----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:24:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.854091940000000 5.319436260000000 4.002036750000000 b 3.854091940000000 -5.319436260000000 4.002036750000000 c 3.854091940000000 5.319436260000000 -4.002036750000000 Atomic positions (fractional): *1 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 2 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 *3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 4 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 *5 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 *6 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 7 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 8 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 *9 O 0.80611194660607 0.72782195638773 0.68199965942249 15.999 *10 O 0.40300877495915 0.65300877495915 0.75000000000000 15.999 *11 O 0.87997811798961 0.79150890900612 0.08846920898350 15.999 12 O 0.79696029997738 0.20849109099388 0.58846920898350 15.999 13 O 0.54582229696524 0.12411228718358 0.81800034057751 15.999 14 O 0.45417770303476 0.27217804361227 0.57828999021834 15.999 15 O 0.80611194660607 0.12411228718358 0.07828999021834 15.999 16 O 0.19388805339393 0.87588771281642 0.92171000978166 15.999 17 O 0.45417770303476 0.87588771281642 0.18199965942249 15.999 18 O 0.54582229696524 0.72782195638773 0.42171000978166 15.999 19 O 0.12002188201039 0.20849109099388 0.91153079101650 15.999 20 O 0.20303970002262 0.79150890900612 0.41153079101650 15.999 21 O 0.59699122504085 0.34699122504085 0.25000000000000 15.999 22 O 0.19388805339393 0.27217804361227 0.31800034057751 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.708183880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.638872520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.004073500000001 Atomic positions (fractional): *1 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 2 *3 Ba 0.25000000000000 0.25000000000000 0.75000000000000 137.327 > 3 4 Ba 0.75000000000000 0.25000000000000 0.75000000000000 137.327 > 4 5 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 1 6 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 2 7 Ba 0.75000000000000 0.75000000000000 0.25000000000000 137.327 > 3 8 Ba 0.25000000000000 0.75000000000000 0.25000000000000 137.327 > 4 *9 Sb 0.25000000000000 0.25000000000000 0.25000000000000 121.760 > 5 *10 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 6 11 Sb 0.25000000000000 0.75000000000000 0.75000000000000 121.760 > 7 12 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 8 13 Sb 0.75000000000000 0.75000000000000 0.75000000000000 121.760 > 5 14 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 6 15 Sb 0.75000000000000 0.25000000000000 0.25000000000000 121.760 > 7 16 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 8 *17 O 0.30185483460207 0.38014482482042 0.42596712178566 15.999 > 9 *18 O 0.50000000000000 0.25000000000000 0.15300877495915 15.999 > 10 *19 O 0.00000000000000 0.08846920898350 0.79150890900612 15.999 > 11 20 O 0.50000000000000 0.08846920898350 0.70849109099388 15.999 > 12 21 O 0.19814516539793 0.61985517517958 0.92596712178566 15.999 > 13 22 O 0.19814516539793 0.38014482482042 0.07403287821434 15.999 > 14 23 O 0.69814516539793 0.38014482482042 0.42596712178566 15.999 > 15 24 O 0.80185483460207 0.11985517517958 0.07403287821434 15.999 > 16 25 O 0.30185483460207 0.88014482482042 0.57403287821434 15.999 > 17 26 O 0.30185483460207 0.11985517517958 0.42596712178566 15.999 > 18 27 O 0.50000000000000 0.41153079101650 0.70849109099388 15.999 > 19 28 O 0.00000000000000 0.41153079101650 0.79150890900612 15.999 > 20 29 O 0.00000000000000 0.25000000000000 0.34699122504085 15.999 > 21 30 O 0.19814516539793 0.11985517517958 0.07403287821434 15.999 > 22 31 O 0.80185483460207 0.88014482482042 0.92596712178566 15.999 > 9 32 O 0.00000000000000 0.75000000000000 0.65300877495915 15.999 > 10 33 O 0.50000000000000 0.58846920898350 0.29150890900612 15.999 > 11 34 O 0.00000000000000 0.58846920898350 0.20849109099388 15.999 > 12 35 O 0.69814516539793 0.11985517517958 0.42596712178566 15.999 > 13 36 O 0.69814516539793 0.88014482482042 0.57403287821434 15.999 > 14 37 O 0.19814516539793 0.88014482482042 0.92596712178566 15.999 > 15 38 O 0.30185483460207 0.61985517517958 0.57403287821434 15.999 > 16 39 O 0.80185483460207 0.38014482482042 0.07403287821434 15.999 > 17 40 O 0.80185483460207 0.61985517517958 0.92596712178566 15.999 > 18 41 O 0.00000000000000 0.91153079101650 0.20849109099388 15.999 > 19 42 O 0.50000000000000 0.91153079101650 0.29150890900612 15.999 > 20 43 O 0.50000000000000 0.75000000000000 0.84699122504085 15.999 > 21 44 O 0.69814516539793 0.61985517517958 0.57403287821434 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.416367760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.638872520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.004073500000001 Atomic positions (fractional): *1 Ba 0.25000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.75000000000000 0.00000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 2 4 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 2 *5 Ba 0.12500000000000 0.25000000000000 0.75000000000000 137.327 > 3 6 Ba 0.62500000000000 0.25000000000000 0.75000000000000 137.327 > 3 7 Ba 0.37500000000000 0.25000000000000 0.75000000000000 137.327 > 4 8 Ba 0.87500000000000 0.25000000000000 0.75000000000000 137.327 > 4 9 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 1 10 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 1 11 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 2 12 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 2 13 Ba 0.37500000000000 0.75000000000000 0.25000000000000 137.327 > 3 14 Ba 0.87500000000000 0.75000000000000 0.25000000000000 137.327 > 3 15 Ba 0.12500000000000 0.75000000000000 0.25000000000000 137.327 > 4 16 Ba 0.62500000000000 0.75000000000000 0.25000000000000 137.327 > 4 *17 Sb 0.12500000000000 0.25000000000000 0.25000000000000 121.760 > 5 18 Sb 0.62500000000000 0.25000000000000 0.25000000000000 121.760 > 5 *19 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 6 20 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 6 21 Sb 0.12500000000000 0.75000000000000 0.75000000000000 121.760 > 7 22 Sb 0.62500000000000 0.75000000000000 0.75000000000000 121.760 > 7 23 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 8 24 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 8 25 Sb 0.37500000000000 0.75000000000000 0.75000000000000 121.760 > 5 26 Sb 0.87500000000000 0.75000000000000 0.75000000000000 121.760 > 5 27 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 6 28 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 6 29 Sb 0.37500000000000 0.25000000000000 0.25000000000000 121.760 > 7 30 Sb 0.87500000000000 0.25000000000000 0.25000000000000 121.760 > 7 31 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 8 32 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 8 *33 O 0.15092741730104 0.38014482482042 0.42596712178566 15.999 > 9 34 O 0.65092741730104 0.38014482482042 0.42596712178566 15.999 > 9 *35 O 0.25000000000000 0.25000000000000 0.15300877495915 15.999 > 10 36 O 0.75000000000000 0.25000000000000 0.15300877495915 15.999 > 10 *37 O 0.00000000000000 0.08846920898350 0.79150890900612 15.999 > 11 38 O 0.50000000000000 0.08846920898350 0.79150890900612 15.999 > 11 39 O 0.25000000000000 0.08846920898350 0.70849109099388 15.999 > 12 40 O 0.75000000000000 0.08846920898350 0.70849109099388 15.999 > 12 41 O 0.09907258269896 0.61985517517958 0.92596712178566 15.999 > 13 42 O 0.59907258269896 0.61985517517958 0.92596712178566 15.999 > 13 43 O 0.09907258269896 0.38014482482042 0.07403287821434 15.999 > 14 44 O 0.59907258269896 0.38014482482042 0.07403287821434 15.999 > 14 45 O 0.34907258269896 0.38014482482042 0.42596712178566 15.999 > 15 46 O 0.84907258269896 0.38014482482042 0.42596712178566 15.999 > 15 47 O 0.40092741730104 0.11985517517958 0.07403287821434 15.999 > 16 48 O 0.90092741730104 0.11985517517958 0.07403287821434 15.999 > 16 49 O 0.15092741730104 0.88014482482042 0.57403287821434 15.999 > 17 50 O 0.65092741730104 0.88014482482042 0.57403287821434 15.999 > 17 51 O 0.15092741730104 0.11985517517958 0.42596712178566 15.999 > 18 52 O 0.65092741730104 0.11985517517958 0.42596712178566 15.999 > 18 53 O 0.25000000000000 0.41153079101650 0.70849109099388 15.999 > 19 54 O 0.75000000000000 0.41153079101650 0.70849109099388 15.999 > 19 55 O 0.00000000000000 0.41153079101650 0.79150890900612 15.999 > 20 56 O 0.50000000000000 0.41153079101650 0.79150890900612 15.999 > 20 57 O 0.00000000000000 0.25000000000000 0.34699122504085 15.999 > 21 58 O 0.50000000000000 0.25000000000000 0.34699122504085 15.999 > 21 59 O 0.09907258269896 0.11985517517958 0.07403287821434 15.999 > 22 60 O 0.59907258269896 0.11985517517958 0.07403287821434 15.999 > 22 61 O 0.40092741730104 0.88014482482042 0.92596712178566 15.999 > 9 62 O 0.90092741730104 0.88014482482042 0.92596712178566 15.999 > 9 63 O 0.00000000000000 0.75000000000000 0.65300877495915 15.999 > 10 64 O 0.50000000000000 0.75000000000000 0.65300877495915 15.999 > 10 65 O 0.25000000000000 0.58846920898350 0.29150890900612 15.999 > 11 66 O 0.75000000000000 0.58846920898350 0.29150890900612 15.999 > 11 67 O 0.00000000000000 0.58846920898350 0.20849109099388 15.999 > 12 68 O 0.50000000000000 0.58846920898350 0.20849109099388 15.999 > 12 69 O 0.34907258269896 0.11985517517958 0.42596712178566 15.999 > 13 70 O 0.84907258269896 0.11985517517958 0.42596712178566 15.999 > 13 71 O 0.34907258269896 0.88014482482042 0.57403287821434 15.999 > 14 72 O 0.84907258269896 0.88014482482042 0.57403287821434 15.999 > 14 73 O 0.09907258269896 0.88014482482042 0.92596712178566 15.999 > 15 74 O 0.59907258269896 0.88014482482042 0.92596712178566 15.999 > 15 75 O 0.15092741730104 0.61985517517958 0.57403287821434 15.999 > 16 76 O 0.65092741730104 0.61985517517958 0.57403287821434 15.999 > 16 77 O 0.40092741730104 0.38014482482042 0.07403287821434 15.999 > 17 78 O 0.90092741730104 0.38014482482042 0.07403287821434 15.999 > 17 79 O 0.40092741730104 0.61985517517958 0.92596712178566 15.999 > 18 80 O 0.90092741730104 0.61985517517958 0.92596712178566 15.999 > 18 81 O 0.00000000000000 0.91153079101650 0.20849109099388 15.999 > 19 82 O 0.50000000000000 0.91153079101650 0.20849109099388 15.999 > 19 83 O 0.25000000000000 0.91153079101650 0.29150890900612 15.999 > 20 84 O 0.75000000000000 0.91153079101650 0.29150890900612 15.999 > 20 85 O 0.25000000000000 0.75000000000000 0.84699122504085 15.999 > 21 86 O 0.75000000000000 0.75000000000000 0.84699122504085 15.999 > 21 87 O 0.34907258269896 0.61985517517958 0.57403287821434 15.999 > 22 88 O 0.84907258269896 0.61985517517958 0.57403287821434 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5058163 0.0000000 0.0000000 0.0000000 4.4215962 0.0000000 0.0000000 0.0000000 4.4602312 -------------------------- Born effective charges -------------------------- 1 Ba 2.8518808 0.0000000 0.0000000 0.0000000 2.3718180 0.1378543 0.0000000 0.1452828 3.1885362 2 Ba 2.8518808 0.0000000 0.0000000 0.0000000 2.3718180 -0.1378543 0.0000000 -0.1452828 3.1885362 3 Ba 2.7934357 0.0000000 -0.5455330 0.0000000 2.9087947 -0.0000000 -0.7301170 -0.0000000 2.7813495 4 Ba 2.7934357 0.0000000 0.5455330 0.0000000 2.9087947 -0.0000000 0.7301170 -0.0000000 2.7813495 5 Sb 5.3249050 0.0000000 0.2027500 0.0000000 4.9279921 -0.0000000 0.0161259 -0.0000000 4.8588031 6 Sb 5.2304656 0.0000000 0.0000000 0.0000000 5.4139589 -0.2671611 0.0000000 -0.8034154 4.4625671 7 Sb 5.3249050 0.0000000 -0.2027500 0.0000000 4.9279921 -0.0000000 -0.0161259 -0.0000000 4.8588031 8 Sb 5.2304656 0.0000000 0.0000000 0.0000000 5.4139589 0.2671611 0.0000000 0.8034154 4.4625671 9 O -2.2308300 -0.6002960 -0.2720587 -0.5926237 -2.4124792 -0.7197442 -0.2619970 -0.7123245 -2.0587138 10 O -3.3854566 0.0000000 0.0000000 0.0000000 -1.6862186 -0.0000000 0.0000000 -0.0000000 -1.7034965 11 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 0.3536482 0.0000000 0.3334877 -2.6764521 12 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 -0.3536482 0.0000000 -0.3334877 -2.6764521 13 O -2.2308300 -0.6002960 0.2720587 -0.5926237 -2.4124792 0.7197442 0.2619970 0.7123245 -2.0587138 14 O -2.2308300 0.6002960 -0.2720587 0.5926237 -2.4124792 0.7197442 -0.2619970 0.7123245 -2.0587138 15 O -2.2308300 0.6002960 0.2720587 0.5926237 -2.4124792 -0.7197442 0.2619970 -0.7123245 -2.0587138 16 O -2.2308300 0.6002960 0.2720587 0.5926237 -2.4124792 -0.7197442 0.2619970 -0.7123245 -2.0587138 17 O -2.2308300 -0.6002960 0.2720587 -0.5926237 -2.4124792 0.7197442 0.2619970 0.7123245 -2.0587138 18 O -2.2308300 0.6002960 -0.2720587 0.5926237 -2.4124792 0.7197442 -0.2619970 0.7123245 -2.0587138 19 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 0.3536482 0.0000000 0.3334877 -2.6764521 20 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 -0.3536482 0.0000000 -0.3334877 -2.6764521 21 O -3.3854566 0.0000000 0.0000000 0.0000000 -1.6862186 -0.0000000 0.0000000 -0.0000000 -1.7034965 22 O -2.2308300 -0.6002960 -0.2720587 -0.5926237 -2.4124792 -0.7197442 -0.2619970 -0.7123245 -2.0587138 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 1252 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 186 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1215), data: False |-- (186, 179), data: True |-- (186, 179), data: True |-- (186, 179), data: True |-- (196, 194), data: True |-- (238, 232), data: True |-- (260, 252), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.193 Solver_block: 200 / 400 - Time: 1.162 Solver_block: 300 / 400 - Time: 1.165 Solver_block: 400 / 400 - Time: 1.163 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.711 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 1252 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 186 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1215), data: False |-- (186, 179), data: True |-- (186, 179), data: True |-- (186, 179), data: True |-- (196, 194), data: True |-- (238, 232), data: True |-- (260, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:25:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:25:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.854091940000000 5.319436260000000 4.002036750000000 b 3.854091940000000 -5.319436260000000 4.002036750000000 c 3.854091940000000 5.319436260000000 -4.002036750000000 Atomic positions (fractional): 1 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 2 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 4 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 5 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 6 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 7 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 8 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 9 O 0.80611194660607 0.72782195638773 0.68199965942249 15.999 10 O 0.40300877495915 0.65300877495915 0.75000000000000 15.999 11 O 0.87997811798961 0.79150890900612 0.08846920898350 15.999 12 O 0.79696029997738 0.20849109099388 0.58846920898350 15.999 13 O 0.54582229696524 0.12411228718358 0.81800034057751 15.999 14 O 0.45417770303476 0.27217804361227 0.57828999021834 15.999 15 O 0.80611194660607 0.12411228718358 0.07828999021834 15.999 16 O 0.19388805339393 0.87588771281642 0.92171000978166 15.999 17 O 0.45417770303476 0.87588771281642 0.18199965942249 15.999 18 O 0.54582229696524 0.72782195638773 0.42171000978166 15.999 19 O 0.12002188201039 0.20849109099388 0.91153079101650 15.999 20 O 0.20303970002262 0.79150890900612 0.41153079101650 15.999 21 O 0.59699122504085 0.34699122504085 0.25000000000000 15.999 22 O 0.19388805339393 0.27217804361227 0.31800034057751 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.416367760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.638872520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.004073500000001 Atomic positions (fractional): 1 Ba 0.25000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.75000000000000 0.00000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 3 4 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 3 5 Ba 0.12500000000000 0.25000000000000 0.75000000000000 137.327 > 5 6 Ba 0.62500000000000 0.25000000000000 0.75000000000000 137.327 > 5 7 Ba 0.37500000000000 0.25000000000000 0.75000000000000 137.327 > 7 8 Ba 0.87500000000000 0.25000000000000 0.75000000000000 137.327 > 7 9 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 1 10 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 1 11 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 3 12 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 3 13 Ba 0.37500000000000 0.75000000000000 0.25000000000000 137.327 > 5 14 Ba 0.87500000000000 0.75000000000000 0.25000000000000 137.327 > 5 15 Ba 0.12500000000000 0.75000000000000 0.25000000000000 137.327 > 7 16 Ba 0.62500000000000 0.75000000000000 0.25000000000000 137.327 > 7 17 Sb 0.12500000000000 0.25000000000000 0.25000000000000 121.760 > 17 18 Sb 0.62500000000000 0.25000000000000 0.25000000000000 121.760 > 17 19 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 19 20 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 19 21 Sb 0.12500000000000 0.75000000000000 0.75000000000000 121.760 > 21 22 Sb 0.62500000000000 0.75000000000000 0.75000000000000 121.760 > 21 23 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 23 24 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 23 25 Sb 0.37500000000000 0.75000000000000 0.75000000000000 121.760 > 17 26 Sb 0.87500000000000 0.75000000000000 0.75000000000000 121.760 > 17 27 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 19 28 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 19 29 Sb 0.37500000000000 0.25000000000000 0.25000000000000 121.760 > 21 30 Sb 0.87500000000000 0.25000000000000 0.25000000000000 121.760 > 21 31 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 23 32 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 23 33 O 0.15092741730104 0.38014482482042 0.42596712178566 15.999 > 33 34 O 0.65092741730104 0.38014482482042 0.42596712178566 15.999 > 33 35 O 0.25000000000000 0.25000000000000 0.15300877495915 15.999 > 35 36 O 0.75000000000000 0.25000000000000 0.15300877495915 15.999 > 35 37 O 0.00000000000000 0.08846920898350 0.79150890900612 15.999 > 37 38 O 0.50000000000000 0.08846920898350 0.79150890900612 15.999 > 37 39 O 0.25000000000000 0.08846920898350 0.70849109099388 15.999 > 39 40 O 0.75000000000000 0.08846920898350 0.70849109099388 15.999 > 39 41 O 0.09907258269896 0.61985517517958 0.92596712178566 15.999 > 41 42 O 0.59907258269896 0.61985517517958 0.92596712178566 15.999 > 41 43 O 0.09907258269896 0.38014482482042 0.07403287821434 15.999 > 43 44 O 0.59907258269896 0.38014482482042 0.07403287821434 15.999 > 43 45 O 0.34907258269896 0.38014482482042 0.42596712178566 15.999 > 45 46 O 0.84907258269896 0.38014482482042 0.42596712178566 15.999 > 45 47 O 0.40092741730104 0.11985517517958 0.07403287821434 15.999 > 47 48 O 0.90092741730104 0.11985517517958 0.07403287821434 15.999 > 47 49 O 0.15092741730104 0.88014482482042 0.57403287821434 15.999 > 49 50 O 0.65092741730104 0.88014482482042 0.57403287821434 15.999 > 49 51 O 0.15092741730104 0.11985517517958 0.42596712178566 15.999 > 51 52 O 0.65092741730104 0.11985517517958 0.42596712178566 15.999 > 51 53 O 0.25000000000000 0.41153079101650 0.70849109099388 15.999 > 53 54 O 0.75000000000000 0.41153079101650 0.70849109099388 15.999 > 53 55 O 0.00000000000000 0.41153079101650 0.79150890900612 15.999 > 55 56 O 0.50000000000000 0.41153079101650 0.79150890900612 15.999 > 55 57 O 0.00000000000000 0.25000000000000 0.34699122504085 15.999 > 57 58 O 0.50000000000000 0.25000000000000 0.34699122504085 15.999 > 57 59 O 0.09907258269896 0.11985517517958 0.07403287821434 15.999 > 59 60 O 0.59907258269896 0.11985517517958 0.07403287821434 15.999 > 59 61 O 0.40092741730104 0.88014482482042 0.92596712178566 15.999 > 33 62 O 0.90092741730104 0.88014482482042 0.92596712178566 15.999 > 33 63 O 0.00000000000000 0.75000000000000 0.65300877495915 15.999 > 35 64 O 0.50000000000000 0.75000000000000 0.65300877495915 15.999 > 35 65 O 0.25000000000000 0.58846920898350 0.29150890900612 15.999 > 37 66 O 0.75000000000000 0.58846920898350 0.29150890900612 15.999 > 37 67 O 0.00000000000000 0.58846920898350 0.20849109099388 15.999 > 39 68 O 0.50000000000000 0.58846920898350 0.20849109099388 15.999 > 39 69 O 0.34907258269896 0.11985517517958 0.42596712178566 15.999 > 41 70 O 0.84907258269896 0.11985517517958 0.42596712178566 15.999 > 41 71 O 0.34907258269896 0.88014482482042 0.57403287821434 15.999 > 43 72 O 0.84907258269896 0.88014482482042 0.57403287821434 15.999 > 43 73 O 0.09907258269896 0.88014482482042 0.92596712178566 15.999 > 45 74 O 0.59907258269896 0.88014482482042 0.92596712178566 15.999 > 45 75 O 0.15092741730104 0.61985517517958 0.57403287821434 15.999 > 47 76 O 0.65092741730104 0.61985517517958 0.57403287821434 15.999 > 47 77 O 0.40092741730104 0.38014482482042 0.07403287821434 15.999 > 49 78 O 0.90092741730104 0.38014482482042 0.07403287821434 15.999 > 49 79 O 0.40092741730104 0.61985517517958 0.92596712178566 15.999 > 51 80 O 0.90092741730104 0.61985517517958 0.92596712178566 15.999 > 51 81 O 0.00000000000000 0.91153079101650 0.20849109099388 15.999 > 53 82 O 0.50000000000000 0.91153079101650 0.20849109099388 15.999 > 53 83 O 0.25000000000000 0.91153079101650 0.29150890900612 15.999 > 55 84 O 0.75000000000000 0.91153079101650 0.29150890900612 15.999 > 55 85 O 0.25000000000000 0.75000000000000 0.84699122504085 15.999 > 57 86 O 0.75000000000000 0.75000000000000 0.84699122504085 15.999 > 57 87 O 0.34907258269896 0.61985517517958 0.57403287821434 15.999 > 59 88 O 0.84907258269896 0.61985517517958 0.57403287821434 15.999 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5058163 0.0000000 0.0000000 0.0000000 4.4215962 0.0000000 0.0000000 0.0000000 4.4602312 -------------------------- Born effective charges -------------------------- 1 Ba 2.8518808 0.0000000 0.0000000 0.0000000 2.3718180 0.1378543 0.0000000 0.1452828 3.1885362 2 Ba 2.8518808 0.0000000 0.0000000 0.0000000 2.3718180 -0.1378543 0.0000000 -0.1452828 3.1885362 3 Ba 2.7934357 0.0000000 -0.5455330 0.0000000 2.9087947 -0.0000000 -0.7301170 -0.0000000 2.7813495 4 Ba 2.7934357 0.0000000 0.5455330 0.0000000 2.9087947 -0.0000000 0.7301170 -0.0000000 2.7813495 5 Sb 5.3249050 0.0000000 0.2027500 0.0000000 4.9279921 -0.0000000 0.0161259 -0.0000000 4.8588031 6 Sb 5.2304656 0.0000000 0.0000000 0.0000000 5.4139589 -0.2671611 0.0000000 -0.8034154 4.4625671 7 Sb 5.3249050 0.0000000 -0.2027500 0.0000000 4.9279921 -0.0000000 -0.0161259 -0.0000000 4.8588031 8 Sb 5.2304656 0.0000000 0.0000000 0.0000000 5.4139589 0.2671611 0.0000000 0.8034154 4.4625671 9 O -2.2308300 -0.6002960 -0.2720587 -0.5926237 -2.4124792 -0.7197442 -0.2619970 -0.7123245 -2.0587138 10 O -3.3854566 0.0000000 0.0000000 0.0000000 -1.6862186 -0.0000000 0.0000000 -0.0000000 -1.7034965 11 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 0.3536482 0.0000000 0.3334877 -2.6764521 12 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 -0.3536482 0.0000000 -0.3334877 -2.6764521 13 O -2.2308300 -0.6002960 0.2720587 -0.5926237 -2.4124792 0.7197442 0.2619970 0.7123245 -2.0587138 14 O -2.2308300 0.6002960 -0.2720587 0.5926237 -2.4124792 0.7197442 -0.2619970 0.7123245 -2.0587138 15 O -2.2308300 0.6002960 0.2720587 0.5926237 -2.4124792 -0.7197442 0.2619970 -0.7123245 -2.0587138 16 O -2.2308300 0.6002960 0.2720587 0.5926237 -2.4124792 -0.7197442 0.2619970 -0.7123245 -2.0587138 17 O -2.2308300 -0.6002960 0.2720587 -0.5926237 -2.4124792 0.7197442 0.2619970 0.7123245 -2.0587138 18 O -2.2308300 0.6002960 -0.2720587 0.5926237 -2.4124792 0.7197442 -0.2619970 0.7123245 -2.0587138 19 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 0.3536482 0.0000000 0.3334877 -2.6764521 20 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 -0.3536482 0.0000000 -0.3334877 -2.6764521 21 O -3.3854566 0.0000000 0.0000000 0.0000000 -1.6862186 -0.0000000 0.0000000 -0.0000000 -1.7034965 22 O -2.2308300 -0.6002960 -0.2720587 -0.5926237 -2.4124792 -0.7197442 -0.2619970 -0.7123245 -2.0587138 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:25:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:25:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.854091940000000 5.319436260000000 4.002036750000000 b 3.854091940000000 -5.319436260000000 4.002036750000000 c 3.854091940000000 5.319436260000000 -4.002036750000000 Atomic positions (fractional): 1 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 2 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 4 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 5 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 6 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 7 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 8 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 9 O 0.80611194660607 0.72782195638773 0.68199965942249 15.999 10 O 0.40300877495915 0.65300877495915 0.75000000000000 15.999 11 O 0.87997811798961 0.79150890900612 0.08846920898350 15.999 12 O 0.79696029997738 0.20849109099388 0.58846920898350 15.999 13 O 0.54582229696524 0.12411228718358 0.81800034057751 15.999 14 O 0.45417770303476 0.27217804361227 0.57828999021834 15.999 15 O 0.80611194660607 0.12411228718358 0.07828999021834 15.999 16 O 0.19388805339393 0.87588771281642 0.92171000978166 15.999 17 O 0.45417770303476 0.87588771281642 0.18199965942249 15.999 18 O 0.54582229696524 0.72782195638773 0.42171000978166 15.999 19 O 0.12002188201039 0.20849109099388 0.91153079101650 15.999 20 O 0.20303970002262 0.79150890900612 0.41153079101650 15.999 21 O 0.59699122504085 0.34699122504085 0.25000000000000 15.999 22 O 0.19388805339393 0.27217804361227 0.31800034057751 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.416367760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.638872520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.004073500000001 Atomic positions (fractional): 1 Ba 0.25000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.75000000000000 0.00000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 3 4 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 3 5 Ba 0.12500000000000 0.25000000000000 0.75000000000000 137.327 > 5 6 Ba 0.62500000000000 0.25000000000000 0.75000000000000 137.327 > 5 7 Ba 0.37500000000000 0.25000000000000 0.75000000000000 137.327 > 7 8 Ba 0.87500000000000 0.25000000000000 0.75000000000000 137.327 > 7 9 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 1 10 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 1 11 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 3 12 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 3 13 Ba 0.37500000000000 0.75000000000000 0.25000000000000 137.327 > 5 14 Ba 0.87500000000000 0.75000000000000 0.25000000000000 137.327 > 5 15 Ba 0.12500000000000 0.75000000000000 0.25000000000000 137.327 > 7 16 Ba 0.62500000000000 0.75000000000000 0.25000000000000 137.327 > 7 17 Sb 0.12500000000000 0.25000000000000 0.25000000000000 121.760 > 17 18 Sb 0.62500000000000 0.25000000000000 0.25000000000000 121.760 > 17 19 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 19 20 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 19 21 Sb 0.12500000000000 0.75000000000000 0.75000000000000 121.760 > 21 22 Sb 0.62500000000000 0.75000000000000 0.75000000000000 121.760 > 21 23 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 23 24 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 23 25 Sb 0.37500000000000 0.75000000000000 0.75000000000000 121.760 > 17 26 Sb 0.87500000000000 0.75000000000000 0.75000000000000 121.760 > 17 27 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 19 28 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 19 29 Sb 0.37500000000000 0.25000000000000 0.25000000000000 121.760 > 21 30 Sb 0.87500000000000 0.25000000000000 0.25000000000000 121.760 > 21 31 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 23 32 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 23 33 O 