435 -0.096 -0.278) 0.525 17.875 ( -0.624 -0.168 -0.708) 0.959 17.917 ( 0.327 0.019 0.756) 0.824 17.947 ( -0.123 0.457 -1.882) 1.941 18.092 ( -0.703 0.307 0.963) 1.232 18.098 ( -0.333 0.765 0.582) 1.017 18.129 ( 0.401 -1.003 0.544) 1.209 18.147 ( -0.176 -0.348 -1.019) 1.091 18.160 ( -0.582 -0.154 0.851) 1.042 18.179 ( 0.409 0.231 -0.894) 1.010 27.545 ( 0.203 -0.209 1.015) 1.056 27.554 ( 0.568 -0.260 0.171) 0.648 27.613 ( -1.025 0.302 0.970) 1.443 27.632 ( -1.313 0.571 -0.869) 1.674 27.711 ( -0.397 -0.543 -0.054) 0.675 27.737 ( 1.608 0.203 -2.445) 2.933 28.662 ( -2.524 1.555 1.764) 3.450 28.677 ( -1.559 2.127 0.472) 2.679 28.788 ( -1.495 -2.935 0.898) 3.414 28.790 ( -1.108 -1.864 0.751) 2.295 29.339 ( 3.777 0.275 0.939) 3.902 29.369 ( 4.717 0.434 -2.025) 5.151 30.639 ( 0.313 0.655 11.316) 11.339 30.728 ( -0.209 0.277 4.525) 4.538 30.787 ( 1.414 -1.491 -3.530) 4.084 30.885 ( -1.263 1.160 -10.532) 10.671 33.572 ( 0.813 0.576 5.488) 5.577 33.591 ( 0.843 -0.788 3.450) 3.638 36.149 ( -0.096 0.636 3.074) 3.140 36.197 ( 1.271 -1.497 -1.254) 2.330 36.349 ( -4.404 0.174 4.414) 6.238 36.425 ( -1.411 2.954 -2.281) 3.990 36.499 ( 0.182 -2.429 0.323) 2.457 36.670 ( 3.157 0.160 -12.168) 12.572 ======================= Grid point 187 (40/40) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -0.000 -0.000 16.172) 16.172 1.582 ( -1.078 -2.155 4.216) 4.856 1.582 ( 1.078 2.155 4.216) 4.856 1.609 ( -0.000 -0.000 -14.412) 14.412 2.222 ( -0.653 -1.306 4.276) 4.519 2.222 ( 0.653 1.306 4.276) 4.519 2.604 ( 0.000 -0.000 5.903) 5.903 2.738 ( -0.000 -0.000 -5.889) 5.889 2.833 ( -2.364 -4.727 1.550) 5.508 2.833 ( 2.364 4.727 1.550) 5.508 3.485 ( 0.000 -0.000 10.981) 10.981 3.508 ( -1.195 -2.390 -6.837) 7.341 3.508 ( 1.195 2.390 -6.837) 7.341 3.594 ( 0.000 -0.000 9.159) 9.159 3.647 ( -0.000 -0.000 2.126) 2.126 3.767 ( -0.730 -1.460 1.145) 1.994 3.767 ( 0.730 1.460 1.145) 1.994 3.816 ( -0.463 -0.926 4.153) 4.281 3.816 ( 0.463 0.926 4.153) 4.281 4.022 ( -0.000 -0.000 -18.352) 18.352 4.174 ( -1.340 -2.679 4.397) 5.320 4.174 ( 1.340 2.679 4.397) 5.320 4.579 ( 0.000 -0.000 5.593) 5.593 4.614 ( -0.642 -1.283 -6.354) 6.514 4.614 ( 0.642 1.283 -6.354) 6.514 4.703 ( 0.000 -0.000 -5.535) 5.535 4.986 ( -0.331 -0.663 5.145) 5.198 4.986 ( 0.331 0.663 5.145) 5.198 5.087 ( -0.443 -0.886 -3.462) 3.601 5.087 ( 0.443 0.886 -3.462) 3.601 5.313 ( -0.330 -0.661 -0.012) 0.739 5.313 ( 0.330 0.661 -0.012) 0.739 5.419 ( -0.000 -0.000 9.147) 9.147 5.553 ( -0.000 -0.000 -1.702) 1.702 5.931 ( -0.463 -0.926 0.339) 1.090 5.931 ( 0.463 0.926 0.339) 1.090 5.972 ( 0.000 0.000 0.344) 0.344 6.096 ( 0.000 -0.000 -9.839) 9.839 6.150 ( -0.379 -0.758 1.711) 1.909 6.150 ( 0.379 0.758 1.711) 1.909 6.440 ( -0.568 -1.135 0.226) 1.289 6.440 ( 0.568 1.135 0.226) 1.289 12.853 ( -0.049 -0.099 -0.173) 0.205 12.853 ( 0.049 0.099 -0.173) 0.205 12.928 ( -0.000 -0.000 3.542) 3.542 12.987 ( -0.000 -0.000 -1.904) 1.904 13.077 ( -0.175 -0.350 -0.423) 0.576 13.077 ( 0.175 0.350 -0.423) 0.576 13.129 ( 0.000 -0.000 2.576) 2.576 13.204 ( -0.000 -0.000 -4.258) 4.258 13.263 ( -0.436 -0.873 2.170) 2.380 13.263 ( 0.436 0.873 2.170) 2.380 13.332 ( -0.291 -0.582 -2.022) 2.124 13.332 ( 0.291 0.582 -2.022) 2.124 17.228 ( -0.000 -0.000 0.318) 0.318 17.240 ( -0.000 -0.000 -0.850) 0.850 17.343 ( -0.051 -0.102 0.059) 0.129 17.343 ( 0.051 0.102 0.059) 0.129 17.714 ( -0.354 -0.708 3.055) 3.156 17.714 ( 0.354 0.708 3.055) 3.156 17.781 ( -0.170 -0.341 -2.907) 2.932 17.781 ( 0.170 0.341 -2.907) 2.932 17.874 ( -0.179 -0.358 -1.065) 1.137 17.874 ( 0.179 0.358 -1.065) 1.137 17.916 ( -0.000 -0.000 1.673) 1.673 17.952 ( -0.000 -0.000 -1.783) 1.783 18.109 ( 0.000 -0.000 1.732) 1.732 18.111 ( -0.211 -0.422 0.766) 0.899 18.111 ( 0.211 0.422 0.766) 0.899 18.143 ( -0.000 -0.000 -1.587) 1.587 18.170 ( -0.204 -0.408 -0.300) 0.546 18.170 ( 0.204 0.408 -0.300) 0.546 27.544 ( -0.096 -0.191 0.627) 0.662 27.544 ( 0.096 0.191 0.627) 0.662 27.626 ( -0.000 -0.000 1.238) 1.238 27.652 ( -0.000 -0.000 -1.272) 1.272 27.715 ( -0.249 -0.498 -1.172) 1.298 27.715 ( 0.249 0.498 -1.172) 1.298 28.712 ( 0.000 -0.000 1.780) 1.780 28.733 ( 0.000 0.000 -0.223) 0.223 28.764 ( -0.247 -0.494 1.296) 1.409 28.764 ( 0.247 0.494 1.296) 1.409 29.314 ( -0.413 -0.825 -0.728) 1.175 29.314 ( 0.413 0.825 -0.728) 1.175 30.642 ( -0.000 -0.000 13.334) 13.334 30.748 ( -0.776 -1.552 0.577) 1.829 30.748 ( 0.776 1.552 0.577) 1.829 30.905 ( -0.000 -0.000 -12.485) 12.485 33.572 ( -0.212 -0.424 4.616) 4.640 33.572 ( 0.212 0.424 4.616) 4.640 36.165 ( -0.490 -0.980 1.421) 1.794 36.165 ( 0.490 0.980 1.421) 1.794 36.400 ( -0.000 -0.000 10.155) 10.155 36.470 ( -0.723 -1.446 -4.117) 4.423 36.470 ( 0.723 1.446 -4.117) 4.423 36.633 ( -0.000 -0.000 -12.820) 12.820 =================== 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 3/31104 10.0 22.701 22.701 26.777 0.000 0.000 0.000 3/31104 20.0 4.681 4.681 9.108 0.000 0.000 0.000 3/31104 30.0 2.251 2.251 5.150 0.000 0.000 0.000 3/31104 40.0 1.433 1.433 3.614 0.000 0.000 0.000 3/31104 50.0 