----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:05:49]------------------------- 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: [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.477174509999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.802071269999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.217898340000000 Atomic positions (fractional): *1 S 0.72812429770662 0.25000000000000 0.30158383982785 32.065 2 S 0.27187570229338 0.75000000000000 0.69841616017215 32.065 3 S 0.77187570229338 0.75000000000000 0.80158383982785 32.065 4 S 0.22812429770662 0.25000000000000 0.19841616017215 32.065 *5 S 0.37991709263685 0.25000000000000 0.94400911536841 32.065 6 S 0.62008290736315 0.75000000000000 0.05599088463159 32.065 7 S 0.12008290736315 0.75000000000000 0.44400911536841 32.065 8 S 0.87991709263685 0.25000000000000 0.55599088463159 32.065 *9 S 0.04518011140890 0.25000000000000 0.87435498249718 32.065 10 S 0.95481988859110 0.75000000000000 0.12564501750282 32.065 11 S 0.45481988859110 0.75000000000000 0.37435498249718 32.065 12 S 0.54518011140890 0.25000000000000 0.62564501750282 32.065 *13 Ho 0.80671826446889 0.25000000000000 0.99793812948721 164.930 14 Ho 0.19328173553111 0.75000000000000 0.00206187051279 164.930 15 Ho 0.69328173553111 0.75000000000000 0.49793812948721 164.930 16 Ho 0.30671826446889 0.25000000000000 0.50206187051279 164.930 *17 Ho 0.48903402274187 0.25000000000000 0.18684119989880 164.930 18 Ho 0.51096597725813 0.75000000000000 0.81315880010120 164.930 19 Ho 0.01096597725813 0.75000000000000 0.68684119989880 164.930 20 Ho 0.98903402274187 0.25000000000000 0.31315880010120 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.477174509999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.802071269999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.217898340000000 Atomic positions (fractional): *1 S 0.72812429770662 0.25000000000000 0.30158383982785 32.065 > 1 2 S 0.27187570229338 0.75000000000000 0.69841616017215 32.065 > 2 3 S 0.77187570229338 0.75000000000000 0.80158383982785 32.065 > 3 4 S 0.22812429770662 0.25000000000000 0.19841616017215 32.065 > 4 *5 S 0.37991709263685 0.25000000000000 0.94400911536841 32.065 > 5 6 S 0.62008290736315 0.75000000000000 0.05599088463159 32.065 > 6 7 S 0.12008290736315 0.75000000000000 0.44400911536841 32.065 > 7 8 S 0.87991709263685 0.25000000000000 0.55599088463159 32.065 > 8 *9 S 0.04518011140890 0.25000000000000 0.87435498249718 32.065 > 9 10 S 0.95481988859110 0.75000000000000 0.12564501750282 32.065 > 10 11 S 0.45481988859110 0.75000000000000 0.37435498249718 32.065 > 11 12 S 0.54518011140890 0.25000000000000 0.62564501750282 32.065 > 12 *13 Ho 0.80671826446889 0.25000000000000 0.99793812948721 164.930 > 13 14 Ho 0.19328173553111 0.75000000000000 0.00206187051279 164.930 > 14 15 Ho 0.69328173553111 0.75000000000000 0.49793812948721 164.930 > 15 16 Ho 0.30671826446889 0.25000000000000 0.50206187051279 164.930 > 16 *17 Ho 0.48903402274187 0.25000000000000 0.18684119989880 164.930 > 17 18 Ho 0.51096597725813 0.75000000000000 0.81315880010120 164.930 > 18 19 Ho 0.01096597725813 0.75000000000000 0.68684119989880 164.930 > 19 20 Ho 0.98903402274187 0.25000000000000 0.31315880010120 164.930 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.477174509999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.406213809999997 0.000000000000000 c 0.000000000000000 0.000000000000000 20.435796679999999 Atomic positions (fractional): *1 S 0.72812429770662 0.08333333333333 0.15079191991392 32.065 > 1 2 S 0.72812429770662 0.41666666666667 0.15079191991392 32.065 > 1 3 S 0.72812429770662 0.75000000000000 0.15079191991392 32.065 > 1 4 S 0.72812429770662 0.08333333333333 0.65079191991392 32.065 > 1 5 S 0.72812429770662 0.41666666666667 0.65079191991392 32.065 > 1 6 S 0.72812429770662 0.75000000000000 0.65079191991392 32.065 > 1 7 S 0.27187570229338 0.25000000000000 0.34920808008608 32.065 > 2 8 S 0.27187570229338 0.58333333333333 0.34920808008608 32.065 > 2 9 S 0.27187570229338 0.91666666666667 0.34920808008608 32.065 > 2 10 S 0.27187570229338 0.25000000000000 0.84920808008608 32.065 > 2 11 S 0.27187570229338 0.58333333333333 0.84920808008608 32.065 > 2 12 S 0.27187570229338 0.91666666666667 0.84920808008608 32.065 > 2 13 S 0.77187570229338 0.25000000000000 0.40079191991392 32.065 > 3 14 S 0.77187570229338 0.58333333333333 0.40079191991392 32.065 > 3 15 S 0.77187570229338 0.91666666666667 0.40079191991392 32.065 > 3 16 S 0.77187570229338 0.25000000000000 0.90079191991392 32.065 > 3 17 S 0.77187570229338 0.58333333333333 0.90079191991392 32.065 > 3 18 S 0.77187570229338 0.91666666666667 0.90079191991392 32.065 > 3 19 S 0.22812429770662 0.08333333333333 0.09920808008608 32.065 > 4 20 S 0.22812429770662 0.41666666666667 0.09920808008608 32.065 > 4 21 S 0.22812429770662 0.75000000000000 0.09920808008608 32.065 > 4 22 S 0.22812429770662 0.08333333333333 0.59920808008608 32.065 > 4 23 S 0.22812429770662 0.41666666666667 0.59920808008608 32.065 > 4 24 S 0.22812429770662 0.75000000000000 0.59920808008608 32.065 > 4 *25 S 0.37991709263685 0.08333333333333 0.47200455768420 32.065 > 5 26 S 0.37991709263685 0.41666666666667 0.47200455768420 32.065 > 5 27 S 0.37991709263685 0.75000000000000 0.47200455768420 32.065 > 5 28 S 0.37991709263685 0.08333333333333 0.97200455768420 32.065 > 5 29 S 0.37991709263685 0.41666666666667 0.97200455768420 32.065 > 5 30 S 0.37991709263685 0.75000000000000 0.97200455768420 32.065 > 5 31 S 0.62008290736315 0.25000000000000 0.02799544231580 32.065 > 6 32 S 0.62008290736315 0.58333333333333 0.02799544231580 32.065 > 6 33 S 0.62008290736315 0.91666666666667 0.02799544231580 32.065 > 6 34 S 0.62008290736315 0.25000000000000 0.52799544231580 32.065 > 6 35 S 0.62008290736315 0.58333333333333 0.52799544231580 32.065 > 6 36 S 0.62008290736315 0.91666666666667 0.52799544231580 32.065 > 6 37 S 0.12008290736315 0.25000000000000 0.22200455768420 32.065 > 7 38 S 0.12008290736315 0.58333333333333 0.22200455768420 32.065 > 7 39 S 0.12008290736315 0.91666666666667 0.22200455768420 32.065 > 7 40 S 0.12008290736315 0.25000000000000 0.72200455768420 32.065 > 7 41 S 0.12008290736315 0.58333333333333 0.72200455768420 32.065 > 7 42 S 0.12008290736315 0.91666666666667 0.72200455768420 32.065 > 7 43 S 0.87991709263685 0.08333333333333 0.27799544231580 32.065 > 8 44 S 0.87991709263685 0.41666666666667 0.27799544231580 32.065 > 8 45 S 0.87991709263685 0.75000000000000 0.27799544231580 32.065 > 8 46 S 0.87991709263685 0.08333333333333 0.77799544231580 32.065 > 8 47 S 0.87991709263685 0.41666666666667 0.77799544231580 32.065 > 8 48 S 0.87991709263685 0.75000000000000 0.77799544231580 32.065 > 8 *49 S 0.04518011140890 0.08333333333333 0.43717749124859 32.065 > 9 50 S 0.04518011140890 0.41666666666667 0.43717749124859 32.065 > 9 51 S 0.04518011140890 0.75000000000000 0.43717749124859 32.065 > 9 52 S 0.04518011140890 0.08333333333333 0.93717749124859 32.065 > 9 53 S 0.04518011140890 0.41666666666667 0.93717749124859 32.065 > 9 54 S 0.04518011140890 0.75000000000000 0.93717749124859 32.065 > 9 55 S 0.95481988859110 0.25000000000000 0.06282250875141 32.065 > 10 56 S 0.95481988859110 0.58333333333333 0.06282250875141 32.065 > 10 57 S 0.95481988859110 0.91666666666667 0.06282250875141 32.065 > 10 58 S 0.95481988859110 0.25000000000000 0.56282250875141 32.065 > 10 59 S 0.95481988859110 0.58333333333333 0.56282250875141 32.065 > 10 60 S 0.95481988859110 0.91666666666667 0.56282250875141 32.065 > 10 61 S 0.45481988859110 0.25000000000000 0.18717749124859 32.065 > 11 62 S 0.45481988859110 0.58333333333333 0.18717749124859 32.065 > 11 63 S 0.45481988859110 0.91666666666667 0.18717749124859 32.065 > 11 64 S 0.45481988859110 0.25000000000000 0.68717749124859 32.065 > 11 65 S 0.45481988859110 0.58333333333333 0.68717749124859 32.065 > 11 66 S 0.45481988859110 0.91666666666667 0.68717749124859 32.065 > 11 67 S 0.54518011140890 0.08333333333333 0.31282250875141 32.065 > 12 68 S 0.54518011140890 0.41666666666667 0.31282250875141 32.065 > 12 69 S 0.54518011140890 0.75000000000000 0.31282250875141 32.065 > 12 70 S 0.54518011140890 0.08333333333333 0.81282250875141 32.065 > 12 71 S 0.54518011140890 0.41666666666667 0.81282250875141 32.065 > 12 72 S 0.54518011140890 0.75000000000000 0.81282250875141 32.065 > 12 *73 Ho 0.80671826446889 0.08333333333333 0.49896906474361 164.930 > 13 74 Ho 0.80671826446889 0.41666666666667 0.49896906474361 164.930 > 13 75 Ho 0.80671826446889 0.75000000000000 0.49896906474361 164.930 > 13 76 Ho 0.80671826446889 0.08333333333333 0.99896906474361 164.930 > 13 77 Ho 0.80671826446889 0.41666666666667 0.99896906474361 164.930 > 13 78 Ho 0.80671826446889 0.75000000000000 0.99896906474361 164.930 > 13 79 Ho 0.19328173553111 0.25000000000000 0.00103093525639 164.930 > 14 80 Ho 0.19328173553111 0.58333333333333 0.00103093525639 164.930 > 14 81 Ho 0.19328173553111 0.91666666666667 0.00103093525639 164.930 > 14 82 Ho 0.19328173553111 0.25000000000000 0.50103093525639 164.930 > 14 83 Ho 0.19328173553111 0.58333333333333 0.50103093525639 164.930 > 14 84 Ho 0.19328173553111 0.91666666666667 0.50103093525639 164.930 > 14 85 Ho 0.69328173553111 0.25000000000000 0.24896906474361 164.930 > 15 86 Ho 0.69328173553111 0.58333333333333 0.24896906474361 164.930 > 15 87 Ho 0.69328173553111 0.91666666666667 0.24896906474361 164.930 > 15 88 Ho 0.69328173553111 0.25000000000000 0.74896906474361 164.930 > 15 89 Ho 0.69328173553111 0.58333333333333 0.74896906474361 164.930 > 15 90 Ho 0.69328173553111 0.91666666666667 0.74896906474361 164.930 > 15 91 Ho 0.30671826446889 0.08333333333333 0.25103093525639 164.930 > 16 92 Ho 0.30671826446889 0.41666666666667 0.25103093525639 164.930 > 16 93 Ho 0.30671826446889 0.75000000000000 0.25103093525639 164.930 > 16 94 Ho 0.30671826446889 0.08333333333333 0.75103093525639 164.930 > 16 95 Ho 0.30671826446889 0.41666666666667 0.75103093525639 164.930 > 16 96 Ho 0.30671826446889 0.75000000000000 0.75103093525639 164.930 > 16 *97 Ho 0.48903402274187 0.08333333333333 0.09342059994940 164.930 > 17 98 Ho 0.48903402274187 0.41666666666667 0.09342059994940 164.930 > 17 99 Ho 0.48903402274187 0.75000000000000 0.09342059994940 164.930 > 17 100 Ho 0.48903402274187 0.08333333333333 0.59342059994940 164.930 > 17 101 Ho 0.48903402274187 0.41666666666667 0.59342059994940 164.930 > 17 102 Ho 0.48903402274187 0.75000000000000 0.59342059994940 164.930 > 17 103 Ho 0.51096597725813 0.25000000000000 0.40657940005060 164.930 > 18 104 Ho 0.51096597725813 0.58333333333333 0.40657940005060 164.930 > 18 105 Ho 0.51096597725813 0.91666666666667 0.40657940005060 164.930 > 18 106 Ho 0.51096597725813 0.25000000000000 0.90657940005060 164.930 > 18 107 Ho 0.51096597725813 0.58333333333333 0.90657940005060 164.930 > 18 108 Ho 0.51096597725813 0.91666666666667 0.90657940005060 164.930 > 18 109 Ho 0.01096597725813 0.25000000000000 0.34342059994940 164.930 > 19 110 Ho 0.01096597725813 0.58333333333333 0.34342059994940 164.930 > 19 111 Ho 0.01096597725813 0.91666666666667 0.34342059994940 164.930 > 19 112 Ho 0.01096597725813 0.25000000000000 0.84342059994940 164.930 > 19 113 Ho 0.01096597725813 0.58333333333333 0.84342059994940 164.930 > 19 114 Ho 0.01096597725813 0.91666666666667 0.84342059994940 164.930 > 19 115 Ho 0.98903402274187 0.08333333333333 0.15657940005060 164.930 > 20 116 Ho 0.98903402274187 0.41666666666667 0.15657940005060 164.930 > 20 117 Ho 0.98903402274187 0.75000000000000 0.15657940005060 164.930 > 20 118 Ho 0.98903402274187 0.08333333333333 0.65657940005060 164.930 > 20 119 Ho 0.98903402274187 0.41666666666667 0.65657940005060 164.930 > 20 120 Ho 0.98903402274187 0.75000000000000 0.65657940005060 164.930 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0242138 0.0000000 0.0000000 0.0000000 8.9414208 0.0000000 0.0000000 0.0000000 9.2353521 -------------------------- Born effective charges -------------------------- 1 S -3.1141426 0.0000000 -0.0502101 0.0000000 -2.1693688 0.0000000 -0.0458341 0.0000000 -2.8166789 2 S -3.1141426 0.0000000 -0.0502101 0.0000000 -2.1693688 0.0000000 -0.0458341 0.0000000 -2.8166789 3 S -3.1141426 0.0000000 0.0502101 0.0000000 -2.1693688 0.0000000 0.0458341 0.0000000 -2.8166789 4 S -3.1141426 0.0000000 0.0502101 0.0000000 -2.1693688 0.0000000 0.0458341 0.0000000 -2.8166789 5 S -2.4161839 0.0000000 0.4097588 0.0000000 -2.7552795 0.0000000 0.4089934 0.0000000 -2.1635289 6 S -2.4161839 0.0000000 0.4097588 0.0000000 -2.7552795 0.0000000 0.4089934 0.0000000 -2.1635289 7 S -2.4161839 0.0000000 -0.4097588 0.0000000 -2.7552795 0.0000000 -0.4089934 0.0000000 -2.1635289 8 S -2.4161839 0.0000000 -0.4097588 0.0000000 -2.7552795 0.0000000 -0.4089934 0.0000000 -2.1635289 9 S -2.2273105 0.0000000 -0.6302133 0.0000000 -3.0333711 0.0000000 -0.2545212 0.0000000 -2.5787439 10 S -2.2273105 0.0000000 -0.6302133 0.0000000 -3.0333711 0.0000000 -0.2545212 0.0000000 -2.5787439 11 S -2.2273105 0.0000000 0.6302133 0.0000000 -3.0333711 0.0000000 0.2545212 0.0000000 -2.5787439 12 S -2.2273105 0.0000000 0.6302133 0.0000000 -3.0333711 0.0000000 0.2545212 0.0000000 -2.5787439 13 Ho 3.4877689 0.0000000 0.0440086 0.0000000 4.2524515 0.0000000 -0.2277798 0.0000000 3.6269302 14 Ho 3.4877689 0.0000000 0.0440086 0.0000000 4.2524515 0.0000000 -0.2277798 0.0000000 3.6269302 15 Ho 3.4877689 0.0000000 -0.0440086 0.0000000 4.2524515 0.0000000 0.2277798 0.0000000 3.6269302 16 Ho 3.4877689 0.0000000 -0.0440086 0.0000000 4.2524515 0.0000000 0.2277798 0.0000000 3.6269302 17 Ho 4.2698681 0.0000000 -0.3042917 0.0000000 3.7055679 0.0000000 0.4110480 0.0000000 3.9320216 18 Ho 4.2698681 0.0000000 -0.3042917 0.0000000 3.7055679 0.0000000 0.4110480 0.0000000 3.9320216 19 Ho 4.2698681 0.0000000 0.3042917 0.0000000 3.7055679 0.0000000 -0.4110480 0.0000000 3.9320216 20 Ho 4.2698681 0.0000000 0.3042917 0.0000000 3.7055679 0.0000000 -0.4110480 0.0000000 3.9320216 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.184 Solver_block: 200 / 320 - Time: 2.130 Solver_block: 300 / 320 - Time: 2.131 Solver_block: 320 / 320 - Time: 0.529 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.011 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:06:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:06:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.477174509999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.802071269999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.217898340000000 Atomic positions (fractional): 1 S 0.72812429770662 0.25000000000000 0.30158383982785 32.065 2 S 0.27187570229338 0.75000000000000 0.69841616017215 32.065 3 S 0.77187570229338 0.75000000000000 0.80158383982785 32.065 4 S 0.22812429770662 0.25000000000000 0.19841616017215 32.065 5 S 0.37991709263685 0.25000000000000 0.94400911536841 32.065 6 S 0.62008290736315 0.75000000000000 0.05599088463159 32.065 7 S 0.12008290736315 0.75000000000000 0.44400911536841 32.065 8 S 0.87991709263685 0.25000000000000 0.55599088463159 32.065 9 S 0.04518011140890 0.25000000000000 0.87435498249718 32.065 10 S 0.95481988859110 0.75000000000000 0.12564501750282 32.065 11 S 0.45481988859110 0.75000000000000 0.37435498249718 32.065 12 S 0.54518011140890 0.25000000000000 0.62564501750282 32.065 13 Ho 0.80671826446889 0.25000000000000 0.99793812948721 164.930 14 Ho 0.19328173553111 0.75000000000000 0.00206187051279 164.930 15 Ho 0.69328173553111 0.75000000000000 0.49793812948721 164.930 16 Ho 0.30671826446889 0.25000000000000 0.50206187051279 164.930 17 Ho 0.48903402274187 0.25000000000000 0.18684119989880 164.930 18 Ho 0.51096597725813 0.75000000000000 0.81315880010120 164.930 19 Ho 0.01096597725813 0.75000000000000 0.68684119989880 164.930 20 Ho 0.98903402274187 0.25000000000000 0.31315880010120 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.477174509999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.406213809999997 0.000000000000000 c 0.000000000000000 0.000000000000000 20.435796679999999 Atomic positions (fractional): 1 S 0.72812429770662 0.08333333333333 0.15079191991392 32.065 > 1 2 S 0.72812429770662 0.41666666666667 0.15079191991392 32.065 > 1 3 S 0.72812429770662 0.75000000000000 0.15079191991392 32.065 > 1 4 S 0.72812429770662 0.08333333333333 0.65079191991392 32.065 > 1 5 S 0.72812429770662 0.41666666666667 0.65079191991392 32.065 > 1 6 S 0.72812429770662 0.75000000000000 0.65079191991392 32.065 > 1 7 S 0.27187570229338 0.25000000000000 0.34920808008608 32.065 > 7 8 S 0.27187570229338 0.58333333333333 0.34920808008608 32.065 > 7 9 S 0.27187570229338 0.91666666666667 0.34920808008608 32.065 > 7 10 S 0.27187570229338 0.25000000000000 0.84920808008608 32.065 > 7 11 S 0.27187570229338 0.58333333333333 0.84920808008608 32.065 > 7 12 S 0.27187570229338 0.91666666666667 0.84920808008608 32.065 > 7 13 S 0.77187570229338 0.25000000000000 0.40079191991392 32.065 > 13 14 S 0.77187570229338 0.58333333333333 0.40079191991392 32.065 > 13 15 S 0.77187570229338 0.91666666666667 0.40079191991392 32.065 > 13 16 S 0.77187570229338 0.25000000000000 0.90079191991392 32.065 > 13 17 S 0.77187570229338 0.58333333333333 0.90079191991392 32.065 > 13 18 S 0.77187570229338 0.91666666666667 0.90079191991392 32.065 > 13 19 S 0.22812429770662 0.08333333333333 0.09920808008608 32.065 > 19 20 S 0.22812429770662 0.41666666666667 0.09920808008608 32.065 > 19 21 S 0.22812429770662 0.75000000000000 0.09920808008608 32.065 > 19 22 S 0.22812429770662 0.08333333333333 0.59920808008608 32.065 > 19 23 S 0.22812429770662 0.41666666666667 0.59920808008608 32.065 > 19 24 S 0.22812429770662 0.75000000000000 0.59920808008608 32.065 > 19 25 S 0.37991709263685 0.08333333333333 0.47200455768420 32.065 > 25 26 S 0.37991709263685 0.41666666666667 0.47200455768420 32.065 > 25 27 S 0.37991709263685 0.75000000000000 0.47200455768420 32.065 > 25 28 S 0.37991709263685 0.08333333333333 0.97200455768420 32.065 > 25 29 S 0.37991709263685 0.41666666666667 0.97200455768420 32.065 > 25 30 S 0.37991709263685 0.75000000000000 0.97200455768420 32.065 > 25 31 S 0.62008290736315 0.25000000000000 0.02799544231580 32.065 > 31 32 S 0.62008290736315 0.58333333333333 0.02799544231580 32.065 > 31 33 S 0.62008290736315 0.91666666666667 0.02799544231580 32.065 > 31 34 S 0.62008290736315 0.25000000000000 0.52799544231580 32.065 > 31 35 S 0.62008290736315 0.58333333333333 0.52799544231580 32.065 > 31 36 S 0.62008290736315 0.91666666666667 0.52799544231580 32.065 > 31 37 S 0.12008290736315 0.25000000000000 0.22200455768420 32.065 > 37 38 S 0.12008290736315 0.58333333333333 0.22200455768420 32.065 > 37 39 S 0.12008290736315 0.91666666666667 0.22200455768420 32.065 > 37 40 S 0.12008290736315 0.25000000000000 0.72200455768420 32.065 > 37 41 S 0.12008290736315 0.58333333333333 0.72200455768420 32.065 > 37 42 S 0.12008290736315 0.91666666666667 0.72200455768420 32.065 > 37 43 S 0.87991709263685 0.08333333333333 0.27799544231580 32.065 > 43 44 S 0.87991709263685 0.41666666666667 0.27799544231580 32.065 > 43 45 S 0.87991709263685 0.75000000000000 0.27799544231580 32.065 > 43 46 S 0.87991709263685 0.08333333333333 0.77799544231580 32.065 > 43 47 S 0.87991709263685 0.41666666666667 0.77799544231580 32.065 > 43 48 S 0.87991709263685 0.75000000000000 0.77799544231580 32.065 > 43 49 S 0.04518011140890 0.08333333333333 0.43717749124859 32.065 > 49 50 S 0.04518011140890 0.41666666666667 0.43717749124859 32.065 > 49 51 S 0.04518011140890 0.75000000000000 0.43717749124859 32.065 > 49 52 S 0.04518011140890 0.08333333333333 0.93717749124859 32.065 > 49 53 S 0.04518011140890 0.41666666666667 0.93717749124859 32.065 > 49 54 S 0.04518011140890 0.75000000000000 0.93717749124859 32.065 > 49 55 S 0.95481988859110 0.25000000000000 0.06282250875141 32.065 > 55 56 S 0.95481988859110 0.58333333333333 0.06282250875141 32.065 > 55 57 S 0.95481988859110 0.91666666666667 0.06282250875141 32.065 > 55 58 S 0.95481988859110 0.25000000000000 0.56282250875141 32.065 > 55 59 S 0.95481988859110 0.58333333333333 0.56282250875141 32.065 > 55 60 S 0.95481988859110 0.91666666666667 0.56282250875141 32.065 > 55 61 S 0.45481988859110 0.25000000000000 0.18717749124859 32.065 > 61 62 S 0.45481988859110 0.58333333333333 0.18717749124859 32.065 > 61 63 S 0.45481988859110 0.91666666666667 0.18717749124859 32.065 > 61 64 S 0.45481988859110 0.25000000000000 0.68717749124859 32.065 > 61 65 S 0.45481988859110 0.58333333333333 0.68717749124859 32.065 > 61 66 S 0.45481988859110 0.91666666666667 0.68717749124859 32.065 > 61 67 S 0.54518011140890 0.08333333333333 0.31282250875141 32.065 > 67 68 S 0.54518011140890 0.41666666666667 0.31282250875141 32.065 > 67 69 S 0.54518011140890 0.75000000000000 0.31282250875141 32.065 > 67 70 S 0.54518011140890 0.08333333333333 0.81282250875141 32.065 > 67 71 S 0.54518011140890 0.41666666666667 0.81282250875141 32.065 > 67 72 S 0.54518011140890 0.75000000000000 0.81282250875141 32.065 > 67 73 Ho 0.80671826446889 0.08333333333333 0.49896906474361 164.930 > 73 74 Ho 0.80671826446889 0.41666666666667 0.49896906474361 164.930 > 73 75 Ho 0.80671826446889 0.75000000000000 0.49896906474361 164.930 > 73 76 Ho 0.80671826446889 0.08333333333333 0.99896906474361 164.930 > 73 77 Ho 0.80671826446889 0.41666666666667 0.99896906474361 164.930 > 73 78 Ho 0.80671826446889 0.75000000000000 0.99896906474361 164.930 > 73 79 Ho 0.19328173553111 0.25000000000000 0.00103093525639 164.930 > 79 80 Ho 0.19328173553111 0.58333333333333 0.00103093525639 164.930 > 79 81 Ho 0.19328173553111 0.91666666666667 0.00103093525639 164.930 > 79 82 Ho 0.19328173553111 0.25000000000000 0.50103093525639 164.930 > 79 83 Ho 0.19328173553111 0.58333333333333 0.50103093525639 164.930 > 79 84 Ho 0.19328173553111 0.91666666666667 0.50103093525639 164.930 > 79 85 Ho 0.69328173553111 0.25000000000000 0.24896906474361 164.930 > 85 86 Ho 0.69328173553111 0.58333333333333 0.24896906474361 164.930 > 85 87 Ho 0.69328173553111 0.91666666666667 0.24896906474361 164.930 > 85 88 Ho 0.69328173553111 0.25000000000000 0.74896906474361 164.930 > 85 89 Ho 0.69328173553111 0.58333333333333 0.74896906474361 164.930 > 85 90 Ho 0.69328173553111 0.91666666666667 0.74896906474361 164.930 > 85 91 Ho 