0.15092741730104 0.38014482482042 0.42596712178566 15.999 > 33 34 O 0.65092741730104 0.38014482482042 0.42596712178566 15.999 > 33 35 O 0.25000000000000 0.25000000000000 0.15300877495915 15.999 > 35 36 O 0.75000000000000 0.25000000000000 0.15300877495915 15.999 > 35 37 O 0.00000000000000 0.08846920898350 0.79150890900612 15.999 > 37 38 O 0.50000000000000 0.08846920898350 0.79150890900612 15.999 > 37 39 O 0.25000000000000 0.08846920898350 0.70849109099388 15.999 > 39 40 O 0.75000000000000 0.08846920898350 0.70849109099388 15.999 > 39 41 O 0.09907258269896 0.61985517517958 0.92596712178566 15.999 > 41 42 O 0.59907258269896 0.61985517517958 0.92596712178566 15.999 > 41 43 O 0.09907258269896 0.38014482482042 0.07403287821434 15.999 > 43 44 O 0.59907258269896 0.38014482482042 0.07403287821434 15.999 > 43 45 O 0.34907258269896 0.38014482482042 0.42596712178566 15.999 > 45 46 O 0.84907258269896 0.38014482482042 0.42596712178566 15.999 > 45 47 O 0.40092741730104 0.11985517517958 0.07403287821434 15.999 > 47 48 O 0.90092741730104 0.11985517517958 0.07403287821434 15.999 > 47 49 O 0.15092741730104 0.88014482482042 0.57403287821434 15.999 > 49 50 O 0.65092741730104 0.88014482482042 0.57403287821434 15.999 > 49 51 O 0.15092741730104 0.11985517517958 0.42596712178566 15.999 > 51 52 O 0.65092741730104 0.11985517517958 0.42596712178566 15.999 > 51 53 O 0.25000000000000 0.41153079101650 0.70849109099388 15.999 > 53 54 O 0.75000000000000 0.41153079101650 0.70849109099388 15.999 > 53 55 O 0.00000000000000 0.41153079101650 0.79150890900612 15.999 > 55 56 O 0.50000000000000 0.41153079101650 0.79150890900612 15.999 > 55 57 O 0.00000000000000 0.25000000000000 0.34699122504085 15.999 > 57 58 O 0.50000000000000 0.25000000000000 0.34699122504085 15.999 > 57 59 O 0.09907258269896 0.11985517517958 0.07403287821434 15.999 > 59 60 O 0.59907258269896 0.11985517517958 0.07403287821434 15.999 > 59 61 O 0.40092741730104 0.88014482482042 0.92596712178566 15.999 > 33 62 O 0.90092741730104 0.88014482482042 0.92596712178566 15.999 > 33 63 O 0.00000000000000 0.75000000000000 0.65300877495915 15.999 > 35 64 O 0.50000000000000 0.75000000000000 0.65300877495915 15.999 > 35 65 O 0.25000000000000 0.58846920898350 0.29150890900612 15.999 > 37 66 O 0.75000000000000 0.58846920898350 0.29150890900612 15.999 > 37 67 O 0.00000000000000 0.58846920898350 0.20849109099388 15.999 > 39 68 O 0.50000000000000 0.58846920898350 0.20849109099388 15.999 > 39 69 O 0.34907258269896 0.11985517517958 0.42596712178566 15.999 > 41 70 O 0.84907258269896 0.11985517517958 0.42596712178566 15.999 > 41 71 O 0.34907258269896 0.88014482482042 0.57403287821434 15.999 > 43 72 O 0.84907258269896 0.88014482482042 0.57403287821434 15.999 > 43 73 O 0.09907258269896 0.88014482482042 0.92596712178566 15.999 > 45 74 O 0.59907258269896 0.88014482482042 0.92596712178566 15.999 > 45 75 O 0.15092741730104 0.61985517517958 0.57403287821434 15.999 > 47 76 O 0.65092741730104 0.61985517517958 0.57403287821434 15.999 > 47 77 O 0.40092741730104 0.38014482482042 0.07403287821434 15.999 > 49 78 O 0.90092741730104 0.38014482482042 0.07403287821434 15.999 > 49 79 O 0.40092741730104 0.61985517517958 0.92596712178566 15.999 > 51 80 O 0.90092741730104 0.61985517517958 0.92596712178566 15.999 > 51 81 O 0.00000000000000 0.91153079101650 0.20849109099388 15.999 > 53 82 O 0.50000000000000 0.91153079101650 0.20849109099388 15.999 > 53 83 O 0.25000000000000 0.91153079101650 0.29150890900612 15.999 > 55 84 O 0.75000000000000 0.91153079101650 0.29150890900612 15.999 > 55 85 O 0.25000000000000 0.75000000000000 0.84699122504085 15.999 > 57 86 O 0.75000000000000 0.75000000000000 0.84699122504085 15.999 > 57 87 O 0.34907258269896 0.61985517517958 0.57403287821434 15.999 > 59 88 O 0.84907258269896 0.61985517517958 0.57403287821434 15.999 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5058163 0.0000000 0.0000000 0.0000000 4.4215962 0.0000000 0.0000000 0.0000000 4.4602312 -------------------------- Born effective charges -------------------------- 1 Ba 2.8518808 0.0000000 0.0000000 0.0000000 2.3718180 0.1378543 0.0000000 0.1452828 3.1885362 2 Ba 2.8518808 0.0000000 0.0000000 0.0000000 2.3718180 -0.1378543 0.0000000 -0.1452828 3.1885362 3 Ba 2.7934357 0.0000000 -0.5455330 0.0000000 2.9087947 -0.0000000 -0.7301170 -0.0000000 2.7813495 4 Ba 2.7934357 0.0000000 0.5455330 0.0000000 2.9087947 -0.0000000 0.7301170 -0.0000000 2.7813495 5 Sb 5.3249050 0.0000000 0.2027500 0.0000000 4.9279921 -0.0000000 0.0161259 -0.0000000 4.8588031 6 Sb 5.2304656 0.0000000 0.0000000 0.0000000 5.4139589 -0.2671611 0.0000000 -0.8034154 4.4625671 7 Sb 5.3249050 0.0000000 -0.2027500 0.0000000 4.9279921 -0.0000000 -0.0161259 -0.0000000 4.8588031 8 Sb 5.2304656 0.0000000 0.0000000 0.0000000 5.4139589 0.2671611 0.0000000 0.8034154 4.4625671 9 O -2.2308300 -0.6002960 -0.2720587 -0.5926237 -2.4124792 -0.7197442 -0.2619970 -0.7123245 -2.0587138 10 O -3.3854566 0.0000000 0.0000000 0.0000000 -1.6862186 -0.0000000 0.0000000 -0.0000000 -1.7034965 11 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 0.3536482 0.0000000 0.3334877 -2.6764521 12 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 -0.3536482 0.0000000 -0.3334877 -2.6764521 13 O -2.2308300 -0.6002960 0.2720587 -0.5926237 -2.4124792 0.7197442 0.2619970 0.7123245 -2.0587138 14 O -2.2308300 0.6002960 -0.2720587 0.5926237 -2.4124792 0.7197442 -0.2619970 0.7123245 -2.0587138 15 O -2.2308300 0.6002960 0.2720587 0.5926237 -2.4124792 -0.7197442 0.2619970 -0.7123245 -2.0587138 16 O -2.2308300 0.6002960 0.2720587 0.5926237 -2.4124792 -0.7197442 0.2619970 -0.7123245 -2.0587138 17 O -2.2308300 -0.6002960 0.2720587 -0.5926237 -2.4124792 0.7197442 0.2619970 0.7123245 -2.0587138 18 O -2.2308300 0.6002960 -0.2720587 0.5926237 -2.4124792 0.7197442 -0.2619970 0.7123245 -2.0587138 19 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 0.3536482 0.0000000 0.3334877 -2.6764521 20 O -1.9459552 0.0000000 0.0000000 0.0000000 -2.1432143 -0.3536482 0.0000000 -0.3334877 -2.6764521 21 O -3.3854566 0.0000000 0.0000000 0.0000000 -1.6862186 -0.0000000 0.0000000 -0.0000000 -1.7034965 22 O -2.2308300 -0.6002960 -0.2720587 -0.5926237 -2.4124792 -0.7197442 -0.2619970 -0.7123245 -2.0587138 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 6 60 ] Grid generation matrix: [ 0 6 6 ] [ 5 0 5 ] [ 6 6 0 ] 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: 0.60, Number of G-points: 303, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 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 1.099 ( 0.000 0.000 0.000) 0.000 1.159 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.748 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.164 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 9.195 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.244 ( 0.000 0.000 0.000) 0.000 9.350 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.091 ( 0.000 0.000 0.000) 0.000 10.490 ( 0.000 0.000 0.000) 0.000 10.564 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 11.482 ( 0.000 0.000 0.000) 0.000 11.884 ( 0.000 0.000 0.000) 0.000 12.112 ( 0.000 0.000 0.000) 0.000 12.442 ( 0.000 0.000 0.000) 0.000 12.675 ( 0.000 0.000 0.000) 0.000 12.942 ( 0.000 0.000 0.000) 0.000 12.960 ( 0.000 0.000 0.000) 0.000 13.983 ( 0.000 0.000 0.000) 0.000 14.819 ( 0.000 0.000 0.000) 0.000 15.766 ( 0.000 0.000 0.000) 0.000 16.608 ( 0.000 0.000 0.000) 0.000 16.935 ( 0.000 0.000 0.000) 0.000 17.642 ( 0.000 0.000 0.000) 0.000 17.933 ( 0.000 0.000 0.000) 0.000 18.695 ( 0.000 0.000 0.000) 0.000 19.504 ( 0.000 0.000 0.000) 0.000 20.040 ( 0.000 0.000 0.000) 0.000 20.476 ( 0.000 0.000 0.000) 0.000 20.526 ( 0.000 0.000 0.000) 0.000 21.496 ( 0.000 0.000 0.000) 0.000 21.610 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 25.027 0.000 -18.676) 31.227 1.033 ( 14.975 0.000 -23.959) 28.254 1.191 ( 3.898 0.000 -3.975) 5.567 1.338 ( 8.856 0.000 -7.617) 11.681 1.682 ( 36.495 0.000 -30.882) 47.808 1.900 ( -1.742 0.000 -1.418) 2.246 2.228 ( 4.359 0.000 -2.273) 4.916 2.617 ( 13.482 -0.000 1.848) 13.608 2.787 ( 0.272 0.000 -5.058) 5.066 2.907 ( 8.535 -0.000 -1.463) 8.659 3.098 ( -0.242 0.000 -11.941) 11.944 3.135 ( 1.170 0.000 -4.268) 4.426 3.338 ( 5.987 0.000 -4.050) 7.228 3.929 ( 3.920 0.000 -1.719) 4.281 4.017 ( 8.749 0.000 -3.723) 9.508 4.517 ( 1.026 -0.000 0.639) 1.209 4.527 ( -2.771 0.000 -1.809) 3.309 4.930 ( 1.831 0.000 -2.102) 2.787 5.384 ( -19.654 0.000 -12.354) 23.214 5.495 ( -1.173 0.000 -2.838) 3.071 5.530 ( 1.288 0.000 -2.768) 3.053 6.134 ( -4.217 -0.000 3.064) 5.213 6.183 ( -3.047 -0.000 3.615) 4.728 6.245 ( 0.658 0.000 -1.080) 1.265 6.292 ( -5.545 -0.000 3.536) 6.577 7.372 ( -0.696 -0.000 6.439) 6.477 7.602 ( 3.559 -0.000 3.016) 4.665 7.624 ( -9.509 -0.000 4.883) 10.689 8.049 ( -3.722 0.000 -1.625) 4.061 8.060 ( -5.004 -0.000 4.880) 6.989 8.352 ( 1.420 -0.000 1.603) 2.141 8.508 ( 11.691 -0.000 14.623) 18.722 9.094 ( -3.427 -0.000 6.289) 7.162 9.178 ( -0.946 0.000 -2.376) 2.558 9.265 ( -4.625 -0.000 3.127) 5.583 9.391 ( 7.620 0.000 -7.140) 10.442 9.458 ( 3.378 0.000 -8.116) 8.791 9.624 ( -6.134 0.000 -2.260) 6.537 9.865 ( -12.728 0.000 -3.497) 13.200 10.012 ( -3.035 -0.000 4.146) 5.138 10.090 ( 1.296 0.000 -2.222) 2.572 10.524 ( -2.136 -0.000 1.286) 2.493 10.750 ( 5.622 -0.000 0.947) 5.702 10.939 ( -2.249 0.000 -4.165) 4.733 11.387 ( 12.673 -0.000 28.503) 31.194 11.572 ( 3.710 0.000 -3.597) 5.168 12.085 ( -0.723 -0.000 4.956) 5.009 12.332 ( 6.832 -0.000 11.823) 13.655 12.537 ( 3.741 0.000 -1.942) 4.215 12.916 ( -3.539 0.000 -1.772) 3.958 12.933 ( 0.469 -0.000 3.519) 3.550 13.611 ( 7.285 -0.000 16.056) 17.631 14.289 ( 17.807 -0.000 -2.593) 17.995 14.938 ( 3.426 0.000 -7.589) 8.326 16.103 ( 17.963 -0.000 28.782) 33.928 16.495 ( -1.553 -0.000 8.790) 8.926 16.966 ( -0.200 0.000 -3.369) 3.375 17.897 ( -0.335 -0.000 3.725) 3.740 18.252 ( -15.068 0.000 -11.694) 19.074 18.730 ( 0.410 -0.000 18.887) 18.891 19.685 ( 7.198 0.000 -3.626) 8.059 20.136 ( 5.084 0.000 -3.111) 5.960 20.518 ( 2.409 0.000 -1.896) 3.066 21.429 ( -11.342 0.000 -8.791) 14.350 21.609 ( -2.642 0.000 -2.245) 3.467 21.623 ( -20.268 0.000 -24.329) 31.665 ======================= Grid point 2 (3/75) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -0.891 0.000 -2.754) 2.895 1.447 ( 0.207 0.000 -5.899) 5.902 1.774 ( 13.707 0.000 -8.027) 15.884 1.896 ( -1.421 0.000 -4.060) 4.301 1.953 ( 17.276 0.000 -14.745) 22.713 2.305 ( 0.556 0.000 -3.591) 3.634 2.749 ( 8.434 -0.000 -2.705) 8.857 2.873 ( 14.146 -0.000 3.361) 14.540 2.908 ( -1.337 -0.000 2.076) 2.470 3.130 ( 18.652 0.000 -13.749) 23.172 3.276 ( -2.716 0.000 -1.559) 3.131 3.381 ( 13.862 -0.000 0.578) 13.874 3.762 ( 9.557 0.000 -18.832) 21.118 4.095 ( 3.022 0.000 -8.060) 8.608 4.277 ( 4.050 0.000 -3.564) 5.395 4.653 ( 5.826 0.000 -9.483) 11.130 4.660 ( 10.682 0.000 -3.926) 11.380 4.952 ( -5.657 0.000 1.797) 5.935 5.172 ( -0.603 -0.000 13.624) 13.637 5.263 ( -8.448 0.000 -9.594) 12.783 5.789 ( -6.197 0.000 0.391) 6.209 5.958 ( -5.146 -0.000 12.964) 13.948 6.051 ( -9.142 0.000 1.669) 9.293 6.090 ( 3.149 0.000 -12.672) 13.058 6.295 ( 1.298 0.000 -1.936) 2.331 7.116 ( -5.208 -0.000 11.517) 12.640 7.300 ( -9.225 -0.000 4.896) 10.444 7.663 ( 9.118 -0.000 3.915) 9.923 7.809 ( -7.571 -0.000 4.102) 8.610 8.007 ( -5.056 0.000 -3.119) 5.941 8.338 ( 3.704 -0.000 3.482) 5.083 8.441 ( -0.396 -0.000 3.060) 3.085 8.821 ( -9.930 -0.000 5.016) 11.126 9.071 ( -1.707 -0.000 6.612) 6.829 9.192 ( 4.476 -0.000 5.021) 6.727 9.484 ( -4.426 0.000 1.181) 4.580 9.532 ( -6.851 0.000 -3.351) 7.627 9.671 ( -6.329 0.000 -5.082) 8.117 9.823 ( 5.370 0.000 -9.306) 10.744 9.846 ( -2.339 -0.000 4.046) 4.673 10.355 ( 9.693 0.000 -8.196) 12.693 10.356 ( -3.532 -0.000 4.876) 6.021 10.993 ( 0.271 0.000 -3.746) 3.756 10.999 ( 8.407 0.000 -3.735) 9.199 11.088 ( -0.264 -0.000 8.007) 8.012 11.732 ( 2.182 0.000 -4.582) 5.075 11.809 ( -7.645 -0.000 12.227) 14.420 12.213 ( -0.035 -0.000 6.446) 6.446 12.675 ( 4.924 0.000 -1.915) 5.283 12.830 ( -0.728 -0.000 5.407) 5.456 12.877 ( -4.948 0.000 -2.989) 5.781 13.475 ( 4.167 -0.000 8.768) 9.708 14.746 ( 16.408 -0.000 -3.527) 16.782 15.255 ( 5.401 0.000 -12.486) 13.605 15.849 ( -1.755 -0.000 10.703) 10.846 16.201 ( -3.886 -0.000 12.888) 13.461 17.069 ( 1.426 0.000 -4.907) 5.110 17.753 ( -2.143 -0.000 6.775) 7.106 18.139 ( -7.045 0.000 -0.534) 7.065 18.391 ( -3.781 -0.000 7.679) 8.559 19.871 ( 3.120 0.000 -3.135) 4.423 20.326 ( 5.323 0.000 -2.621) 5.934 20.655 ( 4.340 0.000 -3.187) 5.385 21.401 ( -3.118 0.000 -3.376) 4.596 21.575 ( -4.123 0.000 -1.599) 4.423 21.658 ( -6.680 0.000 -7.014) 9.686 ======================= Grid point 3 (4/75) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -0.000 -0.000 0.000) 0.000 1.505 ( -0.000 -0.000 0.000) 0.000 1.861 ( -0.000 0.000 0.000) 0.000 2.012 ( -0.000 0.000 -0.000) 0.000 2.417 ( 0.000 0.000 -0.000) 0.000 2.449 ( -0.000 0.000 -0.000) 0.000 2.679 ( -0.000 -0.000 0.000) 0.000 2.844 ( 0.000 -0.000 0.000) 0.000 3.078 ( 0.000 -0.000 0.000) 0.000 3.102 ( -0.000 0.000 0.000) 0.000 3.537 ( -0.000 0.000 -0.000) 0.000 3.541 ( 0.000 -0.000 0.000) 0.000 4.186 ( -0.000 0.000 0.000) 0.000 4.370 ( -0.000 -0.000 0.000) 0.000 4.467 ( -0.000 0.000 0.000) 0.000 4.481 ( -0.000 0.000 -0.000) 0.000 4.923 ( -0.000 0.000 -0.000) 0.000 4.929 ( -0.000 0.000 -0.000) 0.000 5.144 ( -0.000 -0.000 0.000) 0.000 5.358 ( -0.000 0.000 -0.000) 0.000 5.581 ( -0.000 -0.000 0.000) 0.000 5.720 ( -0.000 -0.000 0.000) 0.000 5.781 ( -0.000 0.000 0.000) 0.000 6.256 ( -0.000 -0.000 0.000) 0.000 6.525 ( -0.000 -0.000 0.000) 0.000 6.786 ( -0.000 0.000 -0.000) 0.000 7.134 ( -0.000 -0.000 0.000) 0.000 7.663 ( -0.000 -0.000 0.000) 0.000 7.772 ( -0.000 0.000 -0.000) 0.000 7.959 ( 0.000 -0.000 0.000) 0.000 8.370 ( -0.000 0.000 0.000) 0.000 8.380 ( 0.000 -0.000 0.000) 0.000 8.610 ( -0.000 -0.000 0.000) 0.000 8.980 ( -0.000 -0.000 0.000) 0.000 9.175 ( -0.000 -0.000 0.000) 0.000 9.405 ( -0.000 -0.000 0.000) 0.000 9.491 ( -0.000 -0.000 0.000) 0.000 9.648 ( -0.000 -0.000 0.000) 0.000 9.780 ( -0.000 0.000 0.000) 0.000 10.019 ( -0.000 -0.000 0.000) 0.000 10.254 ( -0.000 0.000 0.000) 0.000 10.535 ( -0.000 0.000 0.000) 0.000 11.032 ( -0.000 0.000 0.000) 0.000 11.160 ( -0.000 -0.000 0.000) 0.000 11.223 ( -0.000 -0.000 0.000) 0.000 11.379 ( -0.000 -0.000 0.000) 0.000 11.815 ( -0.000 -0.000 0.000) 0.000 12.128 ( -0.000 -0.000 0.000) 0.000 12.745 ( -0.000 0.000 0.000) 0.000 12.805 ( -5.376 0.000 -0.568) 5.406 12.805 ( 5.376 -0.000 0.568) 5.406 13.429 ( -0.000 0.000 0.000) 0.000 15.005 ( -0.000 -0.000 0.000) 0.000 15.551 ( -0.000 -0.000 0.000) 0.000 15.683 ( -0.000 0.000 0.000) 0.000 15.919 ( -0.000 0.000 0.000) 0.000 17.167 ( -0.000 -0.000 0.000) 0.000 17.621 ( -0.000 0.000 0.000) 0.000 18.040 ( -0.000 -0.000 0.000) 0.000 18.279 ( -0.000 0.000 -0.000) 0.000 19.940 ( -0.000 -0.000 0.000) 0.000 20.419 ( -0.000 0.000 0.000) 0.000 20.756 ( -0.000 -0.000 0.000) 0.000 21.411 ( -0.000 -0.000 0.000) 0.000 21.533 ( -0.000 -0.000 0.000) 0.000 21.650 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 7 (5/75) ======================= q-point: ( 0.18 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -0.000 17.058 20.423) 26.610 0.874 ( -0.000 26.401 15.481) 30.605 1.177 ( -0.000 1.739 4.841) 5.144 1.361 ( -0.000 6.684 10.669) 12.589 1.662 ( -0.000 31.224 35.153) 47.018 2.020 ( -0.000 8.752 0.583) 8.771 2.250 ( -0.000 8.198 2.839) 8.676 2.494 ( -0.000 2.571 0.017) 2.571 2.706 ( 0.000 -4.189 2.831) 5.056 2.788 ( 0.000 -1.498 -1.142) 1.884 2.973 ( 0.000 -7.095 8.187) 10.834 3.247 ( -0.000 6.020 4.692) 7.632 3.440 ( -0.000 8.102 4.976) 9.508 3.808 ( 0.000 -1.686 -0.264) 1.707 3.953 ( 0.000 1.456 10.105) 10.209 4.472 ( 0.000 -2.398 -2.900) 3.763 4.661 ( -0.000 7.943 5.201) 9.494 4.985 ( -0.000 7.752 3.859) 8.659 5.357 ( 0.000 -10.242 4.452) 11.168 5.529 ( -0.000 4.057 9.510) 10.339 5.801 ( 0.000 -2.922 -3.304) 4.411 6.078 ( 0.000 -4.662 -4.958) 6.806 6.162 ( 0.000 -5.331 -2.967) 6.101 6.367 ( -0.000 6.185 -5.225) 8.097 6.551 ( -0.000 5.668 -15.528) 16.530 7.349 ( 0.000 -3.963 -3.902) 5.562 7.594 ( -0.000 0.673 -2.975) 3.050 7.672 ( 0.000 -7.190 -9.591) 11.987 7.908 ( 0.000 -14.889 0.826) 14.912 8.035 ( 0.000 0.586 2.923) 2.981 8.148 ( -0.000 1.223 0.289) 1.257 8.492 ( -0.000 11.449 -4.531) 12.313 9.082 ( 0.000 -0.781 9.293) 9.326 9.175 ( 0.000 -5.959 0.124) 5.960 9.217 ( 0.000 -5.634 3.819) 6.807 9.343 ( -0.000 1.021 -2.986) 3.156 9.747 ( -0.000 4.098 3.838) 5.615 9.785 ( -0.000 6.490 -7.909) 10.231 10.058 ( -0.000 0.107 -1.953) 1.955 10.102 ( -0.000 2.921 -1.196) 3.157 10.527 ( -0.000 25.880 -27.071) 37.451 10.538 ( 0.000 -1.400 -2.008) 2.448 10.623 ( -0.000 8.479 2.639) 8.880 10.657 ( 0.000 -2.335 -5.854) 6.302 10.942 ( 0.000 -3.077 4.141) 5.159 11.514 ( 0.000 -0.895 1.263) 1.548 12.047 ( 0.000 -4.894 -1.529) 5.127 12.077 ( 0.000 -4.466 -7.718) 8.917 12.539 ( 0.000 0.288 5.573) 5.581 12.812 ( 0.000 -12.987 2.150) 13.163 12.965 ( 0.000 -0.328 2.026) 2.052 13.366 ( 0.000 -5.458 12.843) 13.955 14.056 ( -0.000 7.021 -1.522) 7.184 14.980 ( -0.000 7.834 8.696) 11.705 15.844 ( -0.000 6.248 1.770) 6.494 16.783 ( 0.000 -16.561 2.524) 16.752 16.996 ( -0.000 29.107 -30.623) 42.250 17.772 ( 0.000 -12.954 -4.756) 13.799 18.467 ( 0.000 -6.695 -3.074) 7.367 18.620 ( 0.000 -1.774 -3.336) 3.778 19.650 ( -0.000 5.615 5.810) 8.080 20.105 ( -0.000 3.041 2.388) 3.867 20.503 ( -0.000 1.676 -0.065) 1.678 21.483 ( -0.000 0.435 -2.088) 2.133 21.584 ( 0.000 -4.533 2.438) 5.147 22.013 ( 0.000 -9.891 12.875) 16.236 ======================= Grid point 8 (6/75) ======================= q-point: ( 0.02 -0.02 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 13.243 16.965 -0.000) 21.522 0.874 ( 23.198 14.799 0.000) 27.516 1.168 ( 4.644 2.153 0.000) 5.119 1.364 ( 7.798 11.635 -0.000) 14.006 1.738 ( 43.696 35.089 0.000) 56.040 2.007 ( -1.342 10.543 -0.000) 10.628 2.271 ( 2.631 6.427 -0.000) 6.945 2.658 ( 12.971 1.697 0.000) 13.082 2.794 ( 7.040 4.681 0.000) 8.454 2.831 ( 11.380 -6.748 0.000) 13.230 3.015 ( -3.436 5.706 -0.000) 6.660 3.029 ( 6.035 5.058 0.000) 7.874 3.398 ( 3.291 8.554 -0.000) 9.165 3.878 ( 1.609 -7.171 0.000) 7.349 3.958 ( 11.466 2.618 0.000) 11.761 4.519 ( 0.991 -0.334 0.000) 1.046 4.578 ( -1.327 6.026 -0.000) 6.170 4.978 ( 2.751 6.231 -0.000) 6.811 5.157 ( -7.584 -3.295 -0.000) 8.269 5.418 ( -0.693 6.755 -0.000) 6.790 5.747 ( -5.297 7.456 -0.000) 9.146 6.057 ( -5.743 -6.306 0.000) 8.530 6.166 ( -2.672 -6.029 0.000) 6.594 6.366 ( -4.591 5.054 -0.000) 6.828 6.419 ( -11.863 10.500 -0.000) 15.842 7.363 ( -2.619 -8.469 0.000) 8.865 7.534 ( -7.618 -6.991 -0.000) 10.340 7.781 ( 1.592 6.132 -0.000) 6.336 7.855 ( -1.328 -14.779 0.000) 14.839 8.137 ( -2.733 4.200 -0.000) 5.011 8.348 ( 6.411 -10.723 0.000) 12.493 8.676 ( 3.164 1.753 0.000) 3.617 8.919 ( 5.787 -4.374 0.000) 7.254 9.150 ( 0.813 -8.136 0.000) 8.177 9.305 ( 8.621 -2.188 0.000) 8.894 9.328 ( -5.759 5.788 -0.000) 8.165 9.628 ( -6.574 2.402 -0.000) 6.999 9.755 ( -18.090 24.681 -0.000) 30.601 9.817 ( -6.739 -0.939 -0.000) 6.805 10.049 ( -3.741 -1.180 -0.000) 3.923 10.070 ( -2.049 0.795 -0.000) 2.198 10.567 ( 2.430 4.351 -0.000) 4.983 10.769 ( 1.471 -5.310 0.000) 5.510 10.824 ( -2.937 -2.205 -0.000) 3.673 11.501 ( 4.480 -2.748 0.000) 5.256 11.732 ( -9.851 -3.524 -0.000) 10.462 12.114 ( 3.966 -4.460 0.000) 5.969 12.387 ( -6.097 1.270 -0.000) 6.228 12.493 ( 1.426 -12.091 0.000) 12.175 12.897 ( -4.227 0.271 -0.000) 4.236 13.135 ( -0.712 13.161 -0.000) 13.180 13.290 ( 43.042 -51.070 0.000) 66.788 14.238 ( 13.381 8.390 0.000) 15.794 14.985 ( 6.855 8.439 -0.000) 10.872 15.943 ( 6.478 -15.205 0.000) 16.527 16.715 ( -1.834 -19.323 0.000) 19.410 17.720 ( 0.472 5.534 -0.000) 5.554 17.843 ( 1.775 -8.914 0.000) 9.089 17.903 ( -26.172 20.512 -0.000) 33.253 18.849 ( 0.712 -20.322 0.000) 20.334 19.732 ( 10.956 2.535 0.000) 11.246 20.077 ( -0.145 3.242 -0.000) 3.245 20.613 ( 5.523 1.921 0.000) 5.847 21.025 ( -23.011 27.212 -0.000) 35.637 21.511 ( 0.689 0.482 0.000) 0.840 21.608 ( -2.406 2.484 -0.000) 3.458 ======================= Grid point 9 (7/75) ======================= q-point: (-0.15 -0.02 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 1.569 3.238 -7.622) 8.428 1.298 ( 5.860 -1.767 -4.112) 7.374 1.590 ( 22.743 2.404 -9.158) 24.635 1.755 ( 15.789 6.334 -9.836) 19.651 1.983 ( 0.191 10.462 0.792) 10.494 2.308 ( -0.520 0.728 -0.355) 0.963 2.662 ( 13.983 -0.642 -3.058) 14.328 2.780 ( 0.070 3.359 -0.041) 3.360 2.916 ( 21.773 6.793 -4.999) 23.349 3.112 ( 15.530 4.726 1.784) 16.331 3.312 ( 14.162 -4.494 -6.742) 16.316 3.366 ( 6.050 16.255 -10.532) 20.292 3.573 ( 9.859 4.772 -3.585) 11.525 3.906 ( 0.738 -8.571 -1.843) 8.798 4.125 ( 5.985 -1.798 4.711) 7.827 4.605 ( 9.443 -3.267 1.478) 10.101 4.665 ( 1.299 11.954 -6.582) 13.708 5.003 ( -6.885 -0.685 -2.646) 7.408 5.043 ( -2.567 2.377 -4.684) 5.846 5.456 ( -3.641 -0.678 -1.295) 3.923 5.665 ( 1.044 8.737 1.321) 8.898 5.864 ( -6.154 -11.733 2.496) 13.482 6.067 ( -4.979 -6.529 -0.139) 8.212 6.207 ( -6.636 9.607 0.605) 11.692 6.327 ( -1.188 6.499 -1.751) 6.835 7.172 ( -12.447 -12.571 0.366) 17.695 7.353 ( -5.216 -2.131 6.109) 8.310 7.798 ( 4.471 2.973 4.622) 7.085 7.803 ( -3.120 -10.531 -0.020) 10.983 8.008 ( -5.202 11.036 2.440) 12.442 8.343 ( -2.375 -7.214 0.934) 7.652 8.559 ( 4.945 -0.816 11.104) 12.183 8.974 ( -10.949 3.283 3.396) 11.925 9.169 ( 1.989 -4.891 0.429) 5.297 9.286 ( -0.088 1.838 -2.589) 3.176 9.441 ( 2.226 0.515 2.309) 3.249 9.534 ( -3.209 -3.784 -2.017) 5.355 9.565 ( -5.834 7.870 -3.410) 10.373 9.726 ( -0.101 5.669 -2.008) 6.015 9.971 ( -2.121 3.005 3.014) 4.755 10.081 ( 4.932 -7.812 -4.783) 10.403 10.518 ( -1.504 2.638 4.514) 5.440 10.873 ( 2.443 0.350 -7.383) 7.785 10.883 ( 2.219 -5.183 -3.272) 6.519 11.348 ( -7.097 2.267 10.249) 12.671 11.599 ( 1.844 -4.457 -1.727) 5.124 12.050 ( -2.653 1.240 7.723) 8.260 12.259 ( -5.514 -2.398 0.661) 6.049 12.586 ( 5.647 -5.182 -2.036) 7.930 12.794 ( -7.535 0.253 -3.195) 8.188 13.044 ( -1.548 10.099 4.943) 11.350 13.584 ( 9.871 -18.346 13.050) 24.583 14.664 ( 16.715 3.149 -5.080) 17.751 15.194 ( 6.686 13.250 -6.488) 16.198 15.860 ( -4.297 -17.769 8.469) 20.148 16.741 ( -1.889 -17.877 -3.450) 18.305 16.955 ( -4.156 24.480 23.235) 34.006 17.763 ( -1.307 -10.308 7.000) 12.529 18.065 ( -6.313 6.524 -11.964) 15.019 18.589 ( -6.773 -5.337 9.904) 13.132 19.889 ( 6.410 4.124 1.146) 7.708 20.215 ( 3.625 -3.412 -5.856) 7.686 20.657 ( 5.776 5.687 0.242) 8.109 21.133 ( -8.133 1.036 -18.151) 19.916 21.535 ( 0.544 -0.409 -0.221) 0.716 21.583 ( -2.981 2.323 -3.270) 4.997 ======================= Grid point 10 (8/75) ======================= q-point: (-0.32 -0.02 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 1.376 1.022 -1.170) 2.076 1.445 ( 2.202 -3.652 -1.687) 4.586 1.979 ( 2.397 8.581 1.920) 9.114 2.077 ( 5.813 5.756 -2.967) 8.702 2.258 ( 8.585 1.152 -9.908) 13.160 2.370 ( 5.322 -1.529 -5.439) 7.761 2.689 ( -3.897 -4.222 4.407) 7.241 2.712 ( -5.570 -9.230 -0.839) 10.813 3.202 ( 0.146 8.288 3.338) 8.936 3.281 ( 2.107 1.783 6.942) 7.471 3.566 ( 2.861 8.536 0.462) 9.014 3.748 ( 13.889 7.129 4.361) 16.209 3.978 ( 6.367 1.172 -18.645) 19.737 4.111 ( 1.969 -7.990 -0.919) 8.280 4.270 ( 12.800 -8.338 -11.960) 19.401 4.660 ( -5.672 -1.559 1.060) 5.977 4.835 ( 3.892 1.123 -4.284) 5.896 4.925 ( -1.733 6.448 -1.043) 6.758 5.113 ( 6.170 -6.408 4.399) 9.924 5.279 ( -12.123 -10.580 10.260) 19.083 5.478 ( -3.806 2.484 -6.260) 7.735 5.912 ( 7.756 -3.172 4.542) 9.531 6.032 ( -5.050 12.308 4.654) 14.095 6.153 ( -0.037 3.723 -9.769) 10.455 6.434 ( 5.132 7.326 -7.657) 11.774 6.899 ( -10.430 -7.734 2.027) 13.142 7.072 ( -6.304 0.053 4.273) 7.616 7.720 ( -1.569 -1.673 0.966) 2.489 7.764 ( -6.630 -3.087 -1.171) 7.407 7.879 ( 3.041 -1.012 6.362) 7.124 8.317 ( 1.092 -1.947 -0.790) 2.369 8.465 ( 5.559 -2.389 9.609) 11.355 8.698 ( -5.865 7.210 -0.024) 9.294 9.119 ( -7.312 5.334 1.226) 9.133 9.243 ( -1.632 -1.898 0.979) 2.688 9.302 ( 1.371 3.252 0.774) 3.613 9.518 ( 5.345 -0.910 5.643) 7.826 9.715 ( -1.309 1.156 -1.957) 2.623 9.818 ( 4.314 -5.550 -6.405) 9.510 9.899 ( 1.361 5.474 3.423) 6.598 10.254 ( 2.379 -5.250 0.138) 5.766 10.512 ( -1.104 -3.049 -0.539) 3.287 10.955 ( 3.016 -0.127 -7.709) 8.279 11.077 ( -0.284 -0.058 -5.647) 5.655 11.198 ( 3.272 4.837 1.819) 6.116 11.531 ( -7.023 -6.029 7.861) 12.144 11.852 ( -1.408 6.340 1.026) 6.575 12.107 ( -5.279 -1.893 0.889) 5.679 12.722 ( -7.326 0.119 -5.987) 9.462 12.757 ( 4.132 -0.854 -2.124) 4.724 12.869 ( -4.416 6.087 3.747) 8.402 13.475 ( 5.749 -10.382 11.732) 16.688 15.009 ( 3.586 3.381 -2.052) 5.338 15.507 ( 5.887 -0.016 -3.980) 7.106 15.600 ( -3.473 0.783 -2.048) 4.107 16.371 ( -4.419 17.675 16.668) 24.693 16.965 ( 2.491 -13.902 -8.287) 16.375 17.493 ( -3.704 -15.082 11.444) 19.291 18.152 ( -0.756 8.796 -4.231) 9.790 18.307 ( -5.289 1.037 2.669) 6.015 19.984 ( 2.295 4.633 -0.523) 5.196 20.364 ( 1.629 -4.962 -1.852) 5.541 20.795 ( 1.973 6.530 -1.928) 7.089 21.272 ( -1.595 -5.741 -6.509) 8.825 21.533 ( -0.492 1.266 -1.140) 1.773 21.631 ( 3.052 -1.184 -0.753) 3.359 ======================= Grid point 11 (9/75) ======================= q-point: ( 0.52 -0.02 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 2.309 0.798 1.395) 2.813 1.484 ( 1.831 -4.324 2.154) 5.166 1.963 ( -0.984 6.538 3.352) 7.413 2.106 ( -1.453 6.806 6.679) 9.646 2.273 ( -9.701 2.442 10.476) 14.485 2.401 ( -2.536 -1.892 5.045) 5.956 2.618 ( -0.509 -6.683 -5.456) 8.642 2.705 ( -1.888 -2.166 -8.784) 9.242 2.952 ( -12.043 6.638 2.624) 13.999 3.178 ( -6.585 -3.728 1.222) 7.665 3.511 ( -2.507 -0.261 6.097) 6.597 3.645 ( -5.405 11.984 11.873) 17.715 4.017 ( -1.840 -5.943 7.249) 9.553 4.243 ( -9.152 -10.687 6.606) 15.544 4.387 ( -4.372 11.726 12.452) 17.654 4.568 ( 1.549 -5.283 -10.238) 11.624 4.859 ( -2.211 5.391 1.197) 5.948 4.905 ( -0.861 -1.180 1.334) 1.978 5.083 ( 7.053 -4.471 -1.201) 8.437 5.388 ( 12.497 -6.259 -4.621) 14.721 5.649 ( 4.638 0.830 -11.089) 12.049 5.706 ( -1.834 6.932 9.514) 11.914 6.029 ( -0.635 -2.836 -1.070) 3.097 6.250 ( -2.010 0.818 -3.243) 3.902 6.561 ( -2.985 10.764 12.413) 16.699 6.866 ( 7.471 1.698 -12.649) 14.788 7.094 ( 2.248 -4.596 -9.024) 10.374 7.586 ( -9.076 -0.080 -2.841) 9.510 7.757 ( 3.898 -6.096 -0.663) 7.266 7.915 ( 3.155 -2.940 -2.166) 4.825 8.353 ( 1.213 3.023 0.541) 3.302 8.400 ( 4.183 -4.639 6.995) 9.379 8.788 ( 7.148 4.807 -5.055) 9.988 9.022 ( -3.263 1.000 -3.676) 5.016 9.180 ( -3.468 13.267 -3.675) 14.196 9.439 ( 7.007 -8.143 1.723) 10.880 9.511 ( 6.312 0.810 2.912) 6.999 9.726 ( -2.278 -5.818 -0.483) 6.267 9.885 ( 2.270 -0.996 -0.622) 2.556 9.973 ( 7.868 7.722 5.642) 12.384 10.268 ( 0.794 -4.575 2.939) 5.496 10.422 ( -5.342 -1.108 -2.873) 6.166 11.012 ( -5.662 -0.591 4.165) 7.053 11.064 ( -6.119 -0.766 1.994) 6.481 11.171 ( -3.133 5.064 5.718) 8.255 11.477 ( 6.952 -3.972 -11.777) 14.241 11.827 ( -2.069 1.256 -1.045) 2.637 12.058 ( -5.235 0.432 -5.318) 7.475 12.684 ( -4.384 -0.050 -1.576) 4.659 12.741 ( -3.823 2.268 -4.369) 6.233 12.907 ( 3.464 1.496 -1.706) 4.141 13.380 ( 4.338 -7.846 7.028) 11.392 14.798 ( -17.460 -0.855 2.550) 17.665 15.528 ( 0.394 -3.561 4.443) 5.707 15.795 ( 5.535 13.097 2.826) 14.497 16.142 ( -0.178 14.905 -7.250) 16.576 17.084 ( -0.657 -8.381 6.215) 10.455 17.356 ( 2.125 -22.318 -7.396) 23.607 18.182 ( 0.094 6.391 -2.086) 6.723 18.324 ( 2.413 4.326 -4.500) 6.692 19.984 ( -0.715 4.028 2.581) 4.837 20.345 ( -2.943 -3.770 1.875) 5.137 20.747 ( -5.301 3.750 1.841) 6.749 21.353 ( 0.865 -4.049 -2.015) 4.605 21.577 ( 2.826 -1.490 0.330) 3.212 21.762 ( 9.669 0.752 1.388) 9.797 ======================= Grid point 12 (10/75) ======================= q-point: ( 0.35 -0.02 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.582 0.959 4.053) 4.205 1.380 ( -3.806 -3.522 14.536) 15.434 1.518 ( -10.321 4.441 15.030) 18.766 1.628 ( -19.501 11.923 11.691) 25.673 2.038 ( 2.892 7.158 4.318) 8.846 2.339 ( -1.385 7.294 7.039) 10.231 2.541 ( -9.092 -2.250 2.797) 9.775 2.575 ( -10.619 7.372 11.475) 17.285 2.818 ( -0.616 -6.887 0.571) 6.938 2.885 ( -9.742 1.501 3.515) 10.464 3.120 ( -7.797 -3.302 2.682) 8.882 3.486 ( -0.873 13.596 6.118) 14.934 3.560 ( -4.979 -0.220 17.380) 18.080 3.934 ( -10.419 -6.379 0.744) 12.239 4.186 ( 4.776 9.339 13.269) 16.914 4.442 ( -2.378 -4.937 1.618) 5.714 4.807 ( -0.171 14.672 7.062) 