1.049 1.049 2.807 0.000 0.000 0.000 3/31104 60.0 0.834 0.834 2.310 0.000 0.000 0.000 3/31104 70.0 0.698 0.698 1.972 0.000 0.000 0.000 3/31104 80.0 0.604 0.604 1.727 0.000 0.000 0.000 3/31104 90.0 0.535 0.535 1.541 -0.000 0.000 0.000 3/31104 100.0 0.482 0.482 1.393 -0.000 0.000 0.000 3/31104 110.0 0.439 0.439 1.273 -0.000 0.000 0.000 3/31104 120.0 0.404 0.404 1.173 -0.000 0.000 0.000 3/31104 130.0 0.374 0.374 1.089 -0.000 0.000 0.000 3/31104 140.0 0.349 0.349 1.017 -0.000 0.000 0.000 3/31104 150.0 0.327 0.327 0.955 -0.000 0.000 0.000 3/31104 160.0 0.308 0.308 0.900 -0.000 0.000 0.000 3/31104 170.0 0.291 0.291 0.852 -0.000 0.000 0.000 3/31104 180.0 0.277 0.277 0.809 -0.000 0.000 0.000 3/31104 190.0 0.263 0.263 0.771 -0.000 0.000 0.000 3/31104 200.0 0.251 0.251 0.737 -0.000 0.000 0.000 3/31104 210.0 0.241 0.241 0.706 -0.000 0.000 0.000 3/31104 220.0 0.231 0.231 0.678 -0.000 0.000 0.000 3/31104 230.0 0.222 0.222 0.652 -0.000 0.000 0.000 3/31104 240.0 0.214 0.214 0.629 -0.000 0.000 0.000 3/31104 250.0 0.206 0.206 0.608 -0.000 0.000 0.000 3/31104 260.0 0.200 0.200 0.589 -0.000 0.000 0.000 3/31104 270.0 0.193 0.193 0.571 -0.000 0.000 0.000 3/31104 280.0 0.187 0.187 0.554 -0.000 0.000 0.000 3/31104 290.0 0.182 0.182 0.539 -0.000 0.000 0.000 3/31104 300.0 0.177 0.177 0.524 -0.000 0.000 0.000 3/31104 310.0 0.172 0.172 0.511 -0.000 0.000 0.000 3/31104 320.0 0.168 0.168 0.499 -0.000 0.000 0.000 3/31104 330.0 0.163 0.163 0.487 -0.000 0.000 0.000 3/31104 340.0 0.160 0.160 0.476 0.000 0.000 0.000 3/31104 350.0 0.156 0.156 0.466 0.000 0.000 0.000 3/31104 360.0 0.152 0.152 0.456 0.000 0.000 0.000 3/31104 370.0 0.149 0.149 0.447 0.000 0.000 0.000 3/31104 380.0 0.146 0.146 0.438 0.000 0.000 0.000 3/31104 390.0 0.143 0.143 0.430 0.000 0.000 0.000 3/31104 400.0 0.140 0.140 0.422 0.000 0.000 0.000 3/31104 410.0 0.137 0.137 0.415 0.000 0.000 0.000 3/31104 420.0 0.135 0.135 0.408 0.000 0.000 0.000 3/31104 430.0 0.132 0.132 0.401 0.000 0.000 0.000 3/31104 440.0 0.130 0.130 0.394 0.000 0.000 0.000 3/31104 450.0 0.128 0.128 0.388 0.000 0.000 0.000 3/31104 460.0 0.125 0.125 0.382 0.000 0.000 0.000 3/31104 470.0 0.123 0.123 0.376 0.000 0.000 0.000 3/31104 480.0 0.121 0.121 0.370 0.000 0.000 0.000 3/31104 490.0 0.119 0.119 0.365 0.000 0.000 0.000 3/31104 500.0 0.117 0.117 0.360 0.000 0.000 0.000 3/31104 510.0 0.116 0.116 0.355 0.000 0.000 0.000 3/31104 520.0 0.114 0.114 0.350 0.000 0.000 0.000 3/31104 530.0 0.112 0.112 0.345 0.000 0.000 0.000 3/31104 540.0 0.111 0.111 0.340 