----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:17:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.046199900009508 0.000000000000000 0.000000000000000 b 0.000000000000000 3.978903550000000 0.000000000000000 c -0.014835584724094 0.000000000000000 7.925685177201558 Atomic positions (fractional): *1 S 0.00192540284310 0.83900248530341 0.39062455428919 32.065 2 S 0.99807459715690 0.33900248530341 0.10937544571081 32.065 3 S 0.99807459715690 0.16099751469658 0.60937544571081 32.065 4 S 0.00192540284310 0.66099751469658 0.89062455428919 32.065 *5 S 0.63317631608055 0.24158726466564 0.87519305349866 32.065 6 S 0.36682368391946 0.74158726466564 0.62480694650134 32.065 7 S 0.36682368391946 0.75841273533436 0.12480694650134 32.065 8 S 0.63317631608055 0.25841273533436 0.37519305349866 32.065 *9 Nd 0.27476997511546 0.28488767537510 0.37089792076979 144.242 10 Nd 0.72523002488454 0.78488767537510 0.12910207923021 144.242 11 Nd 0.72523002488454 0.71511232462490 0.62910207923021 144.242 12 Nd 0.27476997511546 0.21511232462490 0.87089792076979 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.046199900009508 0.000000000000000 0.000000000000000 b 0.000000000000000 3.978903550000000 0.000000000000000 c -0.014835584724094 0.000000000000000 7.925685177201558 Atomic positions (fractional): *1 S 0.00192540284310 0.83900248530342 0.39062455428919 32.065 > 1 2 S 0.99807459715690 0.33900248530341 0.10937544571081 32.065 > 2 3 S 0.99807459715690 0.16099751469658 0.60937544571081 32.065 > 3 4 S 0.00192540284310 0.66099751469658 0.89062455428919 32.065 > 4 *5 S 0.63317631608055 0.24158726466564 0.87519305349866 32.065 > 5 6 S 0.36682368391946 0.74158726466564 0.62480694650134 32.065 > 6 7 S 0.36682368391946 0.75841273533436 0.12480694650134 32.065 > 7 8 S 0.63317631608055 0.25841273533436 0.37519305349866 32.065 > 8 *9 Nd 0.27476997511546 0.28488767537510 0.37089792076979 144.242 > 9 10 Nd 0.72523002488454 0.78488767537510 0.12910207923021 144.242 > 10 11 Nd 0.72523002488454 0.71511232462490 0.62910207923021 144.242 > 11 12 Nd 0.27476997511546 0.21511232462490 0.87089792076979 144.242 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.092399800019017 0.000000000000000 0.000000000000000 b 0.000000000000000 11.936710650000000 0.000000000000000 c -0.029671169448188 0.000000000000000 15.851370354403116 Atomic positions (fractional): *1 S 0.00096270142155 0.27966749510114 0.19531227714459 32.065 > 1 2 S 0.50096270142155 0.27966749510114 0.19531227714459 32.065 > 1 3 S 0.00096270142155 0.61300082843447 0.19531227714459 32.065 > 1 4 S 0.50096270142155 0.61300082843447 0.19531227714459 32.065 > 1 5 S 0.00096270142155 0.94633416176780 0.19531227714459 32.065 > 1 6 S 0.50096270142155 0.94633416176780 0.19531227714459 32.065 > 1 7 S 0.00096270142155 0.27966749510114 0.69531227714459 32.065 > 1 8 S 0.50096270142155 0.27966749510114 0.69531227714459 32.065 > 1 9 S 0.00096270142155 0.61300082843447 0.69531227714459 32.065 > 1 10 S 0.50096270142155 0.61300082843447 0.69531227714459 32.065 > 1 11 S 0.00096270142155 0.94633416176780 0.69531227714459 32.065 > 1 12 S 0.50096270142155 0.94633416176780 0.69531227714459 32.065 > 1 13 S 0.49903729857845 0.11300082843447 0.05468772285541 32.065 > 2 14 S 0.99903729857845 0.11300082843447 0.05468772285541 32.065 > 2 15 S 0.49903729857845 0.44633416176780 0.05468772285541 32.065 > 2 16 S 0.99903729857845 0.44633416176780 0.05468772285541 32.065 > 2 17 S 0.49903729857845 0.77966749510114 0.05468772285541 32.065 > 2 18 S 0.99903729857845 0.77966749510114 0.05468772285541 32.065 > 2 19 S 0.49903729857845 0.11300082843447 0.55468772285541 32.065 > 2 20 S 0.99903729857845 0.11300082843447 0.55468772285541 32.065 > 2 21 S 0.49903729857845 0.44633416176780 0.55468772285541 32.065 > 2 22 S 0.99903729857845 0.44633416176780 0.55468772285541 32.065 > 2 23 S 0.49903729857845 0.77966749510114 0.55468772285541 32.065 > 2 24 S 0.99903729857845 0.77966749510114 0.55468772285541 32.065 > 2 25 S 0.49903729857845 0.05366583823219 0.30468772285541 32.065 > 3 26 S 0.99903729857845 0.05366583823219 0.30468772285541 32.065 > 3 27 S 0.49903729857845 0.38699917156553 0.30468772285541 32.065 > 3 28 S 0.99903729857845 0.38699917156553 0.30468772285541 32.065 > 3 29 S 0.49903729857845 0.72033250489886 0.30468772285541 32.065 > 3 30 S 0.99903729857845 0.72033250489886 0.30468772285541 32.065 > 3 31 S 0.49903729857845 0.05366583823219 0.80468772285541 32.065 > 3 32 S 0.99903729857845 0.05366583823219 0.80468772285541 32.065 > 3 33 S 0.49903729857845 0.38699917156553 0.80468772285541 32.065 > 3 34 S 0.99903729857845 0.38699917156553 0.80468772285541 32.065 > 3 35 S 0.49903729857845 0.72033250489886 0.80468772285541 32.065 > 3 36 S 0.99903729857845 0.72033250489886 0.80468772285541 32.065 > 3 37 S 0.00096270142155 0.22033250489886 0.44531227714459 32.065 > 4 38 S 0.50096270142155 0.22033250489886 0.44531227714459 32.065 > 4 39 S 0.00096270142155 0.55366583823219 0.44531227714459 32.065 > 4 40 S 0.50096270142155 0.55366583823219 0.44531227714459 32.065 > 4 41 S 0.00096270142155 0.88699917156553 0.44531227714459 32.065 > 4 42 S 0.50096270142155 0.88699917156553 0.44531227714459 32.065 > 4 43 S 0.00096270142155 0.22033250489886 0.94531227714459 32.065 > 4 44 S 0.50096270142155 0.22033250489886 0.94531227714459 32.065 > 4 45 S 0.00096270142155 0.55366583823219 0.94531227714459 32.065 > 4 46 S 0.50096270142155 0.55366583823219 0.94531227714459 32.065 > 4 47 S 0.00096270142155 0.88699917156553 0.94531227714459 32.065 > 4 48 S 0.50096270142155 0.88699917156553 0.94531227714459 32.065 > 4 *49 S 0.31658815804027 0.08052908822188 0.43759652674933 32.065 > 5 50 S 0.81658815804027 0.08052908822188 0.43759652674933 32.065 > 5 51 S 0.31658815804027 0.41386242155521 0.43759652674933 32.065 > 5 52 S 0.81658815804027 0.41386242155521 0.43759652674933 32.065 > 5 53 S 0.31658815804027 0.74719575488855 0.43759652674933 32.065 > 5 54 S 0.81658815804027 0.74719575488855 0.43759652674933 32.065 > 5 55 S 0.31658815804027 0.08052908822188 0.93759652674933 32.065 > 5 56 S 0.81658815804027 0.08052908822188 0.93759652674933 32.065 > 5 57 S 0.31658815804027 0.41386242155521 0.93759652674933 32.065 > 5 58 S 0.81658815804027 0.41386242155521 0.93759652674933 32.065 > 5 59 S 0.31658815804027 0.74719575488855 0.93759652674933 32.065 > 5 60 S 0.81658815804027 0.74719575488855 0.93759652674933 32.065 > 5 61 S 0.18341184195973 0.24719575488855 0.31240347325067 32.065 > 6 62 S 0.68341184195973 0.24719575488855 0.31240347325067 32.065 > 6 63 S 0.18341184195973 0.58052908822188 0.31240347325067 32.065 > 6 64 S 0.68341184195973 0.58052908822188 0.31240347325067 32.065 > 6 65 S 0.18341184195973 0.91386242155521 0.31240347325067 32.065 > 6 66 S 0.68341184195973 0.91386242155521 0.31240347325067 32.065 > 6 67 S 0.18341184195973 0.24719575488855 0.81240347325067 32.065 > 6 68 S 0.68341184195973 0.24719575488855 0.81240347325067 32.065 > 6 69 S 0.18341184195973 0.58052908822188 0.81240347325067 32.065 > 6 70 S 0.68341184195973 0.58052908822188 0.81240347325067 32.065 > 6 71 S 0.18341184195973 0.91386242155521 0.81240347325067 32.065 > 6 72 S 0.68341184195973 0.91386242155521 0.81240347325067 32.065 > 6 73 S 0.18341184195973 0.25280424511145 0.06240347325067 32.065 > 7 74 S 0.68341184195973 0.25280424511145 0.06240347325067 32.065 > 7 75 S 0.18341184195973 0.58613757844479 0.06240347325067 32.065 > 7 76 S 0.68341184195973 0.58613757844479 0.06240347325067 32.065 > 7 77 S 0.18341184195973 0.91947091177812 0.06240347325067 32.065 > 7 78 S 0.68341184195973 0.91947091177812 0.06240347325067 32.065 > 7 79 S 0.18341184195973 0.25280424511145 0.56240347325067 32.065 > 7 80 S 0.68341184195973 0.25280424511145 0.56240347325067 32.065 > 7 81 S 0.18341184195973 0.58613757844479 0.56240347325067 32.065 > 7 82 S 0.68341184195973 0.58613757844479 0.56240347325067 32.065 > 7 83 S 0.18341184195973 0.91947091177812 0.56240347325067 32.065 > 7 84 S 0.68341184195973 0.91947091177812 0.56240347325067 32.065 > 7 85 S 0.31658815804027 0.08613757844479 0.18759652674933 32.065 > 8 86 S 0.81658815804027 0.08613757844479 0.18759652674933 32.065 > 8 87 S 0.31658815804027 0.41947091177812 0.18759652674933 32.065 > 8 88 S 0.81658815804027 0.41947091177812 0.18759652674933 32.065 > 8 89 S 0.31658815804027 0.75280424511145 0.18759652674933 32.065 > 8 90 S 0.81658815804027 0.75280424511145 0.18759652674933 32.065 > 8 91 S 0.31658815804027 0.08613757844479 0.68759652674933 32.065 > 8 92 S 0.81658815804027 0.08613757844479 0.68759652674933 32.065 > 8 93 S 0.31658815804027 0.41947091177812 0.68759652674933 32.065 > 8 94 S 0.81658815804027 0.41947091177812 0.68759652674933 32.065 > 8 95 S 0.31658815804027 0.75280424511145 0.68759652674933 32.065 > 8 96 S 0.81658815804027 0.75280424511145 0.68759652674933 32.065 > 8 *97 Nd 0.13738498755773 0.09496255845837 0.18544896038490 144.242 > 9 98 Nd 0.63738498755773 0.09496255845837 0.18544896038490 144.242 > 9 99 Nd 0.13738498755773 0.42829589179170 0.18544896038490 144.242 > 9 100 Nd 0.63738498755773 0.42829589179170 0.18544896038490 144.242 > 9 101 Nd 0.13738498755773 0.76162922512503 0.18544896038490 144.242 > 9 102 Nd 0.63738498755773 0.76162922512503 0.18544896038490 144.242 > 9 103 Nd 0.13738498755773 0.09496255845837 0.68544896038490 144.242 > 9 104 Nd 0.63738498755773 0.09496255845837 0.68544896038490 144.242 > 9 105 Nd 0.13738498755773 0.42829589179170 0.68544896038490 144.242 > 9 106 Nd 0.63738498755773 0.42829589179170 0.68544896038490 144.242 > 9 107 Nd 0.13738498755773 0.76162922512503 0.68544896038490 144.242 > 9 108 Nd 0.63738498755773 0.76162922512503 0.68544896038490 144.242 > 9 109 Nd 0.36261501244227 0.26162922512503 0.06455103961510 144.242 > 10 110 Nd 0.86261501244227 0.26162922512503 0.06455103961510 144.242 > 10 111 Nd 0.36261501244227 0.59496255845837 0.06455103961510 144.242 > 10 112 Nd 0.86261501244227 0.59496255845837 0.06455103961510 144.242 > 10 113 Nd 0.36261501244227 0.92829589179170 0.06455103961510 144.242 > 10 114 Nd 0.86261501244227 0.92829589179170 0.06455103961510 144.242 > 10 115 Nd 0.36261501244227 0.26162922512503 0.56455103961510 144.242 > 10 116 Nd 0.86261501244227 0.26162922512503 0.56455103961510 144.242 > 10 117 Nd 0.36261501244227 0.59496255845837 0.56455103961510 144.242 > 10 118 Nd 0.86261501244227 0.59496255845837 0.56455103961510 144.242 > 10 119 Nd 0.36261501244227 0.92829589179170 0.56455103961510 144.242 > 10 120 Nd 0.86261501244227 0.92829589179170 0.56455103961510 144.242 > 10 121 Nd 0.36261501244227 0.23837077487497 0.31455103961510 144.242 > 11 122 Nd 0.86261501244227 0.23837077487497 0.31455103961510 144.242 > 11 123 Nd 0.36261501244227 0.57170410820830 0.31455103961510 144.242 > 11 124 Nd 0.86261501244227 0.57170410820830 0.31455103961510 144.242 > 11 125 Nd 0.36261501244227 0.90503744154163 0.31455103961510 144.242 > 11 126 Nd 0.86261501244227 0.90503744154163 0.31455103961510 144.242 > 11 127 Nd 0.36261501244227 0.23837077487497 0.81455103961510 144.242 > 11 128 Nd 0.86261501244227 0.23837077487497 0.81455103961510 144.242 > 11 129 Nd 0.36261501244227 0.57170410820830 0.81455103961510 144.242 > 11 130 Nd 0.86261501244227 0.57170410820830 0.81455103961510 144.242 > 11 131 Nd 0.36261501244227 0.90503744154163 0.81455103961510 144.242 > 11 132 Nd 0.86261501244227 0.90503744154163 0.81455103961510 144.242 > 11 133 Nd 0.13738498755773 0.07170410820830 0.43544896038490 144.242 > 12 134 Nd 0.63738498755773 0.07170410820830 0.43544896038490 144.242 > 12 135 Nd 0.13738498755773 0.40503744154163 0.43544896038490 144.242 > 12 136 Nd 0.63738498755773 0.40503744154163 0.43544896038490 144.242 > 12 137 Nd 0.13738498755773 0.73837077487497 0.43544896038490 144.242 > 12 138 Nd 0.63738498755773 0.73837077487497 0.43544896038490 144.242 > 12 139 Nd 0.13738498755773 0.07170410820830 0.93544896038490 144.242 > 12 140 Nd 0.63738498755773 0.07170410820830 0.93544896038490 144.242 > 12 141 Nd 0.13738498755773 0.40503744154163 0.93544896038490 144.242 > 12 142 Nd 0.63738498755773 0.40503744154163 0.93544896038490 144.242 > 12 143 Nd 0.13738498755773 0.73837077487497 0.93544896038490 144.242 > 12 144 Nd 0.63738498755773 0.73837077487497 0.93544896038490 144.242 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7087882 0.0000000 -0.0853476 0.0000000 10.3506649 0.0000000 -0.0853489 0.0000000 12.2845879 -------------------------- Born effective charges -------------------------- 1 S -1.9779454 -0.3275343 0.1090154 -0.3166729 -1.1763826 1.1435666 0.0688381 1.4387705 -1.1283005 2 S -1.9779454 0.3275343 0.1090154 0.3166729 -1.1763826 -1.1435666 0.0688381 -1.4387705 -1.1283005 3 S -1.9779454 -0.3275343 0.1090154 -0.3166729 -1.1763826 1.1435666 0.0688381 1.4387705 -1.1283005 4 S -1.9779454 0.3275343 0.1090154 0.3166729 -1.1763826 -1.1435666 0.0688381 -1.4387705 -1.1283005 5 S -2.2163769 -0.0494570 0.0403345 0.0969534 -2.8847247 0.1530857 0.0638141 0.2356521 -2.9428309 6 S -2.2163769 0.0494570 0.0403345 -0.0969534 -2.8847247 -0.1530857 0.0638141 -0.2356521 -2.9428309 7 S -2.2163769 -0.0494570 0.0403345 0.0969534 -2.8847247 0.1530857 0.0638141 0.2356521 -2.9428309 8 S -2.2163769 0.0494570 0.0403345 -0.0969534 -2.8847247 -0.1530857 0.0638141 -0.2356521 -2.9428309 9 Nd 4.1943223 0.3880135 -0.1493499 0.1917900 4.0611073 -0.3442684 -0.1326521 -0.0084144 4.0711314 10 Nd 4.1943223 -0.3880135 -0.1493499 -0.1917900 4.0611073 0.3442684 -0.1326521 0.0084144 4.0711314 11 Nd 4.1943223 0.3880135 -0.1493499 0.1917900 4.0611073 -0.3442684 -0.1326521 -0.0084144 4.0711314 12 Nd 4.1943223 -0.3880135 -0.1493499 -0.1917900 4.0611073 0.3442684 -0.1326521 0.0084144 4.0711314 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 4.608 Solver_block: 200 / 400 - Time: 4.661 Solver_block: 300 / 400 - Time: 4.702 Solver_block: 400 / 400 - Time: 4.704 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.732 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:18:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:18:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.046199900009508 0.000000000000000 0.000000000000000 b 0.000000000000000 3.978903550000000 0.000000000000000 c -0.014835584724094 0.000000000000000 7.925685177201558 Atomic positions (fractional): 1 S 0.00192540284310 0.83900248530341 0.39062455428919 32.065 2 S 0.99807459715690 0.33900248530341 0.10937544571081 32.065 3 S 0.99807459715690 0.16099751469658 0.60937544571081 32.065 4 S 0.00192540284310 0.66099751469658 0.89062455428919 32.065 5 S 0.63317631608055 0.24158726466564 0.87519305349866 32.065 6 S 0.36682368391946 0.74158726466564 0.62480694650134 32.065 7 S 0.36682368391946 0.75841273533436 0.12480694650134 32.065 8 S 0.63317631608055 0.25841273533436 0.37519305349866 32.065 9 Nd 0.27476997511546 0.28488767537510 0.37089792076979 144.242 10 Nd 0.72523002488454 0.78488767537510 0.12910207923021 144.242 11 Nd 0.72523002488454 0.71511232462490 0.62910207923021 144.242 12 Nd 0.27476997511546 0.21511232462490 0.87089792076979 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.092399800019017 0.000000000000000 0.000000000000000 b 0.000000000000000 11.936710650000000 0.000000000000000 c -0.029671169448188 0.000000000000000 15.851370354403116 Atomic positions (fractional): 1 S 0.00096270142155 0.27966749510114 0.19531227714459 32.065 > 1 2 S 0.50096270142155 0.27966749510114 0.19531227714459 32.065 > 1 3 S 0.00096270142155 0.61300082843447 0.19531227714459 32.065 > 1 4 S 0.50096270142155 0.61300082843447 0.19531227714459 32.065 > 1 5 S 0.00096270142155 0.94633416176780 0.19531227714459 32.065 > 1 6 S 0.50096270142155 0.94633416176780 0.19531227714459 32.065 > 1 7 S 0.00096270142155 0.27966749510114 0.69531227714459 32.065 > 1 8 S 0.50096270142155 0.27966749510114 0.69531227714459 32.065 > 1 9 S 0.00096270142155 0.61300082843447 0.69531227714459 32.065 > 1 10 S 0.50096270142155 0.61300082843447 0.69531227714459 32.065 > 1 11 S 0.00096270142155 0.94633416176780 0.69531227714459 32.065 > 1 12 S 0.50096270142155 0.94633416176780 0.69531227714459 32.065 > 1 13 S 0.49903729857845 0.11300082843447 0.05468772285541 32.065 > 13 14 S 0.99903729857845 0.11300082843447 0.05468772285541 32.065 > 13 15 S 0.49903729857845 0.44633416176780 0.05468772285541 32.065 > 13 16 S 0.99903729857845 0.44633416176780 0.05468772285541 32.065 > 13 17 S 0.49903729857845 0.77966749510114 0.05468772285541 32.065 > 13 18 S 0.99903729857845 0.77966749510114 0.05468772285541 32.065 > 13 19 S 0.49903729857845 0.11300082843447 0.55468772285541 32.065 > 13 20 S 0.99903729857845 0.11300082843447 0.55468772285541 32.065 > 13 21 S 0.49903729857845 0.44633416176780 0.55468772285541 32.065 > 13 22 S 0.99903729857845 0.44633416176780 0.55468772285541 32.065 > 13 23 S 0.49903729857845 0.77966749510114 0.55468772285541 32.065 > 13 24 S 0.99903729857845 0.77966749510114 0.55468772285541 32.065 > 13 25 S 0.49903729857845 0.05366583823219 0.30468772285541 32.065 > 25 26 S 0.99903729857845 0.05366583823219 0.30468772285541 32.065 > 25 27 S 0.49903729857845 0.38699917156553 0.30468772285541 32.065 > 25 28 S 0.99903729857845 0.38699917156553 0.30468772285541 32.065 > 25 29 S 0.49903729857845 0.72033250489886 0.30468772285541 32.065 > 25 30 S 0.99903729857845 0.72033250489886 0.30468772285541 32.065 > 25 31 S 0.49903729857845 0.05366583823219 0.80468772285541 32.065 > 25 32 S 0.99903729857845 0.05366583823219 0.80468772285541 32.065 > 25 33 S 0.49903729857845 0.38699917156553 0.80468772285541 32.065 > 25 34 S 0.99903729857845 0.38699917156553 0.80468772285541 32.065 > 25 35 S 0.49903729857845 0.72033250489886 0.80468772285541 32.065 > 25 36 S 0.99903729857845 0.72033250489886 0.80468772285541 32.065 > 25 37 S 0.00096270142155 0.22033250489886 0.44531227714459 32.065 > 37 38 S 0.50096270142155 0.22033250489886 0.44531227714459 32.065 > 37 39 S 0.00096270142155 0.55366583823219 0.44531227714459 32.065 > 37 40 S 0.50096270142155 0.55366583823219 0.44531227714459 32.065 > 37 41 S 0.00096270142155 0.88699917156553 0.44531227714459 32.065 > 37 42 S 0.50096270142155 0.88699917156553 0.44531227714459 32.065 > 37 43 S 0.00096270142155 0.22033250489886 0.94531227714459 32.065 > 37 44 S 0.50096270142155 0.22033250489886 0.94531227714459 32.065 > 37 45 S 0.00096270142155 0.55366583823219 0.94531227714459 32.065 > 37 46 S 0.50096270142155 0.55366583823219 0.94531227714459 32.065 > 37 47 S 0.00096270142155 0.88699917156553 0.94531227714459 32.065 > 37 48 S 0.50096270142155 0.88699917156553 0.94531227714459 32.065 > 37 49 S 0.31658815804027 0.08052908822188 0.43759652674933 32.065 > 49 50 S 0.81658815804027 0.08052908822188 0.43759652674933 32.065 > 49 51 S 0.31658815804027 0.41386242155521 0.43759652674933 32.065 > 49 52 S 0.81658815804027 0.41386242155521 0.43759652674933 32.065 > 49 53 S 0.31658815804027 0.74719575488855 0.43759652674933 32.065 > 49 54 S 0.81658815804027 0.74719575488855 0.43759652674933 32.065 > 49 55 S 0.31658815804027 0.08052908822188 0.93759652674933 32.065 > 49 56 S 0.81658815804027 0.08052908822188 0.93759652674933 32.065 > 49 57 S 0.31658815804027 0.41386242155521 0.93759652674933 32.065 > 49 58 S 0.81658815804027 0.41386242155521 0.93759652674933 32.065 > 49 59 S 0.31658815804027 0.74719575488855 0.93759652674933 32.065 > 49 60 S 0.81658815804027 0.74719575488855 0.93759652674933 32.065 > 49 61 S 0.18341184195973 0.24719575488855 0.31240347325067 32.065 > 61 62 S 0.68341184195973 0.24719575488855 0.31240347325067 32.065 > 61 63 S 0.18341184195973 0.58052908822188 0.31240347325067 32.065 > 61 64 S 0.68341184195973 0.58052908822188 0.31240347325067 32.065 > 61 65 S 0.18341184195973 0.91386242155521 0.31240347325067 32.065 > 61 66 S 0.68341184195973 0.91386242155521 0.31240347325067 32.065 > 61 67 S 0.18341184195973 0.24719575488855 0.81240347325067 32.065 > 61 68 S 0.68341184195973 0.24719575488855 0.81240347325067 32.065 > 61 69 S 0.18341184195973 0.58052908822188 0.81240347325067 32.065 > 61 70 S 0.68341184195973 0.58052908822188 0.81240347325067 32.065 > 61 71 S 0.18341184195973 0.91386242155521 0.81240347325067 32.065 > 61 72 S 0.68341184195973 0.91386242155521 0.81240347325067 32.065 > 61 73 S 0.18341184195973 0.25280424511145 0.06240347325067 32.065 > 73 74 S 0.68341184195973 0.25280424511145 0.06240347325067 32.065 > 73 75 S 0.18341184195973 0.58613757844479 0.06240347325067 32.065 > 73 76 S 0.68341184195973 0.58613757844479 0.06240347325067 32.065 > 73 77 S 0.18341184195973 0.91947091177812 0.06240347325067 32.065 > 73 78 S 0.68341184195973 0.91947091177812 0.06240347325067 32.065 > 73 79 S 0.18341184195973 0.25280424511145 0.56240347325067 32.065 > 73 80 S 0.68341184195973 0.25280424511145 0.56240347325067 32.065 > 73 81 S 0.18341184195973 0.58613757844479 0.56240347325067 32.065 > 73 82 S 0.68341184195973 0.58613757844479 0.56240347325067 32.065 > 73 83 S 0.18341184195973 0.91947091177812 0.56240347325067 32.065 > 73 84 S 0.68341184195973 0.91947091177812 0.56240347325067 32.065 > 73 85 S 0.31658815804027 0.08613757844479 0.18759652674933 32.065 > 85 86 S 0.81658815804027 0.08613757844479 0.18759652674933 32.065 > 85 87 S 0.31658815804027 0.41947091177812 0.18759652674933 32.065 > 85 88 S 0.81658815804027 0.41947091177812 0.18759652674933 32.065 > 85 89 S 0.31658815804027 0.75280424511145 0.18759652674933 32.065 > 85 90 S 0.81658815804027 0.75280424511145 0.18759652674933 32.065 > 85 91 S 0.31658815804027 0.08613757844479 0.68759652674933 32.065 > 85 92 S 0.81658815804027 0.08613757844479 0.68759652674933 32.065 > 85 93 S 0.31658815804027 0.41947091177812 0.68759652674933 32.065 > 85 94 S 0.81658815804027 0.41947091177812 0.68759652674933 32.065 > 85 95 S 0.31658815804027 0.75280424511145 0.68759652674933 32.065 > 85 96 S 0.81658815804027 0.75280424511145 0.68759652674933 32.065 > 85 97 Nd 0.13738498755773 0.09496255845837 0.18544896038490 144.242 > 97 98 Nd 0.63738498755773 0.09496255845837 0.18544896038490 144.242 > 97 99 Nd 0.13738498755773 0.42829589179170 0.18544896038490 144.242 > 97 100 Nd 0.63738498755773 0.42829589179170 0.18544896038490 144.242 > 97 101 Nd 0.13738498755773 0.76162922512503 0.18544896038490 144.242 > 97 102 Nd 0.63738498755773 0.76162922512503 0.18544896038490 144.242 > 97 103 Nd 0.13738498755773 0.09496255845837 0.68544896038490 144.242 > 97 104 Nd 0.63738498755773 0.09496255845837 0.68544896038490 144.242 > 97 105 Nd 0.13738498755773 0.42829589179170 0.68544896038490 144.242 > 97 106 Nd 0.63738498755773 0.42829589179170 0.68544896038490 144.242 > 97 107 Nd 0.13738498755773 0.76162922512503 0.68544896038490 144.242 > 97 108 Nd 0.63738498755773 0.76162922512503 0.68544896038490 144.242 > 97 109 Nd 0.36261501244227 0.26162922512503 0.06455103961510 144.242 > 109 110 Nd 0.86261501244227 0.26162922512503 0.06455103961510 144.242 > 109 111 Nd 0.36261501244227 0.59496255845837 0.06455103961510 144.242 > 109 112 Nd 0.86261501244227 0.59496255845837 0.06455103961510 144.242 > 109 113 Nd 0.36261501244227 0.92829589179170 0.06455103961510 144.242 > 109 114 Nd 0.86261501244227 0.92829589179170 0.06455103961510 144.242 > 109 115 Nd 0.36261501244227 0.26162922512503 0.56455103961510 144.242 > 109 116 Nd 0.86261501244227 0.26162922512503 0.56455103961510 144.242 > 109 117 Nd 0.36261501244227 0.59496255845837 0.56455103961510 144.242 > 109 118 Nd 0.86261501244227 