0.30671826446889 0.08333333333333 0.25103093525639 164.930 > 91 92 Ho 0.30671826446889 0.41666666666667 0.25103093525639 164.930 > 91 93 Ho 0.30671826446889 0.75000000000000 0.25103093525639 164.930 > 91 94 Ho 0.30671826446889 0.08333333333333 0.75103093525639 164.930 > 91 95 Ho 0.30671826446889 0.41666666666667 0.75103093525639 164.930 > 91 96 Ho 0.30671826446889 0.75000000000000 0.75103093525639 164.930 > 91 97 Ho 0.48903402274187 0.08333333333333 0.09342059994940 164.930 > 97 98 Ho 0.48903402274187 0.41666666666667 0.09342059994940 164.930 > 97 99 Ho 0.48903402274187 0.75000000000000 0.09342059994940 164.930 > 97 100 Ho 0.48903402274187 0.08333333333333 0.59342059994940 164.930 > 97 101 Ho 0.48903402274187 0.41666666666667 0.59342059994940 164.930 > 97 102 Ho 0.48903402274187 0.75000000000000 0.59342059994940 164.930 > 97 103 Ho 0.51096597725813 0.25000000000000 0.40657940005060 164.930 > 103 104 Ho 0.51096597725813 0.58333333333333 0.40657940005060 164.930 > 103 105 Ho 0.51096597725813 0.91666666666667 0.40657940005060 164.930 > 103 106 Ho 0.51096597725813 0.25000000000000 0.90657940005060 164.930 > 103 107 Ho 0.51096597725813 0.58333333333333 0.90657940005060 164.930 > 103 108 Ho 0.51096597725813 0.91666666666667 0.90657940005060 164.930 > 103 109 Ho 0.01096597725813 0.25000000000000 0.34342059994940 164.930 > 109 110 Ho 0.01096597725813 0.58333333333333 0.34342059994940 164.930 > 109 111 Ho 0.01096597725813 0.91666666666667 0.34342059994940 164.930 > 109 112 Ho 0.01096597725813 0.25000000000000 0.84342059994940 164.930 > 109 113 Ho 0.01096597725813 0.58333333333333 0.84342059994940 164.930 > 109 114 Ho 0.01096597725813 0.91666666666667 0.84342059994940 164.930 > 109 115 Ho 0.98903402274187 0.08333333333333 0.15657940005060 164.930 > 115 116 Ho 0.98903402274187 0.41666666666667 0.15657940005060 164.930 > 115 117 Ho 0.98903402274187 0.75000000000000 0.15657940005060 164.930 > 115 118 Ho 0.98903402274187 0.08333333333333 0.65657940005060 164.930 > 115 119 Ho 0.98903402274187 0.41666666666667 0.65657940005060 164.930 > 115 120 Ho 0.98903402274187 0.75000000000000 0.65657940005060 164.930 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0242138 0.0000000 0.0000000 0.0000000 8.9414208 0.0000000 0.0000000 0.0000000 9.2353521 -------------------------- Born effective charges -------------------------- 1 S -3.1141426 0.0000000 -0.0502101 0.0000000 -2.1693688 0.0000000 -0.0458341 0.0000000 -2.8166789 2 S -3.1141426 0.0000000 -0.0502101 0.0000000 -2.1693688 0.0000000 -0.0458341 0.0000000 -2.8166789 3 S -3.1141426 0.0000000 0.0502101 0.0000000 -2.1693688 0.0000000 0.0458341 0.0000000 -2.8166789 4 S -3.1141426 0.0000000 0.0502101 0.0000000 -2.1693688 0.0000000 0.0458341 0.0000000 -2.8166789 5 S -2.4161839 0.0000000 0.4097588 0.0000000 -2.7552795 0.0000000 0.4089934 0.0000000 -2.1635289 6 S -2.4161839 0.0000000 0.4097588 0.0000000 -2.7552795 0.0000000 0.4089934 0.0000000 -2.1635289 7 S -2.4161839 0.0000000 -0.4097588 0.0000000 -2.7552795 0.0000000 -0.4089934 0.0000000 -2.1635289 8 S -2.4161839 0.0000000 -0.4097588 0.0000000 -2.7552795 0.0000000 -0.4089934 0.0000000 -2.1635289 9 S -2.2273105 0.0000000 -0.6302133 0.0000000 -3.0333711 0.0000000 -0.2545212 0.0000000 -2.5787439 10 S -2.2273105 0.0000000 -0.6302133 0.0000000 -3.0333711 0.0000000 -0.2545212 0.0000000 -2.5787439 11 S -2.2273105 0.0000000 0.6302133 0.0000000 -3.0333711 0.0000000 0.2545212 0.0000000 -2.5787439 12 S -2.2273105 0.0000000 0.6302133 0.0000000 -3.0333711 0.0000000 0.2545212 0.0000000 -2.5787439 13 Ho 3.4877689 0.0000000 0.0440086 0.0000000 4.2524515 0.0000000 -0.2277798 0.0000000 3.6269302 14 Ho 3.4877689 0.0000000 0.0440086 0.0000000 4.2524515 0.0000000 -0.2277798 0.0000000 3.6269302 15 Ho 3.4877689 0.0000000 -0.0440086 0.0000000 4.2524515 0.0000000 0.2277798 0.0000000 3.6269302 16 Ho 3.4877689 0.0000000 -0.0440086 0.0000000 4.2524515 0.0000000 0.2277798 0.0000000 3.6269302 17 Ho 4.2698681 0.0000000 -0.3042917 0.0000000 3.7055679 0.0000000 0.4110480 0.0000000 3.9320216 18 Ho 4.2698681 0.0000000 -0.3042917 0.0000000 3.7055679 0.0000000 0.4110480 0.0000000 3.9320216 19 Ho 4.2698681 0.0000000 0.3042917 0.0000000 3.7055679 0.0000000 -0.4110480 0.0000000 3.9320216 20 Ho 4.2698681 0.0000000 0.3042917 0.0000000 3.7055679 0.0000000 -0.4110480 0.0000000 3.9320216 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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[ 97, 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 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:06:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:06:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.477174509999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.802071269999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.217898340000000 Atomic positions (fractional): 1 S 0.72812429770662 0.25000000000000 0.30158383982785 32.065 2 S 0.27187570229338 0.75000000000000 0.69841616017215 32.065 3 S 0.77187570229338 0.75000000000000 0.80158383982785 32.065 4 S 0.22812429770662 0.25000000000000 0.19841616017215 32.065 5 S 0.37991709263685 0.25000000000000 0.94400911536841 32.065 6 S 0.62008290736315 0.75000000000000 0.05599088463159 32.065 7 S 0.12008290736315 0.75000000000000 0.44400911536841 32.065 8 S 0.87991709263685 0.25000000000000 0.55599088463159 32.065 9 S 0.04518011140890 0.25000000000000 0.87435498249718 32.065 10 S 0.95481988859110 0.75000000000000 0.12564501750282 32.065 11 S 0.45481988859110 0.75000000000000 0.37435498249718 32.065 12 S 0.54518011140890 0.25000000000000 0.62564501750282 32.065 13 Ho 0.80671826446889 0.25000000000000 0.99793812948721 164.930 14 Ho 0.19328173553111 0.75000000000000 0.00206187051279 164.930 15 Ho 0.69328173553111 0.75000000000000 0.49793812948721 164.930 16 Ho 0.30671826446889 0.25000000000000 0.50206187051279 164.930 17 Ho 0.48903402274187 0.25000000000000 0.18684119989880 164.930 18 Ho 0.51096597725813 0.75000000000000 0.81315880010120 164.930 19 Ho 0.01096597725813 0.75000000000000 0.68684119989880 164.930 20 Ho 0.98903402274187 0.25000000000000 0.31315880010120 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.477174509999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.406213809999997 0.000000000000000 c 0.000000000000000 0.000000000000000 20.435796679999999 Atomic positions (fractional): 1 S 0.72812429770662 0.08333333333333 0.15079191991392 32.065 > 1 2 S 0.72812429770662 0.41666666666667 0.15079191991392 32.065 > 1 3 S 0.72812429770662 0.75000000000000 0.15079191991392 32.065 > 1 4 S 0.72812429770662 0.08333333333333 0.65079191991392 32.065 > 1 5 S 0.72812429770662 0.41666666666667 0.65079191991392 32.065 > 1 6 S 0.72812429770662 0.75000000000000 0.65079191991392 32.065 > 1 7 S 0.27187570229338 0.25000000000000 0.34920808008608 32.065 > 7 8 S 0.27187570229338 0.58333333333333 0.34920808008608 32.065 > 7 9 S 0.27187570229338 0.91666666666667 0.34920808008608 32.065 > 7 10 S 0.27187570229338 0.25000000000000 0.84920808008608 32.065 > 7 11 S 0.27187570229338 0.58333333333333 0.84920808008608 32.065 > 7 12 S 0.27187570229338 0.91666666666667 0.84920808008608 32.065 > 7 13 S 0.77187570229338 0.25000000000000 0.40079191991392 32.065 > 13 14 S 0.77187570229338 0.58333333333333 0.40079191991392 32.065 > 13 15 S 0.77187570229338 0.91666666666667 0.40079191991392 32.065 > 13 16 S 0.77187570229338 0.25000000000000 0.90079191991392 32.065 > 13 17 S 0.77187570229338 0.58333333333333 0.90079191991392 32.065 > 13 18 S 0.77187570229338 0.91666666666667 0.90079191991392 32.065 > 13 19 S 0.22812429770662 0.08333333333333 0.09920808008608 32.065 > 19 20 S 0.22812429770662 0.41666666666667 0.09920808008608 32.065 > 19 21 S 0.22812429770662 0.75000000000000 0.09920808008608 32.065 > 19 22 S 0.22812429770662 0.08333333333333 0.59920808008608 32.065 > 19 23 S 0.22812429770662 0.41666666666667 0.59920808008608 32.065 > 19 24 S 0.22812429770662 0.75000000000000 0.59920808008608 32.065 > 19 25 S 0.37991709263685 0.08333333333333 0.47200455768420 32.065 > 25 26 S 0.37991709263685 0.41666666666667 0.47200455768420 32.065 > 25 27 S 0.37991709263685 0.75000000000000 0.47200455768420 32.065 > 25 28 S 0.37991709263685 0.08333333333333 0.97200455768420 32.065 > 25 29 S 0.37991709263685 0.41666666666667 0.97200455768420 32.065 > 25 30 S 0.37991709263685 0.75000000000000 0.97200455768420 32.065 > 25 31 S 0.62008290736315 0.25000000000000 0.02799544231580 32.065 > 31 32 S 0.62008290736315 0.58333333333333 0.02799544231580 32.065 > 31 33 S 0.62008290736315 0.91666666666667 0.02799544231580 32.065 > 31 34 S 0.62008290736315 0.25000000000000 0.52799544231580 32.065 > 31 35 S 0.62008290736315 0.58333333333333 0.52799544231580 32.065 > 31 36 S 0.62008290736315 0.91666666666667 0.52799544231580 32.065 > 31 37 S 0.12008290736315 0.25000000000000 0.22200455768420 32.065 > 37 38 S 0.12008290736315 0.58333333333333 0.22200455768420 32.065 > 37 39 S 0.12008290736315 0.91666666666667 0.22200455768420 32.065 > 37 40 S 0.12008290736315 0.25000000000000 0.72200455768420 32.065 > 37 41 S 0.12008290736315 0.58333333333333 0.72200455768420 32.065 > 37 42 S 0.12008290736315 0.91666666666667 0.72200455768420 32.065 > 37 43 S 0.87991709263685 0.08333333333333 0.27799544231580 32.065 > 43 44 S 0.87991709263685 0.41666666666667 0.27799544231580 32.065 > 43 45 S 0.87991709263685 0.75000000000000 0.27799544231580 32.065 > 43 46 S 0.87991709263685 0.08333333333333 0.77799544231580 32.065 > 43 47 S 0.87991709263685 0.41666666666667 0.77799544231580 32.065 > 43 48 S 0.87991709263685 0.75000000000000 0.77799544231580 32.065 > 43 49 S 0.04518011140890 0.08333333333333 0.43717749124859 32.065 > 49 50 S 0.04518011140890 0.41666666666667 0.43717749124859 32.065 > 49 51 S 0.04518011140890 0.75000000000000 0.43717749124859 32.065 > 49 52 S 0.04518011140890 0.08333333333333 0.93717749124859 32.065 > 49 53 S 0.04518011140890 0.41666666666667 0.93717749124859 32.065 > 49 54 S 0.04518011140890 0.75000000000000 0.93717749124859 32.065 > 49 55 S 0.95481988859110 0.25000000000000 0.06282250875141 32.065 > 55 56 S 0.95481988859110 0.58333333333333 0.06282250875141 32.065 > 55 57 S 0.95481988859110 0.91666666666667 0.06282250875141 32.065 > 55 58 S 0.95481988859110 0.25000000000000 0.56282250875141 32.065 > 55 59 S 0.95481988859110 0.58333333333333 0.56282250875141 32.065 > 55 60 S 0.95481988859110 0.91666666666667 0.56282250875141 32.065 > 55 61 S 0.45481988859110 0.25000000000000 0.18717749124859 32.065 > 61 62 S 0.45481988859110 0.58333333333333 0.18717749124859 32.065 > 61 63 S 0.45481988859110 0.91666666666667 0.18717749124859 32.065 > 61 64 S 0.45481988859110 0.25000000000000 0.68717749124859 32.065 > 61 65 S 0.45481988859110 0.58333333333333 0.68717749124859 32.065 > 61 66 S 0.45481988859110 0.91666666666667 0.68717749124859 32.065 > 61 67 S 0.54518011140890 0.08333333333333 0.31282250875141 32.065 > 67 68 S 0.54518011140890 0.41666666666667 0.31282250875141 32.065 > 67 69 S 0.54518011140890 0.75000000000000 0.31282250875141 32.065 > 67 70 S 0.54518011140890 0.08333333333333 0.81282250875141 32.065 > 67 71 S 0.54518011140890 0.41666666666667 0.81282250875141 32.065 > 67 72 S 0.54518011140890 0.75000000000000 0.81282250875141 32.065 > 67 73 Ho 0.80671826446889 0.08333333333333 0.49896906474361 164.930 > 73 74 Ho 0.80671826446889 0.41666666666667 0.49896906474361 164.930 > 73 75 Ho 0.80671826446889 0.75000000000000 0.49896906474361 164.930 > 73 76 Ho 0.80671826446889 0.08333333333333 0.99896906474361 164.930 > 73 77 Ho 0.80671826446889 0.41666666666667 0.99896906474361 164.930 > 73 78 Ho 0.80671826446889 0.75000000000000 0.99896906474361 164.930 > 73 79 Ho 0.19328173553111 0.25000000000000 0.00103093525639 164.930 > 79 80 Ho 0.19328173553111 0.58333333333333 0.00103093525639 164.930 > 79 81 Ho 0.19328173553111 0.91666666666667 0.00103093525639 164.930 > 79 82 Ho 0.19328173553111 0.25000000000000 0.50103093525639 164.930 > 79 83 Ho 0.19328173553111 0.58333333333333 0.50103093525639 164.930 > 79 84 Ho 0.19328173553111 0.91666666666667 0.50103093525639 164.930 > 79 85 Ho 0.69328173553111 0.25000000000000 0.24896906474361 164.930 > 85 86 Ho 0.69328173553111 0.58333333333333 0.24896906474361 164.930 > 85 87 Ho 0.69328173553111 0.91666666666667 0.24896906474361 164.930 > 85 88 Ho 0.69328173553111 0.25000000000000 0.74896906474361 164.930 > 85 89 Ho 0.69328173553111 0.58333333333333 0.74896906474361 164.930 > 85 90 Ho 0.69328173553111 0.91666666666667 0.74896906474361 164.930 > 85 91 Ho 0.30671826446889 0.08333333333333 0.25103093525639 164.930 > 91 92 Ho 0.30671826446889 0.41666666666667 0.25103093525639 164.930 > 91 93 Ho 0.30671826446889 0.75000000000000 0.25103093525639 164.930 > 91 94 Ho 0.30671826446889 0.08333333333333 0.75103093525639 164.930 > 91 95 Ho 0.30671826446889 0.41666666666667 0.75103093525639 164.930 > 91 96 Ho 0.30671826446889 0.75000000000000 0.75103093525639 164.930 > 91 97 Ho 0.48903402274187 0.08333333333333 0.09342059994940 164.930 > 97 98 Ho 0.48903402274187 0.41666666666667 0.09342059994940 164.930 > 97 99 Ho 0.48903402274187 0.75000000000000 0.09342059994940 164.930 > 97 100 Ho 0.48903402274187 0.08333333333333 0.59342059994940 164.930 > 97 101 Ho 0.48903402274187 0.41666666666667 0.59342059994940 164.930 > 97 102 Ho 0.48903402274187 0.75000000000000 0.59342059994940 164.930 > 97 103 Ho 0.51096597725813 0.25000000000000 0.40657940005060 164.930 > 103 104 Ho 0.51096597725813 0.58333333333333 0.40657940005060 164.930 > 103 105 Ho 0.51096597725813 0.91666666666667 0.40657940005060 164.930 > 103 106 Ho 0.51096597725813 0.25000000000000 0.90657940005060 164.930 > 103 107 Ho 0.51096597725813 0.58333333333333 0.90657940005060 164.930 > 103 108 Ho 0.51096597725813 0.91666666666667 0.90657940005060 164.930 > 103 109 Ho 0.01096597725813 0.25000000000000 0.34342059994940 164.930 > 109 110 Ho 0.01096597725813 0.58333333333333 0.34342059994940 164.930 > 109 111 Ho 0.01096597725813 0.91666666666667 0.34342059994940 164.930 > 109 112 Ho 0.01096597725813 0.25000000000000 0.84342059994940 164.930 > 109 113 Ho 0.01096597725813 0.58333333333333 0.84342059994940 164.930 > 109 114 Ho 0.01096597725813 0.91666666666667 0.84342059994940 164.930 > 109 115 Ho 0.98903402274187 0.08333333333333 0.15657940005060 164.930 > 115 116 Ho 0.98903402274187 0.41666666666667 0.15657940005060 164.930 > 115 117 Ho 0.98903402274187 0.75000000000000 0.15657940005060 164.930 > 115 118 Ho 0.98903402274187 0.08333333333333 0.65657940005060 164.930 > 115 119 Ho 0.98903402274187 0.41666666666667 0.65657940005060 164.930 > 115 120 Ho 0.98903402274187 0.75000000000000 0.65657940005060 164.930 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.0242138 0.0000000 0.0000000 0.0000000 8.9414208 0.0000000 0.0000000 0.0000000 9.2353521 -------------------------- Born effective charges -------------------------- 1 S -3.1141426 0.0000000 -0.0502101 0.0000000 -2.1693688 0.0000000 -0.0458341 0.0000000 -2.8166789 2 S -3.1141426 0.0000000 -0.0502101 0.0000000 -2.1693688 0.0000000 -0.0458341 0.0000000 -2.8166789 3 S -3.1141426 0.0000000 0.0502101 0.0000000 -2.1693688 0.0000000 0.0458341 0.0000000 -2.8166789 4 S -3.1141426 0.0000000 0.0502101 0.0000000 -2.1693688 0.0000000 0.0458341 0.0000000 -2.8166789 5 S -2.4161839 0.0000000 0.4097588 0.0000000 -2.7552795 0.0000000 0.4089934 0.0000000 -2.1635289 6 S -2.4161839 0.0000000 0.4097588 0.0000000 -2.7552795 0.0000000 0.4089934 0.0000000 -2.1635289 7 S -2.4161839 0.0000000 -0.4097588 0.0000000 -2.7552795 0.0000000 -0.4089934 0.0000000 -2.1635289 8 S -2.4161839 0.0000000 -0.4097588 0.0000000 -2.7552795 0.0000000 -0.4089934 0.0000000 -2.1635289 9 S -2.2273105 0.0000000 -0.6302133 0.0000000 -3.0333711 0.0000000 -0.2545212 0.0000000 -2.5787439 10 S -2.2273105 0.0000000 -0.6302133 0.0000000 -3.0333711 0.0000000 -0.2545212 0.0000000 -2.5787439 11 S -2.2273105 0.0000000 0.6302133 0.0000000 -3.0333711 0.0000000 0.2545212 0.0000000 -2.5787439 12 S -2.2273105 0.0000000 0.6302133 0.0000000 -3.0333711 0.0000000 0.2545212 0.0000000 -2.5787439 13 Ho 3.4877689 0.0000000 0.0440086 0.0000000 4.2524515 0.0000000 -0.2277798 0.0000000 3.6269302 14 Ho 3.4877689 0.0000000 0.0440086 0.0000000 4.2524515 0.0000000 -0.2277798 0.0000000 3.6269302 15 Ho 3.4877689 0.0000000 -0.0440086 0.0000000 4.2524515 0.0000000 0.2277798 0.0000000 3.6269302 16 Ho 3.4877689 0.0000000 -0.0440086 0.0000000 4.2524515 0.0000000 0.2277798 0.0000000 3.6269302 17 Ho 4.2698681 0.0000000 -0.3042917 0.0000000 3.7055679 0.0000000 0.4110480 0.0000000 3.9320216 18 Ho 4.2698681 0.0000000 -0.3042917 0.0000000 3.7055679 0.0000000 0.4110480 0.0000000 3.9320216 19 Ho 4.2698681 0.0000000 0.3042917 0.0000000 3.7055679 0.0000000 -0.4110480 0.0000000 3.9320216 20 Ho 4.2698681 0.0000000 0.3042917 0.0000000 3.7055679 0.0000000 -0.4110480 0.0000000 3.9320216 ---------------------------------------------------------------------------- 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 ... [ 5 13 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 297, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 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 1.599 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.526 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 7.018 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.499 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.625 ( 0.000 0.000 0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 7.945 ( 0.000 0.000 0.000) 0.000 7.994 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.562 ( 0.000 0.000 0.000) 0.000 8.605 ( 0.000 0.000 0.000) 0.000 8.842 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.863 ( 0.000 0.000 0.000) 0.000 9.979 ( 0.000 0.000 0.000) 0.000 10.241 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 24.941 0.000 0.000) 24.941 0.507 ( 26.187 0.000 0.000) 26.187 0.945 ( 48.451 0.000 0.000) 48.451 1.679 ( 8.206 0.000 0.000) 8.206 1.713 ( -17.754 0.000 0.000) 17.754 1.795 ( -16.023 0.000 0.000) 16.023 2.139 ( 1.684 0.000 0.000) 1.684 2.297 ( -2.787 0.000 0.000) 2.787 2.345 ( -4.187 0.000 0.000) 4.187 2.363 ( -3.174 0.000 0.000) 3.174 2.453 ( -2.879 0.000 0.000) 2.879 2.469 ( 2.209 0.000 0.000) 2.209 2.508 ( 8.771 0.000 0.000) 8.771 2.590 ( 8.295 0.000 0.000) 8.295 2.631 ( -2.057 0.000 0.000) 2.057 2.808 ( -1.521 0.000 0.000) 1.521 3.229 ( -26.736 0.000 0.000) 26.736 3.313 ( 12.829 0.000 0.000) 12.829 3.507 ( -5.355 0.000 0.000) 5.355 3.770 ( 3.280 0.000 0.000) 3.280 3.790 ( 2.660 0.000 0.000) 2.660 3.932 ( -2.733 0.000 0.000) 2.733 4.189 ( 7.437 0.000 0.000) 7.437 4.678 ( -4.750 0.000 0.000) 4.750 4.961 ( 1.106 0.000 0.000) 1.106 5.052 ( -1.069 0.000 0.000) 1.069 5.307 ( 1.024 0.000 0.000) 1.024 5.390 ( -0.953 0.000 0.000) 0.953 5.493 ( -0.809 0.000 0.000) 0.809 5.664 ( 7.425 0.000 0.000) 7.425 5.666 ( -2.768 0.000 0.000) 2.768 6.157 ( -9.940 0.000 0.000) 9.940 6.429 ( 2.923 0.000 0.000) 2.923 6.605 ( 1.899 0.000 0.000) 1.899 6.919 ( -0.799 0.000 0.000) 0.799 7.005 ( -1.854 0.000 0.000) 1.854 7.124 ( 1.118 0.000 0.000) 1.118 7.171 ( 0.839 0.000 0.000) 0.839 7.271 ( 0.423 0.000 0.000) 0.423 7.294 ( -0.157 0.000 0.000) 0.157 7.429 ( -2.681 0.000 0.000) 2.681 7.464 ( 2.607 0.000 0.000) 2.607 7.503 ( -1.999 0.000 0.000) 1.999 7.630 ( 0.486 0.000 0.000) 0.486 7.660 ( -0.152 0.000 0.000) 0.152 7.698 ( 11.143 0.000 0.000) 11.143 7.932 ( -9.193 0.000 0.000) 9.193 7.954 ( 0.784 0.000 0.000) 0.784 7.992 ( -0.198 0.000 0.000) 0.198 8.243 ( -6.528 0.000 0.000) 6.528 8.362 ( 1.229 0.000 0.000) 1.229 8.422 ( 0.037 0.000 0.000) 0.037 8.705 ( 7.134 0.000 0.000) 7.134 8.843 ( 0.057 0.000 0.000) 0.057 9.314 ( 3.846 0.000 0.000) 3.846 9.382 ( 1.880 0.000 0.000) 1.880 9.666 ( -4.454 0.000 0.000) 4.454 9.809 ( -5.441 0.000 0.000) 5.441 10.034 ( 4.682 0.000 0.000) 4.682 10.231 ( -1.131 0.000 0.000) 1.131 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 22.727 0.000 0.000) 22.727 0.992 ( 24.425 0.000 0.000) 24.425 1.351 ( -19.890 0.000 0.000) 19.890 1.432 ( -21.389 0.000 0.000) 21.389 1.832 ( 43.170 0.000 0.000) 43.170 1.894 ( 13.711 0.000 0.000) 13.711 2.183 ( 2.801 0.000 0.000) 2.801 2.185 ( -14.737 0.000 0.000) 14.737 2.241 ( -3.101 0.000 0.000) 3.101 2.279 ( -2.005 0.000 0.000) 2.005 2.304 ( -3.392 0.000 0.000) 3.392 2.521 ( 3.045 0.000 0.000) 3.045 2.581 ( -3.064 0.000 0.000) 3.064 2.619 ( -36.374 0.000 0.000) 36.374 2.659 ( 6.645 0.000 0.000) 6.645 2.758 ( -3.817 0.000 0.000) 3.817 2.952 ( 20.640 0.000 0.000) 20.640 3.305 ( -15.342 0.000 0.000) 15.342 3.564 ( 12.780 0.000 0.000) 12.780 3.780 ( -8.548 0.000 0.000) 8.548 3.842 ( 2.039 0.000 0.000) 2.039 3.849 ( 0.598 0.000 0.000) 0.598 4.366 ( 9.982 0.000 0.000) 9.982 4.548 ( -8.584 0.000 0.000) 8.584 4.989 ( 1.769 0.000 0.000) 1.769 5.024 ( -1.746 0.000 0.000) 1.746 5.334 ( 1.620 0.000 0.000) 1.620 5.365 ( -1.576 0.000 0.000) 1.576 5.514 ( 2.883 0.000 0.000) 2.883 5.591 ( -4.612 0.000 0.000) 4.612 5.816 ( 8.226 0.000 0.000) 8.226 5.976 ( -8.728 0.000 0.000) 8.728 6.504 ( 4.593 0.000 0.000) 4.593 6.586 ( -3.357 0.000 0.000) 3.357 6.912 ( 0.499 0.000 0.000) 0.499 6.948 ( -3.158 0.000 0.000) 3.158 7.152 ( 1.632 0.000 0.000) 1.632 7.176 ( -0.640 0.000 0.000) 0.640 7.308 ( 2.058 0.000 0.000) 2.058 7.340 ( 5.750 0.000 0.000) 5.750 7.366 ( -3.537 0.000 0.000) 3.537 7.443 ( -4.405 0.000 0.000) 4.405 7.565 ( 7.414 0.000 0.000) 7.414 7.641 ( 0.683 0.000 0.000) 0.683 7.653 ( -0.519 0.000 0.000) 0.519 7.737 ( -10.247 0.000 0.000) 10.247 7.909 ( 10.661 0.000 0.000) 10.661 7.971 ( 0.900 0.000 0.000) 0.900 7.985 ( -0.553 0.000 0.000) 0.553 8.096 ( -8.810 0.000 0.000) 8.810 8.391 ( 1.582 0.000 0.000) 1.582 8.416 ( -0.866 0.000 0.000) 0.866 8.808 ( 3.291 0.000 0.000) 3.291 8.840 ( -0.535 0.000 0.000) 0.535 9.414 ( 5.002 0.000 0.000) 5.002 9.427 ( 2.318 0.000 0.000) 2.318 9.596 ( -1.282 0.000 0.000) 1.282 9.675 ( -7.649 0.000 0.000) 7.649 10.125 ( 4.393 0.000 0.000) 4.393 10.194 ( -2.769 0.000 0.000) 2.769 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 26.526 0.000) 26.526 0.570 ( 0.000 27.913 0.000) 27.913 0.975 ( 0.000 47.590 0.000) 47.590 1.613 ( 0.000 1.825 0.000) 1.825 1.892 ( 0.000 -3.520 0.000) 3.520 2.041 ( 0.000 5.934 0.000) 5.934 2.231 ( 0.000 0.907 