0.000 0.000 0.000 3/31104 550.0 0.109 0.109 0.336 0.000 0.000 0.000 3/31104 560.0 0.107 0.107 0.332 0.000 0.000 0.000 3/31104 570.0 0.106 0.106 0.327 0.000 0.000 0.000 3/31104 580.0 0.104 0.104 0.323 0.000 0.000 0.000 3/31104 590.0 0.103 0.103 0.319 0.000 0.000 0.000 3/31104 600.0 0.102 0.102 0.315 0.000 0.000 0.000 3/31104 610.0 0.100 0.100 0.312 0.000 0.000 0.000 3/31104 620.0 0.099 0.099 0.308 0.000 0.000 0.000 3/31104 630.0 0.098 0.098 0.304 0.000 0.000 0.000 3/31104 640.0 0.097 0.097 0.301 0.000 0.000 0.000 3/31104 650.0 0.095 0.095 0.297 0.000 0.000 0.000 3/31104 660.0 0.094 0.094 0.294 0.000 0.000 0.000 3/31104 670.0 0.093 0.093 0.291 0.000 0.000 0.000 3/31104 680.0 0.092 0.092 0.287 0.000 0.000 0.000 3/31104 690.0 0.091 0.091 0.284 0.000 0.000 0.000 3/31104 700.0 0.090 0.090 0.281 0.000 0.000 0.000 3/31104 710.0 0.089 0.089 0.278 0.000 0.000 0.000 3/31104 720.0 0.088 0.088 0.275 0.000 0.000 0.000 3/31104 730.0 0.087 0.087 0.272 0.000 0.000 0.000 3/31104 740.0 0.086 0.086 0.270 0.000 0.000 0.000 3/31104 750.0 0.085 0.085 0.267 0.000 0.000 0.000 3/31104 760.0 0.084 0.084 0.264 0.000 0.000 0.000 3/31104 770.0 0.083 0.083 0.262 0.000 0.000 0.000 3/31104 780.0 0.082 0.082 0.259 0.000 0.000 0.000 3/31104 790.0 0.081 0.081 0.256 0.000 0.000 0.000 3/31104 800.0 0.080 0.080 0.254 0.000 0.000 0.000 3/31104 810.0 0.080 0.080 0.251 0.000 0.000 0.000 3/31104 820.0 0.079 0.079 0.249 0.000 0.000 0.000 3/31104 830.0 0.078 0.078 0.247 0.000 0.000 0.000 3/31104 840.0 0.077 0.077 0.244 0.000 0.000 0.000 3/31104 850.0 0.076 0.076 0.242 0.000 0.000 0.000 3/31104 860.0 0.076 0.076 0.240 0.000 0.000 0.000 3/31104 870.0 0.075 0.075 0.238 0.000 0.000 0.000 3/31104 880.0 0.074 0.074 0.235 0.000 0.000 0.000 3/31104 890.0 0.074 0.074 0.233 0.000 0.000 0.000 3/31104 900.0 0.073 0.073 0.231 0.000 0.000 0.000 3/31104 910.0 0.072 0.072 0.229 0.000 0.000 0.000 3/31104 920.0 0.072 0.072 0.227 0.000 0.000 0.000 3/31104 930.0 0.071 0.071 0.225 0.000 0.000 0.000 3/31104 940.0 0.070 0.070 0.223 0.000 0.000 0.000 3/31104 950.0 0.070 0.070 0.221 0.000 0.000 0.000 3/31104 960.0 0.069 0.069 0.220 0.000 0.000 0.000 3/31104 970.0 0.068 0.068 0.218 0.000 0.000 0.000 3/31104 980.0 0.068 0.068 0.216 0.000 0.000 0.000 3/31104 990.0 0.067 0.067 0.214 0.000 0.000 0.000 3/31104 1000.0 0.067 0.067 0.212 0.000 0.000 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m669.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:31:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|