0.59496255845837 0.56455103961510 144.242 > 109 119 Nd 0.36261501244227 0.92829589179170 0.56455103961510 144.242 > 109 120 Nd 0.86261501244227 0.92829589179170 0.56455103961510 144.242 > 109 121 Nd 0.36261501244227 0.23837077487497 0.31455103961510 144.242 > 121 122 Nd 0.86261501244227 0.23837077487497 0.31455103961510 144.242 > 121 123 Nd 0.36261501244227 0.57170410820830 0.31455103961510 144.242 > 121 124 Nd 0.86261501244227 0.57170410820830 0.31455103961510 144.242 > 121 125 Nd 0.36261501244227 0.90503744154163 0.31455103961510 144.242 > 121 126 Nd 0.86261501244227 0.90503744154163 0.31455103961510 144.242 > 121 127 Nd 0.36261501244227 0.23837077487497 0.81455103961510 144.242 > 121 128 Nd 0.86261501244227 0.23837077487497 0.81455103961510 144.242 > 121 129 Nd 0.36261501244227 0.57170410820830 0.81455103961510 144.242 > 121 130 Nd 0.86261501244227 0.57170410820830 0.81455103961510 144.242 > 121 131 Nd 0.36261501244227 0.90503744154163 0.81455103961510 144.242 > 121 132 Nd 0.86261501244227 0.90503744154163 0.81455103961510 144.242 > 121 133 Nd 0.13738498755773 0.07170410820830 0.43544896038490 144.242 > 133 134 Nd 0.63738498755773 0.07170410820830 0.43544896038490 144.242 > 133 135 Nd 0.13738498755773 0.40503744154163 0.43544896038490 144.242 > 133 136 Nd 0.63738498755773 0.40503744154163 0.43544896038490 144.242 > 133 137 Nd 0.13738498755773 0.73837077487497 0.43544896038490 144.242 > 133 138 Nd 0.63738498755773 0.73837077487497 0.43544896038490 144.242 > 133 139 Nd 0.13738498755773 0.07170410820830 0.93544896038490 144.242 > 133 140 Nd 0.63738498755773 0.07170410820830 0.93544896038490 144.242 > 133 141 Nd 0.13738498755773 0.40503744154163 0.93544896038490 144.242 > 133 142 Nd 0.63738498755773 0.40503744154163 0.93544896038490 144.242 > 133 143 Nd 0.13738498755773 0.73837077487497 0.93544896038490 144.242 > 133 144 Nd 0.63738498755773 0.73837077487497 0.93544896038490 144.242 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7087882 0.0000000 -0.0853476 0.0000000 10.3506649 0.0000000 -0.0853489 0.0000000 12.2845879 -------------------------- Born effective charges -------------------------- 1 S -1.9779454 -0.3275343 0.1090154 -0.3166729 -1.1763826 1.1435666 0.0688381 1.4387705 -1.1283005 2 S -1.9779454 0.3275343 0.1090154 0.3166729 -1.1763826 -1.1435666 0.0688381 -1.4387705 -1.1283005 3 S -1.9779454 -0.3275343 0.1090154 -0.3166729 -1.1763826 1.1435666 0.0688381 1.4387705 -1.1283005 4 S -1.9779454 0.3275343 0.1090154 0.3166729 -1.1763826 -1.1435666 0.0688381 -1.4387705 -1.1283005 5 S -2.2163769 -0.0494570 0.0403345 0.0969534 -2.8847247 0.1530857 0.0638141 0.2356521 -2.9428309 6 S -2.2163769 0.0494570 0.0403345 -0.0969534 -2.8847247 -0.1530857 0.0638141 -0.2356521 -2.9428309 7 S -2.2163769 -0.0494570 0.0403345 0.0969534 -2.8847247 0.1530857 0.0638141 0.2356521 -2.9428309 8 S -2.2163769 0.0494570 0.0403345 -0.0969534 -2.8847247 -0.1530857 0.0638141 -0.2356521 -2.9428309 9 Nd 4.1943223 0.3880135 -0.1493499 0.1917900 4.0611073 -0.3442684 -0.1326521 -0.0084144 4.0711314 10 Nd 4.1943223 -0.3880135 -0.1493499 -0.1917900 4.0611073 0.3442684 -0.1326521 0.0084144 4.0711314 11 Nd 4.1943223 0.3880135 -0.1493499 0.1917900 4.0611073 -0.3442684 -0.1326521 -0.0084144 4.0711314 12 Nd 4.1943223 -0.3880135 -0.1493499 -0.1917900 4.0611073 0.3442684 -0.1326521 0.0084144 4.0711314 ---------------------------------------------------------------------------- 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[ 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[ 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: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:18:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:18:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.046199900009508 0.000000000000000 0.000000000000000 b 0.000000000000000 3.978903550000000 0.000000000000000 c -0.014835584724094 0.000000000000000 7.925685177201558 Atomic positions (fractional): 1 S 0.00192540284310 0.83900248530341 0.39062455428919 32.065 2 S 0.99807459715690 0.33900248530341 0.10937544571081 32.065 3 S 0.99807459715690 0.16099751469658 0.60937544571081 32.065 4 S 0.00192540284310 0.66099751469658 0.89062455428919 32.065 5 S 0.63317631608055 0.24158726466564 0.87519305349866 32.065 6 S 0.36682368391946 0.74158726466564 0.62480694650134 32.065 7 S 0.36682368391946 0.75841273533436 0.12480694650134 32.065 8 S 0.63317631608055 0.25841273533436 0.37519305349866 32.065 9 Nd 0.27476997511546 0.28488767537510 0.37089792076979 144.242 10 Nd 0.72523002488454 0.78488767537510 0.12910207923021 144.242 11 Nd 0.72523002488454 0.71511232462490 0.62910207923021 144.242 12 Nd 0.27476997511546 0.21511232462490 0.87089792076979 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.092399800019017 0.000000000000000 0.000000000000000 b 0.000000000000000 11.936710650000000 0.000000000000000 c -0.029671169448188 0.000000000000000 15.851370354403116 Atomic positions (fractional): 1 S 0.00096270142155 0.27966749510114 0.19531227714459 32.065 > 1 2 S 0.50096270142155 0.27966749510114 0.19531227714459 32.065 > 1 3 S 0.00096270142155 0.61300082843447 0.19531227714459 32.065 > 1 4 S 0.50096270142155 0.61300082843447 0.19531227714459 32.065 > 1 5 S 0.00096270142155 0.94633416176780 0.19531227714459 32.065 > 1 6 S 0.50096270142155 0.94633416176780 0.19531227714459 32.065 > 1 7 S 0.00096270142155 0.27966749510114 0.69531227714459 32.065 > 1 8 S 0.50096270142155 0.27966749510114 0.69531227714459 32.065 > 1 9 S 0.00096270142155 0.61300082843447 0.69531227714459 32.065 > 1 10 S 0.50096270142155 0.61300082843447 0.69531227714459 32.065 > 1 11 S 0.00096270142155 0.94633416176780 0.69531227714459 32.065 > 1 12 S 0.50096270142155 0.94633416176780 0.69531227714459 32.065 > 1 13 S 0.49903729857845 0.11300082843447 0.05468772285541 32.065 > 13 14 S 0.99903729857845 0.11300082843447 0.05468772285541 32.065 > 13 15 S 0.49903729857845 0.44633416176780 0.05468772285541 32.065 > 13 16 S 0.99903729857845 0.44633416176780 0.05468772285541 32.065 > 13 17 S 0.49903729857845 0.77966749510114 0.05468772285541 32.065 > 13 18 S 0.99903729857845 0.77966749510114 0.05468772285541 32.065 > 13 19 S 0.49903729857845 0.11300082843447 0.55468772285541 32.065 > 13 20 S 0.99903729857845 0.11300082843447 0.55468772285541 32.065 > 13 21 S 0.49903729857845 0.44633416176780 0.55468772285541 32.065 > 13 22 S 0.99903729857845 0.44633416176780 0.55468772285541 32.065 > 13 23 S 0.49903729857845 0.77966749510114 0.55468772285541 32.065 > 13 24 S 0.99903729857845 0.77966749510114 0.55468772285541 32.065 > 13 25 S 0.49903729857845 0.05366583823219 0.30468772285541 32.065 > 25 26 S 0.99903729857845 0.05366583823219 0.30468772285541 32.065 > 25 27 S 0.49903729857845 0.38699917156553 0.30468772285541 32.065 > 25 28 S 0.99903729857845 0.38699917156553 0.30468772285541 32.065 > 25 29 S 0.49903729857845 0.72033250489886 0.30468772285541 32.065 > 25 30 S 0.99903729857845 0.72033250489886 0.30468772285541 32.065 > 25 31 S 0.49903729857845 0.05366583823219 0.80468772285541 32.065 > 25 32 S 0.99903729857845 0.05366583823219 0.80468772285541 32.065 > 25 33 S 0.49903729857845 0.38699917156553 0.80468772285541 32.065 > 25 34 S 0.99903729857845 0.38699917156553 0.80468772285541 32.065 > 25 35 S 0.49903729857845 0.72033250489886 0.80468772285541 32.065 > 25 36 S 0.99903729857845 0.72033250489886 0.80468772285541 32.065 > 25 37 S 0.00096270142155 0.22033250489886 0.44531227714459 32.065 > 37 38 S 0.50096270142155 0.22033250489886 0.44531227714459 32.065 > 37 39 S 0.00096270142155 0.55366583823219 0.44531227714459 32.065 > 37 40 S 0.50096270142155 0.55366583823219 0.44531227714459 32.065 > 37 41 S 0.00096270142155 0.88699917156553 0.44531227714459 32.065 > 37 42 S 0.50096270142155 0.88699917156553 0.44531227714459 32.065 > 37 43 S 0.00096270142155 0.22033250489886 0.94531227714459 32.065 > 37 44 S 0.50096270142155 0.22033250489886 0.94531227714459 32.065 > 37 45 S 0.00096270142155 0.55366583823219 0.94531227714459 32.065 > 37 46 S 0.50096270142155 0.55366583823219 0.94531227714459 32.065 > 37 47 S 0.00096270142155 0.88699917156553 0.94531227714459 32.065 > 37 48 S 0.50096270142155 0.88699917156553 0.94531227714459 32.065 > 37 49 S 0.31658815804027 0.08052908822188 0.43759652674933 32.065 > 49 50 S 0.81658815804027 0.08052908822188 0.43759652674933 32.065 > 49 51 S 0.31658815804027 0.41386242155521 0.43759652674933 32.065 > 49 52 S 0.81658815804027 0.41386242155521 0.43759652674933 32.065 > 49 53 S 0.31658815804027 0.74719575488855 0.43759652674933 32.065 > 49 54 S 0.81658815804027 0.74719575488855 0.43759652674933 32.065 > 49 55 S 0.31658815804027 0.08052908822188 0.93759652674933 32.065 > 49 56 S 0.81658815804027 0.08052908822188 0.93759652674933 32.065 > 49 57 S 0.31658815804027 0.41386242155521 0.93759652674933 32.065 > 49 58 S 0.81658815804027 0.41386242155521 0.93759652674933 32.065 > 49 59 S 0.31658815804027 0.74719575488855 0.93759652674933 32.065 > 49 60 S 0.81658815804027 0.74719575488855 0.93759652674933 32.065 > 49 61 S 0.18341184195973 0.24719575488855 0.31240347325067 32.065 > 61 62 S 0.68341184195973 0.24719575488855 0.31240347325067 32.065 > 61 63 S 0.18341184195973 0.58052908822188 0.31240347325067 32.065 > 61 64 S 0.68341184195973 0.58052908822188 0.31240347325067 32.065 > 61 65 S 0.18341184195973 0.91386242155521 0.31240347325067 32.065 > 61 66 S 0.68341184195973 0.91386242155521 0.31240347325067 32.065 > 61 67 S 0.18341184195973 0.24719575488855 0.81240347325067 32.065 > 61 68 S 0.68341184195973 0.24719575488855 0.81240347325067 32.065 > 61 69 S 0.18341184195973 0.58052908822188 0.81240347325067 32.065 > 61 70 S 0.68341184195973 0.58052908822188 0.81240347325067 32.065 > 61 71 S 0.18341184195973 0.91386242155521 0.81240347325067 32.065 > 61 72 S 0.68341184195973 0.91386242155521 0.81240347325067 32.065 > 61 73 S 0.18341184195973 0.25280424511145 0.06240347325067 32.065 > 73 74 S 0.68341184195973 0.25280424511145 0.06240347325067 32.065 > 73 75 S 0.18341184195973 0.58613757844479 0.06240347325067 32.065 > 73 76 S 0.68341184195973 0.58613757844479 0.06240347325067 32.065 > 73 77 S 0.18341184195973 0.91947091177812 0.06240347325067 32.065 > 73 78 S 0.68341184195973 0.91947091177812 0.06240347325067 32.065 > 73 79 S 0.18341184195973 0.25280424511145 0.56240347325067 32.065 > 73 80 S 0.68341184195973 0.25280424511145 0.56240347325067 32.065 > 73 81 S 0.18341184195973 0.58613757844479 0.56240347325067 32.065 > 73 82 S 0.68341184195973 0.58613757844479 0.56240347325067 32.065 > 73 83 S 0.18341184195973 0.91947091177812 0.56240347325067 32.065 > 73 84 S 0.68341184195973 0.91947091177812 0.56240347325067 32.065 > 73 85 S 0.31658815804027 0.08613757844479 0.18759652674933 32.065 > 85 86 S 0.81658815804027 0.08613757844479 0.18759652674933 32.065 > 85 87 S 0.31658815804027 0.41947091177812 0.18759652674933 32.065 > 85 88 S 0.81658815804027 0.41947091177812 0.18759652674933 32.065 > 85 89 S 0.31658815804027 0.75280424511145 0.18759652674933 32.065 > 85 90 S 0.81658815804027 0.75280424511145 0.18759652674933 32.065 > 85 91 S 0.31658815804027 0.08613757844479 0.68759652674933 32.065 > 85 92 S 0.81658815804027 0.08613757844479 0.68759652674933 32.065 > 85 93 S 0.31658815804027 0.41947091177812 0.68759652674933 32.065 > 85 94 S 0.81658815804027 0.41947091177812 0.68759652674933 32.065 > 85 95 S 0.31658815804027 0.75280424511145 0.68759652674933 32.065 > 85 96 S 0.81658815804027 0.75280424511145 0.68759652674933 32.065 > 85 97 Nd 0.13738498755773 0.09496255845837 0.18544896038490 144.242 > 97 98 Nd 0.63738498755773 0.09496255845837 0.18544896038490 144.242 > 97 99 Nd 0.13738498755773 0.42829589179170 0.18544896038490 144.242 > 97 100 Nd 0.63738498755773 0.42829589179170 0.18544896038490 144.242 > 97 101 Nd 0.13738498755773 0.76162922512503 0.18544896038490 144.242 > 97 102 Nd 0.63738498755773 0.76162922512503 0.18544896038490 144.242 > 97 103 Nd 0.13738498755773 0.09496255845837 0.68544896038490 144.242 > 97 104 Nd 0.63738498755773 0.09496255845837 0.68544896038490 144.242 > 97 105 Nd 0.13738498755773 0.42829589179170 0.68544896038490 144.242 > 97 106 Nd 0.63738498755773 0.42829589179170 0.68544896038490 144.242 > 97 107 Nd 0.13738498755773 0.76162922512503 0.68544896038490 144.242 > 97 108 Nd 0.63738498755773 0.76162922512503 0.68544896038490 144.242 > 97 109 Nd 0.36261501244227 0.26162922512503 0.06455103961510 144.242 > 109 110 Nd 0.86261501244227 0.26162922512503 0.06455103961510 144.242 > 109 111 Nd 0.36261501244227 0.59496255845837 0.06455103961510 144.242 > 109 112 Nd 0.86261501244227 0.59496255845837 0.06455103961510 144.242 > 109 113 Nd 0.36261501244227 0.92829589179170 0.06455103961510 144.242 > 109 114 Nd 0.86261501244227 0.92829589179170 0.06455103961510 144.242 > 109 115 Nd 0.36261501244227 0.26162922512503 0.56455103961510 144.242 > 109 116 Nd 0.86261501244227 0.26162922512503 0.56455103961510 144.242 > 109 117 Nd 0.36261501244227 0.59496255845837 0.56455103961510 144.242 > 109 118 Nd 0.86261501244227 0.59496255845837 0.56455103961510 144.242 > 109 119 Nd 0.36261501244227 0.92829589179170 0.56455103961510 144.242 > 109 120 Nd 0.86261501244227 0.92829589179170 0.56455103961510 144.242 > 109 121 Nd 0.36261501244227 0.23837077487497 0.31455103961510 144.242 > 121 122 Nd 0.86261501244227 0.23837077487497 0.31455103961510 144.242 > 121 123 Nd 0.36261501244227 0.57170410820830 0.31455103961510 144.242 > 121 124 Nd 0.86261501244227 0.57170410820830 0.31455103961510 144.242 > 121 125 Nd 0.36261501244227 0.90503744154163 0.31455103961510 144.242 > 121 126 Nd 0.86261501244227 0.90503744154163 0.31455103961510 144.242 > 121 127 Nd 0.36261501244227 0.23837077487497 0.81455103961510 144.242 > 121 128 Nd 0.86261501244227 0.23837077487497 0.81455103961510 144.242 > 121 129 Nd 0.36261501244227 0.57170410820830 0.81455103961510 144.242 > 121 130 Nd 0.86261501244227 0.57170410820830 0.81455103961510 144.242 > 121 131 Nd 0.36261501244227 0.90503744154163 0.81455103961510 144.242 > 121 132 Nd 0.86261501244227 0.90503744154163 0.81455103961510 144.242 > 121 133 Nd 0.13738498755773 0.07170410820830 0.43544896038490 144.242 > 133 134 Nd 0.63738498755773 0.07170410820830 0.43544896038490 144.242 > 133 135 Nd 0.13738498755773 0.40503744154163 0.43544896038490 144.242 > 133 136 Nd 0.63738498755773 0.40503744154163 0.43544896038490 144.242 > 133 137 Nd 0.13738498755773 0.73837077487497 0.43544896038490 144.242 > 133 138 Nd 0.63738498755773 0.73837077487497 0.43544896038490 144.242 > 133 139 Nd 0.13738498755773 0.07170410820830 0.93544896038490 144.242 > 133 140 Nd 0.63738498755773 0.07170410820830 0.93544896038490 144.242 > 133 141 Nd 0.13738498755773 0.40503744154163 0.93544896038490 144.242 > 133 142 Nd 0.63738498755773 0.40503744154163 0.93544896038490 144.242 > 133 143 Nd 0.13738498755773 0.73837077487497 0.93544896038490 144.242 > 133 144 Nd 0.63738498755773 0.73837077487497 0.93544896038490 144.242 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.7087882 0.0000000 -0.0853476 0.0000000 10.3506649 0.0000000 -0.0853489 0.0000000 12.2845879 -------------------------- Born effective charges -------------------------- 1 S -1.9779454 -0.3275343 0.1090154 -0.3166729 -1.1763826 1.1435666 0.0688381 1.4387705 -1.1283005 2 S -1.9779454 0.3275343 0.1090154 0.3166729 -1.1763826 -1.1435666 0.0688381 -1.4387705 -1.1283005 3 S -1.9779454 -0.3275343 0.1090154 -0.3166729 -1.1763826 1.1435666 0.0688381 1.4387705 -1.1283005 4 S -1.9779454 0.3275343 0.1090154 0.3166729 -1.1763826 -1.1435666 0.0688381 -1.4387705 -1.1283005 5 S -2.2163769 -0.0494570 0.0403345 0.0969534 -2.8847247 0.1530857 0.0638141 0.2356521 -2.9428309 6 S -2.2163769 0.0494570 0.0403345 -0.0969534 -2.8847247 -0.1530857 0.0638141 -0.2356521 -2.9428309 7 S -2.2163769 -0.0494570 0.0403345 0.0969534 -2.8847247 0.1530857 0.0638141 0.2356521 -2.9428309 8 S -2.2163769 0.0494570 0.0403345 -0.0969534 -2.8847247 -0.1530857 0.0638141 -0.2356521 -2.9428309 9 Nd 4.1943223 0.3880135 -0.1493499 0.1917900 4.0611073 -0.3442684 -0.1326521 -0.0084144 4.0711314 10 Nd 4.1943223 -0.3880135 -0.1493499 -0.1917900 4.0611073 0.3442684 -0.1326521 0.0084144 4.0711314 11 Nd 4.1943223 0.3880135 -0.1493499 0.1917900 4.0611073 -0.3442684 -0.1326521 -0.0084144 4.0711314 12 Nd 4.1943223 -0.3880135 -0.1493499 -0.1917900 4.0611073 0.3442684 -0.1326521 0.0084144 4.0711314 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 13 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 301, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 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 2.132 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.598 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 6.064 ( 0.000 0.000 0.000) 0.000 6.482 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.962 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.182 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 9.094 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 10.919 ( 0.000 0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.17 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 26.219 0.000 -2.987) 26.388 0.556 ( 26.344 0.000 -1.152) 26.369 1.120 ( 52.715 0.000 -2.763) 52.788 2.061 ( -6.541 0.000 -0.388) 6.552 2.121 ( -7.440 0.000 1.019) 7.509 2.529 ( 0.118 0.000 -0.575) 0.587 2.541 ( -2.855 0.000 4.726) 5.521 2.723 ( 1.708 0.000 -1.407) 2.213 2.999 ( -7.847 0.000 -4.454) 9.023 3.899 ( -0.857 0.000 9.983) 10.019 3.924 ( -1.211 0.000 -0.556) 1.333 4.375 ( -3.349 0.000 12.112) 12.567 4.423 ( -16.079 0.000 1.453) 16.145 4.646 ( 3.685 0.000 -1.420) 3.949 4.748 ( 6.336 0.000 0.131) 6.337 5.071 ( 0.521 0.000 0.083) 0.527 5.071 ( 0.937 0.000 -1.071) 1.423 5.449 ( -0.467 0.000 0.316) 0.563 5.468 ( -1.610 0.000 1.055) 1.925 5.997 ( -5.516 0.000 -0.760) 5.568 6.685 ( 1.838 0.000 -0.506) 1.907 6.816 ( 0.537 0.000 2.615) 2.670 7.323 ( 4.071 0.000 -1.778) 4.442 7.374 ( -2.693 0.000 -2.264) 3.519 7.677 ( -2.858 0.000 4.249) 5.121 7.995 ( 2.430 0.000 4.038) 4.712 8.016 ( 4.722 0.000 3.571) 5.920 8.068 ( 2.877 0.000 0.243) 2.887 8.184 ( 0.432 0.000 -3.428) 3.455 8.404 ( 0.021 0.000 1.462) 1.462 8.507 ( -1.433 0.000 -30.540) 30.573 8.768 ( -0.390 0.000 -0.716) 0.815 9.058 ( -3.381 0.000 0.503) 3.418 9.181 ( 0.240 0.000 -0.637) 0.681 10.913 ( -0.532 0.000 0.214) 0.574 11.054 ( -0.707 0.000 -0.084) 0.712 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.33 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 24.005 0.000 -3.093) 24.203 1.080 ( 23.890 0.000 -1.579) 23.942 1.864 ( -12.676 0.000 0.684) 12.695 1.892 ( -13.941 0.000 2.164) 14.108 2.147 ( 43.800 0.000 -2.984) 43.902 2.442 ( -5.748 0.000 5.289) 7.811 2.533 ( 0.454 0.000 1.013) 1.110 2.775 ( 3.764 0.000 -1.622) 4.099 2.867 ( -3.892 0.000 -5.649) 6.860 3.871 ( -3.613 0.000 5.042) 6.203 3.882 ( -2.330 0.000 -0.236) 2.342 3.958 ( -25.696 0.000 0.100) 25.696 4.307 ( -2.969 0.000 4.456) 5.354 4.726 ( 3.239 0.000 -0.557) 3.286 4.890 ( 6.134 0.000 -1.009) 6.216 5.088 ( 1.022 0.000 0.124) 1.029 5.089 ( 0.662 0.000 0.529) 0.847 5.430 ( -1.736 0.000 1.127) 2.070 5.438 ( -0.551 0.000 0.280) 0.617 5.880 ( -4.877 0.000 -0.301) 4.886 6.714 ( 0.898 0.000 -0.570) 1.063 6.824 ( 0.156 0.000 1.822) 1.828 7.316 ( -2.407 0.000 -2.059) 3.167 7.425 ( 4.859 0.000 -1.269) 5.022 7.619 ( -2.324 0.000 0.209) 2.334 8.044 ( 1.989 0.000 1.665) 2.594 8.101 ( 2.181 0.000 5.242) 5.677 8.129 ( 2.422 0.000 -0.116) 2.425 8.229 ( 4.665 0.000 -2.920) 5.504 8.406 ( 0.138 0.000 2.189) 2.193 8.454 ( -3.718 0.000 -11.284) 11.881 8.776 ( 1.638 0.000 -1.422) 2.170 8.962 ( -5.586 0.000 0.861) 5.652 9.186 ( 0.254 0.000 -0.625) 0.675 10.901 ( -0.529 0.000 0.212) 0.570 11.038 ( -0.706 0.000 -0.085) 0.711 ======================= Grid point 3 (4/140) ======================= q-point: (-0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 0.000 -0.000) 0.000 1.532 ( -0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 -0.000) 0.000 1.536 ( -0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 -0.000) 0.000 2.673 ( 0.000 0.000 -0.000) 0.000 2.831 ( 0.000 0.000 -0.000) 0.000 2.986 ( 0.000 0.000 -0.000) 0.000 3.435 ( -0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 -0.000) 0.000 4.274 ( 0.000 0.000 -0.000) 0.000 4.762 ( 0.000 0.000 -0.000) 0.000 4.959 ( 0.000 0.000 -0.000) 0.000 5.096 ( 0.000 0.000 -0.000) 0.000 5.102 ( 0.000 0.000 -0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 -0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 6.825 ( 0.000 0.000 -0.000) 0.000 7.289 ( 0.000 0.000 -0.000) 0.000 7.483 ( 0.000 0.000 -0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.155 ( 0.000 0.000 -0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.368 ( -0.000 0.000 -0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 -0.000) 0.000 8.849 ( -0.000 0.000 0.000) 0.000 9.189 ( 0.000 0.000 0.000) 0.000 10.895 ( 0.000 0.000 -0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/140) ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 0.000 25.808 0.000) 25.808 0.637 ( 0.000 31.942 0.000) 31.942 0.958 ( 0.000 48.788 0.000) 48.788 2.230 ( 0.000 3.161 0.000) 3.161 2.278 ( 0.000 14.119 0.000) 14.119 2.578 ( 0.000 5.136 0.000) 5.136 2.623 ( 0.000 -0.142 0.000) 0.142 2.762 ( 0.000 5.338 0.000) 5.338 3.120 ( 0.000 2.496 0.000) 2.496 3.990 ( 0.000 11.625 0.000) 11.625 4.112 ( 0.000 2.375 0.000) 2.375 4.237 ( 0.000 -1.422 0.000) 1.422 4.545 ( 0.000 -4.623 0.000) 4.623 4.590 ( 0.000 -4.193 0.000) 4.193 4.619 ( 0.000 -5.391 0.000) 5.391 5.086 ( 0.000 2.918 0.000) 2.918 5.427 ( 0.000 0.466 0.000) 0.466 5.436 ( 0.000 -1.545 0.000) 1.545 5.945 ( 0.000 0.186 0.000) 0.186 6.044 ( 0.000 -1.842 0.000) 1.842 6.481 ( 0.000 -0.063 0.000) 0.063 6.713 ( 0.000 0.769 0.000) 0.769 6.820 ( 0.000 1.057 0.000) 1.057 7.383 ( 0.000 -2.389 0.000) 2.389 7.708 ( 0.000 -1.324 0.000) 1.324 7.886 ( 0.000 -4.323 0.000) 4.323 7.935 ( 0.000 -3.599 0.000) 3.599 8.087 ( 0.000 -4.778 0.000) 4.778 8.117 ( 0.000 5.039 0.000) 5.039 8.241 ( 0.000 0.761 0.000) 0.761 8.368 ( 0.000 -3.460 0.000) 3.460 9.082 ( 0.000 -1.525 0.000) 1.525 9.088 ( 0.000 -0.604 0.000) 0.604 9.188 ( 0.000 0.840 0.000) 0.840 10.867 ( 0.000 -5.186 0.000) 5.186 11.058 ( 0.000 -0.390 0.000) 0.390 ======================= Grid point 8 (6/140) ======================= q-point: ( 0.17 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 20.324 18.476 1.756) 27.523 0.838 ( 17.122 23.056 -3.055) 28.881 1.433 ( 38.072 29.764 -2.160) 48.374 2.158 ( -6.837 4.288 -1.917) 8.295 2.213 ( -6.098 13.942 1.337) 15.276 2.566 ( -0.743 3.669 2.187) 4.336 2.598 ( -2.873 3.091 1.539) 4.492 2.774 ( 1.320 5.010 -1.053) 5.287 3.023 ( -7.376 3.042 -3.339) 8.649 3.982 ( -0.871 10.381 0.022) 10.418 4.027 ( -4.855 5.141 1.911) 7.325 4.272 ( -0.097 -5.650 7.363) 9.282 4.390 ( -14.324 -2.203 -0.798) 14.514 4.608 ( 2.717 -4.634 -0.278) 5.379 4.707 ( 6.572 -5.007 -0.597) 8.284 5.097 ( 0.813 2.736 2.017) 3.495 5.297 ( -10.104 8.965 1.004) 13.545 5.422 ( -0.562 -1.017 0.163) 1.173 5.562 ( -7.152 8.715 1.302) 11.349 6.015 ( -5.328 1.457 0.015) 5.524 6.649 ( 2.567 -4.311 -2.598) 5.650 6.783 ( 1.581 -2.147 3.176) 4.147 7.074 ( 13.689 -10.309 -3.283) 17.448 7.443 ( 3.411 -0.269 -1.251) 3.643 7.678 ( -2.538 -0.250 1.495) 2.956 7.921 ( 3.131 -6.246 -4.084) 8.093 7.979 ( 3.323 -3.810 2.510) 5.645 8.065 ( -0.833 -7.215 2.287) 7.614 8.167 ( 3.738 3.012 -4.158) 6.351 8.249 ( 1.282 -3.736 -1.308) 4.161 8.382 ( 0.316 -3.808 0.745) 3.893 8.976 ( -5.914 3.897 -3.366) 7.842 9.065 ( -3.034 1.384 -1.605) 3.701 9.191 ( 0.441 0.925 -0.947) 1.395 10.862 ( -0.451 -5.104 0.122) 5.125 11.050 ( -0.740 -0.425 -0.137) 0.864 ======================= Grid point 9 (7/140) ======================= q-point: ( 0.33 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 20.352 14.316 3.779) 25.168 1.261 ( 21.800 14.546 -5.815) 26.845 1.950 ( -12.892 6.684 -1.848) 14.639 2.025 ( -12.139 14.410 2.600) 19.020 2.268 ( 37.436 12.819 -2.358) 39.640 2.493 ( -5.512 4.076 4.430) 8.162 2.564 ( 0.130 2.863 0.333) 2.886 2.804 ( 0.423 2.531 -1.772) 3.119 2.921 ( 0.465 6.063 -3.895) 7.222 3.885 ( -15.549 -0.157 0.433) 15.556 3.963 ( -1.209 8.277 3.710) 9.151 4.008 ( -13.806 6.307 -0.436) 15.185 4.245 ( -2.117 -4.721 3.101) 6.032 4.675 ( 2.917 -5.257 -0.238) 6.017 4.846 ( 5.740 -5.301 -1.266) 7.916 5.112 ( 0.587 2.484 1.747) 3.093 5.182 ( -1.884 7.175 -0.310) 7.425 5.408 ( -0.784 -1.090 0.388) 1.398 5.491 ( -1.631 4.858 0.515) 5.150 5.900 ( -4.805 1.907 0.064) 5.170 6.684 ( 1.171 -2.931 -1.254) 3.396 6.794 ( -0.260 -2.463 1.417) 2.853 7.261 ( 5.869 -3.865 -1.563) 7.199 7.465 ( -0.456 2.406 -0.733) 2.556 7.625 ( -2.079 0.591 0.183) 2.169 7.989 ( 2.790 -8.642 -4.769) 10.257 8.039 ( 1.942 -2.122 7.500) 8.032 8.063 ( 0.518 -9.963 -1.160) 10.044 8.243 ( 3.031 0.785 -3.285) 4.538 8.290 ( 1.699 -6.591 -1.391) 6.947 8.378 ( 0.210 -2.652 2.411) 3.590 8.884 ( -3.032 3.344 -2.029) 4.949 8.988 ( -3.748 3.755 -0.987) 5.397 9.200 ( 0.412 1.241 -0.671) 1.470 10.851 ( -0.485 -4.960 0.166) 4.986 11.033 ( -0.737 -0.496 -0.121) 0.896 ======================= Grid point 10 (8/140) ======================= q-point: (-0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 8.188 0.000) 8.188 1.635 ( -0.000 9.684 -0.000) 9.684 1.671 ( 0.000 10.550 -0.000) 10.550 1.743 ( -0.000 18.851 0.000) 18.851 2.421 ( 0.000 4.475 0.000) 4.475 2.554 ( 0.000 3.047 -0.000) 3.047 2.727 ( -0.000 5.932 0.000) 5.932 2.778 ( 0.000 -2.475 -0.000) 2.475 3.138 ( 0.000 12.725 -0.000) 12.725 3.433 ( -0.000 0.121 0.000) 0.121 3.924 ( 0.000 6.659 -0.000) 6.659 3.949 ( 0.000 8.580 0.000) 8.580 4.220 ( 0.000 -4.583 -0.000) 4.583 4.708 ( 0.000 -5.482 -0.000) 5.482 4.909 ( 0.000 -5.791 -0.000) 5.791 5.118 ( 0.000 2.253 0.000) 2.253 5.170 ( 0.000 5.965 -0.000) 5.965 5.396 ( 0.000 -1.275 0.000) 1.275 5.477 ( 0.000 5.013 -0.000) 5.013 5.845 ( 0.000 2.006 0.000) 2.006 6.697 ( 0.000 -2.225 0.000) 2.225 6.788 ( 0.000 -3.327 -0.000) 3.327 7.321 ( 0.000 2.770 0.000) 2.770 7.460 ( 0.000 -2.229 -0.000) 2.229 7.603 ( 0.000 0.923 0.000) 0.923 8.020 ( 0.000 -10.230 -0.000) 10.230 8.054 ( 0.000 -1.570 0.000) 1.570 8.075 ( 0.000 -9.396 -0.000) 9.396 8.285 ( 0.000 -4.079 -0.000) 4.079 8.290 ( -0.000 -3.180 0.000) 3.180 8.395 ( 0.000 -1.361 -0.000) 1.361 8.851 ( 0.000 0.306 0.000) 0.306 8.942 ( 0.000 6.725 -0.000) 6.725 9.205 ( 0.000 1.390 0.000) 1.390 10.846 ( 0.000 -4.905 -0.000) 4.905 11.025 ( 0.000 -0.531 0.000) 0.531 ======================= Grid point 14 (9/140) ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 25.239 0.000) 25.239 1.218 ( 0.000 27.847 0.000) 27.847 1.867 ( 0.000 44.302 0.000) 44.302 2.317 ( 0.000 5.908 0.000) 5.908 2.608 ( 0.000 17.082 0.000) 17.082 2.627 ( 0.000 0.583 0.000) 0.583 2.687 ( 0.000 5.956 0.000) 5.956 2.892 ( 0.000 7.667 0.000) 7.667 3.241 ( 0.000 11.310 0.000) 11.310 4.074 ( 0.000 -8.067 0.000) 8.067 4.120 ( 0.000 -2.707 0.000) 2.707 4.357 ( 0.000 16.894 0.000) 16.894 4.437 ( 0.000 -7.994 0.000) 7.994 4.474 ( 0.000 -9.128 0.000) 9.128 4.539 ( 0.000 1.698 0.000) 1.698 5.164 ( 0.000 5.039 0.000) 5.039 5.374 ( 0.000 -4.101 0.000) 4.101 5.459 ( 0.000 2.444 0.000) 2.444 5.953 ( 0.000 0.760 0.000) 0.760 6.004 ( 0.000 -1.978 0.000) 1.978 6.477 ( 0.000 -0.427 0.000) 0.427 6.736 ( 0.000 1.540 0.000) 1.540 6.848 ( 0.000 1.813 0.000) 1.813 7.315 ( 0.000 -4.590 0.000) 4.590 7.653 ( 0.000 -4.482 0.000) 4.482 7.810 ( 0.000 -8.836 0.000) 8.836 7.831 ( 0.000 -1.467 0.000) 1.467 8.023 ( 0.000 -2.311 0.000) 2.311 8.162 ( 0.000 -2.779 0.000) 2.779 8.213 ( 0.000 -3.504 0.000) 3.504 8.316 ( 0.000 0.641 0.000) 0.641 9.047 ( 0.000 -2.047 0.000) 2.047 9.074 ( 0.000 -0.745 0.000) 0.745 9.204 ( 0.000 0.775 0.000) 0.775 10.736 ( 0.000 -7.794 0.000) 7.794 11.046 ( 0.000 -0.943 0.000) 0.943 ======================= Grid point 15 (10/140) ======================= q-point: ( 0.17 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 14.876 20.072 -0.674) 24.993 1.319 ( 9.186 24.891 0.738) 26.542 2.107 ( 20.489 35.634 -0.273) 41.105 2.266 ( -4.853 7.323 -0.751) 8.817 2.540 ( -4.402 15.908 -4.096) 17.006 2.629 ( -1.486 3.810 5.280) 6.679 2.670 ( -1.992 5.199 -0.943) 5.647 2.894 ( 0.048 6.948 -0.820) 6.996 3.150 ( -6.680 10.694 -0.759) 12.631 4.034 ( -3.584 -4.224 2.282) 5.992 4.125 ( -0.881 -3.752 1.508) 4.139 4.301 ( -4.067 11.667 -5.299) 13.444 4.379 ( -6.599 0.850 4.537) 8.053 4.509 ( -0.229 -2.500 -0.947) 2.683 4.566 ( 6.406 -8.480 -0.261) 10.631 5.170 ( 0.460 4.640 1.678) 4.955 5.329 ( -3.770 -2.452 0.402) 4.515 5.441 ( -1.496 2.623 0.455) 3.054 5.728 ( -8.873 7.249 -0.793) 11.485 6.037 ( -3.284 0.765 1.023) 3.524 6.552 ( 4.118 -4.189 -3.185) 6.682 6.767 ( 1.017 0.099 1.019) 1.443 6.972 ( 10.243 -1.954 -0.279) 10.431 7.388 ( 6.550 -5.019 -1.018) 8.314 7.657 ( -0.332 -2.337 3.426) 4.161 7.776 ( -1.596 -9.328 -4.435) 10.451 7.841 ( -0.767 -5.883 -4.193) 7.265 8.003 ( -0.731 -1.840 6.292) 6.596 8.179 ( 1.123 -3.806 -1.010) 4.095 8.215 ( 0.466 -2.873 1.238) 3.163 8.325 ( 1.010 0.932 0.857) 1.619 8.979 ( -4.388 -1.337 -0.811) 4.658 9.086 ( -0.592 0.186 -1.271) 1.414 9.209 ( 0.567 0.844 -1.293) 1.645 10.732 ( -0.333 -7.768 0.114) 7.776 11.037 ( -0.806 -0.977 -0.186) 1.280 ======================= Grid point 16 (11/140) ======================= q-point: ( 0.33 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 19.521 15.903 2.568) 25.309 1.567 ( 14.320 18.066 -1.644) 23.112 2.111 ( -9.744 9.511 -1.228) 13.672 2.337 ( -9.215 15.118 -2.094) 17.829 2.562 ( -4.146 2.873 3.766) 6.295 2.616 ( 1.001 4.743 -1.375) 5.038 2.646 ( 15.012 20.466 0.301) 25.383 2.887 ( 0.531 8.590 -1.044) 8.670 3.098 ( 5.115 11.402 -2.473) 12.739 3.872 ( -14.297 0.368 2.678) 14.550 4.092 ( -1.621 -1.591 4.978) 5.472 4.164 ( -7.436 6.157 -7.436) 12.186 4.254 ( -3.362 12.224 4.066) 13.314 4.538 ( 1.920 -7.948 -0.264) 8.181 4.693 ( 4.910 -9.515 -1.067) 10.760 5.178 ( 0.190 4.136 1.329) 4.349 5.270 ( -1.117 1.341 0.040) 1.746 5.401 ( -2.294 0.727 0.790) 2.533 5.634 ( -1.286 9.367 -1.342) 9.550 5.945 ( -4.302 2.644 0.839) 5.119 6.621 ( 2.804 -2.979 -1.985) 4.547 6.752 ( -1.999 -1.627 0.349) 2.601 7.193 ( 10.346 -3.163 -0.457) 10.828 7.489 ( 0.022 -0.347 0.917) 0.981 7.635 ( -1.030 -0.189 2.283) 2.512 7.742 ( -0.470 -14.874 -6.264) 16.146 7.831 ( 0.176 -10.853 -1.235) 10.924 8.004 ( 0.224 -3.021 4.167) 5.152 8.205 ( 1.288 -3.897 -0.929) 4.208 8.219 ( -0.179 -4.350 2.156) 4.859 8.364 ( 2.393 2.154 0.684) 3.291 8.891 ( -3.657 -0.874 -0.742) 3.833 9.058 ( -1.532 2.114 -1.476) 2.999 9.224 ( 0.659 0.976 -0.827) 1.439 10.724 ( -0.369 -7.667 0.132) 7.677 11.019 ( -0.804 -1.050 -0.174) 1.334 ======================= Grid point 17 (12/140) ======================= q-point: (-0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.000 14.194 0.000) 14.194 1.872 ( 0.000 13.710 -0.000) 13.710 1.906 ( 0.000 13.268 -0.000) 13.268 2.110 ( -0.000 15.528 -0.000) 15.528 2.507 ( 0.000 3.767 0.000) 3.767 2.604 ( 0.000 1.255 -0.000) 1.255 2.781 ( 0.000 3.180 0.000) 3.180 2.930 ( 0.000 15.523 0.000) 15.523 3.434 ( 0.000 17.340 -0.000) 17.340 3.466 ( -0.000 4.325 0.000) 4.325 4.067 ( 0.000 6.701 -0.000) 6.701 4.095 ( 0.000 -2.621 0.000) 2.621 4.219 ( 0.000 12.798 0.000) 12.798 4.561 ( 0.000 -9.088 -0.000) 9.088 4.746 ( 0.000 -10.176 -0.000) 10.176 5.178 ( 0.000 3.780 0.000) 3.780 5.269 ( 0.000 3.653 -0.000) 3.653 5.368 ( 0.000 -1.427 0.000) 1.427 5.630 ( 0.000 10.280 -0.000) 10.280 5.894 ( 0.000 2.932 0.000) 2.932 6.661 ( -0.000 -0.953 0.000) 0.953 6.717 ( 0.000 -3.663 -0.000) 3.663 7.371 ( -0.000 1.890 0.000) 1.890 7.402 ( 0.000 -3.738 -0.000) 3.738 7.624 ( 0.000 1.034 0.000) 1.034 7.758 ( 0.000 -15.427 -0.000) 15.427 7.831 ( -0.000 -13.674 -0.000) 13.674 8.005 ( 0.000 -4.151 0.000) 4.151 8.216 ( 0.000 -3.910 0.000) 3.910 8.221 ( 0.000 -4.210 -0.000) 4.210 8.395 ( 0.000 1.911 0.000) 1.911 8.848 ( 0.000 -0.599 0.000) 0.599 9.040 ( 0.000 2.915 -0.000) 2.915 9.231 ( 0.000 1.088 0.000) 1.088 10.720 ( 0.000 -7.608 -0.000) 7.608 11.010 ( 0.000 -1.087 0.000) 1.087 ======================= Grid point 21 (13/140) ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 23.415 0.000) 23.415 1.707 ( 0.000 22.606 0.000) 22.606 2.395 ( 0.000 6.680 0.000) 6.680 2.602 ( 0.000 8.766 0.000) 8.766 2.735 ( 0.000 26.556 0.000) 26.556 2.735 ( 0.000 1.889 0.000) 1.889 2.932 ( 0.000 13.142 0.000) 13.142 3.052 ( 0.000 9.732 0.000) 9.732 3.573 ( 0.000 21.917 0.000) 21.917 3.838 ( 0.000 -14.553 0.000) 14.553 4.009 ( 0.000 -8.284 0.000) 8.284 4.246 ( 0.000 -11.098 0.000) 11.098 4.294 ( 0.000 -8.445 0.000) 8.445 4.600 ( 0.000 2.524 0.000) 2.524 4.696 ( 0.000 15.520 0.000) 15.520 5.279 ( 0.000 -5.514 0.000) 5.514 5.280 ( 0.000 7.212 0.000) 7.212 5.535 ( 0.000 5.496 0.000) 5.496 5.979 ( 0.000 2.024 0.000) 2.024 5.981 ( 0.000 -0.144 0.000) 0.144 6.465 ( 0.000 -0.802 0.000) 0.802 6.757 ( 0.000 -0.090 0.000) 0.090 6.893 ( 0.000 2.889 0.000) 2.889 7.212 ( 0.000 -5.696 0.000) 5.696 7.546 ( 0.000 -6.247 0.000) 6.247 7.623 ( 0.000 -9.808 0.000) 9.808 7.807 ( 0.000 -1.763 0.000) 1.763 7.973 ( 0.000 -3.360 0.000) 3.360 8.035 ( 0.000 -7.804 0.000) 7.804 8.125 ( 0.000 -4.838 0.000) 4.838 8.386 ( 0.000 4.979 0.000) 4.979 9.001 ( 0.000 -2.752 0.000) 2.752 9.063 ( 0.000 -0.230 0.000) 0.230 9.217 ( 0.000 0.482 0.000) 0.482 10.590 ( 0.000 -6.711 0.000) 6.711 11.017 ( 0.000 -2.325 0.000) 2.325 ======================= Grid point 22 (14/140) ======================= q-point: ( 0.17 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 8.535 20.017 -0.524) 21.767 1.768 ( 5.720 21.252 1.141) 22.038 2.384 ( -1.888 6.413 -1.050) 6.767 2.590 ( -1.178 4.414 -0.046) 4.568 2.699 ( -3.323 1.554 0.035) 3.668 2.786 ( 1.722 20.386 4.662) 20.983 2.915 ( -1.226 11.476 -3.280) 11.998 3.088 ( 5.651 18.484 -1.795) 19.411 3.403 ( -10.389 12.288 -0.174) 16.092 3.942 ( 4.784 -1.200 1.369) 5.119 4.016 ( 0.335 -7.154 1.094) 7.245 4.210 ( -2.137 -10.290 -1.373) 10.599 4.329 ( 2.004 -10.790 1.335) 11.055 4.548 ( -4.541 2.784 -0.954) 5.411 4.685 ( -0.866 15.829 -0.937) 15.880 5.258 ( -1.045 -2.456 -0.256) 2.681 5.276 ( -0.641 4.355 1.524) 4.658 5.510 ( -2.536 4.539 0.931) 5.282 5.851 ( -4.128 5.964 -3.126) 7.898 6.054 ( -0.217 1.284 1.380) 1.898 6.497 ( 3.125 -1.858 -2.893) 4.646 6.767 ( -0.169 -0.687 0.178) 0.730 6.963 ( 6.452 0.582 1.484) 6.646 7.260 ( 4.908 -7.687 -0.591) 9.140 7.573 ( 1.395 -6.190 5.327) 8.284 7.591 ( -2.397 -9.098 -2.453) 9.723 7.771 ( -3.535 -2.233 -6.084) 7.382 7.945 ( -1.707 -4.750 3.840) 6.342 8.071 ( 2.351 -6.128 -3.710) 7.540 8.124 ( 0.067 -4.698 5.472) 7.212 8.399 ( 1.248 4.966 -0.315) 5.130 8.948 ( -3.851 -1.828 -0.954) 4.368 9.077 ( 0.227 -0.809 0.235) 0.872 9.221 ( 0.462 0.313 -1.202) 1.325 10.586 ( -0.327 -6.743 0.135) 6.753 11.007 ( -0.844 -2.332 -0.204) 2.489 ======================= Grid point 23 (15/140) ======================= q-point: ( 0.33 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 15.864 13.025 -0.730) 20.539 1.929 ( 9.385 18.150 2.589) 20.597 2.300 ( -6.191 9.572 -1.270) 11.471 2.535 ( -6.438 3.706 -0.857) 7.478 2.619 ( -3.547 2.490 -2.115) 4.822 2.673 ( -9.133 5.230 1.424) 10.620 2.892 ( -0.994 6.724 2.561) 7.263 3.255 ( -2.356 14.598 -0.235) 14.789 3.359 ( 16.863 22.781 -3.537) 28.563 3.953 ( -4.669 8.651 3.018) 10.284 4.014 ( -0.005 -4.735 1.917) 5.108 4.160 ( -3.271 -7.416 -2.173) 8.391 4.358 ( 0.939 -9.100 3.187) 9.687 4.450 ( -3.840 -0.710 -3.496) 5.241 4.673 ( -0.133 13.161 -0.520) 13.172 5.260 ( 0.802 -0.090 0.120) 0.816 5.266 ( 0.528 3.310 0.019) 3.352 5.432 ( -4.652 2.246 1.734) 5.450 5.823 ( 0.821 9.660 -3.258) 10.228 6.005 ( -3.344 3.769 1.434) 5.239 6.575 ( 4.048 -1.919 -3.095) 5.445 6.731 ( -3.028 -0.872 1.024) 3.314 7.134 ( 9.311 -3.285 0.762) 9.903 7.391 ( 6.447 -11.816 -0.920) 13.492 7.501 ( -5.473 -4.955 3.768) 8.289 7.601 ( -0.031 -8.814 1.475) 8.937 7.681 ( -3.959 -1.183 -6.981) 8.113 7.909 ( -1.714 -6.767 2.094) 7.288 8.114 ( 1.653 -4.858 -3.767) 6.366 8.135 ( 0.866 -3.682 6.472) 7.496 8.433 ( 1.802 4.404 -0.354) 4.772 8.869 ( -3.358 -1.412 -0.792) 3.728 9.068 ( -0.802 -0.766 -0.297) 1.149 9.234 ( 0.694 0.081 -0.850) 1.100 10.579 ( -0.333 -6.787 0.138) 6.796 10.988 ( -0.843 -2.346 -0.198) 2.500 ======================= Grid point 24 (16/140) ======================= q-point: (-0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 0.000 13.606 0.000) 13.606 2.111 ( 0.000 9.038 -0.000) 9.038 2.173 ( 0.000 14.094 0.000) 14.094 2.310 ( -0.000 7.362 -0.000) 7.362 2.569 ( 0.000 3.100 0.000) 3.100 2.606 ( 0.000 -0.568 -0.000) 0.568 2.880 ( 0.000 6.258 0.000) 6.258 3.233 ( 0.000 11.469 -0.000) 11.469 3.671 ( -0.000 18.602 0.000) 18.602 3.785 ( 0.000 17.619 -0.000) 17.619 4.015 ( 0.000 -3.710 0.000) 3.710 4.111 ( 0.000 -4.130 -0.000) 4.130 4.375 ( -0.000 -6.065 -0.000) 6.065 4.405 ( 0.000 -5.188 0.000) 5.188 4.674 ( 0.000 10.250 0.000) 10.250 5.259 ( 0.000 4.438 0.000) 4.438 5.316 ( -0.000 1.504 0.000) 1.504 5.347 ( 0.000 -0.657 -0.000) 0.657 5.844 ( 0.000 11.333 -0.000) 11.333 5.958 ( 0.000 3.807 0.000) 3.807 6.652 ( -0.000 -3.047 0.000) 3.047 6.663 ( 0.000 0.655 -0.000) 0.655 7.292 ( -0.000 -9.034 0.000) 9.034 7.381 ( 0.000 -1.202 0.000) 1.202 7.481 ( 0.000 -10.873 -0.000) 10.873 7.583 ( -0.000 -11.417 0.000) 11.417 7.641 ( 0.000 0.536 -0.000) 0.536 7.888 ( 0.000 -7.499 0.000) 7.499 8.131 ( 0.000 -4.699 0.000) 4.699 8.148 ( 0.000 -2.836 -0.000) 2.836 8.456 ( 0.000 3.968 0.000) 3.968 8.829 ( 0.000 -1.332 0.000) 1.332 9.057 ( 0.000 -0.727 -0.000) 0.727 9.242 ( 0.000 0.027 0.000) 0.027 10.575 ( 0.000 -6.801 -0.000) 6.801 10.978 ( 0.000 -2.352 0.000) 2.352 ======================= Grid point 28 (17/140) ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.000 19.549 0.000) 19.549 2.092 ( 0.000 17.279 0.000) 17.279 2.482 ( 0.000 2.863 0.000) 2.863 2.656 ( 0.000 2.123 0.000) 2.123 2.759 ( 0.000 1.157 0.000) 1.157 3.054 ( 0.000 3.441 0.000) 3.441 3.138 ( 0.000 8.400 0.000) 8.400 3.402 ( 0.000 13.121 0.000) 13.121 3.611 ( 0.000 1.171 0.000) 1.171 3.802 ( 0.000 -11.842 0.000) 11.842 4.025 ( 0.000 22.639 0.000) 22.639 4.026 ( 0.000 -11.194 0.000) 11.194 4.172 ( 0.000 -4.042 0.000) 4.042 4.610 ( 0.000 -1.110 0.000) 1.110 4.902 ( 0.000 5.693 0.000) 5.693 5.171 ( 0.000 -5.410 0.000) 5.410 5.445 ( 0.000 9.302 0.000) 9.302 5.661 ( 0.000 6.899 0.000) 6.899 6.005 ( 0.000 2.627 0.000) 2.627 6.034 ( 0.000 3.651 0.000) 3.651 6.449 ( 0.000 -0.801 0.000) 0.801 6.698 ( 0.000 -6.485 0.000) 6.485 6.961 ( 0.000 4.221 0.000) 4.221 7.114 ( 0.000 -4.049 0.000) 4.049 7.413 ( 0.000 -7.556 0.000) 7.556 7.458 ( 0.000 -6.759 0.000) 6.759 7.739 ( 0.000 -4.929 0.000) 4.929 7.884 ( 0.000 -5.558 0.000) 5.558 7.927 ( 0.000 -2.745 0.000) 2.745 8.047 ( 0.000 -3.199 0.000) 3.199 8.487 ( 0.000 5.280 0.000) 5.280 8.940 ( 0.000 -3.629 0.000) 3.629 9.068 ( 0.000 0.763 0.000) 0.763 9.221 ( 0.000 -0.160 0.000) 0.160 10.494 ( 0.000 -2.873 0.000) 2.873 10.950 ( 0.000 -4.663 0.000) 4.663 ======================= Grid point 29 (18/140) ======================= q-point: ( 0.17 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 3.253 16.999 -0.234) 17.309 2.136 ( 4.099 16.720 1.246) 17.260 2.483 ( -0.141 3.478 -0.691) 3.549 2.632 ( -2.496 1.455 1.172) 3.118 2.719 ( -3.458 1.266 -1.366) 3.927 3.005 ( -6.722 0.615 -0.822) 6.800 3.068 ( -3.878 9.927 4.493) 11.566 3.406 ( -2.043 -0.699 -3.972) 4.521 3.631 ( 5.837 19.834 -0.616) 20.684 3.838 ( 2.850 -9.282 -0.475) 9.722 3.997 ( -1.371 -10.855 2.016) 11.125 4.125 ( 6.241 15.744 0.875) 16.959 4.158 ( -1.190 -4.747 1.398) 5.089 4.572 ( -3.613 0.011 -1.826) 4.048 4.918 ( 1.235 7.551 -1.095) 7.729 5.178 ( 0.978 -4.246 -1.009) 4.472 5.407 ( -2.985 7.601 1.678) 8.336 5.609 ( -4.703 5.357 0.511) 7.147 5.974 ( -0.122 6.847 -3.332) 7.616 6.093 ( 2.098 2.677 1.192) 3.604 6.473 ( 2.478 -0.695 -2.860) 3.848 6.704 ( 0.027 -6.783 1.282) 6.904 6.983 ( 2.154 1.437 1.151) 2.834 7.133 ( 2.197 -4.312 0.254) 4.846 7.421 ( 0.120 -8.646 -2.247) 8.934 7.452 ( -0.493 -5.750 3.190) 6.594 7.722 ( -1.473 -3.139 -1.518) 3.785 7.835 ( -3.219 -5.348 -0.868) 6.302 7.975 ( 3.012 -3.635 -1.570) 4.975 8.052 ( 0.711 -2.868 3.703) 4.737 8.498 ( 0.985 5.119 -0.353) 5.225 8.904 ( -3.006 -2.793 -0.743) 4.170 9.066 ( -0.515 -0.122 0.713) 0.888 9.219 ( 0.044 -0.482 -0.951) 1.067 10.490 ( -0.408 -2.935 0.121) 2.965 10.940 ( -0.828 -4.638 -0.196) 4.716 ======================= Grid point 30 (19/140) ======================= q-point: ( 0.33 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 7.929 9.288 0.013) 12.212 2.253 ( 6.677 15.034 2.270) 16.606 2.458 ( -3.032 5.921 -1.540) 6.828 2.556 ( -3.933 0.177 0.751) 4.008 2.642 ( -3.557 1.648 -2.515) 4.658 2.785 ( -11.872 4.441 1.362) 12.748 3.020 ( -1.537 6.735 2.461) 7.334 3.359 ( -1.420 0.565 -2.765) 3.159 3.807 ( 7.513 6.214 -2.100) 9.973 3.906 ( 3.756 -0.637 0.381) 3.829 3.977 ( 0.549 -4.433 1.545) 4.727 4.130 ( -1.329 -6.069 3.025) 6.910 4.236 ( 3.857 13.516 2.021) 14.200 4.464 ( -6.458 1.785 -3.926) 7.766 4.937 ( 0.422 11.319 -0.788) 11.354 5.228 ( 4.061 -1.901 -2.065) 4.937 5.351 ( -1.963 4.251 2.088) 5.127 5.486 ( -6.659 3.391 0.658) 7.501 5.999 ( 2.161 8.480 -2.719) 9.164 6.096 ( -1.438 5.539 0.890) 5.791 6.543 ( 3.782 -1.374 -3.958) 5.644 6.685 ( -1.821 -5.240 2.733) 6.184 7.045 ( 3.210 -5.183 0.990) 6.176 7.208 ( 4.844 -5.140 -0.106) 7.063 7.412 ( -0.857 -9.219 -1.501) 9.379 7.424 ( -2.438 -4.497 2.831) 5.847 7.681 ( -2.386 0.073 -2.122) 3.194 7.772 ( -2.286 -6.348 -0.341) 6.755 8.032 ( 2.182 -3.366 -0.708) 4.073 8.080 ( 1.730 -2.248 2.930) 4.078 8.522 ( 1.150 4.522 -0.454) 4.688 8.835 ( -3.170 -2.128 -0.669) 3.876 9.045 ( -1.177 -1.081 0.375) 1.641 9.225 ( 0.406 -1.077 -0.734) 1.365 10.480 ( -0.404 -3.055 0.122) 3.084 10.922 ( -0.825 -4.588 -0.193) 4.666 ======================= Grid point 31 (20/140) ======================= q-point: (-0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.000 -0.631 0.000) 0.631 2.318 ( -0.000 9.263 -0.000) 9.263 2.433 ( 0.000 12.234 0.000) 12.234 2.478 ( -0.000 9.555 -0.000) 9.555 2.596 ( 0.000 0.083 -0.000) 0.083 2.636 ( 0.000 3.774 0.000) 3.774 3.003 ( 0.000 6.212 -0.000) 6.212 3.347 ( 0.000 1.509 0.000) 1.509 3.871 ( 0.000 -7.417 -0.000) 7.417 3.931 ( 0.000 -11.181 -0.000) 11.181 4.062 ( -0.000 -1.852 0.000) 1.852 4.098 ( 0.000 19.724 -0.000) 19.724 4.281 ( 0.000 9.109 0.000) 9.109 4.362 ( -0.000 0.650 -0.000) 0.650 4.940 ( 0.000 13.045 0.000) 13.045 5.318 ( 0.000 -0.079 -0.000) 0.079 5.335 ( -0.000 0.628 -0.000) 0.628 5.366 ( 0.000 3.991 0.000) 3.991 6.049 ( 0.000 5.671 -0.000) 5.671 6.053 ( -0.000 9.867 0.000) 9.867 6.600 ( -0.000 -2.348 0.000) 2.348 6.649 ( 0.000 -3.455 -0.000) 3.455 7.083 ( 0.000 -9.194 0.000) 9.194 7.306 ( 0.000 -6.377 0.000) 6.377 7.346 ( 0.000 -4.871 0.000) 4.871 7.411 ( 0.000 -6.559 -0.000) 6.559 7.648 ( 0.000 0.320 0.000) 0.320 7.750 ( -0.000 -5.828 -0.000) 5.828 8.055 ( 0.000 -2.899 0.000) 2.899 8.103 ( 0.000 -2.005 -0.000) 2.005 8.536 ( 0.000 4.056 0.000) 4.056 8.797 ( 0.000 -2.032 -0.000) 2.032 9.031 ( 0.000 -1.455 -0.000) 1.455 9.230 ( 0.000 -1.326 0.000) 1.326 10.476 ( 0.000 -3.114 -0.000) 3.114 10.912 ( 0.000 -4.563 0.000) 4.563 ======================= Grid point 35 (21/140) ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.000 13.957 0.000) 13.957 2.368 ( 0.000 10.736 0.000) 10.736 2.515 ( 0.000 0.819 0.000) 0.819 2.680 ( 0.000 -0.786 0.000) 0.786 2.801 ( 0.000 3.790 0.000) 3.790 3.038 ( 0.000 -3.122 0.000) 3.122 3.247 ( 0.000 2.017 0.000) 2.017 3.308 ( 0.000 -7.419 0.000) 7.419 3.600 ( 0.000 -7.058 0.000) 7.058 3.818 ( 0.000 -7.959 0.000) 7.959 3.940 ( 0.000 13.474 0.000) 13.474 4.108 ( 0.000 -2.102 0.000) 2.102 4.421 ( 0.000 16.372 0.000) 16.372 4.593 ( 0.000 0.497 0.000) 0.497 4.955 ( 0.000 1.153 0.000) 1.153 5.082 ( 0.000 -3.573 0.000) 3.573 5.610 ( 0.000 7.357 0.000) 7.357 5.774 ( 0.000 4.263 0.000) 4.263 6.072 ( 0.000 3.822 0.000) 3.822 6.111 ( 0.000 3.826 0.000) 3.826 6.432 ( 0.000 -1.036 0.000) 1.036 6.534 ( 0.000 -8.857 0.000) 8.857 7.053 ( 0.000 -2.248 0.000) 2.248 7.053 ( 0.000 5.081 0.000) 5.081 7.258 ( 0.000 -8.059 0.000) 8.059 7.358 ( 0.000 -4.138 0.000) 4.138 7.664 ( 0.000 -2.078 0.000) 2.078 7.779 ( 0.000 -4.889 0.000) 4.889 7.908 ( 0.000 0.122 0.000) 0.122 7.994 ( 0.000 -2.391 0.000) 2.391 8.588 ( 0.000 5.116 0.000) 5.116 8.862 ( 0.000 -4.306 0.000) 4.306 9.093 ( 0.000 1.763 0.000) 1.763 9.208 ( 0.000 -1.151 0.000) 1.151 10.485 ( 0.000 1.856 0.000) 1.856 10.837 ( 0.000 -6.902 0.000) 6.902 ======================= Grid point 36 (22/140) ======================= q-point: ( 0.17 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -1.161 11.998 0.166) 12.055 2.406 ( 3.560 10.675 0.778) 11.280 2.523 ( 0.543 1.058 -0.282) 1.222 2.625 ( -4.790 -2.499 1.479) 5.602 2.780 ( -1.880 5.085 -1.771) 5.703 2.979 ( -5.265 -1.990 0.078) 5.629 3.203 ( -3.521 3.537 4.381) 6.641 3.309 ( 0.025 -6.261 -4.778) 7.876 3.608 ( 1.218 -7.953 -2.601) 8.455 3.796 ( -2.153 -9.145 4.260) 10.316 4.010 ( 5.957 11.029 1.871) 12.674 4.083 ( -2.209 -2.020 0.072) 2.994 4.462 ( 3.283 14.866 1.005) 15.257 4.590 ( -0.310 3.182 -2.897) 4.314 4.999 ( 3.903 2.071 -0.722) 4.477 5.106 ( 2.514 -2.909 -1.067) 3.990 5.547 ( -5.205 6.510 0.862) 8.379 5.700 ( -6.190 3.570 -1.009) 7.217 6.106 ( 2.454 6.083 -0.576) 6.584 6.151 ( 2.938 3.235 -0.379) 4.386 6.460 ( 2.563 -1.107 -1.116) 3.007 6.531 ( -0.282 -9.094 0.239) 9.102 7.013 ( -1.385 1.018 1.017) 1.998 7.102 ( 2.355 1.028 0.349) 2.593 7.253 ( -0.513 -8.370 -0.401) 8.395 7.358 ( -0.287 -4.381 0.360) 4.405 7.668 ( 0.324 -1.733 0.226) 1.777 7.753 ( -2.354 -3.450 -1.220) 4.351 7.934 ( 2.299 -0.729 -0.755) 2.527 8.004 ( 1.116 -2.190 1.308) 2.784 8.594 ( 0.508 4.773 -0.246) 4.806 8.840 ( -2.057 -3.725 -0.287) 4.265 9.077 ( -1.467 1.317 0.473) 2.027 9.200 ( -0.584 -1.532 -0.679) 1.775 10.479 ( -0.514 1.796 0.059) 1.869 10.828 ( -0.769 -6.860 -0.167) 6.905 ======================= Grid point 37 (23/140) ======================= q-point: ( 0.33 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -1.027 5.526 0.905) 5.693 2.467 ( -3.955 0.744 -0.269) 4.033 2.518 ( 4.575 6.527 -0.233) 7.974 2.577 ( 1.961 2.233 0.355) 2.993 2.723 ( -3.622 6.231 -0.409) 7.219 2.844 ( -7.342 2.195 0.354) 7.671 3.136 ( -2.447 4.467 2.568) 5.705 3.309 ( 0.002 -5.288 -3.237) 6.200 3.646 ( 1.984 -9.750 -3.751) 10.634 3.752 ( -1.776 -8.903 4.990) 10.359 4.023 ( -2.632 -1.500 0.146) 3.033 4.144 ( 5.419 2.015 3.143) 6.581 4.528 ( 2.587 13.232 0.265) 13.485 4.578 ( -0.855 10.339 -3.224) 10.863 5.089 ( 4.024 4.832 -0.201) 6.292 5.191 ( 5.632 -1.735 -2.110) 6.260 5.430 ( -5.366 4.019 1.704) 6.918 5.552 ( -7.483 2.782 -1.307) 8.090 6.152 ( 1.834 7.330 -0.090) 7.556 6.199 ( 1.381 4.569 -0.732) 4.829 6.516 ( 1.417 -3.151 -4.755) 5.877 6.531 ( 1.187 -7.298 3.899) 8.359 6.999 ( -0.107 0.175 0.903) 0.926 7.153 ( 2.477 -1.539 0.730) 3.006 7.243 ( -0.027 -7.536 -0.690) 7.568 7.336 ( -1.905 -4.778 0.335) 5.155 7.673 ( -0.004 -1.085 1.352) 1.734 7.694 ( -2.695 -1.532 -2.300) 