0.000) 0.907 2.313 ( 0.000 14.947 0.000) 14.947 2.333 ( 0.000 -0.137 0.000) 0.137 2.398 ( 0.000 3.482 0.000) 3.482 2.433 ( 0.000 -0.009 0.000) 0.009 2.446 ( 0.000 5.547 0.000) 5.547 2.597 ( 0.000 10.998 0.000) 10.998 2.682 ( 0.000 0.401 0.000) 0.401 2.729 ( 0.000 7.008 0.000) 7.008 2.870 ( 0.000 4.431 0.000) 4.431 3.168 ( 0.000 1.906 0.000) 1.906 3.578 ( 0.000 3.944 0.000) 3.944 3.599 ( 0.000 4.193 0.000) 4.193 3.696 ( 0.000 -3.850 0.000) 3.850 3.727 ( 0.000 -1.963 0.000) 1.963 3.909 ( 0.000 1.609 0.000) 1.609 4.086 ( 0.000 -4.208 0.000) 4.208 4.658 ( 0.000 -6.455 0.000) 6.455 5.027 ( 0.000 7.233 0.000) 7.233 5.093 ( 0.000 3.110 0.000) 3.110 5.431 ( 0.000 2.928 0.000) 2.928 5.490 ( 0.000 5.608 0.000) 5.608 5.546 ( 0.000 -0.277 0.000) 0.277 5.712 ( 0.000 1.987 0.000) 1.987 5.934 ( 0.000 1.193 0.000) 1.193 6.303 ( 0.000 1.478 0.000) 1.478 6.426 ( 0.000 2.593 0.000) 2.593 6.456 ( 0.000 -8.959 0.000) 8.959 6.541 ( 0.000 1.438 0.000) 1.438 6.997 ( 0.000 -1.533 0.000) 1.533 7.054 ( 0.000 -1.704 0.000) 1.704 7.094 ( 0.000 -1.593 0.000) 1.593 7.211 ( 0.000 4.391 0.000) 4.391 7.213 ( 0.000 -5.248 0.000) 5.248 7.370 ( 0.000 -2.196 0.000) 2.196 7.426 ( 0.000 -5.473 0.000) 5.473 7.512 ( 0.000 -0.939 0.000) 0.939 7.641 ( 0.000 0.628 0.000) 0.628 7.723 ( 0.000 12.502 0.000) 12.502 7.792 ( 0.000 10.084 0.000) 10.084 7.969 ( 0.000 -1.229 0.000) 1.229 7.999 ( 0.000 4.560 0.000) 4.560 8.024 ( 0.000 -0.923 0.000) 0.923 8.407 ( 0.000 0.036 0.000) 0.036 8.409 ( 0.000 5.576 0.000) 5.576 8.580 ( 0.000 -2.447 0.000) 2.447 8.615 ( 0.000 5.334 0.000) 5.334 8.823 ( 0.000 -1.556 0.000) 1.556 9.324 ( 0.000 -3.747 0.000) 3.747 9.387 ( 0.000 -0.361 0.000) 0.361 9.612 ( 0.000 -3.583 0.000) 3.583 9.827 ( 0.000 -3.452 0.000) 3.452 9.952 ( 0.000 -2.500 0.000) 2.500 10.221 ( 0.000 -1.895 0.000) 1.895 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 14.992 20.266 0.000) 25.208 0.759 ( 18.038 19.870 0.000) 26.836 1.335 ( 32.481 32.803 0.000) 46.164 1.678 ( 5.533 1.017 0.000) 5.626 1.700 ( -14.524 0.188 0.000) 14.525 1.885 ( -12.665 7.668 0.000) 14.805 2.258 ( -1.454 6.373 0.000) 6.537 2.305 ( -3.896 0.725 0.000) 3.963 2.374 ( 1.214 3.843 0.000) 4.030 2.380 ( -1.713 4.523 0.000) 4.837 2.449 ( 1.436 1.695 0.000) 2.222 2.549 ( 3.853 6.284 0.000) 7.371 2.581 ( -0.932 0.689 0.000) 1.159 2.606 ( 3.324 9.313 0.000) 9.888 2.741 ( 2.800 8.059 0.000) 8.531 2.852 ( -1.446 4.202 0.000) 4.444 3.308 ( -24.240 7.543 0.000) 25.387 3.316 ( 12.021 0.645 0.000) 12.038 3.519 ( -7.054 0.709 0.000) 7.090 3.752 ( 4.702 -1.364 0.000) 4.896 3.761 ( 3.008 -2.392 0.000) 3.843 3.909 ( -4.388 -2.140 0.000) 4.882 4.159 ( 7.602 -2.654 0.000) 8.052 4.614 ( -4.555 -6.258 0.000) 7.741 5.036 ( 0.954 7.074 0.000) 7.138 5.092 ( -0.205 3.749 0.000) 3.755 5.424 ( -0.644 3.139 0.000) 3.204 5.426 ( -3.110 5.231 0.000) 6.086 5.572 ( -1.897 3.974 0.000) 4.403 5.684 ( -2.947 1.808 0.000) 3.458 5.756 ( -0.470 9.052 0.000) 9.065 6.155 ( -9.828 -0.416 0.000) 9.837 6.444 ( 2.422 1.677 0.000) 2.946 6.547 ( 3.960 -5.078 0.000) 6.439 6.802 ( 8.291 -7.882 0.000) 11.439 6.970 ( -2.569 -2.422 0.000) 3.531 7.106 ( 1.258 -1.633 0.000) 2.062 7.119 ( 5.088 -4.996 0.000) 7.131 7.213 ( 0.546 -4.478 0.000) 4.511 7.241 ( 3.397 3.815 0.000) 5.108 7.384 ( 3.653 -1.964 0.000) 4.148 7.446 ( -5.125 -4.371 0.000) 6.736 7.484 ( 2.083 -0.965 0.000) 2.296 7.687 ( 3.168 3.232 0.000) 4.526 7.746 ( 3.988 6.327 0.000) 7.479 7.797 ( 0.181 10.660 0.000) 10.661 7.875 ( -6.498 -2.114 0.000) 6.833 8.000 ( 0.125 3.876 0.000) 3.878 8.026 ( -1.673 2.993 0.000) 3.429 8.323 ( -12.633 2.392 0.000) 12.857 8.409 ( 0.061 -1.235 0.000) 1.237 8.413 ( 0.295 4.408 0.000) 4.417 8.817 ( 7.720 5.589 0.000) 9.531 8.838 ( 1.438 -0.190 0.000) 1.451 9.317 ( -1.049 0.272 0.000) 1.084 9.343 ( 1.867 -3.728 0.000) 4.169 9.618 ( -2.146 -3.844 0.000) 4.402 9.776 ( -5.138 -3.126 0.000) 6.014 9.995 ( 4.368 -3.281 0.000) 5.463 10.208 ( -1.446 -2.204 0.000) 2.636 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 18.030 11.152 0.000) 21.200 1.139 ( 20.673 13.325 0.000) 24.595 1.398 ( -16.747 4.903 0.000) 17.450 1.521 ( -18.638 8.532 0.000) 20.498 1.906 ( 11.692 1.240 0.000) 11.758 2.029 ( 35.998 17.878 0.000) 40.193 2.142 ( -10.816 -0.729 0.000) 10.841 2.255 ( -0.835 2.223 0.000) 2.374 2.312 ( -4.749 2.458 0.000) 5.347 2.377 ( 1.218 13.775 0.000) 13.829 2.377 ( -1.141 7.831 0.000) 7.914 2.579 ( 1.535 5.815 0.000) 6.015 2.613 ( -1.361 2.701 0.000) 3.025 2.698 ( -5.056 6.889 0.000) 8.545 2.772 ( -21.919 11.507 0.000) 24.756 2.808 ( -3.255 4.793 0.000) 5.794 2.974 ( 18.184 2.230 0.000) 18.320 3.305 ( -15.053 -0.020 0.000) 15.053 3.553 ( 12.044 -1.026 0.000) 12.088 3.762 ( -9.628 -2.076 0.000) 9.849 3.819 ( 2.410 -2.005 0.000) 3.135 3.828 ( 1.826 -1.404 0.000) 2.303 4.323 ( 9.066 -4.158 0.000) 9.974 4.491 ( -8.044 -5.577 0.000) 9.788 5.059 ( 1.352 6.505 0.000) 6.644 5.082 ( -0.893 5.280 0.000) 5.355 5.399 ( -0.071 4.662 0.000) 4.662 5.409 ( -0.862 3.740 0.000) 3.838 5.552 ( 1.149 3.698 0.000) 3.872 5.609 ( -4.234 1.963 0.000) 4.667 5.849 ( 6.851 3.382 0.000) 7.640 5.987 ( -7.751 1.090 0.000) 7.827 6.506 ( 3.613 0.291 0.000) 3.625 6.563 ( -1.781 -1.999 0.000) 2.677 6.869 ( 1.703 -3.491 0.000) 3.884 6.912 ( -2.969 -2.754 0.000) 4.050 7.139 ( 1.930 -1.292 0.000) 2.323 7.163 ( -0.110 -1.790 0.000) 1.793 7.257 ( 3.723 -5.840 0.000) 6.926 7.319 ( 1.588 0.664 0.000) 1.721 7.359 ( -1.519 -4.259 0.000) 4.521 7.419 ( -2.825 3.822 0.000) 4.753 7.547 ( 7.494 -1.149 0.000) 7.582 7.701 ( -5.676 -1.621 0.000) 5.903 7.770 ( -0.724 7.542 0.000) 7.577 7.789 ( -0.982 10.161 0.000) 10.209 7.884 ( 9.055 -0.522 0.000) 9.070 7.991 ( -1.629 2.159 0.000) 2.705 8.005 ( 0.663 2.739 0.000) 2.818 8.104 ( -10.259 0.466 0.000) 10.270 8.415 ( 0.283 -0.521 0.000) 0.593 8.417 ( 0.095 1.764 0.000) 1.767 8.872 ( 1.809 2.922 0.000) 3.436 8.890 ( 0.581 6.100 0.000) 6.128 9.373 ( 4.275 -3.366 0.000) 5.441 9.386 ( 2.102 -3.796 0.000) 4.339 9.571 ( -0.632 -2.259 0.000) 2.346 9.649 ( -7.235 -2.377 0.000) 7.615 10.087 ( 4.715 -3.469 0.000) 5.854 10.164 ( -3.179 -2.874 0.000) 4.286 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.000 24.863 0.000) 24.863 1.120 ( 0.000 26.115 0.000) 26.115 1.684 ( 0.000 5.196 0.000) 5.196 1.858 ( 0.000 0.487 0.000) 0.487 1.908 ( 0.000 43.598 0.000) 43.598 2.200 ( 0.000 9.252 0.000) 9.252 2.266 ( 0.000 3.118 0.000) 3.118 2.388 ( 0.000 5.350 0.000) 5.350 2.419 ( 0.000 -1.607 0.000) 1.607 2.480 ( 0.000 4.279 0.000) 4.279 2.583 ( 0.000 7.406 0.000) 7.406 2.610 ( 0.000 11.411 0.000) 11.411 2.713 ( 0.000 3.059 0.000) 3.059 2.855 ( 0.000 13.872 0.000) 13.872 2.914 ( 0.000 10.562 0.000) 10.562 2.983 ( 0.000 6.273 0.000) 6.273 3.267 ( 0.000 9.654 0.000) 9.654 3.575 ( 0.000 -7.478 0.000) 7.478 3.665 ( 0.000 -4.116 0.000) 4.116 3.691 ( 0.000 6.737 0.000) 6.737 3.707 ( 0.000 5.709 0.000) 5.709 3.969 ( 0.000 4.113 0.000) 4.113 3.986 ( 0.000 -4.660 0.000) 4.660 4.468 ( 0.000 -12.177 0.000) 12.177 5.190 ( 0.000 6.420 0.000) 6.420 5.218 ( 0.000 10.970 0.000) 10.970 5.507 ( 0.000 4.374 0.000) 4.374 5.550 ( 0.000 0.870 0.000) 0.870 5.639 ( 0.000 8.613 0.000) 8.613 5.768 ( 0.000 3.342 0.000) 3.342 5.963 ( 0.000 1.654 0.000) 1.654 6.232 ( 0.000 -12.139 0.000) 12.139 6.346 ( 0.000 2.762 0.000) 2.762 6.503 ( 0.000 4.787 0.000) 4.787 6.578 ( 0.000 1.990 0.000) 1.990 6.966 ( 0.000 -1.775 0.000) 1.775 7.026 ( 0.000 -0.486 0.000) 0.486 7.066 ( 0.000 -0.700 0.000) 0.700 7.116 ( 0.000 -3.877 0.000) 3.877 7.308 ( 0.000 -5.831 0.000) 5.831 7.324 ( 0.000 6.055 0.000) 6.055 7.358 ( 0.000 0.330 0.000) 0.330 7.487 ( 0.000 -1.309 0.000) 1.309 7.604 ( 0.000 -4.548 0.000) 4.548 7.965 ( 0.000 10.909 0.000) 10.909 7.988 ( 0.000 6.926 0.000) 6.926 7.993 ( 0.000 3.700 0.000) 3.700 7.996 ( 0.000 -1.797 0.000) 1.797 8.114 ( 0.000 7.747 0.000) 7.747 8.384 ( 0.000 -2.266 0.000) 2.266 8.510 ( 0.000 -4.355 0.000) 4.355 8.553 ( 0.000 7.925 0.000) 7.925 8.755 ( 0.000 7.574 0.000) 7.574 8.796 ( 0.000 -0.603 0.000) 0.603 9.224 ( 0.000 -5.701 0.000) 5.701 9.371 ( 0.000 -1.377 0.000) 1.377 9.525 ( 0.000 -4.389 0.000) 4.389 9.734 ( 0.000 -5.396 0.000) 5.396 9.886 ( 0.000 -3.758 0.000) 3.758 10.168 ( 0.000 -3.187 0.000) 3.187 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 6.815 23.168 0.000) 24.149 1.199 ( 12.397 22.444 0.000) 25.641 1.739 ( 5.217 4.876 0.000) 7.141 1.741 ( -9.337 4.173 0.000) 10.228 2.077 ( -10.964 10.876 0.000) 15.443 2.084 ( 16.889 37.611 0.000) 41.229 2.293 ( -3.865 0.927 0.000) 3.975 2.359 ( -2.738 4.731 0.000) 5.466 2.435 ( 2.444 0.683 0.000) 2.537 2.470 ( 2.141 5.127 0.000) 5.556 2.572 ( -0.405 3.588 0.000) 3.610 2.693 ( 6.475 7.391 0.000) 9.826 2.710 ( 0.383 12.567 0.000) 12.573 2.850 ( -0.097 13.742 0.000) 13.742 2.912 ( 1.008 7.680 0.000) 7.746 2.980 ( -0.296 9.291 0.000) 9.296 3.368 ( 8.589 5.855 0.000) 10.395 3.493 ( -9.154 -1.867 0.000) 9.342 3.515 ( -15.807 10.142 0.000) 18.781 3.696 ( 3.128 -4.067 0.000) 5.131 3.753 ( 3.665 2.120 0.000) 4.234 3.852 ( -6.107 -2.960 0.000) 6.786 4.103 ( 5.567 -2.334 0.000) 6.037 4.430 ( -3.830 -11.665 0.000) 12.277 5.200 ( 1.004 6.871 0.000) 6.944 5.222 ( 0.369 10.603 0.000) 10.610 5.502 ( -0.518 4.233 0.000) 4.265 5.512 ( -2.532 3.512 0.000) 4.329 5.650 ( -0.077 4.867 0.000) 4.868 5.737 ( -3.015 3.351 0.000) 4.508 5.925 ( -1.195 6.784 0.000) 6.888 6.120 ( -6.688 -3.675 0.000) 7.632 6.449 ( 5.707 -3.179 0.000) 6.533 6.499 ( 0.641 3.473 0.000) 3.531 6.699 ( 7.707 -2.447 0.000) 8.086 6.928 ( -3.317 -1.849 0.000) 3.798 7.061 ( 3.582 -1.064 0.000) 3.737 7.068 ( 0.493 -1.808 0.000) 1.874 7.130 ( 1.025 -3.285 0.000) 3.441 7.342 ( 5.366 -2.818 0.000) 6.061 7.344 ( -2.476 0.246 0.000) 2.488 7.361 ( -3.555 1.268 0.000) 3.774 7.445 ( 5.820 -1.648 0.000) 6.049 7.690 ( 3.041 -2.548 0.000) 3.968 7.893 ( -2.915 2.756 0.000) 4.011 7.915 ( -2.777 8.451 0.000) 8.896 8.015 ( 0.896 8.797 0.000) 8.843 8.081 ( 2.170 2.572 0.000) 3.365 8.099 ( -1.390 6.940 0.000) 7.078 8.337 ( -10.721 -1.013 0.000) 10.769 8.379 ( -1.793 -1.549 0.000) 2.369 8.508 ( -3.679 4.403 0.000) 5.738 8.851 ( 4.623 1.809 0.000) 4.965 8.895 ( 8.604 2.866 0.000) 9.069 9.245 ( 2.093 -5.434 0.000) 5.823 9.319 ( -2.905 -0.207 0.000) 2.912 9.535 ( -0.425 -3.833 0.000) 3.856 9.693 ( -4.121 -4.722 0.000) 6.268 9.914 ( 3.185 -4.443 0.000) 5.467 10.147 ( -2.207 -3.622 0.000) 4.241 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 9.921 16.653 0.000) 19.384 1.475 ( 15.141 18.612 0.000) 23.993 1.552 ( -9.926 10.039 0.000) 14.118 1.752 ( -10.975 13.347 0.000) 17.280 1.955 ( 5.767 4.098 0.000) 7.075 2.134 ( -9.973 0.885 0.000) 10.012 2.330 ( 0.197 5.012 0.000) 5.015 2.374 ( -4.005 3.949 0.000) 5.625 2.475 ( 15.712 20.682 0.000) 25.973 2.526 ( 2.876 5.901 0.000) 6.564 2.654 ( 6.491 7.323 0.000) 9.785 2.753 ( -0.687 9.996 0.000) 10.019 2.756 ( 5.772 17.462 0.000) 18.391 2.879 ( 2.999 10.814 0.000) 11.223 2.940 ( -1.592 7.207 0.000) 7.380 3.046 ( 11.229 5.732 0.000) 12.607 3.098 ( -23.809 19.460 0.000) 30.750 3.302 ( -13.029 0.017 0.000) 13.029 3.537 ( 8.573 0.222 0.000) 8.576 3.692 ( -7.623 -4.267 0.000) 8.737 3.773 ( 4.252 -2.206 0.000) 4.790 3.823 ( -0.208 1.080 0.000) 1.100 4.207 ( 5.940 -7.015 0.000) 9.192 4.330 ( -6.357 -10.102 0.000) 11.935 5.221 ( 0.878 8.107 0.000) 8.154 5.228 ( 0.085 9.570 0.000) 9.571 5.483 ( -0.415 3.856 0.000) 3.879 5.489 ( -0.758 3.855 0.000) 3.929 5.641 ( 0.086 4.535 0.000) 4.536 5.672 ( -3.067 3.993 0.000) 5.035 5.949 ( 2.945 5.964 0.000) 6.652 6.017 ( -4.202 1.730 0.000) 4.544 6.518 ( 1.446 -2.150 0.000) 2.591 6.518 ( 0.952 0.791 0.000) 1.238 6.802 ( 3.478 -2.688 0.000) 4.396 6.861 ( -3.283 -1.954 0.000) 3.820 7.099 ( 2.824 -3.099 0.000) 4.192 7.128 ( 1.872 -1.214 0.000) 2.231 7.153 ( 1.209 -3.412 0.000) 3.619 7.206 ( -5.921 -6.544 0.000) 8.825 7.424 ( 4.416 4.865 0.000) 6.571 7.466 ( 3.719 -0.178 0.000) 3.723 7.525 ( 4.164 -0.616 0.000) 4.209 7.649 ( -5.960 -2.659 0.000) 6.527 7.909 ( 2.537 4.062 0.000) 4.789 7.911 ( 2.728 5.157 0.000) 5.835 8.016 ( -0.111 9.753 0.000) 9.754 8.073 ( -2.690 4.855 0.000) 5.550 8.077 ( -0.302 4.698 0.000) 4.707 8.127 ( -8.564 2.564 0.000) 8.940 8.389 ( 1.909 -1.931 0.000) 2.715 8.440 ( -3.237 0.464 0.000) 3.270 8.939 ( 4.007 3.047 0.000) 5.034 8.983 ( 0.253 2.316 0.000) 2.330 9.294 ( 2.537 -4.579 0.000) 5.235 9.311 ( 1.031 -2.121 0.000) 2.358 9.520 ( 0.539 -2.331 0.000) 2.393 9.591 ( -5.818 -3.020 0.000) 6.555 9.997 ( 4.944 -5.122 0.000) 7.119 10.086 ( -4.085 -4.560 0.000) 6.122 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.000 21.652 0.000) 21.652 1.612 ( 0.000 22.152 0.000) 22.152 1.812 ( 0.000 6.985 0.000) 6.985 1.912 ( 0.000 4.541 0.000) 4.541 2.305 ( 0.000 3.763 0.000) 3.763 2.367 ( 0.000 -3.256 0.000) 3.256 2.397 ( 0.000 9.862 0.000) 9.862 2.529 ( 0.000 7.808 0.000) 7.808 2.567 ( 0.000 4.352 0.000) 4.352 2.673 ( 0.000 17.065 0.000) 17.065 2.733 ( 0.000 7.372 0.000) 7.372 2.742 ( 0.000 2.950 0.000) 2.950 2.906 ( 0.000 27.136 0.000) 27.136 3.075 ( 0.000 4.219 0.000) 4.219 3.093 ( 0.000 5.813 0.000) 5.813 3.107 ( 0.000 5.602 0.000) 5.602 3.460 ( 0.000 -0.100 0.000) 0.100 3.562 ( 0.000 -2.048 0.000) 2.048 3.611 ( 0.000 19.033 0.000) 19.033 3.736 ( 0.000 -3.281 0.000) 3.281 3.847 ( 0.000 7.603 0.000) 7.603 3.977 ( 0.000 4.768 0.000) 4.768 4.062 ( 0.000 4.765 0.000) 4.765 4.179 ( 0.000 -15.904 0.000) 15.904 5.347 ( 0.000 8.820 0.000) 8.820 5.441 ( 0.000 10.352 0.000) 10.352 5.586 ( 0.000 2.736 0.000) 2.736 5.598 ( 0.000 4.384 0.000) 4.384 5.820 ( 0.000 8.994 0.000) 8.994 5.837 ( 0.000 3.174 0.000) 3.174 6.000 ( 0.000 -10.090 0.000) 10.090 6.002 ( 0.000 2.188 0.000) 2.188 6.412 ( 0.000 3.724 0.000) 3.724 6.606 ( 0.000 0.487 0.000) 0.487 6.608 ( 0.000 5.300 0.000) 5.300 6.917 ( 0.000 -2.957 0.000) 2.957 7.053 ( 0.000 3.399 0.000) 3.399 7.061 ( 0.000 -1.650 0.000) 1.650 7.073 ( 0.000 1.182 0.000) 1.182 7.205 ( 0.000 -3.981 0.000) 3.981 7.368 ( 0.000 0.380 0.000) 0.380 7.382 ( 0.000 -1.847 0.000) 1.847 7.481 ( 0.000 -6.852 0.000) 6.852 7.516 ( 0.000 5.419 0.000) 5.419 7.950 ( 0.000 -2.790 0.000) 2.790 8.033 ( 0.000 -1.043 0.000) 1.043 8.087 ( 0.000 4.588 0.000) 4.588 8.147 ( 0.000 6.678 0.000) 6.678 8.319 ( 0.000 11.014 0.000) 11.014 8.322 ( 0.000 -3.520 0.000) 3.520 8.412 ( 0.000 -5.004 0.000) 5.004 8.700 ( 0.000 5.994 0.000) 5.994 8.811 ( 0.000 1.985 0.000) 1.985 8.882 ( 0.000 4.188 0.000) 4.188 9.113 ( 0.000 -4.747 0.000) 4.747 9.325 ( 0.000 -3.248 0.000) 3.248 9.467 ( 0.000 -0.552 0.000) 0.552 9.629 ( 0.000 -4.449 0.000) 4.449 9.813 ( 0.000 -3.230 0.000) 3.230 10.097 ( 0.000 -3.829 0.000) 3.829 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 2.210 19.898 0.000) 20.020 1.638 ( 9.598 20.450 0.000) 22.591 1.856 ( -4.455 6.868 0.000) 8.187 1.864 ( 5.188 7.313 0.000) 8.967 2.298 ( -4.373 0.881 0.000) 4.461 2.308 ( -8.587 11.574 0.000) 14.411 2.436 ( 7.506 0.258 0.000) 7.510 2.487 ( -2.325 7.401 0.000) 7.757 2.577 ( 1.394 5.472 0.000) 5.647 2.641 ( -4.547 3.626 0.000) 5.816 2.742 ( 4.558 15.783 0.000) 16.428 2.828 ( 6.652 5.513 0.000) 8.639 2.975 ( 4.708 15.710 0.000) 16.400 3.038 ( 1.203 11.841 0.000) 11.902 3.076 ( -1.649 4.773 0.000) 5.050 3.186 ( 3.760 8.599 0.000) 9.385 3.441 ( -2.357 1.860 0.000) 3.002 3.598 ( 1.663 -0.994 0.000) 1.937 3.623 ( 3.613 14.679 0.000) 15.117 3.684 ( -5.161 -0.363 0.000) 5.174 3.822 ( -8.691 8.704 0.000) 12.300 3.882 ( -1.244 6.707 0.000) 6.822 4.073 ( -0.732 -0.782 0.000) 1.071 4.158 ( -2.119 -14.474 0.000) 14.628 5.363 ( 1.572 8.936 0.000) 9.073 5.438 ( -0.319 10.111 0.000) 10.116 5.580 ( -0.633 3.550 0.000) 3.606 5.586 ( -1.081 3.912 0.000) 4.058 5.770 ( -3.453 6.553 0.000) 7.407 5.810 ( -2.608 3.481 0.000) 4.349 6.013 ( 1.282 -6.021 0.000) 6.156 6.037 ( 2.254 4.561 0.000) 5.087 6.439 ( 2.479 1.710 0.000) 3.011 6.563 ( -1.827 2.147 0.000) 2.820 6.685 ( 4.743 0.906 0.000) 4.829 6.890 ( -2.534 -1.923 0.000) 3.181 7.035 ( -1.969 -1.412 0.000) 2.423 7.075 ( 2.047 2.443 0.000) 3.187 7.087 ( 1.783 -1.134 0.000) 2.113 7.254 ( -9.339 -4.628 0.000) 10.423 7.281 ( 7.033 -2.520 0.000) 7.471 7.427 ( 4.929 -0.461 0.000) 4.951 7.457 ( 1.363 2.327 0.000) 2.697 7.641 ( 3.744 -0.698 0.000) 3.808 7.916 ( -0.085 -1.027 0.000) 1.031 8.016 ( -1.388 0.886 0.000) 1.646 8.140 ( -0.767 5.280 0.000) 5.335 8.151 ( 3.616 4.292 0.000) 5.613 8.291 ( -3.589 -3.052 0.000) 4.712 8.293 ( -2.672 10.193 0.000) 10.538 8.340 ( -4.514 -2.562 0.000) 5.190 8.587 ( -7.642 3.591 0.000) 8.444 8.901 ( 5.174 2.325 0.000) 5.672 8.937 ( 4.036 1.031 0.000) 4.166 9.147 ( 3.421 -3.617 0.000) 4.978 9.308 ( -1.035 -1.042 0.000) 1.468 9.482 ( 0.720 -0.949 0.000) 1.191 9.603 ( -2.579 -3.722 0.000) 4.529 9.827 ( 1.887 -3.895 0.000) 4.329 10.067 ( -2.994 -4.160 0.000) 5.126 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 3.663 15.455 0.000) 15.883 1.767 ( -4.043 11.075 0.000) 11.790 1.864 ( 12.138 18.493 0.000) 22.121 1.987 ( 5.927 8.421 0.000) 10.298 2.122 ( -9.077 13.365 0.000) 16.156 2.175 ( -7.770 3.186 0.000) 8.398 2.449 ( -1.116 6.466 0.000) 6.562 2.464 ( -2.490 4.743 0.000) 5.357 2.623 ( 2.775 3.931 0.000) 4.812 2.645 ( 1.509 2.310 0.000) 2.759 2.859 ( 6.481 7.214 0.000) 9.698 2.917 ( 1.462 5.761 0.000) 5.944 3.011 ( 1.497 0.003 0.000) 1.497 3.039 ( -1.741 1.534 0.000) 2.320 3.212 ( 13.594 23.976 0.000) 27.562 3.241 ( 4.179 11.992 0.000) 12.699 3.349 ( -7.024 5.781 0.000) 9.097 3.517 ( -14.784 19.388 0.000) 24.381 3.605 ( 0.337 6.449 0.000) 6.457 3.637 ( -4.521 1.416 0.000) 4.737 3.756 ( 8.117 2.107 0.000) 8.386 3.876 ( -3.010 4.362 0.000) 5.299 4.055 ( 0.623 -7.284 0.000) 7.310 4.103 ( -3.350 -11.093 0.000) 11.588 5.399 ( 1.885 9.227 0.000) 9.417 5.427 ( -0.954 9.635 0.000) 9.683 5.566 ( -0.568 4.521 0.000) 4.556 5.567 ( -0.672 3.997 0.000) 4.053 5.731 ( -0.302 4.456 0.000) 4.466 5.755 ( -2.534 3.946 0.000) 4.690 6.043 ( 1.631 0.405 0.000) 1.680 6.061 ( 0.076 4.459 0.000) 4.459 6.491 ( 2.543 -0.159 0.000) 2.548 6.530 ( -1.725 0.411 0.000) 1.773 6.769 ( 3.787 -0.618 0.000) 3.837 6.833 ( -3.169 -1.114 0.000) 3.360 7.025 ( 1.261 -3.170 0.000) 3.412 7.086 ( -4.001 -4.344 0.000) 5.906 7.121 ( 1.317 -0.672 0.000) 1.479 7.129 ( -0.701 0.599 0.000) 0.921 7.432 ( 7.120 -2.072 0.000) 7.415 7.484 ( 0.635 0.144 0.000) 0.651 7.514 ( 4.096 -0.860 0.000) 4.186 7.614 ( -5.041 -0.468 0.000) 5.063 7.973 ( 3.694 1.520 0.000) 3.995 8.001 ( -0.055 3.830 0.000) 3.830 8.123 ( -0.484 2.417 0.000) 2.465 8.152 ( -2.905 2.574 0.000) 3.882 8.206 ( -2.188 3.918 0.000) 4.488 8.229 ( -3.367 7.915 0.000) 8.602 8.350 ( 4.193 -1.282 0.000) 4.384 8.452 ( -6.263 1.381 0.000) 6.413 8.971 ( 2.230 0.001 0.000) 2.230 8.986 ( 0.783 -1.292 0.000) 1.511 9.229 ( 4.513 -1.469 0.000) 4.746 9.291 ( -1.527 -0.232 0.000) 1.545 9.492 ( 1.108 -0.292 0.000) 1.146 9.540 ( -3.517 -1.740 0.000) 3.924 9.892 ( 4.703 -4.989 0.000) 6.857 9.989 ( -4.951 -4.855 0.000) 6.934 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.000 16.211 0.000) 16.211 1.952 ( 0.000 6.679 0.000) 6.679 2.005 ( 0.000 16.535 0.000) 16.535 2.025 ( 0.000 6.581 0.000) 6.581 2.295 ( 0.000 -3.634 0.000) 3.634 2.381 ( 0.000 3.784 0.000) 3.784 2.580 ( 0.000 7.534 0.000) 7.534 2.655 ( 0.000 4.541 0.000) 4.541 2.658 ( 0.000 3.562 0.000) 3.562 2.780 ( 0.000 1.617 0.000) 1.617 2.815 ( 0.000 3.984 0.000) 3.984 2.888 ( 0.000 7.834 0.000) 7.834 3.032 ( 0.000 -6.734 0.000) 6.734 3.089 ( 0.000 -2.322 0.000) 2.322 3.196 ( 0.000 2.891 0.000) 2.891 3.482 ( 0.000 -2.925 0.000) 2.925 3.597 ( 0.000 33.183 0.000) 33.183 3.632 ( 0.000 -5.910 0.000) 5.910 3.640 ( 0.000 13.780 0.000) 13.780 3.847 ( 0.000 -16.180 0.000) 16.180 3.991 ( 0.000 6.462 0.000) 6.462 4.063 ( 0.000 21.517 0.000) 21.517 4.104 ( 0.000 6.372 0.000) 6.372 4.153 ( 0.000 4.070 0.000) 4.070 5.532 ( 0.000 9.069 0.000) 9.069 5.616 ( 0.000 6.638 0.000) 6.638 5.659 ( 0.000 4.389 0.000) 4.389 5.679 ( 0.000 3.538 0.000) 3.538 5.843 ( 0.000 -5.192 0.000) 5.192 5.882 ( 0.000 1.036 0.000) 1.036 5.993 ( 0.000 7.733 0.000) 7.733 6.049 ( 0.000 2.293 0.000) 2.293 6.494 ( 0.000 4.276 0.000) 4.276 6.600 ( 0.000 -0.734 0.000) 0.734 6.707 ( 0.000 4.387 0.000) 4.387 6.856 ( 0.000 -2.890 0.000) 2.890 7.045 ( 0.000 -0.037 0.000) 0.037 7.099 ( 0.000 1.101 0.000) 1.101 7.158 ( 0.000 6.335 0.000) 6.335 7.158 ( 0.000 -0.527 0.000) 0.527 7.305 ( 0.000 -5.045 0.000) 5.045 7.348 ( 0.000 -5.748 0.000) 5.748 7.369 ( 0.000 -0.352 0.000) 0.352 7.638 ( 0.000 5.608 0.000) 5.608 7.881 ( 0.000 -4.096 0.000) 4.096 7.989 ( 0.000 -2.562 0.000) 2.562 8.124 ( 0.000 -2.413 0.000) 2.413 8.222 ( 0.000 0.568 0.000) 0.568 8.277 ( 0.000 0.336 0.000) 0.336 8.322 ( 0.000 -3.560 0.000) 3.560 8.527 ( 0.000 9.222 0.000) 9.222 8.784 ( 0.000 2.452 0.000) 2.452 8.864 ( 0.000 2.812 0.000) 2.812 8.922 ( 0.000 0.410 0.000) 0.410 9.042 ( 0.000 -2.455 0.000) 2.455 9.241 ( 0.000 -4.968 0.000) 4.968 9.506 ( 0.000 3.784 0.000) 3.784 9.577 ( 0.000 -0.211 0.000) 0.211 9.761 ( 0.000 -1.940 0.000) 1.940 10.015 ( 0.000 -4.212 0.000) 4.212 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.496 9.153 0.000) 9.166 1.997 ( -1.298 6.489 0.000) 6.617 2.011 ( 7.255 15.944 0.000) 17.517 2.060 ( 4.549 12.632 0.000) 13.426 2.306 ( -0.854 -0.171 0.000) 0.871 2.458 ( 7.858 2.114 0.000) 8.137 2.529 ( -4.907 9.905 0.000) 11.054 2.621 ( -0.120 4.944 0.000) 4.946 2.685 ( -1.415 4.033 0.000) 4.274 2.713 ( -4.333 3.465 0.000) 5.548 2.860 ( 2.955 2.395 0.000) 3.803 2.906 ( 2.001 2.322 0.000) 3.065 3.021 ( -3.826 -1.527 0.000) 4.120 3.037 ( 0.661 -3.624 0.000) 3.684 3.298 ( 6.311 4.319 0.000) 7.647 3.476 ( 0.980 -2.503 0.000) 2.688 3.521 ( -7.114 -1.326 0.000) 7.236 3.667 ( 6.447 27.707 0.000) 28.447 3.695 ( 1.307 7.239 0.000) 7.356 3.816 ( -2.638 -11.258 0.000) 11.563 3.999 ( 0.759 8.286 0.000) 8.321 4.062 ( -5.452 0.785 0.000) 5.508 4.078 ( 1.009 17.599 0.000) 17.628 4.088 ( -5.096 10.286 0.000) 11.480 5.548 ( 1.585 9.007 0.000) 9.145 5.614 ( -0.254 6.979 0.000) 6.984 5.660 ( -1.112 3.437 0.000) 3.612 5.663 ( 0.355 4.679 0.000) 4.693 5.866 ( -1.656 1.883 0.000) 2.508 5.901 ( -5.527 6.177 0.000) 8.289 5.907 ( 5.629 -4.012 0.000) 6.913 6.111 ( 2.503 2.599 0.000) 3.608 6.496 ( 0.450 3.529 0.000) 3.557 6.578 ( -1.829 0.040 0.000) 1.830 6.728 ( 1.887 2.853 0.000) 3.421 6.846 ( -1.389 -2.559 0.000) 2.912 7.021 ( -2.647 0.170 0.000) 2.653 7.074 ( 0.702 -0.121 0.000) 0.713 7.133 ( -5.636 0.279 0.000) 5.643 7.186 ( -2.969 0.242 0.000) 2.979 7.254 ( 7.399 -0.240 0.000) 7.403 7.417 ( 4.019 -0.601 0.000) 4.063 7.424 ( 