16.284 5.097 ( 0.329 7.641 4.926) 9.097 5.210 ( 4.652 -3.077 -11.179) 12.493 5.547 ( 10.852 -0.750 0.089) 10.879 5.775 ( 1.002 -5.469 7.579) 9.400 5.903 ( 4.993 -10.878 -6.928) 13.830 6.043 ( 0.479 -5.448 -5.390) 7.679 6.264 ( -2.569 2.897 -3.652) 5.323 6.365 ( 1.388 11.117 0.853) 11.235 7.195 ( 3.028 -0.612 -7.622) 8.224 7.391 ( 4.464 -5.669 -9.591) 12.002 7.551 ( -4.057 2.078 -6.561) 7.989 7.859 ( 4.380 -13.271 0.107) 13.975 8.049 ( 1.052 5.352 -4.379) 6.995 8.294 ( -2.686 -6.258 5.133) 8.528 8.406 ( 1.910 6.724 -1.979) 7.265 9.061 ( 4.212 -0.961 -3.837) 5.778 9.110 ( 2.598 1.778 -6.319) 7.060 9.244 ( -0.722 8.627 -5.041) 10.018 9.398 ( -2.962 -8.289 4.459) 9.867 9.636 ( 1.210 3.684 0.368) 3.895 9.734 ( 8.347 0.280 2.122) 8.617 9.963 ( 4.929 3.380 -0.580) 6.005 10.032 ( 7.494 6.863 2.801) 10.540 10.104 ( -0.700 -7.563 8.254) 11.217 10.469 ( 2.458 0.896 -4.109) 4.871 10.823 ( -8.495 1.682 3.078) 9.191 10.911 ( -10.397 -0.654 -8.493) 13.441 11.037 ( -4.460 3.195 0.724) 5.534 11.606 ( -1.900 -5.769 2.645) 6.625 11.945 ( 1.838 -0.157 -6.982) 7.222 12.043 ( -10.618 -2.890 -10.069) 14.916 12.621 ( 1.002 0.161 3.937) 4.065 12.795 ( -3.377 -3.223 -6.175) 7.741 12.976 ( 1.524 2.129 0.539) 2.673 13.405 ( 6.414 -4.951 2.364) 8.440 14.324 ( -19.268 -0.462 2.183) 19.397 15.261 ( -3.980 8.910 12.123) 15.563 15.857 ( 3.215 3.644 0.892) 4.941 16.476 ( 0.734 16.666 -18.755) 25.100 16.913 ( -0.373 -12.536 6.259) 14.016 17.613 ( 1.623 -16.222 -9.234) 18.736 18.299 ( 3.968 0.868 -4.023) 5.718 18.498 ( 2.577 3.012 -6.090) 7.266 19.843 ( -3.186 2.894 6.357) 7.677 20.208 ( -3.489 -0.135 3.235) 4.760 20.580 ( -4.057 1.209 2.660) 4.999 21.416 ( 1.313 -1.457 -2.126) 2.892 21.607 ( 2.755 -4.332 2.836) 5.865 21.948 ( 13.196 1.406 5.308) 14.293 ======================= Grid point 13 (11/75) ======================= q-point: ( 0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.000 1.259 3.791) 3.994 1.383 ( -0.000 5.521 10.139) 11.545 1.604 ( -0.000 21.331 10.539) 23.792 1.639 ( -0.000 12.955 2.628) 13.219 2.207 ( -0.000 6.445 4.130) 7.655 2.272 ( 0.000 -8.843 -4.658) 9.994 2.485 ( 0.000 -2.011 -0.513) 2.075 2.576 ( -0.000 6.981 3.204) 7.681 2.803 ( -0.000 6.304 7.403) 9.723 2.816 ( -0.000 3.408 4.339) 5.517 3.031 ( -0.000 6.038 -11.209) 12.732 3.472 ( 0.000 2.790 23.678) 23.842 3.687 ( 0.000 -4.490 -3.708) 5.823 3.797 ( -0.000 12.741 7.792) 14.935 4.351 ( 0.000 -1.893 -3.455) 3.940 4.591 ( -0.000 17.014 26.066) 31.128 5.034 ( -0.000 10.239 10.279) 14.508 5.188 ( 0.000 -5.340 -5.616) 7.750 5.264 ( -0.000 10.903 4.339) 11.734 5.534 ( 0.000 -8.082 -8.248) 11.548 5.702 ( 0.000 -1.900 0.524) 1.971 5.832 ( 0.000 -7.660 -5.791) 9.603 5.936 ( 0.000 -8.110 -5.664) 9.892 6.124 ( 0.000 -7.556 -16.080) 17.767 6.628 ( -0.000 14.042 3.628) 14.503 7.184 ( 0.000 -5.045 -3.105) 5.924 7.292 ( 0.000 -9.929 -7.259) 12.300 7.494 ( 0.000 -4.255 -1.262) 4.438 7.691 ( 0.000 -8.816 0.341) 8.822 8.155 ( 0.000 -7.555 10.702) 13.100 8.284 ( -0.000 19.279 -5.251) 19.981 8.544 ( -0.000 3.303 -2.952) 4.430 9.017 ( 0.000 -5.229 -1.177) 5.360 9.047 ( 0.000 -8.024 -5.305) 9.620 9.278 ( 0.000 -0.476 6.228) 6.246 9.316 ( 0.000 -0.183 -0.048) 0.189 9.731 ( 0.000 -0.927 -1.796) 2.021 9.880 ( -0.000 0.804 2.861) 2.972 10.041 ( 0.000 -3.144 3.426) 4.650 10.114 ( -0.000 1.461 -2.886) 3.235 10.405 ( -0.000 16.523 -21.892) 27.427 10.474 ( 0.000 -0.473 0.639) 0.795 10.570 ( -0.000 -0.050 -2.397) 2.398 10.930 ( -0.000 8.699 9.585) 12.944 10.980 ( 0.000 -0.994 3.916) 4.041 11.477 ( 0.000 -5.713 -1.192) 5.836 11.840 ( 0.000 -2.754 -5.707) 6.337 11.896 ( 0.000 -6.598 -1.082) 6.686 12.590 ( 0.000 -6.471 3.450) 7.333 12.695 ( 0.000 -0.672 1.122) 1.308 12.999 ( 0.000 -0.970 2.112) 2.324 13.501 ( -0.000 2.224 2.536) 3.373 14.119 ( -0.000 5.696 -4.093) 7.014 15.383 ( -0.000 7.931 10.386) 13.068 16.084 ( -0.000 13.910 3.014) 14.233 16.515 ( 0.000 -17.573 5.060) 18.287 16.891 ( -0.000 14.237 -17.379) 22.466 17.278 ( 0.000 -19.696 -9.150) 21.718 18.306 ( 0.000 -4.488 -1.383) 4.696 18.551 ( 0.000 -1.559 -0.445) 1.622 19.850 ( -0.000 3.706 3.550) 5.131 20.205 ( -0.000 2.366 1.400) 2.749 20.550 ( -0.000 1.608 1.279) 2.055 21.419 ( -0.000 -0.394 -3.335) 3.359 21.570 ( 0.000 -1.418 1.657) 2.181 22.096 ( 0.000 -1.406 4.492) 4.707 ======================= Grid point 14 (12/75) ======================= q-point: ( 0.20 -0.03 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 3.510 12.189 6.630) 14.312 1.226 ( 0.974 3.341 4.022) 5.319 1.462 ( 5.137 17.639 8.321) 20.169 1.747 ( 7.246 18.571 6.923) 21.103 2.180 ( 0.118 9.135 -1.240) 9.219 2.447 ( -0.599 8.178 1.869) 8.410 2.516 ( 9.449 10.390 1.569) 14.132 2.606 ( 16.772 9.029 -0.822) 19.065 2.799 ( 8.178 3.689 0.353) 8.979 2.890 ( 11.157 2.715 -2.930) 11.851 2.970 ( 4.952 2.326 15.430) 16.371 3.428 ( 5.237 8.080 -6.135) 11.417 3.647 ( 2.992 14.091 10.545) 17.852 3.922 ( 10.057 1.121 -1.660) 10.254 3.975 ( -4.230 5.930 13.372) 15.227 4.437 ( -0.160 -0.433 -5.664) 5.683 4.868 ( 1.783 9.475 10.587) 14.319 5.089 ( -7.972 -7.905 2.770) 11.564 5.166 ( -1.521 7.651 3.428) 8.520 5.561 ( -3.250 3.437 1.285) 4.901 5.766 ( -0.605 -2.600 -1.797) 3.218 5.880 ( -5.660 -3.396 -8.032) 10.396 5.984 ( -2.477 -9.369 -2.668) 10.052 6.412 ( -4.523 -1.497 -7.880) 9.209 6.552 ( -3.036 11.968 1.784) 12.475 7.151 ( -7.884 -12.471 0.765) 14.774 7.365 ( -5.433 -8.370 -1.908) 10.160 7.511 ( 2.594 -17.042 -2.540) 17.424 7.750 ( 4.273 -3.044 -4.042) 6.623 8.092 ( 5.618 -9.636 -0.175) 11.155 8.364 ( -0.269 20.455 -2.599) 20.621 8.609 ( -2.235 2.882 -6.798) 7.714 8.952 ( -4.379 -6.175 1.903) 7.806 9.092 ( 3.151 -8.710 8.413) 12.513 9.230 ( 5.835 -1.225 -2.374) 6.418 9.340 ( -2.074 0.990 -2.101) 3.114 9.681 ( -6.667 -0.914 0.232) 6.734 9.836 ( 2.648 -1.006 3.803) 4.742 10.009 ( -6.336 1.802 -5.847) 8.808 10.053 ( -9.015 5.894 -1.708) 10.906 10.136 ( -15.231 11.740 1.067) 19.260 10.550 ( -0.638 -4.494 -5.556) 7.174 10.739 ( 2.357 3.235 7.015) 8.076 10.900 ( 0.985 -0.320 8.144) 8.210 11.337 ( 9.384 -0.933 -19.566) 21.720 11.491 ( -0.029 -3.365 -1.247) 3.589 11.945 ( 3.864 -8.686 -2.136) 9.744 12.136 ( 9.421 -8.222 -7.974) 14.831 12.490 ( -2.245 -1.664 6.084) 6.695 12.708 ( 17.375 -14.902 3.911) 23.222 12.920 ( -3.321 -0.248 1.813) 3.792 13.406 ( -2.371 9.453 0.437) 9.756 14.414 ( 13.777 10.535 -4.062) 17.812 15.221 ( 5.646 7.443 8.533) 12.653 15.981 ( -5.317 13.989 1.656) 15.057 16.360 ( -2.175 -24.107 6.210) 24.989 17.380 ( -0.442 12.586 -26.551) 29.387 17.466 ( 1.485 -19.114 -8.526) 20.982 18.229 ( -4.197 -5.519 6.741) 9.671 18.532 ( -1.813 -8.205 -0.805) 8.442 19.845 ( 5.548 5.823 2.740) 8.497 20.177 ( -0.164 3.149 1.714) 3.589 20.610 ( 4.489 3.783 -2.111) 6.238 21.407 ( -8.702 1.521 1.545) 8.968 21.524 ( -0.489 0.584 0.672) 1.016 21.792 ( -8.820 2.437 9.923) 13.498 ======================= Grid point 15 (13/75) ======================= q-point: ( 0.03 -0.03 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 1.844 9.840 -0.000) 10.012 1.232 ( 3.794 -0.824 0.000) 3.883 1.603 ( 16.640 11.092 0.000) 19.998 1.822 ( 10.618 11.653 -0.000) 15.765 2.183 ( -1.010 6.562 -0.000) 6.639 2.276 ( -8.605 1.879 -0.000) 8.808 2.771 ( 3.738 -7.710 0.000) 8.568 2.787 ( 0.861 8.558 -0.000) 8.601 3.039 ( 11.078 11.010 -0.000) 15.619 3.170 ( 16.493 0.179 0.000) 16.494 3.265 ( 17.689 4.222 0.000) 18.186 3.441 ( 9.452 9.043 0.000) 13.081 3.695 ( 5.426 13.641 -0.000) 14.680 3.762 ( -1.065 1.366 -0.000) 1.733 4.418 ( 18.859 11.877 0.000) 22.288 4.557 ( 4.234 -3.169 0.000) 5.288 4.728 ( -1.057 3.466 -0.000) 3.624 4.845 ( -5.947 -5.496 -0.000) 8.098 5.088 ( -1.888 5.279 -0.000) 5.606 5.450 ( -6.060 4.508 -0.000) 7.553 5.653 ( -6.412 -12.898 0.000) 14.404 5.844 ( -12.698 -11.486 -0.000) 17.122 5.993 ( 4.541 13.758 -0.000) 14.488 6.366 ( -1.664 -0.115 -0.000) 1.668 6.423 ( -5.859 11.142 -0.000) 12.589 6.853 ( -15.054 -18.578 0.000) 23.911 7.347 ( 0.831 -4.620 0.000) 4.694 7.564 ( -1.232 -12.407 0.000) 12.468 7.916 ( 3.994 1.159 0.000) 4.159 8.172 ( -1.857 -11.063 0.000) 11.218 8.381 ( -0.382 22.613 -0.000) 22.616 8.695 ( -2.430 -2.792 0.000) 3.701 8.913 ( 7.065 -10.240 0.000) 12.441 9.041 ( 1.626 -4.797 0.000) 5.065 9.284 ( -5.650 3.224 -0.000) 6.506 9.437 ( 8.217 -4.879 0.000) 9.557 9.478 ( -9.533 1.197 -0.000) 9.608 9.692 ( -9.965 7.900 -0.000) 12.716 9.918 ( -1.351 13.831 -0.000) 13.897 9.920 ( -0.205 -5.851 0.000) 5.855 10.070 ( -0.391 3.928 -0.000) 3.947 10.570 ( -7.101 -6.584 -0.000) 9.683 10.742 ( 4.730 -1.575 0.000) 4.985 10.762 ( -0.117 0.429 -0.000) 0.445 11.490 ( -5.729 0.719 -0.000) 5.774 11.505 ( 1.176 -3.951 0.000) 4.123 12.093 ( 3.912 -6.951 0.000) 7.976 12.254 ( -7.835 2.033 -0.000) 8.095 12.414 ( 9.692 -8.365 0.000) 12.803 12.778 ( -7.939 1.270 -0.000) 8.040 13.264 ( 19.895 -24.261 0.000) 31.375 13.356 ( -3.371 14.570 -0.000) 14.955 14.768 ( 15.564 12.971 0.000) 20.260 15.301 ( 7.663 -0.479 0.000) 7.678 15.801 ( -9.423 11.223 -0.000) 14.654 16.210 ( -3.712 -26.010 0.000) 26.273 17.622 ( 4.080 -14.575 0.000) 15.135 17.737 ( -13.137 9.245 -0.000) 16.064 17.969 ( 6.105 7.952 -0.000) 10.025 18.476 ( -5.645 -13.544 0.000) 14.673 19.963 ( 7.095 0.723 0.000) 7.132 20.123 ( -2.003 3.436 -0.000) 3.977 20.778 ( 7.020 -0.510 0.000) 7.038 21.030 ( -11.454 12.291 -0.000) 16.801 21.529 ( 0.997 -0.754 0.000) 1.250 21.596 ( -3.621 3.204 -0.000) 4.835 ======================= Grid point 16 (14/75) ======================= q-point: (-0.13 -0.03 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.247 3.629 -2.495) 4.410 1.332 ( 2.631 -4.656 -1.454) 5.542 2.021 ( 7.976 2.093 -4.304) 9.302 2.092 ( 6.821 -3.607 -5.146) 9.275 2.145 ( -1.133 3.231 -3.281) 4.743 2.203 ( -0.645 -1.277 -4.855) 5.061 2.642 ( -2.163 4.857 2.528) 5.887 2.763 ( 0.211 -4.648 7.150) 8.531 3.375 ( -0.464 5.221 -2.166) 5.671 3.407 ( -1.687 -0.176 -0.830) 1.888 3.538 ( 12.804 1.551 -12.677) 18.085 3.596 ( -8.102 -3.819 -8.258) 12.183 3.804 ( 4.002 6.033 0.189) 7.242 3.924 ( 11.139 -8.223 -0.985) 13.880 4.390 ( 6.794 10.544 8.944) 15.406 4.572 ( -6.419 -6.291 -0.221) 8.990 4.823 ( 12.460 3.693 2.361) 13.208 4.951 ( -8.722 -9.834 0.551) 13.157 5.106 ( 3.956 11.191 1.083) 11.919 5.345 ( -8.969 -12.781 4.189) 16.166 5.445 ( -1.662 11.549 -5.726) 12.997 5.701 ( -0.570 -13.974 -5.503) 15.030 6.175 ( 11.470 16.654 -2.698) 20.401 6.310 ( -3.738 8.179 0.410) 9.002 6.444 ( 2.617 0.450 -1.586) 3.093 6.573 ( -11.334 -15.327 -4.513) 19.589 7.309 ( -1.175 6.143 5.746) 8.493 7.479 ( -4.110 -11.231 0.001) 11.959 7.924 ( 1.759 6.692 3.362) 7.693 8.028 ( -7.021 -3.675 5.190) 9.473 8.382 ( 4.579 11.031 2.742) 12.254 8.591 ( 4.410 -9.624 9.865) 14.470 8.875 ( -7.584 9.033 2.103) 11.980 9.045 ( 1.274 -8.649 0.445) 8.754 9.283 ( -3.525 4.930 0.418) 6.076 9.395 ( 1.674 -3.430 -3.379) 5.098 9.553 ( -7.385 4.396 -5.608) 10.262 9.631 ( 9.909 -1.176 -1.266) 10.058 9.804 ( -0.567 4.022 5.579) 6.901 9.949 ( 2.529 -9.035 3.112) 9.885 10.204 ( 8.970 8.394 -1.918) 12.433 10.384 ( -8.326 -9.080 -0.945) 12.356 10.833 ( 1.404 2.705 -6.273) 6.974 10.894 ( -0.260 -3.607 -6.911) 7.800 11.384 ( 0.469 6.321 3.081) 7.048 11.495 ( -1.533 -5.679 2.006) 6.215 12.041 ( -4.917 5.575 3.586) 8.254 12.122 ( 0.416 -2.861 3.780) 4.759 12.616 ( -9.621 2.135 -4.843) 10.981 12.663 ( 8.000 -2.847 -3.016) 9.011 13.158 ( -9.368 13.781 5.357) 17.504 13.446 ( 7.966 -16.145 8.281) 19.817 15.087 ( 8.305 9.176 -0.785) 12.401 15.318 ( -5.457 -15.508 1.835) 16.542 15.746 ( 1.460 24.272 -7.948) 25.582 16.245 ( -1.411 -27.285 -7.766) 28.403 17.246 ( -5.391 19.349 17.564) 26.682 17.543 ( 1.341 -12.256 14.633) 19.135 18.189 ( 3.365 8.363 -5.376) 10.496 18.321 ( -6.764 -5.648 -0.303) 8.818 20.064 ( 0.704 4.917 -1.071) 5.082 20.170 ( 1.393 -6.073 -4.339) 7.593 20.889 ( -1.519 7.762 -3.059) 8.480 21.022 ( 4.022 -6.083 -4.978) 8.830 21.541 ( -1.922 2.129 -0.945) 3.020 21.582 ( 3.062 -2.089 -0.763) 3.785 ======================= Grid point 17 (15/75) ======================= q-point: (-0.30 -0.03 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.795 0.739 -1.674) 1.996 1.402 ( 2.629 -5.449 -0.726) 6.094 1.986 ( -7.551 -4.406 -4.589) 9.874 2.261 ( -1.386 -3.241 -5.039) 6.149 2.308 ( -0.053 -2.393 -4.098) 4.746 2.415 ( -0.374 -1.629 -0.266) 1.692 2.487 ( 1.655 -1.320 4.446) 4.924 2.661 ( 1.782 5.328 3.539) 6.640 3.151 ( -15.418 6.574 2.953) 17.020 3.179 ( -12.111 -1.802 1.822) 12.379 3.510 ( -9.257 -10.676 6.286) 15.465 3.801 ( -7.897 -7.033 -7.622) 13.035 3.953 ( -0.122 -4.759 -2.767) 5.507 4.225 ( 9.426 3.079 -2.680) 10.272 4.363 ( -4.960 -13.345 -3.328) 14.621 4.458 ( -9.743 -0.380 -6.025) 11.461 4.757 ( 12.265 -8.954 -4.471) 15.830 5.001 ( -1.563 8.600 3.570) 9.442 5.137 ( 7.140 7.853 10.971) 15.264 5.243 ( 13.575 -1.311 -0.425) 13.644 5.618 ( 4.567 6.795 -3.855) 9.049 5.839 ( 0.862 -9.503 -3.403) 10.130 6.115 ( -11.118 -4.142 4.327) 12.629 6.168 ( -9.762 7.189 3.331) 12.573 6.707 ( 13.386 5.657 -9.547) 17.388 6.788 ( 8.086 0.334 -8.371) 11.644 7.068 ( -5.565 12.800 8.242) 16.209 7.434 ( -2.036 -7.743 -1.959) 8.243 7.708 ( -5.390 -2.355 7.559) 9.578 7.949 ( 2.599 8.881 -2.294) 9.534 8.427 ( 4.020 0.117 3.463) 5.307 8.499 ( 7.037 -8.904 10.661) 15.571 8.817 ( 1.521 6.895 -2.143) 7.378 8.983 ( -2.733 0.520 0.694) 2.867 9.320 ( 2.704 -3.120 -0.929) 4.232 9.411 ( -5.156 12.672 -4.305) 14.342 9.530 ( 2.125 -4.791 0.376) 5.254 9.710 ( 4.277 1.392 5.136) 6.827 9.822 ( 4.961 -0.042 1.006) 5.062 10.084 ( 8.148 -9.917 0.770) 12.858 10.253 ( -4.949 -6.663 -4.958) 9.668 10.324 ( 2.575 7.129 2.797) 8.079 10.997 ( -2.432 -3.068 -5.632) 6.859 11.084 ( 1.195 -1.762 -2.753) 3.481 11.250 ( -5.449 -0.741 1.083) 5.605 11.376 ( 0.092 4.110 4.068) 5.783 11.852 ( -6.152 4.508 2.007) 7.887 12.063 ( -2.096 3.670 0.940) 4.330 12.591 ( -3.697 0.940 -6.101) 7.195 12.813 ( -10.819 7.200 2.331) 13.203 12.874 ( 4.930 0.678 -3.289) 5.965 13.396 ( 6.091 -10.495 9.259) 15.264 14.825 ( -18.274 -3.231 3.447) 18.875 15.438 ( 6.139 -3.819 -2.528) 7.659 16.031 ( 3.967 22.490 -11.074) 25.380 16.362 ( -2.134 -13.993 -2.301) 14.341 16.915 ( 2.051 9.531 6.545) 11.742 17.170 ( -1.316 -13.506 17.613) 22.234 18.234 ( -2.680 2.221 -1.222) 3.689 18.352 ( 4.049 6.470 -3.005) 8.203 20.070 ( -3.370 2.368 -1.562) 4.405 20.252 ( 0.146 -5.498 -1.216) 5.633 20.808 ( -8.694 0.859 -1.827) 8.926 21.258 ( 7.394 -1.690 -0.439) 7.597 21.546 ( 0.537 -0.787 -0.930) 1.331 21.747 ( 9.462 -0.807 -2.759) 9.889 ======================= Grid point 18 (16/75) ======================= q-point: ( 0.53 -0.03 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.851 0.256 0.573) 1.057 1.471 ( 3.403 -2.456 1.851) 4.587 1.843 ( -8.399 -0.397 5.689) 10.152 2.049 ( -13.436 9.267 8.374) 18.344 2.230 ( -3.730 -3.553 -1.466) 5.356 2.348 ( -2.924 -3.242 1.307) 4.558 2.546 ( -8.376 1.562 -2.126) 8.782 2.593 ( 3.265 1.879 -0.284) 3.778 2.896 ( -3.958 0.703 4.212) 5.822 2.957 ( -4.433 -2.365 -1.575) 5.266 3.032 ( -11.963 -7.133 4.623) 14.676 3.752 ( -5.939 2.112 0.637) 6.335 3.834 ( -8.477 -3.338 3.066) 9.613 4.085 ( -3.175 5.546 9.113) 11.130 4.300 ( -0.625 -3.719 -0.946) 3.887 4.860 ( 11.601 13.742 9.635) 20.403 4.981 ( 5.758 1.246 -0.666) 5.928 5.032 ( 8.315 4.108 -2.596) 9.631 5.176 ( 8.990 -7.667 -6.164) 13.326 5.581 ( 8.474 -2.658 -1.786) 9.059 5.661 ( -8.300 3.514 2.772) 9.430 5.773 ( -5.580 5.411 5.952) 9.790 5.810 ( -1.851 -7.072 -2.507) 7.729 6.001 ( -7.299 -10.207 -9.315) 15.627 6.773 ( -3.826 12.971 7.182) 15.313 7.067 ( 4.408 -4.885 -5.858) 8.810 7.105 ( 5.012 2.578 -5.516) 7.887 7.475 ( -2.817 1.945 -3.880) 5.175 7.609 ( 5.861 -10.040 1.211) 11.689 8.124 ( 2.273 11.988 -7.306) 14.222 8.370 ( 3.709 -8.235 11.074) 14.290 8.482 ( 2.920 2.166 0.780) 3.718 8.941 ( 2.519 -2.492 -3.246) 4.805 8.955 ( 1.306 -2.637 -0.652) 3.014 9.311 ( -2.721 -3.630 -0.151) 4.539 9.402 ( -4.955 11.712 -4.070) 13.353 9.653 ( 4.021 -0.312 -0.322) 4.046 9.785 ( 10.734 6.089 -1.017) 12.383 9.941 ( 2.865 -3.101 -0.950) 4.327 10.054 ( 5.019 -6.217 4.291) 9.069 10.254 ( -0.349 -0.544 4.055) 4.106 10.463 ( 6.685 1.563 -0.464) 6.881 10.719 ( -14.819 -1.128 0.870) 14.888 10.991 ( -1.859 0.576 1.291) 2.336 11.223 ( -4.844 6.438 5.142) 9.557 11.421 ( -0.871 -7.065 -5.754) 9.153 11.816 ( 1.274 0.749 -3.877) 4.149 11.908 ( -10.137 0.915 -1.153) 10.244 12.643 ( -4.330 0.138 -4.106) 5.969 12.679 ( 1.467 0.114 1.154) 1.870 13.003 ( 0.972 1.921 -1.657) 2.717 13.408 ( 9.184 -3.655 3.805) 10.592 14.350 ( -18.076 -1.804 2.285) 18.309 15.529 ( 0.991 0.298 2.344) 2.562 16.177 ( 0.039 14.102 6.628) 15.582 16.394 ( 0.879 11.304 -12.320) 16.743 16.847 ( -0.383 -12.126 10.335) 15.937 17.054 ( 3.848 -13.956 -7.920) 16.502 18.251 ( 0.382 1.992 -2.254) 3.033 18.488 ( 3.120 3.332 -2.105) 5.027 19.971 ( -4.675 0.174 1.917) 5.056 20.241 ( -0.775 -1.035 0.930) 1.593 20.647 ( -5.927 0.259 1.040) 6.023 21.350 ( 2.417 -0.905 -0.429) 2.617 21.578 ( 1.338 -2.084 0.459) 2.519 22.017 ( 9.541 1.021 -0.370) 9.603 ======================= Grid point 19 (17/75) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -0.000 0.120 -0.624) 0.635 1.516 ( -0.000 2.590 -2.228) 3.416 1.750 ( -0.000 -0.204 -7.566) 7.569 1.833 ( 0.000 -11.253 -11.130) 15.828 2.167 ( -0.000 12.456 5.445) 13.594 2.301 ( 0.000 -3.175 -3.784) 4.940 2.486 ( -0.000 5.661 3.131) 6.470 2.639 ( 0.000 -3.920 -2.466) 4.631 2.837 ( -0.000 10.593 -4.328) 11.443 2.872 ( 0.000 -2.452 -0.704) 2.551 2.957 ( 0.000 -4.307 -2.827) 5.151 3.636 ( -0.000 4.565 0.834) 4.640 3.764 ( 0.000 -1.851 -3.569) 4.021 4.047 ( 0.000 -2.542 -8.045) 8.437 4.314 ( -0.000 2.834 -0.229) 2.844 4.977 ( 0.000 -10.412 6.447) 12.246 5.045 ( 0.000 -13.458 -12.320) 18.245 5.205 ( 0.000 -8.825 -3.034) 9.332 5.349 ( 0.000 -3.782 -5.515) 6.687 5.417 ( -0.000 15.157 4.442) 15.794 5.643 ( -0.000 5.060 3.845) 6.355 5.751 ( -0.000 2.882 1.797) 3.396 5.804 ( -0.000 5.036 5.949) 7.794 5.907 ( -0.000 6.406 3.139) 7.134 6.723 ( 0.000 -11.560 -4.749) 12.498 7.116 ( -0.000 2.282 3.136) 3.879 7.161 ( 0.000 0.169 4.805) 4.808 7.446 ( 0.000 -2.670 3.302) 4.246 7.684 ( -0.000 7.450 1.212) 7.548 8.143 ( 0.000 -14.103 7.702) 16.069 8.422 ( -0.000 10.788 -13.983) 17.661 8.513 ( 0.000 -3.056 0.001) 3.056 8.958 ( -0.000 7.951 2.164) 8.240 8.983 ( -0.000 1.340 2.067) 2.463 9.292 ( 0.000 -10.014 4.699) 11.061 9.328 ( -0.000 2.207 -0.595) 2.285 9.677 ( 0.000 -4.682 2.157) 5.155 9.911 ( 0.000 -0.310 0.042) 0.313 10.078 ( 0.000 -0.910 0.048) 0.911 10.096 ( 0.000 -5.275 8.098) 9.664 10.262 ( -0.000 12.440 -17.009) 21.072 10.499 ( 0.000 -1.065 0.065) 1.067 10.525 ( 0.000 -0.464 0.319) 0.563 11.020 ( 0.000 -0.989 0.313) 1.037 11.110 ( 0.000 -5.970 -6.780) 9.034 11.398 ( -0.000 6.084 6.033) 8.568 11.775 ( 0.000 -0.176 0.443) 0.477 11.842 ( 0.000 -1.149 4.230) 4.383 12.591 ( -0.000 0.823 3.474) 3.570 12.705 ( 0.000 -0.955 -0.277) 0.995 13.011 ( 0.000 -1.315 1.073) 1.698 13.548 ( -0.000 2.346 -2.091) 3.143 14.111 ( -0.000 2.420 -3.722) 4.440 15.536 ( 0.000 -1.137 -3.265) 3.457 16.173 ( 0.000 -10.645 -5.656) 12.054 16.408 ( 0.000 -13.438 12.937) 18.653 16.843 ( -0.000 11.748 -10.190) 15.551 17.101 ( -0.000 13.409 7.074) 15.160 18.257 ( 0.000 -2.258 2.962) 3.725 18.523 ( 0.000 -3.689 2.296) 4.345 19.913 ( -0.000 1.503 -2.333) 2.776 20.232 ( -0.000 0.083 -1.138) 1.141 20.580 ( -0.000 0.375 -1.019) 1.086 21.377 ( -0.000 0.362 0.187) 0.407 21.594 ( -0.000 2.624 -0.487) 2.669 22.129 ( 0.000 -1.154 0.961) 1.502 ======================= Grid point 20 (18/75) ======================= q-point: ( 0.38 -0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.630 0.976 2.293) 2.571 1.469 ( -3.138 7.291 1.486) 8.075 1.863 ( 2.266 12.183 1.305) 12.461 2.163 ( 6.577 9.565 4.319) 12.386 2.262 ( 9.816 -4.587 -8.957) 14.058 2.325 ( 0.732 6.151 1.547) 6.384 2.547 ( 7.107 -1.962 -3.420) 8.127 2.628 ( -2.908 -0.862 -2.964) 4.241 2.919 ( 2.633 0.489 1.663) 3.152 2.932 ( 8.768 1.546 0.528) 8.919 3.293 ( 8.538 15.939 -16.992) 24.813 3.677 ( 3.516 10.959 17.018) 20.545 3.827 ( 12.421 1.899 -2.835) 12.882 4.036 ( 7.435 5.038 4.968) 10.264 4.336 ( -2.014 2.650 -4.996) 6.003 4.656 ( -11.393 9.848 23.723) 28.099 4.988 ( -6.916 -6.578 -2.522) 9.872 5.046 ( -6.266 -4.795 1.734) 8.078 5.293 ( -8.714 -1.149 -9.598) 13.014 5.533 ( -10.141 -1.912 2.643) 10.653 5.712 ( 0.978 -5.884 -2.957) 6.657 5.774 ( 11.728 10.278 0.723) 15.611 5.802 ( 3.745 2.740 1.545) 4.891 6.054 ( 3.897 -8.044 -12.561) 15.416 6.844 ( 2.437 4.710 1.734) 5.579 6.987 ( -8.613 -8.838 4.296) 13.067 7.030 ( -3.456 -13.475 -2.143) 14.075 7.373 ( 1.943 -3.178 4.980) 6.219 7.652 ( 1.197 4.126 -2.220) 4.836 7.983 ( -0.668 -9.663 5.469) 11.123 8.502 ( -2.921 -2.393 -2.908) 4.766 8.633 ( -4.813 15.379 -10.825) 19.413 8.897 ( -4.317 -1.545 1.733) 4.902 8.956 ( -0.151 -4.935 -0.889) 5.017 9.231 ( 6.864 -8.419 5.793) 12.310 9.343 ( 1.024 2.093 0.655) 2.420 9.664 ( -4.895 1.548 -0.503) 5.159 9.823 ( -5.319 -2.033 -4.079) 7.004 9.915 ( -3.528 -0.824 0.427) 3.648 10.117 ( -0.805 4.908 -2.112) 5.403 10.349 ( -8.238 6.872 -2.740) 11.073 10.408 ( -5.818 -3.609 1.995) 7.131 10.924 ( 7.059 1.812 -5.098) 8.894 10.949 ( 6.387 2.692 -5.687) 8.966 11.197 ( 3.614 6.117 10.198) 12.429 11.370 ( 0.358 -6.022 -3.756) 7.106 11.752 ( 2.454 -8.699 1.992) 9.256 11.919 ( 9.133 -3.653 -1.846) 10.008 12.541 ( 4.111 -3.532 5.165) 7.487 12.653 ( 1.094 -3.647 4.406) 5.824 12.951 ( -2.253 -1.161 2.225) 3.373 13.516 ( -5.087 7.902 -5.251) 10.766 14.450 ( 14.763 7.316 -7.503) 18.104 15.502 ( -0.658 4.530 4.878) 6.690 16.112 ( -3.089 -20.114 10.858) 23.065 16.319 ( 1.742 5.964 -2.803) 6.816 16.975 ( -3.005 -4.585 -1.136) 5.599 17.146 ( 0.803 11.499 -17.313) 20.799 18.197 ( 0.931 -5.741 3.018) 6.552 18.428 ( -2.656 -7.859 3.541) 9.020 19.983 ( 3.867 3.005 0.932) 4.985 20.252 ( 0.119 3.032 -0.142) 3.038 20.653 ( 5.232 1.987 -0.103) 5.597 21.379 ( -3.747 0.497 -2.962) 4.802 21.572 ( -1.381 2.493 0.954) 3.005 21.959 ( -8.628 -1.139 5.010) 10.041 ======================= Grid point 21 (19/75) ======================= q-point: ( 0.22 -0.05 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -0.158 -0.343 2.747) 2.773 1.387 ( -2.427 8.239 0.506) 8.604 1.913 ( 6.908 13.277 2.113) 15.115 2.135 ( 2.349 11.151 6.202) 12.974 2.239 ( -4.130 0.127 1.470) 4.386 2.362 ( -9.856 0.599 2.660) 10.226 2.577 ( 2.360 -3.857 -2.612) 5.222 2.809 ( -2.343 -0.227 -9.325) 9.618 3.140 ( 17.324 -6.946 5.456) 19.446 3.221 ( 13.315 3.303 -0.975) 13.754 3.422 ( 7.561 11.075 6.273) 14.805 3.773 ( -5.611 6.231 6.506) 10.613 3.829 ( 1.898 12.287 4.514) 13.227 4.071 ( -3.509 11.839 -0.448) 12.356 4.432 ( 14.061 -5.489 -0.112) 15.094 4.508 ( 9.246 10.946 -11.052) 18.096 4.657 ( -9.188 2.427 3.859) 10.257 4.974 ( -0.001 -2.807 5.364) 6.054 5.254 ( -2.231 7.016 -0.117) 7.363 5.316 ( -11.980 -13.701 -5.685) 19.067 5.524 ( -8.540 -4.709 4.580) 10.774 5.765 ( -3.005 4.553 2.554) 6.024 6.178 ( 14.077 4.359 -2.127) 14.889 6.273 ( -0.048 -3.020 -4.524) 5.440 6.531 ( -16.657 -13.189 6.247) 22.146 6.650 ( -8.414 1.504 4.438) 9.630 7.222 ( 5.323 -8.837 -6.179) 12.025 7.390 ( 5.032 0.659 2.289) 5.567 7.860 ( 7.567 0.916 -5.965) 9.679 7.938 ( 0.376 -10.470 -0.896) 10.515 8.515 ( -5.328 -3.537 -5.089) 8.173 8.719 ( -5.819 17.045 -8.838) 20.063 8.763 ( 0.199 -10.466 3.134) 10.927 8.981 ( 4.621 -5.701 1.420) 7.475 9.303 ( 1.561 -3.608 3.487) 5.255 9.328 ( 1.209 1.024 -2.067) 2.604 9.553 ( -4.185 3.895 0.408) 5.732 9.793 ( -2.418 -2.953 -1.367) 4.054 9.868 ( -9.051 2.217 -2.185) 9.571 10.070 ( -8.493 7.942 -1.278) 11.698 10.206 ( 6.483 10.747 0.476) 12.560 10.373 ( -5.556 -8.119 -1.888) 10.018 10.851 ( 3.052 3.013 7.064) 8.264 10.890 ( -3.205 -0.666 10.317) 10.824 11.386 ( 1.117 -3.289 -5.801) 6.761 11.454 ( 1.516 1.455 -3.512) 4.093 11.902 ( 6.988 -8.318 -2.339) 11.113 12.120 ( 3.498 -5.751 -4.979) 8.373 12.445 ( 3.558 -1.837 7.981) 8.929 12.799 ( 0.569 -4.426 1.656) 4.760 12.889 ( 10.420 -6.631 -2.519) 12.605 13.559 ( -2.909 12.129 -5.626) 13.684 14.940 ( 14.278 8.586 -7.621) 18.321 15.346 ( -2.455 4.058 6.380) 7.950 15.827 ( -4.686 -22.742 7.658) 24.450 16.261 ( -2.834 25.202 5.113) 25.871 17.136 ( 4.336 -21.269 -11.175) 24.414 17.556 ( 0.300 7.227 -18.047) 19.442 18.187 ( 5.083 0.247 3.845) 6.378 18.277 ( -4.078 -10.749 3.742) 12.091 20.021 ( 3.616 0.346 2.621) 4.479 20.217 ( -2.084 4.956 1.816) 5.675 20.770 ( 5.530 -0.525 1.218) 5.687 21.238 ( -11.404 3.875 1.696) 12.163 21.523 ( -0.394 -0.157 0.961) 1.051 21.685 ( -6.006 2.411 2.563) 6.961 ======================= Grid point 22 (20/75) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.452 -4.662 0.000) 4.684 1.315 ( -3.624 5.416 -0.000) 6.517 1.975 ( -15.456 -0.245 -0.000) 15.458 2.034 ( -2.056 3.090 -0.000) 3.712 2.104 ( 1.329 0.232 0.000) 1.349 2.158 ( 0.814 0.020 0.000) 0.814 2.672 ( 5.998 -8.726 0.000) 10.589 2.878 ( -5.878 9.608 -0.000) 11.264 3.230 ( -2.432 -6.930 0.000) 7.344 3.323 ( 3.321 -0.153 0.000) 3.325 3.506 ( -3.581 -3.225 -0.000) 4.819 3.539 ( 2.652 3.165 -0.000) 4.129 3.843 ( -9.491 0.001 -0.000) 9.491 3.876 ( -10.472 2.631 -0.000) 10.798 4.507 ( 0.170 -5.070 0.000) 5.072 4.577 ( 6.478 2.027 0.000) 6.788 4.880 ( -6.404 -1.038 -0.000) 6.487 4.925 ( -4.912 2.072 -0.000) 5.331 5.124 ( -11.956 -11.818 0.000) 16.811 5.315 ( 5.213 -4.061 0.000) 6.608 5.448 ( 20.647 10.466 0.000) 23.149 5.611 ( -3.828 14.633 -0.000) 15.125 6.151 ( -10.445 -19.259 0.000) 21.909 6.310 ( 3.823 -8.877 0.000) 9.665 6.427 ( -6.617 -0.480 -0.000) 6.634 6.535 ( 14.124 17.611 -0.000) 22.575 7.381 ( -1.137 -2.385 0.000) 2.642 7.467 ( 7.139 7.073 -0.000) 10.049 7.963 ( -0.368 -6.870 0.000) 6.880 8.084 ( 5.687 6.132 -0.000) 8.363 8.417 ( -4.970 -16.838 0.000) 17.556 8.720 ( -4.098 13.870 -0.000) 14.463 8.910 ( 10.899 -8.826 0.000) 14.025 9.044 ( -2.163 5.017 -0.000) 5.464 9.293 ( 5.122 -0.221 0.000) 5.127 9.322 ( -7.300 2.615 -0.000) 7.755 9.476 ( 7.959 -8.330 0.000) 11.521 9.633 ( -9.982 6.797 -0.000) 12.076 9.880 ( 3.583 -3.637 0.000) 5.106 9.991 ( -5.401 6.403 -0.000) 8.377 10.175 ( -9.669 -10.204 0.000) 14.057 10.374 ( 9.815 10.298 -0.000) 14.226 10.760 ( 0.244 -1.985 0.000) 2.000 10.810 ( -0.797 3.768 -0.000) 3.852 11.419 ( 0.765 -5.738 0.000) 5.789 11.513 ( 0.328 4.608 -0.000) 4.620 12.083 ( 7.673 -5.945 0.000) 9.707 12.173 ( -3.964 3.553 -0.000) 5.323 12.557 ( 12.320 -3.564 0.000) 12.825 12.629 ( -9.355 4.044 -0.000) 10.192 13.218 ( 9.959 -15.550 0.000) 18.466 13.540 ( -7.099 17.763 -0.000) 19.129 15.079 ( -11.624 -10.289 -0.000) 15.524 15.343 ( 7.141 17.694 -0.000) 19.081 15.658 ( 0.033 -23.371 0.000) 23.371 16.153 ( 0.742 27.539 -0.000) 27.549 17.472 ( 10.952 -18.114 0.000) 21.168 17.716 ( -4.370 8.097 -0.000) 9.201 18.107 ( -6.285 -11.148 0.000) 12.798 18.311 ( 9.167 10.181 -0.000) 13.699 20.067 ( 3.151 -1.102 0.000) 3.338 20.101 ( -5.453 2.442 -0.000) 5.975 20.850 ( 5.731 -7.095 0.000) 9.121 20.963 ( -10.058 4.759 -0.000) 11.128 21.530 ( 2.105 -2.265 0.000) 3.092 21.574 ( -3.145 2.172 -0.000) 3.822 ======================= Grid point 23 (21/75) ======================= q-point: (-0.12 -0.05 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -0.594 -5.673 -3.121) 6.502 1.270 ( -3.254 0.432 -3.759) 4.991 1.697 ( -15.590 -8.901 -8.180) 19.728 1.916 ( -8.693 -10.773 -8.386) 16.185 2.178 ( 0.190 -7.881 0.191) 7.885 2.326 ( 7.512 -1.272 -4.624) 8.913 2.630 ( -2.622 0.945 6.992) 7.527 2.813 ( 2.687 0.264 2.578) 3.733 3.126 ( -20.915 -9.125 -2.075) 22.913 3.226 ( -15.005 -6.770 -9.571) 19.042 3.240 ( -16.499 1.424 -0.695) 16.575 3.606 ( -10.700 -7.021 -1.152) 12.850 3.739 ( -2.168 -4.910 -13.635) 14.653 3.806 ( 4.772 -10.443 -5.444) 12.707 4.210 ( -10.308 -10.476 14.034) 20.321 4.529 ( -10.607 4.567 1.534) 11.650 4.778 ( 10.539 3.583 -1.489) 11.230 4.976 ( -0.149 -2.186 -8.757) 9.027 5.126 ( 2.271 -3.935 -2.650) 5.260 5.476 ( 3.771 -4.821 -3.477) 7.039 5.606 ( 11.529 14.560 6.199) 19.579 5.819 ( 4.976 2.568 1.643) 5.835 5.985 ( -5.244 -6.295 0.319) 8.200 6.350 ( 0.753 -0.754 1.121) 1.547 6.462 ( 4.910 -10.266 -3.312) 11.852 6.886 ( 14.896 17.128 -3.251) 22.930 7.306 ( 0.274 2.254 3.751) 4.385 7.546 ( 0.732 13.994 1.984) 14.153 7.845 ( -4.698 -1.206 6.364) 8.001 8.133 ( 1.958 8.488 3.004) 9.214 8.349 ( 0.656 -17.634 2.816) 17.869 8.561 ( 1.340 0.189 8.035) 8.149 8.930 ( -2.030 6.861 0.015) 7.155 9.091 ( 5.712 4.429 1.544) 7.391 9.274 ( -2.512 1.166 -2.796) 3.935 9.426 ( -8.395 2.988 -2.726) 9.318 9.501 ( 9.101 -0.956 0.919) 9.197 9.777 ( 11.216 -10.201 -6.099) 16.342 