3.860 7.989 ( 2.601 -1.088 -0.399) 2.847 8.041 ( 2.069 -1.868 1.015) 2.967 8.603 ( 0.298 3.824 -0.336) 3.850 8.786 ( -2.719 -2.828 -0.321) 3.936 9.040 ( -1.745 0.777 0.384) 1.948 9.192 ( -0.183 -2.371 -0.558) 2.443 10.467 ( -0.510 1.672 0.060) 1.750 10.810 ( -0.767 -6.777 -0.164) 6.822 ======================= Grid point 38 (24/140) ======================= q-point: (-0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 0.000 0.362 0.000) 0.362 2.403 ( 0.000 -1.055 -0.000) 1.055 2.607 ( 0.000 5.105 0.000) 5.105 2.644 ( -0.000 6.973 0.000) 6.973 2.668 ( 0.000 8.048 -0.000) 8.048 2.708 ( 0.000 3.718 0.000) 3.718 3.111 ( 0.000 4.388 -0.000) 4.388 3.309 ( 0.000 -5.062 0.000) 5.062 3.671 ( 0.000 -10.757 -0.000) 10.757 3.731 ( -0.000 -8.551 0.000) 8.551 3.991 ( 0.000 -1.553 0.000) 1.553 4.206 ( 0.000 -4.103 0.000) 4.103 4.554 ( -0.000 13.846 0.000) 13.846 4.567 ( 0.000 14.908 -0.000) 14.908 5.138 ( 0.000 7.391 0.000) 7.391 5.297 ( 0.000 -1.475 0.000) 1.475 5.350 ( 0.000 1.204 -0.000) 1.204 5.444 ( 0.000 3.054 0.000) 3.054 6.174 ( 0.000 6.945 -0.000) 6.945 6.211 ( 0.000 6.150 0.000) 6.150 6.520 ( 0.000 -8.006 0.000) 8.006 6.557 ( 0.000 -2.380 -0.000) 2.380 6.999 ( 0.000 -0.315 0.000) 0.315 7.182 ( 0.000 -5.690 0.000) 5.690 7.263 ( -0.000 -3.765 -0.000) 3.765 7.294 ( 0.000 -5.656 -0.000) 5.656 7.656 ( 0.000 0.481 0.000) 0.481 7.677 ( 0.000 -1.908 -0.000) 1.908 8.020 ( 0.000 -0.853 0.000) 0.853 8.067 ( 0.000 -1.706 -0.000) 1.706 8.606 ( 0.000 3.099 0.000) 3.099 8.752 ( 0.000 -2.482 -0.000) 2.482 9.020 ( 0.000 0.643 -0.000) 0.643 9.190 ( 0.000 -2.777 0.000) 2.777 10.461 ( 0.000 1.610 -0.000) 1.610 10.802 ( 0.000 -6.736 0.000) 6.736 ======================= Grid point 42 (25/140) ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 0.000 9.686 0.000) 9.686 2.496 ( 0.000 3.102 0.000) 3.102 2.521 ( 0.000 -0.201 0.000) 0.201 2.600 ( 0.000 -6.998 0.000) 6.998 2.912 ( 0.000 6.752 0.000) 6.752 2.998 ( 0.000 -1.585 0.000) 1.585 3.194 ( 0.000 -3.707 0.000) 3.707 3.207 ( 0.000 -4.007 0.000) 4.007 3.574 ( 0.000 3.240 0.000) 3.240 3.672 ( 0.000 -6.427 0.000) 6.427 4.079 ( 0.000 1.783 0.000) 1.783 4.086 ( 0.000 -0.223 0.000) 0.223 4.626 ( 0.000 4.612 0.000) 4.612 4.634 ( 0.000 2.405 0.000) 2.405 4.987 ( 0.000 2.456 0.000) 2.456 5.032 ( 0.000 -2.011 0.000) 2.011 5.733 ( 0.000 5.517 0.000) 5.517 5.806 ( 0.000 -1.305 0.000) 1.305 6.131 ( 0.000 1.999 0.000) 1.999 6.152 ( 0.000 0.038 0.000) 0.038 6.412 ( 0.000 -0.803 0.000) 0.803 6.418 ( 0.000 -2.428 0.000) 2.428 7.037 ( 0.000 1.058 0.000) 1.058 7.099 ( 0.000 -4.272 0.000) 4.272 7.178 ( 0.000 4.024 0.000) 4.024 7.275 ( 0.000 -4.818 0.000) 4.818 7.659 ( 0.000 1.284 0.000) 1.284 7.702 ( 0.000 -3.042 0.000) 3.042 7.922 ( 0.000 1.225 0.000) 1.225 7.953 ( 0.000 -1.919 0.000) 1.919 8.684 ( 0.000 4.847 0.000) 4.847 8.775 ( 0.000 -4.643 0.000) 4.643 9.133 ( 0.000 2.301 0.000) 2.301 9.177 ( 0.000 -2.049 0.000) 2.049 10.561 ( 0.000 5.761 0.000) 5.761 10.693 ( 0.000 -7.555 0.000) 7.555 ======================= Grid point 43 (26/140) ======================= q-point: ( 0.17 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -4.484 8.030 0.700) 9.224 2.511 ( -3.296 -3.323 0.776) 4.745 2.536 ( 2.650 2.396 -0.456) 3.601 2.563 ( 0.482 -1.773 -0.237) 1.853 2.898 ( -1.496 6.117 -1.141) 6.400 2.961 ( -3.118 -0.470 0.493) 3.192 3.189 ( -0.734 -3.049 3.335) 4.578 3.201 ( -0.440 -4.213 -5.173) 6.686 3.556 ( -1.144 2.370 0.903) 2.782 3.648 ( -1.941 -6.328 3.446) 7.462 4.071 ( -1.465 0.748 0.091) 1.647 4.093 ( 0.882 -0.410 0.984) 1.384 4.653 ( 2.735 5.238 0.063) 5.909 4.676 ( 3.206 2.976 -1.484) 4.619 5.034 ( 4.277 1.873 -0.821) 4.740 5.067 ( 3.356 -1.477 -0.585) 3.713 5.658 ( -6.283 5.001 -0.434) 8.042 5.726 ( -6.677 -1.313 -1.414) 6.950 6.181 ( 3.823 2.147 0.007) 4.384 6.202 ( 3.719 0.668 -1.360) 4.016 6.410 ( 0.167 -1.032 2.493) 2.703 6.438 ( 1.496 -2.338 -1.282) 3.057 7.029 ( -0.488 1.679 0.712) 1.888 7.098 ( -0.178 -5.023 -0.235) 5.032 7.178 ( 0.063 3.820 -0.185) 3.825 7.269 ( -0.607 -4.855 -0.435) 4.912 7.663 ( 0.256 1.056 0.101) 1.092 7.698 ( -0.570 -2.314 0.280) 2.399 7.938 ( 1.649 0.974 -0.706) 2.042 7.966 ( 1.369 -1.780 0.008) 2.245 8.682 ( -0.262 4.361 -0.117) 4.370 8.764 ( -1.164 -4.120 -0.076) 4.282 9.114 ( -1.689 2.347 0.052) 2.892 9.162 ( -1.258 -2.371 -0.355) 2.707 10.554 ( -0.610 5.709 -0.030) 5.742 10.686 ( -0.693 -7.508 -0.112) 7.541 ======================= Grid point 44 (27/140) ======================= q-point: ( 0.33 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -5.439 5.497 0.855) 7.780 2.388 ( -5.813 -5.817 -0.017) 8.223 2.623 ( 4.109 1.997 -0.508) 4.597 2.628 ( 5.118 2.313 -0.607) 5.649 2.847 ( -3.331 5.426 0.301) 6.374 2.883 ( -4.357 1.421 0.498) 4.610 3.164 ( -1.305 -0.935 0.927) 1.854 3.194 ( -0.211 -5.010 -2.692) 5.692 3.545 ( 0.005 0.155 0.027) 0.158 3.612 ( -1.191 -5.671 3.568) 6.805 4.032 ( -1.894 2.424 0.091) 3.078 4.102 ( 0.024 -4.141 1.013) 4.263 4.720 ( 3.068 6.051 -0.401) 6.796 4.740 ( 2.463 4.221 -0.941) 4.976 5.146 ( 5.916 1.550 -0.081) 6.116 5.166 ( 5.982 -0.908 -0.792) 6.102 5.509 ( -7.499 3.998 -0.490) 8.512 5.568 ( -7.817 -1.446 -1.720) 8.134 6.254 ( 2.798 2.494 -0.618) 3.798 6.268 ( 2.229 1.947 -0.783) 3.062 6.418 ( 0.525 -0.437 1.332) 1.497 6.473 ( 1.672 -3.557 -0.034) 3.930 7.024 ( 0.069 2.302 0.826) 2.446 7.093 ( -0.222 -4.710 -0.409) 4.733 7.185 ( 0.690 1.659 0.041) 1.797 7.247 ( -1.544 -4.233 -0.730) 4.565 7.665 ( -0.155 0.374 0.156) 0.434 7.677 ( -1.169 -0.743 0.355) 1.430 7.986 ( 2.556 0.617 -0.622) 2.702 8.008 ( 2.326 -1.517 -0.094) 2.778 8.670 ( -0.855 3.165 -0.153) 3.282 8.729 ( -1.932 -3.031 -0.100) 3.596 9.076 ( -1.627 2.743 0.042) 3.189 9.136 ( -0.948 -3.217 -0.307) 3.367 10.540 ( -0.608 5.604 -0.028) 5.637 10.670 ( -0.692 -7.414 -0.109) 7.447 ======================= Grid point 45 (28/140) ======================= q-point: (-0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 4.575 0.000) 4.575 2.321 ( 0.000 -6.065 -0.000) 6.065 2.686 ( 0.000 2.960 -0.000) 2.960 2.713 ( 0.000 0.448 0.000) 0.448 2.797 ( 0.000 4.331 0.000) 4.331 2.802 ( -0.000 4.369 -0.000) 4.369 3.149 ( 0.000 -0.020 -0.000) 0.020 3.192 ( 0.000 -5.381 0.000) 5.381 3.547 ( 0.000 -0.952 0.000) 0.952 3.601 ( 0.000 -5.164 0.000) 5.164 4.010 ( 0.000 3.185 -0.000) 3.185 4.101 ( 0.000 -5.738 0.000) 5.738 4.755 ( -0.000 6.060 -0.000) 6.060 4.767 ( 0.000 5.007 0.000) 5.007 5.231 ( 0.000 2.683 -0.000) 2.683 5.267 ( 0.000 -1.572 0.000) 1.572 5.396 ( 0.000 3.559 -0.000) 3.559 5.458 ( 0.000 -1.824 0.000) 1.824 6.288 ( -0.000 2.042 0.000) 2.042 6.288 ( 0.000 3.223 -0.000) 3.223 6.425 ( 0.000 0.001 0.000) 0.001 6.493 ( 0.000 -4.370 -0.000) 4.370 7.027 ( 0.000 2.562 0.000) 2.562 7.090 ( 0.000 -3.943 -0.000) 3.943 7.208 ( 0.000 -1.584 0.000) 1.584 7.213 ( -0.000 -2.280 -0.000) 2.280 7.662 ( -0.000 -0.062 0.000) 0.062 7.663 ( 0.000 0.076 -0.000) 0.076 8.018 ( 0.000 0.532 0.000) 0.532 8.037 ( 0.000 -1.349 -0.000) 1.349 8.658 ( 0.000 2.389 0.000) 2.389 8.704 ( 0.000 -2.463 -0.000) 2.463 9.058 ( 0.000 3.068 -0.000) 3.068 9.126 ( 0.000 -3.683 0.000) 3.683 10.533 ( 0.000 5.550 -0.000) 5.550 10.662 ( 0.000 -7.368 0.000) 7.368 ======================= Grid point 91 (29/140) ======================= q-point: ( 0.00 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -1.357 0.000 26.266) 26.301 0.705 ( -0.992 0.000 31.791) 31.806 1.064 ( -3.542 0.000 49.034) 49.162 2.160 ( -1.346 0.000 2.041) 2.445 2.327 ( 0.494 0.000 3.798) 3.830 2.456 ( 3.294 0.000 -9.587) 10.137 2.560 ( 1.348 0.000 7.622) 7.741 2.693 ( -2.803 0.000 -0.736) 2.898 3.167 ( -1.261 0.000 5.565) 5.706 3.991 ( -1.596 0.000 5.163) 5.404 4.156 ( 1.153 0.000 5.380) 5.502 4.342 ( 10.213 0.000 5.070) 11.402 4.486 ( -2.646 0.000 -11.358) 11.662 4.509 ( 1.368 0.000 -14.479) 14.544 4.548 ( 2.303 0.000 -3.968) 4.588 5.101 ( 0.027 0.000 3.079) 3.079 5.426 ( 2.116 0.000 -2.189) 3.045 5.442 ( 1.173 0.000 -4.254) 4.413 5.917 ( 24.863 0.000 4.718) 25.307 6.074 ( -1.334 0.000 0.865) 1.590 6.555 ( -28.676 0.000 0.526) 28.680 6.624 ( 0.451 0.000 -2.078) 2.127 6.884 ( 2.895 0.000 5.779) 6.464 7.280 ( -2.505 0.000 0.325) 2.526 7.375 ( -2.079 0.000 -2.898) 3.567 7.724 ( 2.343 0.000 -10.806) 11.057 8.108 ( 0.426 0.000 6.489) 6.503 8.135 ( 0.107 0.000 4.743) 4.744 8.278 ( -1.782 0.000 8.963) 9.139 8.402 ( 1.396 0.000 -0.302) 1.429 8.707 ( -12.194 0.000 -0.050) 12.194 8.778 ( -0.516 0.000 0.082) 0.523 9.118 ( 0.373 0.000 2.067) 2.100 9.177 ( 0.345 0.000 0.061) 0.351 10.891 ( 0.267 0.000 -2.391) 2.406 11.013 ( -0.139 0.000 -4.316) 4.319 ======================= Grid point 92 (30/140) ======================= q-point: ( 0.17 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 19.868 0.000 20.408) 28.482 0.871 ( 14.806 0.000 23.659) 27.910 1.424 ( 34.799 0.000 30.458) 46.245 2.080 ( -5.825 0.000 1.314) 5.971 2.290 ( -4.712 0.000 8.032) 9.312 2.522 ( 2.884 0.000 -7.430) 7.970 2.547 ( -1.475 0.000 5.597) 5.788 2.671 ( 0.835 0.000 -2.420) 2.560 3.010 ( -12.660 0.000 7.225) 14.577 3.960 ( -1.606 0.000 3.277) 3.650 4.146 ( -1.845 0.000 5.536) 5.835 4.333 ( -10.448 0.000 2.133) 10.664 4.485 ( 3.376 0.000 -13.411) 13.829 4.528 ( -5.472 0.000 -0.635) 5.509 4.601 ( 5.972 0.000 -13.511) 14.772 5.107 ( 0.539 0.000 2.971) 3.019 5.367 ( -8.055 0.000 5.503) 9.756 5.443 ( -1.079 0.000 -3.600) 3.758 5.625 ( -14.645 0.000 19.318) 24.242 5.990 ( -5.660 0.000 -0.039) 5.660 6.665 ( 2.709 0.000 -0.513) 2.757 6.919 ( -0.189 0.000 6.198) 6.200 6.922 ( 20.075 0.000 -25.657) 32.577 7.297 ( 4.407 0.000 -0.411) 4.426 7.412 ( 7.568 0.000 -9.142) 11.868 7.780 ( 2.095 0.000 -8.446) 8.702 8.124 ( -0.460 0.000 1.350) 1.426 8.139 ( 2.175 0.000 6.051) 6.430 8.277 ( 2.174 0.000 10.708) 10.927 8.430 ( 1.381 0.000 0.974) 1.689 8.517 ( -4.081 0.000 8.887) 9.779 8.763 ( -0.826 0.000 0.071) 0.829 9.087 ( -3.314 0.000 1.915) 3.828 9.164 ( -0.901 0.000 -0.465) 1.014 10.890 ( -0.378 0.000 -2.174) 2.207 11.003 ( -0.765 0.000 -4.475) 4.540 ======================= Grid point 93 (31/140) ======================= q-point: ( 0.33 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 18.650 0.000 13.943) 23.286 1.283 ( 20.675 0.000 17.939) 27.373 1.922 ( -9.734 0.000 4.129) 10.574 2.101 ( -8.798 0.000 12.265) 15.094 2.231 ( 31.018 0.000 12.862) 33.579 2.548 ( 3.393 0.000 1.430) 3.682 2.557 ( -1.794 0.000 1.071) 2.089 2.723 ( 5.211 0.000 -2.296) 5.694 2.751 ( -7.711 0.000 -0.061) 7.711 3.914 ( -23.756 0.000 -3.192) 23.970 3.920 ( -1.928 0.000 3.361) 3.874 4.152 ( -3.230 0.000 17.942) 18.231 4.362 ( -8.192 0.000 0.769) 8.228 4.574 ( 3.881 0.000 -13.181) 13.741 4.734 ( 6.329 0.000 -13.699) 15.090 5.125 ( 1.049 0.000 2.953) 3.134 5.215 ( -4.873 0.000 8.677) 9.952 5.405 ( -2.330 0.000 -3.786) 4.446 5.505 ( -1.971 0.000 6.237) 6.541 5.876 ( -4.666 0.000 -0.115) 4.667 6.715 ( 1.861 0.000 0.940) 2.085 6.891 ( -1.936 0.000 4.052) 4.491 7.081 ( 2.153 0.000 -14.266) 14.428 7.423 ( 6.300 0.000 1.134) 6.401 7.581 ( 5.435 0.000 -10.982) 12.253 7.791 ( -0.513 0.000 -8.366) 8.382 8.129 ( 0.426 0.000 -0.971) 1.060 8.181 ( 1.564 0.000 4.486) 4.751 8.373 ( 6.230 0.000 8.949) 10.904 8.448 ( -0.245 0.000 1.983) 1.998 8.494 ( 0.455 0.000 9.547) 9.558 8.762 ( 1.377 0.000 0.017) 1.377 8.992 ( -5.385 0.000 1.734) 5.657 9.153 ( -0.160 0.000 -2.085) 2.091 10.878 ( -0.626 0.000 -2.146) 2.235 10.986 ( -0.664 0.000 -4.494) 4.543 ======================= Grid point 94 (32/140) ======================= q-point: (-0.50 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 16.367 0.000 7.916) 18.181 1.661 ( -15.365 0.000 9.244) 17.931 1.684 ( 12.671 0.000 13.837) 18.762 1.806 ( -11.870 0.000 19.075) 22.467 2.421 ( -6.326 0.000 4.363) 7.685 2.468 ( 0.521 0.000 -3.925) 3.959 2.689 ( 0.789 0.000 2.164) 2.303 2.781 ( 6.209 0.000 -3.950) 7.359 3.079 ( 8.098 0.000 8.961) 12.077 3.392 ( -7.730 0.000 -3.469) 8.473 3.901 ( 0.495 0.000 4.250) 4.279 4.085 ( -3.260 0.000 18.031) 18.323 4.248 ( -2.574 0.000 -1.366) 2.914 4.615 ( -0.074 0.000 -13.380) 13.381 4.829 ( 2.017 0.000 -12.271) 12.436 5.139 ( -0.002 0.000 3.200) 3.200 5.152 ( -1.485 0.000 4.597) 4.831 5.362 ( -1.347 0.000 -4.743) 4.930 5.486 ( -0.029 0.000 4.936) 4.936 5.823 ( 0.146 0.000 -0.121) 0.190 6.739 ( 0.461 0.000 1.672) 1.734 6.854 ( -1.569 0.000 2.509) 2.959 7.121 ( 2.254 0.000 -10.379) 10.621 7.510 ( 1.319 0.000 2.471) 2.801 7.643 ( 1.676 0.000 -3.355) 3.751 7.765 ( -2.417 0.000 -13.690) 13.902 8.132 ( -0.096 0.000 0.569) 0.577 8.201 ( 0.379 0.000 3.714) 3.734 8.408 ( -3.169 0.000 0.460) 3.202 8.445 ( -0.666 0.000 7.455) 7.485 8.561 ( 6.596 0.000 11.090) 12.904 8.831 ( 4.107 0.000 -0.327) 4.120 8.890 ( -3.193 0.000 2.648) 4.148 9.155 ( 0.230 0.000 -3.134) 3.143 10.868 ( -0.249 0.000 -2.323) 2.336 10.980 ( 0.141 0.000 -4.369) 4.372 ======================= Grid point 96 (33/140) ======================= q-point: (-0.33 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -19.373 0.000 15.679) 24.922 1.363 ( -21.486 0.000 18.030) 28.049 1.911 ( 12.362 0.000 5.001) 13.335 2.055 ( 13.191 0.000 15.699) 20.505 2.339 ( -36.332 0.000 14.856) 39.252 2.363 ( 0.208 0.000 -2.960) 2.968 2.475 ( -0.092 0.000 -3.958) 3.959 2.804 ( -4.366 0.000 2.257) 4.914 2.931 ( 7.811 0.000 0.709) 7.843 3.847 ( 22.271 0.000 -4.911) 22.806 3.942 ( 3.034 0.000 5.365) 6.163 4.060 ( 2.626 0.000 14.403) 14.640 4.238 ( 1.705 0.000 0.509) 1.779 4.574 ( -3.441 0.000 -14.601) 15.001 4.795 ( -5.242 0.000 -9.868) 11.174 5.123 ( -1.169 0.000 3.387) 3.583 5.155 ( 2.079 0.000 4.376) 4.844 5.360 ( 1.222 0.000 -5.559) 5.692 5.501 ( 1.359 0.000 6.237) 6.384 5.889 ( 5.755 0.000 0.492) 5.776 6.728 ( -1.843 0.000 0.774) 1.999 6.828 ( -0.718 0.000 2.092) 2.211 7.168 ( 1.742 0.000 -10.354) 10.499 7.473 ( -4.305 0.000 3.174) 5.348 7.654 ( -4.190 0.000 -0.784) 4.263 7.691 ( -1.325 0.000 -17.502) 17.553 8.127 ( -0.281 0.000 2.282) 2.299 8.187 ( -2.114 0.000 4.987) 5.416 8.357 ( -0.826 0.000 -2.302) 2.445 8.399 ( -3.137 0.000 9.553) 10.055 8.710 ( 7.208 0.000 8.758) 11.343 8.810 ( -1.923 0.000 1.300) 2.321 8.967 ( 5.915 0.000 1.542) 6.113 9.156 ( -0.136 0.000 -3.459) 3.462 10.870 ( 0.373 0.000 -2.544) 2.571 10.991 ( 0.820 0.000 -4.201) 4.280 ======================= Grid point 97 (34/140) ======================= q-point: (-0.17 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -16.201 0.000 24.672) 29.516 0.907 ( -22.327 0.000 18.959) 29.290 1.518 ( -36.273 0.000 33.244) 49.203 2.109 ( 6.373 0.000 4.093) 7.575 2.268 ( 5.863 0.000 9.590) 11.240 2.396 ( 2.449 0.000 -8.967) 9.295 2.506 ( 2.761 0.000 -0.173) 2.766 2.748 ( -2.347 0.000 1.974) 3.067 3.090 ( 6.930 0.000 3.376) 7.708 3.999 ( 1.536 0.000 6.370) 6.553 4.054 ( 5.931 0.000 14.438) 15.609 4.193 ( 3.676 0.000 -2.757) 4.596 4.399 ( 12.019 0.000 -0.676) 12.038 4.501 ( -2.558 0.000 -15.250) 15.463 4.638 ( -8.692 0.000 -9.495) 12.872 5.105 ( -0.479 0.000 3.207) 3.243 5.266 ( 9.269 0.000 4.951) 10.509 5.402 ( 2.412 0.000 -5.229) 5.758 5.554 ( 5.058 0.000 11.149) 12.242 6.022 ( 5.744 0.000 1.438) 5.921 6.664 ( -3.622 0.000 -1.746) 4.021 6.835 ( 1.451 0.000 3.532) 3.819 7.117 ( -11.206 0.000 -17.353) 20.656 7.367 ( -5.219 0.000 2.438) 5.760 7.480 ( -8.989 0.000 -5.976) 10.794 7.699 ( 0.494 0.000 -10.802) 10.813 8.126 ( 0.277 0.000 4.370) 4.379 8.130 ( -2.509 0.000 5.758) 6.281 8.331 ( -3.144 0.000 9.464) 9.973 8.371 ( 1.489 0.000 -1.701) 2.261 8.787 ( -0.523 0.000 0.706) 0.879 8.827 ( 2.077 0.000 1.117) 2.358 9.073 ( 3.879 0.000 1.822) 4.285 9.155 ( 0.544 0.000 -1.844) 1.923 10.881 ( 0.640 0.000 -2.585) 2.663 11.008 ( 0.655 0.000 -4.180) 4.231 ======================= Grid point 98 (35/140) ======================= q-point: ( 0.00 0.08 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -2.271 16.761 18.892) 25.358 0.799 ( 0.541 16.228 22.096) 27.421 1.487 ( -2.008 32.709 34.914) 47.884 2.217 ( -1.649 4.803 0.107) 5.079 2.391 ( -0.080 6.430 -0.167) 6.433 2.508 ( 3.244 4.728 -7.720) 9.616 2.610 ( 0.913 5.105 9.253) 10.607 2.735 ( -2.220 4.604 -1.181) 5.246 3.181 ( -0.758 2.074 5.521) 5.946 3.964 ( -0.215 1.079 2.019) 2.300 4.160 ( -0.119 -2.092 -1.033) 2.336 4.380 ( 5.197 -0.441 6.179) 8.086 4.449 ( -0.298 -3.033 -10.233) 10.677 4.473 ( 0.807 -3.253 -12.130) 12.584 4.533 ( -0.376 2.038 0.677) 2.180 5.097 ( 0.785 0.679 2.156) 2.393 5.407 ( 1.743 -1.459 -2.607) 3.458 5.417 ( 0.668 -1.864 -3.202) 3.765 5.979 ( 11.607 3.370 3.516) 12.587 6.066 ( -1.205 -0.871 1.815) 2.347 6.522 ( -12.835 -1.560 2.326) 13.137 6.652 ( 1.027 1.565 -3.282) 3.778 6.899 ( 0.269 0.826 5.409) 5.478 7.348 ( -2.216 -2.067 -3.292) 4.474 7.427 ( -1.538 8.367 -8.702) 12.170 7.693 ( 1.834 -2.416 -10.106) 10.551 8.075 ( -0.270 -5.777 5.159) 7.750 8.130 ( 0.596 0.520 5.565) 5.621 8.257 ( -1.385 -1.109 7.827) 8.026 8.379 ( 1.442 -2.190 1.468) 3.005 8.504 ( -1.355 -8.909 10.786) 14.055 8.942 ( -4.945 5.803 -8.038) 11.079 9.110 ( -0.444 -0.999 1.627) 1.960 9.160 ( 0.458 -1.108 -0.582) 1.332 10.847 ( 0.195 -4.392 -1.687) 4.710 11.013 ( -0.178 -0.073 -4.048) 4.053 ======================= Grid point 99 (36/140) ======================= q-point: ( 0.17 0.08 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 15.439 11.645 18.363) 26.667 1.025 ( 19.697 14.372 13.814) 28.024 1.730 ( 24.427 27.119 25.946) 44.781 2.138 ( -5.536 5.343 0.079) 7.694 2.355 ( -4.011 6.514 5.086) 9.187 2.544 ( 0.104 1.701 -5.195) 5.468 2.596 ( -0.876 5.183 4.138) 6.690 2.721 ( 0.609 4.968 -2.735) 5.704 3.046 ( -10.973 4.045 6.790) 13.523 3.952 ( -1.350 1.568 0.647) 2.168 4.134 ( -2.982 -2.167 -0.214) 3.693 4.377 ( -5.424 -5.655 -2.469) 8.215 4.431 ( -4.004 5.068 7.872) 10.182 4.486 ( -0.165 -3.530 -7.950) 8.700 4.561 ( 5.764 -3.818 -11.984) 13.835 5.119 ( 1.075 1.524 1.520) 2.406 5.369 ( -4.909 -0.649 1.297) 5.119 5.414 ( -1.133 -1.747 -2.773) 3.468 5.715 ( -14.058 5.885 11.884) 19.326 6.033 ( -6.424 3.526 1.521) 7.484 6.594 ( 5.825 -5.908 -2.274) 8.602 6.809 ( 7.018 -3.786 -3.907) 8.880 6.977 ( 8.045 1.174 -0.196) 8.133 7.372 ( 1.931 0.322 -5.008) 5.377 7.424 ( 4.624 4.229 -10.986) 12.648 7.749 ( 2.553 -3.114 -7.632) 8.629 8.060 ( -0.631 -6.076 3.337) 6.961 8.155 ( 1.209 0.379 5.579) 5.721 8.256 ( 1.551 -1.282 8.525) 8.759 8.398 ( 0.002 -3.019 3.450) 4.584 8.478 ( -0.108 -2.795 10.253) 10.628 8.847 ( -3.058 5.483 -5.835) 8.571 9.065 ( -3.373 -1.652 0.787) 3.837 9.170 ( 0.186 0.315 -0.345) 0.503 10.846 ( -0.333 -4.381 -1.484) 4.638 11.002 ( -0.796 -0.146 -4.191) 4.268 ======================= Grid point 100 (37/140) ======================= q-point: ( 0.33 0.08 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 18.587 10.292 11.569) 24.192 1.441 ( 19.591 12.592 13.625) 26.981 1.980 ( -10.209 5.821 4.052) 12.431 2.182 ( -7.426 7.823 8.840) 13.946 2.368 ( 22.494 12.922 10.238) 27.889 2.541 ( 2.260 1.348 4.327) 5.065 2.586 ( 0.075 2.433 -0.780) 2.556 2.736 ( -0.425 3.049 -3.629) 4.759 2.862 ( -0.634 8.515 0.841) 8.580 3.875 ( -12.894 -0.325 -0.631) 12.913 3.953 ( -9.558 1.438 -0.049) 9.666 4.231 ( -3.359 3.522 11.330) 12.331 4.318 ( -7.209 -0.461 5.839) 9.289 4.540 ( 3.361 -3.595 -11.923) 12.899 4.688 ( 6.056 -4.579 -12.996) 15.051 5.137 ( 0.481 1.572 1.627) 2.313 5.261 ( -3.950 2.995 4.925) 6.988 5.380 ( -1.835 -1.824 -3.595) 4.429 5.563 ( -2.965 5.321 6.287) 8.754 5.905 ( -5.196 2.763 0.434) 5.901 6.677 ( 2.888 -3.510 0.752) 4.607 6.837 ( -0.974 -3.939 2.076) 4.558 7.117 ( 3.460 2.286 -9.139) 10.036 7.417 ( 3.539 -0.082 -1.678) 3.918 7.568 ( 5.935 -1.871 -10.133) 11.891 7.766 ( -0.720 -2.874 -5.869) 6.574 8.070 ( 1.323 -6.043 0.855) 6.245 8.165 ( -0.178 -2.083 4.831) 5.264 8.315 ( 3.371 -3.950 7.757) 9.335 8.399 ( 0.236 -3.499 4.611) 5.793 8.488 ( 0.525 -1.195 9.089) 9.182 8.817 ( -0.150 3.093 -3.204) 4.456 8.989 ( -3.288 0.519 0.505) 3.367 9.171 ( 0.073 1.404 -1.652) 2.169 10.835 ( -0.558 -4.257 -1.477) 4.541 10.985 ( -0.658 -0.172 -4.187) 4.241 ======================= Grid point 101 (38/140) ======================= q-point: (-0.50 0.08 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 3.233 6.845 7.489) 10.649 1.708 ( -1.545 7.232 9.141) 11.758 1.798 ( 4.757 10.108 11.477) 16.016 1.953 ( -4.633 12.508 13.293) 18.831 2.406 ( -3.924 0.238 -0.641) 3.983 2.538 ( -1.312 5.014 -1.249) 5.332 2.740 ( -0.219 2.673 -1.022) 2.870 2.768 ( 5.215 2.908 2.238) 6.376 3.198 ( 14.031 10.334 5.721) 18.340 3.401 ( -13.227 1.697 -1.814) 13.459 3.902 ( 0.012 1.386 2.202) 2.602 4.187 ( -3.783 6.375 10.610) 12.943 4.211 ( -0.188 -0.993 4.690) 4.798 4.576 ( -0.115 -3.995 -12.022) 12.669 4.778 ( 1.888 -5.137 -11.783) 12.992 5.131 ( -0.939 1.029 1.745) 2.232 5.220 ( -0.522 4.087 3.246) 5.245 5.347 ( -1.036 -1.360 -4.743) 5.042 5.540 ( 0.259 5.560 5.427) 7.774 5.843 ( -0.264 1.883 -0.165) 1.909 6.718 ( 1.038 -1.880 2.059) 2.975 6.815 ( -0.932 -3.326 2.418) 4.216 7.157 ( 1.272 3.047 -10.176) 10.698 7.475 ( 0.893 -3.030 0.637) 3.222 7.646 ( 2.160 -0.165 -3.602) 4.203 7.737 ( -2.135 -3.555 -10.674) 11.451 8.089 ( 0.206 -4.204 1.128) 4.358 8.157 ( -0.434 -4.803 4.309) 6.467 8.356 ( 0.441 -7.230 4.985) 8.793 8.403 ( -0.230 -1.463 4.612) 4.844 8.492 ( -0.451 -3.830 10.026) 10.742 8.830 ( 1.469 -0.516 -1.608) 2.239 8.964 ( 1.385 5.266 1.667) 5.694 9.174 ( 0.181 1.660 -2.826) 3.283 10.826 ( -0.221 -4.161 -1.652) 4.482 10.979 ( 0.173 -0.140 -4.034) 4.040 ======================= Grid point 103 (39/140) ======================= q-point: (-0.33 0.08 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -18.919 7.096 13.557) 24.333 1.501 ( -19.954 10.205 13.281) 26.051 1.996 ( 12.018 7.679 4.160) 14.856 2.186 ( 12.570 12.728 13.833) 22.613 2.375 ( 0.913 1.774 -5.275) 5.640 2.441 ( -26.758 9.587 10.408) 30.269 2.539 ( -3.797 6.362 0.214) 7.412 2.832 ( -0.863 2.391 2.124) 3.313 2.973 ( 1.716 5.168 1.426) 5.629 3.826 ( 20.626 -2.608 -4.828) 21.344 3.932 ( 3.302 2.157 2.612) 4.731 4.155 ( 0.851 3.061 2.911) 4.310 4.251 ( 4.476 5.001 10.757) 12.679 4.537 ( -3.161 -3.586 -12.832) 13.694 4.748 ( -4.794 -4.853 -9.634) 11.805 5.109 ( -1.070 0.754 1.872) 2.284 5.229 ( 1.841 4.190 2.416) 5.176 5.348 ( 1.130 -1.122 -5.483) 5.710 5.564 ( 2.151 6.541 6.971) 9.798 5.903 ( 5.631 1.322 0.348) 5.795 6.721 ( -0.927 -1.167 1.867) 2.389 6.793 ( -1.397 -2.509 1.577) 3.277 7.165 ( -1.305 -0.655 -8.465) 8.590 7.453 ( -2.148 -1.862 0.209) 2.850 7.641 ( -4.890 -1.769 -2.343) 5.704 7.692 ( -0.259 -0.494 -14.294) 14.305 8.083 ( -0.600 -3.703 2.916) 4.751 8.148 ( -0.498 -5.540 5.020) 7.493 8.341 ( -2.069 -0.376 -0.022) 2.103 8.389 ( -0.805 -2.226 7.503) 7.868 8.478 ( -0.098 -12.551 10.609) 16.435 8.887 ( 3.888 0.551 -1.031) 4.060 9.029 ( 3.977 4.728 2.260) 6.578 9.173 ( -0.424 1.458 -3.444) 3.764 10.828 ( 0.356 -4.163 -1.871) 4.578 10.991 ( 0.851 -0.081 -3.868) 3.962 ======================= Grid point 104 (40/140) ======================= q-point: (-0.17 0.08 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -14.718 10.901 19.343) 26.638 1.064 ( -21.819 12.382 13.577) 28.526 1.798 ( -26.771 24.486 27.852) 45.738 2.181 ( 5.432 6.103 2.884) 8.664 2.363 ( 3.796 9.592 5.574) 11.725 2.426 ( 3.956 3.775 -6.887) 8.794 2.559 ( 2.843 4.715 0.386) 5.519 2.790 ( -2.532 4.290 1.850) 5.314 3.099 ( 6.908 1.442 3.153) 7.729 3.957 ( 1.201 0.092 3.814) 4.000 4.123 ( 5.523 -1.743 -3.869) 6.964 4.219 ( 6.340 3.981 4.923) 8.960 4.409 ( 7.447 0.803 0.932) 7.548 4.480 ( -0.373 -0.064 -8.744) 8.753 4.599 ( -8.439 -4.025 -9.079) 13.033 5.093 ( -0.357 0.415 2.339) 2.402 5.313 ( 5.906 2.004 -0.267) 6.243 5.385 ( 2.121 -1.388 -4.738) 5.374 5.660 ( 8.859 9.111 9.569) 15.908 6.034 ( 5.574 1.059 1.653) 5.910 6.670 ( -3.683 0.098 -1.198) 