2.716 -3.891 0.000) 4.745 7.680 ( 0.551 2.759 0.000) 2.814 7.869 ( 2.424 -2.961 0.000) 3.826 7.992 ( 0.633 -2.234 0.000) 2.322 8.191 ( 4.371 -3.706 0.000) 5.730 8.202 ( -2.151 0.163 0.000) 2.157 8.248 ( -2.871 0.821 0.000) 2.986 8.298 ( -0.591 -0.205 0.000) 0.626 8.479 ( -4.867 8.062 0.000) 9.418 8.658 ( -8.307 3.377 0.000) 8.967 8.929 ( 2.836 0.764 0.000) 2.937 8.940 ( 1.443 -0.274 0.000) 1.469 9.107 ( 5.765 -0.904 0.000) 5.835 9.262 ( 1.745 -3.652 0.000) 4.048 9.507 ( 0.085 3.133 0.000) 3.134 9.562 ( -1.467 0.035 0.000) 1.467 9.764 ( 0.694 -2.355 0.000) 2.455 9.982 ( -3.406 -4.301 0.000) 5.486 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 0.792 8.962 0.000) 8.997 1.963 ( -1.473 7.921 0.000) 8.056 2.157 ( 5.195 8.925 0.000) 10.327 2.196 ( 8.603 12.207 0.000) 14.934 2.267 ( -1.062 7.100 0.000) 7.179 2.414 ( -8.129 13.986 0.000) 16.177 2.559 ( 0.448 4.616 0.000) 4.638 2.574 ( -2.913 5.324 0.000) 6.069 2.681 ( 1.488 1.583 0.000) 2.173 2.684 ( 1.217 1.901 0.000) 2.257 2.938 ( 4.994 1.530 0.000) 5.223 2.941 ( 1.335 -3.217 0.000) 3.483 2.973 ( -0.706 -2.781 0.000) 2.869 3.038 ( -1.928 1.377 0.000) 2.370 3.343 ( -0.145 1.908 0.000) 1.914 3.386 ( -5.673 -2.794 0.000) 6.323 3.601 ( 10.598 1.175 0.000) 10.663 3.702 ( -0.166 5.523 0.000) 5.525 3.764 ( -0.602 0.230 0.000) 0.644 3.819 ( 7.452 15.537 0.000) 17.231 3.877 ( -11.523 0.354 0.000) 11.529 3.958 ( -6.108 13.287 0.000) 14.624 4.060 ( 1.563 10.846 0.000) 10.958 4.084 ( -0.547 13.398 0.000) 13.409 5.582 ( 1.660 8.573 0.000) 8.732 5.605 ( -0.738 7.738 0.000) 7.773 5.655 ( 0.606 4.788 0.000) 4.826 5.667 ( -0.191 5.469 0.000) 5.473 5.823 ( -2.064 4.565 0.000) 5.010 5.827 ( -1.886 3.146 0.000) 3.668 6.024 ( 5.972 -2.195 0.000) 6.363 6.111 ( -2.579 0.301 0.000) 2.596 6.516 ( 1.466 2.428 0.000) 2.836 6.545 ( -1.545 1.366 0.000) 2.063 6.766 ( 1.870 0.077 0.000) 1.871 6.805 ( -2.387 -1.824 0.000) 3.004 6.988 ( -0.427 -0.399 0.000) 0.584 7.018 ( -4.029 -2.151 0.000) 4.567 7.109 ( 2.585 -0.518 0.000) 2.636 7.157 ( -1.947 1.351 0.000) 2.370 7.406 ( 6.948 -0.370 0.000) 6.958 7.453 ( 0.479 -1.868 0.000) 1.928 7.489 ( 3.893 -1.478 0.000) 4.164 7.606 ( -6.642 -1.001 0.000) 6.717 7.987 ( 7.083 -0.294 0.000) 7.089 8.027 ( 2.792 -1.241 0.000) 3.055 8.139 ( -4.050 -1.173 0.000) 4.217 8.151 ( -4.980 -3.040 0.000) 5.834 8.258 ( 3.222 2.110 0.000) 3.851 8.360 ( -6.773 5.461 0.000) 8.700 8.372 ( 6.677 3.009 0.000) 7.323 8.508 ( -7.413 3.686 0.000) 8.278 8.962 ( 0.836 -0.071 0.000) 0.839 8.963 ( 0.729 -0.489 0.000) 0.877 9.217 ( 4.995 -0.551 0.000) 5.026 9.277 ( -0.939 -1.697 0.000) 1.940 9.511 ( 0.452 2.149 0.000) 2.196 9.530 ( -1.558 0.924 0.000) 1.812 9.804 ( 3.753 -3.603 0.000) 5.203 9.895 ( -5.192 -4.323 0.000) 6.756 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.000 6.119 0.000) 6.119 2.099 ( 0.000 3.627 0.000) 3.627 2.228 ( 0.000 -2.901 0.000) 2.901 2.248 ( 0.000 12.049 0.000) 12.049 2.271 ( 0.000 9.251 0.000) 9.251 2.451 ( 0.000 2.938 0.000) 2.938 2.635 ( 0.000 -4.817 0.000) 4.817 2.666 ( 0.000 1.272 0.000) 1.272 2.766 ( 0.000 5.761 0.000) 5.761 2.820 ( 0.000 2.238 0.000) 2.238 2.874 ( 0.000 1.837 0.000) 1.837 2.922 ( 0.000 -1.419 0.000) 1.419 3.020 ( 0.000 -3.183 0.000) 3.183 3.079 ( 0.000 8.517 0.000) 8.517 3.207 ( 0.000 -2.404 0.000) 2.404 3.442 ( 0.000 -1.364 0.000) 1.364 3.511 ( 0.000 -6.081 0.000) 6.081 3.562 ( 0.000 -10.758 0.000) 10.758 3.913 ( 0.000 12.214 0.000) 12.214 4.106 ( 0.000 4.812 0.000) 4.812 4.177 ( 0.000 23.479 0.000) 23.479 4.207 ( 0.000 3.448 0.000) 3.448 4.220 ( 0.000 2.404 0.000) 2.404 4.433 ( 0.000 14.137 0.000) 14.137 5.701 ( 0.000 7.358 0.000) 7.358 5.706 ( 0.000 2.679 0.000) 2.679 5.739 ( 0.000 2.371 0.000) 2.371 5.755 ( 0.000 4.785 0.000) 4.785 5.792 ( 0.000 -0.361 0.000) 0.361 5.875 ( 0.000 -1.722 0.000) 1.722 6.088 ( 0.000 1.429 0.000) 1.429 6.114 ( 0.000 3.636 0.000) 3.636 6.581 ( 0.000 4.228 0.000) 4.228 6.603 ( 0.000 1.813 0.000) 1.813 6.778 ( 0.000 2.247 0.000) 2.247 6.799 ( 0.000 -2.853 0.000) 2.853 7.057 ( 0.000 1.081 0.000) 1.081 7.112 ( 0.000 0.129 0.000) 0.129 7.181 ( 0.000 2.570 0.000) 2.570 7.194 ( 0.000 -5.385 0.000) 5.385 7.207 ( 0.000 -3.385 0.000) 3.385 7.341 ( 0.000 6.762 0.000) 6.762 7.352 ( 0.000 -1.386 0.000) 1.386 7.727 ( 0.000 2.724 0.000) 2.724 7.786 ( 0.000 -4.661 0.000) 4.661 7.954 ( 0.000 -0.474 0.000) 0.474 8.021 ( 0.000 -6.321 0.000) 6.321 8.177 ( 0.000 -4.450 0.000) 4.450 8.280 ( 0.000 -0.507 0.000) 0.507 8.306 ( 0.000 1.291 0.000) 1.291 8.686 ( 0.000 6.389 0.000) 6.389 8.817 ( 0.000 1.117 0.000) 1.117 8.913 ( 0.000 1.973 0.000) 1.973 8.928 ( 0.000 0.685 0.000) 0.685 9.000 ( 0.000 -1.918 0.000) 1.918 9.134 ( 0.000 -5.378 0.000) 5.378 9.591 ( 0.000 4.041 0.000) 4.041 9.619 ( 0.000 3.916 0.000) 3.916 9.730 ( 0.000 -1.296 0.000) 1.296 9.926 ( 0.000 -4.685 0.000) 4.685 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -0.142 5.968 0.000) 5.969 2.103 ( -0.307 3.994 0.000) 4.006 2.230 ( 2.841 2.346 0.000) 3.685 2.285 ( 1.166 7.709 0.000) 7.796 2.343 ( 6.481 7.206 0.000) 9.691 2.510 ( 6.235 2.489 0.000) 6.714 2.632 ( -0.099 -3.271 0.000) 3.273 2.681 ( 1.331 1.234 0.000) 1.815 2.734 ( -2.719 6.144 0.000) 6.719 2.782 ( -3.157 3.294 0.000) 4.563 2.893 ( 1.557 0.740 0.000) 1.724 2.961 ( 1.840 1.545 0.000) 2.402 2.977 ( -3.066 -1.624 0.000) 3.469 3.040 ( -2.336 4.626 0.000) 5.182 3.305 ( 7.465 -7.156 0.000) 10.341 3.399 ( -2.016 0.415 0.000) 2.058 3.430 ( -7.538 -5.673 0.000) 9.435 3.605 ( 3.498 -7.461 0.000) 8.240 3.868 ( -4.127 7.478 0.000) 8.541 4.059 ( -9.831 -0.484 0.000) 9.843 4.176 ( 5.161 8.743 0.000) 10.153 4.196 ( 1.810 21.910 0.000) 21.985 4.279 ( 1.694 7.300 0.000) 7.494 4.421 ( -1.324 13.703 0.000) 13.767 5.715 ( 1.226 7.194 0.000) 7.297 5.716 ( 1.319 3.611 0.000) 3.845 5.731 ( -0.217 3.452 0.000) 3.459 5.764 ( 0.880 4.987 0.000) 5.064 5.850 ( 5.151 -1.872 0.000) 5.481 5.881 ( 0.400 -0.399 0.000) 0.565 6.007 ( -5.482 4.012 0.000) 6.793 6.134 ( -0.645 -0.482 0.000) 0.805 6.570 ( -0.631 3.639 0.000) 3.693 6.597 ( -0.469 2.391 0.000) 2.437 6.779 ( -0.163 1.584 0.000) 1.592 6.785 ( -1.459 -3.420 0.000) 3.718 7.040 ( -1.796 1.554 0.000) 2.375 7.087 ( -0.528 1.198 0.000) 1.309 7.088 ( -6.621 -2.140 0.000) 6.959 7.209 ( -1.637 -1.974 0.000) 2.564 7.263 ( 6.853 1.132 0.000) 6.945 7.388 ( 3.292 2.329 0.000) 4.032 7.398 ( 3.858 -1.380 0.000) 4.097 7.687 ( -5.134 -2.687 0.000) 5.795 7.832 ( 6.186 0.008 0.000) 6.186 7.954 ( 0.290 -0.992 0.000) 1.033 8.075 ( 2.672 -6.515 0.000) 7.042 8.151 ( -2.758 -4.625 0.000) 5.385 8.264 ( -0.301 1.305 0.000) 1.339 8.327 ( 2.726 1.446 0.000) 3.086 8.616 ( -6.614 5.484 0.000) 8.591 8.716 ( -7.302 2.108 0.000) 7.601 8.945 ( 1.602 1.073 0.000) 1.929 8.951 ( 2.386 1.627 0.000) 2.888 9.084 ( 6.249 -1.617 0.000) 6.455 9.170 ( 3.139 -5.101 0.000) 5.990 9.583 ( -0.732 3.795 0.000) 3.865 9.603 ( -1.436 3.710 0.000) 3.978 9.727 ( -0.043 -1.515 0.000) 1.515 9.893 ( -3.287 -4.534 0.000) 5.600 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 0.302 5.493 0.000) 5.501 2.090 ( -0.737 4.926 0.000) 4.981 2.291 ( 2.155 0.455 0.000) 2.203 2.304 ( 0.480 3.856 0.000) 3.886 2.481 ( 8.157 9.843 0.000) 12.783 2.617 ( -3.731 0.933 0.000) 3.846 2.646 ( 5.372 3.357 0.000) 6.335 2.675 ( -1.466 9.861 0.000) 9.969 2.707 ( 0.642 0.986 0.000) 1.177 2.722 ( -2.502 3.179 0.000) 4.046 2.918 ( -0.581 -1.501 0.000) 1.610 2.927 ( -2.320 2.843 0.000) 3.670 2.960 ( 4.085 0.419 0.000) 4.106 3.046 ( -1.042 -1.143 0.000) 1.546 3.284 ( -4.998 -6.469 0.000) 8.175 3.292 ( -3.692 -7.318 0.000) 8.196 3.559 ( 13.627 -0.869 0.000) 13.655 3.681 ( 4.526 -2.767 0.000) 5.304 3.775 ( -5.315 1.947 0.000) 5.660 3.829 ( -13.618 -1.393 0.000) 13.689 4.237 ( 2.194 17.942 0.000) 18.076 4.261 ( 1.071 12.749 0.000) 12.794 4.306 ( 3.210 11.199 0.000) 11.650 4.378 ( -3.179 12.626 0.000) 13.020 5.732 ( 0.279 4.885 0.000) 4.893 5.733 ( 0.384 6.224 0.000) 6.236 5.761 ( 2.812 5.405 0.000) 6.093 5.785 ( 0.781 5.826 0.000) 5.878 5.879 ( -0.347 1.751 0.000) 1.785 5.908 ( -4.129 3.615 0.000) 5.488 5.967 ( 6.484 -3.178 0.000) 7.221 6.079 ( -4.804 -3.021 0.000) 5.675 6.573 ( 0.868 2.864 0.000) 2.993 6.589 ( -0.529 2.822 0.000) 2.872 6.756 ( -1.018 -3.024 0.000) 3.190 6.762 ( -1.353 -0.829 0.000) 1.587 7.003 ( -1.712 0.743 0.000) 1.866 7.006 ( -1.359 1.976 0.000) 2.398 7.102 ( 1.972 -0.175 0.000) 1.980 7.157 ( -3.363 -1.610 0.000) 3.728 7.411 ( 7.550 0.571 0.000) 7.572 7.442 ( 1.934 0.901 0.000) 2.133 7.460 ( 2.373 -1.233 0.000) 2.674 7.572 ( -6.913 -2.127 0.000) 7.232 7.959 ( 6.277 -2.090 0.000) 6.616 7.981 ( 2.702 -2.542 0.000) 3.710 8.057 ( -3.532 -5.271 0.000) 6.345 8.075 ( -4.928 -4.525 0.000) 6.690 8.319 ( 6.038 3.702 0.000) 7.082 8.426 ( 7.118 1.750 0.000) 7.330 8.465 ( -8.485 4.852 0.000) 9.774 8.572 ( -7.761 2.187 0.000) 8.063 8.977 ( 1.352 1.922 0.000) 2.350 8.984 ( 0.777 2.196 0.000) 2.329 9.187 ( 3.893 -2.541 0.000) 4.649 9.217 ( 0.877 -4.047 0.000) 4.140 9.570 ( -0.377 3.372 0.000) 3.393 9.576 ( -1.076 3.344 0.000) 3.512 9.744 ( 2.289 -2.521 0.000) 3.406 9.813 ( -4.482 -3.871 0.000) 5.923 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 0.000 1.662 0.000) 1.662 2.181 ( 0.000 -1.814 0.000) 1.814 2.206 ( 0.000 6.405 0.000) 6.405 2.326 ( 0.000 -3.998 0.000) 3.998 2.433 ( 0.000 5.815 0.000) 5.815 2.486 ( 0.000 0.069 0.000) 0.069 2.593 ( 0.000 2.260 0.000) 2.260 2.653 ( 0.000 -2.306 0.000) 2.306 2.860 ( 0.000 3.374 0.000) 3.374 2.862 ( 0.000 1.778 0.000) 1.778 2.887 ( 0.000 -0.480 0.000) 0.480 2.904 ( 0.000 -1.139 0.000) 1.139 3.005 ( 0.000 2.170 0.000) 2.170 3.101 ( 0.000 -6.550 0.000) 6.550 3.244 ( 0.000 7.564 0.000) 7.564 3.385 ( 0.000 -6.462 0.000) 6.462 3.423 ( 0.000 -0.434 0.000) 0.434 3.437 ( 0.000 -2.399 0.000) 2.399 4.111 ( 0.000 6.944 0.000) 6.944 4.174 ( 0.000 1.089 0.000) 1.089 4.240 ( 0.000 0.280 0.000) 0.280 4.246 ( 0.000 0.126 0.000) 0.126 4.527 ( 0.000 10.769 0.000) 10.769 4.608 ( 0.000 2.677 0.000) 2.677 5.757 ( 0.000 2.871 0.000) 2.871 5.776 ( 0.000 1.294 0.000) 1.294 5.792 ( 0.000 -0.221 0.000) 0.221 5.816 ( 0.000 3.606 0.000) 3.606 5.822 ( 0.000 -3.199 0.000) 3.199 5.832 ( 0.000 2.045 0.000) 2.045 6.110 ( 0.000 1.018 0.000) 1.018 6.134 ( 0.000 -0.950 0.000) 0.950 6.663 ( 0.000 3.873 0.000) 3.873 6.682 ( 0.000 5.376 0.000) 5.376 6.737 ( 0.000 -3.354 0.000) 3.354 6.777 ( 0.000 -2.815 0.000) 2.815 7.082 ( 0.000 1.301 0.000) 1.301 7.105 ( 0.000 -0.819 0.000) 0.819 7.118 ( 0.000 -1.379 0.000) 1.379 7.138 ( 0.000 -2.716 0.000) 2.716 7.247 ( 0.000 3.547 0.000) 3.547 7.311 ( 0.000 -2.609 0.000) 2.609 7.497 ( 0.000 7.860 0.000) 7.860 7.648 ( 0.000 -6.898 0.000) 6.898 7.807 ( 0.000 3.560 0.000) 3.560 7.898 ( 0.000 -5.455 0.000) 5.455 7.980 ( 0.000 3.044 0.000) 3.044 8.070 ( 0.000 -5.466 0.000) 5.466 8.292 ( 0.000 1.257 0.000) 1.257 8.313 ( 0.000 -0.538 0.000) 0.538 8.785 ( 0.000 3.424 0.000) 3.424 8.825 ( 0.000 -0.607 0.000) 0.607 8.943 ( 0.000 1.107 0.000) 1.107 8.960 ( 0.000 2.597 0.000) 2.597 8.966 ( 0.000 -1.343 0.000) 1.343 9.032 ( 0.000 -4.433 0.000) 4.433 9.659 ( 0.000 2.696 0.000) 2.696 9.702 ( 0.000 -1.599 0.000) 1.599 9.717 ( 0.000 5.351 0.000) 5.351 9.825 ( 0.000 -5.231 0.000) 5.231 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 1.150 2.502 0.000) 2.754 2.198 ( -0.762 6.018 0.000) 6.066 2.211 ( 2.529 -2.012 0.000) 3.232 2.313 ( -1.229 -4.325 0.000) 4.496 2.491 ( 6.100 5.154 0.000) 7.986 2.540 ( 5.676 -0.021 0.000) 5.676 2.611 ( 1.794 2.578 0.000) 3.141 2.670 ( 1.608 -2.158 0.000) 2.691 2.840 ( -1.896 2.364 0.000) 3.030 2.859 ( 0.195 5.264 0.000) 5.268 2.881 ( -0.701 -1.616 0.000) 1.761 2.941 ( 3.037 -2.770 0.000) 4.110 2.998 ( -0.447 3.781 0.000) 3.808 3.123 ( 1.112 -8.388 0.000) 8.461 3.175 ( -6.779 7.086 0.000) 9.806 3.310 ( -7.337 -6.235 0.000) 9.628 3.439 ( 3.686 2.481 0.000) 4.443 3.499 ( 5.206 -3.720 0.000) 6.399 3.982 ( -8.889 4.004 0.000) 9.750 4.038 ( -10.708 -1.711 0.000) 10.844 4.324 ( 7.316 5.161 0.000) 8.953 4.367 ( 5.862 1.136 0.000) 5.971 4.522 ( -0.565 9.975 0.000) 9.991 4.594 ( -1.552 2.846 0.000) 3.242 5.781 ( 2.021 2.443 0.000) 3.170 5.790 ( 1.789 2.785 0.000) 3.310 5.819 ( 3.099 -1.301 0.000) 3.361 5.828 ( 1.025 3.656 0.000) 3.797 5.844 ( 1.221 2.172 0.000) 2.492 5.852 ( 2.468 -2.415 0.000) 3.453 6.062 ( -4.423 1.743 0.000) 4.754 6.101 ( -3.559 -2.239 0.000) 4.205 6.642 ( -1.602 3.482 0.000) 3.833 6.677 ( -0.642 5.045 0.000) 5.086 6.713 ( -1.949 -3.575 0.000) 4.071 6.768 ( -1.250 -2.973 0.000) 3.225 7.076 ( -0.732 1.781 0.000) 1.926 7.077 ( -2.902 1.309 0.000) 3.183 7.100 ( -0.419 -0.311 0.000) 0.522 7.134 ( -1.127 -3.947 0.000) 4.104 7.302 ( 5.313 2.674 0.000) 5.948 7.359 ( 4.277 -2.527 0.000) 4.968 7.482 ( -0.665 5.650 0.000) 5.689 7.597 ( -3.684 -5.463 0.000) 6.589 7.864 ( 4.258 2.974 0.000) 5.194 7.950 ( 3.006 -5.453 0.000) 6.227 7.966 ( -1.179 2.344 0.000) 2.624 8.045 ( -2.450 -5.115 0.000) 5.672 8.302 ( 1.940 2.112 0.000) 2.868 8.334 ( 2.778 -0.778 0.000) 2.884 8.701 ( -7.079 2.944 0.000) 7.667 8.735 ( -7.007 -0.349 0.000) 7.016 8.988 ( 2.540 3.128 0.000) 4.030 8.993 ( 3.610 2.413 0.000) 4.343 9.043 ( 5.199 -2.370 0.000) 5.713 9.068 ( 3.226 -4.696 0.000) 5.697 9.650 ( -0.853 2.755 0.000) 2.884 9.695 ( -0.529 -1.776 0.000) 1.853 9.695 ( -2.034 5.008 0.000) 5.405 9.797 ( -2.752 -4.927 0.000) 5.644 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 0.264 4.029 0.000) 4.038 2.184 ( -0.527 5.133 0.000) 5.160 2.254 ( 1.850 -3.332 0.000) 3.811 2.286 ( -1.544 -4.335 0.000) 4.602 2.626 ( 5.779 4.590 0.000) 7.380 2.651 ( 1.780 2.974 0.000) 3.466 2.674 ( 5.915 -0.391 0.000) 5.928 2.703 ( 1.316 -1.574 0.000) 2.052 2.814 ( 0.498 4.771 0.000) 4.797 2.858 ( -1.228 7.708 0.000) 7.805 2.887 ( 2.876 -2.310 0.000) 3.689 2.985 ( -1.381 -4.623 0.000) 4.825 2.993 ( 0.265 3.659 0.000) 3.669 3.025 ( -5.792 5.697 0.000) 8.125 3.117 ( -1.267 -8.258 0.000) 8.355 3.149 ( -7.091 -6.478 0.000) 9.604 3.580 ( 10.604 2.159 0.000) 10.821 3.630 ( 8.325 -2.540 0.000) 8.703 3.800 ( -10.390 0.910 0.000) 10.430 3.815 ( -11.819 -0.520 0.000) 11.830 4.447 ( 4.685 5.226 0.000) 7.019 4.463 ( 4.725 3.703 0.000) 6.003 4.502 ( -1.735 7.809 0.000) 8.000 4.546 ( -3.492 3.367 0.000) 4.850 5.816 ( 1.824 3.660 0.000) 4.089 5.839 ( -0.278 4.141 0.000) 4.150 5.857 ( 4.255 3.746 0.000) 5.669 5.872 ( 1.270 1.749 0.000) 2.162 5.880 ( 1.901 -2.121 0.000) 2.848 5.911 ( 4.569 -2.000 0.000) 4.988 5.962 ( -5.548 1.915 0.000) 5.869 6.011 ( -5.398 -3.199 0.000) 6.274 6.628 ( 0.513 2.747 0.000) 2.794 6.654 ( -1.663 3.539 0.000) 3.910 6.689 ( 0.085 -3.293 0.000) 3.294 6.723 ( -2.932 -2.954 0.000) 4.162 7.043 ( -0.282 2.860 0.000) 2.874 7.056 ( -1.182 2.540 0.000) 2.802 7.094 ( -0.065 -1.011 0.000) 1.013 7.105 ( -1.312 -3.047 0.000) 3.317 7.422 ( 6.451 0.716 0.000) 6.490 7.441 ( 3.529 -0.886 0.000) 3.638 7.477 ( -0.476 2.285 0.000) 2.334 7.526 ( -4.246 -2.403 0.000) 4.879 7.929 ( 2.786 -0.151 0.000) 2.790 7.950 ( -0.105 -0.037 0.000) 0.112 7.964 ( -1.004 -3.473 0.000) 3.615 7.987 ( -3.296 -3.544 0.000) 4.839 8.391 ( 7.173 3.114 0.000) 7.820 8.434 ( 7.340 -0.944 0.000) 7.400 8.548 ( -8.576 3.184 0.000) 9.148 8.588 ( -8.197 -0.653 0.000) 8.223 9.037 ( 1.979 3.845 0.000) 4.324 9.045 ( 1.328 3.597 0.000) 3.834 9.121 ( 2.466 -3.739 0.000) 4.479 9.125 ( 1.928 -4.704 0.000) 5.084 9.637 ( -0.138 3.137 0.000) 3.140 9.654 ( -1.842 4.076 0.000) 4.473 9.694 ( 0.883 -2.556 0.000) 2.704 9.735 ( -3.167 -3.930 0.000) 5.047 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.000 0.000 27.620) 27.620 0.553 ( 0.000 0.000 27.810) 27.810 0.805 ( 0.000 0.000 40.369) 40.369 1.664 ( 0.000 0.000 6.631) 6.631 1.915 ( 0.000 0.000 -14.008) 14.008 1.998 ( 0.000 0.000 3.431) 3.431 2.050 ( 0.000 0.000 3.069) 3.069 2.066 ( 0.000 0.000 -21.962) 21.962 2.183 ( 0.000 0.000 -4.510) 4.510 2.362 ( 0.000 0.000 -0.845) 0.845 2.408 ( 0.000 0.000 2.372) 2.372 2.420 ( 0.000 0.000 -1.926) 1.926 2.450 ( 0.000 0.000 -1.785) 1.785 2.678 ( 0.000 0.000 2.446) 2.446 2.811 ( 0.000 0.000 -1.036) 1.036 2.877 ( 0.000 0.000 12.298) 12.298 2.913 ( 0.000 0.000 -20.933) 20.933 3.409 ( 0.000 0.000 -8.324) 8.324 3.573 ( 0.000 0.000 1.472) 1.472 3.740 ( 0.000 0.000 -4.672) 4.672 3.924 ( 0.000 0.000 2.489) 2.489 3.980 ( 0.000 0.000 16.383) 16.383 4.127 ( 0.000 0.000 -0.696) 0.696 4.688 ( 0.000 0.000 -4.152) 4.152 4.986 ( 0.000 0.000 3.568) 3.568 5.091 ( 0.000 0.000 2.812) 2.812 5.268 ( 0.000 0.000 -2.898) 2.898 5.361 ( 0.000 0.000 -3.703) 3.703 5.453 ( 0.000 0.000 2.081) 2.081 5.547 ( 0.000 0.000 -0.444) 0.444 6.146 ( 0.000 0.000 1.061) 1.061 6.483 ( 0.000 0.000 -3.233) 3.233 6.494 ( 0.000 0.000 8.174) 8.174 6.635 ( 0.000 0.000 6.177) 6.177 6.933 ( 0.000 0.000 -7.159) 7.159 7.034 ( 0.000 0.000 -1.071) 1.071 7.047 ( 0.000 0.000 -0.790) 0.790 7.121 ( 0.000 0.000 0.754) 0.754 7.161 ( 0.000 0.000 -0.106) 0.106 7.311 ( 0.000 0.000 1.412) 1.412 7.319 ( 0.000 0.000 -10.240) 10.240 7.440 ( 0.000 0.000 -1.593) 1.593 7.564 ( 0.000 0.000 1.845) 1.845 7.592 ( 0.000 0.000 -1.391) 1.391 7.630 ( 0.000 0.000 0.478) 0.478 7.660 ( 0.000 0.000 -0.111) 0.111 7.945 ( 0.000 0.000 0.031) 0.031 7.950 ( 0.000 0.000 2.515) 2.515 7.986 ( 0.000 0.000 -0.766) 0.766 8.176 ( 0.000 0.000 7.775) 7.775 8.256 ( 0.000 0.000 -4.519) 4.519 8.399 ( 0.000 0.000 -2.679) 2.679 8.612 ( 0.000 0.000 3.519) 3.519 8.612 ( 0.000 0.000 0.660) 0.660 9.378 ( 0.000 0.000 1.289) 1.289 9.393 ( 0.000 0.000 0.490) 0.490 9.659 ( 0.000 0.000 1.348) 1.348 9.917 ( 0.000 0.000 4.883) 4.883 9.940 ( 0.000 0.000 -3.839) 3.839 10.213 ( 0.000 0.000 -2.769) 2.769 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 15.332 0.000 16.747) 22.705 0.745 ( 17.292 0.000 20.080) 26.499 1.235 ( 31.827 0.000 23.597) 39.621 1.681 ( -5.420 0.000 2.931) 6.162 1.785 ( -3.194 0.000 4.548) 5.557 1.849 ( -13.888 0.000 4.509) 14.601 1.966 ( 1.708 0.000 -13.769) 13.874 2.019 ( -5.436 0.000 -20.545) 21.252 2.283 ( -5.967 0.000 -3.676) 7.008 2.394 ( -0.801 0.000 -0.019) 0.802 2.469 ( 13.638 0.000 -1.463) 13.717 2.487 ( 4.444 0.000 1.452) 4.675 2.514 ( 7.758 0.000 0.554) 7.778 2.663 ( -1.524 0.000 2.763) 3.155 2.705 ( -8.593 0.000 4.613) 9.753 2.798 ( -1.449 0.000 -0.987) 1.753 3.094 ( 10.993 0.000 -14.370) 18.092 3.332 ( -15.226 0.000 -0.186) 15.228 3.379 ( -10.179 0.000 -2.786) 10.554 3.800 ( 5.719 0.000 -0.618) 5.752 3.858 ( -4.873 0.000 1.877) 5.222 4.030 ( 0.215 0.000 12.168) 12.170 4.177 ( 6.394 0.000 -1.591) 6.589 4.643 ( -4.526 0.000 -3.796) 5.907 4.996 ( 1.044 0.000 3.508) 3.661 5.081 ( -0.984 0.000 2.891) 3.053 5.278 ( 0.958 0.000 -2.950) 3.102 5.353 ( -0.843 0.000 -3.605) 3.702 5.490 ( 2.452 0.000 1.539) 2.895 5.606 ( 5.758 0.000 -1.080) 5.859 5.925 ( -13.804 0.000 10.874) 17.572 6.253 ( -14.261 0.000 6.896) 15.841 6.487 ( 1.554 0.000 4.771) 5.018 6.625 ( 1.795 0.000 2.129) 2.785 6.827 ( -3.903 0.000 -6.904) 7.931 6.946 ( -4.903 0.000 -5.499) 7.367 7.131 ( 1.036 0.000 0.683) 1.241 7.170 ( 0.761 0.000 -0.198) 0.786 7.281 ( 8.198 0.000 0.568) 8.218 7.307 ( -0.252 0.000 1.331) 1.355 7.376 ( 5.292 0.000 -2.995) 6.081 7.416 ( -2.304 0.000 -1.230) 2.612 7.608 ( 0.559 0.000 3.794) 3.835 7.633 ( 0.371 0.000 0.371) 0.525 7.659 ( -0.173 0.000 -0.131) 0.217 7.681 ( 7.852 0.000 -2.333) 8.191 7.952 ( 0.693 0.000 -0.069) 0.696 7.985 ( -0.137 0.000 -0.701) 0.714 7.996 ( -6.339 0.000 4.152) 7.578 8.160 ( 0.897 0.000 -5.533) 5.605 8.258 ( 0.477 0.000 -5.480) 5.501 8.383 ( -1.815 0.000 -4.349) 4.712 8.633 ( 6.918 0.000 -0.065) 6.918 8.771 ( 6.831 0.000 -2.565) 7.297 9.335 ( -1.285 0.000 1.017) 1.638 9.422 ( 0.808 0.000 -0.207) 0.834 9.635 ( -1.157 0.000 3.094) 3.303 9.884 ( -3.228 0.000 2.801) 4.273 10.017 ( 5.122 0.000 -1.010) 5.221 10.206 ( -0.845 0.000 -2.510) 2.649 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 20.214 0.000 6.976) 21.384 1.122 ( 20.940 0.000 12.299) 24.285 1.376 ( -17.140 0.000 2.755) 17.360 1.514 ( -19.620 0.000 8.013) 21.194 1.738 ( 12.048 0.000 -5.266) 13.149 1.897 ( -6.565 0.000 -17.912) 19.078 2.045 ( 5.508 0.000 -11.971) 13.177 2.056 ( 25.881 0.000 11.681) 28.395 2.162 ( -6.451 0.000 -7.929) 10.222 2.382 ( -2.007 0.000 7.172) 7.448 2.442 ( -3.518 0.000 8.638) 9.327 2.560 ( 3.400 0.000 2.933) 4.490 2.615 ( -1.787 0.000 2.445) 3.028 2.661 ( 5.388 0.000 0.386) 5.402 2.751 ( -15.094 0.000 5.915) 16.212 2.752 ( -3.580 0.000 -0.716) 3.651 2.956 ( 4.040 0.000 4.107) 5.761 3.197 ( -11.825 0.000 -9.393) 15.102 3.376 ( 14.573 0.000 -15.119) 20.999 3.661 ( -14.083 0.000 -8.131) 16.262 3.931 ( 6.537 0.000 7.083) 9.639 4.021 ( -2.317 0.000 11.449) 11.681 4.336 ( 9.742 0.000 -3.279) 10.279 4.518 ( -8.475 0.000 -3.333) 9.106 5.023 ( 1.654 0.000 3.336) 3.723 5.055 ( -1.615 0.000 3.097) 3.492 5.302 ( 1.490 0.000 -3.116) 3.454 5.331 ( -1.420 0.000 -3.368) 3.655 5.549 ( 4.200 0.000 3.411) 5.410 5.645 ( -4.465 0.000 3.795) 5.860 5.841 ( 6.199 0.000 2.989) 6.882 6.017 ( -10.896 0.000 3.189) 11.353 6.544 ( 3.921 0.000 3.277) 5.111 6.616 ( -2.826 0.000 2.619) 3.853 6.790 ( 0.609 0.000 -9.176) 9.196 6.845 ( -4.746 0.000 -8.452) 9.693 7.156 ( 1.441 0.000 0.439) 1.506 7.176 ( -0.387 0.000 -0.028) 0.388 7.316 ( 1.510 0.000 0.702) 1.665 7.362 ( -3.001 0.000 -0.380) 3.025 7.434 ( 6.556 0.000 6.935) 9.543 7.476 ( 3.460 0.000 2.601) 4.329 7.607 ( 1.944 0.000 2.885) 3.479 7.643 ( 0.558 0.000 0.140) 0.575 7.653 ( -0.454 0.000 -0.063) 0.458 7.735 ( -7.068 0.000 -0.476) 7.084 7.935 ( 6.146 0.000 2.846) 6.773 7.967 ( 0.778 0.000 -0.294) 0.832 7.979 ( -0.448 0.000 -0.528) 0.693 8.085 ( -7.295 0.000 -0.641) 7.323 8.297 ( 2.645 0.000 -8.010) 8.435 8.345 ( -2.280 0.000 -6.564) 6.948 8.765 ( 5.636 0.000 -1.771) 5.908 8.828 ( -0.582 0.000 -2.027) 2.109 9.348 ( 2.325 0.000 -2.223) 3.217 9.402 ( -2.689 0.000 -3.799) 4.655 9.668 ( 4.790 0.000 7.420) 8.832 9.785 ( -6.495 0.000 6.243) 9.009 10.110 ( 4.319 0.000 -1.366) 4.530 10.175 ( -2.477 0.000 -1.877) 3.108 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.000 18.026 14.345) 23.037 0.757 ( 0.000 18.082 18.754) 26.052 1.320 ( 0.000 36.183 27.043) 45.172 1.680 ( 0.000 2.057 6.302) 6.630 1.822 ( 0.000 -4.171 -8.882) 9.812 2.074 ( 0.000 1.421 -19.420) 19.472 2.091 ( 0.000 5.719 4.753) 7.436 2.192 ( 0.000 1.071 -4.251) 4.384 2.200 ( 0.000 11.779 -3.512) 12.292 2.428 ( 0.000 5.679 -0.236) 5.684 2.468 ( 0.000 2.325 -1.839) 2.965 2.493 ( 0.000 8.268 3.846) 9.119 2.523 ( 0.000 8.864 -2.563) 9.227 2.738 ( 0.000 5.617 1.106) 5.725 2.824 ( 0.000 0.507 2.689) 2.737 2.904 ( 0.000 3.456 7.431) 8.196 2.972 ( 0.000 