9.840 ( 4.370 -5.455 5.316) 8.782 9.931 ( -0.820 4.503 0.677) 4.627 10.051 ( -3.071 -5.759 0.094) 6.527 10.514 ( 3.294 4.555 3.427) 6.583 10.811 ( -2.482 0.437 -5.933) 6.446 10.887 ( 0.833 -0.700 -8.936) 9.002 11.388 ( 0.693 -1.768 8.907) 9.107 11.505 ( -0.584 5.074 0.142) 5.109 12.029 ( -3.233 4.228 4.964) 7.278 12.203 ( 3.459 3.358 3.834) 6.159 12.497 ( -5.339 3.851 -5.911) 8.847 12.806 ( 7.136 -0.858 -2.584) 7.638 13.134 ( -16.120 12.180 9.066) 22.145 13.342 ( 3.018 -6.187 3.087) 7.544 14.769 ( -17.401 -8.008 -0.057) 19.155 15.346 ( -4.263 0.170 -3.719) 5.660 15.827 ( 7.747 -15.895 -3.400) 18.006 16.300 ( 3.075 25.762 -7.444) 26.991 17.344 ( 3.171 -15.402 23.967) 28.666 17.505 ( -1.976 16.781 11.274) 20.312 18.160 ( 1.141 -3.089 -7.918) 8.575 18.456 ( 5.215 8.412 1.529) 10.015 19.979 ( -6.037 -4.407 -1.882) 7.708 20.169 ( 0.502 0.553 -3.398) 3.480 20.748 ( -7.998 -3.166 0.422) 8.612 21.170 ( 11.232 -2.981 -8.489) 14.391 21.527 ( -0.959 0.332 -0.119) 1.022 21.634 ( 5.566 -2.882 -3.527) 7.192 ======================= Grid point 24 (22/75) ======================= q-point: (-0.28 -0.05 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.094 -1.406 -3.235) 3.528 1.369 ( 0.522 -2.616 -8.092) 8.521 1.645 ( -7.559 -9.768 -9.969) 15.873 1.908 ( -14.293 -15.939 -7.352) 22.636 2.192 ( 0.753 -8.058 -2.719) 8.538 2.396 ( -7.315 8.577 5.378) 12.490 2.531 ( 0.943 -10.079 -2.576) 10.446 2.600 ( -10.647 3.160 0.542) 11.120 2.833 ( -3.075 -4.256 -2.703) 5.906 2.934 ( -9.604 -1.991 -3.177) 10.310 3.125 ( -8.694 -4.286 9.224) 13.380 3.529 ( -5.709 -2.532 -23.189) 24.015 3.791 ( -6.586 -10.305 -0.624) 12.246 3.852 ( -6.359 -3.332 -3.141) 7.836 4.338 ( -0.176 0.799 2.294) 2.436 4.442 ( 10.416 -10.949 -23.346) 27.810 5.034 ( 6.161 -5.259 -3.395) 8.783 5.119 ( 2.675 4.024 2.273) 5.340 5.231 ( 3.798 -5.074 -1.678) 6.556 5.580 ( -4.317 -5.660 -0.634) 7.146 5.693 ( 10.914 10.123 8.134) 16.964 5.722 ( -2.361 0.335 0.297) 2.403 5.903 ( 0.875 8.543 4.828) 9.852 6.217 ( -4.915 6.933 10.329) 13.376 6.627 ( 0.427 -14.806 -5.735) 15.884 7.144 ( 4.320 5.950 1.753) 7.558 7.262 ( 2.970 8.246 7.804) 11.735 7.494 ( -0.204 9.650 -0.943) 9.698 7.650 ( 2.014 4.073 4.637) 6.492 8.155 ( 0.897 7.677 -6.037) 9.807 8.282 ( 0.157 -16.761 4.855) 17.451 8.508 ( 3.023 -3.365 3.024) 5.441 8.965 ( 3.118 5.559 0.116) 6.375 9.051 ( 1.395 5.335 6.929) 8.855 9.278 ( -2.507 3.249 -3.232) 5.224 9.400 ( -4.987 -1.904 -4.444) 6.946 9.671 ( 6.813 1.510 0.797) 7.024 9.856 ( 6.361 -9.696 4.638) 12.489 9.919 ( 2.161 8.659 -1.577) 9.062 10.015 ( 7.311 -3.255 1.294) 8.107 10.191 ( 6.954 -8.486 -3.071) 11.392 10.463 ( 1.506 1.710 2.010) 3.038 10.871 ( -9.403 -3.143 4.397) 10.845 10.916 ( -5.273 -1.127 2.596) 5.985 11.103 ( -5.687 -3.945 -5.282) 8.706 11.487 ( -0.597 6.428 0.819) 6.508 11.894 ( -0.147 5.613 3.132) 6.429 11.983 ( -10.451 3.150 6.010) 12.460 12.606 ( 0.494 2.387 -4.675) 5.272 12.720 ( -5.055 3.953 2.106) 6.754 12.983 ( 1.586 1.566 -3.204) 3.904 13.389 ( 7.427 -4.125 1.268) 8.590 14.347 ( -17.636 -3.332 1.798) 18.038 15.411 ( -2.053 -6.022 -8.434) 10.565 16.047 ( 3.322 -15.877 -4.850) 16.931 16.499 ( 1.394 18.438 -5.185) 19.204 16.892 ( -0.091 -14.214 17.288) 22.381 17.259 ( 1.452 19.769 10.806) 22.576 18.283 ( 1.791 2.892 0.339) 3.419 18.517 ( 3.062 1.627 0.848) 3.570 19.913 ( -5.172 -4.155 -3.389) 7.450 20.214 ( -0.756 -0.997 -1.641) 2.064 20.612 ( -5.516 -2.096 -1.702) 6.141 21.386 ( 3.183 1.252 2.313) 4.129 21.554 ( 1.179 0.864 -1.640) 2.197 21.966 ( 10.568 -0.362 -5.492) 11.916 ======================= Grid point 25 (23/75) ======================= q-point: (-0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 -13.978 -18.083) 22.856 1.289 ( 0.000 -1.570 -5.980) 6.183 1.307 ( -0.000 -1.383 -23.457) 23.497 1.511 ( -0.000 -0.826 -6.150) 6.205 2.081 ( 0.000 -6.091 -5.218) 8.021 2.325 ( 0.000 -4.389 -3.899) 5.871 2.381 ( 0.000 -14.266 -27.167) 30.685 2.505 ( -0.000 1.177 -1.168) 1.658 2.768 ( 0.000 -0.845 -2.532) 2.669 2.816 ( -0.000 10.480 -2.392) 10.749 3.034 ( -0.000 6.059 1.096) 6.158 3.447 ( 0.000 -4.871 -14.803) 15.584 3.555 ( 0.000 -10.009 -10.581) 14.565 3.795 ( -0.000 5.908 1.130) 6.015 4.253 ( 0.000 -16.129 -16.873) 23.341 4.421 ( -0.000 5.452 1.552) 5.669 4.799 ( 0.000 -13.470 -7.744) 15.538 5.094 ( 0.000 -6.822 -6.416) 9.365 5.261 ( 0.000 1.858 13.387) 13.515 5.727 ( -0.000 10.773 -2.010) 10.959 5.781 ( -0.000 6.988 -6.086) 9.267 5.946 ( -0.000 4.252 7.022) 8.209 6.069 ( -0.000 5.383 5.875) 7.968 6.196 ( 0.000 -0.704 8.733) 8.762 6.388 ( 0.000 -9.992 1.980) 10.187 7.229 ( 0.000 0.168 6.926) 6.928 7.436 ( -0.000 5.670 12.017) 13.288 7.504 ( 0.000 -2.466 5.601) 6.120 7.926 ( -0.000 14.068 -0.294) 14.071 8.027 ( 0.000 -7.063 3.358) 7.821 8.265 ( -0.000 3.406 -10.657) 11.188 8.431 ( 0.000 -7.748 1.789) 7.952 9.099 ( 0.000 -1.217 3.668) 3.865 9.160 ( 0.000 -10.157 6.170) 11.885 9.224 ( -0.000 6.899 4.332) 8.147 9.357 ( -0.000 6.539 -5.265) 8.395 9.657 ( 0.000 -4.616 2.350) 5.180 9.836 ( 0.000 -4.515 -4.117) 6.110 10.054 ( 0.000 -5.501 0.339) 5.511 10.066 ( 0.000 -2.842 2.001) 3.476 10.251 ( -0.000 3.351 -0.992) 3.495 10.490 ( -0.000 1.412 2.008) 2.455 10.559 ( 0.000 -1.211 3.555) 3.756 10.774 ( 0.000 -7.431 -8.466) 11.265 10.998 ( -0.000 0.837 -1.133) 1.409 11.577 ( -0.000 4.586 -3.293) 5.646 11.886 ( 0.000 1.785 9.655) 9.818 11.980 ( -0.000 2.510 5.401) 5.956 12.640 ( 0.000 -0.916 -3.565) 3.681 12.757 ( -0.000 5.288 5.249) 7.451 12.992 ( 0.000 -1.645 -0.293) 1.671 13.529 ( -0.000 4.561 -4.683) 6.537 14.057 ( 0.000 -1.224 -2.529) 2.810 15.215 ( 0.000 -8.591 -13.190) 15.741 15.889 ( 0.000 -6.297 -2.361) 6.725 16.483 ( 0.000 -16.284 18.258) 24.465 16.910 ( -0.000 12.226 -5.827) 13.544 17.632 ( -0.000 16.017 8.375) 18.075 18.346 ( 0.000 0.156 7.315) 7.317 18.526 ( 0.000 -3.450 5.509) 6.500 19.804 ( -0.000 -1.243 -8.121) 8.215 20.167 ( 0.000 -1.461 -3.319) 3.627 20.534 ( -0.000 -0.309 -2.405) 2.425 21.428 ( 0.000 0.421 2.837) 2.868 21.641 ( -0.000 5.230 -2.684) 5.878 22.121 ( -0.000 1.356 -0.374) 1.406 ======================= Grid point 26 (24/75) ======================= q-point: (-0.43 -0.07 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -1.616 0.007 -1.719) 2.359 1.545 ( -3.399 4.615 -4.346) 7.193 1.862 ( 6.650 0.779 -12.604) 14.272 1.892 ( 17.459 -6.140 -14.768) 23.677 2.172 ( -2.268 -5.509 -7.800) 9.815 2.452 ( -5.635 -0.565 -3.910) 6.882 2.517 ( 9.589 6.233 -0.245) 11.439 2.644 ( 0.844 5.202 8.494) 9.996 2.798 ( 2.070 -7.390 -1.483) 7.817 2.965 ( 10.548 -0.613 -3.195) 11.038 3.342 ( 10.368 21.008 -16.455) 28.629 3.600 ( -0.992 -12.700 -6.484) 14.294 3.924 ( 12.086 4.291 -1.717) 12.940 4.044 ( 1.728 1.944 -18.552) 18.733 4.363 ( -2.725 -2.945 -6.380) 7.537 4.599 ( -0.015 -4.659 -5.698) 7.361 4.866 ( -2.391 -9.243 8.696) 12.913 4.939 ( -2.162 -8.314 -0.431) 8.601 5.212 ( -3.770 -3.313 -4.610) 6.814 5.595 ( -7.355 0.731 -2.312) 7.744 5.716 ( -3.419 8.453 9.146) 12.915 5.801 ( -6.434 5.573 3.812) 9.326 5.957 ( 5.024 7.382 2.237) 9.206 6.155 ( 5.676 4.818 6.478) 9.869 6.491 ( 3.494 -14.518 -9.509) 17.703 7.018 ( -5.692 -3.479 9.125) 11.303 7.167 ( -3.647 3.499 10.296) 11.470 7.426 ( 5.345 -2.866 5.704) 8.326 7.846 ( -3.691 9.110 1.760) 9.986 7.949 ( -0.173 -1.584 5.042) 5.288 8.387 ( -1.827 -5.997 -0.257) 6.275 8.496 ( -4.121 3.795 -12.983) 14.140 8.919 ( -3.472 -11.596 7.407) 14.191 9.006 ( -1.051 2.400 4.862) 5.523 9.125 ( 0.997 -6.161 4.918) 7.947 9.487 ( 0.521 10.624 -4.023) 11.372 9.665 ( -0.345 2.391 -2.875) 3.755 9.754 ( -9.836 1.605 0.063) 9.966 9.937 ( -2.365 -2.325 1.833) 3.789 10.099 ( 0.240 -3.069 -3.723) 4.831 10.290 ( -5.462 2.430 -6.063) 8.515 10.420 ( -4.333 -2.442 0.932) 5.060 10.775 ( 13.646 5.023 -4.067) 15.099 10.973 ( 2.947 -1.158 -3.220) 4.516 11.085 ( 4.859 -7.611 -4.492) 10.085 11.574 ( -0.342 8.171 7.965) 11.416 11.795 ( -0.075 -1.290 7.874) 7.979 11.872 ( 9.347 -2.829 4.060) 10.576 12.639 ( 1.427 -0.210 5.256) 5.450 12.672 ( 1.122 -0.677 3.011) 3.284 12.962 ( -1.677 -1.679 1.327) 2.719 13.505 ( -6.902 5.284 -6.833) 11.057 14.405 ( 16.831 3.292 -6.119) 18.209 15.508 ( 1.389 -2.343 -9.992) 10.356 15.906 ( -3.767 -10.292 -3.190) 11.414 16.139 ( 0.036 -12.924 12.847) 18.223 17.070 ( 0.531 9.266 -8.648) 12.686 17.408 ( -2.236 19.533 9.936) 22.028 18.187 ( -0.278 -4.390 5.601) 7.122 18.375 ( -1.964 -7.651 6.298) 10.103 19.966 ( 0.765 -0.239 -4.824) 4.890 20.272 ( 3.167 1.941 -2.816) 4.661 20.636 ( 4.183 -0.844 -2.392) 4.893 21.375 ( -0.967 1.345 1.059) 1.966 21.646 ( -2.880 4.501 -0.739) 5.395 21.982 ( -8.960 -2.435 1.101) 9.350 ======================= Grid point 27 (25/75) ======================= q-point: ( 0.40 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -2.368 -0.116 1.011) 2.578 1.512 ( -4.106 5.532 -0.983) 6.959 2.032 ( -1.855 -1.756 -3.464) 4.303 2.182 ( -4.898 -4.391 -1.501) 6.747 2.345 ( 0.419 0.798 5.168) 5.246 2.505 ( -3.668 0.703 -2.645) 4.576 2.550 ( 8.593 7.897 -0.100) 11.671 2.595 ( 2.005 -0.001 -1.776) 2.678 3.015 ( 12.198 -7.791 -2.598) 14.705 3.238 ( 8.435 5.504 -3.553) 10.681 3.634 ( -5.215 -2.238 -6.757) 8.824 3.915 ( 2.652 3.811 -9.613) 10.675 4.028 ( 2.007 8.356 11.896) 14.675 4.223 ( -11.140 0.257 -1.651) 11.264 4.387 ( 14.185 -0.007 -1.627) 14.278 4.573 ( -8.778 4.114 9.090) 13.289 4.778 ( 5.192 -11.070 0.832) 12.255 5.008 ( 1.133 1.337 -4.960) 5.261 5.081 ( -3.457 11.728 -2.266) 12.435 5.332 ( -12.789 8.526 1.039) 15.405 5.483 ( -4.369 -7.401 3.829) 9.409 5.886 ( 5.914 -13.356 -2.316) 14.789 6.031 ( -1.380 6.624 -2.007) 7.058 6.193 ( 3.495 -1.776 -1.309) 4.133 6.576 ( -9.109 -6.057 12.703) 16.763 6.769 ( -0.184 -1.218 -1.727) 2.121 6.937 ( 5.190 -1.573 1.277) 5.572 7.532 ( 11.093 1.608 2.812) 11.556 7.745 ( -2.282 -4.884 0.641) 5.428 7.899 ( 2.023 10.294 -1.069) 10.545 8.378 ( -1.941 -4.808 -1.396) 5.370 8.610 ( -7.960 1.376 -9.789) 12.692 8.693 ( -5.646 -4.755 1.324) 7.499 8.957 ( 5.557 -1.026 2.550) 6.200 9.134 ( 4.874 -12.308 0.642) 13.253 9.463 ( -8.401 8.242 -0.392) 11.775 9.628 ( -3.386 3.194 -7.301) 8.659 9.722 ( -1.997 3.318 -1.168) 4.045 9.864 ( -1.052 4.148 2.081) 4.758 10.044 ( -10.953 -9.895 -1.468) 14.833 10.315 ( -3.478 2.673 -1.514) 4.640 10.382 ( 8.497 6.648 -0.245) 10.791 11.004 ( 2.782 -3.282 4.617) 6.311 11.115 ( -4.573 2.504 6.531) 8.356 11.236 ( -0.545 -1.545 0.921) 1.879 11.356 ( 7.430 0.995 -9.302) 11.946 11.792 ( 5.532 -1.085 2.199) 6.051 11.976 ( 6.543 -5.275 2.383) 8.736 12.582 ( 4.289 0.036 6.472) 7.765 12.692 ( 7.975 -4.757 1.641) 9.430 12.879 ( -3.587 0.445 0.769) 3.696 13.578 ( -3.821 7.844 -10.187) 13.413 14.878 ( 12.633 2.105 -5.648) 13.997 15.576 ( -2.096 9.703 -0.547) 9.941 15.675 ( -6.508 -13.107 10.451) 17.982 16.264 ( 5.248 -17.152 -13.739) 22.595 17.039 ( -4.304 13.590 8.363) 16.527 17.414 ( 3.503 13.569 -10.762) 17.669 18.148 ( 1.250 -9.904 1.883) 10.158 18.215 ( 1.703 -4.290 4.892) 6.726 20.017 ( -0.834 -2.286 -0.666) 2.523 20.363 ( 1.586 5.145 0.660) 5.424 20.762 ( 3.910 -3.156 0.398) 5.041 21.311 ( -4.045 2.961 1.414) 5.208 21.563 ( -2.991 0.902 1.613) 3.515 21.756 ( -7.769 0.267 1.461) 7.910 ======================= Grid point 29 (26/75) ======================= q-point: ( 0.23 -0.07 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -2.462 -1.916 3.782) 4.903 1.415 ( -5.347 3.784 0.845) 6.604 2.003 ( -10.472 -4.915 2.394) 11.813 2.025 ( -7.159 -4.254 -1.243) 8.420 2.082 ( -13.148 -2.552 6.326) 14.812 2.299 ( -1.456 7.909 0.872) 8.089 2.667 ( 4.425 5.384 2.547) 7.420 2.808 ( -0.147 2.644 -6.975) 7.461 3.199 ( 2.761 -12.332 4.541) 13.429 3.382 ( -3.184 -2.355 -0.781) 4.037 3.552 ( -12.739 -0.136 10.266) 16.361 3.660 ( -8.444 -0.641 13.460) 15.902 3.696 ( -12.521 -0.311 -6.631) 14.172 4.061 ( -13.261 3.713 0.835) 13.797 4.299 ( -6.973 3.467 -9.010) 11.909 4.619 ( 6.133 -0.381 4.570) 7.658 4.756 ( -5.807 -4.693 -0.448) 7.480 4.950 ( 2.776 -5.472 -2.069) 6.476 5.066 ( -9.554 -0.045 8.429) 12.741 5.383 ( 4.909 6.424 2.904) 8.590 5.537 ( 11.719 5.898 -12.127) 17.866 5.918 ( -8.744 -6.785 8.666) 14.057 5.928 ( 3.222 6.931 2.629) 8.083 6.097 ( 3.466 -9.749 -0.162) 10.348 6.358 ( -4.563 -8.174 1.426) 9.469 6.863 ( 14.668 13.933 1.678) 20.300 7.236 ( 6.489 -2.760 -8.274) 10.872 7.675 ( 8.308 7.731 4.014) 12.038 7.794 ( 4.256 -6.573 -2.658) 8.269 8.029 ( -4.014 -2.805 -7.311) 8.799 8.277 ( 0.075 1.405 3.192) 3.489 8.692 ( 8.890 -8.579 -0.279) 12.357 8.730 ( -6.504 3.233 -13.766) 15.565 9.134 ( 10.616 0.472 0.008) 10.626 9.286 ( 6.377 -7.358 -1.756) 9.894 9.300 ( -4.616 5.249 -0.137) 6.991 9.572 ( -5.815 -2.274 9.427) 11.307 9.646 ( -7.118 4.789 -1.066) 8.645 9.791 ( -3.150 1.249 -6.684) 7.494 9.958 ( -1.947 -6.593 -2.381) 7.275 10.224 ( -7.072 8.939 4.986) 12.441 10.493 ( 1.669 1.078 -0.777) 2.133 10.815 ( 2.056 1.474 5.868) 6.390 10.964 ( 1.590 3.827 4.474) 6.098 11.253 ( -1.342 -7.380 -2.840) 8.021 11.604 ( 1.822 5.975 -0.205) 6.250 11.921 ( 8.187 -6.831 -3.956) 11.373 12.152 ( 4.693 0.591 -3.733) 6.026 12.586 ( 9.824 -0.998 6.337) 11.733 12.722 ( -5.041 3.429 1.309) 6.236 12.943 ( 7.251 -8.931 -2.922) 11.869 13.724 ( -3.286 12.095 -10.246) 16.189 14.964 ( -9.792 -4.123 1.921) 10.797 15.336 ( -6.506 -15.000 7.298) 17.905 15.712 ( 8.218 22.937 -7.617) 25.528 16.674 ( 4.826 6.379 -4.306) 9.085 16.865 ( 2.475 -10.493 -5.743) 12.215 17.716 ( 2.733 6.619 -7.970) 10.715 18.009 ( -0.271 -10.432 7.868) 13.070 18.403 ( 9.848 3.034 -5.475) 11.669 19.992 ( -2.981 -2.633 -1.961) 4.434 20.281 ( -2.295 5.349 6.396) 8.648 20.745 ( -1.456 -6.935 2.562) 7.535 21.111 ( -5.700 3.329 7.293) 9.837 21.507 ( 0.998 -1.374 1.124) 2.036 21.615 ( -3.949 1.308 0.668) 4.213 ======================= Grid point 30 (27/75) ======================= q-point: ( 0.07 -0.07 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -7.150 -6.843 -0.000) 9.896 1.258 ( -7.392 1.845 -0.000) 7.619 1.492 ( -26.253 -1.283 -0.000) 26.284 1.646 ( -16.616 -6.584 -0.000) 17.873 1.995 ( -0.365 -10.980 0.000) 10.986 2.305 ( -0.697 4.943 -0.000) 4.992 2.615 ( -28.990 -12.063 -0.000) 31.400 2.825 ( -5.054 -3.397 -0.000) 6.090 2.837 ( -0.183 -5.952 0.000) 5.955 3.144 ( -14.394 -1.031 -0.000) 14.431 3.203 ( -11.383 -1.840 -0.000) 11.531 3.223 ( -15.762 -9.410 -0.000) 18.358 3.547 ( -11.127 -3.944 -0.000) 11.805 3.905 ( -0.623 12.250 -0.000) 12.266 4.216 ( -11.902 -7.743 -0.000) 14.199 4.567 ( -1.057 -11.491 0.000) 11.540 4.624 ( -9.293 3.037 -0.000) 9.777 4.944 ( 10.699 3.459 0.000) 11.245 5.021 ( -0.091 -2.502 0.000) 2.504 5.397 ( 1.423 -1.059 0.000) 1.774 5.694 ( -1.105 -10.449 0.000) 10.507 5.927 ( 5.219 10.023 -0.000) 11.300 6.042 ( 10.382 8.240 0.000) 13.254 6.230 ( 6.995 -7.933 0.000) 10.576 6.293 ( 1.695 -7.143 0.000) 7.341 7.171 ( 13.875 14.699 -0.000) 20.213 7.428 ( 2.704 2.816 -0.000) 3.904 7.785 ( 5.682 9.893 -0.000) 11.409 7.858 ( -4.590 -5.763 0.000) 7.367 8.038 ( 4.542 -11.687 0.000) 12.539 8.354 ( 4.165 7.654 -0.000) 8.714 8.733 ( -4.484 2.632 -0.000) 5.200 9.048 ( 13.559 -6.436 0.000) 15.009 9.074 ( -7.356 6.718 -0.000) 9.962 9.257 ( -3.988 2.847 -0.000) 4.900 9.446 ( 9.089 -2.523 0.000) 9.433 9.499 ( -7.826 -0.374 -0.000) 7.835 9.573 ( 14.093 -4.150 0.000) 14.692 9.708 ( -8.919 -6.333 -0.000) 10.938 10.012 ( 2.990 -2.272 0.000) 3.755 10.024 ( -1.279 4.545 -0.000) 4.721 10.595 ( 0.760 -1.571 0.000) 1.746 10.762 ( 2.439 0.254 0.000) 2.453 10.847 ( -5.682 6.916 -0.000) 8.950 11.468 ( 12.896 -1.490 0.000) 12.982 11.578 ( -2.523 3.441 -0.000) 4.267 12.187 ( -2.237 3.142 -0.000) 3.857 12.205 ( 10.296 -2.686 0.000) 10.641 12.572 ( -5.698 8.045 -0.000) 9.859 12.756 ( 9.038 -0.893 0.000) 9.082 13.098 ( 3.210 -12.049 0.000) 12.469 13.758 ( -8.889 25.132 -0.000) 26.657 14.590 ( -17.647 -6.157 -0.000) 18.690 15.125 ( -6.086 -14.102 0.000) 15.360 15.981 ( 3.368 27.424 -0.000) 27.630 16.668 ( 2.138 21.007 -0.000) 21.115 17.402 ( 20.294 -27.225 0.000) 33.957 17.738 ( -1.174 -5.568 0.000) 5.691 17.888 ( -2.141 3.280 -0.000) 3.917 18.729 ( 9.777 12.279 -0.000) 15.696 19.972 ( -10.141 1.901 -0.000) 10.318 20.072 ( 0.349 -1.860 0.000) 1.892 20.753 ( 5.179 -16.006 0.000) 16.823 20.783 ( -9.880 0.031 -0.000) 9.880 21.540 ( -2.168 0.452 -0.000) 2.215 21.545 ( 3.052 -2.090 0.000) 3.699 ======================= Grid point 31 (28/75) ======================= q-point: (-0.10 -0.07 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -18.257 -4.011 -17.083) 25.322 1.141 ( -5.911 -7.850 -14.456) 17.480 1.232 ( -7.415 -5.626 -8.201) 12.405 1.449 ( -10.327 -11.067 -6.241) 16.373 1.970 ( -18.064 -18.763 -12.535) 28.905 2.019 ( -10.934 -18.022 -9.617) 23.170 2.313 ( -2.967 -7.781 -4.340) 9.391 2.623 ( -11.467 0.379 3.591) 12.022 2.792 ( -0.117 0.367 0.733) 0.827 2.828 ( -9.486 1.904 -2.062) 9.893 3.028 ( -8.018 4.487 -7.993) 12.179 3.282 ( -2.815 -9.399 -9.876) 13.921 3.423 ( -1.907 -8.290 -2.961) 9.007 3.907 ( -2.468 1.286 -3.172) 4.219 3.971 ( -6.260 2.682 -3.080) 7.475 4.472 ( -1.304 2.503 2.705) 3.910 4.663 ( 0.159 -10.625 -6.220) 12.313 5.009 ( -1.778 -7.359 -2.972) 8.133 5.243 ( 9.597 7.885 -5.242) 13.481 5.522 ( 1.343 -1.404 -8.080) 8.310 5.686 ( 5.141 -8.592 4.546) 10.997 6.012 ( 5.832 7.909 3.913) 10.577 6.134 ( 1.917 5.841 3.020) 6.849 6.326 ( 3.681 -6.337 2.851) 7.863 6.402 ( 6.092 -7.417 2.075) 9.820 7.321 ( 2.347 5.604 4.163) 7.365 7.511 ( 7.678 6.885 2.503) 10.612 7.703 ( -3.253 -3.158 6.828) 8.196 7.857 ( 2.518 13.488 -0.052) 13.721 8.114 ( 3.062 -5.070 1.915) 6.225 8.297 ( -9.166 11.371 3.942) 15.128 8.493 ( -1.031 -7.552 7.487) 10.684 9.072 ( 1.766 5.288 -3.602) 6.638 9.198 ( -4.085 0.891 -2.888) 5.081 9.271 ( 3.393 1.921 1.869) 4.324 9.325 ( -4.180 1.913 -1.427) 4.813 9.658 ( 7.327 -8.210 0.582) 11.020 9.695 ( 6.878 -13.069 0.710) 14.785 9.891 ( 12.312 -3.451 -5.472) 13.908 10.024 ( 2.527 0.055 2.634) 3.651 10.051 ( 2.364 1.470 0.138) 2.788 10.562 ( 2.329 -2.752 3.028) 4.708 10.727 ( -5.855 1.787 -1.984) 6.435 10.922 ( 1.499 1.502 -5.038) 5.466 11.366 ( -12.154 1.810 24.337) 27.263 11.549 ( -2.285 2.393 -1.036) 3.467 12.057 ( -0.815 3.353 3.937) 5.235 12.274 ( -9.066 5.879 11.851) 16.037 12.514 ( 0.578 1.368 -5.618) 5.811 12.900 ( -0.277 1.675 2.047) 2.659 12.972 ( -6.174 1.773 3.712) 7.419 13.379 ( -4.770 12.760 -1.808) 13.742 14.284 ( -17.086 -2.812 -2.434) 17.486 15.053 ( -5.850 -9.454 -6.913) 13.092 15.881 ( -1.814 4.791 3.357) 6.125 16.772 ( 1.003 17.366 -3.248) 17.696 17.001 ( 0.216 -27.576 30.107) 40.828 17.773 ( -0.052 12.376 5.649) 13.604 18.275 ( 11.788 -0.644 -8.386) 14.481 18.669 ( 0.130 5.989 10.734) 12.292 19.736 ( -6.822 -4.984 -2.970) 8.955 20.140 ( -2.939 -0.803 -3.428) 4.586 20.546 ( -3.858 -2.724 0.261) 4.730 21.406 ( 11.749 1.459 -8.358) 14.493 21.532 ( 1.780 1.834 -3.620) 4.431 21.728 ( 12.700 -4.619 -13.389) 19.024 ======================= Grid point 32 (29/75) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -0.000 0.000 -26.637) 26.637 0.685 ( -0.000 0.000 -32.080) 32.080 1.161 ( -0.000 0.000 -5.282) 5.282 1.185 ( -0.000 0.000 -50.725) 50.725 1.447 ( -0.000 0.000 -7.865) 7.865 1.925 ( -0.000 0.000 -2.674) 2.674 2.160 ( -0.000 0.000 -3.529) 3.529 2.463 ( -0.000 0.000 -1.993) 1.993 2.760 ( -0.000 0.000 -0.950) 0.950 2.812 ( -0.000 0.000 -6.765) 6.765 3.106 ( -0.000 0.000 -8.621) 8.621 3.256 ( 0.000 -0.000 4.921) 4.921 3.275 ( -0.000 0.000 -3.844) 3.844 3.826 ( -0.000 0.000 -2.093) 2.093 3.958 ( -0.000 0.000 -2.713) 2.713 4.518 ( -0.000 0.000 -0.105) 0.105 4.560 ( -0.000 0.000 -0.518) 0.518 4.907 ( -0.000 0.000 -4.104) 4.104 5.480 ( -0.000 0.000 -13.710) 13.710 5.543 ( 0.000 -0.000 8.406) 8.406 5.962 ( 0.000 -0.000 2.114) 2.114 6.122 ( 0.000 -0.000 5.030) 5.030 6.203 ( -0.000 0.000 -0.517) 0.517 6.213 ( 0.000 -0.000 2.983) 2.983 6.374 ( 0.000 -0.000 4.497) 4.497 7.376 ( 0.000 -0.000 5.671) 5.671 7.566 ( 0.000 -0.000 3.227) 3.227 7.748 ( 0.000 -0.000 9.862) 9.862 8.030 ( 0.000 -0.000 0.121) 0.121 8.090 ( -0.000 0.000 -0.825) 0.825 8.159 ( -0.000 0.000 -1.679) 1.679 8.335 ( -0.000 0.000 -0.148) 0.148 9.115 ( 0.000 -0.000 8.066) 8.066 9.220 ( 0.000 -0.000 1.969) 1.969 9.286 ( -0.000 0.000 -8.104) 8.104 9.332 ( 0.000 -0.000 1.927) 1.927 9.476 ( -0.000 0.000 -7.744) 7.744 9.692 ( -0.000 0.000 -2.012) 2.012 10.049 ( 0.000 -0.000 3.210) 3.210 10.074 ( 0.000 -0.000 1.258) 1.258 10.245 ( 0.000 -0.000 0.339) 0.339 10.551 ( 0.000 -0.000 1.179) 1.179 10.555 ( -0.000 0.000 -5.442) 5.442 10.682 ( 0.000 -0.000 7.952) 7.952 10.973 ( -0.000 0.000 -3.436) 3.436 11.523 ( -0.000 0.000 -3.772) 3.772 12.092 ( 0.000 -0.000 2.215) 2.215 12.123 ( 0.000 -0.000 9.330) 9.330 12.532 ( -0.000 0.000 -5.605) 5.605 12.924 ( 0.000 -0.000 3.468) 3.468 12.953 ( -0.000 0.000 -0.833) 0.833 13.574 ( -0.000 0.000 -0.251) 0.251 13.990 ( -0.000 0.000 -0.993) 0.993 14.900 ( -0.000 0.000 -7.599) 7.599 15.788 ( -0.000 0.000 -1.972) 1.972 16.512 ( 0.000 -0.000 8.323) 8.323 16.969 ( -0.000 0.000 -2.745) 2.745 17.900 ( 0.000 -0.000 3.172) 3.172 18.523 ( 0.000 -0.000 7.198) 7.198 18.632 ( 0.000 -0.000 5.685) 5.685 19.595 ( -0.000 0.000 -7.923) 7.923 20.075 ( -0.000 0.000 -3.055) 3.055 20.491 ( -0.000 0.000 -1.437) 1.437 21.479 ( 0.000 -0.000 1.631) 1.631 21.639 ( -0.000 0.000 -2.616) 2.616 22.209 ( 0.000 -0.000 2.544) 2.544 ======================= Grid point 33 (30/75) ======================= q-point: (-0.25 -0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -1.213 0.000 -4.316) 4.483 1.462 ( 12.309 0.000 -21.868) 25.094 1.463 ( 11.807 0.000 -15.702) 19.646 1.492 ( 11.213 0.000 -8.851) 14.285 1.964 ( -3.740 0.000 -5.038) 6.274 2.313 ( 0.905 0.000 -5.765) 5.836 2.376 ( 16.889 0.000 -27.491) 32.264 2.598 ( 9.132 -0.000 -0.135) 9.133 2.869 ( 7.580 0.000 -2.589) 8.010 2.961 ( -2.525 -0.000 3.159) 4.044 3.174 ( 4.526 0.000 -10.255) 11.210 3.298 ( 0.195 0.000 -6.394) 6.397 3.562 ( 7.744 0.000 -17.571) 19.202 3.995 ( 8.344 -0.000 -2.518) 8.716 4.123 ( 5.642 0.000 -7.040) 9.022 4.540 ( 0.245 0.000 -4.352) 4.359 4.591 ( 0.742 0.000 -4.445) 4.506 5.012 ( -1.180 0.000 -5.551) 5.675 5.233 ( -3.352 -0.000 17.554) 17.871 5.561 ( -17.544 0.000 -4.677) 18.157 5.853 ( 0.493 0.000 -14.126) 14.135 6.072 ( -2.227 -0.000 0.874) 2.393 6.073 ( -2.303 -0.000 8.016) 8.340 6.173 ( -3.636 -0.000 6.885) 7.786 6.256 ( 2.381 -0.000 0.068) 2.382 7.198 ( -2.363 -0.000 9.682) 9.966 7.452 ( -4.359 -0.000 11.189) 12.008 7.514 ( 4.455 -0.000 5.289) 6.915 7.950 ( -4.310 -0.000 5.436) 6.938 8.086 ( -2.365 0.000 -1.684) 2.903 8.313 ( -0.597 -0.000 1.831) 1.926 8.380 ( 5.739 0.000 -1.991) 6.074 8.908 ( 0.174 -0.000 10.438) 10.440 9.147 ( -0.268 -0.000 3.727) 3.737 9.189 ( -6.726 -0.000 4.211) 7.935 9.496 ( 0.552 0.000 -3.670) 3.711 9.678 ( 4.785 0.000 -10.387) 11.436 9.684 ( -5.748 0.000 -3.171) 6.565 9.921 ( -4.342 -0.000 4.063) 5.947 9.944 ( -12.188 0.000 -3.454) 12.668 10.189 ( 3.936 0.000 -7.449) 8.425 10.452 ( -4.951 -0.000 4.154) 6.463 10.808 ( 8.271 0.000 -5.413) 9.885 10.926 ( 17.063 -0.000 13.340) 21.659 10.997 ( -0.488 0.000 -1.204) 1.300 11.670 ( 3.228 0.000 -5.364) 6.261 11.937 ( -3.609 -0.000 9.829) 10.470 12.073 ( 10.746 -0.000 11.605) 15.817 12.618 ( 0.099 0.000 -3.244) 3.246 12.825 ( 0.713 -0.000 6.710) 6.747 12.948 ( -1.846 0.000 -0.754) 1.993 13.475 ( -4.875 0.000 -0.364) 4.889 14.336 ( 19.655 -0.000 -3.004) 19.883 15.159 ( 3.221 0.000 -13.248) 13.634 15.852 ( 1.075 -0.000 3.150) 3.329 16.268 ( -2.189 -0.000 12.508) 12.698 17.047 ( 0.643 0.000 -4.497) 4.543 17.789 ( -1.178 -0.000 6.436) 6.543 18.280 ( -5.264 -0.000 6.054) 8.023 18.454 ( -2.027 -0.000 8.995) 9.220 19.814 ( 1.877 0.000 -7.672) 7.898 20.210 ( 4.736 0.000 -4.010) 6.206 20.568 ( 3.171 0.000 -2.701) 4.165 21.430 ( -0.308 -0.000 2.044) 2.067 21.664 ( -3.462 0.000 -2.667) 4.370 21.929 ( -15.405 0.000 -5.081) 16.222 ======================= Grid point 34 (31/75) ======================= q-point: (-0.42 -0.08 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -2.441 0.000 -1.728) 2.991 1.534 ( -2.500 0.000 -2.715) 3.690 1.884 ( -1.006 0.000 -4.333) 4.448 2.035 ( -2.112 0.000 -6.872) 7.190 2.236 ( 15.256 0.000 -11.478) 19.092 2.433 ( 0.325 0.000 -6.984) 6.992 2.688 ( -0.774 -0.000 10.550) 10.578 2.787 ( 5.506 -0.000 3.306) 6.422 2.831 ( 11.153 -0.000 -0.377) 11.159 3.303 ( 15.242 -0.000 -2.852) 15.507 3.324 ( -8.481 0.000 -4.958) 9.824 3.619 ( -2.460 0.000 -19.840) 19.992 4.158 ( 2.318 -0.000 -0.690) 2.419 4.182 ( 10.640 0.000 -19.422) 22.145 4.371 ( 8.378 0.000 -2.923) 8.873 4.637 ( -7.873 -0.000 23.315) 24.608 4.838 ( 7.028 0.000 -8.820) 11.277 4.851 ( 6.556 0.000 -9.147) 11.254 5.126 ( -0.364 0.000 -4.243) 4.259 5.434 ( -5.888 0.000 -4.657) 7.507 5.627 ( -5.681 -0.000 14.019) 15.126 5.692 ( -8.160 -0.000 6.356) 10.343 6.036 ( -7.950 0.000 -0.692) 7.980 6.237 ( 1.752 -0.000 2.442) 3.005 6.450 ( 5.794 0.000 -13.106) 14.330 6.860 ( -5.629 -0.000 12.366) 13.587 7.141 ( -1.488 -0.000 9.941) 10.052 7.589 ( 10.673 -0.000 2.909) 11.062 7.735 ( -5.452 -0.000 3.172) 6.308 8.059 ( -3.774 0.000 -1.791) 4.178 8.299 ( 2.569 -0.000 0.789) 2.687 8.466 ( -4.148 0.000 -5.740) 7.082 8.696 ( -4.878 -0.000 6.266) 7.941 8.975 ( -1.965 -0.000 2.295) 3.022 9.083 ( 4.230 -0.000 5.157) 6.670 9.500 ( -3.887 0.000 -3.548) 5.262 9.576 ( -6.875 0.000 -0.386) 6.885 9.775 ( -11.431 0.000 -4.824) 12.408 9.794 ( -1.450 -0.000 0.641) 1.586 9.971 ( 3.958 0.000 -3.773) 5.469 10.297 ( -3.736 0.000 0.474) 3.766 10.437 ( 7.686 -0.000 -0.174) 7.688 11.015 ( 1.438 -0.000 1.042) 1.776 11.095 ( 5.496 0.000 -4.994) 7.426 11.098 ( 8.712 0.000 -8.714) 12.322 11.519 ( -8.876 -0.000 15.359) 17.739 11.810 ( 0.744 0.000 -2.170) 2.294 12.054 ( 7.559 -0.000 8.125) 11.097 12.684 ( 4.592 -0.000 1.922) 4.978 12.716 ( 2.404 -0.000 4.975) 5.525 12.896 ( -3.108 0.000 0.659) 3.177 13.464 ( -3.146 0.000 -6.553) 7.269 14.807 ( 15.605 -0.000 -3.058) 15.902 15.521 ( 2.374 0.000 -10.902) 11.157 15.752 ( -4.497 0.000 0.431) 4.518 15.947 ( -2.205 -0.000 9.373) 9.628 17.165 ( 0.147 0.000 -3.756) 3.758 17.627 ( -0.459 -0.000 4.459) 4.482 18.068 ( -2.289 -0.000 4.607) 5.145 18.280 ( -0.062 -0.000 4.940) 4.940 19.944 ( -0.495 0.000 -3.287) 3.324 20.384 ( 3.178 0.000 -2.750) 4.203 20.707 ( 3.837 0.000 -1.688) 4.192 21.394 ( 0.774 -0.000 2.316) 2.442 21.595 ( -4.862 0.000 -0.081) 4.862 21.754 ( -8.326 0.000 -1.932) 8.548 ======================= Grid point 35 (32/75) ======================= q-point: ( 0.42 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -1.563 -0.000 1.420) 2.112 1.484 ( -3.108 -0.000 1.709) 3.547 1.878 ( -2.327 0.000 -1.167) 2.603 2.024 ( -7.265 0.000 -1.333) 7.386 2.238 ( -9.314 -0.000 11.876) 15.093 2.386 ( -6.349 -0.000 3.855) 7.428 2.734 ( 6.068 0.000 -2.053) 6.406 2.861 ( 4.234 0.000 -1.418) 4.465 3.083 ( 3.114 -0.000 0.432) 3.144 3.256 ( -9.182 0.000 -12.263) 15.320 3.445 ( -3.966 -0.000 4.282) 5.837 3.712 ( -15.739 0.000 -10.507) 18.924 3.953 ( -8.273 -0.000 20.980) 22.552 4.186 ( -4.484 -0.000 4.472) 6.333 4.372 ( -6.879 -0.000 7.264) 10.004 4.746 ( 3.608 -0.000 7.007) 7.882 4.759 ( 10.618 0.000 -8.444) 13.567 4.845 ( -10.287 -0.000 8.648) 13.439 5.212 ( -2.511 0.000 -9.309) 9.642 5.270 ( -6.148 -0.000 7.931) 10.035 5.632 ( 6.899 0.000 -3.398) 7.690 5.775 ( 14.117 -0.000 -1.563) 14.203 5.963 ( -6.748 0.000 -13.759) 15.324 6.140 ( -0.475 -0.000 11.575) 11.584 6.346 ( -4.617 -0.000 8.723) 9.870 6.975 ( 7.776 0.000 -11.407) 13.805 7.085 ( 10.065 -0.000 3.683) 10.718 7.677 ( 3.382 0.000 -1.338) 3.637 7.782 ( 6.534 -0.000 -0.015) 6.534 7.959 ( -7.681 0.000 -0.700) 7.713 8.366 ( 3.899 -0.000 0.615) 3.947 8.489 ( -7.735 0.000 -10.136) 12.750 8.596 ( 7.759 -0.000 1.376) 7.880 9.037 ( 2.959 0.000 -4.915) 5.737 9.172 ( 9.255 -0.000 -0.019) 9.255 9.459 ( -1.050 -0.000 2.512) 2.723 9.471 ( -9.225 0.000 -4.996) 10.491 9.667 ( -3.827 0.000 -2.360) 4.496 9.813 ( 0.903 0.000 -2.676) 2.824 9.922 ( -2.879 -0.000 8.423) 8.902 10.312 ( 0.394 0.000 -5.280) 5.295 10.530 ( -3.656 -0.000 2.922) 4.680 10.984 ( 0.972 -0.000 4.607) 4.708 11.043 ( 0.218 -0.000 6.669) 6.672 11.159 ( -5.401 0.000 0.142) 5.403 11.613 ( 10.422 0.000 -13.048) 16.699 11.767 ( -1.376 -0.000 3.942) 4.175 12.125 ( 7.089 -0.000 -0.002) 7.089 12.722 ( 6.279 -0.000 6.443) 8.996 12.777 ( 4.403 0.000 -2.622) 5.125 12.799 ( -3.511 0.000 0.706) 3.581 13.583 ( -4.574 0.000 -12.530) 13.338 14.978 ( -3.713 -0.000 2.311) 4.373 15.384 ( -6.352 -0.000 11.100) 12.789 15.794 ( 2.227 0.000 -10.626) 10.857 16.106 ( 4.793 0.000 -13.080) 13.930 17.110 ( -2.412 -0.000 4.907) 5.468 17.697 ( 3.102 