3.874 6.762 ( -2.183 -5.404 1.683) 6.066 7.051 ( -10.640 -4.003 -4.505) 12.228 7.416 ( -1.828 -0.090 -3.075) 3.579 7.494 ( -6.966 2.098 -7.359) 10.348 7.686 ( -0.517 -0.761 -11.139) 11.177 8.074 ( -0.084 -4.258 5.022) 6.585 8.135 ( -0.741 -2.705 5.268) 5.968 8.295 ( -2.056 -0.914 4.837) 5.334 8.366 ( -0.656 -1.360 3.910) 4.192 8.500 ( 1.425 -13.737 9.604) 16.822 8.968 ( 2.830 2.107 -2.747) 4.472 9.095 ( 1.722 1.840 0.450) 2.560 9.160 ( -0.462 0.471 -2.431) 2.519 10.839 ( 0.579 -4.266 -1.914) 4.712 11.008 ( 0.653 -0.052 -3.879) 3.934 ======================= Grid point 105 (41/140) ======================= q-point: ( 0.00 0.15 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -1.494 21.334 11.049) 24.071 1.243 ( 1.091 26.086 6.412) 26.885 2.151 ( 0.369 33.642 21.066) 39.695 2.315 ( -1.458 5.486 -2.435) 6.177 2.513 ( 0.463 4.951 -3.979) 6.369 2.626 ( -0.468 6.764 -5.539) 8.755 2.772 ( 0.446 11.568 11.196) 16.105 2.864 ( -1.532 8.164 -1.794) 8.499 3.285 ( 0.660 9.755 4.330) 10.693 3.969 ( 0.641 -4.969 -6.649) 8.325 4.096 ( 1.516 -3.794 -2.301) 4.689 4.309 ( -6.294 -4.415 -6.405) 10.007 4.364 ( 3.271 -4.629 -8.811) 10.476 4.389 ( 2.248 -3.315 -4.706) 6.180 4.678 ( -0.289 9.686 10.552) 14.326 5.140 ( 1.094 3.632 -0.842) 3.886 5.347 ( 0.421 -4.285 -2.565) 5.011 5.406 ( 0.922 0.540 -5.490) 5.593 6.024 ( -1.759 1.413 5.553) 5.994 6.042 ( 3.070 -1.227 3.169) 4.580 6.500 ( -5.039 -1.033 1.857) 5.469 6.680 ( 1.345 1.416 -3.613) 4.107 6.914 ( 0.541 0.917 4.762) 4.879 7.283 ( -1.639 -4.359 -2.795) 5.431 7.496 ( 1.040 -1.526 -8.453) 8.653 7.676 ( -0.956 1.166 -9.915) 10.029 7.923 ( -0.416 -8.882 5.695) 10.559 8.092 ( 1.631 -4.385 6.046) 7.645 8.245 ( -1.770 -3.040 6.216) 7.142 8.344 ( 0.939 0.838 2.601) 2.889 8.367 ( 2.369 -6.182 9.600) 11.661 8.997 ( -2.536 0.395 -5.082) 5.693 9.082 ( -0.770 -1.558 0.665) 1.861 9.150 ( -0.180 0.113 -3.101) 3.108 10.736 ( 0.165 -6.530 0.188) 6.534 11.008 ( -0.217 -0.511 -3.454) 3.498 ======================= Grid point 106 (42/140) ======================= q-point: ( 0.17 0.15 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 13.265 17.628 9.879) 24.172 1.397 ( 12.298 22.269 7.127) 26.419 2.255 ( -3.197 6.858 0.500) 7.583 2.332 ( 13.990 31.981 15.964) 38.384 2.494 ( -1.825 5.770 -1.608) 6.262 2.604 ( -1.379 5.367 -4.513) 7.146 2.726 ( -3.961 7.802 5.643) 10.412 2.853 ( -0.169 8.474 -2.146) 8.744 3.181 ( -9.030 9.916 4.529) 14.156 3.984 ( -0.124 -2.293 -5.293) 5.769 4.099 ( -2.262 0.159 -2.709) 3.533 4.220 ( -2.421 -7.768 -4.174) 9.145 4.404 ( -0.097 -3.566 -5.080) 6.207 4.442 ( 3.852 -5.979 -9.008) 11.478 4.619 ( -4.489 9.669 10.329) 14.844 5.169 ( 1.344 3.603 -0.873) 3.943 5.322 ( -2.302 -3.833 -1.309) 4.659 5.403 ( -1.242 0.606 -4.478) 4.686 5.805 ( -9.750 3.676 6.613) 12.342 6.087 ( -4.411 1.677 3.284) 5.749 6.498 ( 4.351 -3.600 -1.676) 5.891 6.765 ( 3.364 -1.208 -0.822) 3.668 6.995 ( 6.700 0.830 2.557) 7.220 7.315 ( 4.979 -4.808 -5.783) 9.020 7.500 ( -1.070 1.818 -8.665) 8.919 7.675 ( 1.042 -3.721 -6.400) 7.476 7.913 ( -0.660 -8.706 5.535) 10.338 8.114 ( 0.465 -3.951 5.589) 6.860 8.225 ( -0.405 -4.446 5.544) 7.118 8.357 ( 0.427 0.811 4.757) 4.844 8.410 ( 1.822 -4.424 9.253) 10.417 8.910 ( -4.409 0.730 -5.880) 7.386 9.049 ( -2.024 0.330 -1.658) 2.637 9.170 ( 1.314 -0.296 -1.218) 1.816 10.736 ( -0.252 -6.493 0.345) 6.507 10.996 ( -0.855 -0.555 -3.569) 3.711 ======================= Grid point 107 (43/140) ======================= q-point: ( 0.33 0.15 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 16.846 15.079 6.985) 23.664 1.712 ( 17.269 15.326 8.909) 24.748 2.132 ( -8.621 9.227 3.211) 13.029 2.367 ( -8.443 10.044 3.458) 13.569 2.507 ( -3.219 1.855 -4.091) 5.526 2.645 ( -2.848 3.792 1.241) 4.902 2.766 ( 8.963 13.568 6.059) 17.353 2.871 ( 8.322 16.889 3.488) 19.149 3.041 ( 0.345 9.268 -2.254) 9.544 3.894 ( -11.192 2.219 0.137) 11.411 4.010 ( -4.649 3.568 -4.737) 7.535 4.162 ( -2.355 -5.445 0.959) 6.010 4.403 ( -1.528 -1.825 -1.449) 2.787 4.478 ( -0.161 0.518 -0.657) 0.852 4.591 ( 3.178 -1.638 -4.386) 5.659 5.184 ( 0.041 3.123 -0.355) 3.143 5.281 ( -1.170 -1.281 0.440) 1.790 5.364 ( -2.171 0.838 -4.279) 4.871 5.683 ( -2.314 6.561 4.958) 8.543 5.966 ( -5.652 3.128 1.218) 6.573 6.601 ( 4.789 -3.929 0.188) 6.198 6.776 ( -1.286 -2.049 1.879) 3.063 7.143 ( 6.199 0.449 -3.663) 7.214 7.425 ( 1.908 -0.328 -5.844) 6.156 7.489 ( 2.777 -5.893 -8.896) 11.026 7.683 ( -0.821 -5.173 -2.245) 5.699 7.913 ( 0.958 -9.347 5.794) 11.039 8.112 ( -0.751 -2.819 4.333) 5.223 8.208 ( -1.405 -7.846 5.391) 9.622 8.376 ( 1.291 0.910 6.005) 6.209 8.442 ( 1.016 -3.177 7.684) 8.377 8.834 ( -2.727 -0.705 -4.468) 5.282 9.021 ( -0.352 1.910 -1.810) 2.655 9.192 ( 0.784 0.582 -1.744) 1.999 10.728 ( -0.441 -6.402 0.338) 6.427 10.978 ( -0.660 -0.584 -3.491) 3.601 ======================= Grid point 108 (44/140) ======================= q-point: (-0.50 0.15 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -9.303 12.092 5.917) 16.363 1.923 ( 11.102 13.194 6.051) 18.274 2.020 ( -4.563 11.830 8.459) 15.242 2.192 ( 5.468 10.366 5.054) 12.763 2.435 ( -2.510 2.365 -3.486) 4.904 2.624 ( -0.016 3.257 -0.482) 3.292 2.762 ( -1.110 2.700 -1.852) 3.457 2.964 ( 0.423 13.675 3.298) 14.073 3.394 ( 22.441 9.422 -2.241) 24.442 3.525 ( -21.482 12.321 5.337) 25.333 3.956 ( -0.603 2.615 -3.531) 4.434 4.135 ( -0.307 -2.618 -0.095) 2.637 4.362 ( -0.968 4.176 5.271) 6.794 4.487 ( 0.325 -2.372 -3.605) 4.328 4.653 ( 1.415 -6.011 -7.465) 9.688 5.172 ( -0.996 2.815 -0.267) 2.998 5.279 ( 0.593 1.655 0.278) 1.780 5.322 ( -1.514 -0.550 -4.222) 4.519 5.687 ( 1.883 8.896 4.694) 10.233 5.887 ( -1.318 2.477 -0.455) 2.842 6.682 ( 2.490 -1.660 2.028) 3.615 6.747 ( -0.778 -3.287 2.694) 4.321 7.215 ( 0.117 2.521 -9.753) 10.074 7.412 ( -0.907 -3.400 -0.030) 3.519 7.572 ( 2.887 -9.499 -11.515) 15.204 7.654 ( -1.517 -3.186 0.043) 3.530 7.945 ( 1.942 -9.789 7.001) 12.190 8.081 ( -2.288 -2.004 2.712) 4.075 8.184 ( -0.269 -9.729 5.127) 11.001 8.390 ( -0.424 -2.178 7.594) 7.911 8.439 ( -1.598 -0.269 4.813) 5.078 8.813 ( 1.162 -1.115 -3.052) 3.451 9.037 ( 1.743 1.930 -0.188) 2.607 9.203 ( 0.295 1.071 -2.619) 2.845 10.720 ( -0.185 -6.333 0.181) 6.338 10.973 ( 0.214 -0.567 -3.293) 3.349 ======================= Grid point 110 (45/140) ======================= q-point: (-0.33 0.15 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -15.816 15.428 7.096) 23.206 1.715 ( -16.933 11.842 8.974) 22.527 2.173 ( 9.686 10.058 4.729) 14.743 2.424 ( 1.492 2.969 -7.269) 7.992 2.459 ( 9.179 13.122 7.546) 17.703 2.609 ( -1.157 6.646 -3.028) 7.395 2.727 ( -5.035 8.243 5.077) 10.912 2.938 ( -2.822 13.032 5.719) 14.509 3.147 ( -8.332 12.378 3.294) 15.280 3.786 ( 13.180 -0.327 -4.827) 14.039 3.986 ( 3.332 0.822 -3.332) 4.783 4.164 ( 3.618 1.477 -1.576) 4.214 4.356 ( -0.649 -2.150 -2.135) 3.099 4.502 ( 2.062 3.354 1.729) 4.300 4.631 ( -3.230 -4.475 -4.358) 7.032 5.152 ( -0.977 3.223 -0.517) 3.408 5.278 ( 0.126 0.791 0.426) 0.908 5.331 ( 1.860 -0.072 -5.647) 5.946 5.731 ( 2.552 9.785 6.564) 12.056 5.932 ( 5.277 1.573 -0.180) 5.509 6.681 ( -1.752 -2.172 3.562) 4.525 6.759 ( 0.527 -1.472 0.965) 1.838 7.137 ( -6.761 -2.137 -5.712) 9.105 7.411 ( 0.100 -2.323 -3.736) 4.401 7.553 ( -4.241 -8.176 -6.550) 11.302 7.657 ( 1.658 -2.994 -6.587) 7.423 7.992 ( 2.437 -7.924 8.654) 11.984 8.018 ( -3.445 -3.025 2.425) 5.187 8.213 ( 2.888 -10.397 5.536) 12.128 8.355 ( -2.591 -4.327 7.958) 9.421 8.390 ( -2.661 3.115 2.872) 5.003 8.876 ( 4.271 -1.107 -1.884) 4.797 9.080 ( 1.967 0.448 0.729) 2.145 9.200 ( -0.655 1.116 -3.272) 3.519 10.721 ( 0.271 -6.366 0.000) 6.372 10.986 ( 0.893 -0.531 -3.160) 3.327 ======================= Grid point 111 (46/140) ======================= q-point: (-0.17 0.15 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -11.318 18.045 10.057) 23.556 1.386 ( -13.593 20.345 7.252) 25.520 2.302 ( -1.742 9.466 5.315) 10.995 2.311 ( -9.261 22.155 10.607) 26.251 2.475 ( 2.862 3.737 -7.589) 8.930 2.638 ( -1.207 9.001 -2.444) 9.405 2.706 ( 5.407 15.659 9.968) 19.334 2.904 ( -1.614 7.385 2.269) 7.892 3.181 ( 6.874 7.991 1.936) 10.717 3.939 ( 3.269 -3.940 -4.431) 6.771 4.058 ( 2.604 -3.815 -4.011) 6.118 4.279 ( 6.214 3.629 -3.406) 7.961 4.334 ( -0.284 -6.736 -8.218) 10.630 4.474 ( -6.985 -6.551 -7.679) 12.275 4.627 ( 4.141 10.297 10.680) 15.403 5.133 ( -0.494 3.522 -0.513) 3.593 5.309 ( 2.489 -2.285 -1.479) 3.688 5.374 ( 2.044 0.773 -6.117) 6.495 5.829 ( 7.666 7.549 6.926) 12.795 6.053 ( 4.641 0.774 2.458) 5.309 6.620 ( -4.695 -4.020 2.721) 6.753 6.728 ( -3.363 0.892 -2.133) 4.081 6.986 ( -6.684 -2.679 0.766) 7.242 7.357 ( -4.833 -5.175 -3.933) 8.100 7.490 ( -0.833 -2.905 -7.227) 7.833 7.685 ( 0.595 -0.333 -9.891) 9.914 7.949 ( -2.504 -6.804 4.830) 8.712 8.048 ( 2.511 -5.255 7.100) 9.183 8.274 ( 1.039 -8.224 8.231) 11.681 8.318 ( 0.354 -4.960 6.401) 8.106 8.342 ( -1.229 3.451 2.519) 4.446 8.967 ( 4.052 -1.009 -1.689) 4.505 9.101 ( -0.287 -1.301 0.200) 1.347 9.176 ( -1.570 0.994 -3.902) 4.321 10.730 ( 0.441 -6.477 -0.005) 6.492 11.003 ( 0.662 -0.509 -3.242) 3.348 ======================= Grid point 112 (47/140) ======================= q-point: ( 0.00 0.23 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.553 21.171 6.147) 22.053 1.728 ( 0.805 23.124 2.827) 23.310 2.390 ( -0.793 3.738 -3.190) 4.978 2.589 ( 0.315 4.225 -0.479) 4.264 2.723 ( 1.644 9.407 -4.788) 10.683 2.760 ( 1.793 16.733 6.858) 18.172 3.015 ( -0.272 10.670 3.926) 11.373 3.059 ( -4.223 16.401 4.974) 17.651 3.573 ( 0.445 19.154 0.249) 19.161 3.779 ( 0.743 -12.170 -5.219) 13.263 3.967 ( 0.912 -9.236 -4.082) 10.139 4.159 ( -1.555 -9.785 -7.151) 12.219 4.264 ( 1.618 -5.218 -2.530) 6.020 4.462 ( -0.532 6.406 -7.305) 9.730 4.846 ( -0.842 6.923 7.555) 10.282 5.237 ( 1.194 6.318 -3.278) 7.217 5.254 ( -0.219 -4.774 -2.319) 5.312 5.446 ( 0.688 3.898 -7.622) 8.589 6.006 ( -4.069 -1.494 3.650) 5.666 6.063 ( 2.644 1.986 5.306) 6.252 6.476 ( -3.179 -1.389 1.102) 3.640 6.698 ( 0.754 -0.095 -4.361) 4.426 6.939 ( 1.413 1.780 3.707) 4.348 7.190 ( -0.627 -4.908 -1.768) 5.255 7.424 ( 1.254 -4.744 -6.531) 8.169 7.670 ( 0.771 -5.294 -5.352) 7.567 7.786 ( -3.682 -2.418 3.811) 5.825 7.978 ( 2.483 -7.077 3.097) 8.114 8.116 ( -1.313 -8.814 6.607) 11.093 8.252 ( 2.830 -5.681 7.653) 9.942 8.413 ( -0.076 4.761 2.547) 5.400 8.973 ( -1.956 -2.444 -2.911) 4.275 9.059 ( 1.007 -0.849 -0.479) 1.402 9.159 ( -1.156 0.608 -4.622) 4.802 10.616 ( 0.163 -5.390 2.486) 5.938 10.987 ( -0.227 -1.806 -2.708) 3.263 ======================= Grid point 113 (48/140) ======================= q-point: ( 0.17 0.23 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 7.969 18.513 5.765) 20.964 1.825 ( 7.871 21.067 4.190) 22.876 2.371 ( -1.285 5.297 -1.868) 5.762 2.571 ( -2.017 3.498 0.097) 4.038 2.688 ( -4.269 4.151 -2.274) 6.374 2.863 ( 0.593 9.377 -1.042) 9.454 2.935 ( -1.044 18.031 8.523) 19.971 3.075 ( 4.999 18.225 0.866) 18.918 3.385 ( -11.540 9.033 -0.981) 14.687 3.923 ( 7.229 0.154 -2.876) 7.781 4.000 ( 1.935 -9.266 -2.663) 9.833 4.105 ( -3.165 -6.315 -7.592) 10.370 4.305 ( 1.657 -6.570 -2.589) 7.254 4.433 ( -2.109 4.021 -6.501) 7.929 4.800 ( -3.153 8.481 7.229) 11.581 5.234 ( -1.051 -3.880 -3.162) 5.114 5.260 ( 0.569 4.750 -1.623) 5.052 5.443 ( -0.947 3.802 -6.780) 7.831 5.866 ( -5.845 2.782 4.126) 7.676 6.106 ( -1.640 0.700 3.259) 3.715 6.447 ( 1.800 -1.909 -1.505) 3.025 6.751 ( 2.396 -0.724 -1.157) 2.758 7.011 ( 5.275 0.758 2.924) 6.079 7.205 ( 2.592 -5.933 -4.097) 7.662 7.465 ( 1.792 -4.887 -5.263) 7.403 7.634 ( -3.564 -2.249 -7.234) 8.372 7.744 ( -0.630 -7.029 7.109) 10.017 8.026 ( 2.134 -5.329 2.242) 6.163 8.079 ( -2.085 -9.001 6.980) 11.580 8.303 ( 1.901 -6.102 8.566) 10.687 8.422 ( 0.880 4.401 2.649) 5.211 8.896 ( -4.454 -1.564 -4.148) 6.284 9.061 ( -1.017 0.353 -2.074) 2.337 9.163 ( 1.377 -0.360 -3.086) 3.398 10.616 ( -0.242 -5.419 2.624) 6.026 10.975 ( -0.877 -1.801 -2.789) 3.434 ======================= Grid point 114 (49/140) ======================= q-point: ( 0.33 0.23 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 14.729 12.599 4.758) 19.957 2.028 ( 11.267 16.659 5.816) 20.935 2.312 ( -4.833 8.787 1.916) 10.210 2.518 ( -6.514 4.832 0.209) 8.113 2.542 ( -6.516 2.112 -3.387) 7.641 2.737 ( -6.957 5.612 2.825) 9.375 2.918 ( -3.120 6.509 -0.100) 7.219 3.192 ( -1.425 6.033 -6.442) 8.940 3.360 ( 14.765 27.139 4.583) 31.234 3.986 ( -3.789 2.730 -0.458) 4.692 4.003 ( -1.211 0.985 -2.703) 3.121 4.058 ( -0.422 -7.254 -6.258) 9.590 4.310 ( -1.300 -5.748 -4.332) 7.314 4.408 ( 0.609 -3.063 -2.908) 4.268 4.741 ( -2.000 11.400 5.814) 12.952 5.228 ( 0.795 -1.487 -3.155) 3.577 5.259 ( -0.630 2.514 -0.627) 2.667 5.408 ( -2.342 3.428 -4.367) 6.026 5.805 ( 0.017 5.979 1.838) 6.255 6.022 ( -4.842 2.893 0.597) 5.672 6.533 ( 5.206 -3.047 -0.554) 6.058 6.759 ( -1.301 -0.010 1.806) 2.226 7.141 ( 6.786 -0.745 -0.117) 6.828 7.284 ( 3.629 -10.482 -7.354) 13.309 7.453 ( -3.239 -1.092 -4.778) 5.875 7.570 ( -1.840 -6.947 -3.457) 7.975 7.748 ( 0.929 -6.612 7.672) 10.171 8.029 ( -2.531 -10.100 5.879) 11.958 8.063 ( 1.071 -2.345 2.689) 3.726 8.324 ( -0.024 -5.566 9.123) 10.687 8.452 ( 1.918 3.390 1.999) 4.378 8.812 ( -3.135 -1.404 -4.557) 5.706 9.040 ( -0.582 0.037 -2.154) 2.231 9.193 ( 1.322 -0.341 -2.585) 2.924 10.608 ( -0.411 -5.456 2.631) 6.071 10.957 ( -0.659 -1.791 -2.650) 3.266 ======================= Grid point 115 (50/140) ======================= q-point: (-0.50 0.23 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -3.591 12.421 3.052) 13.285 2.160 ( 3.296 8.915 4.694) 10.600 2.224 ( -8.664 9.766 4.030) 13.664 2.358 ( 12.402 8.637 3.316) 15.473 2.488 ( -2.281 3.059 -3.181) 4.967 2.665 ( 0.086 1.491 2.210) 2.667 2.852 ( -2.811 6.024 -2.587) 7.133 3.195 ( 1.418 8.668 -4.101) 9.693 3.667 ( 10.482 19.047 0.068) 21.741 3.805 ( -11.444 14.853 1.675) 18.825 3.943 ( -1.716 -3.054 -5.354) 6.398 4.089 ( 2.233 -5.323 -2.280) 6.206 4.273 ( -1.991 -7.042 -5.539) 9.178 4.443 ( 2.234 -4.251 -0.789) 4.866 4.726 ( 0.436 11.839 4.740) 12.760 5.228 ( -1.231 2.912 -2.662) 4.133 5.278 ( 2.806 -0.728 -3.434) 4.493 5.351 ( -2.899 2.762 -0.422) 4.027 5.855 ( 4.347 7.671 0.879) 8.861 5.940 ( -2.755 3.668 -0.784) 4.654 6.637 ( 4.651 -3.284 0.495) 5.715 6.716 ( -2.645 0.200 3.388) 4.303 7.240 ( -2.754 -1.248 -9.478) 9.948 7.300 ( 2.529 -9.107 0.891) 9.493 7.396 ( -1.615 -5.202 -6.815) 8.724 7.554 ( 0.169 -7.517 -1.654) 7.699 7.786 ( 2.819 -6.084 8.496) 10.824 7.988 ( -0.934 -9.885 6.446) 11.838 8.059 ( -1.678 -0.925 0.852) 2.097 8.305 ( -1.782 -5.287 8.211) 9.927 8.480 ( 0.234 3.141 2.009) 3.736 8.787 ( 1.144 -1.579 -3.857) 4.322 9.042 ( 0.644 -1.136 -1.217) 1.785 9.213 ( 0.498 -0.090 -2.789) 2.834 10.602 ( -0.175 -5.458 2.502) 6.007 10.952 ( 0.228 -1.782 -2.429) 3.021 ======================= Grid point 117 (51/140) ======================= q-point: (-0.33 0.23 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -14.363 13.499 3.646) 20.046 1.965 ( -9.493 14.409 5.469) 18.101 2.364 ( 5.425 9.021 3.995) 11.259 2.476 ( 2.211 2.799 -4.680) 5.884 2.672 ( 11.751 7.884 2.039) 14.297 2.696 ( 2.322 2.297 3.029) 4.454 2.816 ( 1.092 4.958 -4.256) 6.625 3.241 ( 3.491 11.540 -1.837) 12.196 3.465 ( -14.985 21.038 6.738) 26.693 3.859 ( 3.247 8.523 -5.512) 10.657 3.943 ( 1.362 -3.937 -4.105) 5.849 4.146 ( 2.611 -7.601 -2.989) 8.575 4.236 ( -0.936 -6.967 -6.973) 9.902 4.480 ( 0.728 -0.485 -1.350) 1.608 4.757 ( 2.658 11.784 6.064) 13.516 5.211 ( -0.165 2.353 -2.787) 3.651 5.283 ( -2.402 0.524 -0.865) 2.606 5.354 ( 3.230 2.516 -4.396) 6.008 5.904 ( 0.127 6.563 2.650) 7.079 5.974 ( 5.771 3.977 0.149) 7.011 6.651 ( -3.678 -1.209 3.937) 5.522 6.719 ( 2.838 -2.681 0.147) 3.907 7.088 ( -8.348 -2.907 -3.863) 9.647 7.330 ( -4.837 -9.420 -5.906) 12.125 7.387 ( 3.344 -3.835 -3.567) 6.214 7.574 ( 1.682 -5.819 -2.910) 6.720 7.856 ( 3.463 -6.415 7.523) 10.476 7.979 ( -3.208 -2.595 6.190) 7.439 8.025 ( 1.879 -7.696 0.231) 7.926 8.259 ( -2.420 -5.255 7.253) 9.278 8.462 ( -1.613 4.037 2.033) 4.799 8.850 ( 4.260 -1.595 -2.402) 5.144 9.059 ( 0.757 -2.132 -0.860) 2.421 9.212 ( -0.575 0.080 -3.040) 3.095 10.602 ( 0.233 -5.434 2.358) 5.928 10.965 ( 0.899 -1.792 -2.338) 3.080 ======================= Grid point 118 (52/140) ======================= q-point: (-0.17 0.23 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -7.799 18.074 5.608) 20.468 1.795 ( -6.521 20.543 3.975) 21.916 2.403 ( -0.116 3.929 -2.178) 4.493 2.555 ( 3.405 4.612 -0.433) 5.749 2.704 ( -0.785 12.337 -5.218) 13.418 2.747 ( 0.820 6.558 5.626) 8.679 2.956 ( 5.959 6.274 0.018) 8.653 3.199 ( -9.020 23.138 9.691) 26.658 3.392 ( 10.065 11.127 -1.092) 15.044 3.863 ( -2.886 -0.279 -5.625) 6.329 3.959 ( 0.135 -6.493 -4.257) 7.765 4.165 ( 0.252 -11.165 -5.388) 12.400 4.248 ( 0.824 -6.754 -5.163) 8.541 4.471 ( -0.814 5.810 -4.705) 7.520 4.824 ( 2.827 9.204 7.368) 12.124 5.217 ( 0.596 4.749 -2.830) 5.560 5.253 ( -0.239 -2.699 -1.346) 3.026 5.415 ( 2.354 3.580 -7.211) 8.388 5.941 ( 3.622 3.886 3.528) 6.377 6.073 ( 2.496 1.837 3.858) 4.949 6.559 ( -4.915 -2.290 2.770) 6.089 6.731 ( -1.902 -1.392 -2.931) 3.761 6.956 ( -3.453 -0.142 1.023) 3.604 7.230 ( -3.697 -7.346 -3.055) 8.773 7.419 ( 0.057 -3.786 -6.199) 7.264 7.624 ( 2.918 -6.093 -3.200) 7.476 7.879 ( -4.754 -0.687 2.732) 5.526 7.924 ( 2.566 -7.434 3.827) 8.746 8.100 ( 3.374 -9.320 5.798) 11.483 8.220 ( -0.704 -5.016 6.920) 8.575 8.428 ( -1.370 4.808 2.196) 5.460 8.940 ( 3.977 -1.835 -1.627) 4.673 9.062 ( -0.574 -2.225 -1.121) 2.557 9.190 ( -1.446 0.399 -3.771) 4.059 10.610 ( 0.403 -5.404 2.348) 5.906 10.983 ( 0.665 -1.806 -2.478) 3.137 ======================= Grid point 119 (53/140) ======================= q-point: ( 0.00 0.31 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -0.079 18.397 3.117) 18.659 2.121 ( 0.789 17.359 2.689) 17.584 2.452 ( -0.015 2.837 -3.527) 4.526 2.659 ( -0.062 2.823 2.340) 3.668 2.797 ( -0.502 2.694 1.326) 3.044 2.982 ( 1.911 5.700 -4.812) 7.700 3.148 ( 1.815 2.723 0.199) 3.279 3.463 ( -4.148 12.621 4.668) 14.081 3.603 ( -0.950 2.654 -0.764) 2.920 3.760 ( -0.710 -10.784 -3.642) 11.404 3.961 ( 3.422 -1.855 -4.621) 6.042 3.987 ( 0.216 13.282 -4.196) 13.931 4.172 ( 1.245 -4.344 -0.055) 4.519 4.541 ( -1.768 1.724 -5.584) 6.106 4.930 ( -0.779 1.848 1.930) 2.784 5.165 ( -1.123 -3.886 -1.212) 4.222 5.392 ( 1.145 8.727 -4.353) 9.819 5.556 ( 0.856 7.042 -8.404) 10.998 5.991 ( -2.553 0.276 1.090) 2.789 6.104 ( 0.417 2.142 3.834) 4.411 6.451 ( -2.858 -1.249 0.351) 3.139 6.657 ( 1.152 -4.228 -3.517) 5.619 6.990 ( 1.184 3.559 2.674) 4.606 7.108 ( 0.552 -3.329 -0.386) 3.397 7.334 ( -0.129 -4.326 -4.842) 6.495 7.493 ( 0.720 -10.844 0.446) 10.877 7.787 ( -3.202 -1.245 2.093) 4.023 7.836 ( 1.270 -6.055 -3.110) 6.925 7.947 ( 0.262 -7.434 5.669) 9.353 8.149 ( 1.567 -4.967 5.734) 7.746 8.509 ( -0.202 5.003 2.128) 5.440 8.916 ( -1.148 -3.289 -2.360) 4.208 9.049 ( 1.212 -0.017 -1.633) 2.034 9.167 ( -1.138 0.123 -4.618) 4.758 10.542 ( 0.134 -2.060 4.298) 4.768 10.933 ( -0.214 -3.921 -1.664) 4.265 ======================= Grid point 120 (54/140) ======================= q-point: ( 0.17 0.31 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 3.264 16.355 3.375) 17.015 2.189 ( 5.416 16.216 3.356) 17.423 2.456 ( 0.246 3.620 -2.294) 4.293 2.640 ( -1.813 3.185 1.335) 3.901 2.736 ( -5.652 1.464 1.602) 6.054 2.972 ( -3.733 3.168 -2.380) 5.444 3.117 ( -3.654 3.191 -0.753) 4.909 3.355 ( -6.018 4.095 -0.350) 7.288 3.617 ( 4.914 14.634 -0.513) 15.446 3.783 ( 2.737 -7.647 -4.241) 9.163 3.977 ( -0.619 -5.568 -3.445) 6.577 4.102 ( 6.918 12.925 -3.020) 14.968 4.192 ( 1.077 -3.637 1.827) 4.210 4.482 ( -4.113 0.718 -5.948) 7.267 4.929 ( 0.683 4.497 1.880) 4.922 5.152 ( 0.224 -3.555 -1.950) 4.061 5.382 ( -1.871 6.849 -3.959) 8.129 5.544 ( -1.995 5.894 -6.028) 8.664 5.926 ( -2.138 3.936 0.233) 4.486 6.124 ( -0.223 1.132 1.333) 1.763 6.424 ( 1.030 -0.507 -1.359) 1.779 6.704 ( 2.647 -4.898 -1.259) 5.708 7.023 ( 2.001 0.734 2.672) 3.417 7.121 ( 1.034 -2.079 -1.261) 2.642 7.355 ( 1.591 -5.975 -3.330) 7.023 7.486 ( -1.656 -10.420 -1.103) 10.609 7.715 ( -2.911 1.028 0.248) 3.097 7.856 ( -0.241 -10.462 1.792) 10.617 7.966 ( 2.080 -3.598 4.072) 5.819 8.184 ( 1.703 -5.956 6.117) 8.706 8.512 ( 0.376 4.700 1.757) 5.031 8.859 ( -3.744 -2.155 -3.545) 5.588 9.059 ( -0.749 -0.308 -1.359) 1.582 9.157 ( 0.551 -0.327 -4.329) 4.376 10.540 ( -0.331 -2.161 4.414) 4.925 10.921 ( -0.850 -3.878 -1.722) 4.327 ======================= Grid point 121 (55/140) ======================= q-point: ( 0.33 0.31 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 7.812 9.323 3.163) 12.568 2.325 ( 7.065 13.414 3.811) 15.632 2.442 ( -2.479 3.942 -0.633) 4.700 2.563 ( -7.076 0.703 0.355) 7.119 2.611 ( -2.999 5.434 0.795) 6.257 2.827 ( -8.884 3.027 1.941) 9.584 3.038 ( -3.609 5.372 -1.279) 6.597 3.287 ( -0.220 4.632 -4.076) 6.174 3.747 ( 5.634 -0.669 -3.059) 6.445 3.857 ( 3.341 -2.906 -4.523) 6.330 3.962 ( 0.240 3.616 -2.485) 4.394 4.193 ( 2.373 -2.598 0.442) 3.546 4.222 ( -0.396 11.927 -1.995) 12.099 4.386 ( -3.331 0.095 -2.080) 3.929 4.948 ( 0.909 9.196 1.648) 9.386 5.186 ( 3.172 -1.871 -2.248) 4.314 5.333 ( -2.365 4.470 -3.662) 6.244 5.480 ( -3.895 3.296 -1.480) 5.313 5.920 ( 1.349 6.326 -3.050) 7.152 6.088 ( -2.387 3.908 -1.241) 4.745 6.487 ( 4.179 -1.709 -0.830) 4.591 6.737 ( 0.223 -3.685 1.601) 4.024 7.067 ( 1.855 -5.569 1.055) 5.964 7.169 ( 3.608 -0.901 -3.014) 4.786 7.380 ( 0.801 -6.935 -1.742) 7.195 7.416 ( -4.910 -7.683 -3.366) 9.719 7.678 ( -0.636 -1.378 2.157) 2.637 7.835 ( -1.313 -9.221 4.413) 10.307 8.022 ( 2.602 -1.958 2.653) 4.201 8.214 ( 0.826 -5.523 6.879) 8.860 8.524 ( 0.837 3.748 0.583) 3.885 8.781 ( -3.228 -1.772 -4.393) 5.732 9.030 ( -1.451 -0.686 -1.599) 2.266 9.180 ( 1.262 -1.039 -3.167) 3.564 10.531 ( -0.469 -2.278 4.435) 5.008 10.904 ( -0.639 -3.833 -1.569) 4.191 ======================= Grid point 122 (56/140) ======================= q-point: (-0.50 0.31 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -1.755 -1.134 0.824) 2.246 2.357 ( -1.601 9.104 3.595) 9.918 2.420 ( 0.253 9.088 0.205) 9.094 2.521 ( 5.474 6.164 -0.764) 8.279 2.571 ( -1.555 6.868 2.984) 7.648 2.696 ( -1.194 1.969 3.634) 4.302 2.977 ( -2.164 6.591 -2.308) 7.310 3.317 ( 2.444 4.711 -3.906) 6.590 3.826 ( 2.272 -9.364 -3.072) 10.114 3.874 ( -0.584 -8.381 -4.466) 9.514 4.006 ( 2.165 5.243 -4.838) 7.456 4.094 ( -9.389 9.234 -3.172) 13.546 4.229 ( 0.125 9.351 -0.291) 9.356 4.412 ( 4.670 1.666 2.385) 5.502 4.963 ( 0.537 11.290 1.789) 11.443 5.266 ( 2.970 -0.041 -2.100) 3.638 5.295 ( -0.736 3.761 -5.826) 6.973 5.402 ( -2.742 1.963 2.340) 4.104 5.959 ( 1.628 4.388 -5.565) 7.271 6.059 ( 0.328 7.562 -0.299) 7.575 6.570 ( 3.496 -3.654 -0.148) 5.059 6.714 ( -2.323 -1.701 3.089) 4.223 7.077 ( -1.275 -7.981 -0.948) 8.137 7.246 ( 1.586 -1.948 -4.683) 5.314 7.310 ( -3.184 -4.530 -2.623) 6.127 7.398 ( 1.163 -7.832 -1.291) 8.023 7.689 ( 1.668 -4.548 3.410) 5.924 7.817 ( -0.050 -7.136 4.729) 8.561 8.045 ( -0.851 -0.641 2.320) 2.553 8.208 ( -1.401 -4.459 6.674) 8.148 8.541 ( 0.496 2.983 0.221) 3.032 8.752 ( 0.909 -2.085 -4.225) 4.799 9.012 ( -0.238 -1.388 -1.443) 2.016 9.200 ( 0.586 -1.225 -2.751) 3.068 10.524 ( -0.151 -2.295 4.342) 4.913 10.899 ( 0.214 -3.830 -1.359) 4.070 ======================= Grid point 124 (57/140) ======================= q-point: (-0.33 0.31 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -6.923 7.608 1.708) 10.427 2.255 ( -5.956 14.532 2.914) 15.973 2.484 ( -1.048 3.546 -1.868) 4.143 2.554 ( 5.249 4.214 3.404) 7.544 2.681 ( 5.463 -0.668 