5.730 -17.690) 18.594 3.422 ( 0.000 1.433 -9.427) 9.536 3.611 ( 0.000 3.646 1.257) 3.857 3.693 ( 0.000 -3.994 -1.934) 4.437 3.925 ( 0.000 1.170 2.238) 2.525 3.965 ( 0.000 -1.594 15.537) 15.619 4.084 ( 0.000 -3.972 -0.431) 3.995 4.622 ( 0.000 -6.372 -4.002) 7.525 5.054 ( 0.000 6.264 2.907) 6.906 5.138 ( 0.000 4.606 4.141) 6.194 5.377 ( 0.000 4.226 -5.191) 6.693 5.490 ( 0.000 11.680 -8.008) 14.161 5.502 ( 0.000 4.747 1.194) 4.895 5.554 ( 0.000 1.240 -0.166) 1.251 6.083 ( 0.000 -5.877 4.646) 7.491 6.487 ( 0.000 -3.346 1.043) 3.505 6.489 ( 0.000 -1.194 7.992) 8.081 6.517 ( 0.000 -6.727 -1.491) 6.890 6.550 ( 0.000 -13.402 12.421) 18.272 6.919 ( 0.000 -0.939 -5.958) 6.032 7.003 ( 0.000 -2.113 -0.843) 2.274 7.149 ( 0.000 1.013 1.800) 2.065 7.191 ( 0.000 -0.603 -0.309) 0.677 7.266 ( 0.000 -0.174 0.540) 0.568 7.282 ( 0.000 -2.763 -6.718) 7.263 7.400 ( 0.000 -2.192 1.051) 2.431 7.593 ( 0.000 -2.142 3.423) 4.038 7.639 ( 0.000 0.979 0.386) 1.052 7.721 ( 0.000 11.214 -0.460) 11.223 7.786 ( 0.000 9.992 -0.916) 10.034 7.968 ( 0.000 -0.888 0.008) 0.888 7.985 ( 0.000 3.626 -0.863) 3.728 8.101 ( 0.000 -0.547 6.312) 6.336 8.332 ( 0.000 5.547 -3.940) 6.804 8.408 ( 0.000 1.538 -2.292) 2.760 8.455 ( 0.000 9.145 -12.605) 15.573 8.647 ( 0.000 3.582 2.164) 4.185 8.676 ( 0.000 8.024 -3.227) 8.648 9.338 ( 0.000 -3.786 1.163) 3.961 9.358 ( 0.000 -2.399 -0.833) 2.539 9.622 ( 0.000 -3.429 1.539) 3.759 9.884 ( 0.000 -3.129 5.157) 6.032 9.907 ( 0.000 -2.825 -4.028) 4.920 10.193 ( 0.000 -1.964 -2.838) 3.451 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 13.888 15.512 9.525) 22.896 0.929 ( 14.952 15.360 15.158) 26.254 1.530 ( 15.534 22.272 14.433) 30.752 1.683 ( -6.906 1.686 -0.282) 7.114 1.779 ( 7.355 4.142 8.923) 12.283 1.933 ( -11.403 6.808 3.153) 13.650 2.039 ( -6.717 3.456 -13.820) 15.750 2.112 ( 2.075 9.459 -13.827) 16.881 2.377 ( -5.418 8.463 -3.558) 10.660 2.397 ( 0.485 0.670 -0.011) 0.827 2.444 ( 6.933 0.170 -0.776) 6.978 2.555 ( 4.172 5.531 1.101) 7.015 2.585 ( 4.520 6.822 3.039) 8.730 2.724 ( 0.393 4.866 1.051) 4.993 2.773 ( -3.390 6.268 5.234) 8.841 2.841 ( -2.025 4.272 -1.144) 4.864 3.125 ( 10.115 3.071 -13.487) 17.136 3.358 ( -8.772 1.994 -7.749) 11.873 3.423 ( -15.190 5.212 3.637) 16.466 3.762 ( 6.294 -3.514 0.909) 7.266 3.849 ( -5.463 -0.682 1.549) 5.719 4.001 ( -0.012 -2.863 10.716) 11.091 4.145 ( 6.309 -2.645 -1.096) 6.928 4.580 ( -4.342 -6.176 -3.687) 8.402 5.065 ( 1.064 6.302 2.972) 7.049 5.133 ( -0.495 4.953 3.875) 6.308 5.367 ( -0.691 4.853 -4.427) 6.605 5.420 ( -2.506 6.219 -2.268) 7.078 5.543 ( 0.669 4.844 -0.554) 4.921 5.632 ( 6.361 3.349 -1.638) 7.373 5.909 ( -10.650 -0.976 8.685) 13.777 6.231 ( -12.880 -2.375 5.289) 14.125 6.485 ( 1.689 0.006 3.077) 3.510 6.579 ( 3.385 -3.951 3.047) 6.029 6.722 ( 2.470 -7.692 -6.192) 10.179 6.906 ( -4.051 -2.351 -5.870) 7.510 7.088 ( 8.141 -5.639 1.425) 10.005 7.156 ( 1.255 0.594 1.097) 1.769 7.230 ( 3.667 1.058 -0.840) 3.908 7.274 ( 1.533 -2.752 3.934) 5.040 7.340 ( 4.949 -2.150 -1.847) 5.703 7.434 ( 1.529 -0.009 -2.165) 2.651 7.552 ( -2.227 -3.483 5.076) 6.546 7.673 ( 2.052 2.525 -1.134) 3.446 7.740 ( 2.742 6.390 -1.074) 7.036 7.788 ( 0.045 9.672 -1.220) 9.749 7.903 ( -5.610 -3.031 2.119) 6.720 7.982 ( -0.341 2.801 -1.085) 3.023 8.075 ( -2.336 4.005 4.439) 6.419 8.282 ( -7.959 4.412 -2.823) 9.528 8.342 ( -2.223 3.687 -4.814) 6.458 8.397 ( -1.312 2.899 -4.319) 5.365 8.732 ( 5.948 7.363 -3.980) 10.268 8.802 ( 7.692 3.351 -1.909) 8.604 9.292 ( -1.874 -3.688 0.024) 4.137 9.383 ( 0.513 -3.300 -0.744) 3.421 9.605 ( -0.579 -2.699 3.236) 4.254 9.852 ( -3.216 -2.947 3.908) 5.857 9.972 ( 5.076 -3.850 -1.456) 6.535 10.181 ( -1.231 -2.312 -2.637) 3.717 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 17.238 9.882 5.633) 20.653 1.254 ( 18.024 11.829 10.527) 23.992 1.426 ( -14.335 4.981 2.927) 15.456 1.598 ( -16.444 7.880 7.203) 19.606 1.794 ( 6.355 4.883 -5.789) 9.886 1.912 ( -5.822 2.448 -15.135) 16.400 2.143 ( 9.793 9.899 -4.362) 14.592 2.231 ( 14.720 12.728 0.149) 19.460 2.262 ( -3.785 9.216 -5.689) 11.472 2.391 ( 2.825 1.399 8.044) 8.639 2.448 ( -1.182 2.503 6.311) 6.891 2.637 ( 3.113 6.550 4.284) 8.423 2.658 ( 2.089 3.737 1.039) 4.405 2.728 ( -0.585 7.299 2.683) 7.798 2.789 ( -3.769 4.637 -1.150) 6.085 2.836 ( -8.264 6.623 1.344) 10.676 3.002 ( -2.239 5.044 6.634) 8.629 3.203 ( -10.556 0.560 -8.651) 13.660 3.397 ( 12.478 2.340 -12.863) 18.073 3.656 ( -13.206 -0.386 -6.951) 14.928 3.898 ( 6.783 -3.098 6.746) 10.055 3.992 ( -2.468 -2.711 10.606) 11.222 4.291 ( 8.923 -4.253 -3.282) 10.416 4.460 ( -7.998 -5.560 -3.269) 10.275 5.091 ( 1.524 6.222 3.116) 7.123 5.117 ( -1.167 5.709 3.393) 6.743 5.365 ( 0.554 4.833 -3.187) 5.815 5.385 ( -1.408 4.909 -2.629) 5.744 5.577 ( 3.194 2.772 2.743) 5.040 5.660 ( -4.442 1.600 3.741) 6.024 5.860 ( 6.024 2.041 1.584) 6.555 6.018 ( -9.701 0.089 2.221) 9.952 6.535 ( 3.145 -0.781 2.283) 3.964 6.589 ( -1.917 -2.515 2.253) 3.883 6.751 ( 2.163 -2.761 -8.498) 9.193 6.816 ( -4.468 -2.078 -7.631) 9.083 7.167 ( 1.805 0.032 1.939) 2.649 7.186 ( 0.218 0.043 1.584) 1.599 7.317 ( 4.163 -0.513 0.023) 4.194 7.337 ( 4.442 -3.235 4.886) 7.353 7.392 ( -1.121 -3.999 2.815) 5.017 7.422 ( -2.311 0.733 0.637) 2.507 7.570 ( 5.629 -1.887 2.553) 6.463 7.697 ( -2.866 -0.195 -0.768) 2.973 7.759 ( -1.848 4.298 -1.040) 4.792 7.774 ( -1.579 8.625 -1.306) 8.865 7.872 ( 6.033 -1.855 -1.379) 6.461 7.965 ( -2.013 0.210 -2.068) 2.894 8.046 ( -0.006 4.839 3.558) 6.007 8.114 ( -7.651 2.485 1.273) 8.145 8.343 ( 1.055 2.904 -5.542) 6.345 8.369 ( -1.547 2.206 -5.260) 5.910 8.836 ( 4.430 5.592 -1.765) 7.349 8.881 ( 0.407 4.889 -1.633) 5.171 9.298 ( 2.365 -4.537 -2.794) 5.830 9.357 ( -3.008 -4.079 -4.174) 6.566 9.645 ( 4.783 -2.122 7.396) 9.060 9.758 ( -6.187 -2.501 6.557) 9.356 10.069 ( 4.681 -3.735 -1.648) 6.211 10.143 ( -2.917 -3.080 -2.109) 4.737 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 24.815 2.477) 24.938 1.172 ( 0.000 21.552 10.377) 23.920 1.757 ( 0.000 5.006 6.940) 8.557 1.785 ( 0.000 1.260 -8.020) 8.118 2.053 ( 0.000 25.397 4.299) 25.758 2.159 ( 0.000 12.431 -6.515) 14.034 2.235 ( 0.000 8.149 3.347) 8.809 2.240 ( 0.000 6.728 -1.373) 6.867 2.404 ( 0.000 7.791 -2.334) 8.133 2.521 ( 0.000 4.670 0.338) 4.682 2.590 ( 0.000 8.244 0.670) 8.271 2.701 ( 0.000 9.153 4.697) 10.288 2.717 ( 0.000 7.927 0.686) 7.957 2.842 ( 0.000 3.030 -1.044) 3.205 2.897 ( 0.000 9.725 -1.514) 9.842 3.020 ( 0.000 7.621 3.742) 8.490 3.152 ( 0.000 12.956 -10.529) 16.694 3.469 ( 0.000 2.877 -10.621) 11.004 3.596 ( 0.000 -5.129 1.834) 5.447 3.711 ( 0.000 5.861 0.570) 5.889 3.912 ( 0.000 -3.658 10.692) 11.300 3.973 ( 0.000 3.340 0.456) 3.371 3.997 ( 0.000 -3.330 2.081) 3.927 4.437 ( 0.000 -11.568 -3.218) 12.007 5.210 ( 0.000 8.556 2.508) 8.916 5.277 ( 0.000 9.004 5.316) 10.457 5.473 ( 0.000 5.250 -3.314) 6.208 5.562 ( 0.000 1.224 1.021) 1.594 5.633 ( 0.000 7.741 -0.455) 7.755 5.719 ( 0.000 8.972 -5.020) 10.281 5.983 ( 0.000 -2.806 2.981) 4.094 6.244 ( 0.000 -13.177 0.602) 13.191 6.424 ( 0.000 -0.679 6.676) 6.711 6.522 ( 0.000 1.903 1.450) 2.392 6.531 ( 0.000 1.681 -4.282) 4.600 6.905 ( 0.000 -0.799 -4.298) 4.371 6.981 ( 0.000 0.199 -1.280) 1.295 7.131 ( 0.000 -2.990 1.355) 3.282 7.151 ( 0.000 -0.408 2.387) 2.421 7.208 ( 0.000 -3.456 -7.235) 8.018 7.356 ( 0.000 5.915 2.813) 6.550 7.356 ( 0.000 -2.206 1.656) 2.758 7.546 ( 0.000 -2.451 3.494) 4.268 7.657 ( 0.000 0.040 3.787) 3.787 7.927 ( 0.000 7.733 -3.374) 8.437 7.978 ( 0.000 2.712 -1.147) 2.945 7.979 ( 0.000 7.066 -1.134) 7.157 8.053 ( 0.000 -0.569 4.728) 4.762 8.085 ( 0.000 3.706 -1.764) 4.104 8.375 ( 0.000 -0.263 -0.718) 0.765 8.488 ( 0.000 -1.006 -1.822) 2.081 8.519 ( 0.000 7.641 -3.265) 8.309 8.754 ( 0.000 6.481 0.052) 6.481 8.797 ( 0.000 2.910 -0.176) 2.915 9.237 ( 0.000 -5.824 0.756) 5.873 9.318 ( 0.000 -1.591 -4.103) 4.401 9.540 ( 0.000 -4.054 2.181) 4.604 9.800 ( 0.000 -4.872 5.868) 7.626 9.839 ( 0.000 -3.660 -4.320) 5.662 10.139 ( 0.000 -3.258 -3.004) 4.432 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 7.661 21.919 2.711) 23.377 1.294 ( 11.481 19.579 8.898) 24.379 1.712 ( -6.197 4.275 -3.703) 8.390 1.781 ( 2.573 5.738 4.726) 7.866 2.081 ( -7.236 7.314 -7.653) 12.823 2.150 ( -8.269 8.156 -0.560) 11.628 2.192 ( 9.128 17.075 0.399) 19.366 2.310 ( 9.124 18.827 3.260) 21.174 2.424 ( 1.941 2.451 -0.545) 3.174 2.498 ( -0.391 5.721 0.273) 5.741 2.574 ( -4.897 8.124 -0.678) 9.510 2.675 ( 2.812 6.984 1.028) 7.599 2.792 ( 2.886 10.504 3.995) 11.602 2.836 ( 2.379 5.155 -0.943) 5.755 2.926 ( 2.024 9.901 -0.908) 10.146 2.986 ( -2.321 10.009 2.590) 10.596 3.225 ( 5.101 7.520 -10.269) 13.712 3.419 ( -4.407 4.132 -8.311) 10.274 3.586 ( -12.624 9.799 4.509) 16.604 3.675 ( 5.961 -4.143 1.403) 7.393 3.833 ( -7.192 -0.845 2.604) 7.696 3.919 ( 0.669 -4.735 7.011) 8.487 4.091 ( 3.906 -2.340 -0.640) 4.598 4.401 ( -3.721 -11.162 -3.052) 12.155 5.223 ( 1.193 8.655 2.575) 9.109 5.276 ( -0.194 8.891 4.810) 10.110 5.467 ( -0.507 5.183 -2.961) 5.990 5.526 ( -2.427 4.003 0.496) 4.707 5.637 ( 0.179 4.907 -0.622) 4.950 5.750 ( 1.342 6.311 -0.877) 6.512 5.916 ( -3.744 2.235 1.413) 4.584 6.146 ( -7.210 -6.040 1.370) 9.505 6.483 ( 3.802 -1.888 2.609) 4.983 6.508 ( 0.645 -0.082 1.153) 1.323 6.631 ( 5.355 -1.358 -5.196) 7.584 6.867 ( -4.098 -1.563 -5.366) 6.930 7.029 ( 5.915 -0.604 0.825) 6.003 7.143 ( 1.225 -2.458 1.451) 3.106 7.172 ( 1.627 -2.256 4.038) 4.903 7.272 ( 4.519 -1.979 -2.122) 5.370 7.351 ( 2.363 2.410 -0.346) 3.393 7.408 ( 1.157 -1.502 -0.403) 1.938 7.499 ( -0.859 -0.983 6.963) 7.085 7.690 ( 0.487 -1.359 0.307) 1.476 7.885 ( -2.239 5.042 -3.292) 6.424 7.894 ( -4.888 3.315 -0.445) 5.923 7.987 ( -0.077 8.031 -2.494) 8.409 8.059 ( -1.384 5.242 -2.631) 6.026 8.126 ( 2.378 1.531 3.688) 4.648 8.328 ( -7.754 -0.220 -0.877) 7.806 8.383 ( -2.587 2.559 0.538) 3.678 8.488 ( -3.267 5.168 -2.066) 6.454 8.850 ( 4.890 4.470 -0.222) 6.629 8.876 ( 8.178 2.970 -1.571) 8.841 9.202 ( -2.494 -5.188 -1.937) 6.073 9.319 ( -0.780 -2.310 -3.069) 3.920 9.541 ( 0.783 -3.111 3.725) 4.916 9.774 ( -2.777 -4.476 5.724) 7.779 9.881 ( 4.075 -4.768 -2.800) 6.869 10.118 ( -2.087 -3.719 -2.885) 5.149 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 10.369 15.628 3.141) 19.016 1.542 ( 7.201 14.299 4.570) 16.649 1.582 ( -1.239 11.503 3.946) 12.224 1.804 ( -6.853 11.295 4.040) 13.815 1.918 ( -1.921 7.591 -2.316) 8.165 2.001 ( -6.489 6.118 -8.253) 12.151 2.321 ( 3.805 5.257 -7.501) 9.919 2.372 ( -2.780 3.923 -1.655) 5.084 2.460 ( -0.587 6.917 0.959) 7.008 2.496 ( -0.985 7.781 -2.265) 8.163 2.695 ( 18.495 19.838 8.861) 28.533 2.741 ( 4.822 5.248 -1.159) 7.221 2.820 ( 0.782 10.028 1.110) 10.119 2.909 ( 2.079 8.507 0.269) 8.762 2.943 ( -1.525 10.655 2.989) 11.171 3.002 ( 4.201 10.762 -2.013) 11.727 3.183 ( -13.390 10.836 5.054) 17.952 3.240 ( -10.284 6.045 -3.268) 12.369 3.477 ( 6.247 5.686 -6.056) 10.394 3.651 ( -10.203 -0.021 -3.304) 10.724 3.819 ( 7.230 -4.154 5.160) 9.806 3.923 ( -2.572 -3.685 7.469) 8.716 4.175 ( 5.904 -6.959 -3.213) 9.675 4.301 ( -6.466 -9.826 -2.912) 12.118 5.249 ( 1.326 8.760 2.826) 9.299 5.268 ( -0.686 8.746 3.642) 9.499 5.465 ( 0.530 4.842 -1.781) 5.186 5.487 ( -1.669 4.621 -0.696) 4.963 5.653 ( 1.832 4.277 1.609) 4.923 5.711 ( -3.928 3.358 3.393) 6.182 5.929 ( 3.925 4.587 -1.725) 6.279 6.022 ( -5.625 0.238 -0.170) 5.633 6.521 ( 1.139 -0.362 0.142) 1.204 6.531 ( 0.482 -2.517 1.153) 2.811 6.712 ( 3.649 -0.969 -6.077) 7.154 6.784 ( -4.120 -0.906 -5.845) 7.208 7.144 ( 4.226 -1.451 2.559) 5.149 7.173 ( 0.912 -1.686 2.417) 3.084 7.204 ( 2.634 -5.498 6.433) 8.863 7.281 ( -3.791 -5.183 5.789) 8.646 7.399 ( 4.022 3.774 -1.298) 5.666 7.464 ( 0.869 0.841 -4.573) 4.730 7.530 ( 4.657 -1.446 4.317) 6.512 7.646 ( -4.621 -3.292 -0.384) 5.686 7.837 ( 0.321 2.478 -4.006) 4.721 7.873 ( -0.919 2.366 -5.465) 6.025 7.979 ( 0.403 8.756 -3.212) 9.336 8.020 ( -2.723 6.095 -3.779) 7.671 8.140 ( 0.127 4.213 4.608) 6.245 8.181 ( -5.240 3.858 3.830) 7.551 8.384 ( 1.484 1.447 -0.488) 2.130 8.426 ( -2.837 2.923 -1.338) 4.287 8.941 ( 4.119 3.751 0.181) 5.574 8.980 ( 1.256 3.634 -0.419) 3.867 9.191 ( 2.451 -5.091 -5.077) 7.597 9.269 ( -4.232 -3.463 -5.459) 7.727 9.594 ( 4.633 -2.566 7.099) 8.857 9.695 ( -5.250 -3.463 6.943) 9.368 9.973 ( 5.037 -5.389 -2.308) 7.729 10.061 ( -3.914 -4.743 -2.557) 6.660 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 19.809 5.743) 20.624 1.605 ( 0.000 22.092 -0.106) 22.092 1.842 ( 0.000 5.506 -1.224) 5.640 1.898 ( 0.000 7.060 2.613) 7.528 2.206 ( 0.000 3.980 -10.921) 11.624 2.276 ( 0.000 3.039 -3.804) 4.869 2.404 ( 0.000 8.197 0.375) 8.206 2.540 ( 0.000 6.218 0.582) 6.245 2.577 ( 0.000 6.559 -0.236) 6.564 2.735 ( 0.000 2.697 2.421) 3.624 2.761 ( 0.000 8.881 5.777) 10.595 2.809 ( 0.000 2.472 3.628) 4.390 2.925 ( 0.000 17.364 -2.723) 17.576 2.985 ( 0.000 18.712 1.011) 18.739 3.061 ( 0.000 5.493 -1.081) 5.598 3.195 ( 0.000 8.613 3.638) 9.350 3.478 ( 0.000 8.453 -7.270) 11.149 3.506 ( 0.000 6.526 -7.020) 9.585 3.524 ( 0.000 -0.457 5.527) 5.546 3.832 ( 0.000 4.851 -2.288) 5.363 3.853 ( 0.000 1.660 7.443) 7.626 3.997 ( 0.000 3.726 2.293) 4.375 4.044 ( 0.000 2.388 -1.505) 2.823 4.179 ( 0.000 -12.135 -0.411) 12.142 5.395 ( 0.000 9.597 4.094) 10.434 5.470 ( 0.000 9.193 3.438) 9.815 5.582 ( 0.000 5.149 -1.679) 5.415 5.599 ( 0.000 2.628 1.407) 2.981 5.797 ( 0.000 8.101 -2.048) 8.355 5.856 ( 0.000 4.148 0.849) 4.234 5.973 ( 0.000 1.748 -2.525) 3.071 6.002 ( 0.000 -10.134 -0.059) 10.134 6.442 ( 0.000 1.951 3.298) 3.832 6.560 ( 0.000 1.163 -3.589) 3.773 6.576 ( 0.000 3.277 -2.580) 4.171 6.867 ( 0.000 -2.878 -5.120) 5.873 7.026 ( 0.000 4.085 -0.473) 4.113 7.093 ( 0.000 -0.954 1.885) 2.113 7.149 ( 0.000 0.530 3.194) 3.237 7.153 ( 0.000 -1.575 -2.723) 3.146 7.312 ( 0.000 -2.079 0.626) 2.172 7.435 ( 0.000 -0.708 3.276) 3.352 7.529 ( 0.000 3.027 1.373) 3.323 7.622 ( 0.000 -3.401 8.685) 9.327 7.984 ( 0.000 -4.009 1.983) 4.473 8.007 ( 0.000 2.206 -8.638) 8.916 8.040 ( 0.000 -0.505 1.987) 2.050 8.079 ( 0.000 4.352 -2.888) 5.223 8.215 ( 0.000 5.277 -6.904) 8.689 8.363 ( 0.000 -0.524 1.430) 1.523 8.486 ( 0.000 2.039 4.100) 4.579 8.659 ( 0.000 5.712 -3.728) 6.820 8.837 ( 0.000 1.841 2.393) 3.020 8.876 ( 0.000 4.837 0.261) 4.844 9.123 ( 0.000 -4.853 0.280) 4.861 9.279 ( 0.000 -2.603 -4.369) 5.086 9.485 ( 0.000 -0.893 2.477) 2.633 9.704 ( 0.000 -4.077 6.557) 7.721 9.771 ( 0.000 -2.802 -3.958) 4.850 10.066 ( 0.000 -3.823 -3.096) 4.920 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 3.043 20.037 0.700) 20.279 1.686 ( 8.632 18.481 4.435) 20.874 1.829 ( -1.922 7.273 -2.456) 7.914 1.917 ( 3.159 7.336 4.988) 9.417 2.200 ( -3.840 4.503 -8.571) 10.415 2.318 ( 5.757 4.426 -6.981) 10.073 2.349 ( -7.421 10.025 3.399) 12.928 2.484 ( -0.965 3.910 -2.143) 4.562 2.580 ( -0.596 6.168 -1.086) 6.291 2.683 ( -5.421 4.655 3.583) 7.994 2.780 ( 0.266 5.083 -0.031) 5.090 2.845 ( 5.585 2.834 1.253) 6.387 2.946 ( 2.422 10.678 -1.145) 11.009 3.031 ( 5.144 18.788 4.842) 20.073 3.142 ( 5.298 12.189 0.320) 13.294 3.185 ( -0.376 7.968 2.200) 8.274 3.430 ( -3.721 7.865 -3.451) 9.360 3.527 ( 1.732 6.588 -4.787) 8.326 3.592 ( 5.741 -0.807 1.517) 5.993 3.802 ( -4.431 6.501 6.125) 9.971 3.859 ( 0.912 2.402 -1.767) 3.118 3.864 ( -9.692 7.042 3.557) 12.497 4.052 ( -1.296 -2.200 -1.637) 3.033 4.155 ( -2.493 -11.363 -0.713) 11.655 5.406 ( 1.092 9.383 3.666) 10.133 5.464 ( -0.625 8.896 2.893) 9.376 5.573 ( -0.751 5.075 -1.232) 5.276 5.594 ( -0.552 3.351 1.400) 3.674 5.755 ( -2.458 6.365 -1.049) 6.903 5.840 ( -2.328 2.806 2.359) 4.343 5.985 ( 1.314 0.827 -3.091) 3.459 6.021 ( 1.234 -2.584 -1.448) 3.209 6.464 ( 2.052 0.623 2.725) 3.467 6.536 ( -0.799 1.789 -2.014) 2.810 6.634 ( 3.931 1.328 -3.977) 5.748 6.834 ( -3.019 -1.967 -5.274) 6.387 7.048 ( 2.537 1.873 1.227) 3.384 7.093 ( 0.279 -1.531 2.678) 3.097 7.149 ( 0.289 -0.386 3.330) 3.364 7.234 ( 4.916 -1.395 -0.823) 5.176 7.317 ( 0.320 -3.440 -0.086) 3.456 7.403 ( -0.805 -0.833 3.117) 3.326 7.535 ( 1.240 2.971 4.404) 5.455 7.640 ( -0.243 -2.412 0.600) 2.497 7.900 ( -4.400 -1.917 -2.615) 5.466 7.974 ( -2.641 2.059 -7.151) 7.896 8.093 ( 2.731 2.532 1.047) 3.869 8.149 ( 4.679 2.791 0.028) 5.448 8.193 ( -1.672 4.510 -5.433) 7.256 8.329 ( -3.079 1.087 1.380) 3.545 8.435 ( -3.623 2.979 5.354) 7.118 8.585 ( -6.235 4.052 -0.509) 7.453 8.875 ( 4.194 0.089 -0.860) 4.282 8.968 ( 5.873 4.225 1.684) 7.428 9.099 ( -1.392 -4.100 -3.228) 5.400 9.287 ( -0.191 -1.528 -3.710) 4.017 9.499 ( 1.616 -0.734 3.502) 3.926 9.686 ( -1.990 -3.879 6.617) 7.924 9.793 ( 2.483 -3.702 -3.294) 5.543 10.038 ( -2.902 -4.147 -3.000) 5.884 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 3.939 15.263 1.610) 15.845 1.776 ( -3.141 10.853 0.754) 11.323 1.886 ( 10.862 14.603 0.794) 18.217 2.013 ( 5.366 10.128 3.724) 12.051 2.087 ( -6.549 7.512 -5.380) 11.325 2.180 ( -8.837 12.203 3.655) 15.504 2.406 ( 2.525 4.196 -5.012) 7.008 2.450 ( -2.645 4.056 -1.616) 5.104 2.582 ( 1.262 5.178 -2.574) 5.919 2.620 ( -1.995 4.720 -2.215) 5.582 2.818 ( 4.228 1.772 -4.524) 6.441 2.890 ( -1.650 2.854 -2.676) 4.245 3.022 ( 4.852 4.562 2.960) 7.288 3.091 ( -1.527 5.913 3.966) 7.282 3.238 ( 5.060 8.836 -0.040) 10.183 3.278 ( 11.909 24.397 5.314) 27.663 3.343 ( -4.988 8.389 -1.302) 9.847 3.526 ( -6.733 14.763 0.926) 16.252 3.642 ( -6.076 10.118 2.443) 12.052 3.663 ( -2.296 1.694 2.541) 3.821 3.774 ( 5.339 2.261 2.105) 6.168 3.878 ( -2.500 0.561 0.595) 2.630 4.027 ( 0.899 -6.851 -2.716) 7.425 4.089 ( -4.077 -9.550 -1.615) 10.509 5.429 ( 1.178 8.872 2.584) 9.316 5.449 ( -0.900 8.616 2.134) 8.922 5.564 ( 0.068 5.037 -0.122) 5.039 5.576 ( -1.086 4.585 0.739) 4.769 5.740 ( 0.981 4.337 1.282) 4.627 5.783 ( -3.112 3.379 2.615) 5.286 6.013 ( 1.469 1.483 -3.109) 3.745 6.032 ( -0.267 2.270 -2.842) 3.647 6.504 ( 1.808 -0.003 1.202) 2.171 6.526 ( -0.577 0.937 -0.268) 1.133 6.707 ( 3.569 0.347 -4.496) 5.751 6.772 ( -3.284 -0.594 -4.596) 5.680 7.095 ( 1.923 -3.953 5.391) 6.956 7.121 ( 1.595 -1.477 1.932) 2.908 7.145 ( 0.066 -1.687 3.467) 3.856 7.200 ( -4.051 -2.325 6.049) 7.642 7.437 ( 8.954 -2.594 -4.233) 10.239 7.446 ( 3.784 0.967 -0.703) 3.968 7.520 ( -2.754 -0.630 2.265) 3.621 7.595 ( -5.430 -1.614 -1.483) 5.856 7.857 ( 1.255 -0.041 -6.785) 6.900 7.919 ( -3.615 1.823 -8.028) 8.991 8.144 ( 1.937 7.158 -0.804) 7.459 8.157 ( -0.675 5.907 -3.131) 6.720 8.216 ( 1.795 3.104 4.282) 5.586 8.270 ( -3.168 5.309 3.280) 6.999 8.401 ( 1.176 -0.133 4.247) 4.408 8.470 ( -5.257 1.189 1.495) 5.593 8.953 ( 3.533 -1.369 -0.837) 3.880 9.005 ( -1.765 -1.573 1.155) 2.631 9.144 ( 5.640 1.250 -5.698) 8.114 9.245 ( -4.166 0.448 -4.779) 6.355 9.552 ( 3.821 -1.352 5.854) 7.120 9.629 ( -3.793 -2.798 6.573) 8.088 9.865 ( 4.832 -4.952 -2.663) 7.413 9.961 ( -4.830 -4.834 -2.761) 7.371 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.000 12.068 1.836) 12.206 1.997 ( 0.000 11.308 2.257) 11.531 1.998 ( 0.000 16.421 -0.654) 16.434 2.030 ( 0.000 5.567 2.261) 6.008 2.248 ( 0.000 0.032 -4.367) 4.367 2.345 ( 0.000 3.965 -3.482) 5.277 2.554 ( 0.000 6.280 -1.883) 6.557 2.663 ( 0.000 5.935 1.897) 6.231 2.688 ( 0.000 2.326 2.368) 3.319 2.735 ( 0.000 0.935 -6.024) 6.096 2.838 ( 0.000 1.070 3.129) 3.307 2.913 ( 0.000 6.144 -0.908) 6.211 2.996 ( 0.000 0.823 1.092) 1.367 3.110 ( 0.000 -0.870 2.477) 2.625 3.302 ( 0.000 2.298 7.547) 7.890 3.417 ( 0.000 -4.320 -5.378) 6.898 3.551 ( 0.000 12.190 -4.880) 13.131 3.622 ( 0.000 -1.546 -1.681) 2.283 3.641 ( 0.000 18.782 1.683) 18.857 3.902 ( 0.000 -6.699 4.361) 7.993 3.929 ( 0.000 6.291 -4.976) 8.021 4.063 ( 0.000 9.915 -0.158) 9.917 4.150 ( 0.000 14.236 3.171) 14.585 4.176 ( 0.000 6.149 1.953) 6.451 5.584 ( 0.000 8.549 4.807) 9.808 5.624 ( 0.000 5.579 0.925) 5.655 5.652 ( 0.000 3.007 -0.375) 3.030 5.692 ( 0.000 5.247 1.071) 5.355 5.851 ( 0.000 -4.308 0.809) 4.384 5.886 ( 0.000 -0.474 0.153) 0.498 5.953 ( 0.000 6.963 -3.663) 7.868 6.036 ( 0.000 3.584 -1.861) 4.039 6.495 ( 0.000 3.205 0.634) 3.267 6.580 ( 0.000 0.989 -1.334) 1.660 6.649 ( 0.000 3.778 -4.079) 5.560 6.803 ( 0.000 -3.118 -5.513) 6.334 7.083 ( 0.000 -0.010 -0.563) 0.563 7.104 ( 0.000 2.050 0.188) 2.059 7.149 ( 0.000 0.858 3.933) 4.025 7.192 ( 0.000 4.227 3.360) 5.400 7.278 ( 0.000 -0.828 -0.426) 0.931 7.367 ( 0.000 -4.521 3.794) 5.902 7.532 ( 0.000 -5.086 9.189) 10.502 7.619 ( 0.000 4.389 -1.505) 4.640 7.891 ( 0.000 -5.106 0.081) 5.106 8.002 ( 0.000 -2.824 1.834) 3.368 8.020 ( 0.000 -1.179 -12.581) 12.636 8.113 ( 0.000 -1.134 -0.970) 1.493 8.264 ( 0.000 0.857 -3.841) 3.935 8.368 ( 0.000 1.075 1.640) 1.960 8.582 ( 0.000 6.373 3.869) 7.456 8.742 ( 0.000 2.583 -3.355) 4.234 8.881 ( 0.000 2.363 1.832) 2.990 8.934 ( 0.000 1.110 1.715) 2.043 9.054 ( 0.000 -2.051 0.299) 2.073 9.209 ( 0.000 -4.238 -3.126) 5.266 9.508 ( 0.000 2.815 1.414) 3.150 9.653 ( 0.000 -0.754 6.086) 6.133 9.730 ( 0.000 -1.276 -2.963) 3.226 9.986 ( 0.000 -4.059 -2.931) 5.006 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -0.081 9.718 1.357) 9.813 2.001 ( -1.202 8.455 0.383) 8.548 2.022 ( 4.813 14.508 0.349) 15.290 2.087 ( 6.282 10.758 3.570) 12.959 2.260 ( -0.500 1.654 -4.368) 4.698 2.402 ( 5.846 4.061 -4.603) 8.476 2.544 ( -2.589 8.295 0.192) 8.692 2.578 ( -3.151 5.521 -0.885) 6.418 2.701 ( -2.183 4.680 -0.199) 5.168 2.749 ( 0.992 -1.676 -2.810) 3.419 2.783 ( -3.870 3.523 0.122) 5.234 2.930 ( 1.839 3.862 -0.368) 4.293 3.022 ( 1.584 1.082 4.822) 5.189 3.138 ( 1.788 -2.639 4.529) 5.538 3.298 ( -0.536 3.718 -0.410) 3.778 3.432 ( 2.573 -4.641 -0.966) 5.394 3.548 ( -0.923 4.129 -0.170) 4.234 3.618 ( 1.370 4.991 -4.485) 6.849 3.694 ( 3.966 15.095 0.985) 15.639 3.839 ( -4.439 -4.121 1.261) 6.187 3.970 ( 2.366 7.684 -1.909) 8.264 4.034 ( -3.539 6.332 -0.979) 7.320 4.122 ( -4.824 9.766 2.947) 11.284 4.137 ( -1.211 14.341 3.113) 14.725 5.586 ( 0.217 7.622 3.221) 8.278 5.615 ( -0.561 6.026 0.255) 6.057 5.653 ( 0.194 3.653 0.221) 3.665 5.695 ( 0.180 6.016 2.449) 6.498 5.873 ( -1.675 0.913 -0.026) 1.908 5.883 ( -3.597 5.168 -0.986) 6.373 5.903 ( 4.200 -2.926 -0.535) 5.147 6.082 ( 1.966 3.003 -3.196) 4.806 6.500 ( 0.759 2.680 0.987) 2.955 6.570 ( -0.685 1.604 -0.420) 1.794 6.676 ( 2.389 2.571 -4.056) 5.364 6.788 ( -1.451 -2.289 -5.215) 5.877 7.055 ( -1.502 -0.490 2.631) 3.069 7.100 ( -0.340 1.093 1.977) 2.284 7.169 ( -3.619 1.151 2.713) 4.667 7.217 ( 4.142 0.383 0.566) 4.198 7.249 ( -0.407 -2.883 1.639) 3.341 7.387 ( 3.235 -0.214 2.193) 3.914 7.519 ( -0.936 -3.645 4.667) 5.995 