0.000 -6.315) 7.035 18.011 ( 4.063 -0.000 4.625) 6.156 18.294 ( 4.998 0.000 -3.267) 5.971 19.939 ( -2.968 0.000 -0.196) 2.975 20.415 ( -2.382 -0.000 0.910) 2.550 20.728 ( -1.790 -0.000 2.517) 3.089 21.328 ( 1.834 -0.000 7.528) 7.748 21.520 ( 0.180 -0.000 1.157) 1.171 21.643 ( -3.443 0.000 0.657) 3.505 ======================= Grid point 36 (33/75) ======================= q-point: ( 0.25 -0.08 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -1.780 -0.000 9.915) 10.073 1.317 ( -6.066 -0.000 4.336) 7.456 1.585 ( -24.988 0.000 7.829) 26.186 1.684 ( -18.431 -0.000 9.528) 20.748 1.871 ( 0.402 0.000 -0.178) 0.440 2.309 ( -3.257 0.000 -3.848) 5.041 2.591 ( -37.088 0.000 10.981) 38.680 2.789 ( -0.725 -0.000 5.580) 5.627 2.908 ( -8.206 -0.000 2.926) 8.712 3.052 ( -6.864 0.000 -2.590) 7.336 3.172 ( -10.453 -0.000 6.266) 12.187 3.367 ( -14.534 -0.000 6.559) 15.945 3.523 ( -9.979 -0.000 3.551) 10.592 3.978 ( -2.091 0.000 -1.827) 2.777 4.231 ( -8.869 -0.000 2.962) 9.350 4.475 ( 0.517 -0.000 6.751) 6.770 4.644 ( -10.384 0.000 -0.742) 10.411 4.962 ( -0.126 0.000 -1.422) 1.427 5.068 ( 11.012 -0.000 8.121) 13.683 5.432 ( 2.639 0.000 -7.181) 7.651 5.605 ( -4.249 -0.000 11.461) 12.223 6.027 ( 5.662 0.000 -3.628) 6.725 6.083 ( 6.595 0.000 -2.407) 7.020 6.134 ( 7.147 0.000 -3.168) 7.818 6.233 ( 1.695 -0.000 4.161) 4.493 7.326 ( 3.988 0.000 -8.190) 9.110 7.354 ( 14.449 -0.000 -0.972) 14.482 7.736 ( -9.004 0.000 -2.729) 9.408 7.900 ( 9.263 0.000 -4.019) 10.097 7.934 ( 6.714 -0.000 3.588) 7.613 8.406 ( -1.655 0.000 -2.234) 2.780 8.606 ( -2.727 0.000 -12.172) 12.474 8.890 ( 14.285 -0.000 -1.724) 14.388 9.222 ( 0.455 0.000 -6.970) 6.985 9.256 ( -7.953 0.000 1.105) 8.029 9.459 ( 7.402 -0.000 3.425) 8.157 9.476 ( 7.866 -0.000 3.605) 8.653 9.582 ( -5.641 -0.000 2.731) 6.267 9.667 ( -2.867 -0.000 2.635) 3.894 9.939 ( 3.393 0.000 -4.189) 5.391 10.167 ( -6.310 -0.000 8.155) 10.312 10.480 ( 1.722 0.000 -6.431) 6.658 10.868 ( -0.966 -0.000 6.911) 6.978 10.945 ( -6.908 0.000 2.032) 7.200 11.321 ( 11.634 0.000 -11.096) 16.077 11.648 ( -2.803 -0.000 3.066) 4.155 12.029 ( 5.645 0.000 -9.060) 10.675 12.282 ( 5.495 -0.000 0.575) 5.525 12.651 ( -4.390 0.000 -0.392) 4.408 12.798 ( 6.939 -0.000 3.789) 7.906 12.924 ( 1.867 0.000 -3.284) 3.778 13.785 ( -6.082 0.000 -18.164) 19.156 14.640 ( -15.110 -0.000 6.622) 16.497 15.041 ( -5.870 -0.000 7.503) 9.526 16.278 ( 1.782 0.000 -31.160) 31.211 16.446 ( 2.912 0.000 -10.003) 10.418 16.966 ( -0.267 -0.000 4.906) 4.913 17.881 ( 1.239 0.000 -4.957) 5.110 17.968 ( 10.254 -0.000 15.796) 18.833 18.641 ( 7.665 0.000 -15.121) 16.953 19.848 ( -6.952 0.000 -2.113) 7.266 20.259 ( -5.394 -0.000 5.040) 7.382 20.588 ( -3.780 -0.000 2.805) 4.707 21.125 ( 6.386 -0.000 22.742) 23.622 21.540 ( 3.200 -0.000 1.428) 3.504 21.558 ( -2.010 -0.000 1.720) 2.646 ======================= Grid point 37 (34/75) ======================= q-point: ( 0.08 -0.08 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -23.741 0.000 -0.000) 23.741 0.796 ( -35.371 0.000 -0.000) 35.371 1.138 ( -7.634 0.000 -0.000) 7.634 1.253 ( -9.534 0.000 -0.000) 9.534 1.319 ( -54.958 0.000 -0.000) 54.958 1.888 ( 0.853 -0.000 0.000) 0.853 2.208 ( -6.985 0.000 -0.000) 6.985 2.650 ( -18.237 0.000 -0.000) 18.237 2.717 ( -1.218 0.000 -0.000) 1.218 2.917 ( -13.305 0.000 -0.000) 13.305 2.944 ( 5.701 -0.000 0.000) 5.701 2.996 ( -5.080 0.000 -0.000) 5.080 3.305 ( -6.008 0.000 -0.000) 6.008 3.930 ( -8.675 0.000 -0.000) 8.675 3.966 ( -3.860 0.000 -0.000) 3.860 4.510 ( 4.143 -0.000 0.000) 4.143 4.528 ( -1.869 0.000 -0.000) 1.869 4.914 ( -4.119 0.000 -0.000) 4.119 5.188 ( 7.448 -0.000 0.000) 7.448 5.342 ( -1.485 0.000 -0.000) 1.485 5.606 ( 2.004 -0.000 0.000) 2.004 6.175 ( 1.908 -0.000 0.000) 1.908 6.224 ( 2.156 -0.000 0.000) 2.156 6.225 ( 4.685 -0.000 0.000) 4.685 6.323 ( 5.303 -0.000 0.000) 5.303 7.443 ( -0.206 0.000 -0.000) 0.206 7.635 ( -3.379 0.000 -0.000) 3.379 7.670 ( 12.183 -0.000 0.000) 12.183 8.029 ( 4.679 -0.000 0.000) 4.679 8.120 ( 5.027 -0.000 0.000) 5.027 8.370 ( -3.640 0.000 -0.000) 3.640 8.876 ( 5.549 -0.000 0.000) 5.549 8.960 ( -7.183 0.000 -0.000) 7.183 9.155 ( 6.369 -0.000 0.000) 6.369 9.305 ( 1.943 -0.000 0.000) 1.943 9.308 ( -5.375 0.000 -0.000) 5.375 9.386 ( -10.117 0.000 -0.000) 10.117 9.599 ( 6.572 -0.000 0.000) 6.572 9.824 ( 9.750 -0.000 0.000) 9.750 10.062 ( 2.522 -0.000 0.000) 2.522 10.070 ( 0.856 -0.000 0.000) 0.856 10.520 ( -2.540 0.000 -0.000) 2.540 10.822 ( -1.743 0.000 -0.000) 1.743 10.846 ( 3.730 -0.000 0.000) 3.730 11.533 ( -3.907 0.000 -0.000) 3.907 11.766 ( 10.766 -0.000 0.000) 10.766 12.155 ( -3.297 0.000 -0.000) 3.297 12.371 ( 6.379 -0.000 0.000) 6.379 12.647 ( 1.148 -0.000 0.000) 1.148 12.895 ( 4.424 -0.000 0.000) 4.424 12.970 ( -0.510 0.000 -0.000) 0.510 14.057 ( 0.076 -0.000 0.000) 0.076 14.158 ( -14.545 0.000 -0.000) 14.545 14.857 ( -3.421 0.000 -0.000) 3.421 16.598 ( 0.894 -0.000 0.000) 0.894 16.923 ( 1.027 -0.000 0.000) 1.027 17.239 ( 14.024 -0.000 0.000) 14.024 17.639 ( 0.185 -0.000 0.000) 0.185 17.937 ( -0.250 0.000 -0.000) 0.250 19.164 ( 13.512 -0.000 0.000) 13.512 19.758 ( -12.784 0.000 -0.000) 12.784 20.044 ( -0.371 0.000 -0.000) 0.371 20.497 ( -1.938 0.000 -0.000) 1.938 20.595 ( -6.167 0.000 -0.000) 6.167 21.506 ( -1.033 0.000 -0.000) 1.033 21.583 ( 2.282 -0.000 0.000) 2.282 ======================= Grid point 38 (35/75) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -0.000 29.698 -0.000) 29.698 0.690 ( -0.000 35.776 -0.000) 35.776 1.053 ( -0.000 54.616 -0.000) 54.616 1.120 ( -0.000 2.285 -0.000) 2.285 1.292 ( -0.000 13.973 -0.000) 13.973 2.037 ( -0.000 8.833 -0.000) 8.833 2.219 ( -0.000 9.036 -0.000) 9.036 2.496 ( -0.000 5.797 -0.000) 5.797 2.673 ( 0.000 -7.328 0.000) 7.328 2.739 ( -0.000 3.199 -0.000) 3.199 2.961 ( -0.000 2.533 -0.000) 2.533 3.083 ( -0.000 5.728 -0.000) 5.728 3.383 ( -0.000 7.892 -0.000) 7.892 3.810 ( -0.000 0.725 -0.000) 0.725 3.857 ( 0.000 -5.346 0.000) 5.346 4.516 ( 0.000 -0.036 0.000) 0.036 4.595 ( -0.000 3.942 -0.000) 3.942 4.943 ( -0.000 7.933 -0.000) 7.933 5.241 ( 0.000 -2.785 0.000) 2.785 5.428 ( -0.000 8.473 -0.000) 8.473 5.841 ( 0.000 -0.591 0.000) 0.591 6.132 ( 0.000 -4.691 0.000) 4.691 6.193 ( 0.000 -5.402 0.000) 5.402 6.415 ( -0.000 4.302 -0.000) 4.302 6.837 ( 0.000 -4.382 0.000) 4.382 7.379 ( 0.000 -6.052 0.000) 6.052 7.626 ( 0.000 -0.048 0.000) 0.048 7.781 ( 0.000 -4.301 0.000) 4.301 7.910 ( 0.000 -19.876 0.000) 19.876 7.995 ( 0.000 -2.070 0.000) 2.070 8.156 ( -0.000 2.618 -0.000) 2.618 8.616 ( -0.000 16.088 -0.000) 16.088 8.854 ( 0.000 -2.635 0.000) 2.635 9.171 ( 0.000 -2.153 0.000) 2.153 9.181 ( 0.000 -6.187 0.000) 6.187 9.381 ( -0.000 2.717 -0.000) 2.717 9.701 ( -0.000 2.644 -0.000) 2.644 9.876 ( 0.000 -5.008 0.000) 5.008 10.093 ( -0.000 0.293 -0.000) 0.293 10.114 ( -0.000 2.910 -0.000) 2.910 10.535 ( -0.000 4.238 -0.000) 4.238 10.560 ( 0.000 -0.431 0.000) 0.431 10.757 ( 0.000 -5.332 0.000) 5.332 10.863 ( 0.000 -3.244 0.000) 3.244 11.265 ( -0.000 3.255 -0.000) 3.255 11.845 ( 0.000 -3.990 0.000) 3.990 11.998 ( 0.000 -1.355 0.000) 1.355 12.061 ( 0.000 -5.587 0.000) 5.587 12.457 ( -0.000 1.145 -0.000) 1.145 12.486 ( 0.000 -14.323 0.000) 14.323 12.943 ( -0.000 0.053 -0.000) 0.053 13.142 ( -0.000 13.453 -0.000) 13.453 14.079 ( -0.000 10.011 -0.000) 10.011 14.883 ( -0.000 6.343 -0.000) 6.343 15.824 ( -0.000 6.505 -0.000) 6.505 16.737 ( 0.000 -18.631 0.000) 18.631 17.716 ( -0.000 5.915 -0.000) 5.915 17.822 ( 0.000 -11.496 0.000) 11.496 18.420 ( 0.000 -12.736 0.000) 12.736 18.656 ( 0.000 -4.097 0.000) 4.097 19.591 ( -0.000 7.756 -0.000) 7.756 20.078 ( -0.000 3.772 -0.000) 3.772 20.552 ( -0.000 2.675 -0.000) 2.675 21.505 ( -0.000 0.893 -0.000) 0.893 21.551 ( -0.000 0.925 -0.000) 0.925 21.636 ( -0.000 2.620 -0.000) 2.620 ======================= Grid point 40 (36/75) ======================= q-point: (-0.23 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -1.043 1.370 -2.571) 3.094 1.410 ( 1.119 -3.148 -5.035) 6.043 1.825 ( 14.636 4.610 -11.353) 19.089 1.978 ( 3.173 7.832 -3.675) 9.215 2.019 ( 9.825 5.574 -11.860) 16.378 2.329 ( -0.659 4.215 -1.964) 4.696 2.687 ( 3.449 -8.751 1.191) 9.481 2.807 ( -2.197 -3.170 -1.019) 3.989 2.956 ( 18.274 6.497 2.639) 19.573 3.163 ( 13.364 2.167 -3.994) 14.116 3.355 ( 13.221 3.148 -2.988) 13.915 3.521 ( 4.858 17.638 -2.897) 18.523 3.773 ( 11.886 -1.612 -15.093) 19.279 4.096 ( 1.688 -1.695 -13.213) 13.427 4.103 ( 0.443 -7.863 -4.642) 9.142 4.586 ( 10.144 -5.549 -0.515) 11.574 4.797 ( -1.030 8.142 -5.997) 10.164 5.039 ( -5.332 6.118 -0.184) 8.117 5.090 ( -4.268 -4.023 5.775) 8.231 5.407 ( -2.240 10.220 -0.799) 10.493 5.642 ( -9.937 -10.520 2.122) 14.626 5.845 ( -0.804 -7.128 4.403) 8.417 6.044 ( 1.065 -3.026 0.709) 3.285 6.248 ( -4.391 9.453 -4.243) 11.254 6.360 ( 1.555 7.642 -3.349) 8.488 7.095 ( -6.566 -2.465 8.336) 10.894 7.236 ( -8.862 -5.546 4.706) 11.465 7.672 ( 6.541 0.882 5.696) 8.718 7.787 ( -1.988 -11.626 1.917) 11.950 7.961 ( -6.069 5.798 2.021) 8.634 8.331 ( -0.478 -6.438 -0.387) 6.467 8.387 ( 1.322 2.358 4.659) 5.387 8.890 ( -10.323 2.864 4.607) 11.662 9.107 ( 2.715 -1.653 4.171) 5.244 9.270 ( 0.751 10.900 3.955) 11.620 9.410 ( -3.842 -5.056 -0.441) 6.365 9.501 ( -6.534 1.944 1.480) 6.976 9.705 ( 3.812 -6.608 -3.616) 8.442 9.821 ( -7.091 7.780 -7.724) 13.057 9.913 ( -2.109 3.667 2.200) 4.768 10.191 ( 4.230 -10.001 -4.839) 11.888 10.456 ( 2.470 3.183 1.264) 4.222 10.955 ( 0.528 -2.423 -3.067) 3.944 11.008 ( 5.237 1.338 -4.303) 6.909 11.142 ( 2.567 4.016 5.783) 7.494 11.622 ( -1.227 -7.405 1.239) 7.608 11.891 ( -2.450 4.189 6.439) 8.063 12.181 ( 0.038 -3.047 5.763) 6.520 12.650 ( 4.128 -1.940 -3.301) 5.630 12.843 ( -1.781 0.545 1.404) 2.333 12.933 ( -1.758 5.455 3.031) 6.483 13.362 ( 2.929 -10.056 5.978) 12.060 14.748 ( 17.940 0.438 -2.838) 18.168 15.373 ( 6.028 8.682 -9.613) 14.287 15.743 ( -7.107 -1.788 1.407) 7.462 16.445 ( -2.312 17.404 18.778) 25.707 16.928 ( 1.087 -13.305 -7.307) 15.218 17.565 ( -2.808 -16.087 10.846) 19.604 18.204 ( -3.980 4.101 -1.569) 5.926 18.418 ( -4.672 1.916 5.781) 7.676 19.920 ( 3.513 4.916 -3.056) 6.771 20.297 ( 4.180 -2.939 -2.750) 5.803 20.694 ( 5.956 3.879 -2.802) 7.640 21.356 ( -4.368 -4.230 -3.248) 6.894 21.555 ( -1.358 -1.299 -1.501) 2.405 21.686 ( -8.710 2.209 -5.642) 10.610 ======================= Grid point 41 (37/75) ======================= q-point: (-0.40 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.000 0.945 0.000) 0.945 1.465 ( -0.000 -3.780 0.000) 3.780 1.958 ( -0.000 9.375 0.000) 9.375 2.109 ( -0.000 8.816 -0.000) 8.816 2.413 ( -0.000 -0.864 0.000) 0.864 2.436 ( 0.000 -1.472 -0.000) 1.472 2.638 ( -0.000 -4.196 -0.000) 4.196 2.702 ( -0.000 -9.559 0.000) 9.559 3.145 ( -0.000 7.256 0.000) 7.256 3.196 ( -0.000 4.712 0.000) 4.712 3.564 ( -0.000 2.236 0.000) 2.236 3.674 ( -0.000 15.199 0.000) 15.199 4.070 ( -0.000 -11.475 0.000) 11.475 4.333 ( -0.000 -5.111 0.000) 5.111 4.467 ( 0.000 -2.107 -0.000) 2.107 4.534 ( -0.000 6.689 0.000) 6.689 4.903 ( 0.000 -0.482 -0.000) 0.482 4.936 ( -0.000 1.689 0.000) 1.689 5.061 ( -0.000 -7.093 0.000) 7.093 5.148 ( -0.000 -19.161 0.000) 19.161 5.579 ( -0.000 3.812 0.000) 3.812 5.795 ( -0.000 4.333 0.000) 4.333 5.987 ( -0.000 13.708 0.000) 13.708 6.250 ( -0.000 0.650 0.000) 0.650 6.630 ( -0.000 10.346 0.000) 10.346 6.750 ( -0.000 -3.253 -0.000) 3.253 7.074 ( -0.000 -5.580 0.000) 5.580 7.700 ( -0.000 -0.059 0.000) 0.059 7.790 ( -0.000 -12.328 -0.000) 12.328 7.797 ( 0.000 2.266 0.000) 2.266 8.328 ( -0.000 -2.499 0.000) 2.499 8.355 ( -0.000 -1.473 0.000) 1.473 8.698 ( -0.000 6.336 0.000) 6.336 9.101 ( -0.000 8.469 0.000) 8.469 9.247 ( -0.000 -12.279 -0.000) 12.279 9.278 ( 0.000 12.801 0.000) 12.801 9.454 ( -0.000 -1.614 0.000) 1.614 9.764 ( -0.000 -1.485 -0.000) 1.485 9.834 ( -0.000 10.219 0.000) 10.219 9.891 ( -0.000 -8.662 0.000) 8.662 10.255 ( -0.000 -1.794 -0.000) 1.794 10.507 ( -0.000 -3.198 0.000) 3.198 11.054 ( -0.000 1.912 0.000) 1.912 11.149 ( -0.000 -1.035 0.000) 1.035 11.228 ( -0.000 1.037 -0.000) 1.037 11.366 ( -0.000 -1.381 0.000) 1.381 11.854 ( -0.000 3.701 0.000) 3.701 12.099 ( -0.000 -2.897 0.000) 2.897 12.791 ( -0.000 4.505 -0.000) 4.505 12.807 ( 0.000 0.196 0.000) 0.196 12.808 ( -0.000 0.561 0.000) 0.561 13.330 ( -0.000 -9.513 0.000) 9.513 15.033 ( -0.000 3.056 0.000) 3.056 15.493 ( -0.000 -12.687 0.000) 12.687 15.728 ( -0.000 17.615 0.000) 17.615 16.144 ( -0.000 16.100 0.000) 16.100 17.092 ( -0.000 -7.653 0.000) 7.653 17.331 ( -0.000 -23.812 0.000) 23.812 18.182 ( -0.000 8.776 0.000) 8.776 18.292 ( -0.000 1.221 -0.000) 1.221 19.992 ( -0.000 5.369 0.000) 5.369 20.380 ( -0.000 -4.092 0.000) 4.092 20.816 ( -0.000 6.175 0.000) 6.175 21.343 ( -0.000 -6.860 0.000) 6.860 21.546 ( -0.000 1.258 0.000) 1.258 21.640 ( -0.000 -1.054 0.000) 1.054 ======================= Grid point 45 (38/75) ======================= q-point: ( 0.28 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -0.000 17.149 8.131) 18.979 1.213 ( -0.000 2.830 4.304) 5.151 1.417 ( -0.000 28.460 6.751) 29.250 1.620 ( -0.000 20.444 -0.757) 20.458 2.172 ( -0.000 11.296 0.464) 11.306 2.343 ( -0.000 31.725 17.316) 36.143 2.359 ( 0.000 -0.845 -3.490) 3.591 2.522 ( -0.000 3.015 1.614) 3.420 2.713 ( -0.000 5.362 4.901) 7.264 2.759 ( 0.000 -1.977 -8.612) 8.836 2.942 ( -0.000 3.909 13.156) 13.724 3.374 ( -0.000 8.081 -8.559) 11.771 3.623 ( -0.000 11.476 10.166) 15.331 3.768 ( 0.000 -2.629 -3.434) 4.324 4.061 ( -0.000 10.017 21.552) 23.766 4.447 ( -0.000 0.329 -5.552) 5.562 4.827 ( -0.000 8.938 9.255) 12.866 5.174 ( -0.000 11.725 3.642) 12.278 5.196 ( 0.000 -8.372 2.886) 8.855 5.598 ( -0.000 3.188 1.384) 3.476 5.762 ( 0.000 -2.353 -5.018) 5.542 5.952 ( 0.000 -8.581 -4.803) 9.833 6.026 ( 0.000 -8.575 -2.854) 9.037 6.480 ( -0.000 -1.614 -14.840) 14.927 6.593 ( -0.000 8.187 -1.246) 8.281 7.228 ( 0.000 -8.384 -0.748) 8.418 7.441 ( 0.000 -17.291 -6.596) 18.507 7.502 ( 0.000 -10.358 0.274) 10.362 7.680 ( 0.000 -8.386 0.611) 8.408 7.989 ( 0.000 -4.886 5.086) 7.053 8.364 ( -0.000 21.179 -2.534) 21.330 8.636 ( -0.000 2.440 -5.896) 6.381 9.031 ( 0.000 -8.469 0.505) 8.484 9.077 ( 0.000 -0.206 10.850) 10.852 9.119 ( 0.000 -4.301 -1.072) 4.432 9.366 ( -0.000 1.320 -4.613) 4.798 9.760 ( 0.000 -4.415 -1.058) 4.540 9.803 ( -0.000 1.716 4.127) 4.469 10.056 ( -0.000 -0.236 -2.917) 2.927 10.172 ( -0.000 3.909 -2.186) 4.478 10.496 ( 0.000 -3.057 -2.868) 4.192 10.611 ( 0.000 -2.030 -1.506) 2.528 10.729 ( -0.000 7.185 8.158) 10.871 10.870 ( 0.000 -4.219 6.130) 7.441 10.990 ( -0.000 17.049 -31.304) 35.645 11.492 ( 0.000 -1.356 -2.331) 2.697 11.901 ( 0.000 -10.855 0.288) 10.859 11.975 ( 0.000 -6.068 -5.973) 8.514 12.474 ( 0.000 -10.617 8.799) 13.790 12.580 ( 0.000 -5.155 10.234) 11.459 12.955 ( 0.000 -0.337 1.282) 1.326 13.436 ( -0.000 8.391 3.464) 9.077 14.250 ( -0.000 13.340 -7.283) 15.198 15.153 ( -0.000 9.399 10.413) 14.028 16.039 ( -0.000 14.739 1.381) 14.804 16.385 ( 0.000 -23.478 5.656) 24.150 17.381 ( -0.000 12.515 -27.310) 30.041 17.449 ( 0.000 -20.390 -6.483) 21.396 18.285 ( 0.000 -11.361 4.430) 12.194 18.547 ( 0.000 -6.335 0.561) 6.360 19.778 ( -0.000 7.090 2.977) 7.690 20.178 ( -0.000 4.394 1.011) 4.509 20.560 ( -0.000 4.196 -2.772) 5.029 21.495 ( -0.000 0.983 -3.680) 3.809 21.538 ( 0.000 0.067 1.032) 1.034 21.922 ( 0.000 -1.707 12.216) 12.334 ======================= Grid point 46 (39/75) ======================= q-point: ( 0.12 -0.12 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 3.487 16.668 -0.000) 17.028 1.169 ( 1.406 5.106 -0.000) 5.296 1.345 ( 5.457 24.375 -0.000) 24.978 1.665 ( 2.934 19.037 -0.000) 19.262 2.203 ( -0.514 9.428 -0.000) 9.442 2.421 ( 25.375 31.835 -0.000) 40.711 2.429 ( -3.861 9.443 -0.000) 10.202 2.693 ( 5.330 0.447 0.000) 5.349 2.719 ( 17.713 -2.248 0.000) 17.855 2.809 ( 10.333 -1.709 0.000) 10.473 3.148 ( -4.982 8.416 -0.000) 9.780 3.214 ( 10.259 12.430 -0.000) 16.117 3.631 ( 0.836 17.083 -0.000) 17.104 3.789 ( -0.844 -0.041 -0.000) 0.845 3.995 ( 16.003 0.321 0.000) 16.006 4.545 ( 0.069 3.682 -0.000) 3.682 4.700 ( 0.774 6.506 -0.000) 6.552 5.053 ( -8.507 -8.041 -0.000) 11.705 5.124 ( -1.024 8.704 -0.000) 8.764 5.550 ( -2.959 6.673 -0.000) 7.300 5.780 ( -3.696 -4.514 0.000) 5.834 5.968 ( -2.055 -1.935 -0.000) 2.823 6.010 ( -4.113 -9.851 0.000) 10.675 6.511 ( -11.409 -0.914 -0.000) 11.446 6.528 ( -3.398 11.888 -0.000) 12.364 7.138 ( -9.309 -14.860 0.000) 17.535 7.380 ( -4.695 -8.989 0.000) 10.141 7.544 ( 1.767 -17.467 0.000) 17.556 7.794 ( 7.068 -4.265 0.000) 8.256 8.111 ( 8.330 -11.681 0.000) 14.347 8.391 ( -0.183 22.235 -0.000) 22.236 8.795 ( 3.391 -8.855 0.000) 9.482 8.803 ( -5.939 6.719 -0.000) 8.968 8.993 ( 0.102 -8.235 0.000) 8.236 9.242 ( 7.486 -3.898 0.000) 8.440 9.418 ( -2.406 3.744 -0.000) 4.451 9.660 ( -6.736 0.554 -0.000) 6.758 9.783 ( -0.042 -2.256 0.000) 2.257 10.067 ( -9.973 3.349 -0.000) 10.520 10.068 ( -6.017 4.053 -0.000) 7.255 10.152 ( -14.566 12.623 -0.000) 19.274 10.637 ( 1.739 -7.171 0.000) 7.379 10.661 ( 0.887 4.234 -0.000) 4.326 10.770 ( -0.554 -3.344 0.000) 3.390 11.459 ( 3.376 -1.112 0.000) 3.554 11.642 ( -7.310 -5.766 -0.000) 9.310 11.985 ( 5.892 -9.290 0.000) 11.001 12.255 ( 4.523 -12.869 0.000) 13.640 12.401 ( -5.063 -0.171 -0.000) 5.066 12.619 ( 38.435 -21.658 0.000) 44.117 12.907 ( -3.487 0.624 -0.000) 3.542 13.390 ( -0.364 13.208 -0.000) 13.213 14.469 ( 10.754 16.100 -0.000) 19.361 15.118 ( 7.780 5.239 0.000) 9.380 15.967 ( -5.334 12.929 -0.000) 13.986 16.286 ( -2.853 -24.618 0.000) 24.782 17.549 ( 2.513 -18.528 0.000) 18.698 17.858 ( 3.804 5.255 -0.000) 6.487 18.008 ( -10.841 -4.777 -0.000) 11.847 18.544 ( -0.741 -12.889 0.000) 12.911 19.814 ( 5.898 5.117 0.000) 7.808 20.155 ( -1.038 4.807 -0.000) 4.918 20.661 ( 3.734 2.974 0.000) 4.774 21.346 ( -16.375 9.958 -0.000) 19.165 21.523 ( -0.237 0.790 -0.000) 0.824 21.669 ( -2.700 3.757 -0.000) 4.627 ======================= Grid point 48 (40/75) ======================= q-point: (-0.22 -0.12 0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.450 3.087 -1.107) 3.311 1.365 ( 0.872 -4.454 -1.433) 4.759 2.119 ( -2.457 6.362 -4.127) 7.972 2.223 ( 4.837 0.481 -5.619) 7.430 2.234 ( 8.898 3.322 -5.977) 11.222 2.339 ( -2.217 -2.858 -6.632) 7.554 2.584 ( 1.912 -1.372 2.595) 3.503 2.629 ( -6.187 -3.815 5.590) 9.169 3.332 ( 1.036 3.898 3.907) 5.616 3.342 ( -0.244 4.626 2.777) 5.401 3.671 ( -2.846 5.375 3.275) 6.908 3.849 ( 7.675 -11.887 -0.643) 14.164 3.938 ( 7.736 3.735 -10.398) 13.487 3.987 ( -4.749 -2.443 -14.719) 15.658 4.285 ( 10.873 13.530 -3.009) 17.617 4.599 ( -3.970 -12.061 -1.747) 12.817 4.797 ( 12.803 0.797 0.209) 12.829 4.913 ( -13.978 -10.249 2.243) 17.478 5.060 ( -1.928 6.976 3.816) 8.182 5.161 ( -2.902 -3.425 12.001) 12.813 5.592 ( -1.950 8.331 -6.480) 10.733 5.777 ( 3.164 -10.023 -1.475) 10.613 6.223 ( 7.633 9.195 -0.160) 11.951 6.292 ( -5.015 4.704 0.426) 6.889 6.547 ( 3.236 5.445 -8.943) 10.958 6.712 ( -7.755 -10.981 -7.349) 15.321 7.164 ( -2.318 10.897 7.662) 13.521 7.446 ( -0.726 -17.362 3.095) 17.651 7.847 ( 5.339 4.927 3.317) 7.986 7.900 ( -8.787 -0.198 5.746) 10.501 8.326 ( 3.947 2.903 2.175) 5.360 8.402 ( 1.281 -4.214 7.061) 8.322 8.844 ( -3.218 8.747 0.849) 9.359 9.030 ( 0.417 -10.690 0.658) 10.718 9.261 ( -1.787 7.366 1.361) 7.701 9.412 ( 2.005 -6.922 1.530) 7.367 9.603 ( -2.211 15.226 -0.223) 15.387 9.707 ( -2.286 -1.128 -0.418) 2.583 9.732 ( 0.137 -0.325 -2.029) 2.060 9.910 ( 5.011 -9.680 -0.169) 10.902 10.239 ( 5.402 6.829 -1.367) 8.814 10.402 ( -5.527 -8.220 -0.531) 9.919 10.987 ( 4.282 2.904 -7.669) 9.251 11.044 ( -1.714 -2.785 -6.467) 7.246 11.308 ( 2.934 6.102 3.609) 7.673 11.419 ( -4.760 -5.826 5.201) 9.146 11.966 ( -1.217 5.484 2.818) 6.284 12.053 ( -1.518 -3.789 2.420) 4.746 12.729 ( -7.564 0.654 -5.526) 9.390 12.743 ( 6.779 -0.738 -4.414) 8.122 13.024 ( -7.126 10.253 6.765) 14.201 13.245 ( 7.296 -12.836 9.585) 17.603 15.109 ( 3.104 7.294 -1.110) 8.004 15.287 ( -2.023 -11.659 0.995) 11.875 15.959 ( 2.246 24.481 -11.632) 27.197 16.411 ( -2.385 -19.576 -5.648) 20.514 16.893 ( 0.211 13.502 12.511) 18.408 17.199 ( -1.359 -16.376 16.757) 23.470 18.273 ( 2.656 4.147 -2.409) 5.483 18.316 ( -4.722 -0.576 0.483) 4.781 20.101 ( 0.846 7.434 -1.890) 7.717 20.245 ( 0.483 -7.392 -2.531) 7.828 20.949 ( 1.735 9.355 -2.268) 9.781 21.128 ( -1.426 -9.101 -4.207) 10.127 21.564 ( -1.261 1.949 -1.075) 2.559 21.601 ( 2.196 -1.886 -0.939) 3.043 ======================= Grid point 49 (41/75) ======================= q-point: ( 0.62 -0.12 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 1.215 1.938 0.418) 2.325 1.403 ( 2.211 -3.547 0.919) 4.279 2.062 ( -9.491 2.912 -0.277) 9.932 2.231 ( -5.406 3.820 7.735) 10.181 2.308 ( -0.633 3.715 5.469) 6.642 2.381 ( -3.544 -2.022 -2.650) 4.866 2.498 ( 3.287 -4.521 -1.898) 5.903 2.696 ( 2.901 0.083 -4.644) 5.476 3.085 ( -16.657 8.493 1.840) 18.788 3.165 ( -10.165 0.884 -0.463) 10.214 3.370 ( -16.865 -10.607 3.698) 20.264 3.820 ( -1.120 3.638 -0.858) 3.902 4.013 ( -4.903 -8.382 5.455) 11.138 4.151 ( -3.039 16.010 7.938) 18.126 4.453 ( -9.398 -7.091 -3.763) 12.359 4.567 ( 8.386 2.584 7.504) 11.546 4.790 ( 9.500 -5.825 -0.138) 11.145 4.961 ( 1.306 3.612 0.021) 3.841 5.014 ( 4.519 -2.235 -8.079) 9.523 5.272 ( 17.551 -3.799 -2.083) 18.078 5.694 ( 2.011 3.959 -3.805) 5.847 5.813 ( 1.387 -1.765 6.859) 7.217 6.017 ( -12.107 6.503 2.737) 14.013 6.204 ( -10.038 -6.173 -4.902) 12.764 6.774 ( 6.202 9.419 7.796) 13.710 6.948 ( 8.142 -0.012 -5.431) 9.787 7.015 ( -1.337 3.393 -7.586) 8.417 7.462 ( 5.309 -14.730 -0.201) 15.659 7.605 ( -7.996 -0.260 0.476) 8.014 8.024 ( 7.167 6.881 -4.083) 10.742 8.307 ( 1.559 -4.338 5.582) 7.239 8.395 ( 4.627 1.097 0.388) 4.771 8.861 ( 2.777 3.854 -2.339) 5.295 8.976 ( -2.416 -4.685 -0.363) 5.283 9.337 ( 2.904 -0.946 -0.461) 3.089 9.427 ( 4.763 2.507 0.476) 5.403 9.583 ( -2.112 10.348 -2.783) 10.922 9.649 ( 0.129 -0.192 0.512) 0.562 9.830 ( 5.895 -2.906 -1.890) 6.839 10.015 ( 3.151 -8.016 4.978) 9.948 10.245 ( 0.493 6.634 5.113) 8.390 10.373 ( -0.831 -4.775 -5.179) 7.093 11.003 ( -9.857 -0.130 2.485) 10.166 11.054 ( -3.343 -0.370 0.749) 3.446 11.278 ( -0.124 5.889 5.011) 7.733 11.387 ( 3.612 -5.277 -7.262) 9.676 11.844 ( -4.175 0.447 -1.689) 4.526 12.067 ( -1.794 0.344 -1.304) 2.244 12.683 ( -4.000 -0.033 -0.594) 4.044 12.778 ( -6.479 1.100 -1.560) 6.754 12.959 ( 3.142 3.366 -3.226) 5.623 13.226 ( 7.386 -6.641 5.227) 11.224 14.783 ( -20.353 -0.534 1.033) 20.386 15.458 ( 6.563 -2.292 0.501) 6.970 16.160 ( 1.316 21.373 5.311) 22.062 16.388 ( -0.402 6.715 -7.638) 10.178 16.862 ( -0.998 -13.336 10.644) 17.092 16.964 ( 3.876 -14.219 -9.684) 17.635 18.253 ( -0.935 1.702 -0.668) 2.053 18.399 ( 4.706 2.441 -1.606) 5.540 20.076 ( -4.139 4.666 1.007) 6.318 20.260 ( -0.876 -4.345 0.486) 4.458 20.819 ( -9.390 2.897 1.031) 9.881 21.272 ( 4.950 -3.330 -0.917) 6.036 21.554 ( 0.354 -0.747 0.216) 0.854 21.775 ( 11.135 0.418 0.460) 11.152 ======================= Grid point 51 (42/75) ======================= q-point: ( 0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -0.000 1.344 2.609) 2.934 1.513 ( -0.000 8.197 1.840) 8.401 1.900 ( -0.000 12.702 -6.209) 14.138 2.007 ( -0.000 19.779 1.635) 19.846 2.096 ( 0.000 -7.693 -5.859) 9.671 2.319 ( -0.000 5.431 1.875) 5.746 2.468 ( -0.000 0.048 -5.833) 5.833 2.665 ( -0.000 1.510 0.268) 1.534 2.849 ( 0.000 -0.741 2.390) 2.502 2.905 ( -0.000 3.054 1.643) 3.467 3.197 ( -0.000 13.834 -19.551) 23.951 3.641 ( -0.000 13.567 19.312) 23.601 3.653 ( -0.000 0.940 -2.234) 2.423 3.967 ( -0.000 4.439 5.224) 6.855 4.367 ( -0.000 4.316 -4.852) 6.494 4.778 ( 0.000 0.751 21.022) 21.036 5.100 ( 0.000 -5.036 2.126) 5.467 5.141 ( 0.000 0.417 6.750) 6.763 5.454 ( -0.000 0.653 -10.935) 10.955 5.469 ( -0.000 8.216 -1.642) 8.379 5.682 ( 0.000 -6.204 0.421) 6.218 5.696 ( -0.000 1.379 -2.252) 2.640 5.804 ( 0.000 -4.851 -3.295) 5.865 5.994 ( 0.000 -3.631 -13.264) 13.752 6.800 ( 0.000 -1.371 -2.322) 2.696 7.063 ( 0.000 -3.847 1.458) 4.114 7.100 ( 0.000 -8.535 1.638) 8.691 7.360 ( 0.000 -9.142 4.833) 10.341 7.638 ( -0.000 2.903 3.045) 4.207 7.987 ( 0.000 -9.100 6.646) 11.269 8.538 ( 0.000 -3.995 -1.951) 4.446 8.692 ( -0.000 20.260 -10.635) 22.881 8.933 ( 0.000 -3.499 2.679) 4.407 8.977 ( -0.000 1.146 -3.983) 4.144 9.145 ( 0.000 -13.576 7.180) 15.358 9.338 ( -0.000 3.619 -0.769) 3.700 9.684 ( -0.000 -0.103 -2.042) 2.044 9.882 ( 0.000 -0.366 2.459) 2.486 10.009 ( 0.000 -1.732 0.991) 1.996 10.117 ( 0.000 -0.829 -3.673) 3.765 10.460 ( 0.000 -1.195 1.991) 2.322 10.561 ( 0.000 -0.822 -1.999) 2.162 10.702 ( -0.000 13.307 -24.041) 27.478 10.960 ( 0.000 -1.356 5.511) 5.675 11.094 ( -0.000 8.435 9.310) 12.563 11.365 ( 0.000 -6.268 -4.449) 7.686 11.734 ( 0.000 -10.259 5.515) 11.647 11.797 ( 0.000 -1.495 -2.031) 2.522 12.480 ( 0.000 -4.385 6.780) 8.075 12.664 ( 0.000 -3.108 5.027) 5.910 12.975 ( 0.000 -1.083 1.704) 2.019 13.586 ( -0.000 5.691 -1.377) 5.855 14.269 ( -0.000 9.896 -10.998) 14.795 15.504 ( -0.000 5.429 6.019) 8.105 16.149 ( 0.000 -18.992 11.164) 22.030 16.297 ( -0.000 2.443 -5.258) 5.798 17.014 ( 0.000 -2.693 0.850) 2.824 17.137 ( -0.000 10.671 -17.018) 20.086 18.188 ( 0.000 -7.397 3.756) 8.296 18.458 ( 0.000 -8.284 3.782) 9.107 19.935 ( -0.000 4.999 0.487) 5.023 20.250 ( -0.000 2.320 -0.621) 2.402 20.594 ( -0.000 2.817 -1.002) 2.990 21.420 ( -0.000 0.460 -4.053) 4.079 21.589 ( -0.000 3.066 0.918) 3.200 22.061 ( 0.000 -2.374 5.495) 5.986 ======================= Grid point 52 (43/75) ======================= q-point: ( 0.30 -0.13 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -0.181 1.721 3.170) 3.611 1.435 ( -2.004 12.552 1.247) 12.773 1.839 ( -0.936 20.748 0.790) 20.784 2.071 ( 3.277 14.280 3.851) 15.149 2.297 ( -1.452 3.553 -1.132) 4.002 2.449 ( 4.596 -3.320 -6.201) 8.402 2.585 ( -2.989 2.591 -0.409) 3.977 2.736 ( 11.214 -0.525 -5.448) 12.478 2.840 ( 5.249 -1.502 7.150) 8.996 2.962 ( 7.562 6.913 -5.046) 11.420 3.257 ( 6.838 21.924 12.876) 26.329 3.665 ( 6.200 17.486 -14.036) 23.264 3.859 ( 1.634 6.203 11.754) 13.390 3.924 ( 17.424 0.818 0.289) 17.446 4.202 ( -5.361 14.666 13.162) 20.423 4.493 ( -1.324 7.064 -9.049) 11.556 4.909 ( -9.311 -6.391 6.147) 12.858 4.979 ( -0.738 -1.229 6.774) 6.924 5.330 ( -4.696 9.534 2.675) 10.959 5.571 ( -9.102 -10.118 -3.658) 14.093 5.681 ( -3.642 3.030 1.191) 4.885 5.815 ( -2.839 -6.342 -1.425) 7.093 5.889 ( 10.758 0.449 -5.965) 12.309 6.308 ( -2.305 -7.224 -10.109) 12.637 6.788 ( -4.129 10.571 2.343) 11.588 6.882 ( -13.273 -14.905 4.336) 20.423 7.130 ( 3.117 -16.725 -5.339) 17.831 7.287 ( 2.941 -5.508 3.248) 7.038 7.685 ( 8.344 -2.405 -0.702) 8.712 7.916 ( 1.916 -9.019 1.023) 9.277 8.561 ( -0.562 -7.567 -2.285) 7.925 8.805 ( -2.984 21.039 -5.529) 21.958 8.862 ( -3.950 -3.765 1.445) 5.645 8.942 ( -2.593 -4.231 2.718) 5.658 9.175 ( 5.719 -4.910 0.331) 7.545 9.378 ( -1.588 4.543 -4.947) 6.902 9.659 ( -4.652 -0.781 0.838) 4.791 9.820 ( 0.177 -0.199 3.576) 3.586 10.023 ( -3.180 0.448 -8.234) 8.838 10.152 ( -4.076 5.024 -0.993) 6.545 10.330 ( -12.598 5.951 0.494) 13.941 10.450 ( -3.052 -4.067 -2.925) 5.866 10.783 ( 1.993 0.618 7.172) 7.469 10.930 ( 1.034 3.313 12.877) 13.336 11.326 ( 4.548 -0.899 -16.926) 17.549 11.444 ( -0.619 -0.838 -2.542) 2.748 11.737 ( 7.623 -12.747 -0.833) 14.876 11.976 ( 8.091 -8.653 -3.240) 12.282 12.439 ( 5.498 -3.655 4.353) 7.908 12.500 ( 7.100 -7.086 9.402) 13.748 12.924 ( -2.729 0.468 0.561) 2.825 13.594 ( -0.703 9.356 -2.045) 9.603 14.657 ( 10.374 14.368 -11.576) 21.167 15.340 ( 1.854 6.295 9.887) 11.866 15.919 ( -3.353 -21.268 7.024) 22.647 16.334 ( -3.026 20.167 0.591) 20.401 17.069 ( 1.808 -20.534 -5.856) 21.429 17.536 ( 1.144 4.318 -19.110) 19.625 18.108 ( 2.230 -6.088 6.249) 9.005 18.351 ( -2.472 -11.533 3.406) 12.277 19.938 ( 3.440 4.014 2.748) 5.958 20.249 ( -0.907 4.169 0.287) 4.276 20.678 ( 2.889 3.259 -2.447) 4.996 21.449 ( -7.087 2.473 -2.873) 8.038 21.546 ( -1.336 1.582 1.158) 2.372 21.826 ( -6.333 1.212 6.810) 9.378 ======================= Grid point 53 (44/75) ======================= q-point: ( 0.13 -0.13 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -0.010 -0.456 0.000) 0.456 1.383 ( -2.590 9.749 -0.000) 10.087 1.896 ( 6.077 19.058 -0.000) 20.003 2.054 ( 3.122 11.858 -0.000) 12.262 2.233 ( -5.345 0.103 -0.000) 5.346 2.330 ( -12.126 0.940 -0.000) 12.162 2.605 ( -0.135 -7.048 0.000) 7.049 2.922 ( 8.015 2.745 0.000) 8.472 3.112 ( 11.986 -5.748 0.000) 13.293 