0.811) 5.563 2.801 ( 10.553 4.340 3.148) 11.837 2.945 ( -0.966 7.441 -4.527) 8.763 3.378 ( 3.720 4.244 -2.176) 6.049 3.828 ( -6.680 5.475 -0.063) 8.637 3.844 ( -1.913 -3.085 -4.769) 5.993 3.907 ( -2.233 -7.169 -3.854) 8.440 4.061 ( 2.063 -1.166 -4.377) 4.978 4.185 ( -3.898 11.988 -1.569) 12.703 4.516 ( 4.027 2.925 0.902) 5.058 4.969 ( -0.164 8.817 1.639) 8.970 5.246 ( -2.491 1.291 -1.428) 3.148 5.306 ( 0.558 2.355 -2.042) 3.167 5.427 ( 4.246 4.714 -3.864) 7.428 5.975 ( 0.443 3.087 -4.218) 5.245 6.099 ( 2.567 6.925 1.730) 7.585 6.610 ( -1.516 -3.812 1.976) 4.554 6.661 ( -0.962 -3.153 0.599) 3.351 7.022 ( -3.300 -3.443 -1.247) 4.930 7.174 ( -4.283 -4.780 -3.045) 7.104 7.341 ( 1.992 -2.121 -3.638) 4.658 7.428 ( 1.656 -9.122 -0.642) 9.293 7.734 ( 2.148 -5.988 2.443) 6.815 7.849 ( 3.158 -7.118 4.874) 9.187 7.987 ( -4.239 0.109 0.869) 4.329 8.166 ( -2.280 -4.133 6.114) 7.724 8.538 ( -0.655 3.722 0.835) 3.870 8.811 ( 4.103 -2.426 -2.826) 5.542 9.018 ( 0.671 -1.554 -1.882) 2.531 9.203 ( -0.290 -1.031 -2.757) 2.958 10.526 ( 0.311 -2.195 4.226) 4.772 10.911 ( 0.862 -3.875 -1.295) 4.175 ======================= Grid point 125 (58/140) ======================= q-point: (-0.17 0.31 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -3.049 15.704 2.661) 16.217 2.154 ( -3.551 16.315 3.123) 16.986 2.461 ( -0.827 2.426 -3.661) 4.469 2.638 ( 2.349 3.001 3.562) 5.216 2.768 ( 3.067 1.439 2.079) 3.975 2.942 ( 1.025 7.725 -6.302) 10.022 3.029 ( 9.380 1.597 0.793) 9.548 3.475 ( 4.753 1.004 0.920) 4.944 3.645 ( -7.090 19.056 1.010) 20.357 3.804 ( -2.648 -9.300 -2.988) 10.121 3.918 ( 1.481 -12.669 -4.241) 13.442 4.050 ( -4.630 16.023 -5.616) 17.599 4.139 ( 1.352 -3.515 -0.928) 3.879 4.559 ( 0.282 2.809 -2.581) 3.825 4.953 ( -1.207 3.824 1.552) 4.300 5.196 ( -1.997 -2.422 0.064) 3.140 5.345 ( 2.786 7.683 -3.618) 8.937 5.512 ( 3.366 6.189 -7.638) 10.391 5.991 ( 1.125 2.091 -1.196) 2.659 6.127 ( -0.552 3.222 4.035) 5.193 6.525 ( -4.473 -1.533 1.965) 5.120 6.660 ( -0.598 -5.604 -2.673) 6.238 6.978 ( -0.466 1.890 0.859) 2.128 7.112 ( -1.476 -3.912 -1.524) 4.450 7.352 ( -0.769 -3.159 -4.589) 5.624 7.465 ( 1.782 -10.064 0.336) 10.226 7.776 ( 2.037 -7.028 1.906) 7.561 7.891 ( -4.613 0.647 -1.498) 4.893 7.920 ( 2.747 -8.451 4.981) 10.187 8.133 ( -0.490 -4.009 5.995) 7.229 8.521 ( -0.870 4.689 1.661) 5.050 8.893 ( 3.133 -3.112 -1.839) 4.784 9.031 ( 0.563 -0.652 -2.384) 2.535 9.190 ( -0.909 -0.454 -3.470) 3.616 10.535 ( 0.458 -2.078 4.204) 4.711 10.928 ( 0.645 -3.921 -1.447) 4.229 ======================= Grid point 126 (59/140) ======================= q-point: ( 0.00 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 0.166 13.538 1.697) 13.645 2.387 ( 0.458 9.600 1.494) 9.727 2.507 ( 0.508 3.140 -0.394) 3.205 2.684 ( 0.812 -0.587 1.712) 1.983 2.850 ( -1.226 3.263 3.343) 4.830 3.033 ( 0.053 -0.546 -1.337) 1.445 3.121 ( 0.823 -2.394 -5.359) 5.927 3.475 ( -1.957 -5.421 8.940) 10.637 3.547 ( -1.509 -3.595 -3.868) 5.492 3.806 ( 2.965 -6.114 -2.923) 7.397 3.899 ( 2.315 11.209 -2.530) 11.722 4.094 ( 0.327 -3.448 -0.720) 3.538 4.345 ( 0.538 15.539 -6.510) 16.857 4.563 ( -2.464 1.485 -3.322) 4.394 4.947 ( -0.636 0.999 0.114) 1.190 5.101 ( -1.157 -2.836 0.765) 3.157 5.550 ( 0.401 7.420 -5.183) 9.060 5.689 ( 0.170 5.685 -6.363) 8.534 6.023 ( -0.824 2.912 -2.448) 3.893 6.137 ( -0.822 0.945 0.591) 1.385 6.419 ( -1.199 -2.302 -0.180) 2.602 6.560 ( 0.245 -4.861 0.554) 4.898 7.056 ( 2.767 -1.054 0.566) 3.014 7.072 ( -1.174 3.441 1.489) 3.928 7.241 ( -0.820 -6.912 -1.713) 7.168 7.307 ( 0.462 -5.860 -3.440) 6.810 7.678 ( 0.566 -5.540 -0.226) 5.573 7.766 ( -1.491 -4.779 -1.640) 5.268 7.885 ( 0.141 0.766 1.276) 1.495 8.059 ( 0.476 -4.356 3.667) 5.714 8.603 ( -0.178 4.716 1.496) 4.951 8.848 ( -0.402 -3.744 -1.436) 4.030 9.061 ( 0.691 1.244 -2.774) 3.117 9.160 ( -0.828 -0.903 -4.278) 4.450 10.540 ( 0.065 1.739 4.817) 5.122 10.837 ( -0.180 -5.852 -0.100) 5.855 ======================= Grid point 127 (60/140) ======================= q-point: ( 0.17 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -0.500 12.162 2.460) 12.418 2.433 ( 3.578 8.363 0.839) 9.135 2.521 ( 0.368 3.163 0.868) 3.300 2.655 ( -4.286 -2.358 1.140) 5.023 2.784 ( -3.626 4.328 2.524) 6.185 2.987 ( -4.638 -1.012 0.347) 4.759 3.115 ( -0.536 -0.956 -6.812) 6.900 3.436 ( -2.186 -0.274 10.292) 10.525 3.511 ( -0.855 -5.433 -6.123) 8.231 3.824 ( -0.555 -3.523 -2.919) 4.609 4.009 ( 5.079 5.892 -2.785) 8.262 4.087 ( 0.762 -3.000 2.302) 3.858 4.408 ( 4.542 13.410 -6.343) 15.514 4.509 ( -2.554 3.724 -4.152) 6.134 4.981 ( 3.754 1.617 -0.132) 4.090 5.104 ( 1.514 -1.690 -0.148) 2.274 5.509 ( -3.862 6.067 -4.669) 8.575 5.637 ( -4.672 3.190 -3.242) 6.520 6.029 ( 1.310 6.357 -4.484) 7.888 6.143 ( 0.878 0.661 -1.216) 1.639 6.418 ( 1.041 -0.749 -1.425) 1.917 6.579 ( 1.582 -6.563 1.875) 7.007 7.042 ( -1.213 0.667 1.742) 2.225 7.114 ( 2.336 0.827 0.598) 2.550 7.231 ( -0.183 -7.140 -1.603) 7.320 7.311 ( -0.274 -6.245 -3.570) 7.199 7.685 ( -0.364 -6.340 -0.394) 6.363 7.720 ( -2.009 -1.052 -1.070) 2.508 7.921 ( 2.971 -0.792 1.667) 3.498 8.078 ( 1.440 -4.945 3.772) 6.384 8.600 ( -0.249 4.357 0.824) 4.441 8.812 ( -2.872 -2.824 -2.490) 4.735 9.060 ( -0.979 0.590 -1.851) 2.176 9.145 ( -0.267 -1.054 -4.230) 4.367 10.535 ( -0.471 1.602 4.894) 5.171 10.826 ( -0.792 -5.780 -0.144) 5.835 ======================= Grid point 128 (61/140) ======================= q-point: ( 0.33 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -1.243 5.881 2.703) 6.590 2.461 ( -4.393 -0.993 -1.347) 4.701 2.532 ( 3.475 6.993 2.196) 8.111 2.583 ( 0.356 1.631 0.366) 1.709 2.735 ( -1.503 6.804 2.097) 7.276 2.863 ( -6.891 1.331 1.340) 7.145 3.103 ( -0.798 1.391 -4.475) 4.754 3.394 ( -1.048 5.410 7.871) 9.608 3.523 ( 1.397 -11.992 -5.753) 13.374 3.803 ( -1.256 -3.774 -1.605) 4.289 4.000 ( -2.444 -2.526 -2.717) 4.442 4.179 ( 3.182 -3.125 1.046) 4.581 4.456 ( 0.664 12.511 -7.005) 14.354 4.512 ( 2.782 11.033 -2.246) 11.598 5.081 ( 4.980 4.584 -0.126) 6.770 5.166 ( 4.420 -0.180 -0.821) 4.499 5.421 ( -3.711 4.187 -3.781) 6.753 5.519 ( -6.224 0.822 0.345) 6.288 6.058 ( 1.114 7.791 -6.646) 10.301 6.161 ( 0.985 3.275 -2.764) 4.398 6.451 ( 1.819 -2.756 -1.388) 3.582 6.619 ( 1.966 -6.491 3.118) 7.464 7.022 ( -0.843 -0.162 1.264) 1.528 7.163 ( 2.457 -0.512 -0.236) 2.521 7.224 ( -0.422 -6.999 -0.886) 7.068 7.293 ( -1.477 -5.530 -3.600) 6.761 7.641 ( -2.545 -2.880 -2.090) 4.375 7.714 ( 0.304 -2.976 1.648) 3.415 7.992 ( 3.457 -0.839 2.138) 4.151 8.116 ( 1.891 -4.487 4.547) 6.663 8.592 ( -0.409 3.222 -0.804) 3.346 8.743 ( -3.158 -2.157 -3.753) 5.359 9.028 ( -1.662 0.638 -1.294) 2.201 9.151 ( 0.672 -1.976 -3.006) 3.660 10.524 ( -0.543 1.479 4.919) 5.165 10.810 ( -0.616 -5.724 -0.023) 5.757 ======================= Grid point 129 (62/140) ======================= q-point: (-0.50 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -1.757 0.686 1.023) 2.146 2.420 ( 1.771 -1.745 0.769) 2.603 2.579 ( -0.576 6.737 -0.825) 6.812 2.632 ( 3.840 5.464 -0.117) 6.679 2.696 ( -6.190 5.086 1.075) 8.083 2.755 ( 1.845 4.190 4.318) 6.293 3.086 ( -0.649 4.101 -1.803) 4.527 3.400 ( 1.274 4.272 4.076) 6.040 3.553 ( 1.406 -14.363 -3.898) 14.948 3.774 ( -1.600 -4.833 -0.490) 5.114 3.967 ( -0.212 -2.686 -2.542) 3.704 4.151 ( -4.629 -2.994 -4.368) 7.033 4.518 ( 3.347 13.823 -3.349) 14.612 4.542 ( 0.626 10.177 -1.868) 10.366 5.138 ( -0.203 6.722 0.021) 6.725 5.273 ( 5.172 0.858 -1.243) 5.388 5.365 ( -4.355 2.486 -2.949) 5.817 5.425 ( 0.952 0.965 1.784) 2.241 6.067 ( -0.184 6.980 -7.631) 10.343 6.188 ( 1.423 5.089 -2.123) 5.695 6.483 ( 1.178 -5.311 -0.521) 5.465 6.640 ( -0.418 -5.100 3.158) 6.013 7.002 ( -1.075 -0.876 0.220) 1.404 7.179 ( -1.205 -3.412 -0.575) 3.664 7.246 ( 1.621 -3.936 -3.035) 5.228 7.260 ( -0.421 -4.849 -0.822) 4.936 7.613 ( 0.193 -2.635 -1.861) 3.231 7.718 ( 0.249 -3.670 1.690) 4.048 8.036 ( 0.125 -0.156 2.591) 2.599 8.134 ( -0.611 -3.292 4.994) 6.013 8.591 ( 0.404 2.160 -1.624) 2.732 8.709 ( 0.462 -2.276 -4.125) 4.734 9.005 ( -0.378 0.892 -1.052) 1.430 9.164 ( 0.508 -2.478 -2.347) 3.451 10.517 ( -0.085 1.492 4.868) 5.092 10.805 ( 0.175 -5.739 0.142) 5.744 ======================= Grid point 131 (63/140) ======================= q-point: (-0.33 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 1.590 5.134 0.609) 5.409 2.490 ( 0.119 5.848 2.107) 6.217 2.535 ( -0.108 2.327 0.561) 2.397 2.568 ( -3.143 1.367 0.253) 3.437 2.731 ( 4.772 4.675 0.388) 6.692 2.859 ( 6.601 1.807 2.046) 7.143 3.075 ( -0.426 5.566 -2.358) 6.060 3.438 ( 2.271 2.371 3.560) 4.843 3.579 ( 1.067 -14.799 -3.114) 15.161 3.735 ( -1.861 -6.034 0.267) 6.320 3.997 ( 2.789 -2.219 -2.405) 4.299 4.036 ( -5.760 3.625 -6.245) 9.237 4.484 ( -3.957 13.732 -3.655) 14.751 4.600 ( 2.061 5.963 -0.942) 6.379 5.086 ( -4.014 3.983 -0.283) 5.662 5.239 ( -5.402 -1.809 1.344) 5.853 5.393 ( 5.312 5.839 -1.642) 8.062 5.521 ( 6.026 4.384 -3.512) 8.238 6.058 ( -0.537 5.654 -6.652) 8.747 6.206 ( -0.030 3.766 -0.246) 3.774 6.495 ( -0.286 -6.857 0.258) 6.868 6.603 ( -2.581 -3.542 2.110) 4.864 6.985 ( -0.293 -0.324 -0.357) 0.564 7.139 ( -2.130 0.700 -0.721) 2.355 7.243 ( 0.232 -9.134 -0.729) 9.166 7.296 ( 1.273 -2.559 -2.384) 3.722 7.638 ( 1.543 -3.577 -2.020) 4.388 7.734 ( 1.465 -4.803 1.146) 5.151 7.995 ( -3.503 0.648 1.984) 4.077 8.098 ( -2.283 -2.977 4.574) 5.915 8.602 ( 0.525 2.923 -0.595) 3.029 8.758 ( 3.559 -2.904 -2.934) 5.450 9.013 ( 1.018 1.068 -1.885) 2.394 9.171 ( 0.147 -2.292 -2.410) 3.329 10.521 ( 0.451 1.630 4.792) 5.082 10.816 ( 0.796 -5.811 0.192) 5.869 ======================= Grid point 132 (64/140) ======================= q-point: (-0.17 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 1.740 11.336 1.217) 11.533 2.415 ( -3.115 10.176 1.726) 10.781 2.512 ( -1.078 3.261 -1.082) 3.601 2.634 ( 3.986 -3.115 2.765) 5.765 2.820 ( 3.484 3.956 1.448) 5.467 2.993 ( 4.823 -1.685 1.506) 5.326 3.078 ( 1.485 3.859 -5.784) 7.110 3.484 ( 1.565 0.031 8.054) 8.204 3.578 ( -1.508 -12.149 -4.509) 13.046 3.732 ( 2.401 -6.716 -1.344) 7.258 3.930 ( -4.075 9.290 -5.157) 11.380 4.060 ( 2.766 -2.622 -1.839) 4.232 4.391 ( -4.256 14.902 -5.171) 16.337 4.605 ( -1.314 2.715 -1.664) 3.445 4.999 ( -3.892 1.918 -0.200) 4.343 5.147 ( -3.305 -2.717 1.689) 4.600 5.497 ( 4.285 7.533 -3.570) 9.373 5.635 ( 4.526 5.752 -6.153) 9.562 6.044 ( -0.834 3.576 -4.180) 5.564 6.179 ( -2.416 1.836 1.168) 3.252 6.462 ( -2.538 -5.460 0.642) 6.055 6.565 ( -0.826 -3.431 0.695) 3.596 7.000 ( 1.922 0.248 -0.058) 1.939 7.102 ( -1.521 2.599 0.318) 3.028 7.251 ( 0.157 -9.719 -0.340) 9.727 7.303 ( -0.135 -3.146 -3.649) 4.820 7.663 ( 0.912 -4.381 -1.366) 4.678 7.767 ( 1.175 -6.408 -0.073) 6.515 7.920 ( -3.198 1.485 1.039) 3.676 8.062 ( -0.962 -3.447 4.148) 5.478 8.607 ( -0.093 4.196 0.886) 4.290 8.826 ( 2.441 -3.645 -1.655) 4.689 9.039 ( 1.327 1.376 -2.901) 3.475 9.170 ( -0.191 -1.568 -3.245) 3.609 10.533 ( 0.529 1.754 4.767) 5.107 10.832 ( 0.616 -5.868 0.071) 5.901 ======================= Grid point 133 (65/140) ======================= q-point: ( 0.00 0.46 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.770 7.489 0.240) 7.532 2.490 ( 0.491 1.805 -0.635) 1.975 2.561 ( -0.314 2.155 3.772) 4.355 2.631 ( 0.080 -4.459 3.024) 5.388 2.930 ( -0.904 4.419 1.277) 4.688 2.994 ( 0.280 -2.345 0.149) 2.367 3.135 ( -0.684 4.049 -2.582) 4.851 3.280 ( -1.934 -10.081 1.494) 10.373 3.603 ( 2.030 4.668 4.034) 6.495 3.697 ( 3.411 -5.040 1.907) 6.378 4.017 ( 0.745 2.150 -5.415) 5.874 4.045 ( -0.034 -1.631 -3.029) 3.440 4.553 ( -0.091 5.945 -6.181) 8.577 4.596 ( -1.442 0.795 -4.390) 4.689 4.990 ( -0.807 3.221 0.706) 3.395 5.050 ( -0.758 -2.715 1.254) 3.085 5.679 ( -0.411 5.715 -4.341) 7.189 5.745 ( -0.945 -0.348 -4.429) 4.542 6.084 ( 0.105 2.841 -3.679) 4.650 6.129 ( -1.128 -1.731 -2.507) 3.249 6.397 ( 0.437 1.493 0.330) 1.590 6.470 ( -0.119 -4.833 2.266) 5.339 7.039 ( 0.877 0.471 0.360) 1.059 7.087 ( -0.269 -4.160 -0.848) 4.254 7.173 ( -0.146 3.180 -0.565) 3.233 7.239 ( -0.448 -3.068 -3.092) 4.379 7.625 ( 0.179 0.272 -2.866) 2.885 7.674 ( 0.177 -4.159 -2.538) 4.875 7.921 ( -0.481 2.604 0.673) 2.732 7.981 ( -0.153 -3.582 1.809) 4.015 8.691 ( -0.107 4.353 0.681) 4.407 8.772 ( -0.111 -4.069 -0.314) 4.083 9.094 ( 0.111 2.025 -3.476) 4.025 9.133 ( -0.411 -1.829 -3.911) 4.337 10.605 ( -0.029 4.830 3.840) 6.171 10.716 ( -0.118 -6.340 1.918) 6.625 ======================= Grid point 134 (66/140) ======================= q-point: ( 0.17 0.46 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -3.077 8.319 2.243) 9.149 2.529 ( 2.633 2.687 -0.603) 3.810 2.550 ( -2.843 -2.266 3.112) 4.785 2.574 ( -2.350 -3.736 1.213) 4.577 2.889 ( -2.115 5.490 0.912) 5.953 2.963 ( -2.908 -1.961 -0.025) 3.508 3.128 ( -0.138 3.251 -2.567) 4.145 3.257 ( -0.274 -9.544 0.976) 9.598 3.608 ( -1.426 7.001 5.391) 8.951 3.733 ( -0.124 -5.649 3.657) 6.730 4.024 ( -1.214 0.282 -4.605) 4.771 4.058 ( 1.865 -2.286 -3.194) 4.348 4.590 ( 2.968 4.975 -6.482) 8.693 4.602 ( 2.264 3.486 -4.776) 6.331 5.021 ( 3.867 2.761 0.190) 4.755 5.071 ( 3.004 -2.039 0.672) 3.692 5.611 ( -5.540 4.277 -3.674) 7.905 5.662 ( -6.187 -0.699 -3.093) 6.952 6.127 ( 3.214 2.661 -4.530) 6.159 6.147 ( 2.417 -0.187 -3.298) 4.093 6.407 ( 0.358 1.543 -0.912) 1.828 6.480 ( 1.129 -4.509 2.320) 5.195 7.043 ( -0.379 0.429 0.523) 0.775 7.088 ( 0.272 -4.131 -0.306) 4.151 7.171 ( 0.124 2.313 -0.544) 2.379 7.229 ( -0.596 -3.297 -3.051) 4.532 7.630 ( 0.108 0.443 -2.797) 2.834 7.674 ( -0.240 -3.164 -2.618) 4.113 7.936 ( 1.974 2.144 1.163) 3.138 7.994 ( 1.470 -3.714 1.993) 4.464 8.679 ( -1.039 3.902 -0.118) 4.039 8.751 ( -1.936 -3.450 -1.202) 4.135 9.083 ( -1.123 1.624 -2.748) 3.384 9.117 ( -0.855 -1.738 -3.593) 4.082 10.598 ( -0.607 4.697 3.864) 6.112 10.707 ( -0.713 -6.236 1.897) 6.557 ======================= Grid point 135 (67/140) ======================= q-point: ( 0.33 0.46 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -6.219 5.063 2.675) 8.454 2.407 ( -6.376 -4.240 1.469) 7.797 2.605 ( 3.758 1.647 -1.073) 4.241 2.615 ( 3.778 0.832 -0.200) 3.874 2.850 ( -1.901 4.454 0.918) 4.929 2.888 ( -4.226 0.550 0.371) 4.278 3.131 ( 0.516 3.176 -1.268) 3.459 3.263 ( 0.759 -10.090 2.316) 10.380 3.567 ( -2.135 7.825 4.448) 9.250 3.707 ( -1.908 -6.318 4.068) 7.753 3.989 ( -1.758 2.246 -4.062) 4.963 4.075 ( -0.364 -5.947 -2.857) 6.608 4.652 ( 3.018 6.054 -5.924) 8.992 4.669 ( 3.050 4.143 -5.356) 7.426 5.141 ( 7.182 2.213 0.113) 7.516 5.168 ( 5.751 -0.310 0.467) 5.779 5.483 ( -5.863 2.334 -2.132) 6.661 5.517 ( -7.330 -1.010 -1.347) 7.521 6.186 ( 2.143 3.793 -5.286) 6.850 6.206 ( 2.710 1.159 -4.116) 5.063 6.412 ( 0.223 1.477 -1.052) 1.827 6.509 ( 1.252 -6.008 1.623) 6.348 7.032 ( -0.637 1.623 -0.128) 1.748 7.094 ( 0.351 -4.491 0.622) 4.548 7.183 ( 1.042 0.615 -0.420) 1.281 7.212 ( -0.994 -2.603 -2.184) 3.540 7.620 ( -0.991 1.151 -3.408) 3.732 7.665 ( -0.566 -2.758 -2.188) 3.566 7.997 ( 3.363 1.359 2.139) 4.211 8.042 ( 2.752 -3.177 2.886) 5.099 8.649 ( -1.694 2.725 -1.884) 3.720 8.699 ( -2.664 -2.465 -2.814) 4.593 9.057 ( -1.091 2.215 -1.612) 2.949 9.105 ( -0.190 -2.625 -2.353) 3.531 10.584 ( -0.587 4.605 3.900) 6.063 10.692 ( -0.602 -6.172 1.969) 6.506 ======================= Grid point 136 (68/140) ======================= q-point: (-0.50 0.46 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -1.022 4.807 1.500) 5.138 2.338 ( 0.179 -5.848 1.231) 5.979 2.669 ( 0.851 2.853 -1.260) 3.233 2.692 ( 2.724 0.633 -1.339) 3.101 2.793 ( -3.898 4.209 0.418) 5.752 2.820 ( 0.119 1.556 1.652) 2.273 3.148 ( 1.041 3.826 0.551) 4.003 3.286 ( 1.324 -10.538 3.396) 11.151 3.529 ( -1.423 6.789 2.508) 7.377 3.663 ( -2.319 -6.613 3.561) 7.861 3.968 ( 0.083 2.779 -3.621) 4.566 4.056 ( -1.148 -5.584 -3.644) 6.766 4.698 ( 0.905 5.270 -5.076) 7.373 4.708 ( 0.586 4.529 -5.439) 7.102 5.232 ( -1.383 3.438 0.009) 3.706 5.279 ( 1.947 -1.108 0.606) 2.321 5.395 ( -1.136 2.031 0.019) 2.327 5.435 ( 3.314 -0.950 -1.072) 3.611 6.208 ( -0.105 5.921 -6.164) 8.548 6.246 ( 1.048 0.999 -3.582) 3.863 6.415 ( 0.019 0.435 -0.280) 0.518 6.518 ( -0.503 -7.530 0.960) 7.608 7.018 ( -0.651 2.714 -0.439) 2.825 7.100 ( 0.026 -5.241 0.328) 5.251 7.190 ( -0.600 0.384 -1.187) 1.384 7.215 ( 1.532 -1.774 -0.088) 2.346 7.603 ( -0.284 1.479 -3.919) 4.198 7.654 ( -0.358 -3.211 -2.103) 3.855 8.044 ( 0.508 1.122 2.827) 3.083 8.079 ( 0.159 -2.371 3.640) 4.347 8.629 ( 0.195 1.859 -2.835) 3.395 8.666 ( 0.166 -2.089 -3.588) 4.155 9.044 ( -0.054 2.914 -1.067) 3.104 9.107 ( 0.287 -3.311 -1.677) 3.723 10.578 ( 0.012 4.646 3.912) 6.074 10.686 ( 0.107 -6.211 2.061) 6.545 ======================= Grid point 138 (69/140) ======================= q-point: (-0.33 0.46 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 5.223 6.249 1.081) 8.215 2.408 ( 5.814 -6.786 1.690) 9.094 2.626 ( -3.909 2.932 -0.126) 4.888 2.642 ( -4.463 2.467 1.047) 5.206 2.822 ( 4.128 4.313 -1.380) 6.127 2.871 ( 3.888 -0.641 -0.103) 3.942 3.166 ( 0.364 4.853 1.100) 4.989 3.313 ( 1.132 -10.800 3.440) 11.391 3.514 ( 0.280 4.612 1.399) 4.828 3.620 ( -1.464 -5.886 2.717) 6.646 3.991 ( 1.891 1.472 -3.300) 4.078 4.035 ( -0.804 -2.293 -4.646) 5.243 4.672 ( -2.996 5.702 -4.875) 8.078 4.701 ( -1.439 2.705 -4.471) 5.420 5.145 ( -5.211 2.491 0.045) 5.776 5.193 ( -5.698 -2.583 1.311) 6.392 5.503 ( 6.946 5.049 -0.782) 8.623 5.564 ( 7.168 -0.580 -1.727) 7.395 6.183 ( -2.187 6.108 -6.108) 8.910 6.242 ( -1.536 -0.103 -2.901) 3.284 6.409 ( -0.663 -0.390 0.825) 1.128 6.496 ( -1.188 -7.096 1.071) 7.275 7.009 ( -0.094 2.909 -0.422) 2.941 7.094 ( -0.337 -5.875 -0.471) 5.903 7.183 ( -0.212 2.982 -0.165) 2.994 7.242 ( 0.865 -2.942 -0.993) 3.223 7.609 ( 0.681 0.733 -4.017) 4.140 7.655 ( 0.485 -3.501 -2.380) 4.261 8.014 ( -2.897 1.342 2.353) 3.966 8.048 ( -2.530 -2.197 3.224) 4.650 8.654 ( 1.782 2.518 -1.734) 3.539 8.704 ( 2.792 -2.696 -2.495) 4.614 9.054 ( 0.987 2.968 -1.765) 3.591 9.116 ( 0.626 -3.209 -2.016) 3.841 10.585 ( 0.594 4.781 3.890) 6.192 10.695 ( 0.709 -6.315 2.086) 6.688 ======================= Grid point 139 (70/140) ======================= q-point: (-0.17 0.46 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 4.293 7.352 0.603) 8.535 2.502 ( 0.134 -2.869 -0.255) 2.883 2.568 ( -0.132 1.920 2.623) 3.253 2.591 ( 0.834 0.652 2.813) 3.006 2.901 ( 3.194 3.752 -0.941) 5.017 2.953 ( 3.429 -2.043 -0.074) 3.992 3.157 ( -1.086 5.389 -0.429) 5.514 3.318 ( -1.042 -10.972 2.967) 11.414 3.546 ( 2.638 3.291 2.040) 4.685 3.625 ( 2.382 -4.714 1.390) 5.461 4.019 ( -0.600 1.293 -5.274) 5.463 4.031 ( 1.420 -0.575 -3.012) 3.380 4.596 ( -3.577 6.380 -5.320) 9.044 4.649 ( -3.129 0.597 -4.020) 5.129 5.045 ( -4.127 2.693 0.520) 4.955 5.095 ( -3.545 -2.578 1.572) 4.657 5.629 ( 4.755 5.835 -2.751) 8.014 5.696 ( 5.043 -0.266 -3.591) 6.197 6.124 ( -3.097 4.243 -4.697) 7.046 6.186 ( -3.486 -1.547 -2.690) 4.667 6.395 ( -0.376 0.652 1.227) 1.439 6.478 ( -0.587 -5.876 1.807) 6.176 7.018 ( 0.896 2.112 -0.257) 2.308 7.092 ( -0.049 -5.675 -0.677) 5.715 7.177 ( -0.303 3.923 -0.395) 3.954 7.248 ( -0.239 -3.150 -2.205) 3.852 7.621 ( 0.348 0.295 -3.472) 3.502 7.667 ( 0.526 -4.032 -2.545) 4.797 7.953 ( -2.486 2.037 1.283) 3.461 8.000 ( -1.729 -2.847 2.393) 4.102 8.683 ( 0.876 3.771 -0.011) 3.871 8.755 ( 1.773 -3.660 -0.913) 4.168 9.079 ( 1.196 2.566 -3.015) 4.136 9.130 ( 0.575 -2.512 -3.093) 4.026 10.599 ( 0.574 4.873 3.854) 6.240 10.710 ( 0.595 -6.380 2.014) 6.717 ======================= Grid point 182 (71/140) ======================= q-point: ( 0.00 0.00 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 1.517 0.000 25.476) 25.521 1.312 ( -1.708 0.000 25.481) 25.538 1.953 ( -2.187 0.000 22.582) 22.688 2.058 ( -3.132 0.000 -15.897) 16.203 2.259 ( -2.530 0.000 4.874) 5.492 2.336 ( 3.899 0.000 2.653) 4.716 2.634 ( -0.223 0.000 -0.631) 0.669 3.016 ( -0.831 0.000 26.801) 26.814 3.266 ( 4.008 0.000 0.378) 4.026 4.034 ( -1.627 0.000 -12.296) 12.404 4.113 ( 1.880 0.000 -6.908) 7.159 4.158 ( -8.028 0.000 -16.815) 18.633 4.212 ( 1.974 0.000 -2.189) 2.947 4.425 ( 6.991 0.000 -4.095) 8.103 4.648 ( -0.746 0.000 16.807) 16.824 5.169 ( -0.005 0.000 1.420) 1.420 5.313 ( 1.391 0.000 -6.617) 6.762 5.376 ( 2.391 0.000 -2.608) 3.538 6.018 ( 9.961 0.000 4.284) 10.843 6.091 ( -2.751 0.000 0.477) 2.792 6.568 ( -12.178 0.000 0.656) 12.196 6.592 ( 2.208 0.000 -0.922) 2.393 7.020 ( 4.640 0.000 6.802) 8.234 7.288 ( -3.951 0.000 -5.227) 6.552 7.305 ( -4.315 0.000 2.222) 4.854 7.521 ( 3.716 0.000 -8.247) 9.046 8.223 ( -0.980 0.000 4.214) 4.327 8.273 ( 0.387 0.000 7.848) 7.857 8.390 ( 2.857 0.000 -0.404) 2.886 8.464 ( -1.626 0.000 6.830) 7.021 8.684 ( -4.307 0.000 -1.924) 4.718 8.763 ( -0.547 0.000 -1.831) 1.911 9.167 ( 0.104 0.000 2.155) 2.158 9.187 ( 0.505 0.000 0.817) 0.961 10.839 ( 0.485 0.000 -1.968) 2.027 10.907 ( -0.342 0.000 -5.023) 5.035 ======================= Grid point 183 (72/140) ======================= q-point: ( 0.17 0.00 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 14.611 0.000 21.091) 25.657 1.359 ( 6.177 0.000 20.532) 21.441 2.031 ( 0.328 0.000 -8.221) 8.227 2.121 ( 17.384 0.000 18.233) 25.192 2.233 ( -0.565 0.000 1.151) 1.282 2.385 ( 1.306 0.000 -1.071) 1.689 2.606 ( -1.548 0.000 1.506) 2.159 2.963 ( -4.130 0.000 25.235) 25.571 3.215 ( -9.814 0.000 9.014) 13.325 3.991 ( -0.046 0.000 -6.392) 6.392 4.091 ( -4.597 0.000 -4.386) 6.353 4.096 ( 0.831 0.000 -20.975) 20.991 4.274 ( 3.875 0.000 -12.374) 12.967 4.468 ( -3.208 0.000 -3.231) 4.552 4.609 ( -2.633 0.000 16.260) 16.472 5.172 ( 0.411 0.000 2.087) 2.128 5.313 ( -1.408 0.000 -8.202) 8.322 5.384 ( -1.307 0.000 -1.480) 1.975 5.927 ( -14.101 0.000 8.757) 16.599 5.985 ( -6.161 0.000 -0.828) 6.216 6.641 ( 13.453 0.000 -4.689) 14.247 6.678 ( 4.736 0.000 1.785) 5.061 7.053 ( -2.264 0.000 6.259) 6.655 7.233 ( -0.352 0.000 -8.334) 8.342 7.318 ( 6.002 0.000 2.598) 6.540 7.627 ( 5.508 0.000 -6.238) 8.322 8.178 ( -2.665 0.000 3.572) 4.457 8.280 ( -0.051 0.000 5.445) 5.445 8.456 ( 3.474 0.000 2.464) 4.259 8.458 ( 1.113 0.000 4.767) 4.895 8.637 ( 0.093 0.000 3.856) 3.857 8.757 ( -0.133 0.000 -1.033) 1.041 9.126 ( -3.815 0.000 1.595) 4.135 9.163 ( -2.343 0.000 0.265) 2.358 10.841 ( -0.303 0.000 -1.896) 1.920 10.893 ( -0.881 0.000 -5.206) 5.280 ======================= Grid point 184 (73/140) ======================= q-point: ( 0.33 0.00 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 11.679 0.000 14.124) 18.327 1.643 ( 18.203 0.000 14.501) 23.273 2.014 ( -3.662 0.000 4.271) 5.626 2.190 ( -4.312 0.000 -2.965) 5.233 2.438 ( 4.794 0.000 -6.670) 8.214 2.452 ( 3.064 0.000 -3.248) 4.465 2.720 ( 20.283 0.000 15.411) 25.474 2.880 ( -2.129 0.000 22.964) 23.063 2.930 ( -15.148 0.000 11.491) 19.013 3.887 ( -15.657 0.000 2.635) 15.877 3.987 ( -0.605 0.000 1.307) 1.440 4.179 ( 5.264 0.000 -24.598) 25.155 4.341 ( -7.495 0.000 -1.242) 7.597 4.366 ( 5.081 0.000 -18.643) 19.323 4.554 ( -2.172 0.000 18.053) 18.183 5.190 ( 1.260 0.000 2.434) 2.741 5.262 ( -3.159 0.000 -9.587) 10.093 5.329 ( -3.950 0.000 1.714) 4.306 5.686 ( -7.452 0.000 9.281) 11.902 5.866 ( -4.763 0.000 -1.182) 4.907 6.760 ( 2.929 0.000 3.396) 4.485 6.856 ( 6.578 0.000 -6.613) 9.328 6.985 ( -3.409 0.000 4.889) 5.960 7.275 ( 3.424 0.000 -13.634) 14.058 7.472 ( 7.263 0.000 3.424) 8.029 7.710 ( 1.831 0.000 -3.051) 3.559 8.146 ( -0.055 0.000 2.354) 2.355 8.270 ( -0.842 0.000 2.436) 2.577 8.510 ( 3.517 0.000 2.962) 4.598 8.511 ( 0.780 0.000 4.689) 4.754 8.672 ( 2.778 0.000 6.753) 7.302 8.766 ( 1.604 0.000 0.116) 1.608 9.026 ( -5.200 0.000 1.344) 5.371 9.109 ( -2.479 0.000 -1.852) 3.094 10.829 ( -0.743 0.000 -1.988) 2.122 10.876 ( -0.550 0.000 -5.164) 5.193 ======================= Grid point 185 (74/140) ======================= q-point: (-0.50 0.00 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 7.152 0.000 8.490) 11.101 1.881 ( -4.786 0.000 11.245) 12.222 1.970 ( -1.715 0.000 9.922) 10.070 2.065 ( 6.059 0.000 2.649) 6.613 2.396 ( -4.540 0.000 -3.167) 5.536 2.478 ( -6.699 0.000 -1.888) 6.960 2.752 ( 3.496 0.000 3.978) 5.296 2.864 ( 2.078 0.000 13.729) 13.885 3.254 ( 23.151 0.000 4.152) 23.521 3.458 ( -23.166 0.000 16.890) 28.669 3.995 ( 1.709 0.000 2.271) 2.842 4.206 ( -4.700 0.000 -1.013) 4.807 4.227 ( -0.847 0.000 -21.791) 21.808 4.475 ( 4.533 0.000 -20.086) 20.591 4.532 ( -0.023 0.000 20.613) 20.613 5.197 ( -2.277 0.000 -7.769) 8.096 5.220 ( 0.998 0.000 0.766) 1.258 5.245 ( -3.142 0.000 3.232) 4.507 5.619 ( 0.133 0.000 7.067) 7.069 5.812 ( 0.237 0.000 -1.301) 1.322 6.793 ( -0.012 0.000 3.162) 3.162 6.926 ( -2.137 0.000 4.559) 5.035 6.950 ( 3.185 0.000 -5.701) 6.530 7.328 ( 1.258 0.000 -15.772) 15.822 7.578 ( 2.178 0.000 3.676) 4.273 7.705 ( -1.959 0.000 -1.376) 2.394 8.165 ( 1.333 0.000 2.396) 2.741 8.253 ( -0.444 0.000 0.171) 0.476 8.465 ( -4.608 0.000 5.307) 7.029 8.573 ( 1.753 0.000 3.688) 4.084 8.744 ( 3.928 0.000 5.946) 7.126 8.824 ( 2.358 0.000 -0.440) 2.399 8.949 ( -0.716 0.000 2.746) 2.838 9.070 ( -1.129 0.000 -4.326) 4.471 10.815 ( -0.450 0.000 -2.141) 2.188 10.874 ( 0.350 0.000 -4.953) 4.965 ======================= Grid point 186 (75/140) ======================= q-point: (-0.33 0.00 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -11.213 0.000 14.885) 18.636 1.654 ( -19.121 0.000 8.976) 21.123 2.048 ( 9.556 0.000 6.896) 11.785 2.258 ( -2.329 0.000 -4.370) 4.952 2.287 ( -8.337 0.000 -4.051) 9.269 2.391 ( 9.381 0.000 1.343) 9.477 2.853 ( -18.785 0.000 31.262) 36.472 2.932 ( 10.133 0.000 0.015) 10.133 2.960 ( -4.602 0.000 13.126) 13.909 3.726 ( 18.249 0.000 -4.105) 18.705 4.051 ( 2.954 0.000 -3.513) 4.590 4.167 ( 1.098 0.000 -0.045) 1.099 4.169 ( -3.437 0.000 -15.942) 16.309 4.504 ( -2.375 0.000 -16.349) 16.521 4.558 ( 2.489 0.000 21.847) 21.989 5.170 ( -0.250 0.000 -7.113) 7.118 5.224 ( 1.307 0.000 2.039) 2.422 5.235 ( 0.690 0.000 1.246) 1.424 5.665 ( 4.021 0.000 8.195) 9.129 5.890 ( 6.832 0.000 -0.802) 6.879 6.749 ( -4.378 0.000 1.101) 4.514 6.903 ( 0.085 0.000 5.008) 5.009 6.982 ( -0.925 0.000 -7.170) 7.229 7.331 ( -0.354 0.000 -13.847) 13.852 7.551 ( -4.399 0.000 4.033) 5.968 7.635 ( -4.711 0.000 -2.815) 5.488 8.192 ( 1.317 0.000 3.595) 3.829 8.265 ( 1.668 0.000 -0.895) 1.893 8.362 ( -4.467 0.000 5.400) 7.008 8.571 ( -1.734 0.000 6.044) 6.288 8.809 ( 1.313 0.000 0.671) 1.474 8.816 ( -1.731 0.000 -0.815) 1.913 9.020 ( 5.476 0.000 2.960) 6.224 9.073 ( 1.831 0.000 -3.171) 3.661 10.813 ( 0.270 0.000 -2.222) 2.239 10.888 ( 0.917 0.000 -4.815) 4.902 ======================= Grid point 187 (76/140) ======================= q-point: (-0.17 0.00 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -16.008 0.000 16.304) 22.848 1.419 ( -8.369 0.000 22.598) 24.098 2.126 ( -9.952 0.000 -0.629) 9.971 2.146 ( -4.740 0.000 -14.501) 15.256 2.224 ( 6.422 0.000 6.096) 8.855 2.392 ( -12.344 0.000 24.054) 27.037 2.593 ( 3.693 0.000 4.543) 5.855 2.997 ( 2.168 0.000 23.615) 23.714 3.126 ( 8.412 0.000 -0.999) 8.471 4.009 ( 8.926 0.000 -9.048) 12.710 4.058 ( -1.560 0.000 -25.442) 25.490 4.161 ( 2.308 0.000 7.425) 7.776 4.254 ( 7.304 0.000 -0.317) 7.311 4.374 ( -9.546 0.000 -13.469) 16.509 4.623 ( 2.907 0.000 19.439) 19.655 5.170 ( -0.020 0.000 -1.224) 1.224 5.268 ( 2.438 0.000 -3.917) 4.614 5.292 ( 4.691 0.000 -0.480) 4.716 5.791 ( 8.601 0.000 9.512) 12.824 6.047 ( 6.581 0.000 0.634) 6.611 6.633 ( -5.472 0.000 -1.199) 5.601 6.862 ( -11.293 0.000 -7.959) 13.816 6.934 ( 2.934 0.000 5.642) 6.359 7.332 ( 0.158 0.000 -7.660) 7.661 7.428 ( -6.672 0.000 3.418) 7.497 7.528 ( -4.407 0.000 -6.447) 7.809 8.218 ( 1.015 0.000 4.400) 4.515 8.281 ( -1.180 0.000 7.051) 7.149 8.333 ( 2.370 0.000 -1.351) 2.728 8.517 ( -3.085 0.000 7.159) 7.795 8.779 ( -3.816 0.000 -4.446) 5.859 8.783 ( -1.322 0.000 -1.393) 1.921 9.123 ( 3.892 0.000 2.525) 4.639 9.139 ( 3.625 0.000 0.242) 3.633 10.825 ( 0.764 0.000 -2.142) 2.274 10.905 ( 0.561 0.000 -4.852) 4.884 ======================= Grid point 188 (77/140) ======================= q-point: ( 0.00 0.08 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.721 8.752 22.621) 24.266 1.347 ( -0.916 5.030 26.143) 26.638 2.040 ( -3.058 4.567 -7.925) 9.644 2.133 ( 0.416 8.679 -3.114) 9.230 2.364 ( -3.910 11.785 14.325) 18.958 2.406 ( 3.396 6.799 2.197) 7.911 2.685 ( -0.237 5.245 0.253) 5.257 3.033 ( -1.958 1.740 23.070) 23.218 3.306 ( 4.819 4.223 3.902) 7.502 3.952 ( -2.263 -6.871 -9.805) 12.185 4.107 ( -1.737 -3.359 -6.719) 7.711 4.136 ( -1.280 0.017 -12.789) 12.853 4.179 ( 0.408 -2.700 -7.063) 7.572 4.385 ( 5.194 -3.811 -4.050) 7.609 4.734 ( -0.760 7.325 13.346) 15.243 5.161 ( 0.199 -0.565 2.368) 2.442 5.280 ( 1.506 -2.751 -7.722) 8.334 5.351 ( 1.653 -2.461 -3.048) 4.252 6.063 ( 7.696 3.564 3.627) 9.225 6.105 ( -3.002 1.171 1.498) 3.553 6.560 ( -9.281 -0.725 1.275) 9.396 6.602 ( 2.290 0.789 -1.515) 2.857 7.023 ( 3.275 0.118 6.199) 7.012 7.266 ( -3.870 -2.041 -4.528) 6.296 7.341 ( -2.993 2.823 -0.850) 4.201 7.502 ( 3.368 -1.659 -7.754) 8.615 8.170 ( -0.968 -5.024 4.960) 7.126 8.278 ( 0.588 -0.761 5.616) 5.698 8.370 ( 2.045 -0.819 2.774) 3.542 8.453 ( -1.103 -1.394 5.404) 5.688 8.629 ( 0.276 -4.412 2.371) 5.017 8.803 ( -3.774 2.824 -5.763) 7.445 9.148 ( -0.445 -1.873 1.724) 2.584 9.162 ( 0.846 -2.271 0.622) 2.502 10.814 ( 0.452 -2.451 -0.925) 2.659 10.910 ( -0.370 0.286 -5.047) 5.068 ======================= Grid point 189 (78/140) ======================= q-point: ( 0.17 0.08 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 14.110 6.834 18.278) 24.080 1.421 ( 7.684 7.159 21.858) 24.250 2.044 ( 2.535 2.769 -8.997) 9.749 2.242 ( 7.806 7.323 -6.756) 12.657 2.334 ( 2.332 12.093 16.533) 20.616 2.451 ( 1.633 6.599 1.081) 6.883 2.659 ( -1.219 5.654 3.492) 6.757 2.955 ( -5.442 -0.279 20.812) 21.513 3.264 ( -9.482 4.436 11.910) 15.857 3.916 ( 0.514 -5.150 -8.390) 9.858 4.064 ( -1.481 -2.703 -13.424) 13.773 4.121 ( 0.134 0.643 -6.271) 6.305 4.240 ( 3.145 -2.524 -12.739) 13.361 4.411 ( -2.889 -5.148 -3.346) 6.786 4.686 ( -3.430 6.751 13.156) 15.180 5.169 ( 0.596 -0.160 2.322) 2.402 5.283 ( -1.222 -2.726 -8.745) 9.242 5.358 ( -0.878 -2.396 -1.950) 3.211 5.913 ( -10.969 0.316 5.755) 12.392 6.067 ( -7.926 5.533 1.481) 9.779 6.566 ( 8.232 -4.398 -0.062) 9.333 6.733 ( 7.554 2.424 -1.035) 8.001 7.057 ( -0.895 0.247 5.096) 5.180 7.223 ( -0.017 -1.000 -7.660) 7.725 7.339 ( 4.133 1.785 0.275) 4.510 7.607 ( 5.590 -2.149 -5.868) 8.385 8.134 ( -2.168 -4.322 4.276) 6.455 8.279 ( -0.740 -0.934 3.860) 4.040 8.410 ( 2.010 -2.412 5.158) 6.039 8.470 ( 2.186 -0.728 4.389) 4.958 8.628 ( -0.060 -1.051 3.771) 3.915 8.757 ( -0.409 0.158 -2.975) 3.007 9.080 ( -4.383 -3.252 0.610) 5.491 9.176 ( -0.734 0.083 0.654) 0.987 10.816 ( -0.269 -2.449 -0.832) 2.601 10.896 ( -0.873 0.280 -5.183) 5.264 ======================= Grid point 190 (79/140) ======================= q-point: ( 0.33 0.08 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 12.062 7.451 14.480) 20.265 1.715 ( 17.995 7.081 12.065) 22.793 2.068 ( -2.374 5.222 3.464) 6.701 2.245 ( -4.485 5.352 -2.964) 7.586 2.437 ( 3.384 1.632 -3.560) 5.176 2.524 ( 0.065 5.377 -5.659) 7.807 2.762 ( 6.138 1.450 10.765) 12.477 2.852 ( 3.960 3.221 16.211) 16.996 3.029 ( -8.372 6.871 16.642) 19.856 3.875 ( -8.891 -0.041 1.948) 9.102 3.986 ( -3.678 -0.952 1.268) 4.005 4.183 ( 4.563 0.371 -20.046) 20.562 4.279 ( -3.581 -5.643 -5.635) 8.742 4.330 ( 1.185 -2.763 -13.224) 13.561 4.619 ( -2.460 5.580 14.390) 15.629 5.186 ( 0.865 -0.202 2.615) 2.761 5.238 ( -2.662 -2.062 -9.907) 10.463 5.319 ( -2.806 -1.038 0.430) 3.022 5.722 ( -6.046 3.254 7.376) 10.077 5.911 ( -6.152 4.042 -0.169) 7.363 6.714 ( 5.268 -3.925 2.398) 6.993 6.848 ( 3.049 -0.831 -0.782) 3.256 7.019 ( -2.012 2.774 0.669) 3.491 7.257 ( 2.924 -1.383 -12.064) 12.490 7.470 ( 6.741 -0.791 2.018) 7.081 7.694 ( 2.097 -1.904 -3.118) 4.213 8.107 ( 0.026 -3.847 2.853) 4.790 8.249 ( -1.971 -2.348 1.764) 3.537 8.466 ( 3.229 -3.203 5.206) 6.913 8.500 ( -0.172 -2.017 5.832) 6.173 8.645 ( 1.735 -1.696 4.157) 4.813 8.770 ( 1.079 -0.886 -0.800) 1.609 8.997 ( -2.787 -1.368 0.180) 3.109 9.141 ( -2.204 1.792 -1.081) 3.040 10.805 ( -0.686 -2.343 -0.926) 2.611 10.880 ( -0.518 0.323 -5.108) 5.145 ======================= Grid point 191 (80/140) ======================= q-point: (-0.50 0.08 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 4.494 6.874 8.383) 11.735 1.945 ( -2.466 6.486 11.738) 13.636 2.040 ( -4.535 6.567 8.550) 11.696 2.126 ( 9.261 5.784 2.073) 11.114 2.406 ( -5.924 0.903 -0.454) 6.009 2.500 ( -5.858 2.375 -2.974) 6.985 2.705 ( 3.984 -2.308 2.065) 5.046 2.932 ( 1.472 4.401 7.489) 8.810 3.288 ( 19.349 4.071 6.148) 20.706 3.535 ( -19.361 7.378 16.074) 26.223 3.973 ( 1.393 -2.003 2.135) 3.242 4.176 ( -3.880 -2.714 -1.663) 5.018 4.222 ( -1.094 -0.861 -18.437) 18.490 4.415 ( 3.993 -4.089 -16.045) 17.032 4.601 ( 0.637 5.048 13.935) 14.835 5.171 ( -1.855 -1.892 -4.309) 5.058 5.208 ( -0.722 -0.314 -2.497) 2.618 5.270 ( -0.967 1.112 1.048) 1.808 5.674 ( 0.779 5.166 6.540) 8.370 5.835 ( -0.549 2.109 -0.914) 2.363 6.780 ( 0.975 -1.244 3.534) 3.872 6.877 ( 0.011 -3.101 2.674) 4.095 6.995 ( 0.070 2.717 -4.079) 4.902 7.306 ( 1.294 -1.942 -14.019) 14.212 7.569 ( 2.020 -1.506 2.603) 3.623 7.690 ( -2.056 -1.701 -1.566) 3.094 8.126 ( 1.184 -3.506 2.486) 4.458 8.214 ( -0.844 -3.989 0.338) 4.092 8.460 ( -3.177 -1.202 5.956) 6.856 8.525 ( 1.866 -4.242 5.082) 6.878 8.673 ( -0.177 -4.775 6.097) 7.747 8.790 ( 1.775 -2.949 -2.119) 4.042 9.000 ( 2.915 3.183 1.619) 4.610 9.098 ( -1.706 2.149 -3.868) 4.742 10.792 ( -0.434 -2.254 -1.093) 2.543 10.878 ( 0.380 0.373 -4.902) 4.930 ======================= Grid point 192 (81/140) ======================= q-point: (-0.33 0.08 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -12.696 4.916 15.568) 20.682 1.734 ( -17.480 6.725 8.560) 20.592 2.125 ( 9.535 7.510 6.978) 14.000 2.263 ( -5.911 0.326 -4.681) 7.547 2.331 ( -5.505 4.667 -5.889) 9.315 2.451 ( 10.486 5.869 1.464) 12.106 2.822 ( -1.048 -1.320 10.413) 10.549 2.984 ( 2.722 3.924 13.730) 14.537 3.079 ( -11.925 11.252 14.540) 21.914 3.715 ( 15.894 -1.101 -3.638) 16.343 4.024 ( 2.765 -2.666 -1.447) 4.105 4.128 ( -1.734 -1.495 -6.754) 7.132 4.178 ( -0.735 -1.049 -8.930) 9.022 4.445 ( -1.615 -3.864 -13.067) 13.722 4.639 ( 2.840 5.857 14.990) 16.343 5.153 ( 0.107 -1.239 -3.654) 3.860 5.198 ( 0.485 -0.939 -2.980) 3.162 5.269 ( 0.482 1.400 1.088) 1.838 5.727 ( 4.120 5.781 7.292) 10.177 5.907 ( 7.048 1.603 -0.269) 7.233 6.750 ( -4.053 -0.026 0.813) 4.134 6.857 ( -1.568 -3.183 3.737) 5.153 7.009 ( 0.277 1.354 -5.016) 5.203 7.309 ( -0.540 -2.084 -12.423) 12.608 7.545 ( -3.966 -1.211 2.480) 4.831 7.618 ( -4.730 -1.692 -2.829) 5.766 8.147 ( 1.028 -3.882 3.287) 5.190 8.224 ( 1.571 -4.179 0.608) 4.506 8.387 ( -3.356 2.030 5.330) 6.618 8.539 ( -0.555 -3.810 5.735) 6.907 8.641 ( -1.899 -9.255 4.289) 10.376 8.857 ( 3.498 -0.936 -1.870) 4.076 9.052 ( 0.272 2.324 -2.225) 3.229 9.100 ( 3.147 1.813 -0.411) 3.655 10.790 ( 0.240 -2.262 -1.194) 2.569 10.892 ( 0.914 0.387 -4.795) 4.897 ======================= Grid point 193 (82/140) ======================= q-point: (-0.17 0.08 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -15.098 8.866 15.031) 23.076 1.453 ( -9.047 4.010 22.980) 25.020 2.148 ( -5.469 1.492 -11.809) 13.099 2.197 ( -5.975 5.360 -7.160) 10.756 2.295 ( 6.743 7.131 4.875) 10.958 2.527 ( -10.700 12.617 18.756) 25.010 2.651 ( 2.344 5.840 7.040) 9.443 3.035 ( 1.466 3.758 21.763) 22.133 3.149 ( 8.751 2.736 1.246) 9.253 3.947 ( 4.881 -5.651 -12.323) 14.408 4.058 ( 2.472 -0.976 -19.370) 19.551 4.113 ( 0.939 -3.462 8.249) 8.995 4.243 ( 5.741 -1.356 -2.663) 6.472 4.338 ( -7.914 -2.728 -12.819) 15.310 4.708 ( 3.010 6.993 15.243) 17.038 5.159 ( 0.160 -0.798 0.734) 1.096 5.233 ( 2.551 -2.101 -6.008) 6.857 5.300 ( 2.586 -0.440 -1.453) 2.998 5.854 ( 8.455 5.364 7.551) 12.541 6.071 ( 6.892 2.352 1.543) 7.444 6.631 ( -5.905 -0.279 -2.069) 6.263 6.789 ( -6.995 -4.305 -0.533) 8.231 6.988 ( -0.815 2.541 0.641) 2.744 7.307 ( 0.302 -2.443 -7.088) 7.504 7.434 ( -5.903 -0.114 0.869) 5.967 7.515 ( -4.174 -0.772 -5.831) 7.212 8.169 ( 0.867 -4.701 4.654) 6.672 8.260 ( 1.374 -3.243 3.254) 4.795 8.344 ( -0.323 2.263 3.622) 4.283 8.501 ( -2.779 -1.800 6.286) 7.105 8.622 ( 0.059 -9.060 2.105) 9.302 8.877 ( -2.125 2.927 -5.623) 6.685 9.084 ( 3.472 -1.935 -0.341) 3.990 9.160 ( 1.622 0.141 1.435) 2.171 10.801 ( 0.709 -2.352 -1.121) 2.701 10.909 ( 0.524 0.342 -4.870) 4.910 ======================= Grid point 194 (83/140) ======================= q-point: ( 0.00 0.15 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -0.883 14.295 16.470) 21.826 1.535 ( 0.880 14.203 19.410) 24.068 2.124 ( -1.903 4.818 -13.991) 14.920 2.309 ( 1.928 9.080 -11.021) 14.409 2.566 ( 2.498 8.781 3.548) 9.794 2.678 ( -3.886 16.723 12.250) 21.091 2.839 ( 0.642 10.922 5.650) 12.314 3.091 ( -4.576 5.210 16.281) 17.696 3.426 ( 5.398 7.900 8.058) 12.510 3.801 ( -1.896 -8.448 -9.503) 12.855 4.003 ( -0.636 -7.046 -9.595) 11.921 4.104 ( 0.504 -5.134 -10.627) 11.813 4.163 ( -0.851 2.826 -4.926) 5.743 4.309 ( 2.375 -3.149 -4.367) 5.884 4.878 ( -0.631 6.700 8.097) 10.529 5.157 ( 0.361 0.162 2.336) 2.370 5.226 ( 0.957 -2.619 -9.241) 9.652 5.295 ( 0.800 -2.647 -3.514) 4.472 6.114 ( 6.577 0.655 3.227) 7.356 6.131 ( -5.937 1.890 3.620) 7.206 6.542 ( -6.403 -1.219 1.901) 6.790 6.616 ( 3.291 0.432 -2.346) 4.065 7.024 ( 1.910 0.141 5.463) 5.789 7.214 ( -2.828 -3.127 -3.432) 5.437 7.368 ( 0.809 -1.008 -3.511) 3.742 7.482 ( 0.259 0.250 -8.015) 8.023 8.049 ( -0.857 -6.981 6.508) 9.582 8.202 ( 1.486 -6.592 2.458) 7.190 8.373 ( -1.882 -2.139 5.230) 5.956 8.417 ( 1.004 -0.465 3.944) 4.097 8.532 ( 3.646 -5.096 6.327) 8.905 8.852 ( -4.380 1.898 -7.969) 9.289 9.098 ( -2.216 -3.024 0.751) 3.823 9.114 ( 2.320 -2.436 -0.588) 3.414 10.754 ( 0.379 -3.489 1.711) 3.904 10.914 ( -0.383 0.050 -5.040) 5.055 ======================= Grid point 195 (84/140) ======================= q-point: ( 0.17 0.15 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 11.268 11.111 15.238) 21.969 1.642 ( 9.055 14.870 16.120) 23.727 2.133 ( 2.801 5.865 -10.588) 12.423 2.381 ( 3.414 7.680 -11.168) 13.977 2.556 ( -2.897 7.943 4.282) 9.477 2.661 ( 1.026 13.146 2.624) 13.445 2.846 ( 1.100 14.626 11.762) 18.801 2.975 ( -6.019 2.756 13.326) 14.880 3.354 ( -10.615 4.105 11.579) 16.236 3.839 ( 5.426 -2.382 -8.999) 10.775 3.995 ( -1.017 -4.452 -13.028) 13.805 4.084 ( 0.816 -4.870 -1.895) 5.289 4.212 ( 1.970 0.580 -9.835) 10.047 4.314 ( -1.799 -3.811 -4.304) 6.024 4.825 ( -4.047 6.811 8.559) 11.663 5.169 ( 0.638 -0.306 0.863) 1.116 5.227 ( -0.645 -2.113 -8.485) 8.768 5.305 ( 0.056 -2.603 -2.869) 3.874 5.936 ( -9.245 1.711 4.814) 10.563 6.153 ( -6.019 2.941 2.501) 7.151 6.492 ( 4.957 -3.199 1.159) 6.012 6.756 ( 6.390 -0.000 0.139) 6.392 7.061 ( 0.806 0.298 3.059) 3.178 7.190 ( 1.457 -2.489 -5.005) 5.776 7.372 ( 0.440 1.314 -3.704) 3.955 7.547 ( 4.762 -3.862 -5.343) 8.133 8.024 ( -1.429 -6.775 5.496) 8.840 8.216 ( -0.347 -5.470 2.228) 5.916 8.355 ( 0.125 -4.455 5.803) 7.317 8.452 ( 1.921 -0.217 4.646) 5.032 8.583 ( 1.172 -3.680 6.277) 7.371 8.769 ( -2.760 0.896 -6.644) 7.250 9.025 ( -3.407 -2.105 -0.622) 4.052 9.159 ( 0.994 -1.706 -0.177) 1.982 10.756 ( -0.207 -3.495 1.795) 3.934 10.900 ( -0.834 0.086 -5.078) 5.147 ======================= Grid point 196 (85/140) ======================= q-point: ( 0.33 0.15 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 13.375 10.326 12.015) 20.734 1.901 ( 15.579 12.059 9.687) 21.954 2.193 ( 0.550 6.990 0.462) 7.027 2.377 ( -4.993 7.644 -2.599) 9.493 2.493 ( -1.646 3.708 1.905) 4.482 2.642 ( -3.477 6.426 -4.253) 8.454 2.789 ( -6.686 3.759 5.652) 9.528 2.962 ( 1.299 4.221 -1.686) 4.728 3.216 ( 3.859 13.701 19.426) 24.082 3.908 ( -1.615 3.035 0.995) 3.580 3.945 ( -3.324 -3.008 -3.044) 5.419 4.110 ( -0.185 -8.677 -6.375) 10.769 4.229 ( 0.825 1.582 -11.184) 11.326 4.283 ( 0.452 -1.548 -9.370) 9.507 4.740 ( -3.385 6.544 9.971) 12.398 5.167 ( -1.295 -2.452 -4.379) 5.183 5.219 ( 0.418 1.202 -4.133) 4.324 5.293 ( -1.130 -1.381 -0.991) 2.041 5.795 ( -3.703 4.077 4.851) 7.340 5.992 ( -7.442 3.636 0.923) 8.334 6.633 ( 6.797 -4.104 2.832) 8.430 6.829 ( 0.871 -1.055 2.918) 3.223 7.065 ( -0.406 1.661 -2.966) 3.423 7.233 ( 1.971 -1.216 -9.767) 10.038 7.425 ( 4.208 -3.762 0.812) 5.703 7.627 ( 2.201 -5.061 -3.047) 6.304 8.008 ( 0.408 -6.058 4.069) 7.309 8.182 ( -2.787 -4.363 1.369) 5.355 8.363 ( 0.190 -6.760 7.530) 10.121 8.487 ( 1.371 0.580 5.101) 5.313 8.597 ( 0.542 -3.986 4.948) 6.377 8.730 ( -1.597 -2.442 -4.405) 5.284 8.990 ( 0.527 0.270 -0.929) 1.101 9.156 ( -0.980 -0.250 -1.559) 1.858 10.747 ( -0.566 -3.394 1.705) 3.840 10.885 ( -0.467 0.147 -4.929) 4.953 ======================= Grid point 197 (86/140) ======================= q-point: (-0.50 0.15 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -0.665 10.392 8.226) 13.270 2.118 ( 2.114 10.496 10.512) 15.005 2.182 ( -10.252 7.081 5.576) 13.651 2.262 ( 15.171 7.636 2.984) 17.244 2.432 ( -6.254 2.167 3.060) 7.292 2.569 ( -3.865 4.663 -4.142) 7.337 2.704 ( 1.765 2.369 -2.491) 3.865 2.991 ( 3.218 1.925 -4.324) 5.724 3.439 ( 11.633 11.527 9.416) 18.891 3.704 ( -14.078 8.823 11.550) 20.234 3.925 ( 0.668 -3.128 -0.918) 3.328 4.106 ( 0.100 -4.522 -3.805) 5.910 4.200 ( -3.040 -1.118 -10.950) 11.419 4.350 ( 3.717 -1.623 -13.606) 14.197 4.709 ( 0.504 6.085 10.458) 12.110 5.134 ( -1.132 -1.867 -7.048) 7.379 5.217 ( -1.250 1.218 -0.741) 1.896 5.283 ( 0.532 0.598 -0.983) 1.267 5.792 ( 2.895 6.335 4.595) 8.344 5.882 ( -2.482 2.492 -0.206) 3.523 6.745 ( 3.450 -2.437 3.832) 5.703 6.822 ( -0.914 -2.280 3.923) 4.629 7.042 ( -1.522 1.956 -5.803) 6.310 7.263 ( 0.706 -2.343 -11.658) 11.912 7.495 ( 1.590 -6.235 2.626) 6.950 7.629 ( -1.692 -4.789 -2.210) 5.539 8.043 ( 2.530 -5.149 3.220) 6.579 8.121 ( -2.418 -4.717 0.736) 5.352 8.358 ( -0.441 -7.469 9.251) 11.898 8.499 ( -0.606 0.528 3.926) 4.007 8.580 ( -2.861 -5.146 5.874) 8.317 8.733 ( 2.853 -2.851 -4.316) 5.907 9.037 ( 3.227 0.491 0.305) 3.278 9.129 ( -1.422 0.824 -4.001) 4.326 10.736 ( -0.381 -3.290 1.545) 3.655 10.884 ( 0.395 0.170 -4.742) 4.761 ======================= Grid point 198 (87/140) ======================= q-point: (-0.33 0.15 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -12.466 9.991 15.379) 22.175 1.891 ( -15.303 9.322 6.979) 19.230 2.279 ( -2.539 3.282 -0.975) 4.262 2.319 ( 5.991 9.844 3.551) 12.058 2.445 ( -5.901 7.022 -8.461) 12.479 2.598 ( 12.440 8.412 0.893) 15.044 2.809 ( 5.090 -0.132 3.199) 6.013 3.075 ( 4.840 4.850 4.225) 8.050 3.349 ( -13.294 15.798 16.485) 26.421 3.698 ( 8.292 0.086 -2.052) 8.543 3.954 ( 1.456 -4.470 -2.529) 5.338 4.121 ( -1.738 0.152 -6.605) 6.831 4.132 ( 0.682 -3.480 -8.030) 8.778 4.382 ( -1.136 -1.619 -10.435) 10.621 4.757 ( 3.848 6.233 10.475) 12.782 5.133 ( 0.998 -0.913 -5.756) 5.913 5.190 ( -0.813 0.264 -2.291) 2.445 5.288 ( -0.329 0.926 -0.221) 1.007 5.851 ( 2.877 5.846 3.567) 7.428 5.947 ( 8.089 2.754 1.793) 8.731 6.741 ( -3.812 -0.932 0.890) 4.024 6.804 ( -1.683 -2.376 3.569) 4.606 7.018 ( -0.496 -0.279 -3.542) 3.588 7.257 ( -1.076 -3.263 -10.366) 10.921 7.482 ( -2.761 -5.331 1.120) 6.108 7.572 ( -3.239 -3.101 -3.101) 5.452 8.072 ( -0.420 -3.373 2.946) 4.498 8.115 ( 2.037 -6.741 2.620) 7.513 8.369 ( 1.986 -7.697 8.366) 11.540 8.460 ( -2.690 0.802 3.014) 4.118 8.510 ( -3.390 -5.352 5.816) 8.600 8.822 ( 4.931 -2.158 -3.074) 6.198 9.077 ( -0.728 -0.332 -3.090) 3.192 9.120 ( 1.441 0.419 -1.509) 2.128 10.734 ( 0.178 -3.279 1.445) 3.588 10.899 ( 0.875 0.133 -4.707) 4.790 ======================= Grid point 199 (88/140) ======================= q-point: (-0.17 0.15 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -12.156 10.891 14.323) 21.715 1.611 ( -8.499 14.143 16.411) 23.272 2.190 ( -3.927 3.015 -11.184) 12.231 2.331 ( -3.856 8.261 -10.057) 13.574 2.472 ( 6.137 10.168 4.468) 12.689 2.763 ( 1.589 9.755 -2.254) 10.137 2.816 ( -2.169 9.092 15.684) 18.257 3.164 ( -2.764 11.377 19.564) 22.799 3.243 ( 8.851 6.653 4.215) 11.848 3.815 ( 2.100 -7.218 -9.673) 12.250 3.981 ( 2.130 -6.038 -6.046) 8.806 4.079 ( -0.524 -1.561 -8.708) 8.863 4.203 ( 3.407 -2.550 -4.931) 6.514 4.303 ( -5.251 0.240 -7.129) 8.857 4.844 ( 3.604 6.474 9.272) 11.869 5.153 ( 0.329 0.348 0.872) 0.995 5.196 ( 1.448 -1.855 -8.116) 8.451 5.282 ( 0.164 -0.770 -1.796) 1.961 5.951 ( 6.734 3.855 3.954) 8.709 6.126 ( 7.133 2.950 3.721) 8.569 6.615 ( -6.643 -1.485 -3.056) 7.461 6.729 ( -5.875 -1.976 1.969) 6.503 7.010 ( -0.399 0.068 2.030) 2.070 7.242 ( -0.036 -4.221 -6.113) 7.428 7.398 ( -4.152 -3.315 -1.952) 5.661 7.514 ( -2.365 0.213 -5.843) 6.307 8.061 ( -0.494 -5.693 5.785) 8.132 8.162 ( 2.213 -6.804 2.531) 7.590 8.408 ( -1.155 3.861 4.297) 5.891 8.438 ( -1.749 -7.392 5.514) 9.386 8.448 ( 2.555 -6.061 5.640) 8.664 8.899 ( 1.131 -0.287 -5.245) 5.373 9.058 ( 0.564 -1.068 -3.206) 3.426 9.139 ( -0.339 -1.914 0.627) 2.042 10.743 ( 0.579 -3.377 1.520) 3.748 10.914 ( 0.468 0.071 -4.858) 4.881 ======================= Grid point 200 (89/140) ======================= q-point: ( 0.00 0.23 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -0.518 15.687 10.315) 18.781 1.863 ( 0.738 18.367 10.004) 20.928 2.230 ( -0.351 6.129 -9.831) 11.590 2.493 ( 1.190 10.049 -11.993) 15.692 2.713 ( 0.430 5.886 5.962) 8.389 2.893 ( -0.603 5.803 2.158) 6.221 3.053 ( 3.330 8.861 5.800) 11.102 3.303 ( -7.956 15.868 11.861) 21.349 3.599 ( -3.907 6.991 2.305) 8.334 3.643 ( 7.622 -3.991 -5.734) 10.339 3.848 ( -0.192 -8.284 -6.642) 10.620 3.987 ( 0.054 -6.737 -8.940) 11.194 4.208 ( 2.188 -0.286 -2.319) 3.201 4.307 ( -1.705 4.099 -7.433) 8.658 4.967 ( -0.405 2.007 4.109) 4.591 5.146 ( -1.000 -2.477 -5.565) 6.173 5.208 ( 1.603 2.779 -1.224) 3.434 5.289 ( 0.094 2.502 -5.525) 6.066 6.099 ( 1.248 -1.859 4.453) 4.984 6.159 ( -2.495 0.745 2.947) 3.932 6.509 ( -4.787 -2.099 1.918) 5.568 6.612 ( 2.822 -0.989 -3.439) 4.557 7.035 ( 1.519 1.105 5.107) 5.442 7.153 ( -0.899 -2.926 -1.438) 3.382 7.316 ( 1.883 -3.569 -3.211) 5.157 7.489 ( -1.047 -0.720 -9.301) 9.388 7.915 ( -2.007 -6.642 6.470) 9.487 8.045 ( 2.141 -9.314 1.740) 9.714 8.261 ( -1.396 -8.033 6.315) 10.313 8.365 ( 2.153 -6.197 2.314) 6.956 8.510 ( 1.789 2.901 7.092) 7.869 8.865 ( -3.444 -0.712 -7.375) 8.171 9.046 ( 0.101 -2.166 -0.553) 2.238 9.075 ( 0.146 -1.419 -2.641) 3.002 10.691 ( 0.312 -2.673 4.528) 5.267 10.908 ( -0.359 -0.869 -4.712) 4.805 ======================= Grid point 201 (90/140) ======================= q-point: ( 0.17 0.23 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 7.431 13.696 10.315) 18.687 1.959 ( 7.826 16.822 8.710) 20.496 2.257 ( 2.846 6.881 -7.825) 10.801 2.538 ( 2.083 8.358 -9.735) 12.999 2.677 ( -3.663 4.881 6.471) 8.895 2.850 ( -3.605 6.464 -1.317) 7.518 3.058 ( -5.033 4.548 5.218) 8.558 3.156 ( -6.256 13.202 2.314) 14.791 3.438 ( -3.658 7.288 8.730) 11.946 3.817 ( 5.635 -2.711 -7.132) 9.485 3.898 ( 3.939 -2.482 -6.837) 8.272 3.972 ( -1.057 -5.357 -3.797) 6.651 4.256 ( 2.224 1.046 -2.588) 3.569 4.281 ( -1.056 2.054 -6.974) 7.347 4.930 ( -2.921 3.825 4.961) 6.911 5.130 ( -0.536 -2.931 -5.566) 6.314 5.240 ( 1.496 2.511 -0.776) 3.024 5.288 ( -0.227 2.031 -6.016) 6.353 5.967 ( -7.029 1.251 4.163) 8.264 