7.652 ( 0.434 2.345 -2.328) 3.332 7.830 ( -3.139 -3.968 -3.753) 6.300 7.983 ( -1.743 -1.027 -8.857) 9.085 8.075 ( 5.356 -3.240 3.027) 6.953 8.197 ( 6.117 0.221 -0.382) 6.133 8.255 ( 0.112 2.280 -3.005) 3.773 8.350 ( -1.860 0.758 2.347) 3.089 8.521 ( -5.712 5.232 3.654) 8.565 8.655 ( -7.702 3.021 -0.436) 8.285 8.887 ( 2.680 1.178 -1.028) 3.103 8.996 ( 0.142 -0.704 2.968) 3.054 9.074 ( 4.828 0.760 -2.839) 5.653 9.240 ( 2.055 -3.179 -2.474) 4.522 9.515 ( 0.896 2.235 2.034) 3.152 9.635 ( -1.746 -0.858 5.725) 6.047 9.738 ( 1.022 -1.808 -2.536) 3.279 9.954 ( -3.284 -4.132 -2.809) 5.980 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.736 9.152 1.490) 9.302 1.976 ( -1.206 8.341 1.292) 8.526 2.125 ( 5.214 9.852 -2.372) 11.396 2.207 ( -2.061 5.495 -2.219) 6.274 2.264 ( 8.671 12.261 2.378) 15.204 2.438 ( -7.288 11.598 1.539) 13.784 2.498 ( 2.413 5.192 -3.404) 6.661 2.539 ( -2.379 4.795 -2.725) 6.007 2.675 ( 0.496 3.804 -1.258) 4.037 2.708 ( -2.844 4.315 0.759) 5.224 2.814 ( 5.895 -0.951 -5.811) 8.332 2.925 ( -3.765 0.578 -2.935) 4.809 3.062 ( 3.170 -0.100 6.440) 7.179 3.128 ( -2.990 -1.221 6.427) 7.193 3.324 ( 4.213 -0.144 -0.701) 4.274 3.426 ( -4.951 0.280 1.813) 5.280 3.615 ( 8.886 -0.493 1.043) 8.961 3.661 ( 2.945 0.827 -4.427) 5.381 3.737 ( -2.831 0.188 -1.890) 3.409 3.771 ( -2.196 4.466 -1.267) 5.135 3.934 ( -3.199 9.874 2.566) 10.692 3.976 ( -3.483 14.771 1.265) 15.228 4.069 ( 1.106 12.201 1.471) 12.339 4.108 ( -1.955 13.723 1.730) 13.969 5.595 ( 0.630 7.140 0.887) 7.222 5.606 ( -0.492 6.852 0.084) 6.870 5.665 ( 1.058 5.148 1.042) 5.358 5.688 ( -1.060 6.244 1.745) 6.569 5.827 ( -0.757 4.151 0.845) 4.303 5.843 ( -1.749 2.611 1.606) 3.529 6.001 ( 5.102 -1.542 -2.243) 5.783 6.078 ( -2.444 0.857 -3.362) 4.244 6.529 ( 1.979 2.177 1.511) 3.308 6.558 ( -0.890 2.057 1.034) 2.468 6.722 ( 2.037 0.955 -3.753) 4.376 6.756 ( -1.734 -0.951 -3.981) 4.446 7.034 ( -0.265 -1.938 4.089) 4.533 7.067 ( -3.764 -3.087 3.842) 6.202 7.131 ( 2.152 -0.269 1.885) 2.873 7.187 ( -3.025 0.234 3.150) 4.374 7.380 ( 8.840 -2.648 -4.667) 10.341 7.460 ( 3.399 0.727 2.328) 4.184 7.498 ( -1.515 -1.367 0.631) 2.136 7.562 ( -8.084 -1.884 -3.553) 9.029 7.853 ( 3.980 -0.227 -6.990) 8.047 7.930 ( -3.661 -0.600 -8.852) 9.598 8.198 ( 6.348 -1.801 7.567) 10.040 8.262 ( 3.426 3.078 0.131) 4.608 8.288 ( -2.747 4.085 2.116) 5.359 8.356 ( 5.928 -1.884 0.431) 6.236 8.388 ( -6.970 4.330 3.206) 8.809 8.501 ( -7.914 2.640 -0.244) 8.346 8.941 ( 2.408 0.590 -0.870) 2.627 8.975 ( -1.404 -0.380 0.189) 1.467 9.180 ( 5.051 1.038 -2.713) 5.826 9.248 ( -1.687 -0.781 -2.817) 3.376 9.545 ( 2.193 0.747 3.649) 4.322 9.592 ( -2.530 -0.557 4.969) 5.603 9.782 ( 3.764 -3.245 -2.242) 5.452 9.871 ( -5.008 -4.092 -2.487) 6.929 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 0.000 6.236 2.074) 6.572 2.117 ( 0.000 3.437 2.091) 4.023 2.224 ( 0.000 -1.236 -0.506) 1.336 2.253 ( 0.000 11.103 0.732) 11.128 2.256 ( 0.000 7.880 -1.447) 8.012 2.427 ( 0.000 3.722 -2.472) 4.468 2.630 ( 0.000 -3.756 -0.465) 3.785 2.648 ( 0.000 2.917 -1.305) 3.195 2.774 ( 0.000 4.876 0.713) 4.928 2.821 ( 0.000 4.075 -2.560) 4.812 2.868 ( 0.000 1.833 3.325) 3.796 2.958 ( 0.000 -0.445 0.003) 0.445 3.044 ( 0.000 -4.342 2.995) 5.275 3.063 ( 0.000 4.269 1.332) 4.473 3.295 ( 0.000 -3.472 6.117) 7.034 3.350 ( 0.000 -2.525 -6.306) 6.793 3.498 ( 0.000 -5.385 -4.898) 7.280 3.562 ( 0.000 -3.434 2.338) 4.154 3.969 ( 0.000 8.974 4.253) 9.931 4.026 ( 0.000 11.090 -7.361) 13.310 4.046 ( 0.000 4.985 -5.625) 7.516 4.182 ( 0.000 3.523 -1.797) 3.955 4.368 ( 0.000 12.990 7.379) 14.940 4.472 ( 0.000 13.742 2.831) 14.030 5.680 ( 0.000 1.631 -0.591) 1.734 5.707 ( 0.000 2.296 -1.626) 2.814 5.729 ( 0.000 4.151 0.875) 4.242 5.793 ( 0.000 3.986 1.860) 4.398 5.837 ( 0.000 2.617 4.405) 5.123 5.859 ( 0.000 -1.396 -0.943) 1.685 6.069 ( 0.000 4.173 -4.063) 5.824 6.096 ( 0.000 2.035 0.091) 2.037 6.567 ( 0.000 3.753 -1.132) 3.920 6.609 ( 0.000 2.072 0.530) 2.139 6.717 ( 0.000 2.436 -4.025) 4.704 6.750 ( 0.000 -2.131 -4.481) 4.962 7.096 ( 0.000 1.242 -0.799) 1.477 7.114 ( 0.000 -0.362 0.340) 0.497 7.167 ( 0.000 0.107 5.755) 5.756 7.222 ( 0.000 -1.520 1.464) 2.110 7.281 ( 0.000 -2.969 3.968) 4.956 7.349 ( 0.000 6.800 1.247) 6.914 7.432 ( 0.000 -4.330 6.495) 7.806 7.696 ( 0.000 2.889 -2.664) 3.930 7.785 ( 0.000 -4.684 -0.891) 4.768 7.941 ( 0.000 -2.849 -0.611) 2.914 7.965 ( 0.000 -3.779 -9.305) 10.043 8.050 ( 0.000 -4.506 -3.388) 5.638 8.291 ( 0.000 2.033 1.211) 2.366 8.390 ( 0.000 0.568 2.877) 2.933 8.703 ( 0.000 5.093 1.288) 5.253 8.779 ( 0.000 1.436 -2.816) 3.162 8.924 ( 0.000 1.765 1.323) 2.206 8.941 ( 0.000 -0.027 1.783) 1.783 9.026 ( 0.000 -0.955 1.355) 1.658 9.117 ( 0.000 -4.501 -1.642) 4.791 9.581 ( 0.000 4.092 0.346) 4.107 9.669 ( 0.000 2.025 3.799) 4.305 9.713 ( 0.000 -0.659 -1.694) 1.818 9.902 ( 0.000 -4.322 -2.381) 4.934 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -0.286 6.342 2.516) 6.829 2.114 ( -0.359 3.834 1.260) 4.052 2.234 ( 2.118 1.143 0.166) 2.413 2.260 ( 1.054 7.208 -2.190) 7.607 2.344 ( 6.615 8.504 0.220) 10.776 2.477 ( 5.037 3.101 -2.849) 6.565 2.635 ( 0.592 -1.845 -0.349) 1.969 2.654 ( 0.841 2.693 -1.387) 3.144 2.738 ( -2.598 6.284 0.435) 6.813 2.813 ( -1.285 4.011 -0.290) 4.222 2.865 ( -0.456 3.070 1.119) 3.299 2.972 ( -1.243 0.245 -0.532) 1.375 3.031 ( 1.639 -2.062 4.400) 5.129 3.071 ( -0.607 0.025 3.756) 3.805 3.283 ( -3.501 -6.399 -4.654) 8.652 3.357 ( 4.880 -2.180 1.715) 5.613 3.492 ( -4.325 -5.004 0.867) 6.671 3.558 ( 3.064 -2.541 -2.292) 4.593 3.868 ( -6.610 4.584 -1.059) 8.113 3.957 ( -6.785 3.822 -6.630) 10.227 4.156 ( 7.120 9.157 -0.941) 11.637 4.206 ( 2.296 10.550 -0.553) 10.811 4.357 ( -1.064 13.155 6.125) 14.550 4.455 ( -1.824 13.420 2.499) 13.772 5.686 ( 1.172 3.238 -0.967) 3.577 5.709 ( 0.367 3.261 -1.227) 3.504 5.751 ( 1.311 4.788 1.546) 5.200 5.815 ( 1.290 5.271 3.680) 6.557 5.860 ( 3.074 -0.801 0.583) 3.230 5.869 ( 0.918 -0.435 -0.354) 1.076 5.994 ( -5.090 4.507 -1.581) 6.980 6.115 ( -0.569 0.188 -1.800) 1.897 6.563 ( 0.043 3.382 -0.215) 3.389 6.609 ( -0.050 2.401 0.867) 2.553 6.715 ( 0.270 0.220 -4.098) 4.113 6.754 ( -0.078 -0.656 -3.523) 3.585 7.059 ( -2.251 0.966 1.258) 2.754 7.118 ( -2.494 0.406 3.482) 4.302 7.141 ( -4.447 -1.948 2.746) 5.578 7.196 ( 0.881 -2.452 -0.812) 2.729 7.264 ( 1.261 2.276 1.475) 2.991 7.406 ( 3.570 1.485 2.734) 4.736 7.446 ( 1.668 -2.407 2.708) 3.989 7.657 ( -6.268 -2.750 -3.104) 7.516 7.794 ( 3.329 1.517 -3.599) 5.132 7.943 ( -0.613 -2.456 -6.988) 7.433 7.991 ( 4.072 -4.405 0.587) 6.028 8.141 ( 6.782 -5.315 -0.257) 8.621 8.295 ( 0.700 2.392 1.642) 2.985 8.379 ( -0.701 1.368 2.985) 3.358 8.621 ( -6.982 4.263 0.524) 8.197 8.705 ( -7.115 1.770 -1.073) 7.410 8.923 ( 2.822 2.356 0.054) 3.677 8.992 ( 0.224 0.480 2.038) 2.105 9.075 ( 5.594 -0.791 -0.857) 5.715 9.162 ( 3.336 -4.363 -0.960) 5.576 9.578 ( -0.195 3.675 0.663) 3.740 9.648 ( -1.937 1.861 3.275) 4.235 9.712 ( 0.113 -0.919 -1.342) 1.630 9.870 ( -3.147 -4.177 -2.248) 5.693 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -0.024 5.591 2.120) 5.980 2.105 ( -0.433 4.955 1.559) 5.213 2.272 ( 1.202 0.930 -1.969) 2.488 2.278 ( 0.516 4.169 -2.310) 4.794 2.486 ( 7.376 9.013 0.338) 11.651 2.558 ( 1.117 3.409 -3.205) 4.810 2.640 ( 0.514 5.337 -0.908) 5.438 2.686 ( -2.723 9.618 1.064) 10.052 2.714 ( 4.304 0.315 1.047) 4.441 2.780 ( -2.788 2.630 3.016) 4.877 2.848 ( 1.195 4.667 -4.258) 6.429 2.921 ( -3.884 -0.341 -0.925) 4.007 3.041 ( 0.626 -1.417 5.565) 5.776 3.075 ( -1.259 -3.471 3.214) 4.895 3.246 ( 2.257 -6.542 -0.937) 6.984 3.352 ( -6.976 -8.682 2.159) 11.345 3.540 ( 10.911 -0.664 -1.588) 11.046 3.644 ( 5.535 -1.295 -2.857) 6.362 3.736 ( -7.741 0.683 -4.052) 8.764 3.786 ( -9.931 -0.326 -2.967) 10.370 4.255 ( 2.812 14.378 1.241) 14.703 4.274 ( 3.313 13.160 0.586) 13.584 4.338 ( 0.418 12.575 3.456) 13.048 4.401 ( -3.772 12.502 1.800) 13.182 5.720 ( 1.379 4.890 -0.797) 5.143 5.725 ( 1.162 5.628 -0.548) 5.773 5.770 ( 1.516 4.924 0.979) 5.244 5.817 ( -1.577 6.058 2.140) 6.615 5.879 ( 0.464 1.006 -0.114) 1.113 5.905 ( -2.730 2.856 0.330) 3.964 5.961 ( 5.624 -2.187 -0.745) 6.080 6.064 ( -4.491 -1.950 -1.578) 5.144 6.580 ( 1.630 2.636 0.985) 3.252 6.605 ( -0.584 2.528 1.372) 2.935 6.724 ( 0.586 -1.346 -2.541) 2.935 6.742 ( -1.130 -0.406 -2.267) 2.566 7.019 ( -1.601 0.201 1.738) 2.371 7.027 ( -2.922 0.076 2.360) 3.756 7.127 ( 1.220 -0.219 1.819) 2.201 7.173 ( -3.050 -2.063 1.543) 3.992 7.348 ( 6.796 -0.233 -4.915) 8.390 7.458 ( -0.627 -1.579 0.218) 1.713 7.480 ( 1.674 0.142 0.682) 1.813 7.522 ( -5.534 -2.053 -3.143) 6.687 7.861 ( 3.081 1.367 -4.544) 5.657 7.912 ( -2.299 -0.531 -6.027) 6.472 8.107 ( 6.725 -5.959 6.233) 10.936 8.206 ( -2.121 -7.262 5.031) 9.086 8.339 ( 4.843 3.966 1.589) 6.459 8.411 ( 4.137 3.400 -1.130) 5.473 8.476 ( -6.553 3.830 1.108) 7.670 8.557 ( -7.882 2.178 -1.162) 8.260 8.975 ( 2.012 2.596 0.143) 3.287 8.994 ( -0.139 1.989 0.641) 2.095 9.171 ( 3.807 -1.862 -1.341) 4.445 9.205 ( 0.471 -3.352 -1.288) 3.621 9.581 ( 0.716 2.640 1.574) 3.156 9.608 ( -1.981 1.871 2.565) 3.742 9.730 ( 2.138 -2.084 -1.383) 3.291 9.795 ( -4.220 -3.508 -1.848) 5.790 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 1.651 1.220) 2.052 2.191 ( 0.000 -1.580 0.986) 1.862 2.227 ( 0.000 5.282 1.750) 5.564 2.312 ( 0.000 -2.142 -1.478) 2.602 2.418 ( 0.000 5.072 -0.949) 5.160 2.467 ( 0.000 -0.167 -1.383) 1.393 2.622 ( 0.000 2.890 2.289) 3.686 2.672 ( 0.000 -0.781 1.303) 1.519 2.851 ( 0.000 2.476 -0.027) 2.476 2.870 ( 0.000 0.681 -0.718) 0.989 2.900 ( 0.000 1.425 2.781) 3.125 2.936 ( 0.000 -1.702 1.804) 2.480 2.999 ( 0.000 0.997 -0.320) 1.047 3.068 ( 0.000 -4.230 -2.241) 4.787 3.246 ( 0.000 1.406 -0.774) 1.606 3.298 ( 0.000 -2.778 -4.918) 5.648 3.461 ( 0.000 0.684 2.700) 2.785 3.498 ( 0.000 -2.679 3.868) 4.705 4.120 ( 0.000 3.968 -1.887) 4.393 4.122 ( 0.000 2.293 -5.823) 6.258 4.148 ( 0.000 3.898 -4.592) 6.023 4.209 ( 0.000 -0.960 -1.173) 1.515 4.605 ( 0.000 8.068 5.439) 9.730 4.653 ( 0.000 3.550 3.351) 4.882 5.714 ( 0.000 2.023 -2.629) 3.317 5.738 ( 0.000 0.454 -2.693) 2.731 5.769 ( 0.000 0.601 -0.837) 1.030 5.789 ( 0.000 -2.071 -1.685) 2.670 5.894 ( 0.000 2.548 3.960) 4.709 5.900 ( 0.000 2.087 5.437) 5.824 6.116 ( 0.000 0.706 -1.929) 2.054 6.118 ( 0.000 0.329 0.307) 0.450 6.642 ( 0.000 3.537 -1.931) 4.030 6.669 ( 0.000 3.444 -0.977) 3.580 6.707 ( 0.000 -2.318 -2.704) 3.562 6.730 ( 0.000 -1.384 -3.317) 3.594 7.107 ( 0.000 0.081 0.720) 0.725 7.121 ( 0.000 -0.026 0.376) 0.377 7.142 ( 0.000 -0.196 4.614) 4.618 7.179 ( 0.000 -2.390 2.769) 3.658 7.285 ( 0.000 2.519 3.516) 4.325 7.347 ( 0.000 -3.422 3.709) 5.047 7.501 ( 0.000 7.169 0.310) 7.175 7.639 ( 0.000 -6.292 -1.206) 6.407 7.803 ( 0.000 4.155 -0.484) 4.183 7.885 ( 0.000 -3.905 -2.426) 4.597 7.907 ( 0.000 0.003 -5.494) 5.494 7.954 ( 0.000 -4.330 -7.409) 8.582 8.340 ( 0.000 2.533 3.596) 4.398 8.382 ( 0.000 -1.370 3.961) 4.191 8.780 ( 0.000 2.418 -0.723) 2.523 8.800 ( 0.000 0.319 -2.245) 2.268 8.943 ( 0.000 0.318 0.914) 0.967 8.947 ( 0.000 0.347 0.942) 1.004 9.015 ( 0.000 0.060 2.005) 2.006 9.041 ( 0.000 -2.694 0.367) 2.719 9.657 ( 0.000 2.927 -0.072) 2.928 9.696 ( 0.000 -1.164 -0.584) 1.302 9.726 ( 0.000 3.638 0.882) 3.743 9.812 ( 0.000 -4.508 -1.294) 4.690 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.918 2.398 0.906) 2.723 2.215 ( 1.690 -1.161 0.514) 2.114 2.221 ( -0.349 4.581 1.858) 4.956 2.306 ( -0.772 -2.457 -0.775) 2.689 2.480 ( 6.454 4.178 -0.713) 7.721 2.514 ( 5.150 0.420 -1.674) 5.432 2.642 ( 2.037 2.774 2.201) 4.084 2.685 ( 1.183 -0.385 0.987) 1.588 2.847 ( -0.288 3.290 0.577) 3.353 2.872 ( -0.025 1.690 0.613) 1.799 2.892 ( -0.711 0.820 1.870) 2.162 2.959 ( 2.111 -3.677 1.604) 4.533 2.990 ( -0.560 2.912 -0.740) 3.056 3.082 ( 0.427 -4.308 -2.391) 4.945 3.186 ( -5.631 1.706 -0.293) 5.891 3.271 ( -3.635 -4.995 -2.922) 6.833 3.472 ( 1.500 1.310 2.434) 3.145 3.510 ( 2.789 -2.253 1.349) 3.831 3.946 ( -9.634 2.795 -3.648) 10.674 3.979 ( -10.299 -0.504 -5.245) 11.569 4.304 ( 8.672 4.792 -1.086) 9.968 4.333 ( 7.240 2.147 -1.907) 7.789 4.589 ( -1.709 7.713 4.752) 9.220 4.633 ( -2.146 3.570 2.957) 5.108 5.745 ( 3.061 2.469 -2.408) 4.612 5.756 ( 1.979 1.380 -2.034) 3.156 5.797 ( 2.730 0.380 -0.865) 2.889 5.823 ( 3.238 -2.163 -1.579) 4.201 5.892 ( -0.306 2.619 3.225) 4.166 5.906 ( 0.379 1.786 4.637) 4.983 6.060 ( -4.549 2.149 -0.714) 5.081 6.097 ( -3.067 -1.622 -0.386) 3.491 6.630 ( -0.774 3.142 -0.973) 3.379 6.671 ( -0.527 3.215 -0.693) 3.331 6.688 ( -0.565 -1.876 -2.053) 2.838 6.736 ( -0.129 -2.129 -2.514) 3.297 7.086 ( -2.219 1.479 1.080) 2.877 7.109 ( -2.036 -0.368 2.115) 2.959 7.128 ( -0.862 -0.256 1.939) 2.137 7.147 ( -2.362 -2.078 1.704) 3.578 7.308 ( 2.177 2.521 0.966) 3.468 7.366 ( 2.271 -3.056 1.141) 3.974 7.492 ( -0.419 4.090 0.342) 4.126 7.578 ( -4.994 -4.296 -2.390) 7.007 7.857 ( 3.376 3.137 -2.389) 5.191 7.899 ( 2.737 -1.957 -0.859) 3.472 7.932 ( 1.632 0.332 -4.317) 4.628 8.018 ( 4.893 -6.185 -1.245) 7.985 8.348 ( 1.235 2.514 3.529) 4.505 8.385 ( 0.824 -0.878 3.631) 3.825 8.689 ( -7.073 2.509 -1.033) 7.575 8.720 ( -6.931 -0.406 -1.415) 7.086 8.979 ( 3.801 3.011 0.302) 4.858 9.010 ( 2.465 0.780 0.935) 2.749 9.050 ( 3.985 -1.168 0.426) 4.174 9.077 ( 2.948 -3.607 0.525) 4.687 9.649 ( -0.696 2.852 0.041) 2.936 9.687 ( -0.871 -0.571 -0.539) 1.173 9.706 ( -1.795 2.673 0.773) 3.311 9.784 ( -2.661 -4.251 -1.215) 5.160 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.670 3.653 1.054) 3.860 2.203 ( -0.954 4.520 1.700) 4.922 2.252 ( 1.678 -2.455 -0.296) 2.988 2.283 ( -1.522 -2.798 -0.348) 3.205 2.617 ( 5.400 4.022 -0.700) 6.769 2.635 ( 5.043 3.363 -0.768) 6.110 2.690 ( 2.554 0.115 0.669) 2.643 2.714 ( 1.883 -0.803 1.037) 2.295 2.841 ( 0.087 4.062 2.074) 4.562 2.864 ( -1.478 6.873 0.907) 7.089 2.895 ( 2.388 -0.547 0.654) 2.535 2.974 ( -2.587 3.490 -1.641) 4.644 2.993 ( 0.745 -3.357 0.880) 3.550 3.039 ( -4.346 2.306 1.406) 5.116 3.100 ( -0.435 -6.750 -1.004) 6.838 3.165 ( -5.978 -8.290 0.451) 10.231 3.566 ( 8.380 2.102 -1.135) 8.713 3.610 ( 7.283 -2.055 -1.686) 7.753 3.756 ( -10.403 1.189 -3.949) 11.190 3.777 ( -10.120 -0.743 -3.334) 10.681 4.449 ( 5.924 5.178 0.414) 7.879 4.460 ( 6.245 4.274 0.085) 7.568 4.540 ( -3.398 6.414 2.898) 7.816 4.570 ( -4.452 3.634 1.864) 6.041 5.802 ( 2.945 3.419 -0.926) 4.606 5.826 ( 3.448 3.441 -1.232) 5.025 5.854 ( 2.672 2.676 -0.006) 3.782 5.874 ( 0.702 -0.569 -0.535) 1.051 5.902 ( -0.559 0.752 2.139) 2.335 5.911 ( 3.916 -1.448 0.455) 4.200 5.957 ( -5.595 2.292 -0.518) 6.068 6.013 ( -5.267 -2.791 -0.031) 5.961 6.631 ( 1.110 2.455 0.335) 2.715 6.657 ( -0.864 2.305 0.185) 2.468 6.685 ( 0.320 -2.002 -0.349) 2.058 6.713 ( -2.078 -2.295 -0.855) 3.212 7.047 ( -0.806 2.647 0.599) 2.831 7.064 ( -2.098 2.626 0.672) 3.428 7.110 ( -0.675 -2.154 0.925) 2.440 7.113 ( -1.081 -2.949 0.737) 3.226 7.371 ( 4.412 2.323 -3.408) 6.039 7.424 ( 2.881 -2.205 -1.101) 3.792 7.468 ( -3.471 -0.374 -3.673) 5.067 7.487 ( -3.062 -1.468 -1.715) 3.804 7.905 ( 2.547 2.898 -1.177) 4.033 7.944 ( -0.607 4.104 0.286) 4.159 7.989 ( 4.858 -5.238 3.258) 7.852 8.059 ( -1.386 -6.805 3.206) 7.649 8.410 ( 5.489 2.784 1.619) 6.364 8.442 ( 5.449 -0.225 0.794) 5.511 8.544 ( -7.753 2.655 -0.396) 8.205 8.576 ( -7.706 -0.399 -1.058) 7.789 9.040 ( 2.052 3.715 0.317) 4.256 9.047 ( 1.229 3.104 0.289) 3.351 9.116 ( 2.246 -3.176 -0.373) 3.908 9.125 ( 1.427 -4.179 -0.164) 4.419 9.640 ( 0.047 2.780 0.311) 2.797 9.658 ( -1.777 2.909 0.406) 3.433 9.690 ( 0.556 -2.006 -0.449) 2.130 9.725 ( -2.957 -3.382 -0.934) 4.589 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.000 0.000 27.010) 27.010 1.079 ( 0.000 0.000 25.763) 25.763 1.536 ( 0.000 0.000 19.146) 19.146 1.549 ( 0.000 0.000 -21.889) 21.889 1.616 ( 0.000 0.000 -9.467) 9.467 1.844 ( 0.000 0.000 10.961) 10.961 2.024 ( 0.000 0.000 -6.194) 6.194 2.050 ( 0.000 0.000 -9.135) 9.135 2.162 ( 0.000 0.000 6.893) 6.893 2.292 ( 0.000 0.000 -5.864) 5.864 2.387 ( 0.000 0.000 -3.678) 3.678 2.412 ( 0.000 0.000 0.725) 0.725 2.426 ( 0.000 0.000 -0.295) 0.295 2.469 ( 0.000 0.000 -18.499) 18.499 2.733 ( 0.000 0.000 2.828) 2.828 2.781 ( 0.000 0.000 -2.027) 2.027 3.083 ( 0.000 0.000 8.996) 8.996 3.247 ( 0.000 0.000 -8.167) 8.167 3.599 ( 0.000 0.000 1.463) 1.463 3.647 ( 0.000 0.000 -3.800) 3.800 4.004 ( 0.000 0.000 4.977) 4.977 4.090 ( 0.000 0.000 -3.268) 3.268 4.296 ( 0.000 0.000 15.029) 15.029 4.548 ( 0.000 0.000 -10.216) 10.216 5.080 ( 0.000 0.000 5.607) 5.607 5.166 ( 0.000 0.000 4.739) 4.739 5.188 ( 0.000 0.000 -5.101) 5.101 5.268 ( 0.000 0.000 -5.379) 5.379 5.498 ( 0.000 0.000 2.176) 2.176 5.531 ( 0.000 0.000 -1.196) 1.196 6.218 ( 0.000 0.000 6.357) 6.357 6.372 ( 0.000 0.000 -8.040) 8.040 6.658 ( 0.000 0.000 7.050) 7.050 6.724 ( 0.000 0.000 0.581) 0.581 6.900 ( 0.000 0.000 5.620) 5.620 6.997 ( 0.000 0.000 -2.529) 2.529 7.030 ( 0.000 0.000 -0.567) 0.567 7.119 ( 0.000 0.000 -9.699) 9.699 7.138 ( 0.000 0.000 0.956) 0.956 7.154 ( 0.000 0.000 -0.585) 0.585 7.350 ( 0.000 0.000 2.390) 2.390 7.399 ( 0.000 0.000 -2.449) 2.449 7.536 ( 0.000 0.000 -1.785) 1.785 7.549 ( 0.000 0.000 -2.266) 2.266 7.642 ( 0.000 0.000 0.693) 0.693 7.654 ( 0.000 0.000 -0.513) 0.513 7.950 ( 0.000 0.000 0.586) 0.586 7.967 ( 0.000 0.000 -1.022) 1.022 8.062 ( 0.000 0.000 7.023) 7.023 8.183 ( 0.000 0.000 -4.609) 4.609 8.297 ( 0.000 0.000 4.060) 4.060 8.343 ( 0.000 0.000 -1.892) 1.892 8.630 ( 0.000 0.000 1.149) 1.149 8.648 ( 0.000 0.000 -0.030) 0.030 9.400 ( 0.000 0.000 0.677) 0.677 9.402 ( 0.000 0.000 0.347) 0.347 9.721 ( 0.000 0.000 5.003) 5.003 9.838 ( 0.000 0.000 -6.214) 6.214 10.029 ( 0.000 0.000 5.984) 5.984 10.137 ( 0.000 0.000 -4.889) 4.889 ======================= Grid point 131 (44/63) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 2.465 0.000 23.638) 23.766 1.179 ( 9.839 0.000 22.859) 24.887 1.513 ( -3.921 0.000 -17.632) 18.062 1.607 ( 5.858 0.000 -20.292) 21.121 1.672 ( 0.801 0.000 8.031) 8.071 1.790 ( -11.880 0.000 -2.031) 12.052 1.979 ( 16.904 0.000 21.174) 27.094 2.000 ( -13.145 0.000 8.292) 15.542 2.163 ( -9.826 0.000 -7.817) 12.556 2.369 ( 14.815 0.000 -6.292) 16.096 2.430 ( 8.998 0.000 -1.187) 9.076 2.510 ( 6.444 0.000 0.916) 6.509 2.521 ( 6.590 0.000 -0.082) 6.591 2.532 ( 5.107 0.000 -17.303) 18.041 2.721 ( -1.251 0.000 2.880) 3.140 2.769 ( -1.311 0.000 -1.993) 2.385 2.990 ( -5.766 0.000 4.709) 7.445 3.145 ( -8.681 0.000 -10.040) 13.273 3.536 ( -10.481 0.000 9.230) 13.966 3.695 ( -1.365 0.000 -7.128) 7.257 3.964 ( 0.449 0.000 6.545) 6.561 4.084 ( 2.955 0.000 -5.125) 5.916 4.307 ( -0.471 0.000 12.380) 12.389 4.520 ( -3.241 0.000 -8.824) 9.400 5.088 ( 0.879 0.000 5.512) 5.582 5.158 ( -0.835 0.000 4.500) 4.577 5.198 ( 0.906 0.000 -4.785) 4.870 5.262 ( -0.669 0.000 -5.322) 5.364 5.536 ( 3.618 0.000 2.589) 4.449 5.579 ( 4.845 0.000 -1.772) 5.159 6.107 ( -9.976 0.000 9.145) 13.533 6.273 ( -10.633 0.000 -5.969) 12.194 6.595 ( -3.831 0.000 6.799) 7.804 6.672 ( -2.373 0.000 0.881) 2.531 6.747 ( -5.315 0.000 -0.464) 5.335 6.813 ( -8.427 0.000 -7.013) 10.964 7.147 ( 0.862 0.000 0.883) 1.234 7.162 ( 0.733 0.000 -0.588) 0.940 7.300 ( 14.781 0.000 2.175) 14.940 7.342 ( -0.709 0.000 2.088) 2.205 7.348 ( 12.301 0.000 -1.485) 12.390 7.383 ( -1.496 0.000 -2.023) 2.516 7.609 ( 6.673 0.000 -2.968) 7.303 7.611 ( 4.258 0.000 -2.084) 4.741 7.643 ( 0.140 0.000 0.571) 0.588 7.653 ( -0.089 0.000 -0.430) 0.439 7.955 ( 0.411 0.000 0.403) 0.575 7.968 ( 0.072 0.000 -0.874) 0.877 8.059 ( -0.286 0.000 3.996) 4.006 8.131 ( -4.941 0.000 -1.663) 5.214 8.235 ( -4.502 0.000 2.250) 5.033 8.295 ( -4.544 0.000 -3.772) 5.905 8.670 ( 4.450 0.000 2.542) 5.125 8.722 ( 4.805 0.000 -2.648) 5.486 9.358 ( -2.444 0.000 1.433) 2.834 9.391 ( -2.095 0.000 -1.883) 2.817 9.744 ( 2.399 0.000 6.517) 6.945 9.861 ( 1.411 0.000 -4.713) 4.920 10.050 ( 1.881 0.000 4.129) 4.537 10.138 ( -0.060 0.000 -4.274) 4.275 ======================= Grid point 132 (45/63) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 12.243 0.000 13.486) 18.214 1.423 ( 14.866 0.000 17.210) 22.742 1.447 ( -7.482 0.000 0.614) 7.507 1.563 ( -4.028 0.000 -11.493) 12.178 1.623 ( -6.022 0.000 -6.923) 9.176 1.719 ( -15.325 0.000 11.978) 19.451 1.760 ( 9.410 0.000 -16.373) 18.884 1.961 ( -10.946 0.000 -11.926) 16.188 2.326 ( 14.048 0.000 14.665) 20.308 2.505 ( -3.186 0.000 1.503) 3.523 2.609 ( 4.054 0.000 1.929) 4.489 2.626 ( 12.341 0.000 8.146) 14.786 2.634 ( 3.922 0.000 -0.509) 3.955 2.690 ( -1.255 0.000 2.267) 2.591 2.700 ( 9.540 0.000 -4.790) 10.676 2.729 ( -2.900 0.000 -1.587) 3.306 2.986 ( -4.938 0.000 -6.163) 7.897 3.073 ( 14.990 0.000 -13.309) 20.046 3.208 ( -19.149 0.000 13.709) 23.550 3.466 ( -19.207 0.000 -11.751) 22.517 4.087 ( 9.215 0.000 8.193) 12.330 4.224 ( 5.113 0.000 0.720) 5.163 4.251 ( -1.114 0.000 2.953) 3.157 4.414 ( -7.852 0.000 -7.208) 10.659 5.110 ( 1.358 0.000 5.239) 5.412 5.137 ( -1.300 0.000 4.838) 5.010 5.220 ( 1.277 0.000 -4.944) 5.106 5.244 ( -1.162 0.000 -5.165) 5.294 5.626 ( 5.437 0.000 3.812) 6.640 5.677 ( 2.790 0.000 -0.849) 2.916 5.945 ( -3.409 0.000 6.829) 7.633 6.044 ( -11.024 0.000 -1.813) 11.172 6.588 ( 2.219 0.000 1.153) 2.501 6.651 ( -2.226 0.000 -4.782) 5.275 6.664 ( -1.574 0.000 1.660) 2.287 6.699 ( -3.740 0.000 -4.092) 5.544 7.166 ( 0.931 0.000 0.520) 1.066 7.174 ( 0.240 0.000 -0.242) 0.341 7.333 ( 0.087 0.000 0.953) 0.957 7.351 ( -1.624 0.000 -0.802) 1.811 7.532 ( 7.518 0.000 3.237) 8.186 7.549 ( 10.347 0.000 3.076) 10.795 7.639 ( -1.429 0.000 1.226) 1.883 7.647 ( 0.220 0.000 0.239) 0.325 7.651 ( -0.190 0.000 -0.156) 0.246 7.696 ( -0.846 0.000 -3.488) 3.589 7.963 ( 0.396 0.000 -0.025) 0.397 7.968 ( -0.106 0.000 -0.498) 0.509 8.025 ( 0.021 0.000 5.616) 5.616 8.089 ( -2.262 0.000 0.723) 2.375 8.155 ( -1.232 0.000 -4.539) 4.703 8.206 ( -4.264 0.000 -6.706) 7.947 8.756 ( 3.558 0.000 0.567) 3.603 8.782 ( 1.015 0.000 -2.092) 2.325 9.329 ( -0.381 0.000 0.036) 0.382 9.346 ( -2.022 0.000 -1.802) 2.709 9.803 ( 3.440 0.000 5.544) 6.524 9.859 ( -1.834 0.000 0.552) 1.915 10.092 ( 2.300 0.000 0.280) 2.316 10.127 ( -1.212 0.000 -2.716) 2.974 ======================= Grid point 135 (46/63) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 3.335 23.408) 23.644 1.181 ( 0.000 9.698 23.141) 25.090 1.505 ( 0.000 -1.486 -20.329) 20.383 1.636 ( 0.000 5.472 -21.127) 21.824 1.866 ( 0.000 1.906 10.283) 10.458 1.890 ( 0.000 24.304 24.500) 34.510 2.070 ( 0.000 2.934 -7.396) 7.957 2.192 ( 0.000 