3.175 ( 3.581 4.964 -0.000) 6.121 3.400 ( 8.220 10.553 -0.000) 13.377 3.519 ( 1.545 3.475 -0.000) 3.803 3.988 ( 1.639 17.713 -0.000) 17.788 4.003 ( -3.177 16.114 -0.000) 16.424 4.434 ( 13.948 -6.214 0.000) 15.270 4.603 ( -9.913 -12.539 0.000) 15.984 4.721 ( 12.836 17.411 -0.000) 21.631 4.845 ( 2.612 1.804 0.000) 3.175 5.246 ( 0.390 11.045 -0.000) 11.052 5.377 ( -10.856 -15.683 0.000) 19.074 5.470 ( -14.040 -5.817 -0.000) 15.197 5.736 ( -5.238 3.648 -0.000) 6.383 6.197 ( 11.308 -1.342 0.000) 11.387 6.329 ( -0.207 5.022 -0.000) 5.026 6.464 ( -17.591 -16.897 -0.000) 24.392 6.605 ( -8.752 1.121 -0.000) 8.824 7.309 ( 6.219 1.962 0.000) 6.521 7.346 ( 4.700 -10.734 0.000) 11.718 7.925 ( 9.241 0.500 0.000) 9.254 7.955 ( 0.636 -11.537 0.000) 11.555 8.607 ( -11.689 -6.276 -0.000) 13.267 8.690 ( 7.812 -13.303 0.000) 15.427 8.825 ( -4.174 23.068 -0.000) 23.443 8.952 ( 6.655 -3.881 0.000) 7.704 9.259 ( 3.019 -5.634 0.000) 6.392 9.413 ( -2.837 2.371 -0.000) 3.698 9.497 ( -8.114 0.787 -0.000) 8.152 9.798 ( 3.201 -1.860 0.000) 3.702 9.881 ( -12.765 7.057 -0.000) 14.586 10.125 ( -5.674 4.783 -0.000) 7.421 10.204 ( 3.689 12.709 -0.000) 13.234 10.393 ( -8.469 -10.008 0.000) 13.111 10.750 ( 0.516 0.447 0.000) 0.683 10.776 ( 3.257 0.752 0.000) 3.343 11.439 ( -1.846 -2.944 0.000) 3.475 11.500 ( 0.446 0.571 -0.000) 0.724 11.930 ( 6.526 -9.909 0.000) 11.865 12.265 ( 13.785 -7.332 0.000) 15.613 12.270 ( -4.865 -0.445 -0.000) 4.886 12.782 ( -1.129 -2.607 0.000) 2.841 12.920 ( 14.484 -10.340 0.000) 17.796 13.618 ( -0.933 12.570 -0.000) 12.605 15.082 ( 13.504 20.452 -0.000) 24.508 15.220 ( -1.337 -4.730 0.000) 4.916 15.742 ( -5.229 -22.533 0.000) 23.132 16.202 ( -5.047 25.997 -0.000) 26.483 17.270 ( 7.642 -22.338 0.000) 23.609 17.802 ( -3.320 -0.734 -0.000) 3.400 18.105 ( 9.195 6.203 0.000) 11.091 18.229 ( -4.829 -13.012 0.000) 13.879 19.988 ( 4.080 1.681 0.000) 4.413 20.195 ( -3.279 4.021 -0.000) 5.188 20.761 ( 2.876 -1.324 0.000) 3.166 21.210 ( -12.512 7.079 -0.000) 14.375 21.513 ( -0.437 -0.892 0.000) 0.993 21.657 ( -4.236 3.048 -0.000) 5.218 ======================= Grid point 55 (45/75) ======================= q-point: (-0.20 -0.13 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.565 -2.903 -1.877) 3.503 1.357 ( 0.129 1.686 -3.526) 3.910 1.908 ( -14.589 -3.922 -11.215) 18.815 2.120 ( -6.213 -7.973 -9.412) 13.812 2.183 ( 0.004 -10.094 -1.101) 10.154 2.429 ( 5.286 -3.683 -2.269) 6.830 2.509 ( -3.766 7.588 2.793) 8.919 2.760 ( 3.343 3.654 2.270) 5.448 3.099 ( -18.455 -7.373 1.927) 19.967 3.197 ( -13.104 -1.947 2.204) 13.430 3.398 ( -16.063 -0.577 3.773) 16.510 3.722 ( -11.213 -0.914 -16.700) 20.136 3.905 ( 1.497 -5.436 -4.496) 7.211 3.974 ( -7.915 -14.875 3.586) 17.227 4.199 ( 8.610 -5.830 -22.185) 24.501 4.496 ( -12.616 3.800 1.393) 13.249 4.797 ( 12.349 6.804 -0.296) 14.103 5.075 ( 2.265 -1.430 1.511) 3.075 5.131 ( 4.394 -2.656 2.738) 5.819 5.399 ( 15.409 11.340 10.757) 21.949 5.619 ( 0.318 -7.247 -9.485) 11.941 5.775 ( 1.108 1.935 3.150) 3.859 5.989 ( -10.405 -1.713 -0.676) 10.567 6.304 ( -3.399 3.133 3.755) 5.956 6.578 ( 4.440 -12.449 -8.257) 15.584 6.968 ( 11.770 11.173 -3.105) 16.523 7.193 ( 1.962 -1.185 7.237) 7.591 7.485 ( 1.793 15.434 2.955) 15.816 7.691 ( -6.255 -0.616 7.147) 9.518 8.081 ( 6.155 1.593 1.772) 6.601 8.284 ( -0.571 -7.168 2.537) 7.625 8.432 ( 3.409 -1.700 4.040) 5.552 8.911 ( 2.257 1.040 1.896) 3.126 9.010 ( 0.915 5.212 3.318) 6.246 9.330 ( -0.636 2.256 -1.287) 2.674 9.444 ( 6.313 -2.533 1.920) 7.068 9.558 ( -3.963 0.186 -5.399) 6.700 9.703 ( 3.844 -7.233 5.640) 9.945 9.878 ( 5.375 0.249 0.558) 5.409 9.917 ( 4.675 4.387 -2.657) 6.940 10.118 ( -3.513 -6.267 -6.084) 9.415 10.451 ( -0.053 4.158 2.825) 5.028 10.943 ( -0.945 -1.552 -5.709) 5.992 11.043 ( -2.667 -2.222 -2.923) 4.538 11.211 ( -4.976 -3.067 3.439) 6.781 11.486 ( 1.172 6.847 2.257) 7.304 11.919 ( -2.371 1.545 5.049) 5.787 12.120 ( 0.027 2.961 3.671) 4.716 12.616 ( -3.564 1.631 -5.106) 6.437 12.850 ( 0.574 -0.304 0.903) 1.112 12.981 ( -6.235 4.629 2.951) 8.307 13.242 ( 5.849 -2.481 5.136) 8.170 14.771 ( -19.924 -2.176 -0.217) 20.044 15.422 ( 2.793 1.035 -2.910) 4.164 15.964 ( 3.046 -21.528 -9.435) 23.701 16.460 ( 2.062 19.990 -5.733) 20.898 16.893 ( 0.051 -14.338 16.143) 21.592 17.228 ( 1.352 18.917 14.183) 23.682 18.251 ( 0.596 -0.700 -1.487) 1.748 18.426 ( 5.041 1.555 1.246) 5.420 20.033 ( -5.042 -6.028 -2.784) 8.337 20.232 ( -0.781 3.116 -2.275) 3.936 20.776 ( -9.246 -3.915 -2.485) 10.343 21.275 ( 7.122 3.417 -1.523) 8.045 21.540 ( -0.324 0.232 -0.915) 0.998 21.724 ( 9.958 -1.673 -4.157) 10.920 ======================= Grid point 57 (46/75) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -0.000 0.046 -1.590) 1.590 1.593 ( -0.000 4.596 -4.909) 6.725 1.642 ( 0.000 -7.546 -17.819) 19.351 1.787 ( -0.000 4.171 -18.548) 19.011 2.220 ( 0.000 -4.052 -7.817) 8.805 2.380 ( -0.000 6.595 -0.618) 6.624 2.554 ( 0.000 -1.539 -3.679) 3.988 2.621 ( -0.000 6.415 5.625) 8.532 2.798 ( 0.000 -4.822 -0.331) 4.833 2.817 ( 0.000 -6.853 -4.088) 7.980 3.211 ( -0.000 25.419 -16.773) 30.455 3.623 ( 0.000 -11.874 -7.265) 13.920 3.756 ( -0.000 6.330 2.664) 6.867 4.036 ( -0.000 -0.531 -23.855) 23.860 4.427 ( -0.000 9.357 -2.499) 9.685 4.575 ( 0.000 -21.934 -10.799) 24.449 4.908 ( 0.000 -6.610 14.879) 16.281 4.959 ( 0.000 -15.543 -6.759) 16.949 5.247 ( 0.000 -5.386 -8.329) 9.919 5.716 ( -0.000 13.904 2.249) 14.085 5.785 ( -0.000 10.044 7.346) 12.444 5.814 ( -0.000 2.976 4.981) 5.802 5.921 ( -0.000 5.611 8.170) 9.911 6.062 ( -0.000 7.202 3.910) 8.195 6.447 ( 0.000 -14.943 -6.994) 16.499 7.085 ( 0.000 -3.083 6.481) 7.177 7.212 ( -0.000 2.874 8.727) 9.188 7.365 ( 0.000 -4.905 7.710) 9.139 7.897 ( -0.000 13.226 3.623) 13.713 7.938 ( 0.000 -6.948 4.701) 8.389 8.412 ( 0.000 -7.396 0.289) 7.402 8.548 ( -0.000 3.466 -15.936) 16.309 8.947 ( 0.000 -20.921 8.519) 22.589 9.022 ( -0.000 1.805 5.985) 6.251 9.126 ( -0.000 5.454 4.316) 6.955 9.468 ( -0.000 13.807 -4.621) 14.560 9.663 ( -0.000 2.811 -2.526) 3.779 9.893 ( 0.000 -2.270 -0.760) 2.393 9.999 ( 0.000 -5.422 3.204) 6.298 10.039 ( 0.000 -3.169 -0.226) 3.177 10.468 ( 0.000 -1.818 0.743) 1.963 10.490 ( -0.000 10.541 -17.784) 20.673 10.508 ( 0.000 -1.224 0.821) 1.474 10.966 ( 0.000 -8.071 -10.003) 12.853 10.989 ( 0.000 -1.828 1.936) 2.663 11.542 ( -0.000 7.720 9.350) 12.125 11.764 ( 0.000 -1.216 -0.135) 1.223 11.810 ( 0.000 -1.727 10.842) 10.979 12.614 ( 0.000 1.342 7.965) 8.077 12.673 ( 0.000 -2.100 1.134) 2.387 12.981 ( 0.000 -1.407 1.001) 1.726 13.613 ( -0.000 3.639 -3.765) 5.236 14.185 ( -0.000 4.451 -9.866) 10.824 15.491 ( 0.000 -3.430 -11.781) 12.270 15.946 ( 0.000 -9.896 -3.810) 10.604 16.140 ( 0.000 -12.186 15.140) 19.435 17.064 ( -0.000 9.540 -9.134) 13.208 17.435 ( -0.000 18.102 10.290) 20.823 18.190 ( 0.000 -3.964 7.268) 8.279 18.398 ( 0.000 -8.670 6.681) 10.945 19.957 ( -0.000 2.519 -5.840) 6.360 20.234 ( -0.000 0.131 -2.948) 2.951 20.588 ( -0.000 0.229 -2.531) 2.542 21.387 ( -0.000 0.558 0.446) 0.714 21.680 ( -0.000 5.633 -0.783) 5.687 22.088 ( 0.000 -2.848 2.940) 4.094 ======================= Grid point 58 (47/75) ======================= q-point: ( 0.48 -0.15 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -1.168 0.728 1.612) 2.119 1.612 ( -4.409 6.899 -2.281) 8.500 2.054 ( -0.209 6.634 -7.562) 10.062 2.155 ( 11.644 -3.210 -7.982) 14.478 2.293 ( -3.059 0.362 -2.653) 4.066 2.453 ( 0.566 7.909 3.740) 8.767 2.533 ( 3.666 1.087 -3.142) 4.949 2.585 ( -2.197 -1.278 -4.212) 4.920 2.824 ( 3.885 -6.966 -0.679) 8.005 3.015 ( 9.669 4.280 -2.147) 10.790 3.706 ( 4.624 24.620 -16.593) 30.048 3.755 ( 2.299 -4.203 -7.622) 9.003 3.884 ( 13.321 2.884 4.891) 14.480 4.122 ( 3.415 9.291 12.306) 15.793 4.442 ( -7.258 7.012 -6.303) 11.898 4.671 ( 2.940 -14.651 -1.954) 15.070 4.826 ( -10.948 -4.736 5.872) 13.296 4.955 ( 0.447 -5.462 -4.394) 7.024 5.283 ( -10.139 1.832 -3.708) 10.950 5.573 ( -4.548 -1.249 6.423) 7.968 5.600 ( -7.688 0.962 -1.113) 7.827 5.784 ( 3.234 -3.075 -0.778) 4.529 5.971 ( 12.398 7.621 -1.950) 14.683 6.030 ( 1.038 4.337 0.485) 4.486 6.682 ( 6.064 -12.528 -7.951) 16.029 6.821 ( -10.247 -6.641 9.474) 15.454 6.991 ( -6.874 1.295 6.547) 9.580 7.316 ( 8.582 -2.903 4.667) 10.191 7.792 ( -0.288 4.165 2.909) 5.088 7.839 ( 1.460 0.584 5.370) 5.595 8.388 ( -0.163 -9.539 0.825) 9.576 8.785 ( -6.718 -3.118 -7.796) 10.753 8.839 ( -4.968 -1.082 -5.892) 7.782 8.900 ( -0.419 -0.135 4.109) 4.133 9.061 ( 1.669 -4.842 1.180) 5.256 9.555 ( 0.462 14.963 -1.981) 15.100 9.716 ( -3.839 3.909 1.184) 5.605 9.797 ( -6.177 -1.326 -7.566) 9.857 9.890 ( -1.038 -1.460 2.435) 3.023 10.176 ( 4.941 1.734 -3.814) 6.478 10.326 ( -8.507 -3.505 1.462) 9.316 10.426 ( -6.786 0.286 -1.983) 7.075 10.923 ( 3.462 -1.450 3.244) 4.960 11.028 ( 7.992 5.393 -13.160) 16.314 11.252 ( 3.630 -5.561 -9.987) 11.994 11.311 ( -2.044 3.609 15.535) 16.079 11.609 ( 8.142 -4.933 8.147) 12.530 11.852 ( 4.764 -3.252 0.500) 5.790 12.496 ( 5.344 -1.199 6.626) 8.597 12.582 ( 0.294 -3.501 6.788) 7.643 12.942 ( -2.033 -0.043 0.593) 2.118 13.648 ( -2.738 5.446 -5.950) 8.518 14.595 ( 11.418 6.975 -12.240) 18.134 15.608 ( -0.771 7.104 0.751) 7.185 15.798 ( -4.464 -11.889 11.242) 16.961 16.159 ( 4.062 -16.710 -12.134) 21.046 17.141 ( -4.748 13.439 7.669) 16.185 17.342 ( 3.209 10.950 -9.410) 14.790 18.088 ( 2.716 -5.518 3.729) 7.192 18.234 ( -1.670 -11.630 7.008) 13.681 20.023 ( 0.127 1.358 -0.448) 1.436 20.314 ( 2.300 3.072 -0.996) 3.965 20.678 ( 3.145 0.641 -1.910) 3.735 21.396 ( -3.134 0.989 -3.217) 4.599 21.634 ( -2.897 3.597 1.851) 4.976 21.926 ( -6.796 -2.085 3.840) 8.079 ======================= Grid point 60 (48/75) ======================= q-point: ( 0.32 -0.15 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -2.157 -0.057 2.890) 3.607 1.533 ( -5.539 6.630 -0.959) 8.692 2.104 ( -3.934 -1.058 -3.127) 5.135 2.212 ( -4.570 4.236 -2.074) 6.567 2.242 ( -4.958 -0.107 3.015) 5.804 2.434 ( -5.665 9.120 5.537) 12.080 2.565 ( 2.497 2.054 -0.987) 3.381 2.775 ( 2.747 -2.813 -11.193) 11.864 2.998 ( 12.708 -8.158 4.906) 15.878 3.286 ( 8.757 3.622 -0.297) 9.481 3.640 ( 0.907 11.126 6.594) 12.965 3.824 ( -9.822 0.442 4.276) 10.721 4.089 ( -10.403 11.095 -2.133) 15.358 4.258 ( 0.342 4.369 -1.472) 4.623 4.328 ( 7.795 -4.094 0.411) 8.814 4.439 ( -1.441 0.351 -0.144) 1.490 4.870 ( 1.935 -6.545 -1.378) 6.963 4.972 ( -4.493 -3.930 1.939) 6.277 5.132 ( 0.698 16.254 -2.250) 16.424 5.391 ( -11.733 -1.482 0.285) 11.830 5.434 ( -2.094 2.494 -2.025) 3.834 5.842 ( 3.002 -3.830 2.466) 5.455 6.011 ( 3.597 -9.373 2.732) 10.404 6.255 ( -14.943 -4.527 4.530) 16.258 6.435 ( 3.818 1.480 -4.511) 6.092 6.668 ( -4.303 2.485 6.182) 7.932 7.056 ( 10.073 -8.027 -7.399) 14.854 7.460 ( 10.743 3.830 3.929) 12.063 7.744 ( 0.028 -8.226 -0.723) 8.258 7.943 ( 9.465 7.569 -2.319) 12.340 8.402 ( -0.561 -9.099 -1.008) 9.171 8.560 ( -7.137 -8.787 4.971) 12.364 8.917 ( 7.719 -1.007 1.133) 7.867 8.951 ( -9.842 7.102 -15.496) 19.683 9.144 ( 4.240 -7.971 -1.143) 9.100 9.461 ( -7.124 6.337 0.369) 9.542 9.643 ( -0.351 6.241 6.237) 8.831 9.785 ( -3.239 1.738 0.780) 3.758 9.896 ( -8.291 0.842 -9.417) 12.575 10.071 ( -8.121 -7.479 -2.451) 11.309 10.342 ( -2.161 6.362 0.049) 6.719 10.409 ( 3.797 8.772 -1.871) 9.740 10.854 ( -5.212 -3.014 11.831) 13.275 10.870 ( 4.861 -1.811 7.335) 8.984 11.332 ( -2.684 -1.317 -5.215) 6.011 11.509 ( 6.161 3.198 -3.195) 7.642 11.756 ( 7.066 -6.044 1.062) 9.358 11.997 ( 9.944 -6.579 -5.666) 13.201 12.419 ( 3.858 -0.991 9.180) 10.007 12.675 ( 12.070 -5.047 0.093) 13.083 12.869 ( -3.078 0.487 0.318) 3.132 13.750 ( 0.277 7.491 -5.618) 9.367 15.034 ( 3.359 1.861 -8.606) 9.424 15.470 ( -5.373 -12.585 7.541) 15.625 15.571 ( 3.628 16.783 1.703) 17.255 16.550 ( 5.748 -9.522 -11.696) 16.140 16.871 ( -2.471 6.929 6.503) 9.819 17.652 ( 3.210 4.231 -10.098) 11.410 18.044 ( -2.476 -13.666 5.832) 15.063 18.190 ( 9.241 0.146 -0.606) 9.262 20.020 ( 0.270 -0.153 0.184) 0.361 20.313 ( -0.689 4.385 3.581) 5.703 20.743 ( 0.837 -1.882 0.970) 2.277 21.302 ( -10.052 2.634 -0.260) 10.395 21.520 ( -2.080 -0.109 2.049) 2.922 21.721 ( -5.623 1.399 1.520) 5.991 ======================= Grid point 61 (49/75) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -4.007 -2.734 -0.000) 4.851 1.408 ( -6.719 4.048 -0.000) 7.844 1.991 ( -13.861 -2.740 -0.000) 14.129 1.995 ( -16.177 -2.469 -0.000) 16.364 2.043 ( -7.186 -5.475 -0.000) 9.034 2.304 ( 0.677 15.814 -0.000) 15.828 2.635 ( 5.274 2.527 0.000) 5.848 2.918 ( -2.663 -7.497 0.000) 7.956 3.141 ( -0.772 -1.730 0.000) 1.894 3.281 ( -1.324 -0.558 -0.000) 1.437 3.407 ( -14.297 -5.379 -0.000) 15.276 3.570 ( -7.820 -1.413 -0.000) 7.946 3.879 ( -18.702 -4.239 -0.000) 19.176 3.969 ( -9.100 13.932 -0.000) 16.640 4.439 ( -4.028 -0.023 -0.000) 4.028 4.564 ( 5.372 -4.922 0.000) 7.285 4.829 ( -4.411 -9.898 0.000) 10.836 4.881 ( -11.425 0.574 -0.000) 11.439 4.983 ( -1.257 -3.787 0.000) 3.990 5.342 ( 4.839 8.722 -0.000) 9.974 5.703 ( 18.228 11.536 0.000) 21.572 5.809 ( -6.814 -14.655 0.000) 16.162 5.885 ( -4.144 13.181 -0.000) 13.817 6.089 ( 6.192 -12.453 0.000) 13.907 6.339 ( -6.405 -8.100 0.000) 10.327 6.851 ( 14.984 14.936 -0.000) 21.157 7.342 ( 6.036 -2.702 0.000) 6.613 7.615 ( 9.470 7.133 0.000) 11.856 7.828 ( 5.186 -7.025 0.000) 8.732 8.144 ( -13.084 -10.708 -0.000) 16.907 8.206 ( 8.828 7.282 0.000) 11.443 8.688 ( 14.041 -11.596 0.000) 18.210 8.949 ( -10.110 7.590 -0.000) 12.642 9.114 ( 7.087 3.173 0.000) 7.765 9.280 ( 9.026 -3.325 0.000) 9.619 9.362 ( -2.137 -2.119 0.000) 3.010 9.371 ( -5.839 2.007 -0.000) 6.174 9.669 ( -8.224 -1.026 -0.000) 8.288 9.913 ( -2.095 3.656 -0.000) 4.214 10.018 ( -9.972 -4.753 -0.000) 11.047 10.088 ( -4.270 3.511 -0.000) 5.528 10.534 ( 4.353 6.112 -0.000) 7.503 10.726 ( 0.856 -1.696 0.000) 1.899 10.918 ( 2.818 7.813 -0.000) 8.305 11.288 ( 0.324 -8.244 0.000) 8.250 11.599 ( 0.859 4.500 -0.000) 4.581 11.962 ( 11.580 -6.312 0.000) 13.188 12.217 ( -0.990 1.251 -0.000) 1.595 12.501 ( 14.449 -2.180 0.000) 14.613 12.707 ( -5.862 4.245 -0.000) 7.238 12.976 ( 8.246 -10.029 0.000) 12.983 13.839 ( -0.145 12.678 -0.000) 12.678 14.942 ( -13.800 -4.582 -0.000) 14.540 15.256 ( -6.136 -15.109 0.000) 16.308 15.813 ( 11.396 28.813 -0.000) 30.985 16.640 ( 0.050 22.525 -0.000) 22.525 17.034 ( 13.549 -28.068 0.000) 31.167 17.765 ( -0.971 -4.205 0.000) 4.316 17.931 ( -1.895 -5.015 0.000) 5.361 18.474 ( 13.012 6.708 0.000) 14.639 20.057 ( 1.205 -0.174 0.000) 1.217 20.155 ( -6.710 2.987 -0.000) 7.345 20.712 ( -0.185 -6.884 0.000) 6.886 21.029 ( -12.557 2.263 -0.000) 12.759 21.494 ( 1.272 -1.477 0.000) 1.950 21.607 ( -3.975 1.319 -0.000) 4.188 ======================= Grid point 64 (50/75) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.000 0.000 -24.051) 24.051 1.281 ( -0.000 0.000 -5.523) 5.523 1.319 ( -0.000 0.000 -28.400) 28.400 1.521 ( -0.000 0.000 -6.080) 6.080 2.018 ( -0.000 0.000 -6.361) 6.361 2.196 ( -0.000 0.000 -35.663) 35.663 2.261 ( -0.000 0.000 -5.974) 5.974 2.522 ( -0.000 0.000 -3.502) 3.502 2.771 ( 0.000 -0.000 0.441) 0.441 3.000 ( -0.000 0.000 -1.283) 1.283 3.144 ( -0.000 0.000 -6.367) 6.367 3.290 ( -0.000 0.000 -7.585) 7.585 3.473 ( -0.000 0.000 -16.170) 16.170 3.860 ( -0.000 0.000 -0.392) 0.392 4.085 ( -0.000 0.000 -10.019) 10.019 4.547 ( -0.000 0.000 -3.290) 3.290 4.587 ( -0.000 0.000 -2.343) 2.343 5.026 ( -0.000 0.000 -7.055) 7.055 5.273 ( 0.000 -0.000 17.446) 17.446 5.834 ( -0.000 0.000 -18.184) 18.184 5.902 ( 0.000 -0.000 3.401) 3.401 5.987 ( 0.000 -0.000 7.326) 7.326 6.122 ( 0.000 -0.000 5.763) 5.763 6.214 ( -0.000 0.000 -0.447) 0.447 6.231 ( 0.000 -0.000 9.495) 9.495 7.222 ( 0.000 -0.000 8.506) 8.506 7.467 ( 0.000 -0.000 6.224) 6.224 7.496 ( 0.000 -0.000 13.224) 13.224 7.971 ( 0.000 -0.000 4.402) 4.402 8.112 ( -0.000 0.000 -0.970) 0.970 8.295 ( -0.000 0.000 -10.660) 10.660 8.321 ( 0.000 -0.000 1.479) 1.479 8.899 ( 0.000 -0.000 11.504) 11.504 9.161 ( 0.000 -0.000 3.972) 3.972 9.266 ( 0.000 -0.000 4.329) 4.329 9.494 ( -0.000 0.000 -10.985) 10.985 9.627 ( -0.000 0.000 -5.270) 5.270 9.748 ( -0.000 0.000 -3.087) 3.087 9.983 ( 0.000 -0.000 2.854) 2.854 10.037 ( 0.000 -0.000 2.191) 2.191 10.315 ( -0.000 0.000 -8.863) 8.863 10.521 ( 0.000 -0.000 1.551) 1.551 10.530 ( 0.000 -0.000 5.998) 5.998 10.691 ( -0.000 0.000 -7.360) 7.360 11.007 ( 0.000 -0.000 0.178) 0.178 11.626 ( -0.000 0.000 -5.694) 5.694 11.903 ( 0.000 -0.000 11.759) 11.759 12.002 ( 0.000 -0.000 6.925) 6.925 12.625 ( -0.000 0.000 -2.917) 2.917 12.815 ( 0.000 -0.000 6.993) 6.993 12.967 ( -0.000 0.000 -0.376) 0.376 13.594 ( -0.000 0.000 -1.886) 1.886 14.050 ( -0.000 0.000 -5.485) 5.485 15.123 ( -0.000 0.000 -13.494) 13.494 15.834 ( -0.000 0.000 -1.979) 1.979 16.292 ( 0.000 -0.000 12.322) 12.322 17.040 ( -0.000 0.000 -4.274) 4.274 17.802 ( 0.000 -0.000 6.201) 6.201 18.341 ( 0.000 -0.000 9.634) 9.634 18.476 ( 0.000 -0.000 8.828) 8.828 19.794 ( -0.000 0.000 -10.296) 10.296 20.153 ( -0.000 0.000 -4.124) 4.124 20.532 ( -0.000 0.000 -2.405) 2.405 21.432 ( 0.000 -0.000 2.556) 2.556 21.704 ( -0.000 0.000 -3.146) 3.146 22.138 ( 0.000 -0.000 4.020) 4.020 ======================= Grid point 65 (51/75) ======================= q-point: (-0.33 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -1.924 0.000 -2.166) 2.897 1.600 ( -3.128 0.000 -4.830) 5.754 1.828 ( 19.714 0.000 -15.884) 25.318 1.867 ( 1.870 0.000 -15.819) 15.929 2.111 ( -4.528 0.000 -8.807) 9.903 2.454 ( 0.003 0.000 -7.194) 7.194 2.625 ( 6.039 0.000 -2.648) 6.595 2.648 ( 3.205 0.000 -1.270) 3.447 2.736 ( -1.402 -0.000 12.379) 12.458 2.961 ( 14.337 0.000 -5.392) 15.317 3.442 ( -2.524 0.000 -8.487) 8.854 3.641 ( 0.374 0.000 -26.884) 26.887 3.973 ( 7.803 0.000 -20.443) 21.882 3.983 ( 12.648 -0.000 3.132) 13.030 4.300 ( -3.692 0.000 -9.372) 10.073 4.710 ( 4.092 0.000 -6.029) 7.286 4.717 ( 4.019 0.000 -10.480) 11.224 4.781 ( -3.992 -0.000 23.322) 23.661 5.162 ( -2.198 0.000 -7.454) 7.771 5.613 ( -10.144 0.000 -1.028) 10.196 5.823 ( -8.685 -0.000 14.258) 16.695 5.871 ( -7.669 -0.000 6.508) 10.058 6.056 ( 4.984 -0.000 4.135) 6.476 6.179 ( 3.593 -0.000 0.785) 3.678 6.323 ( 4.917 0.000 -11.534) 12.539 6.985 ( -5.143 -0.000 10.621) 11.801 7.203 ( -3.262 -0.000 11.590) 12.041 7.393 ( 6.941 -0.000 5.953) 9.144 7.841 ( -3.448 -0.000 4.832) 5.936 8.093 ( -0.105 -0.000 2.014) 2.017 8.273 ( -0.040 -0.000 2.017) 2.017 8.545 ( -2.862 0.000 -12.539) 12.861 8.724 ( 0.888 -0.000 5.503) 5.574 9.039 ( 0.146 -0.000 6.435) 6.437 9.095 ( -6.169 -0.000 4.399) 7.577 9.578 ( -4.535 0.000 -5.277) 6.958 9.737 ( -6.410 0.000 -1.358) 6.552 9.840 ( 5.597 0.000 -3.968) 6.861 9.856 ( -4.405 -0.000 2.028) 4.850 10.029 ( -4.199 0.000 -6.148) 7.445 10.313 ( -1.592 0.000 -1.929) 2.501 10.393 ( -4.352 0.000 1.163) 4.504 10.864 ( 12.775 0.000 -7.492) 14.810 10.950 ( 6.377 0.000 -7.782) 10.061 10.985 ( 1.623 -0.000 2.019) 2.591 11.678 ( -3.658 -0.000 14.669) 15.118 11.774 ( 2.399 0.000 -4.063) 4.718 11.830 ( 9.439 -0.000 12.164) 15.396 12.637 ( 0.274 -0.000 1.794) 1.815 12.662 ( 2.124 -0.000 8.628) 8.886 12.947 ( -1.735 0.000 0.345) 1.769 13.563 ( -5.719 0.000 -6.734) 8.835 14.442 ( 15.906 0.000 -7.732) 17.685 15.469 ( 2.025 0.000 -15.780) 15.909 15.829 ( -2.348 0.000 0.514) 2.403 15.995 ( -1.830 -0.000 13.022) 13.150 17.161 ( 0.149 0.000 -6.426) 6.428 17.638 ( -0.462 -0.000 7.777) 7.791 18.121 ( -2.141 -0.000 7.387) 7.691 18.281 ( -0.050 -0.000 8.561) 8.561 19.964 ( -1.304 0.000 -5.845) 5.988 20.295 ( 4.418 0.000 -3.744) 5.792 20.625 ( 3.135 0.000 -2.710) 4.144 21.389 ( -0.179 -0.000 1.218) 1.231 21.701 ( -4.165 0.000 -0.533) 4.199 21.950 ( -8.308 0.000 1.512) 8.445 ======================= Grid point 66 (52/75) ======================= q-point: (-0.50 -0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -2.878 -0.000 0.836) 2.997 1.574 ( -5.037 -0.000 -1.528) 5.264 1.974 ( -6.097 0.000 -3.865) 7.219 2.162 ( -6.183 -0.000 -5.946) 8.578 2.348 ( 1.012 -0.000 4.071) 4.195 2.515 ( -4.759 0.000 -0.816) 4.829 2.557 ( 8.171 -0.000 -4.230) 9.201 2.716 ( 7.573 -0.000 4.086) 8.605 2.895 ( 10.202 0.000 -3.774) 10.878 3.340 ( 10.613 0.000 -0.714) 10.637 3.519 ( -10.892 0.000 -13.597) 17.422 4.028 ( -11.857 -0.000 -18.237) 21.753 4.123 ( -7.297 -0.000 23.371) 24.484 4.185 ( 5.747 0.000 -1.864) 6.042 4.419 ( 4.939 0.000 -2.134) 5.380 4.522 ( 9.961 0.000 -12.076) 15.654 4.720 ( -3.117 -0.000 20.181) 20.420 5.024 ( -1.598 0.000 -3.478) 3.827 5.205 ( 0.363 0.000 -5.598) 5.610 5.371 ( -4.483 0.000 1.145) 4.627 5.591 ( -3.972 0.000 2.236) 4.558 5.610 ( -0.892 0.000 -1.050) 1.378 6.121 ( 1.568 -0.000 7.912) 8.065 6.144 ( -4.326 -0.000 -10.806) 11.640 6.499 ( -8.665 0.000 10.923) 13.942 6.786 ( 9.089 0.000 -7.870) 12.023 6.921 ( 2.539 0.000 10.259) 10.568 7.542 ( 12.564 0.000 1.939) 12.713 7.677 ( -2.751 0.000 2.124) 3.476 8.084 ( 0.698 0.000 -0.840) 1.092 8.275 ( 3.660 0.000 1.833) 4.093 8.576 ( -6.058 0.000 5.257) 8.021 8.678 ( -9.067 0.000 -13.951) 16.639 8.978 ( 0.895 0.000 -2.402) 2.563 8.985 ( 6.539 -0.000 4.060) 7.697 9.555 ( -6.835 0.000 1.862) 7.084 9.646 ( -4.915 0.000 -10.301) 11.413 9.808 ( -0.559 0.000 -1.360) 1.470 9.866 ( -11.489 0.000 -3.801) 12.102 9.946 ( -2.296 0.000 6.187) 6.600 10.338 ( -2.599 0.000 -4.189) 4.929 10.454 ( 8.726 0.000 -2.264) 9.015 10.949 ( 2.132 0.000 5.183) 5.604 11.157 ( -8.764 0.000 15.864) 18.123 11.210 ( 0.796 0.000 -5.864) 5.918 11.369 ( 11.544 0.000 -11.533) 16.318 11.800 ( -1.541 0.000 3.131) 3.490 11.905 ( 13.510 0.000 5.104) 14.442 12.587 ( 4.397 -0.000 6.964) 8.236 12.643 ( 7.523 0.000 1.862) 7.750 12.884 ( -3.472 0.000 0.418) 3.497 13.658 ( -2.504 0.000 -10.021) 10.329 14.898 ( 9.444 0.000 -6.101) 11.243 15.522 ( -6.314 0.000 8.989) 10.985 15.782 ( -0.697 0.000 -2.656) 2.746 15.999 ( 4.982 0.000 -12.703) 13.645 17.175 ( -3.577 0.000 3.740) 5.176 17.617 ( 4.247 0.000 -4.086) 5.893 17.975 ( -0.480 -0.000 5.305) 5.327 18.184 ( 4.928 0.000 2.815) 5.675 19.995 ( -2.227 0.000 -1.618) 2.753 20.417 ( 2.098 0.000 0.343) 2.126 20.725 ( 1.652 -0.000 -0.143) 1.659 21.342 ( -2.592 -0.000 1.978) 3.261 21.573 ( -4.486 0.000 2.104) 4.955 21.759 ( -6.675 0.000 0.883) 6.733 ======================= Grid point 67 (53/75) ======================= q-point: ( 0.33 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -3.298 -0.000 4.419) 5.514 1.455 ( -6.718 0.000 0.731) 6.758 1.893 ( -3.937 0.000 -0.216) 3.943 2.034 ( -13.199 -0.000 6.773) 14.835 2.053 ( -16.430 0.000 -0.573) 16.440 2.387 ( -4.474 0.000 -5.610) 7.176 2.729 ( 3.174 -0.000 1.811) 3.654 2.946 ( 3.610 0.000 -7.782) 8.578 2.958 ( 1.319 -0.000 13.087) 13.153 3.362 ( -9.278 -0.000 3.283) 9.842 3.503 ( -16.552 0.000 -7.295) 18.089 3.676 ( -20.191 -0.000 19.770) 28.259 3.696 ( -5.302 0.000 -0.455) 5.321 4.101 ( -9.126 0.000 -8.229) 12.288 4.388 ( -4.446 0.000 -4.719) 6.484 4.576 ( -9.962 -0.000 13.305) 16.621 4.706 ( 7.757 -0.000 -0.863) 7.804 4.895 ( 5.835 0.000 -4.319) 7.259 5.059 ( -11.790 -0.000 11.379) 16.386 5.431 ( -2.548 0.000 -7.589) 8.005 5.661 ( 1.508 -0.000 1.464) 2.102 5.809 ( 15.359 -0.000 -1.577) 15.440 5.918 ( 2.271 -0.000 4.691) 5.212 6.159 ( -8.217 0.000 -4.258) 9.255 6.194 ( 0.778 -0.000 6.944) 6.987 7.031 ( 15.025 -0.000 0.977) 15.057 7.188 ( 8.861 0.000 -8.514) 12.288 7.717 ( 6.249 0.000 -2.266) 6.647 7.741 ( 10.028 -0.000 3.559) 10.641 8.004 ( -13.806 0.000 -2.993) 14.127 8.341 ( 5.807 -0.000 1.546) 6.009 8.555 ( 15.002 -0.000 2.229) 15.167 8.771 ( -10.994 0.000 -15.700) 19.167 9.149 ( 5.793 0.000 -4.845) 7.552 9.178 ( 14.042 -0.000 -0.301) 14.045 9.410 ( -2.876 -0.000 1.886) 3.439 9.503 ( -13.383 -0.000 4.690) 14.181 9.712 ( -5.752 -0.000 5.564) 8.003 9.814 ( -7.043 0.000 -8.596) 11.113 9.873 ( 2.568 0.000 -2.639) 3.682 10.356 ( -10.054 -0.000 12.314) 15.898 10.454 ( 0.577 0.000 -7.897) 7.919 10.848 ( 1.495 -0.000 8.014) 8.153 11.022 ( 14.094 -0.000 -2.490) 14.312 11.152 ( -10.024 0.000 0.444) 10.034 11.687 ( -0.997 -0.000 3.016) 3.177 11.828 ( 12.180 0.000 -6.565) 13.837 12.155 ( 7.106 0.000 -3.610) 7.971 12.577 ( 9.617 -0.000 6.934) 11.856 12.781 ( -4.547 0.000 0.813) 4.619 12.833 ( 6.819 0.000 -2.261) 7.184 13.848 ( -0.212 0.000 -10.753) 10.756 14.926 ( -10.322 0.000 2.263) 10.567 15.183 ( -7.089 -0.000 7.282) 10.163 16.104 ( 12.078 0.000 -17.353) 21.143 16.373 ( 3.792 0.000 -11.533) 12.141 16.984 ( -1.557 -0.000 6.653) 6.833 17.828 ( 2.751 -0.000 11.332) 11.662 17.836 ( 3.095 0.000 -5.957) 6.713 18.432 ( 11.050 0.000 -8.304) 13.822 19.967 ( -3.965 0.000 -3.170) 5.076 20.342 ( -2.110 -0.000 7.003) 7.314 20.668 ( -3.282 -0.000 2.719) 4.261 21.143 ( -6.323 -0.000 8.336) 10.462 21.493 ( 0.662 -0.000 1.199) 1.369 21.628 ( -4.276 0.000 0.655) 4.326 ======================= Grid point 68 (54/75) ======================= q-point: ( 0.17 -0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -10.024 0.000 -0.000) 10.024 1.280 ( -7.374 0.000 -0.000) 7.374 1.498 ( -28.854 0.000 -0.000) 28.854 1.584 ( -18.956 0.000 -0.000) 18.956 1.875 ( -0.187 0.000 -0.000) 0.187 2.391 ( -9.312 0.000 -0.000) 9.312 2.457 ( -46.863 0.000 -0.000) 46.863 2.733 ( 0.041 -0.000 0.000) 0.041 2.797 ( 7.047 -0.000 0.000) 7.047 3.135 ( -23.736 0.000 -0.000) 23.736 3.148 ( -8.156 0.000 -0.000) 8.156 3.197 ( -8.332 0.000 -0.000) 8.332 3.501 ( -11.918 0.000 -0.000) 11.918 4.080 ( -6.321 0.000 -0.000) 6.321 4.147 ( -12.614 0.000 -0.000) 12.614 4.401 ( 4.733 -0.000 0.000) 4.733 4.656 ( -9.473 0.000 -0.000) 9.473 4.975 ( 11.397 -0.000 0.000) 11.397 4.994 ( -1.815 0.000 -0.000) 1.815 5.390 ( -2.895 0.000 -0.000) 2.895 5.572 ( 0.005 -0.000 0.000) 0.005 6.125 ( 2.457 -0.000 0.000) 2.457 6.126 ( 2.765 -0.000 0.000) 2.765 6.134 ( 6.629 -0.000 0.000) 6.629 6.144 ( 11.564 -0.000 0.000) 11.564 7.362 ( 15.359 -0.000 0.000) 15.359 7.421 ( 2.960 -0.000 0.000) 2.960 7.766 ( -9.272 0.000 -0.000) 9.272 7.887 ( 8.199 -0.000 0.000) 8.199 7.947 ( 10.017 -0.000 0.000) 10.017 8.429 ( 0.899 -0.000 0.000) 0.899 8.814 ( -3.055 0.000 -0.000) 3.055 8.905 ( 15.486 -0.000 0.000) 15.486 9.146 ( -8.997 0.000 -0.000) 8.997 9.315 ( -2.300 0.000 -0.000) 2.300 9.407 ( 10.235 -0.000 0.000) 10.235 9.454 ( -8.083 0.000 -0.000) 8.083 9.539 ( 15.353 -0.000 0.000) 15.353 9.673 ( -15.533 0.000 -0.000) 15.533 9.989 ( 4.004 -0.000 0.000) 4.004 10.070 ( -1.105 0.000 -0.000) 1.105 10.574 ( -1.796 0.000 -0.000) 1.796 10.765 ( 3.330 -0.000 0.000) 3.330 10.922 ( -7.971 0.000 -0.000) 7.971 11.449 ( 17.404 -0.000 0.000) 17.404 11.615 ( -3.105 0.000 -0.000) 3.105 12.175 ( 11.479 -0.000 0.000) 11.479 12.215 ( -1.676 0.000 -0.000) 1.676 12.672 ( -3.514 0.000 -0.000) 3.514 12.747 ( 9.431 -0.000 0.000) 9.431 12.959 ( 2.105 -0.000 0.000) 2.105 14.037 ( 2.053 -0.000 0.000) 2.053 14.532 ( -18.449 0.000 -0.000) 18.449 14.960 ( -5.919 0.000 -0.000) 5.919 16.569 ( 1.824 -0.000 0.000) 1.824 16.836 ( 21.976 -0.000 0.000) 21.976 16.898 ( 1.009 -0.000 0.000) 1.009 17.640 ( -0.449 0.000 -0.000) 0.449 17.937 ( 0.503 -0.000 0.000) 0.503 18.863 ( 14.416 -0.000 0.000) 14.416 20.009 ( -10.143 0.000 -0.000) 10.143 20.054 ( -0.432 0.000 -0.000) 0.432 20.556 ( -3.360 0.000 -0.000) 3.360 20.782 ( -10.893 0.000 -0.000) 10.893 21.524 ( 2.816 -0.000 0.000) 2.816 21.545 ( -2.610 0.000 -0.000) 2.610 ======================= Grid point 76 (55/75) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.000 21.028 -0.000) 21.028 1.160 ( -0.000 4.191 -0.000) 4.191 1.344 ( -0.000 30.684 -0.000) 30.684 1.656 ( -0.000 22.954 -0.000) 22.954 2.018 ( -0.000 46.219 -0.000) 46.219 2.234 ( -0.000 11.701 -0.000) 11.701 2.398 ( -0.000 8.913 -0.000) 8.913 2.512 ( 0.000 -8.497 0.000) 8.497 2.650 ( -0.000 9.388 -0.000) 9.388 2.745 ( 0.000 -3.911 0.000) 3.911 3.078 ( -0.000 10.453 -0.000) 10.453 3.218 ( -0.000 8.159 -0.000) 8.159 3.630 ( -0.000 18.765 -0.000) 18.765 3.798 ( -0.000 0.497 -0.000) 0.497 3.807 ( 0.000 -1.737 0.000) 1.737 4.540 ( -0.000 3.206 -0.000) 3.206 4.694 ( -0.000 6.397 -0.000) 6.397 5.133 ( -0.000 11.556 -0.000) 11.556 5.150 ( 0.000 -7.353 0.000) 7.353 5.580 ( -0.000 6.874 -0.000) 6.874 5.816 ( 0.000 -2.347 0.000) 2.347 6.006 ( 0.000 -8.489 0.000) 8.489 6.054 ( 0.000 -8.767 0.000) 8.767 6.565 ( -0.000 11.660 -0.000) 11.660 6.711 ( 0.000 -9.106 0.000) 9.106 7.226 ( 0.000 -9.720 0.000) 9.720 7.496 ( 0.000 -12.915 0.000) 12.915 7.530 ( 0.000 -20.310 0.000) 20.310 7.666 ( 0.000 -7.579 0.000) 7.579 7.938 ( 0.000 -3.927 0.000) 3.927 8.391 ( -0.000 21.946 -0.000) 21.946 8.762 ( 0.000 -7.470 0.000) 7.470 8.873 ( -0.000 10.035 -0.000) 