11.681 1.825) 11.823 2.224 ( 0.000 6.604 5.377) 8.516 2.357 ( 0.000 4.667 -6.452) 7.963 2.421 ( 0.000 4.704 -2.679) 5.413 2.505 ( 0.000 8.396 0.818) 8.436 2.514 ( 0.000 9.007 -3.636) 9.713 2.569 ( 0.000 9.769 -17.606) 20.134 2.774 ( 0.000 3.871 2.094) 4.401 2.813 ( 0.000 2.714 -1.674) 3.189 3.080 ( 0.000 0.062 8.665) 8.665 3.246 ( 0.000 0.133 -8.604) 8.605 3.626 ( 0.000 2.546 0.473) 2.590 3.645 ( 0.000 -0.169 -1.895) 1.903 3.991 ( 0.000 -0.868 3.947) 4.042 4.057 ( 0.000 -2.968 -2.426) 3.833 4.260 ( 0.000 -3.531 13.919) 14.360 4.491 ( 0.000 -5.441 -9.398) 10.859 5.139 ( 0.000 5.528 5.516) 7.809 5.240 ( 0.000 6.727 5.963) 8.989 5.258 ( 0.000 5.500 -6.413) 8.449 5.361 ( 0.000 8.738 -6.192) 10.710 5.530 ( 0.000 3.188 1.389) 3.477 5.550 ( 0.000 1.906 -0.571) 1.990 6.192 ( 0.000 -3.145 7.395) 8.036 6.365 ( 0.000 -1.698 -9.322) 9.475 6.578 ( 0.000 -11.360 3.854) 11.996 6.610 ( 0.000 -6.130 2.096) 6.479 6.726 ( 0.000 -11.657 7.826) 14.040 6.851 ( 0.000 -2.634 -3.336) 4.251 6.991 ( 0.000 -1.509 1.378) 2.044 7.097 ( 0.000 -1.594 -8.204) 8.358 7.173 ( 0.000 0.448 0.966) 1.065 7.188 ( 0.000 -0.523 -0.483) 0.712 7.334 ( 0.000 1.753 2.943) 3.426 7.384 ( 0.000 0.653 -2.103) 2.202 7.639 ( 0.000 -0.514 1.767) 1.841 7.657 ( 0.000 0.992 0.609) 1.164 7.706 ( 0.000 10.657 -0.201) 10.659 7.743 ( 0.000 10.699 -3.066) 11.129 7.971 ( 0.000 0.296 0.210) 0.363 7.974 ( 0.000 2.169 -0.188) 2.177 8.214 ( 0.000 5.926 3.896) 7.092 8.268 ( 0.000 7.083 -2.744) 7.596 8.315 ( 0.000 5.309 -0.681) 5.352 8.354 ( 0.000 1.271 -2.789) 3.065 8.662 ( 0.000 3.760 0.290) 3.772 8.669 ( 0.000 2.467 0.031) 2.467 9.355 ( 0.000 -4.243 0.204) 4.248 9.355 ( 0.000 -4.265 0.382) 4.282 9.688 ( 0.000 -2.963 5.156) 5.947 9.805 ( 0.000 -2.944 -6.105) 6.777 10.001 ( 0.000 -2.608 6.246) 6.769 10.114 ( 0.000 -2.193 -5.067) 5.521 ======================= Grid point 136 (47/63) ======================= q-point: ( 0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 5.812 6.057 19.239) 20.990 1.288 ( 9.513 9.272 20.072) 24.070 1.483 ( -0.993 -0.000 -17.140) 17.169 1.675 ( 2.615 5.603 -17.285) 18.358 1.783 ( -4.830 7.549 6.378) 11.000 1.907 ( -7.623 8.213 -5.477) 12.473 2.073 ( -8.837 8.428 9.871) 15.703 2.133 ( 11.366 14.461 17.043) 25.075 2.261 ( -6.249 9.023 -4.420) 11.832 2.399 ( 8.043 1.873 0.136) 8.260 2.419 ( 7.581 0.940 -1.503) 7.786 2.544 ( 4.881 7.843 -8.097) 12.284 2.627 ( 7.178 8.257 0.812) 10.972 2.669 ( 5.637 9.466 -7.923) 13.571 2.764 ( 0.632 4.635 -0.579) 4.714 2.795 ( -1.767 2.238 -2.239) 3.626 3.017 ( -3.631 2.719 4.560) 6.432 3.162 ( -7.095 1.983 -9.431) 11.968 3.564 ( -10.003 2.895 7.619) 12.903 3.695 ( -0.591 -0.040 -5.699) 5.730 3.940 ( -0.799 -2.089 6.105) 6.502 4.051 ( 2.735 -3.090 -4.524) 6.123 4.267 ( -0.774 -3.902 11.301) 11.980 4.463 ( -3.239 -5.486 -8.229) 10.407 5.149 ( 1.019 5.639 5.373) 7.855 5.227 ( -1.088 6.369 4.833) 8.069 5.266 ( 0.680 5.584 -5.070) 7.573 5.341 ( -1.609 7.357 -5.253) 9.182 5.564 ( 3.141 2.852 1.927) 4.660 5.602 ( 5.039 2.397 -1.738) 5.844 6.079 ( -9.460 -2.777 9.041) 13.376 6.241 ( -11.182 -3.609 -5.686) 13.054 6.548 ( -0.657 -3.870 4.220) 5.764 6.617 ( 0.361 -4.523 -1.650) 4.828 6.675 ( -2.525 -5.019 3.380) 6.557 6.778 ( -5.637 -1.883 -6.565) 8.855 7.144 ( 9.975 -4.662 4.192) 11.782 7.178 ( 1.532 1.577 1.152) 2.483 7.211 ( 3.542 -0.000 -0.862) 3.645 7.258 ( 9.178 -4.543 -4.825) 11.321 7.364 ( 3.587 -0.144 2.826) 4.569 7.401 ( 1.669 0.278 -1.183) 2.065 7.630 ( -0.626 -1.073 2.625) 2.904 7.662 ( 0.302 1.645 -0.093) 1.675 7.707 ( 0.543 7.153 -1.127) 7.262 7.741 ( -0.065 8.853 -3.098) 9.380 7.940 ( -3.492 -1.861 1.540) 4.246 7.963 ( -1.338 0.900 -0.949) 1.871 8.180 ( -3.033 5.907 5.346) 8.524 8.241 ( -3.674 7.331 -1.496) 8.335 8.262 ( -2.890 5.290 -1.830) 6.299 8.300 ( -3.640 1.169 -4.616) 5.994 8.721 ( 5.754 4.882 1.393) 7.674 8.759 ( 6.033 3.662 -2.256) 7.409 9.308 ( -2.773 -4.615 1.411) 5.566 9.344 ( -2.291 -4.338 -2.195) 5.375 9.716 ( 2.814 -2.570 6.604) 7.625 9.835 ( 2.006 -2.400 -4.938) 5.845 10.012 ( 1.089 -3.520 4.868) 6.105 10.109 ( -0.583 -2.682 -4.588) 5.346 ======================= Grid point 137 (48/63) ======================= q-point: ( 0.40 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 11.799 6.645 10.995) 17.444 1.457 ( -1.490 3.639 1.823) 4.335 1.514 ( 9.609 5.887 7.149) 13.345 1.622 ( -5.712 5.723 -7.684) 11.155 1.696 ( -2.627 8.028 -0.153) 8.448 1.823 ( -13.524 9.155 10.327) 19.323 1.892 ( 6.123 10.524 -14.821) 19.181 2.055 ( -9.730 8.330 -11.939) 17.510 2.411 ( 8.212 6.089 10.714) 14.809 2.546 ( -4.344 1.591 7.003) 8.393 2.596 ( 6.918 1.701 -3.038) 7.744 2.605 ( 10.563 4.026 0.762) 11.330 2.724 ( 6.728 6.890 3.953) 10.409 2.754 ( -1.169 2.893 -1.575) 3.495 2.777 ( 2.289 8.036 0.987) 8.413 2.805 ( 2.227 7.378 -0.284) 7.712 3.033 ( -2.669 4.578 -4.422) 6.902 3.129 ( 15.804 4.975 -12.121) 20.529 3.247 ( -20.011 4.553 12.800) 24.187 3.485 ( -17.950 1.988 -10.607) 20.944 4.048 ( 8.809 -3.684 7.959) 12.430 4.181 ( 4.577 -4.224 0.959) 6.302 4.209 ( -1.140 -4.058 2.264) 4.784 4.360 ( -7.474 -5.144 -6.856) 11.372 5.174 ( 1.480 5.813 5.027) 7.827 5.202 ( -1.467 5.999 4.760) 7.797 5.283 ( 1.163 5.581 -4.719) 7.401 5.310 ( -1.567 6.024 -4.747) 7.828 5.645 ( 4.932 1.917 3.587) 6.393 5.694 ( 2.262 1.847 -0.837) 3.038 5.934 ( -2.667 -0.902 5.712) 6.368 6.027 ( -9.849 -1.604 -2.322) 10.246 6.563 ( 1.830 -2.172 0.722) 2.930 6.605 ( -2.086 -3.726 -2.834) 5.125 6.652 ( 0.674 -0.697 0.557) 1.118 6.690 ( -3.316 -0.523 -3.820) 5.085 7.206 ( 1.474 2.552 1.921) 3.518 7.219 ( 0.586 3.278 1.203) 3.540 7.303 ( 3.264 -2.227 0.040) 3.952 7.342 ( -0.511 -0.583 -3.044) 3.141 7.471 ( 5.137 -4.648 4.053) 8.026 7.481 ( 5.383 -4.531 3.093) 7.686 7.623 ( 0.810 -0.380 2.004) 2.195 7.667 ( -0.763 0.402 -2.053) 2.227 7.723 ( 0.978 4.192 -0.961) 4.411 7.752 ( 0.313 6.440 -2.006) 6.753 7.858 ( -2.195 -6.196 1.247) 6.691 7.911 ( -4.207 -3.298 -3.249) 6.255 8.135 ( -0.837 6.533 5.166) 8.370 8.160 ( -3.429 4.672 3.349) 6.694 8.234 ( -0.038 6.499 -5.077) 8.247 8.252 ( -1.744 4.619 -5.906) 7.697 8.822 ( 3.814 5.779 0.247) 6.928 8.843 ( 1.914 5.395 -1.766) 5.990 9.273 ( -0.532 -5.254 -0.015) 5.281 9.293 ( -2.386 -4.953 -2.122) 5.893 9.783 ( 3.731 -1.935 5.806) 7.168 9.840 ( -1.756 -1.695 0.808) 2.571 10.046 ( 2.371 -4.299 0.257) 4.916 10.088 ( -1.729 -3.683 -3.153) 5.147 ======================= Grid point 140 (49/63) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 0.000 15.938 12.033) 19.970 1.437 ( 0.000 14.595 14.551) 20.609 1.555 ( 0.000 6.810 -12.935) 14.618 1.784 ( 0.000 8.967 -17.535) 19.695 1.927 ( 0.000 4.181 9.604) 10.475 2.101 ( 0.000 3.407 -7.415) 8.160 2.322 ( 0.000 5.348 5.436) 7.626 2.411 ( 0.000 8.445 1.655) 8.606 2.443 ( 0.000 9.883 5.232) 11.183 2.510 ( 0.000 22.353 5.330) 22.980 2.589 ( 0.000 11.848 1.971) 12.011 2.713 ( 0.000 11.404 0.947) 11.443 2.736 ( 0.000 8.627 -1.310) 8.726 2.858 ( 0.000 13.095 -7.176) 14.932 2.860 ( 0.000 1.295 1.890) 2.291 2.905 ( 0.000 15.263 -9.211) 17.827 3.118 ( 0.000 4.593 6.347) 7.834 3.272 ( 0.000 2.877 -9.230) 9.668 3.641 ( 0.000 -0.203 2.670) 2.677 3.693 ( 0.000 3.683 -2.243) 4.313 3.986 ( 0.000 0.592 0.649) 0.878 3.989 ( 0.000 -3.137 0.532) 3.181 4.161 ( 0.000 -5.808 10.513) 12.010 4.337 ( 0.000 -9.448 -7.134) 11.839 5.285 ( 0.000 8.564 4.900) 9.867 5.387 ( 0.000 7.082 -5.137) 8.749 5.408 ( 0.000 9.092 7.545) 11.815 5.547 ( 0.000 6.872 -5.038) 8.521 5.625 ( 0.000 6.000 -0.363) 6.011 5.626 ( 0.000 7.039 -1.661) 7.232 6.080 ( 0.000 -6.859 6.531) 9.471 6.208 ( 0.000 -11.950 -5.119) 13.000 6.473 ( 0.000 0.420 -0.189) 0.460 6.496 ( 0.000 -1.911 -0.919) 2.121 6.616 ( 0.000 -3.102 9.162) 9.672 6.795 ( 0.000 -3.229 -7.915) 8.549 6.984 ( 0.000 1.163 2.492) 2.750 7.073 ( 0.000 -0.377 -6.116) 6.128 7.156 ( 0.000 -1.493 0.800) 1.694 7.162 ( 0.000 -0.574 -0.048) 0.576 7.416 ( 0.000 4.877 2.544) 5.501 7.417 ( 0.000 1.203 2.653) 2.913 7.604 ( 0.000 -2.285 3.061) 3.820 7.674 ( 0.000 0.905 -2.890) 3.028 7.891 ( 0.000 7.169 0.922) 7.228 7.936 ( 0.000 7.855 -2.892) 8.370 7.969 ( 0.000 -0.586 0.834) 1.019 8.013 ( 0.000 1.181 -3.220) 3.430 8.207 ( 0.000 -2.282 8.135) 8.449 8.338 ( 0.000 -0.030 -4.225) 4.225 8.456 ( 0.000 5.110 -1.120) 5.232 8.457 ( 0.000 7.515 -1.795) 7.726 8.762 ( 0.000 6.568 0.849) 6.622 8.784 ( 0.000 6.802 -1.115) 6.893 9.243 ( 0.000 -6.283 0.108) 6.283 9.257 ( 0.000 -4.756 -1.748) 5.067 9.618 ( 0.000 -3.483 5.468) 6.483 9.735 ( 0.000 -3.592 -5.989) 6.983 9.931 ( 0.000 -4.105 6.897) 8.026 10.054 ( 0.000 -3.542 -5.488) 6.532 ======================= Grid point 141 (50/63) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 6.031 15.258 10.030) 19.230 1.521 ( 7.499 12.572 9.526) 17.465 1.563 ( 1.397 8.481 -6.863) 10.999 1.820 ( 1.572 8.592 -14.214) 16.683 1.920 ( -1.118 6.408 7.185) 9.693 2.061 ( -1.590 6.850 -6.834) 9.806 2.259 ( -9.970 9.028 6.619) 14.991 2.363 ( -3.553 5.100 -3.280) 7.028 2.456 ( 3.796 4.038 0.696) 5.585 2.503 ( -3.603 8.004 -4.414) 9.825 2.627 ( 10.287 24.389 13.913) 29.904 2.735 ( 0.215 6.930 3.466) 7.752 2.820 ( 2.543 6.229 -0.069) 6.728 2.843 ( 0.603 7.062 0.858) 7.140 2.874 ( 3.088 10.743 -2.785) 11.520 2.968 ( 5.993 16.251 -11.216) 20.635 3.109 ( -0.023 6.457 4.489) 7.864 3.243 ( -2.359 6.342 -8.458) 10.832 3.657 ( -6.884 6.111 2.799) 9.622 3.691 ( 2.067 -0.384 -0.543) 2.171 3.897 ( -5.004 -1.614 4.215) 6.739 3.973 ( 0.896 -4.106 -2.528) 4.904 4.160 ( -1.405 -6.194 7.758) 10.026 4.308 ( -3.133 -9.449 -6.460) 11.867 5.296 ( 1.007 8.395 4.593) 9.623 5.378 ( -1.214 7.499 0.380) 7.606 5.405 ( 0.182 8.117 1.490) 8.255 5.501 ( -3.066 7.149 -3.655) 8.594 5.644 ( 2.359 4.769 1.471) 5.521 5.693 ( 4.559 6.755 -3.439) 8.846 6.005 ( -6.108 -3.931 6.473) 9.729 6.123 ( -7.088 -7.348 -4.294) 11.076 6.496 ( 1.740 -0.759 0.702) 2.024 6.532 ( 1.770 -2.474 -2.263) 3.791 6.614 ( 0.624 -1.681 5.764) 6.037 6.745 ( -3.666 -1.566 -6.803) 7.884 7.078 ( 8.218 -1.322 4.094) 9.276 7.178 ( 4.218 -1.983 -1.784) 4.991 7.180 ( 5.234 -2.247 -1.303) 5.844 7.206 ( 6.051 -0.413 -1.530) 6.255 7.393 ( -1.108 1.283 3.661) 4.035 7.425 ( -0.685 2.097 0.592) 2.284 7.602 ( 0.339 -1.166 3.838) 4.026 7.682 ( 0.033 0.552 -3.238) 3.285 7.838 ( -4.970 3.095 1.338) 6.005 7.884 ( -5.478 1.321 -1.248) 5.771 7.938 ( -1.577 5.615 -0.744) 5.879 7.989 ( -2.530 2.617 -4.141) 5.513 8.223 ( 0.822 0.848 5.205) 5.337 8.300 ( -3.487 0.859 -2.411) 4.326 8.400 ( -2.697 7.406 1.237) 7.978 8.437 ( -2.535 7.372 -2.601) 8.218 8.844 ( 5.922 6.457 -0.209) 8.764 8.850 ( 6.389 4.144 -0.871) 7.665 9.194 ( -3.510 -6.035 1.130) 7.072 9.242 ( -2.538 -4.766 -3.598) 6.489 9.653 ( 3.442 -3.282 6.486) 8.043 9.773 ( 3.055 -3.495 -5.279) 7.030 9.922 ( -0.681 -4.942 6.224) 7.977 10.038 ( -1.692 -4.097 -5.216) 6.845 ======================= Grid point 142 (51/63) ======================= q-point: ( 0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 8.520 12.218 6.146) 16.114 1.578 ( -0.756 8.396 -1.889) 8.639 1.681 ( 6.806 10.186 4.190) 12.947 1.777 ( -4.959 9.113 -6.614) 12.304 1.907 ( 2.183 11.623 7.184) 13.837 2.045 ( -10.774 11.921 8.759) 18.300 2.109 ( 5.587 9.895 -11.795) 16.379 2.240 ( -7.630 8.602 -9.969) 15.218 2.493 ( 2.418 3.126 3.377) 5.198 2.533 ( 0.823 -0.547 1.768) 2.026 2.691 ( 0.304 5.046 -1.393) 5.244 2.757 ( -4.190 3.918 -5.827) 8.176 2.906 ( 11.641 15.353 8.342) 20.996 2.927 ( 4.669 11.071 1.577) 12.118 2.975 ( 5.277 11.660 0.478) 12.807 3.015 ( -1.048 14.295 1.299) 14.392 3.158 ( 2.947 7.345 0.294) 7.920 3.264 ( 6.837 9.076 -5.872) 12.791 3.415 ( -13.375 11.816 5.522) 18.682 3.555 ( -13.629 5.266 -6.518) 15.999 3.947 ( 7.480 -6.022 7.114) 11.951 4.061 ( 3.109 -7.370 1.390) 8.119 4.099 ( -1.492 -6.461 0.361) 6.641 4.215 ( -6.414 -8.825 -5.784) 12.348 5.320 ( 1.387 7.939 3.963) 8.981 5.348 ( -1.629 7.589 3.359) 8.458 5.418 ( 1.163 7.330 -2.161) 7.730 5.450 ( -2.194 7.041 -3.015) 7.968 5.706 ( 3.868 3.991 3.422) 6.527 5.757 ( 0.427 4.267 -0.435) 4.310 5.919 ( -0.768 -0.344 2.110) 2.272 5.988 ( -6.296 -1.909 -3.358) 7.387 6.521 ( 1.040 -1.390 0.238) 1.752 6.539 ( -0.661 -2.195 -0.944) 2.479 6.646 ( 2.128 0.106 0.066) 2.132 6.687 ( -2.368 0.155 -3.623) 4.331 7.206 ( 4.098 -2.011 3.696) 5.874 7.237 ( 1.634 -1.813 3.448) 4.225 7.277 ( 5.102 -1.387 -0.125) 5.289 7.348 ( 1.049 0.434 -5.477) 5.594 7.385 ( 2.422 -3.072 4.245) 5.773 7.411 ( 1.418 -1.904 1.538) 2.829 7.615 ( 0.170 -0.712 2.335) 2.447 7.641 ( -3.538 -3.270 -0.002) 4.818 7.766 ( -1.507 -0.195 -2.700) 3.098 7.782 ( -3.908 -1.302 -1.852) 4.516 7.911 ( -0.711 8.389 -2.539) 8.794 7.932 ( -2.745 6.572 -4.292) 8.315 8.228 ( 0.047 3.626 3.389) 4.963 8.243 ( -1.874 3.553 1.849) 4.423 8.374 ( -0.067 6.966 -0.181) 6.969 8.392 ( -1.809 7.163 -1.824) 7.610 8.947 ( 4.450 5.191 0.588) 6.862 8.965 ( 3.737 5.906 -1.037) 7.065 9.137 ( -1.433 -7.383 -0.281) 7.527 9.173 ( -3.988 -5.578 -3.660) 7.773 9.732 ( 4.348 -2.838 6.246) 8.123 9.797 ( -1.575 -2.384 1.567) 3.259 9.932 ( 2.430 -6.484 -0.090) 6.925 9.992 ( -3.058 -5.424 -4.207) 7.515 ======================= Grid point 145 (52/63) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 18.796 3.533) 19.125 1.725 ( 0.000 13.044 -1.263) 13.106 1.772 ( 0.000 13.887 5.049) 14.777 1.979 ( 0.000 9.612 -11.775) 15.201 2.026 ( 0.000 5.226 7.893) 9.467 2.173 ( 0.000 3.692 -6.685) 7.637 2.433 ( 0.000 5.687 3.207) 6.529 2.519 ( 0.000 5.211 -4.661) 6.992 2.612 ( 0.000 6.774 5.791) 8.912 2.740 ( 0.000 6.312 -6.056) 8.748 2.784 ( 0.000 -0.446 1.440) 1.508 2.827 ( 0.000 1.714 -1.527) 2.296 2.945 ( 0.000 7.922 6.325) 10.137 3.034 ( 0.000 7.710 -2.387) 8.071 3.139 ( 0.000 26.665 10.392) 28.618 3.258 ( 0.000 8.171 3.335) 8.826 3.331 ( 0.000 18.220 -8.119) 19.948 3.354 ( 0.000 4.763 -7.340) 8.750 3.641 ( 0.000 0.136 6.023) 6.024 3.753 ( 0.000 2.004 -5.282) 5.649 3.967 ( 0.000 1.972 3.654) 4.152 4.013 ( 0.000 1.094 -1.690) 2.013 4.067 ( 0.000 -1.551 4.634) 4.886 4.148 ( 0.000 -6.720 -2.976) 7.349 5.470 ( 0.000 9.309 3.497) 9.944 5.535 ( 0.000 7.132 -2.987) 7.732 5.581 ( 0.000 7.570 6.598) 10.042 5.634 ( 0.000 3.341 1.363) 3.608 5.757 ( 0.000 6.685 -1.293) 6.809 5.806 ( 0.000 8.763 -5.453) 10.321 5.959 ( 0.000 -4.856 1.306) 5.028 5.989 ( 0.000 -8.874 -1.319) 8.972 6.508 ( 0.000 2.519 -1.176) 2.780 6.511 ( 0.000 2.495 -0.148) 2.500 6.567 ( 0.000 -1.566 5.768) 5.977 6.724 ( 0.000 -3.417 -8.624) 9.277 7.038 ( 0.000 3.624 1.480) 3.915 7.074 ( 0.000 -0.058 -2.109) 2.109 7.160 ( 0.000 2.462 1.261) 2.766 7.170 ( 0.000 1.748 0.073) 1.750 7.401 ( 0.000 -2.582 5.669) 6.230 7.468 ( 0.000 -1.175 -0.559) 1.301 7.581 ( 0.000 0.995 4.454) 4.564 7.693 ( 0.000 0.525 -4.287) 4.319 7.901 ( 0.000 -4.108 1.429) 4.349 7.962 ( 0.000 -4.151 -2.914) 5.072 8.040 ( 0.000 5.505 -0.454) 5.524 8.085 ( 0.000 4.022 -4.289) 5.880 8.171 ( 0.000 -0.593 7.873) 7.895 8.322 ( 0.000 -1.205 -5.866) 5.989 8.548 ( 0.000 4.652 2.442) 5.254 8.592 ( 0.000 5.750 -2.541) 6.287 8.887 ( 0.000 3.231 2.048) 3.826 8.896 ( 0.000 5.633 1.029) 5.726 9.125 ( 0.000 -4.854 0.758) 4.912 9.181 ( 0.000 -2.796 -4.759) 5.520 9.565 ( 0.000 -1.421 5.260) 5.448 9.674 ( 0.000 -2.109 -5.559) 5.945 9.847 ( 0.000 -3.881 7.395) 8.352 9.978 ( 0.000 -3.826 -5.769) 6.922 ======================= Grid point 146 (53/63) ======================= q-point: ( 0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 3.457 17.420 3.048) 18.020 1.749 ( 1.935 11.583 -4.209) 12.475 1.821 ( 4.481 13.801 7.983) 16.561 2.004 ( 0.855 8.936 -8.914) 12.651 2.050 ( 2.583 6.442 6.130) 9.260 2.187 ( 2.694 5.694 -6.591) 9.117 2.421 ( -3.249 6.812 3.069) 8.147 2.464 ( -5.071 6.122 -0.352) 7.957 2.546 ( -1.863 4.593 0.228) 4.962 2.637 ( -6.282 4.062 -6.814) 10.119 2.809 ( -2.831 2.102 3.745) 5.143 2.854 ( 1.792 2.899 -0.539) 3.451 3.000 ( 4.386 8.062 3.401) 9.787 3.064 ( 4.753 7.997 -2.839) 9.727 3.193 ( 3.846 20.745 7.015) 22.235 3.268 ( 2.362 10.178 5.066) 11.612 3.330 ( -0.522 14.038 -5.218) 14.985 3.408 ( 4.814 9.855 -7.030) 13.028 3.676 ( 3.578 -0.415 5.458) 6.539 3.778 ( 1.853 3.331 -4.628) 5.996 3.902 ( -6.617 2.648 3.005) 7.735 3.934 ( -6.051 3.000 0.959) 6.822 4.047 ( -2.791 -3.977 2.525) 5.476 4.118 ( -3.099 -6.953 -3.188) 8.253 5.473 ( 0.169 8.697 2.994) 9.199 5.520 ( -1.597 6.483 -0.876) 6.734 5.568 ( -0.553 7.210 3.345) 7.967 5.617 ( -1.865 4.873 -0.249) 5.223 5.756 ( 1.138 6.057 2.313) 6.583 5.843 ( 2.047 6.913 -4.265) 8.377 5.938 ( -1.591 -2.457 0.961) 3.081 5.982 ( -0.793 -5.770 -2.476) 6.329 6.511 ( 0.441 1.936 -0.017) 1.986 6.523 ( 0.696 1.344 0.468) 1.584 6.593 ( 2.599 -0.444 2.718) 3.786 6.709 ( -1.177 -2.018 -6.969) 7.350 7.083 ( 4.386 1.356 2.316) 5.142 7.131 ( 4.666 -1.781 -1.597) 5.243 7.170 ( 1.289 0.899 2.031) 2.568 7.211 ( 4.013 0.820 -1.105) 4.242 7.381 ( -1.753 -1.930 4.880) 5.533 7.440 ( -2.340 -1.148 -0.455) 2.645 7.604 ( 1.634 1.229 3.288) 3.872 7.675 ( -3.395 -1.725 -0.678) 3.868 7.812 ( -5.555 -2.843 -1.649) 6.454 7.863 ( -6.745 -3.256 -3.821) 8.408 8.072 ( 1.343 6.897 -1.376) 7.160 8.098 ( 0.106 6.139 -3.772) 7.206 8.232 ( 4.778 -0.358 5.776) 7.504 8.320 ( -0.117 0.738 -2.612) 2.717 8.518 ( -2.612 4.472 3.045) 6.008 8.562 ( -3.296 4.809 -1.704) 6.074 8.892 ( 2.431 0.491 2.547) 3.555 8.956 ( 3.824 3.728 -3.142) 6.196 9.093 ( -2.166 -3.022 3.171) 4.887 9.185 ( -0.619 -0.939 -5.616) 5.727 9.597 ( 3.201 -1.952 5.705) 6.827 9.706 ( 3.106 -2.822 -5.158) 6.650 9.826 ( -2.072 -4.212 7.104) 8.514 9.953 ( -2.599 -4.141 -5.561) 7.405 ======================= Grid point 147 (54/63) ======================= q-point: ( 0.40 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 3.894 13.728 2.290) 14.452 1.782 ( 0.620 11.131 -0.724) 11.171 1.897 ( 3.371 10.502 1.720) 11.164 1.969 ( -3.816 9.290 -5.259) 11.337 2.139 ( 6.700 10.887 7.498) 14.820 2.267 ( -1.119 8.027 -0.976) 8.163 2.301 ( -0.968 10.967 0.037) 11.010 2.387 ( -4.718 6.344 -4.292) 8.996 2.542 ( 0.789 2.466 -1.073) 2.803 2.565 ( -1.716 3.312 -3.094) 4.846 2.764 ( -0.115 2.225 0.274) 2.245 2.815 ( -4.144 2.544 -4.122) 6.375 3.104 ( 5.519 6.840 4.521) 9.884 3.161 ( 1.705 8.957 0.925) 9.165 3.226 ( 2.078 7.635 0.826) 7.956 3.291 ( -2.901 9.574 -3.695) 10.665 3.406 ( 10.102 18.694 6.730) 22.289 3.510 ( 4.250 13.703 -3.291) 14.720 3.687 ( -8.002 11.444 2.084) 14.118 3.706 ( -5.861 9.596 0.780) 11.271 3.836 ( 3.743 -2.464 4.151) 6.108 3.907 ( 1.794 -6.367 -0.049) 6.615 3.971 ( -3.018 -4.663 -0.420) 5.571 4.035 ( -5.230 -6.824 -3.835) 9.414 5.475 ( 0.216 7.203 1.811) 7.431 5.488 ( -1.285 6.220 0.901) 6.415 5.567 ( 0.391 7.004 0.719) 7.051 5.583 ( -1.342 6.220 -0.355) 6.373 5.795 ( 2.621 4.540 4.343) 6.807 5.844 ( -1.988 3.454 2.480) 4.693 5.931 ( 1.151 1.687 -3.924) 4.423 5.960 ( -1.484 -0.659 -4.148) 4.454 6.521 ( 0.551 1.419 0.500) 1.602 6.529 ( -0.170 1.317 0.094) 1.331 6.650 ( 2.820 0.127 -0.439) 2.856 6.688 ( -1.241 -0.282 -3.612) 3.830 7.167 ( 2.827 -1.774 2.666) 4.272 7.191 ( 0.112 -2.284 1.941) 2.999 7.219 ( 5.480 -3.448 4.864) 8.098 7.323 ( 0.928 -3.077 2.765) 4.239 7.329 ( 1.632 -2.029 -2.600) 3.680 7.410 ( -1.119 0.548 -3.233) 3.465 7.572 ( -4.562 -2.753 1.251) 5.473 7.580 ( -4.432 -2.513 0.104) 5.096 7.756 ( 0.484 -0.135 -2.152) 2.210 7.787 ( -1.943 0.590 -4.483) 4.921 8.085 ( 0.385 8.551 -2.338) 8.873 8.093 ( -0.457 8.223 -2.964) 8.752 8.303 ( 2.225 3.502 3.101) 5.180 8.320 ( 0.028 4.092 1.263) 4.282 8.473 ( -1.234 2.074 2.497) 3.472 8.493 ( -3.018 2.037 0.381) 3.661 8.956 ( 3.518 -2.637 1.405) 4.616 9.004 ( -0.465 -4.483 -2.518) 5.162 9.081 ( 2.274 4.642 1.016) 5.268 9.146 ( -3.274 2.280 -4.680) 6.150 9.675 ( 4.513 -2.705 6.076) 8.037 9.751 ( -2.097 -2.148 3.394) 4.531 9.802 ( 2.933 -5.964 -1.637) 6.845 9.884 ( -4.362 -4.870 -4.986) 8.222 ======================= Grid point 150 (55/63) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.000 11.219 0.685) 11.240 1.984 ( 0.000 14.945 -0.608) 14.957 2.042 ( 0.000 11.213 4.259) 11.995 2.130 ( 0.000 5.456 6.296) 8.331 2.145 ( 0.000 6.053 -5.677) 8.299 2.252 ( 0.000 4.484 -5.804) 7.335 2.545 ( 0.000 5.022 1.439) 5.224 2.614 ( 0.000 2.896 -5.362) 6.094 2.714 ( 0.000 3.621 2.547) 4.427 2.732 ( 0.000 -0.447 1.124) 1.210 2.859 ( 0.000 2.124 -0.406) 2.162 2.867 ( 0.000 4.478 -1.964) 4.890 3.079 ( 0.000 4.699 5.486) 7.223 3.157 ( 0.000 4.132 -0.401) 4.152 3.339 ( 0.000 -5.491 -0.075) 5.492 3.402 ( 0.000 4.366 -1.800) 4.722 3.478 ( 0.000 0.454 2.100) 2.148 3.563 ( 0.000 3.633 -4.114) 5.489 3.706 ( 0.000 11.016 4.873) 12.046 3.818 ( 0.000 5.179 -6.086) 7.991 3.987 ( 0.000 0.633 3.944) 3.995 4.045 ( 0.000 4.581 -1.880) 4.952 4.200 ( 0.000 14.325 1.645) 14.420 4.208 ( 0.000 10.518 0.845) 10.552 5.633 ( 0.000 5.485 0.866) 5.553 5.646 ( 0.000 3.123 -0.424) 3.151 5.704 ( 0.000 4.402 4.750) 6.477 5.720 ( 0.000 5.674 1.610) 5.898 5.871 ( 0.000 -0.952 0.048) 0.953 5.879 ( 0.000 -2.865 -0.936) 3.014 5.887 ( 0.000 5.106 -0.261) 5.113 5.960 ( 0.000 6.259 -5.424) 8.283 6.546 ( 0.000 0.463 4.794) 4.816 6.567 ( 0.000 3.127 0.170) 3.131 6.588 ( 0.000 3.801 -2.022) 4.305 6.669 ( 0.000 -1.859 -7.217) 7.453 7.072 ( 0.000 0.178 0.593) 0.619 7.095 ( 0.000 1.560 -1.149) 1.938 7.238 ( 0.000 4.410 2.941) 5.300 7.247 ( 0.000 5.629 1.558) 5.840 7.333 ( 0.000 -3.606 4.686) 5.913 7.399 ( 0.000 -4.545 -1.083) 4.673 7.615 ( 0.000 1.739 2.300) 2.884 7.671 ( 0.000 -3.250 2.395) 4.037 7.808 ( 0.000 -3.985 -5.624) 6.893 7.847 ( 0.000 -6.517 -4.156) 7.729 8.068 ( 0.000 -4.139 3.328) 5.311 8.097 ( 0.000 -1.060 -0.619) 1.227 8.231 ( 0.000 4.908 1.646) 5.177 8.321 ( 0.000 2.047 -5.397) 5.772 8.645 ( 0.000 4.566 2.436) 5.175 8.686 ( 0.000 3.538 -2.177) 4.154 8.933 ( 0.000 1.828 3.139) 3.633 8.972 ( 0.000 2.019 0.451) 2.069 9.056 ( 0.000 -2.118 1.457) 2.571 9.129 ( 0.000 -2.696 -4.664) 5.388 9.566 ( 0.000 1.432 4.170) 4.409 9.654 ( 0.000 0.066 -4.481) 4.482 9.783 ( 0.000 -2.328 6.740) 7.131 9.904 ( 0.000 -3.487 -5.370) 6.403 ======================= Grid point 151 (56/63) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 0.434 11.163 1.069) 11.222 1.996 ( 1.136 13.124 -0.902) 13.204 2.059 ( 0.975 8.692 3.951) 9.597 2.157 ( -0.090 5.170 -5.497) 7.546 2.187 ( 6.245 8.138 5.787) 11.778 2.301 ( 5.278 5.804 -5.601) 9.639 2.539 ( -0.700 5.093 1.330) 5.310 2.606 ( -2.777 6.315 -2.745) 7.425 2.627 ( -2.566 3.007 0.059) 3.953 2.680 ( -4.672 2.716 -2.740) 6.059 2.859 ( -1.510 2.987 4.070) 5.269 2.915 ( 0.594 2.609 -1.522) 3.078 3.109 ( 3.178 2.703 3.377) 5.368 3.166 ( 2.756 2.390 -2.038) 4.178 3.330 ( -1.067 -2.150 5.284) 5.803 