10.035 9.040 ( 0.000 -7.530 0.000) 7.530 9.123 ( 0.000 -2.874 0.000) 2.874 9.435 ( -0.000 2.786 -0.000) 2.786 9.746 ( -0.000 1.798 -0.000) 1.798 9.770 ( 0.000 -5.522 0.000) 5.522 10.099 ( -0.000 0.618 -0.000) 0.618 10.195 ( -0.000 5.397 -0.000) 5.397 10.550 ( 0.000 -0.589 0.000) 0.589 10.628 ( -0.000 5.290 -0.000) 5.290 10.629 ( 0.000 -7.692 0.000) 7.692 10.781 ( 0.000 -5.192 0.000) 5.192 11.348 ( -0.000 5.384 -0.000) 5.384 11.744 ( 0.000 -6.332 0.000) 6.332 11.896 ( 0.000 -12.045 0.000) 12.045 11.990 ( -0.000 0.915 -0.000) 0.915 12.209 ( 0.000 -14.686 0.000) 14.686 12.463 ( 0.000 -0.944 0.000) 0.944 12.946 ( -0.000 0.253 -0.000) 0.253 13.391 ( -0.000 12.501 -0.000) 12.501 14.347 ( -0.000 17.948 -0.000) 17.948 15.024 ( -0.000 7.577 -0.000) 7.577 16.025 ( -0.000 15.111 -0.000) 15.111 16.319 ( 0.000 -24.112 0.000) 24.112 17.521 ( 0.000 -19.949 0.000) 19.949 17.816 ( -0.000 4.282 -0.000) 4.282 18.142 ( 0.000 -15.514 0.000) 15.514 18.539 ( 0.000 -8.450 0.000) 8.450 19.744 ( -0.000 7.629 -0.000) 7.629 20.167 ( -0.000 5.208 -0.000) 5.208 20.620 ( -0.000 4.308 -0.000) 4.308 21.527 ( -0.000 1.321 -0.000) 1.321 21.575 ( -0.000 1.634 -0.000) 1.634 21.700 ( -0.000 3.947 -0.000) 3.947 ======================= Grid point 79 (56/75) ======================= q-point: (-0.30 -0.20 0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -0.000 3.325 0.000) 3.325 1.381 ( -0.000 -4.750 0.000) 4.750 2.168 ( -0.000 11.635 0.000) 11.635 2.275 ( -0.000 7.038 0.000) 7.038 2.356 ( 0.000 -5.566 -0.000) 5.566 2.390 ( -0.000 -3.604 0.000) 3.604 2.555 ( 0.000 -3.237 -0.000) 3.237 2.563 ( -0.000 -4.463 0.000) 4.463 3.289 ( -0.000 5.678 0.000) 5.678 3.306 ( -0.000 6.605 0.000) 6.605 3.614 ( -0.000 4.128 0.000) 4.128 3.805 ( 0.000 -14.690 0.000) 14.690 4.028 ( -0.000 18.070 0.000) 18.070 4.217 ( 0.000 -5.604 0.000) 5.604 4.427 ( -0.000 1.061 -0.000) 1.061 4.608 ( -0.000 -7.638 0.000) 7.638 4.799 ( 0.000 -4.979 -0.000) 4.979 4.895 ( -0.000 -7.710 0.000) 7.710 4.968 ( 0.000 3.072 0.000) 3.072 4.993 ( -0.000 0.809 0.000) 0.809 5.671 ( -0.000 5.585 0.000) 5.585 5.782 ( -0.000 -5.123 -0.000) 5.123 6.210 ( 0.000 9.260 0.000) 9.260 6.292 ( -0.000 1.167 0.000) 1.167 6.712 ( -0.000 1.136 0.000) 1.136 6.782 ( 0.000 -1.096 -0.000) 1.096 7.057 ( -0.000 10.929 0.000) 10.929 7.394 ( -0.000 -20.637 -0.000) 20.637 7.811 ( -0.000 3.289 0.000) 3.289 7.833 ( 0.000 0.877 0.000) 0.877 8.305 ( -0.000 -0.074 0.000) 0.074 8.322 ( -0.000 -1.666 0.000) 1.666 8.836 ( -0.000 8.640 0.000) 8.640 9.023 ( -0.000 -11.118 0.000) 11.118 9.244 ( -0.000 7.752 0.000) 7.752 9.386 ( -0.000 -6.276 0.000) 6.276 9.590 ( -0.000 15.304 0.000) 15.304 9.722 ( 0.000 -5.327 -0.000) 5.327 9.753 ( -0.000 2.631 0.000) 2.631 9.928 ( -0.000 -7.021 0.000) 7.021 10.255 ( -0.000 5.922 -0.000) 5.922 10.406 ( -0.000 -7.543 0.000) 7.543 11.091 ( -0.000 1.942 0.000) 1.942 11.124 ( 0.000 -1.566 0.000) 1.566 11.270 ( -0.000 3.098 -0.000) 3.098 11.327 ( -0.000 -2.697 0.000) 2.697 11.937 ( -0.000 4.860 0.000) 4.860 12.027 ( -0.000 -4.520 0.000) 4.520 12.810 ( 0.000 0.148 0.000) 0.148 12.811 ( -0.000 0.111 -0.000) 0.111 12.925 ( -0.000 9.005 0.000) 9.005 13.121 ( -0.000 -11.511 0.000) 11.511 15.122 ( -0.000 6.450 0.000) 6.450 15.277 ( -0.000 -9.985 0.000) 9.985 16.142 ( -0.000 23.932 0.000) 23.932 16.396 ( -0.000 5.392 -0.000) 5.392 16.889 ( -0.000 -17.269 -0.000) 17.269 16.904 ( -0.000 -10.880 0.000) 10.880 18.293 ( -0.000 3.071 0.000) 3.071 18.313 ( 0.000 0.510 -0.000) 0.510 20.124 ( -0.000 8.002 0.000) 8.002 20.271 ( -0.000 -7.188 0.000) 7.188 20.974 ( -0.000 10.074 0.000) 10.074 21.173 ( -0.000 -10.510 0.000) 10.510 21.577 ( -0.000 1.903 0.000) 1.903 21.613 ( -0.000 -1.783 0.000) 1.783 ======================= Grid point 83 (57/75) ======================= q-point: ( 0.38 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -0.000 2.267 3.333) 4.031 1.462 ( -0.000 14.022 2.448) 14.234 1.903 ( -0.000 20.981 4.641) 21.488 2.014 ( -0.000 19.002 -4.869) 19.616 2.283 ( 0.000 -2.351 -8.772) 9.081 2.337 ( -0.000 6.933 -3.280) 7.670 2.612 ( 0.000 -4.464 -4.019) 6.007 2.620 ( -0.000 5.101 3.982) 6.471 2.802 ( -0.000 2.129 1.604) 2.666 2.876 ( -0.000 11.570 0.041) 11.570 3.182 ( -0.000 23.350 14.992) 27.749 3.595 ( -0.000 15.369 -14.535) 21.154 3.707 ( 0.000 -3.817 -2.337) 4.475 3.843 ( -0.000 11.092 10.097) 14.999 4.285 ( -0.000 11.917 19.390) 22.760 4.509 ( -0.000 6.690 -8.297) 10.658 4.973 ( -0.000 6.020 8.846) 10.700 5.026 ( 0.000 -9.125 4.831) 10.325 5.401 ( -0.000 11.614 4.602) 12.493 5.656 ( -0.000 1.174 -5.432) 5.557 5.706 ( 0.000 -1.555 -1.289) 2.020 5.767 ( 0.000 -10.559 -5.153) 11.749 5.869 ( 0.000 -7.196 -2.379) 7.579 6.339 ( 0.000 -9.535 -15.107) 17.864 6.821 ( -0.000 10.673 -0.047) 10.673 7.055 ( 0.000 -9.319 0.991) 9.372 7.093 ( 0.000 -17.572 -2.643) 17.770 7.262 ( 0.000 -13.714 3.992) 14.283 7.568 ( 0.000 -3.246 3.329) 4.650 7.884 ( 0.000 -5.953 3.187) 6.752 8.569 ( 0.000 -9.114 -0.488) 9.127 8.845 ( -0.000 26.912 -4.749) 27.327 8.878 ( 0.000 -7.158 2.152) 7.474 9.053 ( 0.000 -2.819 1.555) 3.220 9.062 ( 0.000 -1.548 -1.962) 2.499 9.398 ( -0.000 2.620 -5.262) 5.878 9.703 ( 0.000 -0.923 0.856) 1.259 9.819 ( 0.000 0.200 3.414) 3.420 10.052 ( -0.000 -0.036 -4.711) 4.711 10.222 ( -0.000 1.089 -5.920) 6.020 10.436 ( 0.000 -2.720 -0.272) 2.734 10.588 ( 0.000 -0.621 -0.144) 0.638 10.800 ( 0.000 -2.859 8.967) 9.412 10.858 ( -0.000 6.303 10.795) 12.500 11.224 ( -0.000 8.577 -23.992) 25.479 11.466 ( 0.000 -1.368 -4.460) 4.665 11.639 ( 0.000 -16.762 3.192) 17.063 11.856 ( 0.000 -6.210 -3.651) 7.204 12.295 ( 0.000 -6.080 11.977) 13.432 12.509 ( 0.000 -4.275 8.011) 9.080 12.954 ( -0.000 0.103 0.409) 0.422 13.601 ( -0.000 8.235 -0.123) 8.236 14.538 ( -0.000 16.490 -13.699) 21.438 15.314 ( -0.000 7.978 11.178) 13.733 15.957 ( 0.000 -20.782 6.836) 21.878 16.369 ( -0.000 17.525 -1.700) 17.607 17.052 ( 0.000 -19.413 -3.318) 19.694 17.521 ( -0.000 3.471 -18.909) 19.225 18.085 ( 0.000 -9.072 6.809) 11.343 18.378 ( 0.000 -11.518 3.369) 12.001 19.897 ( -0.000 5.343 2.584) 5.935 20.259 ( -0.000 3.899 -0.216) 3.905 20.647 ( -0.000 4.593 -3.865) 6.003 21.524 ( -0.000 1.955 -5.460) 5.800 21.564 ( -0.000 2.215 1.197) 2.518 21.906 ( 0.000 -0.451 8.760) 8.772 ======================= Grid point 84 (58/75) ======================= q-point: ( 0.22 -0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.013 1.941 -0.000) 1.941 1.423 ( -1.060 14.073 -0.000) 14.112 1.832 ( -0.153 23.945 -0.000) 23.946 2.025 ( -1.504 18.039 -0.000) 18.102 2.316 ( -2.821 3.089 -0.000) 4.183 2.525 ( -5.007 -4.002 -0.000) 6.410 2.614 ( 14.201 0.989 0.000) 14.235 2.673 ( -4.896 1.991 -0.000) 5.285 2.803 ( 13.526 0.375 0.000) 13.531 3.010 ( 14.671 18.583 -0.000) 23.676 3.342 ( -2.999 13.132 -0.000) 13.470 3.426 ( 6.618 10.419 -0.000) 12.343 3.914 ( 2.927 12.045 -0.000) 12.396 3.938 ( 15.168 -1.082 0.000) 15.206 4.071 ( 2.801 23.965 -0.000) 24.128 4.654 ( 0.102 7.518 -0.000) 7.519 4.801 ( -3.743 0.861 -0.000) 3.841 4.867 ( -6.350 -8.188 0.000) 10.361 5.295 ( -3.712 9.267 -0.000) 9.983 5.619 ( -9.620 -10.791 0.000) 14.456 5.664 ( -3.532 5.035 -0.000) 6.151 5.831 ( -4.476 -7.772 0.000) 8.969 5.954 ( 9.397 -1.734 0.000) 9.556 6.420 ( -6.050 -6.758 0.000) 9.070 6.762 ( -5.496 10.683 -0.000) 12.014 6.834 ( -14.670 -16.593 0.000) 22.148 7.217 ( 5.686 -17.148 0.000) 18.066 7.230 ( 1.150 -5.471 0.000) 5.591 7.689 ( 11.695 -5.340 0.000) 12.856 7.913 ( 3.654 -9.521 0.000) 10.199 8.585 ( 2.210 -13.367 0.000) 13.549 8.845 ( -3.475 -4.841 0.000) 5.959 8.882 ( -6.248 -0.644 -0.000) 6.281 8.886 ( -1.468 28.259 -0.000) 28.297 9.168 ( 4.582 -3.692 0.000) 5.885 9.474 ( -1.284 2.370 -0.000) 2.695 9.643 ( -4.502 -2.114 -0.000) 4.974 9.758 ( 0.201 -0.101 0.000) 0.225 10.126 ( 0.383 3.581 -0.000) 3.602 10.156 ( -11.476 5.530 -0.000) 12.738 10.351 ( -11.666 7.734 -0.000) 13.996 10.490 ( -1.003 -7.066 0.000) 7.137 10.706 ( 2.539 -3.369 0.000) 4.219 10.744 ( 0.586 3.455 -0.000) 3.504 11.470 ( -0.499 2.181 -0.000) 2.238 11.519 ( -2.646 -7.723 0.000) 8.164 11.779 ( 7.918 -11.488 0.000) 13.953 12.020 ( 7.538 -11.782 0.000) 13.987 12.358 ( 8.196 -6.208 0.000) 10.282 12.386 ( 12.697 -3.361 0.000) 13.135 12.919 ( -2.831 0.646 -0.000) 2.904 13.612 ( 0.870 10.019 -0.000) 10.057 14.832 ( 8.662 22.076 -0.000) 23.714 15.184 ( 3.081 2.113 0.000) 3.736 15.842 ( -3.555 -21.446 0.000) 21.739 16.325 ( -5.023 23.054 -0.000) 23.595 17.142 ( 4.156 -24.071 0.000) 24.427 17.855 ( -1.578 -9.137 0.000) 9.272 17.939 ( 5.643 3.316 0.000) 6.545 18.310 ( -2.611 -13.053 0.000) 13.312 19.903 ( 3.336 4.043 -0.000) 5.242 20.245 ( -1.455 4.460 -0.000) 4.692 20.717 ( 1.274 2.780 -0.000) 3.058 21.473 ( -10.303 4.427 -0.000) 11.214 21.539 ( -1.770 0.831 -0.000) 1.956 21.739 ( -3.003 3.505 -0.000) 4.616 ======================= Grid point 89 (59/75) ======================= q-point: (-0.43 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -0.000 0.704 1.880) 2.007 1.667 ( -0.000 7.235 -2.365) 7.612 1.964 ( 0.000 -4.466 -11.920) 12.729 2.101 ( -0.000 8.237 -11.450) 14.105 2.361 ( -0.000 15.479 1.056) 15.515 2.373 ( -0.000 0.037 -4.721) 4.721 2.493 ( -0.000 3.121 1.425) 3.430 2.639 ( 0.000 -2.923 -3.748) 4.753 2.791 ( 0.000 -5.094 0.673) 5.139 2.900 ( 0.000 -1.835 -3.348) 3.818 3.603 ( -0.000 24.279 -18.144) 30.310 3.691 ( -0.000 2.079 3.248) 3.856 3.782 ( -0.000 0.012 -6.604) 6.604 4.099 ( -0.000 14.301 14.588) 20.428 4.527 ( -0.000 12.420 -6.877) 14.197 4.641 ( 0.000 -14.309 1.639) 14.403 4.885 ( 0.000 -17.495 -3.257) 17.796 5.047 ( 0.000 -9.921 -1.410) 10.021 5.433 ( 0.000 -6.683 -8.834) 11.077 5.541 ( -0.000 6.706 5.685) 8.791 5.730 ( -0.000 5.915 7.338) 9.426 5.767 ( -0.000 0.721 1.923) 2.054 5.791 ( -0.000 7.804 -4.570) 9.044 6.011 ( -0.000 3.690 -0.881) 3.794 6.601 ( 0.000 -12.790 -6.549) 14.369 6.972 ( 0.000 -5.035 4.262) 6.596 7.077 ( -0.000 1.203 4.598) 4.753 7.192 ( 0.000 -7.490 8.514) 11.340 7.768 ( -0.000 9.721 8.209) 12.723 7.845 ( 0.000 -5.468 3.951) 6.746 8.394 ( 0.000 -11.258 2.068) 11.446 8.854 ( 0.000 -9.260 1.275) 9.347 8.902 ( -0.000 4.271 -17.049) 17.575 8.903 ( 0.000 -4.134 3.309) 5.295 9.059 ( -0.000 3.068 1.728) 3.521 9.535 ( -0.000 17.035 -1.735) 17.123 9.743 ( -0.000 5.183 -3.352) 6.172 9.870 ( 0.000 -1.036 2.259) 2.485 9.951 ( 0.000 -4.401 0.197) 4.405 10.091 ( 0.000 -1.952 -4.505) 4.909 10.438 ( 0.000 -0.544 1.563) 1.655 10.533 ( 0.000 -2.493 -2.257) 3.362 10.898 ( -0.000 8.203 -20.028) 21.643 10.918 ( 0.000 -3.125 5.055) 5.943 11.184 ( 0.000 -3.203 -8.800) 9.365 11.287 ( 0.000 1.833 11.091) 11.241 11.547 ( 0.000 -8.255 13.604) 15.913 11.791 ( -0.000 0.664 -0.694) 0.961 12.431 ( 0.000 -1.112 9.183) 9.250 12.590 ( 0.000 -4.071 6.794) 7.921 12.964 ( 0.000 -0.167 0.511) 0.538 13.683 ( -0.000 4.094 -2.843) 4.984 14.458 ( -0.000 8.923 -15.912) 18.243 15.615 ( -0.000 7.279 1.023) 7.350 15.851 ( 0.000 -11.666 12.352) 16.990 16.109 ( 0.000 -16.867 -12.386) 20.926 17.214 ( -0.000 17.298 10.794) 20.390 17.289 ( -0.000 5.587 -12.194) 13.413 18.057 ( 0.000 -5.744 5.376) 7.867 18.255 ( 0.000 -12.261 6.781) 14.011 20.020 ( -0.000 3.549 0.065) 3.550 20.286 ( -0.000 1.397 -2.011) 2.449 20.642 ( -0.000 1.939 -3.023) 3.591 21.431 ( -0.000 0.615 -4.723) 4.763 21.668 ( -0.000 4.701 1.903) 5.071 22.007 ( 0.000 -3.235 4.832) 5.815 ======================= Grid point 91 (60/75) ======================= q-point: ( 0.40 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -0.881 0.942 2.950) 3.220 1.644 ( -4.278 9.080 -0.930) 10.080 2.165 ( 0.872 9.858 -0.114) 9.897 2.219 ( 1.763 2.712 -3.537) 4.794 2.353 ( -5.241 -0.410 -2.995) 6.051 2.419 ( -0.035 5.899 -0.203) 5.903 2.621 ( 1.704 2.057 -2.518) 3.670 2.691 ( 2.555 -3.588 -6.080) 7.508 2.797 ( 3.432 -3.471 3.527) 6.022 3.090 ( 7.410 6.313 -5.793) 11.328 3.632 ( 0.317 16.828 9.967) 19.561 3.872 ( 17.168 -1.276 -0.647) 17.228 3.910 ( 4.426 2.122 3.631) 6.106 4.089 ( 3.722 16.914 -4.821) 17.977 4.394 ( -5.193 4.731 5.794) 9.106 4.607 ( -6.971 2.796 -7.053) 10.303 4.892 ( -1.403 -2.639 -0.028) 2.989 4.942 ( -3.224 5.743 4.003) 7.707 5.366 ( -11.703 -7.859 -1.513) 14.178 5.479 ( -3.902 4.055 -0.366) 5.639 5.649 ( -7.342 -3.746 -1.917) 8.463 5.775 ( 3.156 -5.089 0.429) 6.004 5.889 ( 7.110 2.769 4.006) 8.618 6.243 ( 4.846 1.444 -11.043) 12.145 6.635 ( -15.511 -10.162 7.043) 19.836 6.829 ( 9.049 -13.522 -5.807) 17.275 6.889 ( -9.576 0.258 3.358) 10.151 7.236 ( 10.105 -1.178 2.901) 10.579 7.715 ( 9.803 6.226 4.306) 12.386 7.766 ( -1.250 -6.263 1.162) 6.491 8.346 ( 1.708 -13.687 2.671) 14.049 8.800 ( 2.512 -2.329 3.218) 4.701 8.831 ( -11.455 -2.783 -1.971) 11.952 9.073 ( 1.836 -3.781 -2.410) 4.845 9.156 ( -7.075 7.881 -14.602) 18.039 9.559 ( -0.112 13.187 1.623) 13.287 9.658 ( -3.335 1.016 3.768) 5.134 9.821 ( -0.400 0.273 3.085) 3.123 10.029 ( -3.063 0.025 -12.094) 12.476 10.245 ( 0.148 4.161 -1.090) 4.304 10.310 ( -6.916 -2.494 -2.554) 7.783 10.474 ( -5.732 2.724 -2.047) 6.668 10.778 ( 2.706 -0.642 8.697) 9.130 10.972 ( -3.087 -0.324 15.688) 15.993 11.284 ( 4.310 -3.054 -6.852) 8.652 11.442 ( 0.791 -3.579 -6.053) 7.076 11.543 ( 12.342 -2.625 -4.809) 13.503 11.824 ( 4.637 -6.948 1.547) 8.495 12.385 ( 11.380 -1.616 4.025) 12.179 12.405 ( -0.249 -3.681 9.169) 9.884 12.933 ( -2.152 0.328 0.349) 2.205 13.735 ( 0.758 5.310 -2.395) 5.874 14.900 ( 6.571 9.788 -16.304) 20.119 15.498 ( 1.334 10.484 9.247) 14.043 15.597 ( -3.678 -11.358 7.192) 13.938 16.446 ( 3.583 -14.498 -13.937) 20.427 16.944 ( -3.506 12.389 9.912) 16.249 17.581 ( 3.043 1.557 -10.936) 11.458 18.025 ( 5.533 -2.806 2.679) 6.757 18.101 ( -2.383 -14.103 5.123) 15.193 19.995 ( 1.574 1.984 2.474) 3.541 20.318 ( 0.012 2.825 0.284) 2.839 20.726 ( 0.594 1.713 -2.566) 3.142 21.488 ( -6.317 1.577 -4.659) 8.006 21.577 ( -2.552 1.471 3.126) 4.295 21.840 ( -4.785 0.390 3.860) 6.160 ======================= Grid point 92 (61/75) ======================= q-point: ( 0.23 -0.23 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -2.323 -0.245 -0.000) 2.336 1.545 ( -5.832 6.964 -0.000) 9.083 2.140 ( -6.407 -6.799 0.000) 9.343 2.201 ( -3.455 2.311 -0.000) 4.157 2.298 ( -2.250 17.308 -0.000) 17.454 2.322 ( -8.156 4.981 -0.000) 9.556 2.584 ( -2.160 2.058 -0.000) 2.984 2.867 ( 8.323 -7.585 0.000) 11.260 2.999 ( 9.511 -5.362 0.000) 10.918 3.251 ( 2.233 2.831 -0.000) 3.605 3.595 ( 0.909 7.911 -0.000) 7.963 3.647 ( -5.541 10.707 -0.000) 12.056 4.271 ( -14.562 8.974 -0.000) 17.105 4.296 ( -17.939 -3.534 -0.000) 18.284 4.326 ( 16.422 0.978 0.000) 16.451 4.344 ( 9.628 2.420 0.000) 9.927 4.860 ( 1.498 -0.315 0.000) 1.531 4.993 ( 1.651 -11.679 0.000) 11.795 5.159 ( -0.219 15.558 -0.000) 15.559 5.344 ( -18.993 -4.881 -0.000) 19.610 5.479 ( 1.983 10.633 -0.000) 10.817 5.839 ( 0.779 1.977 -0.000) 2.125 5.961 ( 5.816 -17.550 0.000) 18.488 6.177 ( -17.253 -8.657 -0.000) 19.303 6.547 ( 12.242 12.433 -0.000) 17.449 6.566 ( -13.576 -5.043 -0.000) 14.483 7.152 ( 11.236 -9.964 0.000) 15.017 7.403 ( 9.577 5.838 0.000) 11.216 7.758 ( 0.952 -8.641 0.000) 8.693 7.970 ( 13.380 5.298 0.000) 14.391 8.422 ( 8.833 -14.779 0.000) 17.218 8.491 ( -17.714 -5.099 -0.000) 18.434 8.904 ( 9.081 -1.247 0.000) 9.166 9.152 ( 3.208 -4.787 0.000) 5.763 9.188 ( -10.325 14.025 -0.000) 17.416 9.459 ( -4.130 1.987 -0.000) 4.583 9.499 ( -5.761 -0.665 -0.000) 5.799 9.781 ( -0.742 1.990 -0.000) 2.124 9.998 ( -9.415 0.533 -0.000) 9.430 10.181 ( -3.263 1.747 -0.000) 3.701 10.275 ( -10.586 0.850 -0.000) 10.620 10.441 ( 2.840 11.553 -0.000) 11.897 10.726 ( -0.989 -3.188 0.000) 3.338 10.768 ( 7.800 -2.314 0.000) 8.136 11.400 ( -7.120 -1.116 -0.000) 7.207 11.518 ( 7.275 1.399 0.000) 7.409 11.746 ( 7.392 -8.850 0.000) 11.531 12.149 ( 17.212 -4.647 0.000) 17.828 12.244 ( -1.669 -1.828 0.000) 2.475 12.676 ( 13.330 -4.891 0.000) 14.199 12.865 ( -2.654 0.178 -0.000) 2.660 13.807 ( 2.427 7.145 -0.000) 7.546 15.154 ( -5.673 -2.267 -0.000) 6.109 15.380 ( -4.212 -10.296 0.000) 11.124 15.542 ( 11.564 22.398 -0.000) 25.207 16.676 ( -3.255 22.252 -0.000) 22.488 16.807 ( 7.935 -25.855 0.000) 27.045 17.764 ( 1.280 -2.086 0.000) 2.448 17.980 ( -2.767 -13.063 0.000) 13.352 18.197 ( 11.967 3.426 0.000) 12.448 20.017 ( 2.422 1.231 0.000) 2.717 20.264 ( -3.514 2.979 -0.000) 4.607 20.732 ( -1.355 -1.494 0.000) 2.017 21.306 ( -12.532 3.357 -0.000) 12.974 21.497 ( -1.469 -0.753 -0.000) 1.651 21.704 ( -4.672 1.832 -0.000) 5.018 ======================= Grid point 96 (62/75) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -0.000 0.000 -2.062) 2.062 1.570 ( -0.000 0.000 -20.152) 20.152 1.644 ( -0.000 0.000 -5.574) 5.574 1.844 ( -0.000 0.000 -21.256) 21.256 2.182 ( -0.000 0.000 -9.010) 9.010 2.396 ( -0.000 0.000 -6.677) 6.677 2.603 ( -0.000 0.000 -4.082) 4.082 2.642 ( -0.000 0.000 -7.322) 7.322 2.728 ( 0.000 -0.000 3.663) 3.663 2.796 ( 0.000 -0.000 7.920) 7.920 3.460 ( -0.000 0.000 -9.221) 9.221 3.631 ( -0.000 0.000 -27.283) 27.283 3.821 ( 0.000 -0.000 4.023) 4.023 3.884 ( -0.000 0.000 -21.967) 21.967 4.373 ( -0.000 0.000 -16.571) 16.571 4.662 ( -0.000 0.000 -7.186) 7.186 4.663 ( -0.000 0.000 -4.943) 4.943 4.829 ( 0.000 -0.000 24.477) 24.477 5.191 ( -0.000 0.000 -8.507) 8.507 5.839 ( 0.000 -0.000 1.935) 1.935 5.845 ( 0.000 -0.000 5.761) 5.761 5.963 ( 0.000 -0.000 16.155) 16.155 5.978 ( 0.000 -0.000 7.884) 7.884 6.116 ( -0.000 0.000 -3.525) 3.525 6.267 ( -0.000 0.000 -8.565) 8.565 7.049 ( 0.000 -0.000 7.516) 7.516 7.242 ( 0.000 -0.000 10.212) 10.212 7.310 ( 0.000 -0.000 8.697) 8.697 7.876 ( 0.000 -0.000 4.473) 4.473 8.090 ( 0.000 -0.000 4.582) 4.582 8.279 ( 0.000 -0.000 2.490) 2.490 8.578 ( -0.000 0.000 -16.074) 16.074 8.711 ( 0.000 -0.000 4.366) 4.366 9.045 ( 0.000 -0.000 7.135) 7.135 9.164 ( 0.000 -0.000 5.000) 5.000 9.707 ( -0.000 0.000 -8.402) 8.402 9.710 ( -0.000 0.000 -4.280) 4.280 9.805 ( -0.000 0.000 -2.074) 2.074 9.930 ( 0.000 -0.000 2.588) 2.588 9.997 ( 0.000 -0.000 0.884) 0.884 10.448 ( 0.000 -0.000 1.779) 1.779 10.493 ( 0.000 -0.000 1.063) 1.063 10.612 ( -0.000 0.000 -18.148) 18.148 10.864 ( -0.000 0.000 -9.497) 9.497 10.969 ( 0.000 -0.000 3.326) 3.326 11.634 ( 0.000 -0.000 13.979) 13.979 11.739 ( -0.000 0.000 -4.693) 4.693 11.792 ( 0.000 -0.000 13.177) 13.177 12.638 ( 0.000 -0.000 9.823) 9.823 12.639 ( 0.000 -0.000 1.879) 1.879 12.967 ( 0.000 -0.000 0.211) 0.211 13.652 ( -0.000 0.000 -3.494) 3.494 14.235 ( -0.000 0.000 -12.336) 12.336 15.445 ( -0.000 0.000 -17.049) 17.049 15.853 ( 0.000 -0.000 0.492) 0.492 16.016 ( 0.000 -0.000 13.800) 13.800 17.160 ( -0.000 0.000 -7.378) 7.378 17.643 ( 0.000 -0.000 9.015) 9.015 18.145 ( 0.000 -0.000 8.627) 8.627 18.282 ( 0.000 -0.000 9.447) 9.447 19.985 ( -0.000 0.000 -7.020) 7.020 20.236 ( -0.000 0.000 -3.621) 3.621 20.589 ( -0.000 0.000 -3.060) 3.060 21.393 ( 0.000 -0.000 0.508) 0.508 21.750 ( -0.000 0.000 -0.791) 0.791 22.051 ( 0.000 -0.000 4.234) 4.234 ======================= Grid point 97 (63/75) ======================= q-point: (-0.42 -0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -1.243 -0.000 1.445) 1.906 1.686 ( -4.686 0.000 -3.401) 5.790 2.109 ( -5.555 0.000 -8.054) 9.784 2.112 ( 14.864 0.000 -10.302) 18.085 2.292 ( -5.485 0.000 -7.450) 9.251 2.518 ( -1.422 -0.000 5.565) 5.744 2.581 ( -0.281 0.000 -4.583) 4.592 2.615 ( 0.914 -0.000 3.039) 3.173 2.706 ( 5.499 0.000 -4.281) 6.969 3.067 ( 13.110 0.000 -4.556) 13.879 3.663 ( -2.258 0.000 -12.340) 12.545 3.900 ( 15.370 -0.000 4.153) 15.921 4.120 ( 1.335 0.000 -17.668) 17.718 4.249 ( -3.654 -0.000 23.162) 23.448 4.381 ( 2.344 0.000 -16.595) 16.760 4.496 ( -9.546 0.000 -8.216) 12.595 4.776 ( -2.253 -0.000 8.385) 8.682 4.889 ( 8.121 0.000 -9.529) 12.520 5.300 ( -5.230 0.000 -4.677) 7.016 5.523 ( -7.567 -0.000 7.102) 10.377 5.697 ( -4.757 0.000 -1.071) 4.876 5.724 ( -6.474 -0.000 6.321) 9.048 6.049 ( 10.094 0.000 -5.936) 11.710 6.084 ( 1.797 -0.000 6.617) 6.857 6.547 ( 6.497 0.000 -8.021) 10.322 6.759 ( -9.233 -0.000 10.789) 14.201 7.000 ( -6.584 -0.000 7.659) 10.100 7.284 ( 10.900 -0.000 4.189) 11.677 7.753 ( -3.316 -0.000 3.473) 4.802 7.984 ( 5.788 -0.000 7.602) 9.555 8.226 ( 0.888 -0.000 2.655) 2.800 8.713 ( -4.169 0.000 -3.666) 5.551 8.857 ( -6.605 0.000 -15.241) 16.611 8.899 ( 1.536 -0.000 5.109) 5.335 9.023 ( -3.862 -0.000 2.079) 4.386 9.725 ( -8.025 0.000 2.474) 8.397 9.741 ( -4.412 0.000 -9.958) 10.892 9.835 ( -1.599 0.000 0.354) 1.638 9.852 ( 3.388 -0.000 1.453) 3.686 10.190 ( 1.786 0.000 -8.156) 8.349 10.292 ( -6.821 -0.000 2.374) 7.222 10.409 ( -3.407 0.000 -2.635) 4.307 10.901 ( 2.014 -0.000 5.349) 5.715 11.132 ( 9.045 0.000 -14.615) 17.187 11.147 ( 3.988 0.000 -10.474) 11.208 11.335 ( -5.256 -0.000 18.036) 18.786 11.579 ( 13.969 -0.000 10.630) 17.554 11.815 ( 0.403 -0.000 0.558) 0.688 12.488 ( 5.774 -0.000 7.432) 9.411 12.543 ( 0.303 -0.000 6.943) 6.950 12.942 ( -1.893 0.000 0.223) 1.906 13.702 ( -1.714 0.000 -5.746) 5.996 14.669 ( 9.691 0.000 -13.889) 16.935 15.652 ( -5.517 -0.000 6.978) 8.896 15.796 ( -0.364 -0.000 3.140) 3.161 15.893 ( 4.729 0.000 -12.132) 13.021 17.264 ( -4.566 0.000 0.131) 4.568 17.515 ( 5.055 -0.000 0.799) 5.118 18.000 ( -0.730 -0.000 4.308) 4.369 18.103 ( 1.789 -0.000 7.773) 7.976 20.036 ( -1.542 0.000 -0.921) 1.797 20.347 ( 3.614 -0.000 -0.966) 3.741 20.682 ( 1.803 0.000 -2.831) 3.357 21.407 ( -2.673 0.000 -3.195) 4.166 21.676 ( -4.164 -0.000 2.976) 5.118 21.900 ( -5.571 -0.000 2.814) 6.241 ======================= Grid point 98 (64/75) ======================= q-point: ( 0.42 -0.25 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -2.861 -0.000 3.024) 4.163 1.604 ( -6.902 0.000 -1.223) 7.010 2.028 ( -8.289 0.000 -1.300) 8.390 2.240 ( -5.515 -0.000 3.701) 6.642 2.303 ( -7.278 0.000 -7.187) 10.229 2.520 ( -7.344 0.000 -1.122) 7.430 2.629 ( 6.656 -0.000 3.185) 7.379 2.754 ( 10.328 0.000 -11.776) 15.663 2.875 ( 5.933 -0.000 7.141) 9.284 3.330 ( 6.986 -0.000 1.912) 7.243 3.754 ( -5.094 -0.000 10.138) 11.346 3.843 ( -9.096 0.000 -15.408) 17.893 4.122 ( -11.121 -0.000 18.434) 21.529 4.239 ( 1.535 -0.000 0.225) 1.551 4.399 ( -0.971 0.000 -9.358) 9.409 4.522 ( 3.129 0.000 -3.616) 4.782 4.689 ( 3.296 0.000 -3.554) 4.847 4.919 ( -11.579 -0.000 8.221) 14.200 5.348 ( -11.019 0.000 2.453) 11.289 5.440 ( 6.853 0.000 -13.370) 15.024 5.567 ( 3.147 -0.000 3.088) 4.409 5.577 ( -1.131 0.000 0.254) 1.159 5.940 ( -1.281 -0.000 8.622) 8.717 6.263 ( -8.325 -0.000 9.711) 12.791 6.397 ( -7.771 0.000 -10.104) 12.747 6.749 ( 6.913 -0.000 5.491) 8.829 6.950 ( 12.734 0.000 -6.394) 14.249 7.496 ( 12.157 -0.000 2.430) 12.397 7.658 ( -0.521 0.000 -0.305) 0.604 8.101 ( 11.152 -0.000 -0.846) 11.184 8.223 ( 4.386 -0.000 2.744) 5.173 8.481 ( -13.601 0.000 3.605) 14.070 8.919 ( 9.351 -0.000 2.160) 9.597 9.015 ( -10.886 0.000 -17.546) 20.648 9.053 ( 2.447 0.000 -3.969) 4.663 9.513 ( -5.823 -0.000 1.996) 6.155 9.735 ( -3.858 -0.000 12.796) 13.365 9.834 ( 0.910 0.000 -1.006) 1.356 9.888 ( -12.334 0.000 -7.431) 14.400 9.959 ( -7.538 0.000 -9.189) 11.885 10.458 ( -0.962 0.000 -6.986) 7.052 10.484 ( 2.262 -0.000 1.764) 2.868 10.810 ( 1.952 -0.000 7.804) 8.044 10.829 ( -0.089 -0.000 12.857) 12.857 11.328 ( -5.354 0.000 -5.105) 7.398 11.538 ( 13.910 -0.000 -2.424) 14.119 11.706 ( -1.263 -0.000 4.882) 5.043 11.920 ( 15.093 0.000 -7.779) 16.980 12.409 ( 4.619 -0.000 9.929) 10.950 12.629 ( 11.603 -0.000 -0.087) 11.603 12.874 ( -3.696 0.000 0.444) 3.723 13.823 ( 1.902 0.000 -5.253) 5.587 15.048 ( -0.718 0.000 -7.108) 7.145 15.338 ( -6.971 -0.000 7.046) 9.912 15.845 ( 10.349 -0.000 -3.000) 10.775 16.287 ( 4.008 0.000 -13.023) 13.626 17.037 ( -3.379 -0.000 8.105) 8.781 17.744 ( 5.405 0.000 -6.178) 8.209 17.834 ( -2.679 -0.000 6.940) 7.439 18.192 ( 10.468 -0.000 -2.548) 10.773 20.018 ( -0.828 0.000 -0.815) 1.162 20.358 ( 0.242 -0.000 4.565) 4.571 20.721 ( -1.596 0.000 0.363) 1.637 21.328 ( -9.427 0.000 -0.463) 9.439 21.519 ( -2.844 -0.000 2.550) 3.820 21.735 ( -5.381 0.000 1.114) 5.495 ======================= Grid point 99 (65/75) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -5.439 0.000 -0.000) 5.439 1.450 ( -8.033 0.000 -0.000) 8.033 1.894 ( -5.010 0.000 -0.000) 5.010 1.965 ( -14.934 0.000 -0.000) 14.934 2.053 ( -19.330 0.000 -0.000) 19.330 2.582 ( -7.600 0.000 -0.000) 7.600 2.666 ( 4.722 -0.000 0.000) 4.722 2.704 ( 2.927 -0.000 0.000) 2.927 3.140 ( 2.854 -0.000 0.000) 2.854 3.290 ( -3.402 0.000 -0.000) 3.402 3.357 ( -27.142 0.000 -0.000) 27.142 3.547 ( -11.760 0.000 -0.000) 11.760 3.797 ( -14.423 0.000 -0.000) 14.423 4.220 ( -6.306 0.000 -0.000) 6.306 4.397 ( -6.788 0.000 -0.000) 6.788 4.467 ( -10.941 0.000 -0.000) 10.941 4.736 ( 10.146 -0.000 0.000) 10.146 4.888 ( -14.143 0.000 -0.000) 14.143 4.950 ( 5.426 -0.000 0.000) 5.426 5.465 ( -3.948 0.000 -0.000) 3.948 5.650 ( -7.046 0.000 -0.000) 7.046 5.829 ( 16.415 -0.000 0.000) 16.415 5.931 ( 11.840 -0.000 0.000) 11.840 6.086 ( 0.569 -0.000 0.000) 0.569 6.187 ( -9.430 0.000 -0.000) 9.430 7.028 ( 15.416 -0.000 0.000) 15.416 7.290 ( 9.424 -0.000 0.000) 9.424 7.688 ( 9.974 -0.000 0.000) 9.974 7.747 ( 7.074 -0.000 0.000) 7.074 8.043 ( -16.158 0.000 -0.000) 16.158 8.320 ( 6.935 -0.000 0.000) 6.935 8.526 ( 18.898 -0.000 0.000) 18.898 9.022 ( -13.634 0.000 -0.000) 13.634 9.171 ( 13.593 -0.000 0.000) 13.593 9.205 ( 7.443 -0.000 0.000) 7.443 9.357 ( -6.007 0.000 -0.000) 6.007 9.388 ( -4.215 0.000 -0.000) 4.215 9.661 ( -11.180 0.000 -0.000) 11.180 9.904 ( 3.564 -0.000 0.000) 3.564 10.023 ( -16.110 0.000 -0.000) 16.110 10.120 ( -3.360 0.000 -0.000) 3.360 10.592 ( -0.068 0.000 -0.000) 0.068 10.707 ( 2.151 -0.000 0.000) 2.151 11.058 ( 17.906 -0.000 0.000) 17.906 11.146 ( -11.778 0.000 -0.000) 11.778 11.655 ( -0.588 0.000 -0.000) 0.588 11.887 ( 14.907 -0.000 0.000) 14.907 12.227 ( 0.209 -0.000 0.000) 0.209 12.480 ( 15.268 -0.000 0.000) 15.268 12.772 ( -4.999 0.000 -0.000) 4.999 12.858 ( 7.534 -0.000 0.000) 7.534 13.968 ( 4.100 -0.000 0.000) 4.100 14.900 ( -14.525 0.000 -0.000) 14.525 15.104 ( -7.198 0.000 -0.000) 7.198 16.340 ( 22.907 -0.000 0.000) 22.907 16.519 ( 2.720 -0.000 0.000) 2.720 16.889 ( -0.405 0.000 -0.000) 0.405 17.669 ( -2.474 0.000 -0.000) 2.474 17.905 ( 2.694 -0.000 0.000) 2.694 18.541 ( 15.123 -0.000 0.000) 15.123 20.056 ( 0.485 -0.000 0.000) 0.485 20.190 ( -6.536 0.000 -0.000) 6.536 20.636 ( -3.884 0.000 -0.000) 3.884 21.050 ( -13.395 0.000 -0.000) 13.395 21.479 ( 0.964 -0.000 0.000) 0.964 21.620 ( -4.287 0.000 -0.000) 4.287 ======================= Grid point 115 (66/75) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -0.000 2.640 -0.000) 2.640 1.433 ( -0.000 16.328 -0.000) 16.328 1.852 ( -0.000 20.755 -0.000) 20.755 2.076 ( -0.000 19.979 -0.000) 19.979 2.393 ( -0.000 7.712 -0.000) 7.712 2.406 ( 0.000 -0.866 0.000) 0.866 2.545 ( -0.000 6.668 -0.000) 6.668 2.612 ( 0.000 -8.991 0.000) 8.991 2.786 ( -0.000 3.907 -0.000) 3.907 2.793 ( -0.000 31.564 -0.000) 31.564 3.324 ( -0.000 14.775 -0.000) 14.775 3.388 ( -0.000 10.497 -0.000) 10.497 3.733 ( 0.000 -5.867 0.000) 5.867 3.884 ( -0.000 7.699 -0.000) 7.699 4.078 ( -0.000 28.062 -0.000) 28.062 4.647 ( -0.000 7.923 -0.000) 7.923 4.831 ( -0.000 7.889 -0.000) 7.889 4.959 ( 0.000 -12.515 0.000) 12.515 5.348 ( -0.000 10.276 -0.000) 10.276 5.685 ( -0.000 4.625 -0.000) 4.625 5.747 ( 0.000 -5.143 0.000) 5.143 5.828 ( 0.000 -9.778 0.000) 9.778 5.893 ( 0.000 -7.550 0.000) 7.550 6.505 ( 0.000 -11.984 0.000) 11.984 6.819 ( -0.000 13.479 -0.000) 13.479 7.037 ( 0.000 -9.693 0.000) 9.693 7.150 ( 0.000 -20.059 0.000) 20.059 7.217 ( 0.000 -15.318 0.000) 15.318 7.523 ( 0.000 -6.281 0.000) 6.281 7.851 ( 0.000 -5.100 0.000) 5.100 8.567 ( 0.000 -13.117 0.000) 13.117 8.856 ( 0.000 -7.213 0.000) 7.213 8.900 ( -0.000 29.948 -0.000) 29.948 9.046 ( -0.000 4.205 -0.000) 4.205 9.067 ( 0.000 -2.869 0.000) 2.869 9.479 ( -0.000 1.850 -0.000) 1.850 9.682 ( 0.000 -3.733 0.000) 3.733 9.770 ( -0.000 0.929 -0.000) 0.929 10.126 ( -0.000 2.324 -0.000) 2.324 10.301 ( -0.000 5.390 -0.000) 5.390 10.494 ( 0.000 -5.770 0.000) 5.770 10.534 ( 0.000 -1.298 0.000) 1.298 10.686 ( 0.000 -4.354 0.000) 4.354 10.723 ( -0.000 4.618 -0.000) 4.618 11.460 ( -0.000 6.316 -0.000) 6.316 11.606 ( 0.000 -18.763 0.000) 18.763 11.627 ( 0.000 -5.541 0.000) 5.541 11.943 ( 0.000 -13.318 0.000) 13.318 12.035 ( -0.000 3.670 -0.000) 3.670 12.416 ( 0.000 -3.998 0.000) 3.998 12.951 ( -0.000 0.216 -0.000) 0.216 13.600 ( -0.000 9.427 -0.000) 9.427 14.735 ( -0.000 22.821 -0.000) 22.821 15.143 ( -0.000 4.822 -0.000) 4.822 15.882 ( 0.000 -21.125 0.000) 21.125 16.383 ( -0.000 22.159 -0.000) 22.159 17.096 ( 0.000 -24.572 0.000) 24.572 17.871 ( 0.000 -12.624 0.000) 12.624 17.876 ( -0.000 2.287 -0.000) 2.287 18.339 ( 0.000 -12.701 0.000) 12.701 19.863 ( -0.000 5.005 -0.000) 5.005 20.261 ( -0.000 4.473 -0.000) 4.473 20.704 ( -0.000 4.278 -0.000) 4.278 21.549 ( -0.000 0.984 -0.000) 0.984 21.610 ( -0.000 1.943 -0.000) 1.943 21.774 ( -0.000 3.655 -0.000) 3.655 ======================= Grid point 122 (67/75) ======================= q-point: ( 0.48 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -0.000 1.079 2.931) 3.123 1.695 ( -0.000 10.102 -0.522) 10.116 2.077 ( -0.000 0.266 0.327) 0.422 2.282 ( -0.000 7.682 -6.207) 9.877 2.420 ( -0.000 2.510 -2.409) 3.479 2.421 ( -0.000 13.855 -6.651) 15.368 2.528 ( 0.000 -2.069 -0.150) 2.075 2.678 ( -0.000 0.592 0.581) 0.830 2.786 ( 0.000 -2.799 -0.468) 2.838 3.014 ( -0.000 4.863 -9.039) 10.264 3.633 ( 0.000 -3.604 2.139) 4.191 3.633 ( -0.000 20.823 11.850) 23.959 3.842 ( -0.000 6.516 -1.836) 6.770 4.066 ( -0.000 13.002 0.862) 13.031 4.440 ( -0.000 5.005 2.163) 5.452 4.694 ( -0.000 12.149 -8.417) 14.780 4.893 ( 0.000 -4.918 4.505) 6.670 5.029 ( 0.000 -0.801 2.760) 2.874 5.515 ( 0.000 -4.861 4.288) 6.482 5.543 ( 0.000 -9.011 -3.325) 9.605 5.646 ( -0.000 3.442 -3.662) 5.026 5.778 ( 0.000 -2.507 -1.237) 2.796 5.801 ( -0.000 7.697 2.749) 8.173 6.196 ( 0.000 -4.369 -12.011) 12.781 6.714 ( 0.000 -15.087 -4.781) 15.827 6.906 ( 0.000 -5.856 2.151) 6.238 7.006 ( -0.000 1.619 2.339) 2.845 7.032 ( 0.000 -9.618 6.153) 11.418 7.596 ( -0.000 6.553 7.199) 9.734 7.781 ( 0.000 -4.410 2.078) 4.876 8.332 ( 0.000 -14.273 3.168) 14.620 8.777 ( 0.000 -3.453 3.382) 4.834 8.988 ( 0.000 -3.249 -7.287) 7.979 9.025 ( 0.000 -0.520 0.388) 0.648 9.244 ( -0.000 8.933 -13.479) 16.171 9.542 ( -0.000 14.526 1.055) 14.564 9.711 ( 0.000 0.974 5.282) 5.371 9.820 ( 0.000 0.155 2.249) 2.255 10.055 ( -0.000 0.283 -8.500) 8.504 10.228 ( -0.000 0.383 -8.812) 8.821 10.414 ( -0.000 0.931 0.629) 1.124 10.575 ( 0.000 -1.340 -1.177) 1.783 10.766 ( 0.000 -0.960 9.684) 9.731 10.958 ( -0.000 4.047 12.524) 13.162 11.297 ( 0.000 -18.101 9.014) 20.221 11.326 ( -0.000 2.873 -17.358) 17.594 11.436 ( 0.000 -2.235 -10.376) 10.614 11.772 ( 0.000 -1.909 2.425) 3.086 12.242 ( 0.000 -0.455 8.801) 8.813 12.420 ( 0.000 -4.595 8.131) 9.339 12.956 ( -0.000 0.068 0.306) 0.313 13.726 ( -0.000 4.767 -1.226) 4.922 14.821 ( -0.000 11.887 -18.221) 21.756 15.481 ( -0.000 10.477 10.887) 15.109 15.642 ( 0.000 -12.002 7.321) 14.059 16.406 ( 0.000 -15.664 -14.604) 21.415 16.988 ( -0.000 14.018 10.873) 17.741 17.543 ( -0.000 -0.405 -11.126) 11.133 17.963 ( 0.000 -3.864 3.881) 5.476 18.130 ( 0.000 -13.798 4.719) 14.582 19.974 ( -0.000 2.764 3.261) 4.275 20.317 ( -0.000 2.219 -0.981) 2.426 20.719 ( -0.000 2.836 -3.991) 4.896 21.557 ( -0.000 1.359 -6.351) 6.495 21.608 ( -0.000 2.109 3.388) 3.991 21.898 ( 0.000 -0.471 5.116) 5.137 ======================= Grid point 123 (68/75) ======================= q-point: ( 0.32 -0.32 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.883 0.944 -0.000) 1.292 1.653 ( -3.910 9.899 -0.000) 10.643 2.145 ( 5.722 7.306 -0.000) 9.280 2.275 ( -5.452 3.127 -0.000) 6.285 2.403 ( -5.204 8.058 -0.000) 9.593 2.414 ( -3.039 0.532 -0.000) 3.085 2.650 ( 8.732 2.241 0.000) 9.015 2.706 ( -6.081 -0.148 -0.000) 6.083 2.789 ( 8.995 -2.040 0.000) 9.224 3.202 ( 2.224 4.191 -0.000) 4.745 3.603 ( -1.241 11.550 -0.000) 11.617 3.661 ( 2.644 15.162 -0.000) 15.391 3.870 ( 20.849 -3.716 0.000) 21.178 4.117 ( 9.168 4.727 0.000) 10.315 4.548 ( -9.002 21.369 -0.000) 23.188 4.613 ( -10.263 -9.162 -0.000) 13.758 4.837 ( 4.158 12.343 -0.000) 13.025 4.904 ( -4.499 3.054 -0.000) 5.437 5.364 ( -8.522 -6.580 -0.000) 10.767 5.511 ( -4.244 4.533 -0.000) 6.210 5.672 ( -10.583 -2.669 -0.000) 10.915 5.799 ( 2.527 2.363 0.000) 3.460 5.818 ( 7.370 -13.178 0.000) 15.099 6.366 ( 4.275 2.586 0.000) 4.996 6.555 ( -17.423 -11.632 -0.000) 20.949 6.852 ( -10.915 -0.359 -0.000) 10.921 6.904 ( 10.120 -15.674 0.000) 18.658 7.203 ( 9.708 0.577 0.000) 9.726 7.663 ( 12.866 4.157 0.000) 13.521 7.759 ( -0.249 -6.428 0.000) 6.433 8.311 ( 2.213 -14.812 0.000) 14.977 8.764 ( 2.265 -2.844 0.000) 3.635 8.855 ( -12.901 -2.072 -0.000) 13.066 9.111 ( 1.165 -2.255 0.000) 2.538 9.362 ( -5.436 19.423 -0.000) 20.170 9.508 ( -0.431 1.254 -0.000) 1.326 9.601 ( -3.085 -1.981 -0.000) 3.666 9.781 ( -0.375 2.646 -0.000) 2.673 10.193 ( 1.224 2.887 -0.000) 3.135 10.237 ( -10.697 1.170 -0.000) 10.760 10.431 ( -3.751 3.688 -0.000) 5.260 10.459 ( -3.310 4.352 -0.000) 5.468 10.644 ( 2.939 -3.186 0.000) 4.334 10.768 ( -2.379 -1.923 -0.000) 3.059 11.321 ( 9.158 -12.490 0.000) 15.487 11.528 ( -4.196 3.356 -0.000) 5.374 11.627 ( 4.759 -3.640 0.000) 5.991 11.825 ( 10.659 -8.447 0.000) 13.601 12.270 ( 3.168 -3.306 0.000) 4.579 12.346 ( 10.747 -1.301 0.000) 10.826 12.928 ( -2.195 0.293 -0.000) 2.215 13.758 ( 1.783 5.329 -0.000) 5.619 15.209 ( -0.323 0.739 -0.000) 0.807 15.267 ( 8.263 22.479 -0.000) 23.950 15.519 ( -3.632 -11.900 0.000) 12.442 16.678 ( 4.097 -23.825 0.000) 24.174 16.760 ( -3.725 21.000 -0.000) 21.327 17.717 ( 2.500 -4.642 0.000) 5.273 17.985 ( 7.084 1.600 0.000) 7.263 18.044 ( -2.767 -14.557 0.000) 14.818 19.961 ( 2.377 2.080 0.000) 3.158 20.314 ( -1.326 2.663 -0.000) 2.975 20.760 ( -0.992 1.599 -0.000) 1.881 21.527 ( -4.810 1.457 -0.000) 5.026 21.556 ( -5.692 0.962 -0.000) 5.773 21.793 ( -3.197 2.069 -0.000) 3.808 ======================= Grid point 129 (69/75) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.000 -0.000 1.645) 1.645 1.744 ( -0.000 0.000 -3.795) 3.795 1.923 ( -0.000 0.000 -12.755) 12.755 2.177 ( -0.000 0.000 -10.623) 10.623 2.372 ( -0.000 0.000 -8.213) 8.213 2.526 ( -0.000 0.000 -5.530) 5.530 2.535 ( 0.000 -0.000 5.620) 5.620 2.642 ( 0.000 -0.000 3.367) 3.367 2.684 ( -0.000 0.000 -3.587) 3.587 2.881 ( -0.000 0.000 -7.315) 7.315 3.670 ( -0.000 0.000 -10.442) 10.442 3.712 ( 0.000 -0.000 5.956) 5.956 4.095 ( -0.000 0.000 -16.169) 16.169 4.283 ( 0.000 -0.000 15.533) 15.533 4.376 ( -0.000 0.000 -13.975) 13.975 4.622 ( -0.000 0.000 -1.912) 1.912 4.790 ( -0.000 0.000 -7.029) 7.029 4.809 ( -0.000 0.000 -6.109) 6.109 5.362 ( -0.000 0.000 -7.239) 7.239 5.622 ( 0.000 -0.000 13.722) 13.722 5.764 ( 0.000 -0.000 1.830) 1.830 5.808 ( 0.000 -0.000 7.801) 7.801 5.888 ( -0.000 0.000 -8.534) 8.534 6.057 ( 0.000 -0.000 6.121) 6.121 6.460 ( -0.000 0.000 -6.846) 6.846 6.922 ( 0.000 -0.000 4.692) 4.692 7.084 ( 0.000 -0.000 5.284) 5.284 7.116 ( 0.000 -0.000 9.565) 9.565 7.792 ( 0.000 -0.000 3.433) 3.433 7.911 ( 0.000 -0.000 10.913) 10.913 8.221 ( 0.000 -0.000 3.073) 3.073 8.754 ( -0.000 0.000 -7.362) 7.362 8.881 ( 0.000 -0.000 7.919) 7.919 8.942 ( -0.000 0.000 -18.229) 18.229 9.073 ( 0.000 -0.000 3.549) 3.549 9.784 ( 0.000 -0.000 1.084) 1.084 9.830 ( -0.000 0.000 -0.401) 0.401 9.846 ( -0.000 0.000 -8.815) 8.815 9.857 ( 0.000 -0.000 4.876) 4.876 10.058 ( -0.000 0.000 -6.959) 6.959 10.453 ( -0.000 0.000 -2.075) 2.075 10.479 ( 0.000 -0.000 0.296) 0.296 10.876 ( 0.000 -0.000 5.352) 5.352 11.011 ( -0.000 0.000 -18.790) 18.790 11.091 ( -0.000 0.000 -12.272) 12.272 11.328 ( 0.000 -0.000 14.891) 14.891 11.465 ( 0.000 -0.000 17.742) 17.742 11.802 ( -0.000 0.000 -0.969) 0.969 12.424 ( 0.000 -0.000 10.152) 10.152 12.544 ( 0.000 -0.000 6.984) 6.984 12.963 ( 0.000 -0.000 0.228) 0.228 13.724 ( -0.000 0.000 -3.074) 3.074 14.552 ( -0.000 0.000 -17.548) 17.548 15.738 ( 0.000 -0.000 12.344) 12.344 15.799 ( 0.000 -0.000 5.025) 5.025 15.816 ( -0.000 0.000 -18.071) 18.071 17.343 ( -0.000 0.000 -9.798) 9.798 17.430 ( 0.000 -0.000 11.317) 11.317 17.998 ( 0.000 -0.000 5.234) 5.234 18.097 ( 0.000 -0.000 8.060) 8.060 20.055 ( 0.000 -0.000 0.372) 0.372 20.300 ( -0.000 0.000 -2.493) 2.493 20.661 ( -0.000 0.000 -3.887) 3.887 21.438 ( -0.000 0.000 -4.947) 4.947 21.725 ( 0.000 -0.000 3.217) 3.217 21.966 ( 0.000 -0.000 3.831) 3.831 ======================= Grid point 130 (70/75) ======================= q-point: (-0.50 0.67 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -1.027 0.000 2.958) 3.132 1.740 ( -5.172 0.000 -1.751) 5.461 2.205 ( 8.926 0.000 0.289) 8.931 2.215 ( -7.767 0.000 -2.268) 8.091 2.421 ( -4.328 0.000 -5.342) 6.876 2.499 ( 1.146 0.000 -0.723) 1.355 2.640 ( 1.337 -0.000 -6.932) 7.059 2.650 ( -2.723 0.000 -2.222) 3.515 2.743 ( 4.087 0.000 1.438) 4.332 3.159 ( 7.476 0.000 -4.565) 8.760 3.829 ( 18.889 0.000 2.194) 19.016 3.843 ( -3.209 0.000 11.811) 12.240 3.915 ( 1.945 0.000 -8.804) 9.016 4.224 ( 5.059 0.000 16.152) 16.925 4.491 ( -6.216 -0.000 -2.847) 6.837 4.698 ( -4.892 0.000 -13.207) 14.084 4.724 ( -13.384 -0.000 -5.262) 14.382 5.054 ( 3.807 0.000 -2.562) 4.589 5.349 ( -3.978 -0.000 -2.851) 4.894 5.440 ( -0.645 0.000 1.950) 2.054 5.657 ( -3.985 -0.000 0.330) 3.999 5.678 ( -7.064 0.000 2.207) 7.401 5.930 ( 1.737 0.000 7.686) 7.879 6.288 ( 9.827 0.000 -12.849) 16.176 6.533 ( -15.142 0.000 7.909) 17.083 6.677 ( 10.858 0.000 -2.778) 11.208 6.880 ( -10.523 0.000 3.961) 11.243 7.221 ( 13.510 0.000 1.937) 13.648 7.703 ( -2.625 0.000 1.235) 2.901 7.831 ( 10.591 0.000 6.055) 12.200 8.162 ( 1.366 0.000 3.170) 3.452 8.780 ( 3.597 0.000 3.941) 5.336 8.803 ( -12.513 0.000 -3.222) 12.921 9.031 ( 0.264 0.000 -3.081) 3.092 9.218 ( -7.256 0.000 -16.756) 18.260 9.643 ( -5.817 0.000 4.822) 7.556 9.741 ( 1.534 -0.000 7.012) 7.178 9.829 ( -0.135 0.000 0.218) 0.257 10.025 ( -3.075 0.000 -14.004) 14.338 10.246 ( -12.070 0.000 1.676) 12.185 10.348 ( 4.079 0.000 -6.980) 8.084 10.494 ( -2.086 0.000 -5.259) 5.658 10.771 ( 1.430 -0.000 6.824) 6.972 10.937 ( -5.667 0.000 19.426) 20.236 11.253 ( 12.037 0.000 5.020) 13.041 11.374 ( 0.390 -0.000 -10.864) 10.871 11.568 ( 14.725 0.000 -10.993) 18.376 11.746 ( -1.832 -0.000 5.836) 6.117 12.366 ( 0.227 0.000 9.288) 9.291 12.372 ( 10.617 0.000 3.571) 11.201 12.936 ( -1.920 0.000 0.371) 1.955 13.786 ( 1.289 0.000 -2.339) 2.671 14.992 ( 4.193 0.000 -15.862) 16.407 15.470 ( -4.831 0.000 7.136) 8.618 15.685 ( 4.540 0.000 7.420) 8.699 16.208 ( 3.033 0.000 -14.355) 14.672 17.125 ( -4.396 0.000 9.544) 10.507 17.615 ( 5.968 0.000 -6.374) 8.732 17.910 ( -3.453 -0.000 4.470) 5.648 18.006 ( 6.198 0.000 1.336) 6.340 20.013 ( 0.898 0.000 2.345) 2.511 20.346 ( 0.613 0.000 0.496) 0.789 20.742 ( -0.504 0.000 -2.689) 2.736 21.504 ( -6.040 0.000 -5.061) 7.880 21.592 ( -3.181 0.000 4.317) 5.362 21.844 ( -4.160 0.000 2.442) 4.824 ======================= Grid point 132 (71/75) ======================= q-point: ( 0.33 -0.33 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -3.131 0.000 -0.000) 3.131 1.618 ( -7.367 0.000 -0.000) 7.367 2.039 ( -8.613 0.000 -0.000) 8.613 2.204 ( -6.644 0.000 -0.000) 6.644 2.389 ( -10.729 0.000 -0.000) 10.729 2.593 ( 6.998 -0.000 0.000) 6.998 2.608 ( -0.111 0.000 -0.000) 0.111 2.688 ( -1.867 0.000 -0.000) 1.867 2.941 ( 10.378 -0.000 0.000) 10.378 3.278 ( 3.129 -0.000 0.000) 3.129 3.666 ( -2.324 0.000 -0.000) 2.324 3.852 ( -13.979 0.000 -0.000) 13.979 4.045 ( -6.017 0.000 -0.000) 6.017 4.248 ( 10.825 -0.000 0.000) 10.825 4.506 ( 1.859 -0.000 0.000) 1.859 4.595 ( -2.568 0.000 -0.000) 2.568 4.673 ( -15.520 0.000 -0.000) 15.520 4.846 ( 1.371 -0.000 0.000) 1.371 5.302 ( -20.088 0.000 -0.000) 20.088 5.533 ( 8.927 -0.000 0.000) 8.927 5.558 ( -4.597 0.000 -0.000) 4.597 5.653 ( 12.738 -0.000 0.000) 12.738 5.804 ( -4.655 0.000 -0.000) 4.655 6.148 ( -8.098 0.000 -0.000) 8.098 6.496 ( -17.110 0.000 -0.000) 17.110 6.701 ( 14.333 -0.000 0.000) 14.333 7.023 ( 14.625 -0.000 0.000) 14.625 7.463 ( 10.845 -0.000 0.000) 10.845 7.669 ( 0.428 -0.000 0.000) 0.428 8.112 ( 18.726 -0.000 0.000) 18.726 8.188 ( 4.756 -0.000 0.000) 4.756 8.440 ( -19.618 0.000 -0.000) 19.618 8.895 ( 10.419 -0.000 0.000) 10.419 9.103 ( 2.187 -0.000 0.000) 2.187 9.322 ( -12.905 0.000 -0.000) 12.905 9.479 ( -4.004 0.000 -0.000) 4.004 9.487 ( -4.669 0.000 -0.000) 4.669 9.845 ( 1.717 -0.000 0.000) 1.717 9.933 ( -13.590 0.000 -0.000) 13.590 10.197 ( -3.012 0.000 -0.000) 3.012 10.347 ( -13.496 0.000 -0.000) 13.496 10.589 ( 0.059 -0.000 0.000) 0.059 10.669 ( 1.361 -0.000 0.000) 1.361 10.710 ( 13.478 -0.000 0.000) 13.478 11.391 ( -10.180 0.000 -0.000) 10.180 11.543 ( 16.626 -0.000 0.000) 16.626 11.644 ( 1.431 -0.000 0.000) 1.431 12.103 ( 18.696 -0.000 0.000) 18.696 12.223 ( -0.089 0.000 -0.000) 0.089 12.632 ( 13.004 -0.000 0.000) 13.004 12.869 ( -3.775 0.000 -0.000) 3.775 13.876 ( 3.996 -0.000 0.000) 3.996 15.133 ( -6.934 0.000 -0.000) 6.934 15.261 ( -7.027 0.000 -0.000) 7.027 15.882 ( 18.745 -0.000 0.000) 18.745 16.454 ( 3.222 -0.000 0.000) 3.222 16.922 ( -2.592 0.000 -0.000) 2.592 17.750 ( -4.840 0.000 -0.000) 4.840 17.816 ( 5.365 -0.000 0.000) 5.365 18.230 ( 13.111 -0.000 0.000) 13.111 20.029 ( 1.952 -0.000 0.000) 1.952 20.294 ( -3.271 0.000 -0.000) 3.271 20.716 ( -3.366 0.000 -0.000) 3.366 21.338 ( -12.637 0.000 -0.000) 12.637 21.489 ( -1.726 0.000 -0.000) 1.726 21.722 ( -4.826 0.000 -0.000) 4.826 ======================= Grid point 155 (72/75) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -0.000 1.193 -0.000) 1.193 1.698 ( -0.000 11.448 -0.000) 11.448 2.058 ( -0.000 3.124 -0.000) 3.124 2.349 ( -0.000 5.647 -0.000) 5.647 2.464 ( 0.000 -2.936 0.000) 2.936 2.500 ( -0.000 3.798 -0.000) 3.798 2.525 ( -0.000 10.706 -0.000) 10.706 2.645 ( -0.000 3.836 -0.000) 3.836 2.795 ( 0.000 -1.845 0.000) 1.845 3.177 ( -0.000 10.283 -0.000) 10.283 3.609 ( 0.000 -6.392 0.000) 6.392 3.616 ( -0.000 15.932 -0.000) 15.932 3.620 ( -0.000 12.336 -0.000) 12.336 4.009 ( -0.000 2.679 -0.000) 2.679 4.635 ( -0.000 29.314 -0.000) 29.314 4.725 ( 0.000 -10.418 0.000) 10.418 4.816 ( -0.000 9.091 -0.000) 9.091 4.971 ( -0.000 6.185 -0.000) 6.185 5.448 ( 0.000 -1.939 0.000) 1.939 5.597 ( 0.000 -11.856 0.000) 11.856 5.705 ( 0.000 -0.860 0.000) 0.860 5.758 ( -0.000 2.917 -0.000) 2.917 5.792 ( 0.000 -2.986 0.000) 2.986 6.329 ( 0.000 -4.285 0.000) 4.285 6.782 ( 0.000 -18.521 0.000) 18.521 6.883 ( 0.000 -5.994 0.000) 5.994 6.963 ( 0.000 -10.575 0.000) 10.575 6.981 ( -0.000 2.283 -0.000) 2.283 7.512 ( -0.000 6.306 -0.000) 6.306 7.760 ( 0.000 -4.124 0.000) 4.124 8.293 ( 0.000 -14.883 0.000) 14.883 8.742 ( 0.000 -4.422 0.000) 4.422 9.022 ( 0.000 -1.796 0.000) 1.796 9.089 ( -0.000 0.787 -0.000) 0.787 9.420 ( -0.000 22.058 -0.000) 22.058 9.505 ( -0.000 0.857 -0.000) 0.857 9.630 ( 0.000 -1.884 0.000) 1.884 9.792 ( -0.000 1.766 -0.000) 1.766 10.176 ( -0.000 2.502 -0.000) 2.502 10.376 ( -0.000 2.048 -0.000) 2.048 10.466 ( -0.000 4.866 -0.000) 4.866 10.499 ( 0.000 -2.134 0.000) 2.134 10.633 ( 0.000 -1.334 0.000) 1.334 10.795 ( -0.000 2.868 -0.000) 2.868 11.203 ( 0.000 -23.405 0.000) 23.405 11.557 ( 0.000 -1.513 0.000) 1.513 11.573 ( -0.000 5.153 -0.000) 5.153 11.721 ( 0.000 -9.960 0.000) 9.960 12.114 ( -0.000 4.382 -0.000) 4.382 12.323 ( 0.000 -5.427 0.000) 5.427 12.952 ( 0.000 -0.011 0.000) 0.011 13.738 ( -0.000 5.082 -0.000) 5.082 15.172 ( -0.000 22.173 -0.000) 22.173 15.206 ( -0.000 2.098 -0.000) 2.098 15.563 ( 0.000 -12.111 0.000) 12.111 16.632 ( 0.000 -23.188 0.000) 23.188 16.805 ( -0.000 20.739 -0.000) 20.739 17.685 ( 0.000 -6.914 0.000) 6.914 17.906 ( -0.000 1.005 -0.000) 1.005 18.078 ( 0.000 -14.013 0.000) 14.013 19.932 ( -0.000 2.360 -0.000) 2.360 20.327 ( -0.000 2.506 -0.000) 2.506 20.771 ( -0.000 2.629 -0.000) 2.629 21.563 ( -0.000 0.457 -0.000) 0.457 21.642 ( -0.000 1.319 -0.000) 1.319 21.830 ( -0.000 2.140 -0.000) 2.140 ======================= Grid point 164 (73/75) ======================= q-point: (-0.42 0.58 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 -0.000 2.834) 2.834 1.801 ( -0.000 0.000 -1.814) 1.814 2.071 ( -0.000 0.000 -1.964) 1.964 2.308 ( -0.000 0.000 -2.545) 2.545 2.483 ( -0.000 0.000 -2.475) 2.475 2.507 ( -0.000 0.000 -1.710) 1.710 2.617 ( -0.000 0.000 -3.028) 3.028 2.637 ( -0.000 0.000 -2.722) 2.722 2.745 ( -0.000 0.000 -2.141) 2.141 3.064 ( -0.000 0.000 -11.161) 11.161 3.594 ( 0.000 -0.000 4.802) 4.802 3.856 ( -0.000 0.000 -3.706) 3.706 3.895 ( 0.000 -0.000 10.034) 10.034 4.159 ( 0.000 -0.000 14.884) 14.884 4.563 ( -0.000 0.000 -2.605) 2.605 4.803 ( -0.000 0.000 -18.411) 18.411 4.899 ( -0.000 0.000 -2.570) 2.570 4.942 ( -0.000 0.000 -7.024) 7.024 5.434 ( 0.000 -0.000 5.469) 5.469 5.435 ( 0.000 -0.000 1.556) 1.556 5.708 ( 0.000 -0.000 0.481) 0.481 5.758 ( -0.000 0.000 -0.668) 0.668 5.900 ( 0.000 -0.000 8.226) 8.226 6.168 ( -0.000 0.000 -14.606) 14.606 6.538 ( -0.000 0.000 -1.246) 1.246 6.850 ( 0.000 -0.000 2.372) 2.372 6.936 ( 0.000 -0.000 6.996) 6.996 7.006 ( 0.000 -0.000 2.421) 2.421 7.709 ( 0.000 -0.000 7.327) 7.327 7.737 ( 0.000 -0.000 1.849) 1.849 8.151 ( 0.000 -0.000 3.389) 3.389 8.746 ( 0.000 -0.000 4.514) 4.514 8.954 ( -0.000 0.000 -10.400) 10.400 9.020 ( 0.000 -0.000 1.569) 1.569 9.301 ( -0.000 0.000 -15.218) 15.218 9.718 ( 0.000 -0.000 4.585) 4.585 9.721 ( 0.000 -0.000 7.630) 7.630 9.829 ( 0.000 -0.000 0.268) 0.268 10.059 ( -0.000 0.000 -10.672) 10.672 10.240 ( -0.000 0.000 -9.892) 9.892 10.477 ( -0.000 0.000 -0.054) 0.054 10.523 ( -0.000 0.000 -4.421) 4.421 10.755 ( 0.000 -0.000 6.074) 6.074 10.999 ( 0.000 -0.000 13.574) 13.574 11.084 ( 0.000 -0.000 17.665) 17.665 11.360 ( -0.000 0.000 -12.918) 12.918 11.395 ( -0.000 0.000 -14.923) 14.923 11.766 ( 0.000 -0.000 4.687) 4.687 12.245 ( 0.000 -0.000 6.334) 6.334 12.368 ( 0.000 -0.000 9.024) 9.024 12.957 ( 0.000 -0.000 0.367) 0.367 13.772 ( -0.000 0.000 -1.450) 1.450 14.936 ( -0.000 0.000 -18.471) 18.471 15.526 ( 0.000 -0.000 7.411) 7.411 15.637 ( 0.000 -0.000 10.415) 10.415 16.172 ( -0.000 0.000 -15.077) 15.077 17.187 ( 0.000 -0.000 11.232) 11.232 17.534 ( -0.000 0.000 -7.536) 7.536 17.929 ( 0.000 -0.000 1.616) 1.616 17.960 ( 0.000 -0.000 4.739) 4.739 20.000 ( 0.000 -0.000 3.650) 3.650 20.339 ( -0.000 0.000 -1.238) 1.238 20.747 ( -0.000 0.000 -3.981) 3.981 21.571 ( -0.000 0.000 -6.615) 6.615 21.630 ( 0.000 -0.000 5.005) 5.005 21.892 ( 0.000 -0.000 3.173) 3.173 ======================= Grid point 166 (74/75) ======================= q-point: ( 0.42 -0.42 0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -1.119 0.000 -0.000) 1.119 1.758 ( -5.232 0.000 -0.000) 5.232 2.190 ( 7.390 -0.000 0.000) 7.390 2.231 ( -7.794 0.000 -0.000) 7.794 2.493 ( -1.042 0.000 -0.000) 1.042 2.507 ( -0.844 0.000 -0.000) 0.844 2.677 ( 1.934 -0.000 0.000) 1.934 2.696 ( -5.799 0.000 -0.000) 5.799 2.754 ( 6.355 -0.000 0.000) 6.355 3.233 ( -0.005 0.000 -0.000) 0.005 3.719 ( -2.494 0.000 -0.000) 2.494 3.827 ( 21.410 -0.000 0.000) 21.410 3.926 ( 3.702 -0.000 0.000) 3.702 4.024 ( 5.525 -0.000 0.000) 5.525 4.557 ( -5.316 0.000 -0.000) 5.316 4.786 ( -10.409 0.000 -0.000) 10.409 4.933 ( -7.219 0.000 -0.000) 7.219 4.951 ( -8.453 0.000 -0.000) 8.453 5.422 ( 3.227 -0.000 0.000) 3.227 5.435 ( 6.187 -0.000 0.000) 6.187 5.648 ( -11.072 0.000 -0.000) 11.072 5.661 ( -4.667 0.000 -0.000) 4.667 5.820 ( 1.867 -0.000 0.000) 1.867 6.441 ( -17.328 0.000 -0.000) 17.328 6.441 ( 8.856 -0.000 0.000) 8.856 6.707 ( 13.047 -0.000 0.000) 13.047 6.837 ( -12.546 0.000 -0.000) 12.546 7.201 ( 14.122 -0.000 0.000) 14.122 7.694 ( -1.804 0.000 -0.000) 1.804 7.763 ( 12.095 -0.000 0.000) 12.095 8.121 ( 1.547 -0.000 0.000) 1.547 8.739 ( 4.123 -0.000 0.000) 4.123 8.831 ( -14.792 0.000 -0.000) 14.792 9.089 ( -0.264 0.000 -0.000) 0.264 9.520 ( -0.073 0.000 -0.000) 0.073 9.545 ( -7.247 0.000 -0.000) 7.247 9.576 ( -3.169 0.000 -0.000) 3.169 9.827 ( 0.232 -0.000 0.000) 0.232 10.221 ( 0.830 -0.000 0.000) 0.830 10.226 ( -12.728 0.000 -0.000) 12.728 10.513 ( 4.491 -0.000 0.000) 4.491 10.599 ( -10.011 0.000 -0.000) 10.011 10.601 ( -1.250 0.000 -0.000) 1.250 10.647 ( 0.730 -0.000 0.000) 0.730 11.177 ( 17.044 -0.000 0.000) 17.044 11.566 ( -5.616 0.000 -0.000) 5.616 11.607 ( 1.651 -0.000 0.000) 1.651 11.734 ( 13.602 -0.000 0.000) 13.602 12.235 ( -0.840 0.000 -0.000) 0.840 12.336 ( 12.723 -0.000 0.000) 12.723 12.931 ( -1.928 0.000 -0.000) 1.928 13.808 ( 2.089 -0.000 0.000) 2.089 15.215 ( -1.410 0.000 -0.000) 1.410 15.392 ( -4.710 0.000 -0.000) 4.710 15.556 ( 10.831 -0.000 0.000) 10.831 16.389 ( 2.505 -0.000 0.000) 2.505 16.993 ( -3.546 0.000 -0.000) 3.546 17.690 ( 5.593 -0.000 0.000) 5.593 17.857 ( -4.365 0.000 -0.000) 4.365 18.000 ( 7.617 -0.000 0.000) 7.617 19.981 ( 2.158 -0.000 0.000) 2.158 20.340 ( -1.164 0.000 -0.000) 1.164 20.775 ( -1.945 0.000 -0.000) 1.945 21.538 ( -2.311 0.000 -0.000) 2.311 21.567 ( -7.850 0.000 -0.000) 7.850 21.813 ( -3.259 0.000 -0.000) 3.259 ======================= Grid point 198 (75/75) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.000 0.000 -0.000) 0.000 1.820 ( -0.000 0.000 -0.000) 0.000 2.077 ( -0.000 0.000 -0.000) 0.000 2.322 ( -0.000 0.000 -0.000) 0.000 2.504 ( -0.000 0.000 -0.000) 0.000 2.536 ( -0.000 0.000 -0.000) 0.000 2.649 ( 0.000 -0.000 0.000) 0.000 2.682 ( -0.000 0.000 -0.000) 0.000 2.768 ( -0.000 0.000 -0.000) 0.000 3.262 ( 0.000 -0.000 0.000) 0.000 3.539 ( -0.000 0.000 -0.000) 0.000 3.750 ( -0.000 0.000 -0.000) 0.000 3.865 ( 0.000 -0.000 0.000) 0.000 3.942 ( -0.000 0.000 -0.000) 0.000 4.628 ( -0.000 0.000 -0.000) 0.000 4.924 ( -0.000 0.000 -0.000) 0.000 5.028 ( 0.000 -0.000 0.000) 0.000 5.033 ( -0.000 0.000 -0.000) 0.000 5.374 ( -0.000 0.000 -0.000) 0.000 5.384 ( -0.000 0.000 -0.000) 0.000 5.725 ( -0.000 0.000 -0.000) 0.000 5.769 ( -0.000 0.000 -0.000) 0.000 5.787 ( -0.000 0.000 -0.000) 0.000 6.343 ( -0.000 0.000 -0.000) 0.000 6.545 ( 0.000 -0.000 0.000) 0.000 6.824 ( -0.000 0.000 -0.000) 0.000 6.857 ( -0.000 0.000 -0.000) 0.000 6.980 ( -0.000 0.000 -0.000) 0.000 7.631 ( -0.000 0.000 -0.000) 0.000 7.717 ( -0.000 0.000 -0.000) 0.000 8.108 ( -0.000 0.000 -0.000) 0.000 8.700 ( -0.000 0.000 -0.000) 0.000 9.004 ( -0.000 0.000 -0.000) 0.000 9.094 ( -0.000 0.000 -0.000) 0.000 9.512 ( -0.000 0.000 -0.000) 0.000 9.612 ( -0.000 0.000 -0.000) 0.000 9.624 ( 0.000 -0.000 0.000) 0.000 9.826 ( -0.000 0.000 -0.000) 0.000 10.203 ( -0.000 0.000 -0.000) 0.000 10.396 ( -0.000 0.000 -0.000) 0.000 10.475 ( -0.000 0.000 -0.000) 0.000 10.623 ( -0.000 0.000 -0.000) 0.000 10.639 ( 0.000 -0.000 0.000) 0.000 10.824 ( -0.000 0.000 -0.000) 0.000 10.843 ( -0.000 0.000 -0.000) 0.000 11.579 ( -0.000 0.000 -0.000) 0.000 11.587 ( 0.000 -0.000 0.000) 0.000 11.627 ( -0.000 0.000 -0.000) 0.000 12.177 ( -0.000 0.000 -0.000) 0.000 12.247 ( -0.000 0.000 -0.000) 0.000 12.952 ( -0.000 0.000 -0.000) 0.000 13.786 ( -0.000 0.000 -0.000) 0.000 15.226 ( -0.000 0.000 -0.000) 0.000 15.436 ( -0.000 0.000 -0.000) 0.000 15.447 ( -0.000 0.000 -0.000) 0.000 16.359 ( -0.000 0.000 -0.000) 0.000 17.040 ( -0.000 0.000 -0.000) 0.000 17.619 ( -0.000 0.000 -0.000) 0.000 17.909 ( 0.000 -0.000 0.000) 0.000 17.916 ( -0.000 0.000 -0.000) 0.000 19.954 ( -0.000 0.000 -0.000) 0.000 20.351 ( -0.000 0.000 -0.000) 0.000 20.796 ( -0.000 0.000 -0.000) 0.000 21.567 ( -0.000 0.000 -0.000) 0.000 21.655 ( -0.000 0.000 -0.000) 0.000 21.850 ( -0.000 0.000 -0.000) 0.000 =================== 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 3/23760 10.0 163.430 255.160 160.091 -0.000 0.000 -0.000 3/23760 20.0 44.892 58.098 36.810 -0.000 0.000 -0.000 3/23760 30.0 27.279 32.142 20.494 -0.000 0.000 -0.000 3/23760 40.0 19.565 22.018 14.120 -0.000 0.000 -0.000 3/23760 50.0 15.232 16.644 10.802 -0.000 0.000 -0.000 3/23760 60.0 12.451 13.359 8.772 -0.000 0.000 -0.000 3/23760 70.0 10.511 11.156 7.396 -0.000 0.000 -0.000 3/23760 80.0 9.082 9.581 6.397 -0.000 0.000 -0.000 3/23760 90.0 7.986 8.400 5.639 -0.000 0.000 -0.000 3/23760 100.0 7.122 7.482 5.044 -0.000 0.000 -0.000 3/23760 110.0 6.425 6.749 4.564 -0.000 0.000 -0.000 3/23760 120.0 5.850 6.150 4.170 -0.000 0.000 -0.000 3/23760 130.0 5.369 5.651 3.840 -0.000 0.000 -0.000 3/23760 140.0 4.961 5.230 3.559 -0.000 0.000 -0.000 3/23760 150.0 4.611 4.869 3.318 -0.000 0.000 -0.000 3/23760 160.0 4.307 4.556 3.108 -0.000 0.000 -0.000 3/23760 170.0 4.041 4.282 2.924 -0.000 0.000 -0.000 3/23760 180.0 3.806 4.040 2.761 -0.000 0.000 -0.000 3/23760 190.0 3.597 3.826 2.615 -0.000 0.000 -0.000 3/23760 200.0 3.410 3.633 2.485 -0.000 0.000 -0.000 3/23760 210.0 3.242 3.459 2.367 -0.000 0.000 -0.000 3/23760 220.0 3.089 3.302 2.260 -0.000 0.000 -0.000 3/23760 230.0 2.951 3.159 2.163 -0.000 0.000 -0.000 3/23760 240.0 2.824 3.028 2.073 -0.000 0.000 -0.000 3/23760 250.0 2.708 2.907 1.991 -0.000 0.000 -0.000 3/23760 260.0 2.602 2.797 1.916 -0.000 0.000 -0.000 3/23760 270.0 2.503 2.694 1.845 -0.000 0.000 -0.000 3/23760 280.0 2.412 2.599 1.780 -0.000 0.000 -0.000 3/23760 290.0 2.327 2.510 1.720 -0.000 0.000 -0.000 3/23760 300.0 2.248 2.427 1.663 -0.000 0.000 -0.000 3/23760 310.0 2.174 2.350 1.610 -0.000 0.000 -0.000 3/23760 320.0 2.105 2.277 1.561 -0.000 0.000 -0.000 3/23760 330.0 2.041 2.209 1.514 -0.000 0.000 -0.000 3/23760 340.0 1.980 2.145 1.470 -0.000 0.000 -0.000 3/23760 350.0 1.923 2.084 1.429 -0.000 0.000 -0.000 3/23760 360.0 1.869 2.027 1.389 -0.000 0.000 -0.000 3/23760 370.0 1.818 1.973 1.352 -0.000 0.000 -0.000 3/23760 380.0 1.769 1.922 1.317 -0.000 0.000 -0.000 3/23760 390.0 1.723 1.873 1.284 -0.000 0.000 -0.000 3/23760 400.0 1.680 1.827 1.252 -0.000 0.000 -0.000 3/23760 410.0 1.639 1.783 1.222 -0.000 0.000 -0.000 3/23760 420.0 1.599 1.741 1.193 -0.000 0.000 -0.000 3/23760 430.0 1.562 1.701 1.166 -0.000 0.000 -0.000 3/23760 440.0 1.526 1.662 1.140 -0.000 0.000 -0.000 3/23760 450.0 1.492 1.626 1.115 -0.000 0.000 -0.000 3/23760 460.0 1.460 1.591 1.091 -0.000 0.000 -0.000 3/23760 470.0 1.428 1.558 1.068 -0.000 0.000 -0.000 3/23760 480.0 1.398 1.525 1.046 -0.000 0.000 -0.000 3/23760 490.0 1.370 1.495 1.025 -0.000 0.000 -0.000 3/23760 500.0 1.342 1.465 1.004 -0.000 0.000 -0.000 3/23760 510.0 1.316 1.437 0.985 -0.000 0.000 -0.000 3/23760 520.0 1.290 1.409 0.966 -0.000 0.000 -0.000 3/23760 530.0 1.266 1.383 0.948 -0.000 0.000 -0.000 3/23760 540.0 1.242 1.357 0.931 -0.000 0.000 -0.000 3/23760 550.0 1.220 1.333 0.914 -0.000 0.000 -0.000 3/23760 560.0 1.198 1.309 0.898 -0.000 0.000 -0.000 3/23760 570.0 1.177 1.287 0.882 -0.000 0.000 -0.000 3/23760 580.0 1.157 1.265 0.867 -0.000 0.000 -0.000 3/23760 590.0 1.137 1.243 0.852 -0.000 0.000 -0.000 3/23760 600.0 1.118 1.223 0.838 -0.000 0.000 -0.000 3/23760 610.0 1.100 1.203 0.825 -0.000 0.000 -0.000 3/23760 620.0 1.082 1.184 0.812 -0.000 0.000 -0.000 3/23760 630.0 1.065 1.165 0.799 -0.000 0.000 -0.000 3/23760 640.0 1.048 1.147 0.786 -0.000 0.000 -0.000 3/23760 650.0 1.032 1.129 0.774 -0.000 0.000 -0.000 3/23760 660.0 1.016 1.112 0.763 -0.000 0.000 -0.000 3/23760 670.0 1.001 1.096 0.751 -0.000 0.000 -0.000 3/23760 680.0 0.986 1.080 0.740 -0.000 0.000 -0.000 3/23760 690.0 0.972 1.064 0.730 -0.000 0.000 -0.000 3/23760 700.0 0.958 1.049 0.719 -0.000 0.000 -0.000 3/23760 710.0 0.944 1.035 0.709 -0.000 0.000 -0.000 3/23760 720.0 0.931 1.020 0.700 -0.000 0.000 -0.000 3/23760 730.0 0.919 1.006 0.690 -0.000 0.000 -0.000 3/23760 740.0 0.906 0.993 0.681 -0.000 0.000 -0.000 3/23760 750.0 0.894 0.980 0.672 -0.000 0.000 -0.000 3/23760 760.0 0.882 0.967 0.663 -0.000 0.000 -0.000 3/23760 770.0 0.871 0.955 0.654 -0.000 0.000 -0.000 3/23760 780.0 0.860 0.942 0.646 -0.000 0.000 -0.000 3/23760 790.0 0.849 0.930 0.638 -0.000 0.000 -0.000 3/23760 800.0 0.838 0.919 0.630 -0.000 0.000 -0.000 3/23760 810.0 0.828 0.908 0.622 -0.000 0.000 -0.000 3/23760 820.0 0.818 0.897 0.615 -0.000 0.000 -0.000 3/23760 830.0 0.808 0.886 0.607 -0.000 0.000 -0.000 3/23760 840.0 0.798 0.875 0.600 -0.000 0.000 -0.000 3/23760 850.0 0.789 0.865 0.593 -0.000 0.000 -0.000 3/23760 860.0 0.780 0.855 0.586 -0.000 0.000 -0.000 3/23760 870.0 0.771 0.845 0.580 -0.000 0.000 -0.000 3/23760 880.0 0.762 0.836 0.573 -0.000 0.000 -0.000 3/23760 890.0 0.753 0.826 0.567 -0.000 0.000 -0.000 3/23760 900.0 0.745 0.817 0.560 -0.000 0.000 -0.000 3/23760 910.0 0.737 0.808 0.554 -0.000 0.000 -0.000 3/23760 920.0 0.729 0.800 0.548 -0.000 0.000 -0.000 3/23760 930.0 0.721 0.791 0.542 -0.000 0.000 -0.000 3/23760 940.0 0.713 0.783 0.537 -0.000 0.000 -0.000 3/23760 950.0 0.706 0.774 0.531 -0.000 0.000 -0.000 3/23760 960.0 0.698 0.766 0.525 -0.000 0.000 -0.000 3/23760 970.0 0.691 0.759 0.520 -0.000 0.000 -0.000 3/23760 980.0 0.684 0.751 0.515 -0.000 0.000 -0.000 3/23760 990.0 0.677 0.743 0.510 -0.000 0.000 -0.000 3/23760 1000.0 0.670 0.736 0.505 -0.000 0.000 -0.000 3/23760 Thermal conductivity related properties were written into "kappa-m1660.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:27:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|