3.441 ( 2.312 2.669 -2.362) 4.249 3.497 ( 2.859 -1.986 -0.928) 3.603 3.544 ( -0.777 1.996 -3.107) 3.774 3.741 ( 2.598 7.925 3.710) 9.128 3.819 ( -0.981 0.664 -3.409) 3.609 3.972 ( -0.598 6.893 1.960) 7.191 4.011 ( -3.213 6.223 -1.587) 7.181 4.173 ( -3.257 12.760 1.753) 13.285 4.180 ( -2.064 14.047 1.047) 14.236 5.621 ( -0.905 5.034 0.558) 5.145 5.627 ( -1.574 3.677 0.159) 4.003 5.689 ( -0.110 5.854 3.266) 6.704 5.736 ( -0.544 6.836 -0.102) 6.859 5.864 ( -0.051 2.294 1.833) 2.937 5.888 ( 1.301 -1.587 -0.025) 2.052 5.897 ( 0.978 0.876 0.793) 1.533 5.985 ( 1.455 4.673 -6.246) 7.935 6.553 ( 0.726 1.699 4.108) 4.505 6.573 ( 0.519 2.907 0.908) 3.090 6.608 ( 2.053 2.421 -2.338) 3.942 6.671 ( 0.216 -1.419 -6.237) 6.400 7.096 ( 2.378 -0.590 1.608) 2.930 7.119 ( 2.132 0.817 -0.443) 2.326 7.206 ( -2.816 1.632 1.291) 3.502 7.219 ( -1.940 -0.687 0.792) 2.205 7.342 ( -0.463 -1.311 5.252) 5.433 7.413 ( 1.573 -0.454 -1.264) 2.068 7.608 ( -5.521 -4.443 3.477) 7.894 7.625 ( -1.373 0.300 0.511) 1.495 7.744 ( -3.782 -3.577 -3.230) 6.126 7.801 ( -1.033 -2.046 -7.415) 7.761 8.162 ( 7.105 -2.914 2.170) 7.981 8.179 ( 5.727 1.773 -1.048) 6.087 8.240 ( 1.303 4.177 3.002) 5.306 8.326 ( 0.604 1.073 -3.875) 4.065 8.592 ( -5.023 3.055 3.016) 6.607 8.636 ( -5.574 2.753 -1.546) 6.406 8.909 ( 0.483 1.567 3.058) 3.470 8.984 ( -1.141 0.391 -4.035) 4.211 9.083 ( 3.689 0.562 3.993) 5.465 9.169 ( 2.297 -1.292 -4.427) 5.152 9.582 ( 1.719 0.517 4.279) 4.640 9.667 ( 1.459 -0.942 -4.047) 4.404 9.760 ( -2.250 -2.261 6.295) 7.057 9.875 ( -2.912 -3.526 -5.121) 6.866 ======================= Grid point 152 (57/63) ======================= q-point: ( 0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 1.006 9.944 1.838) 10.162 2.007 ( -0.315 10.115 1.087) 10.178 2.087 ( 2.215 8.061 -0.490) 8.374 2.132 ( -2.158 6.395 -4.108) 7.901 2.334 ( 7.618 8.429 3.573) 11.910 2.398 ( 2.464 5.671 -3.357) 7.036 2.513 ( -1.656 7.383 1.908) 7.803 2.526 ( -3.207 9.783 2.269) 10.542 2.632 ( 0.021 5.443 -2.784) 6.114 2.638 ( 1.133 4.541 -5.106) 6.927 2.797 ( -1.770 1.420 2.345) 3.263 2.857 ( -5.628 1.572 -3.591) 6.859 3.185 ( 4.814 0.841 5.867) 7.635 3.260 ( 0.592 0.165 3.779) 3.829 3.300 ( 2.622 0.047 0.435) 2.659 3.409 ( -5.100 1.839 -4.422) 6.995 3.592 ( 6.398 -4.001 -0.786) 7.586 3.612 ( 6.758 -1.861 -1.498) 7.168 3.731 ( -4.961 -4.345 1.397) 6.741 3.759 ( -4.843 -1.929 -0.887) 5.288 3.969 ( 0.427 14.654 1.329) 14.720 3.986 ( 0.718 14.615 -0.275) 14.635 4.111 ( -1.927 15.064 2.053) 15.325 4.130 ( -2.802 14.867 0.208) 15.130 5.606 ( -0.386 5.597 0.275) 5.617 5.608 ( -0.445 5.788 0.059) 5.805 5.691 ( 0.330 5.503 1.389) 5.686 5.709 ( -1.550 6.036 -0.100) 6.233 5.875 ( 0.972 2.479 3.813) 4.651 5.892 ( -0.511 2.372 3.600) 4.341 5.945 ( 2.965 -0.212 -3.308) 4.447 5.988 ( -1.236 2.329 -5.386) 5.997 6.571 ( 0.951 3.052 2.297) 3.936 6.581 ( 0.042 3.211 1.222) 3.436 6.654 ( 2.216 0.650 -2.274) 3.242 6.676 ( -0.022 -0.697 -3.708) 3.773 7.122 ( -0.800 -2.898 3.657) 4.734 7.139 ( -2.720 -3.053 2.828) 4.971 7.169 ( 4.673 -1.150 2.496) 5.421 7.268 ( 5.853 -3.328 -5.597) 8.755 7.279 ( -4.960 -1.463 5.487) 7.540 7.405 ( -5.103 -1.520 -6.622) 8.497 7.533 ( -1.492 -1.105 2.006) 2.734 7.544 ( -2.433 -0.990 0.368) 2.652 7.760 ( 2.698 0.816 -1.598) 3.240 7.794 ( -0.636 0.496 -4.596) 4.666 8.238 ( 1.402 6.434 -1.016) 6.663 8.250 ( 0.951 6.169 -2.325) 6.661 8.330 ( 7.150 -1.523 4.359) 8.512 8.373 ( 5.211 -1.234 -0.184) 5.358 8.470 ( -7.282 0.067 3.349) 8.016 8.502 ( -7.538 0.922 -0.218) 7.598 8.940 ( 1.931 1.266 0.910) 2.482 8.966 ( -0.852 0.550 -1.208) 1.577 9.149 ( 2.843 1.759 0.111) 3.345 9.185 ( -0.734 0.796 -3.091) 3.275 9.631 ( 3.256 -1.355 4.663) 5.847 9.694 ( -2.169 -3.237 3.707) 5.378 9.725 ( 2.299 -1.540 -2.105) 3.477 9.801 ( -4.426 -3.314 -4.452) 7.099 ======================= Grid point 155 (58/63) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 0.000 4.529 2.428) 5.138 2.176 ( 0.000 4.832 3.133) 5.759 2.197 ( 0.000 3.600 -2.283) 4.263 2.224 ( 0.000 4.282 -1.815) 4.651 2.288 ( 0.000 8.330 2.959) 8.840 2.360 ( 0.000 5.604 -3.996) 6.883 2.621 ( 0.000 0.243 -0.239) 0.341 2.626 ( 0.000 3.259 -0.781) 3.351 2.787 ( 0.000 3.920 0.443) 3.945 2.793 ( 0.000 4.500 -0.495) 4.527 2.909 ( 0.000 2.398 1.137) 2.654 2.932 ( 0.000 2.018 -1.498) 2.513 3.129 ( 0.000 -0.135 4.461) 4.463 3.151 ( 0.000 -7.297 7.321) 10.337 3.230 ( 0.000 -0.865 -5.626) 5.692 3.299 ( 0.000 -8.896 -6.395) 10.956 3.501 ( 0.000 2.006 5.380) 5.742 3.576 ( 0.000 -0.912 -1.289) 1.579 3.910 ( 0.000 7.116 -2.897) 7.683 3.930 ( 0.000 5.116 -4.734) 6.970 4.067 ( 0.000 5.640 4.442) 7.179 4.139 ( 0.000 4.103 -2.816) 4.977 4.478 ( 0.000 13.713 3.648) 14.190 4.508 ( 0.000 13.677 0.411) 13.684 5.677 ( 0.000 0.193 0.145) 0.242 5.684 ( 0.000 1.136 -0.715) 1.343 5.749 ( 0.000 0.798 1.451) 1.656 5.786 ( 0.000 -0.851 -1.996) 2.170 5.886 ( 0.000 4.550 3.407) 5.684 5.937 ( 0.000 5.652 3.505) 6.650 5.985 ( 0.000 3.993 -2.272) 4.594 6.060 ( 0.000 3.482 -4.058) 5.347 6.569 ( 0.000 1.871 2.084) 2.800 6.619 ( 0.000 1.709 -0.121) 1.714 6.656 ( 0.000 0.494 -3.799) 3.831 6.659 ( 0.000 2.566 -1.918) 3.204 7.089 ( 0.000 1.570 0.666) 1.705 7.110 ( 0.000 0.342 -0.932) 0.993 7.266 ( 0.000 -2.762 2.661) 3.835 7.284 ( 0.000 -2.980 2.974) 4.210 7.334 ( 0.000 1.300 2.701) 2.997 7.372 ( 0.000 5.940 0.248) 5.945 7.569 ( 0.000 -5.886 6.864) 9.041 7.651 ( 0.000 0.987 -1.386) 1.701 7.724 ( 0.000 -4.089 -4.413) 6.016 7.761 ( 0.000 -0.832 -8.516) 8.556 7.965 ( 0.000 -5.550 2.774) 6.205 8.016 ( 0.000 -5.823 -1.914) 6.130 8.328 ( 0.000 4.387 2.584) 5.091 8.384 ( 0.000 3.110 -2.573) 4.036 8.722 ( 0.000 2.939 0.694) 3.019 8.739 ( 0.000 1.759 -1.240) 2.153 8.967 ( 0.000 1.455 2.673) 3.043 8.989 ( 0.000 -0.073 2.046) 2.047 9.031 ( 0.000 -0.486 -0.169) 0.514 9.072 ( 0.000 -2.708 -2.890) 3.961 9.611 ( 0.000 2.694 2.518) 3.687 9.667 ( 0.000 0.883 -2.821) 2.956 9.752 ( 0.000 -0.793 4.482) 4.552 9.837 ( 0.000 -3.084 -4.007) 5.056 ======================= Grid point 156 (59/63) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -0.049 4.617 2.368) 5.189 2.168 ( -0.652 5.513 3.273) 6.445 2.204 ( 0.550 3.653 -2.666) 4.555 2.226 ( 0.271 4.248 -1.853) 4.643 2.363 ( 6.767 7.854 1.926) 10.544 2.415 ( 5.453 5.082 -3.170) 8.100 2.624 ( 0.288 2.680 -0.154) 2.700 2.633 ( 1.284 2.073 -0.961) 2.621 2.754 ( -2.160 6.436 1.218) 6.897 2.783 ( -1.106 5.878 -1.684) 6.213 2.912 ( -1.007 1.918 2.385) 3.222 2.951 ( -0.336 0.908 -1.569) 1.844 3.108 ( 0.806 -3.047 3.658) 4.829 3.178 ( -1.868 -0.561 0.150) 1.956 3.198 ( 1.400 -7.957 2.945) 8.599 3.335 ( 2.035 -8.904 -6.016) 10.937 3.497 ( -0.026 1.707 3.374) 3.782 3.555 ( -1.183 -0.372 -1.044) 1.621 3.825 ( -7.245 2.347 -1.332) 7.731 3.856 ( -5.806 1.975 -3.800) 7.215 4.160 ( 6.791 9.140 1.261) 11.457 4.188 ( 4.344 8.665 -1.245) 9.772 4.457 ( -2.140 13.664 3.480) 14.262 4.487 ( -2.236 13.434 0.309) 13.623 5.678 ( 0.803 1.985 0.129) 2.146 5.688 ( 0.650 2.246 -0.826) 2.480 5.784 ( 2.495 1.856 1.929) 3.659 5.824 ( 3.242 -0.606 -1.992) 3.852 5.877 ( -0.398 3.249 2.055) 3.865 5.911 ( -2.800 5.417 0.283) 6.104 5.972 ( -0.756 3.264 2.227) 4.023 6.057 ( -0.772 2.264 -4.233) 4.862 6.581 ( 1.195 1.556 2.288) 3.015 6.624 ( 0.587 1.467 0.147) 1.587 6.650 ( 0.430 1.227 -1.962) 2.354 6.678 ( 0.980 1.878 -3.477) 4.072 7.092 ( 0.091 0.376 1.960) 1.998 7.129 ( 1.804 -0.109 -1.581) 2.401 7.188 ( -5.177 -1.428 2.016) 5.736 7.206 ( -5.862 -1.461 0.437) 6.057 7.338 ( -1.181 0.537 5.371) 5.526 7.429 ( 1.754 1.318 -2.464) 3.299 7.509 ( -3.207 -4.940 4.287) 7.285 7.586 ( -6.894 -3.950 -3.504) 8.684 7.731 ( 3.529 2.658 -1.185) 4.574 7.787 ( 2.535 0.981 -6.396) 6.950 8.057 ( 7.706 -6.194 3.856) 10.612 8.118 ( 7.819 -5.895 -2.211) 10.039 8.337 ( 0.964 4.514 2.622) 5.309 8.386 ( 0.128 3.439 -1.856) 3.910 8.643 ( -6.719 2.003 1.690) 7.212 8.677 ( -6.437 1.347 -1.662) 6.783 8.951 ( 1.227 2.449 2.531) 3.729 9.001 ( -0.604 1.176 -1.775) 2.213 9.079 ( 4.767 -0.896 2.026) 5.257 9.128 ( 3.496 -2.570 -2.387) 4.952 9.612 ( 0.175 2.127 2.521) 3.302 9.664 ( -0.186 0.399 -2.390) 2.430 9.731 ( -1.980 -0.776 3.925) 4.464 9.809 ( -2.744 -2.970 -3.753) 5.517 ======================= Grid point 157 (60/63) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.162 4.932 2.807) 5.677 2.156 ( -0.561 5.539 3.214) 6.428 2.215 ( 0.615 3.356 -3.257) 4.717 2.225 ( -0.376 3.848 -3.121) 4.968 2.493 ( 4.805 7.226 0.505) 8.692 2.512 ( 2.678 5.767 -1.562) 6.548 2.650 ( 3.287 5.559 1.866) 6.722 2.695 ( 3.273 3.630 -1.962) 5.267 2.724 ( 0.678 7.576 1.975) 7.858 2.774 ( 0.866 7.009 -3.004) 7.675 2.833 ( -5.805 2.531 2.370) 6.761 2.882 ( -6.418 1.112 -2.585) 7.008 3.144 ( 2.231 -4.334 4.718) 6.784 3.184 ( -0.615 -6.068 6.329) 8.789 3.226 ( 4.195 -6.588 -1.196) 7.901 3.325 ( -4.024 -9.048 -5.094) 11.135 3.532 ( 5.081 0.327 1.481) 5.302 3.588 ( 4.159 -0.536 -3.391) 5.393 3.680 ( -7.177 -0.432 0.153) 7.192 3.725 ( -7.352 -1.056 -3.292) 8.124 4.276 ( 4.242 12.938 0.717) 13.634 4.281 ( 4.748 12.830 0.147) 13.681 4.405 ( -2.505 12.672 2.592) 13.175 4.427 ( -3.722 12.409 0.360) 12.960 5.710 ( 1.997 4.587 -0.086) 5.004 5.715 ( 1.836 4.921 -0.454) 5.272 5.795 ( -0.886 4.612 1.457) 4.918 5.825 ( -3.536 5.189 -1.309) 6.414 5.894 ( 2.785 0.216 1.757) 3.300 5.926 ( 3.511 -0.394 -0.639) 3.591 5.952 ( -0.871 1.415 2.195) 2.752 6.016 ( -3.539 0.285 -3.225) 4.797 6.614 ( 2.006 1.321 2.359) 3.367 6.636 ( 0.058 1.588 1.638) 2.282 6.671 ( 1.409 0.880 -2.491) 2.994 6.688 ( -0.133 1.639 -2.810) 3.256 7.070 ( -1.959 -1.677 2.918) 3.894 7.082 ( -3.889 -1.957 2.230) 4.892 7.154 ( 1.865 -0.898 0.928) 2.268 7.189 ( 0.735 -3.994 -1.588) 4.361 7.281 ( -0.956 1.440 0.674) 1.855 7.365 ( -6.848 -1.369 -6.356) 9.443 7.500 ( 1.043 -2.924 1.263) 3.351 7.517 ( -0.796 -2.179 -0.192) 2.328 7.808 ( 3.389 3.954 -0.461) 5.228 7.832 ( 1.087 3.694 -2.529) 4.607 8.200 ( 6.254 -7.043 3.185) 9.943 8.241 ( 3.152 -7.105 -0.908) 7.825 8.371 ( 2.814 4.374 1.602) 5.442 8.394 ( 1.035 4.702 -0.766) 4.875 8.507 ( -5.907 2.084 1.834) 6.527 8.536 ( -7.149 1.676 -1.092) 7.424 8.986 ( 1.650 2.883 0.950) 3.455 9.001 ( 0.068 2.389 -0.184) 2.397 9.152 ( 2.589 -1.244 -0.111) 2.874 9.171 ( 0.670 -1.967 -1.776) 2.734 9.625 ( 1.349 0.688 2.597) 3.007 9.657 ( -1.247 -0.490 1.075) 1.718 9.702 ( 0.285 -0.923 -0.202) 0.987 9.746 ( -3.434 -2.339 -2.953) 5.098 ======================= Grid point 160 (61/63) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.000 1.172 1.712) 2.075 2.209 ( 0.000 -0.501 0.320) 0.595 2.255 ( 0.000 2.318 0.878) 2.479 2.276 ( 0.000 0.289 -1.713) 1.737 2.416 ( 0.000 3.958 0.819) 4.042 2.440 ( 0.000 1.568 -1.385) 2.092 2.664 ( 0.000 3.175 1.769) 3.635 2.685 ( 0.000 1.843 -0.180) 1.852 2.855 ( 0.000 2.212 0.328) 2.236 2.862 ( 0.000 1.698 -0.293) 1.723 2.944 ( 0.000 0.899 0.937) 1.299 2.952 ( 0.000 0.041 -0.133) 0.139 3.014 ( 0.000 -3.732 2.143) 4.304 3.044 ( 0.000 -5.731 -0.547) 5.757 3.213 ( 0.000 -0.431 -1.644) 1.699 3.220 ( 0.000 -0.678 -2.601) 2.688 3.529 ( 0.000 1.028 3.226) 3.386 3.551 ( 0.000 -1.266 1.172) 1.725 4.003 ( 0.000 2.275 -4.225) 4.799 4.005 ( 0.000 1.964 -4.312) 4.738 4.166 ( 0.000 3.433 1.691) 3.827 4.192 ( 0.000 0.860 -0.956) 1.286 4.688 ( 0.000 6.021 2.567) 6.546 4.701 ( 0.000 4.741 1.123) 4.873 5.682 ( 0.000 0.571 -0.512) 0.767 5.694 ( 0.000 -0.234 -1.599) 1.616 5.756 ( 0.000 0.034 -0.366) 0.368 5.761 ( 0.000 -0.793 -0.973) 1.256 5.977 ( 0.000 3.448 4.376) 5.571 6.008 ( 0.000 0.636 5.178) 5.217 6.060 ( 0.000 3.390 -3.482) 4.860 6.096 ( 0.000 0.041 -2.882) 2.882 6.616 ( 0.000 2.489 0.085) 2.491 6.648 ( 0.000 0.849 -2.603) 2.738 6.660 ( 0.000 -0.160 0.070) 0.175 6.679 ( 0.000 -0.503 -1.763) 1.833 7.124 ( 0.000 1.135 0.643) 1.304 7.128 ( 0.000 1.592 0.191) 1.603 7.212 ( 0.000 -2.430 1.822) 3.037 7.217 ( 0.000 -2.043 0.995) 2.273 7.380 ( 0.000 2.592 5.868) 6.415 7.441 ( 0.000 -2.440 3.811) 4.525 7.498 ( 0.000 2.624 -0.023) 2.624 7.583 ( 0.000 -4.784 -4.820) 6.791 7.763 ( 0.000 4.607 -2.746) 5.364 7.773 ( 0.000 2.030 -4.673) 5.095 7.859 ( 0.000 -4.341 0.972) 4.448 7.891 ( 0.000 -5.985 -1.710) 6.224 8.400 ( 0.000 2.492 2.245) 3.355 8.422 ( 0.000 0.398 0.188) 0.440 8.761 ( 0.000 0.877 -0.824) 1.203 8.762 ( 0.000 0.601 -1.136) 1.285 8.985 ( 0.000 -0.048 2.710) 2.710 8.986 ( 0.000 0.252 2.550) 2.562 9.027 ( 0.000 -0.107 -0.889) 0.896 9.032 ( 0.000 -0.971 -1.433) 1.731 9.663 ( 0.000 2.007 0.694) 2.124 9.680 ( 0.000 0.189 -0.953) 0.972 9.749 ( 0.000 0.527 1.389) 1.486 9.780 ( 0.000 -2.451 -1.757) 3.015 ======================= Grid point 161 (62/63) ======================= q-point: ( 0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.573 1.474 1.359) 2.085 2.218 ( 0.838 -0.436 -0.432) 1.038 2.259 ( -0.195 2.879 1.676) 3.337 2.286 ( 0.133 0.450 -1.176) 1.267 2.475 ( 6.401 3.066 0.265) 7.102 2.488 ( 5.412 1.694 -1.004) 5.759 2.679 ( 1.435 3.111 1.410) 3.704 2.694 ( 0.910 2.113 -0.117) 2.304 2.861 ( 0.655 3.495 0.803) 3.646 2.874 ( 1.083 2.107 -0.344) 2.394 2.934 ( -1.047 0.964 1.634) 2.167 2.962 ( 0.119 0.798 -1.403) 1.618 3.009 ( 0.154 -4.401 2.906) 5.276 3.053 ( 0.726 -6.101 -1.187) 6.258 3.172 ( -3.724 0.452 0.036) 3.751 3.210 ( -1.898 -3.540 -3.189) 5.128 3.521 ( -0.167 0.958 2.399) 2.588 3.540 ( -0.298 -0.910 0.841) 1.274 3.867 ( -9.648 1.500 -2.836) 10.168 3.879 ( -9.173 0.316 -3.822) 9.942 4.298 ( 9.089 3.924 0.314) 9.905 4.309 ( 8.389 2.861 -0.775) 8.897 4.663 ( -2.615 5.854 2.366) 6.834 4.676 ( -2.696 4.637 1.006) 5.457 5.715 ( 3.277 1.474 -0.597) 3.642 5.721 ( 2.879 0.935 -1.218) 3.262 5.785 ( 3.006 -0.454 -0.187) 3.046 5.794 ( 3.258 -1.421 -1.102) 3.721 5.960 ( -1.826 3.660 3.574) 5.432 5.999 ( -1.204 0.400 4.613) 4.784 6.024 ( -3.491 3.559 -2.766) 5.701 6.072 ( -2.584 -0.824 -2.506) 3.693 6.619 ( 0.461 1.951 0.233) 2.018 6.641 ( -0.188 0.239 -1.719) 1.745 6.671 ( 0.994 0.694 0.175) 1.225 6.691 ( 0.839 -0.714 -1.850) 2.154 7.110 ( -1.648 1.081 1.049) 2.233 7.122 ( -0.843 -0.289 -0.170) 0.907 7.169 ( -3.790 -0.420 1.509) 4.101 7.178 ( -3.780 -1.089 0.704) 3.996 7.358 ( -2.018 1.786 4.264) 5.044 7.415 ( -1.300 -3.702 3.540) 5.284 7.458 ( -3.264 1.423 -3.909) 5.288 7.507 ( -5.081 -3.388 -4.320) 7.480 7.810 ( 5.009 4.558 -0.298) 6.779 7.847 ( 5.804 4.086 -3.527) 7.926 7.936 ( 6.536 -4.866 2.867) 8.639 7.988 ( 7.017 -6.459 -2.133) 9.773 8.410 ( 1.001 2.447 2.355) 3.541 8.430 ( 0.744 0.585 0.565) 1.103 8.675 ( -6.928 1.160 -0.100) 7.026 8.689 ( -6.724 -0.146 -1.400) 6.870 9.002 ( 2.494 2.406 1.731) 3.873 9.026 ( 1.132 0.990 -0.017) 1.504 9.054 ( 3.908 -1.155 0.590) 4.118 9.075 ( 2.897 -2.410 -0.815) 3.855 9.656 ( -0.562 1.859 0.701) 2.065 9.673 ( -0.644 0.157 -0.872) 1.096 9.726 ( -2.156 0.367 1.253) 2.520 9.755 ( -2.434 -2.338 -1.633) 3.749 ======================= Grid point 162 (63/63) ======================= q-point: ( 0.40 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 1.161 2.144 1.469) 2.847 2.237 ( 0.306 0.987 0.164) 1.047 2.243 ( -0.326 1.572 0.665) 1.738 2.269 ( -1.510 0.143 -1.050) 1.845 2.611 ( 5.481 4.109 0.137) 6.852 2.621 ( 5.726 3.853 -0.734) 6.940 2.707 ( 1.703 0.453 1.075) 2.064 2.723 ( 1.819 -0.404 -0.287) 1.886 2.875 ( 0.387 5.689 1.516) 5.900 2.889 ( -0.414 4.897 0.685) 4.962 2.906 ( -0.728 2.705 0.678) 2.882 2.935 ( -2.460 5.064 -2.060) 5.995 3.030 ( 1.552 -5.861 2.620) 6.606 3.076 ( 2.177 -7.181 -1.581) 7.669 3.084 ( -4.417 -2.597 2.969) 5.922 3.145 ( -4.343 -7.524 -2.480) 9.035 3.555 ( 4.380 1.364 0.350) 4.601 3.577 ( 4.448 -0.759 -1.554) 4.772 3.688 ( -8.577 0.886 -1.750) 8.798 3.707 ( -8.301 -0.882 -3.101) 8.905 4.460 ( 7.398 4.934 0.528) 8.908 4.464 ( 7.531 4.640 0.136) 8.846 4.589 ( -5.042 5.022 1.678) 7.312 4.598 ( -5.343 4.148 0.682) 6.798 5.791 ( 4.262 3.290 -0.058) 5.384 5.801 ( 4.795 3.221 -1.039) 5.869 5.855 ( 2.947 -0.211 0.141) 2.958 5.862 ( 1.941 -0.776 -0.567) 2.165 5.921 ( -0.191 1.376 0.906) 1.659 5.940 ( -4.051 3.763 -0.651) 5.567 5.958 ( -3.141 -1.070 2.325) 4.052 5.999 ( -4.789 -1.938 -1.464) 5.370 6.642 ( 1.886 1.491 0.736) 2.514 6.655 ( 1.233 0.585 -0.437) 1.433 6.683 ( 0.090 0.055 0.316) 0.333 6.696 ( -0.647 -0.812 -0.861) 1.348 7.066 ( -1.932 1.265 1.126) 2.569 7.077 ( -2.994 1.324 0.349) 3.292 7.114 ( -1.038 -3.069 -0.071) 3.241 7.121 ( -1.752 -2.374 -0.331) 2.969 7.334 ( 0.410 3.705 0.187) 3.733 7.377 ( -3.876 2.577 -3.877) 6.058 7.421 ( 1.264 -4.493 0.618) 4.708 7.450 ( -1.788 -4.030 -2.081) 4.875 7.912 ( 4.454 6.104 1.356) 7.677 7.938 ( 2.274 6.327 -0.957) 6.791 8.053 ( 4.894 -7.052 2.812) 9.033 8.087 ( 2.111 -7.546 -0.382) 7.845 8.443 ( 2.816 2.355 1.479) 3.958 8.457 ( 2.490 1.220 0.233) 2.783 8.539 ( -6.317 1.181 0.208) 6.430 8.554 ( -6.543 -0.043 -1.086) 6.632 9.048 ( 1.740 3.123 0.476) 3.607 9.053 ( 1.125 2.663 0.108) 2.893 9.111 ( 1.723 -2.488 -0.041) 3.026 9.117 ( 1.079 -3.062 -0.545) 3.292 9.650 ( 0.217 1.467 0.726) 1.651 9.663 ( -0.463 0.626 -0.272) 0.825 9.685 ( -1.241 -0.619 0.365) 1.434 9.703 ( -2.446 -1.889 -1.218) 3.322 =================== 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 3/19500 10.0 1835.007 2448.536 1849.385 0.000 0.000 -0.000 3/19500 20.0 313.942 448.829 293.698 0.000 0.000 -0.000 3/19500 30.0 121.982 182.378 113.324 0.000 0.000 -0.000 3/19500 40.0 68.093 103.443 62.103 0.000 0.000 -0.000 3/19500 50.0 44.060 67.366 39.583 0.000 0.000 -0.000 3/19500 60.0 31.002 47.641 27.579 0.000 0.000 -0.000 3/19500 70.0 23.183 35.789 20.493 0.000 0.000 -0.000 3/19500 80.0 18.184 28.181 16.004 0.000 0.000 -0.000 3/19500 90.0 14.812 23.029 12.996 0.000 0.000 -0.000 3/19500 100.0 12.433 19.378 10.883 0.000 0.000 -0.000 3/19500 110.0 10.688 16.689 9.337 0.000 0.000 -0.000 3/19500 120.0 9.364 14.643 8.167 0.000 0.000 -0.000 3/19500 130.0 8.330 13.042 7.256 0.000 0.000 -0.000 3/19500 140.0 7.504 11.759 6.530 0.000 0.000 -0.000 3/19500 150.0 6.830 10.709 5.937 0.000 0.000 -0.000 3/19500 160.0 6.269 9.836 5.446 0.000 0.000 -0.000 3/19500 170.0 5.797 9.098 5.031 0.000 0.000 -0.000 3/19500 180.0 5.393 8.466 4.678 0.000 0.000 -0.000 3/19500 190.0 5.043 7.920 4.372 0.000 0.000 -0.000 3/19500 200.0 4.738 7.442 4.106 0.000 0.000 -0.000 3/19500 210.0 4.469 7.021 3.871 0.000 0.000 -0.000 3/19500 220.0 4.230 6.646 3.663 0.000 0.000 -0.000 3/19500 230.0 4.016 6.311 3.476 0.000 0.000 -0.000 3/19500 240.0 3.824 6.009 3.309 0.000 0.000 -0.000 3/19500 250.0 3.650 5.736 3.157 0.000 0.000 -0.000 3/19500 260.0 3.491 5.488 3.020 0.000 0.000 -0.000 3/19500 270.0 3.347 5.261 2.894 0.000 0.000 -0.000 3/19500 280.0 3.214 5.052 2.779 0.000 0.000 -0.000 3/19500 290.0 3.092 4.860 2.672 0.000 0.000 -0.000 3/19500 300.0 2.979 4.683 2.574 0.000 0.000 -0.000 3/19500 310.0 2.874 4.518 2.483 0.000 0.000 -0.000 3/19500 320.0 2.776 4.365 2.399 0.000 0.000 -0.000 3/19500 330.0 2.685 4.222 2.320 0.000 0.000 -0.000 3/19500 340.0 2.600 4.089 2.246 0.000 0.000 -0.000 3/19500 350.0 2.521 3.963 2.177 0.000 0.000 -0.000 3/19500 360.0 2.446 3.846 2.113 0.000 0.000 -0.000 3/19500 370.0 2.376 3.736 2.052 0.000 0.000 -0.000 3/19500 380.0 2.309 3.631 1.994 0.000 0.000 -0.000 3/19500 390.0 2.247 3.533 1.940 0.000 0.000 -0.000 3/19500 400.0 2.188 3.440 1.889 0.000 0.000 -0.000 3/19500 410.0 2.131 3.352 1.840 0.000 0.000 -0.000 3/19500 420.0 2.078 3.268 1.794 0.000 0.000 -0.000 3/19500 430.0 2.028 3.188 1.750 0.000 0.000 -0.000 3/19500 440.0 1.979 3.113 1.709 0.000 0.000 -0.000 3/19500 450.0 1.934 3.040 1.669 0.000 0.000 -0.000 3/19500 460.0 1.890 2.972 1.631 0.000 0.000 -0.000 3/19500 470.0 1.848 2.906 1.595 0.000 0.000 -0.000 3/19500 480.0 1.808 2.843 1.561 0.000 0.000 -0.000 3/19500 490.0 1.770 2.783 1.527 0.000 0.000 -0.000 3/19500 500.0 1.733 2.725 1.496 0.000 0.000 -0.000 3/19500 510.0 1.698 2.670 1.465 0.000 0.000 -0.000 3/19500 520.0 1.664 2.617 1.436 0.000 0.000 -0.000 3/19500 530.0 1.632 2.566 1.408 0.000 0.000 -0.000 3/19500 540.0 1.601 2.517 1.381 0.000 0.000 -0.000 3/19500 550.0 1.571 2.470 1.356 0.000 0.000 -0.000 3/19500 560.0 1.542 2.425 1.331 0.000 0.000 -0.000 3/19500 570.0 1.514 2.381 1.307 0.000 0.000 -0.000 3/19500 580.0 1.488 2.339 1.284 0.000 0.000 -0.000 3/19500 590.0 1.462 2.299 1.261 0.000 0.000 -0.000 3/19500 600.0 1.437 2.259 1.240 0.000 0.000 -0.000 3/19500 610.0 1.413 2.222 1.219 0.000 0.000 -0.000 3/19500 620.0 1.389 2.185 1.199 0.000 0.000 -0.000 3/19500 630.0 1.367 2.149 1.179 0.000 0.000 -0.000 3/19500 640.0 1.345 2.115 1.160 0.000 0.000 -0.000 3/19500 650.0 1.324 2.082 1.142 0.000 0.000 -0.000 3/19500 660.0 1.304 2.050 1.125 0.000 0.000 -0.000 3/19500 670.0 1.284 2.019 1.107 0.000 0.000 -0.000 3/19500 680.0 1.264 1.988 1.091 0.000 0.000 -0.000 3/19500 690.0 1.246 1.959 1.075 0.000 0.000 -0.000 3/19500 700.0 1.228 1.931 1.059 0.000 0.000 -0.000 3/19500 710.0 1.210 1.903 1.044 0.000 0.000 -0.000 3/19500 720.0 1.193 1.876 1.029 0.000 0.000 -0.000 3/19500 730.0 1.176 1.850 1.015 0.000 0.000 -0.000 3/19500 740.0 1.160 1.825 1.001 0.000 0.000 -0.000 3/19500 750.0 1.145 1.800 0.987 0.000 0.000 -0.000 3/19500 760.0 1.129 1.776 0.974 0.000 0.000 -0.000 3/19500 770.0 1.114 1.753 0.961 0.000 0.000 -0.000 3/19500 780.0 1.100 1.730 0.949 0.000 0.000 -0.000 3/19500 790.0 1.086 1.708 0.937 0.000 0.000 -0.000 3/19500 800.0 1.072 1.686 0.925 0.000 0.000 -0.000 3/19500 810.0 1.059 1.665 0.913 0.000 0.000 -0.000 3/19500 820.0 1.046 1.644 0.902 0.000 0.000 -0.000 3/19500 830.0 1.033 1.624 0.891 0.000 0.000 -0.000 3/19500 840.0 1.020 1.605 0.880 0.000 0.000 -0.000 3/19500 850.0 1.008 1.586 0.870 0.000 0.000 -0.000 3/19500 860.0 0.996 1.567 0.859 0.000 0.000 -0.000 3/19500 870.0 0.985 1.549 0.849 0.000 0.000 -0.000 3/19500 880.0 0.974 1.531 0.840 0.000 0.000 -0.000 3/19500 890.0 0.962 1.514 0.830 0.000 0.000 -0.000 3/19500 900.0 0.952 1.497 0.821 0.000 0.000 -0.000 3/19500 910.0 0.941 1.480 0.812 0.000 0.000 -0.000 3/19500 920.0 0.931 1.464 0.803 0.000 0.000 -0.000 3/19500 930.0 0.921 1.448 0.794 0.000 0.000 -0.000 3/19500 940.0 0.911 1.432 0.786 0.000 0.000 -0.000 3/19500 950.0 0.901 1.417 0.777 0.000 0.000 -0.000 3/19500 960.0 0.892 1.402 0.769 0.000 0.000 -0.000 3/19500 970.0 0.882 1.388 0.761 0.000 0.000 -0.000 3/19500 980.0 0.873 1.373 0.753 0.000 0.000 -0.000 3/19500 990.0 0.864 1.359 0.745 0.000 0.000 -0.000 3/19500 1000.0 0.856 1.346 0.738 0.000 0.000 -0.000 3/19500 Thermal conductivity related properties were written into "kappa-m5135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:07:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|