6.176 ( -3.734 -0.413 3.096) 4.868 6.444 ( 2.490 -1.787 1.294) 3.327 6.734 ( 5.876 -2.296 -0.421) 6.323 7.072 ( 1.298 0.761 1.635) 2.222 7.133 ( 0.619 -2.946 -1.165) 3.228 7.370 ( 1.272 -2.053 -4.013) 4.684 7.472 ( 0.533 -3.536 -7.004) 7.864 7.883 ( -0.994 -7.394 5.983) 9.563 8.081 ( 1.012 -8.443 1.594) 8.651 8.235 ( -0.813 -7.301 6.737) 9.967 8.416 ( 2.754 -5.476 1.986) 6.443 8.535 ( 0.135 0.542 7.677) 7.697 8.776 ( -4.457 -0.332 -6.705) 8.058 9.004 ( -1.787 -0.146 -2.441) 3.029 9.118 ( 1.821 -2.326 -1.411) 3.274 10.693 ( -0.196 -2.727 4.589) 5.341 10.894 ( -0.778 -0.817 -4.676) 4.811 ======================= Grid point 202 (91/140) ======================= q-point: ( 0.33 0.23 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 12.410 9.046 7.929) 17.284 2.158 ( 10.734 12.916 6.543) 18.023 2.323 ( 2.264 6.856 -1.576) 7.391 2.515 ( -6.050 5.992 -0.515) 8.531 2.576 ( -4.846 5.034 6.318) 9.420 2.755 ( -5.317 5.067 -2.077) 7.633 2.907 ( -7.548 5.590 -0.043) 9.393 3.016 ( -3.762 4.606 -8.657) 10.503 3.528 ( 8.925 16.507 10.458) 21.483 3.881 ( -2.358 -3.304 -6.427) 7.602 3.920 ( 3.287 -8.543 -6.673) 11.327 3.973 ( -1.833 1.720 -2.128) 3.294 4.262 ( -1.353 1.443 0.053) 1.979 4.298 ( 2.647 2.887 -6.878) 7.915 4.866 ( -2.686 6.466 5.524) 8.918 5.120 ( -0.496 -1.747 -6.417) 6.669 5.262 ( 0.095 1.327 0.487) 1.416 5.287 ( 0.652 2.748 -5.173) 5.894 5.871 ( -1.834 3.577 3.264) 5.178 6.040 ( -6.989 1.442 1.106) 7.221 6.562 ( 6.665 -3.230 3.247) 8.087 6.807 ( 1.024 -1.529 2.357) 2.990 7.081 ( 0.039 -0.005 -4.793) 4.794 7.186 ( 2.932 -3.906 -3.218) 5.849 7.355 ( -1.123 -2.719 -2.580) 3.913 7.504 ( 1.228 -7.337 -2.919) 7.991 7.882 ( 1.103 -6.769 5.198) 8.606 8.071 ( -1.955 -7.565 0.930) 7.868 8.236 ( 0.704 -5.762 8.673) 10.436 8.477 ( 2.621 -5.711 3.494) 7.190 8.517 ( -1.346 0.004 4.998) 5.176 8.691 ( -3.389 -1.700 -6.157) 7.230 8.995 ( 0.838 0.179 -1.607) 1.822 9.137 ( 0.190 -1.466 -2.557) 2.953 10.685 ( -0.501 -2.732 4.526) 5.311 10.880 ( -0.430 -0.770 -4.482) 4.568 ======================= Grid point 203 (92/140) ======================= q-point: (-0.50 0.23 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -1.126 3.794 4.587) 6.059 2.270 ( -5.373 7.758 2.696) 9.814 2.339 ( 1.173 7.972 8.967) 12.055 2.401 ( 6.845 7.279 3.496) 10.586 2.514 ( -1.021 6.460 3.789) 7.558 2.675 ( -0.872 6.080 -1.644) 6.358 2.787 ( -2.925 5.715 -2.828) 7.015 3.039 ( 4.351 3.993 -10.717) 12.237 3.699 ( 5.822 13.828 3.304) 15.363 3.823 ( -5.276 0.440 -1.435) 5.486 3.861 ( -3.767 -0.663 -0.820) 3.911 3.997 ( 2.735 -6.577 -6.266) 9.486 4.198 ( -4.503 1.736 -0.591) 4.862 4.372 ( 3.634 3.137 -5.264) 7.124 4.840 ( 0.360 7.587 5.481) 9.366 5.110 ( -0.192 -0.141 -7.669) 7.673 5.241 ( -1.600 0.979 0.043) 1.876 5.314 ( 1.269 3.030 -2.604) 4.192 5.887 ( 2.140 2.360 2.167) 3.853 5.940 ( -1.215 4.475 0.242) 4.643 6.684 ( 4.850 -3.702 3.901) 7.241 6.792 ( -2.133 -1.252 3.154) 4.008 7.061 ( -2.110 -0.084 -6.279) 6.625 7.210 ( -0.605 -3.506 -8.679) 9.379 7.360 ( 1.143 -6.366 3.130) 7.185 7.508 ( -0.623 -7.435 -2.840) 7.984 7.927 ( 2.738 -6.817 4.876) 8.817 8.025 ( -1.773 -6.305 -0.007) 6.550 8.235 ( -1.388 -4.543 10.905) 11.895 8.463 ( -2.641 -5.847 6.472) 9.113 8.518 ( -0.382 0.337 0.649) 0.826 8.679 ( 3.007 -2.750 -5.939) 7.203 9.023 ( 1.385 -1.566 -0.112) 2.094 9.134 ( -0.326 -0.191 -4.344) 4.360 10.676 ( -0.326 -2.686 4.407) 5.171 10.880 ( 0.371 -0.776 -4.321) 4.406 ======================= Grid point 204 (93/140) ======================= q-point: (-0.33 0.23 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -11.831 7.433 8.957) 16.596 2.108 ( -8.887 13.205 7.508) 17.599 2.342 ( -4.540 3.793 -3.254) 6.752 2.518 ( 7.372 9.359 6.404) 13.526 2.602 ( -3.588 8.897 -7.216) 12.004 2.721 ( 11.400 2.749 -2.216) 11.935 2.835 ( 5.473 3.735 5.534) 8.633 3.157 ( 7.184 3.833 -6.576) 10.466 3.637 ( -9.373 11.548 8.911) 17.338 3.755 ( 0.426 6.881 -3.428) 7.699 3.862 ( 0.358 -4.401 -3.347) 5.540 4.031 ( -0.263 -6.711 -7.472) 10.047 4.120 ( -1.129 0.191 -2.753) 2.982 4.415 ( -0.081 4.365 -4.392) 6.193 4.879 ( 3.089 6.344 5.215) 8.774 5.122 ( 1.403 0.199 -7.016) 7.157 5.208 ( -1.508 1.444 -1.808) 2.762 5.318 ( -0.923 2.388 -1.020) 2.756 5.912 ( 2.270 0.853 0.033) 2.425 6.030 ( 7.207 5.233 2.837) 9.348 6.714 ( -5.114 -2.027 0.338) 5.512 6.749 ( 0.145 -3.631 3.168) 4.821 7.010 ( -1.742 -0.226 -1.516) 2.321 7.179 ( -1.984 -4.793 -7.551) 9.161 7.369 ( -0.747 -5.198 1.070) 5.360 7.495 ( -0.187 -4.922 -3.987) 6.337 7.968 ( 1.264 -8.507 3.082) 9.136 8.011 ( -0.666 -3.779 1.391) 4.081 8.207 ( 0.269 -7.304 10.177) 12.530 8.400 ( -3.122 -5.945 5.776) 8.857 8.501 ( -0.923 2.305 1.256) 2.782 8.777 ( 5.486 -2.518 -4.246) 7.380 9.037 ( -0.232 -3.073 -1.450) 3.406 9.128 ( -0.323 0.245 -3.862) 3.883 10.674 ( 0.165 -2.627 4.334) 5.070 10.893 ( 0.813 -0.833 -4.348) 4.501 ======================= Grid point 205 (94/140) ======================= q-point: (-0.17 0.23 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -7.204 12.172 10.646) 17.702 1.934 ( -7.025 17.662 9.005) 21.033 2.265 ( -2.748 4.702 -8.212) 9.854 2.512 ( -2.950 10.308 -10.419) 14.950 2.656 ( 4.808 8.240 5.435) 10.980 2.874 ( 2.998 0.302 2.090) 3.667 2.962 ( 5.656 8.218 4.194) 10.822 3.360 ( 11.892 4.004 -2.278) 12.753 3.467 ( -6.829 16.243 14.473) 22.802 3.725 ( -3.525 0.851 -7.101) 7.973 3.858 ( -0.124 -6.249 -4.285) 7.578 4.000 ( -1.546 -6.512 -9.209) 11.385 4.155 ( 2.898 -2.191 -3.314) 4.917 4.368 ( -3.652 5.682 -5.186) 8.516 4.944 ( 2.509 3.498 4.240) 6.043 5.158 ( 1.211 -1.338 -6.964) 7.194 5.183 ( -0.397 2.702 -0.820) 2.851 5.294 ( -0.819 2.295 -2.989) 3.857 5.992 ( 5.167 0.542 1.836) 5.511 6.174 ( 4.935 1.901 4.178) 6.740 6.577 ( -6.258 -2.257 -2.220) 7.013 6.692 ( -5.310 -2.521 0.535) 5.903 7.010 ( 1.020 0.372 4.110) 4.251 7.151 ( -0.109 -4.783 -3.948) 6.202 7.331 ( -2.337 -3.218 -2.101) 4.498 7.498 ( 0.130 -2.303 -6.828) 7.208 7.966 ( -2.865 -4.340 5.130) 7.305 8.001 ( 1.938 -9.486 1.906) 9.868 8.255 ( 2.681 -9.763 6.987) 12.301 8.348 ( -1.381 -5.531 4.701) 7.389 8.488 ( 0.006 4.091 3.812) 5.592 8.876 ( 3.044 -2.026 -4.844) 6.069 9.023 ( -0.347 -2.632 -2.786) 3.849 9.110 ( -1.515 -0.699 -2.307) 2.847 10.682 ( 0.496 -2.620 4.391) 5.138 10.907 ( 0.434 -0.880 -4.545) 4.649 ======================= Grid point 206 (95/140) ======================= q-point: ( 0.00 0.31 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.558 14.870 5.269) 15.786 2.191 ( -0.186 14.143 2.346) 14.337 2.368 ( 0.839 8.608 -1.842) 8.843 2.692 ( -0.272 9.973 -7.491) 12.476 2.784 ( -0.650 1.725 5.013) 5.341 2.941 ( 2.211 0.179 0.249) 2.232 3.158 ( 0.541 0.606 1.825) 1.997 3.480 ( -2.870 -0.905 -6.657) 7.306 3.606 ( -1.223 6.029 2.678) 6.710 3.714 ( -2.485 -2.451 1.199) 3.691 3.850 ( 2.359 -1.459 -5.774) 6.405 3.888 ( 2.474 11.301 -4.449) 12.394 4.179 ( 3.006 -1.889 1.393) 3.814 4.400 ( -3.286 4.043 -7.386) 9.039 4.971 ( 0.091 -0.606 2.097) 2.185 5.100 ( -1.796 -1.550 -4.355) 4.960 5.312 ( 0.659 6.727 -2.348) 7.155 5.389 ( 0.721 7.727 -6.351) 10.028 6.051 ( 0.412 -2.817 3.986) 4.898 6.157 ( -2.108 -0.993 0.754) 2.449 6.469 ( -4.061 -1.867 1.385) 4.679 6.575 ( 2.382 -2.595 -3.751) 5.146 7.068 ( 1.129 2.238 4.319) 4.994 7.105 ( 1.013 -1.973 0.285) 2.236 7.247 ( 0.378 -3.395 -2.747) 4.384 7.424 ( -0.507 -6.404 -6.594) 9.206 7.796 ( -2.083 -6.192 2.003) 6.833 7.857 ( 1.151 -9.288 1.025) 9.415 8.091 ( 0.139 -8.571 7.100) 11.131 8.235 ( 1.144 -6.828 1.861) 7.169 8.579 ( 0.496 3.807 4.697) 6.066 8.835 ( -2.161 -1.872 -5.367) 6.081 9.012 ( 2.128 -1.329 -1.510) 2.928 9.061 ( -1.717 -0.270 -4.515) 4.838 10.657 ( 0.241 -0.815 6.126) 6.184 10.878 ( -0.316 -2.215 -3.592) 4.232 ======================= Grid point 207 (96/140) ======================= q-point: ( 0.17 0.31 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 3.579 13.470 6.021) 15.182 2.242 ( 4.286 11.104 -0.188) 11.903 2.414 ( 3.556 9.966 0.715) 10.606 2.681 ( -2.150 4.785 -1.714) 5.519 2.760 ( -1.540 4.803 2.033) 5.438 2.914 ( -4.128 0.573 -1.779) 4.531 3.075 ( -7.435 -2.247 -1.040) 7.837 3.339 ( -8.036 7.308 -3.472) 11.403 3.624 ( 3.059 4.222 1.516) 5.429 3.706 ( 1.860 -2.135 -1.477) 3.194 3.882 ( 0.321 -2.013 -5.442) 5.811 4.002 ( 5.710 9.593 -5.541) 12.463 4.246 ( 3.194 -0.989 3.493) 4.835 4.349 ( -1.448 3.121 -6.350) 7.222 4.980 ( 0.580 1.762 2.757) 3.323 5.082 ( 0.296 -1.529 -4.019) 4.310 5.308 ( -0.739 4.890 -1.838) 5.277 5.394 ( -0.138 8.003 -6.884) 10.557 5.981 ( -4.188 0.219 3.431) 5.419 6.147 ( -2.267 -2.299 1.163) 3.432 6.423 ( 1.461 -0.499 1.207) 1.959 6.666 ( 5.010 -4.545 -1.890) 7.023 7.090 ( 0.392 1.012 -0.260) 1.116 7.093 ( -0.534 -0.983 2.357) 2.609 7.298 ( 3.054 -4.764 -1.687) 5.904 7.389 ( -2.623 -5.949 -6.855) 9.448 7.755 ( -1.234 -5.541 3.148) 6.491 7.889 ( 1.192 -10.973 0.991) 11.082 8.099 ( 1.116 -6.264 6.774) 9.294 8.276 ( 2.694 -7.820 2.171) 8.551 8.575 ( -1.139 2.697 4.191) 5.112 8.761 ( -4.549 -1.002 -5.323) 7.073 9.010 ( -1.143 0.386 -3.036) 3.267 9.077 ( 1.954 -1.790 -2.619) 3.725 10.657 ( -0.277 -0.931 6.184) 6.260 10.866 ( -0.734 -2.160 -3.536) 4.208 ======================= Grid point 208 (97/140) ======================= q-point: ( 0.33 0.31 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 6.192 7.317 5.066) 10.842 2.328 ( 3.030 4.932 -3.550) 6.790 2.498 ( 3.159 10.246 6.606) 12.593 2.581 ( -5.993 0.960 1.384) 6.226 2.688 ( -4.045 6.001 5.512) 9.097 2.845 ( -3.701 4.541 -1.511) 6.050 2.940 ( -3.193 0.288 -6.654) 7.386 3.198 ( -5.008 10.933 -4.415) 12.811 3.705 ( 4.054 -2.658 -0.490) 4.872 3.758 ( 2.455 -4.748 -3.554) 6.419 3.879 ( -0.363 2.590 -5.353) 5.958 4.058 ( -0.911 8.539 -7.329) 11.290 4.289 ( 1.219 0.321 4.018) 4.211 4.360 ( 2.400 4.189 -1.063) 4.943 4.990 ( 0.404 6.243 2.146) 6.614 5.108 ( 1.799 0.405 -4.565) 4.923 5.289 ( -1.085 2.649 0.265) 2.874 5.390 ( -0.069 6.625 -5.978) 8.923 5.926 ( -1.133 2.117 2.599) 3.538 6.061 ( -4.241 1.105 -0.919) 4.478 6.508 ( 5.215 -2.543 2.603) 6.359 6.747 ( 2.232 -4.928 -0.521) 5.435 7.067 ( -0.881 -0.951 -1.367) 1.884 7.126 ( 1.802 -1.560 -0.986) 2.579 7.306 ( -2.614 -3.005 -4.064) 5.690 7.355 ( 0.204 -7.727 -1.805) 7.938 7.751 ( 0.697 -6.793 3.910) 7.868 7.893 ( -0.752 -10.177 1.008) 10.254 8.146 ( 2.909 -3.797 7.576) 8.960 8.337 ( 2.614 -7.508 4.260) 9.020 8.539 ( -1.747 1.378 0.701) 2.333 8.662 ( -4.416 -1.302 -6.195) 7.718 8.998 ( -0.122 0.159 -0.972) 0.992 9.108 ( 1.104 -1.438 -3.325) 3.787 10.648 ( -0.521 -1.026 6.159) 6.266 10.852 ( -0.425 -2.146 -3.359) 4.008 ======================= Grid point 209 (98/140) ======================= q-point: (-0.50 0.31 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -3.825 -1.212 2.350) 4.650 2.375 ( 4.634 2.107 -3.416) 6.130 2.497 ( -3.897 9.060 8.513) 13.029 2.543 ( 3.613 6.376 3.562) 8.148 2.635 ( -2.673 4.712 1.252) 5.560 2.796 ( 2.524 5.875 6.128) 8.856 2.904 ( -2.520 6.196 -5.230) 8.491 3.160 ( 1.601 7.935 -10.124) 12.963 3.755 ( 0.425 -3.293 -3.611) 4.906 3.817 ( 3.416 -7.680 0.274) 8.409 3.866 ( -1.139 0.855 -7.416) 7.552 3.982 ( -4.920 7.402 -5.947) 10.694 4.287 ( -2.289 7.331 4.410) 8.856 4.434 ( 4.334 2.969 -0.669) 5.296 4.998 ( 0.213 8.277 1.447) 8.405 5.140 ( 1.164 3.175 -6.521) 7.346 5.266 ( -0.938 2.139 1.066) 2.567 5.391 ( -0.042 4.384 -3.144) 5.395 5.907 ( -0.880 0.868 1.272) 1.774 6.037 ( 2.390 4.905 -2.038) 5.824 6.605 ( 3.907 -4.607 3.336) 6.901 6.747 ( -2.303 -3.942 -0.357) 4.579 7.043 ( -1.718 -1.518 -1.504) 2.742 7.139 ( -1.106 -2.808 -5.315) 6.112 7.277 ( 0.560 -2.652 0.283) 2.726 7.360 ( 0.400 -7.432 -2.243) 7.774 7.775 ( 1.198 -8.896 4.272) 9.941 7.876 ( -0.234 -8.354 0.488) 8.372 8.177 ( -0.944 -2.080 9.312) 9.588 8.347 ( -1.956 -5.763 6.179) 8.673 8.525 ( 0.157 0.276 -2.387) 2.408 8.627 ( 2.280 -2.554 -7.213) 7.985 8.996 ( -0.214 -0.850 0.477) 0.998 9.124 ( 0.465 -0.803 -4.172) 4.274 10.639 ( -0.264 -1.007 6.077) 6.166 10.851 ( 0.325 -2.184 -3.236) 3.918 ======================= Grid point 210 (99/140) ======================= q-point: (-0.33 0.31 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -4.886 4.650 3.684) 7.685 2.357 ( -5.773 10.844 3.273) 12.714 2.432 ( -2.829 6.234 1.135) 6.939 2.662 ( 7.189 2.718 5.018) 9.179 2.675 ( 5.701 0.382 -0.832) 5.774 2.828 ( -3.393 10.007 -6.534) 12.423 2.910 ( 6.831 2.796 6.821) 10.050 3.239 ( 5.646 4.541 -10.394) 12.671 3.740 ( -2.221 -1.144 -3.442) 4.253 3.811 ( -3.318 2.332 -3.829) 5.578 3.853 ( -0.280 -5.418 -0.082) 5.426 3.941 ( 1.209 1.807 -5.541) 5.952 4.201 ( -5.259 9.201 2.924) 10.994 4.499 ( 1.137 3.503 -2.600) 4.508 4.995 ( -0.504 5.387 1.081) 5.518 5.156 ( 0.360 3.080 -6.303) 7.024 5.257 ( 0.241 4.317 -0.735) 4.386 5.380 ( -0.842 3.865 -1.824) 4.356 5.918 ( 2.167 0.461 -0.361) 2.245 6.121 ( 4.773 3.945 -0.292) 6.199 6.657 ( 0.506 -6.033 2.632) 6.602 6.659 ( -5.841 -3.545 -1.622) 7.022 7.007 ( -0.998 -0.697 0.455) 1.300 7.102 ( -1.644 -1.755 -3.089) 3.915 7.297 ( 0.272 -2.616 -0.654) 2.710 7.380 ( 1.582 -6.971 -3.372) 7.904 7.788 ( 0.248 -9.845 2.544) 10.172 7.895 ( 1.285 -8.093 0.208) 8.197 8.115 ( -3.685 -2.542 8.840) 9.909 8.287 ( -3.096 -5.516 4.901) 8.002 8.541 ( 1.173 1.751 -0.842) 2.270 8.724 ( 5.715 -2.947 -5.181) 8.258 8.987 ( -0.532 -1.498 -0.560) 1.685 9.125 ( -0.469 -0.584 -4.081) 4.149 10.639 ( 0.246 -0.888 6.013) 6.083 10.863 ( 0.760 -2.242 -3.283) 4.048 ======================= Grid point 211 (100/140) ======================= q-point: (-0.17 0.31 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -2.517 11.840 5.084) 13.129 2.246 ( -4.482 13.210 3.262) 14.326 2.378 ( -1.765 7.609 -1.173) 7.898 2.718 ( -1.762 10.231 -5.652) 11.820 2.770 ( 2.335 2.192 4.817) 5.785 2.847 ( 5.562 -0.680 -1.220) 5.735 3.069 ( 7.175 1.613 3.604) 8.189 3.389 ( 8.402 0.714 -8.751) 12.152 3.667 ( -3.816 4.832 0.944) 6.229 3.760 ( -2.346 -1.916 -1.431) 3.350 3.847 ( 0.206 -6.323 -2.917) 6.967 3.923 ( -4.193 11.585 -4.905) 13.261 4.135 ( 0.268 1.345 1.507) 2.038 4.473 ( -3.112 4.291 -5.366) 7.542 4.980 ( -0.805 0.890 1.197) 1.695 5.142 ( -1.765 -0.132 -4.908) 5.217 5.281 ( 1.872 6.993 -1.614) 7.417 5.373 ( 0.424 5.998 -4.484) 7.500 5.985 ( 3.901 -0.792 0.890) 4.079 6.195 ( 1.131 0.148 1.640) 1.998 6.536 ( -4.560 -1.735 -1.890) 5.232 6.616 ( -3.922 -5.271 -0.375) 6.581 7.025 ( 2.488 0.334 3.436) 4.255 7.084 ( 0.054 -1.023 -0.600) 1.187 7.276 ( -1.939 -2.496 -2.305) 3.912 7.414 ( 1.306 -6.648 -4.813) 8.310 7.799 ( 0.891 -10.341 1.347) 10.466 7.883 ( -2.401 -5.591 0.406) 6.098 8.081 ( 0.376 -7.301 7.926) 10.783 8.237 ( -1.451 -5.800 3.324) 6.841 8.563 ( 0.943 3.622 2.400) 4.446 8.826 ( 3.337 -2.892 -4.526) 6.323 8.980 ( 0.275 -1.262 -2.003) 2.383 9.102 ( -1.704 -0.483 -3.980) 4.357 10.648 ( 0.506 -0.791 6.036) 6.109 10.877 ( 0.429 -2.258 -3.463) 4.156 ======================= Grid point 212 (101/140) ======================= q-point: ( 0.00 0.38 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 1.119 11.705 2.052) 11.936 2.382 ( -0.376 6.549 -2.363) 6.972 2.558 ( 0.973 9.329 5.917) 11.090 2.763 ( -0.837 -1.628 5.278) 5.587 2.886 ( 0.252 6.873 -2.734) 7.401 2.936 ( 0.938 1.259 -4.716) 4.970 3.102 ( -0.990 -4.385 2.742) 5.266 3.399 ( -1.675 -7.476 -8.063) 11.122 3.667 ( 1.409 3.452 2.096) 4.277 3.742 ( -0.620 -1.351 3.470) 3.775 3.815 ( 1.551 3.912 -5.280) 6.752 4.120 ( 4.684 -0.699 0.713) 4.789 4.190 ( -1.440 10.918 -4.847) 12.032 4.451 ( -3.304 1.394 -6.929) 7.802 4.974 ( -0.030 1.337 2.266) 2.631 5.085 ( -1.726 -0.362 -2.144) 2.776 5.454 ( -0.120 8.039 -2.415) 8.395 5.558 ( 1.113 8.491 -5.725) 10.301 6.005 ( 0.156 -1.476 0.948) 1.761 6.118 ( -2.063 -2.958 -2.309) 4.282 6.432 ( -2.460 -2.089 1.347) 3.498 6.532 ( 1.431 -1.459 -2.705) 3.390 7.075 ( 2.473 -1.153 1.202) 2.982 7.114 ( -0.121 1.955 2.070) 2.850 7.186 ( -1.349 -3.084 -2.589) 4.247 7.255 ( 0.106 -9.538 -2.027) 9.752 7.648 ( 1.209 -7.299 -1.083) 7.478 7.721 ( -1.737 -6.088 -2.571) 6.834 7.969 ( 0.338 -3.454 5.465) 6.474 8.109 ( 0.110 -6.024 0.651) 6.060 8.651 ( 0.101 3.503 3.022) 4.628 8.801 ( -1.013 -1.739 -3.030) 3.638 8.998 ( 1.602 -0.048 -2.523) 2.990 9.053 ( -1.452 -0.662 -5.050) 5.296 10.660 ( 0.142 1.101 5.973) 6.075 10.824 ( -0.247 -3.279 -1.414) 3.580 ======================= Grid point 213 (102/140) ======================= q-point: ( 0.17 0.38 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 0.455 10.700 3.061) 11.138 2.400 ( 1.559 6.576 -3.224) 7.488 2.598 ( 2.445 6.691 5.832) 9.207 2.689 ( -6.186 -2.641 2.454) 7.160 2.864 ( -3.438 3.902 3.823) 6.454 2.931 ( 0.485 3.748 -7.349) 8.264 3.029 ( -4.911 -2.147 0.877) 5.431 3.356 ( -1.593 -6.038 -8.122) 10.245 3.664 ( -1.885 6.579 10.354) 12.412 3.724 ( 0.010 0.204 -4.060) 4.065 3.873 ( 2.128 -0.264 -8.913) 9.167 4.193 ( 2.861 -4.060 6.339) 8.053 4.234 ( 3.414 11.401 -9.038) 14.944 4.414 ( 0.584 3.777 -4.786) 6.125 5.008 ( 3.220 1.476 2.508) 4.340 5.079 ( 1.257 0.753 -1.943) 2.434 5.425 ( -2.508 6.836 -1.784) 7.497 5.553 ( -1.500 7.031 -5.109) 8.820 5.988 ( -0.990 1.181 0.801) 1.737 6.101 ( -0.516 -2.224 -2.282) 3.228 6.410 ( 0.590 -1.312 0.657) 1.581 6.581 ( 2.993 -3.704 -1.296) 4.935 7.083 ( -1.200 -0.620 1.965) 2.385 7.111 ( -0.024 1.018 -1.341) 1.683 7.197 ( 1.585 -5.808 -0.851) 6.080 7.250 ( -0.535 -6.792 -2.160) 7.147 7.653 ( -1.235 -5.809 -0.932) 6.012 7.700 ( 0.365 -7.201 -1.634) 7.394 8.006 ( 3.099 -3.065 5.375) 6.920 8.135 ( 2.413 -6.504 1.207) 7.041 8.628 ( -2.270 2.747 1.845) 4.013 8.742 ( -4.303 -1.060 -3.688) 5.766 9.014 ( -0.442 0.160 -2.309) 2.357 9.050 ( 1.440 -0.997 -3.762) 4.150 10.657 ( -0.416 0.941 6.037) 6.124 10.813 ( -0.702 -3.202 -1.361) 3.549 ======================= Grid point 214 (103/140) ======================= q-point: ( 0.33 0.38 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -1.881 5.349 3.417) 6.621 2.399 ( -2.733 2.765 -3.736) 5.392 2.578 ( -0.892 -0.233 0.641) 1.123 2.641 ( 0.950 3.133 6.196) 7.008 2.797 ( -2.235 5.395 2.542) 6.369 2.911 ( -4.995 1.184 3.861) 6.424 2.978 ( 2.530 4.737 -7.126) 8.923 3.325 ( -1.823 -0.540 -8.522) 8.732 3.648 ( 0.833 2.046 11.016) 11.235 3.721 ( -0.247 0.044 -4.050) 4.058 3.876 ( -1.342 -1.969 -8.507) 8.835 4.177 ( -4.194 -2.458 -4.008) 6.300 4.339 ( 6.552 8.783 -1.115) 11.014 4.463 ( 2.584 5.466 -2.089) 6.397 5.094 ( 4.254 4.164 1.298) 6.093 5.134 ( 3.820 2.164 -2.108) 4.870 5.365 ( -2.833 4.822 -0.019) 5.593 5.507 ( -2.681 4.208 -2.909) 5.775 5.975 ( -0.591 3.996 -0.026) 4.040 6.088 ( -0.028 1.495 -3.910) 4.186 6.449 ( 2.652 -3.747 1.219) 4.750 6.640 ( 2.160 -5.472 -0.979) 5.964 7.050 ( -1.869 -1.563 1.285) 2.754 7.118 ( 0.562 0.758 -3.851) 3.965 7.216 ( 0.156 -6.239 0.138) 6.243 7.239 ( -0.256 -3.688 -1.122) 3.864 7.621 ( -1.356 -6.163 0.461) 6.328 7.714 ( 0.498 -7.763 -1.608) 7.943 8.088 ( 4.299 -2.020 6.143) 7.765 8.204 ( 3.763 -5.987 3.275) 7.793 8.566 ( -3.163 1.443 -1.520) 3.794 8.640 ( -4.885 -1.034 -5.360) 7.326 9.005 ( -0.336 0.718 -0.396) 0.886 9.081 ( 1.326 -1.386 -3.237) 3.763 10.646 ( -0.567 0.832 6.041) 6.125 10.800 ( -0.462 -3.208 -1.242) 3.471 ======================= Grid point 215 (104/140) ======================= q-point: (-0.50 0.38 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -3.095 1.227 2.762) 4.326 2.390 ( 3.214 -0.530 -3.647) 4.890 2.623 ( 0.072 3.329 3.990) 5.196 2.646 ( 3.178 3.595 1.559) 5.045 2.715 ( -6.401 5.215 1.462) 8.385 2.866 ( 1.348 1.369 5.017) 5.373 3.029 ( 1.586 6.341 -3.174) 7.266 3.285 ( -1.301 2.872 -9.396) 9.911 3.684 ( 1.633 -4.311 8.802) 9.936 3.718 ( -0.038 -0.479 -1.633) 1.702 3.854 ( 0.232 -0.563 -7.368) 7.393 4.067 ( -5.747 0.447 -4.169) 7.114 4.445 ( 1.694 7.839 -2.307) 8.345 4.500 ( 2.195 4.109 -2.197) 5.151 5.139 ( -0.523 5.914 0.119) 5.938 5.215 ( 2.723 3.976 -4.057) 6.299 5.332 ( 0.365 4.335 1.613) 4.640 5.457 ( -1.568 1.772 -0.629) 2.448 5.956 ( -0.871 4.963 -1.340) 5.214 6.119 ( 2.693 3.250 -4.557) 6.211 6.501 ( 2.129 -5.834 2.301) 6.623 6.649 ( -1.495 -5.825 -2.110) 6.373 7.012 ( -1.629 -1.239 0.893) 2.233 7.121 ( -0.315 0.343 -4.204) 4.230 7.217 ( 0.250 -5.017 0.359) 5.036 7.246 ( 0.827 -2.825 -0.686) 3.023 7.606 ( -0.072 -7.416 1.313) 7.532 7.718 ( 0.149 -7.833 -1.787) 8.035 8.144 ( -0.063 -1.197 7.368) 7.465 8.247 ( -0.656 -4.482 5.313) 6.981 8.530 ( 0.217 0.377 -4.084) 4.107 8.585 ( 1.066 -1.700 -7.187) 7.462 8.997 ( -0.515 0.954 0.671) 1.275 9.102 ( 0.598 -1.518 -3.329) 3.707 10.638 ( -0.166 0.881 5.982) 6.048 10.797 ( 0.250 -3.291 -1.172) 3.503 ======================= Grid point 216 (105/140) ======================= q-point: (-0.33 0.38 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 1.603 5.020 2.190) 5.707 2.487 ( 1.989 3.736 -2.952) 5.160 2.591 ( 0.059 -3.639 0.699) 3.706 2.596 ( -2.491 8.113 6.514) 10.699 2.750 ( 5.129 2.933 1.573) 6.114 2.924 ( 3.565 -0.472 2.682) 4.486 3.023 ( -1.842 8.458 -2.006) 8.885 3.299 ( 2.750 0.648 -10.121) 10.508 3.701 ( -0.473 -2.221 -1.703) 2.839 3.707 ( -0.287 -5.403 6.159) 8.198 3.883 ( 0.323 2.626 -3.636) 4.496 3.976 ( -1.137 1.472 -2.012) 2.740 4.398 ( -4.846 9.232 -3.557) 11.017 4.548 ( 0.934 1.855 -3.783) 4.316 5.084 ( -3.904 3.819 0.185) 5.464 5.210 ( -2.686 1.755 -3.594) 4.818 5.375 ( 2.925 7.055 0.451) 7.650 5.462 ( 1.933 4.474 -2.025) 5.278 5.954 ( 0.746 3.741 -2.208) 4.408 6.173 ( 1.901 1.117 -3.257) 3.933 6.527 ( 0.016 -6.611 2.656) 7.125 6.587 ( -3.827 -3.913 -3.204) 6.342 6.990 ( -0.148 -0.164 1.067) 1.090 7.113 ( -0.268 1.552 -1.703) 2.320 7.229 ( 0.821 -7.227 -0.319) 7.280 7.256 ( -0.231 -2.582 -1.532) 3.011 7.612 ( 0.466 -7.431 0.152) 7.448 7.729 ( 0.908 -8.438 -1.678) 8.651 8.083 ( -4.683 -0.906 5.822) 7.526 8.192 ( -3.558 -4.273 3.675) 6.665 8.570 ( 3.002 1.409 -2.327) 4.051 8.670 ( 5.601 -2.442 -5.030) 7.915 8.985 ( -0.599 1.082 -0.274) 1.267 9.104 ( -0.387 -1.562 -3.496) 3.849 10.641 ( 0.391 1.045 5.915) 6.019 10.808 ( 0.716 -3.371 -1.218) 3.655 ======================= Grid point 217 (106/140) ======================= q-point: (-0.17 0.38 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 1.929 9.824 1.758) 10.165 2.424 ( -3.604 6.606 -1.728) 7.721 2.559 ( -0.922 9.082 6.480) 11.195 2.712 ( 5.915 -4.976 3.247) 8.384 2.839 ( 3.508 2.407 1.026) 4.377 2.947 ( -1.937 7.695 -7.018) 10.593 3.047 ( 4.886 -2.072 3.656) 6.445 3.376 ( 3.727 -3.493 -10.021) 11.248 3.667 ( -1.597 -0.743 1.003) 2.027 3.723 ( 1.106 -4.859 2.630) 5.634 3.838 ( -2.548 5.929 -0.877) 6.513 4.030 ( 4.080 0.239 -1.216) 4.265 4.277 ( -6.012 10.377 -4.232) 12.717 4.524 ( -2.967 1.038 -5.788) 6.586 5.007 ( -3.007 2.249 1.019) 3.891 5.141 ( -3.361 -0.438 -2.324) 4.109 5.431 ( 2.168 8.262 -1.514) 8.675 5.515 ( 2.730 7.657 -4.583) 9.332 5.981 ( 1.605 0.779 -1.303) 2.209 6.174 ( -2.005 -2.468 -1.946) 3.728 6.491 ( -2.880 -4.431 1.662) 5.540 6.531 ( -1.298 -1.619 -3.146) 3.769 7.015 ( 2.469 -0.362 1.509) 2.916 7.112 ( 0.141 2.455 0.579) 2.526 7.231 ( -2.134 -2.539 -2.333) 4.055 7.246 ( 0.717 -9.636 -0.993) 9.714 7.625 ( 0.871 -6.967 -1.098) 7.107 7.742 ( -0.042 -8.173 -2.174) 8.457 7.996 ( -3.054 -1.832 5.206) 6.307 8.130 ( -2.132 -5.155 1.762) 5.850 8.627 ( 2.103 3.000 0.995) 3.797 8.773 ( 3.626 -2.509 -3.246) 5.475 8.978 ( 0.173 0.930 -2.200) 2.394 9.085 ( -1.352 -1.298 -4.152) 4.555 10.652 ( 0.548 1.155 5.910) 6.047 10.821 ( 0.460 -3.365 -1.340) 3.652 ======================= Grid point 218 (107/140) ======================= q-point: ( 0.00 0.46 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 1.410 5.322 0.073) 5.506 2.469 ( 0.104 2.199 -1.227) 2.520 2.674 ( -0.483 2.974 6.607) 7.262 2.722 ( -0.858 -2.353 5.161) 5.736 2.939 ( 1.840 3.017 -0.601) 3.584 3.009 ( 1.208 -3.026 -1.160) 3.459 3.074 ( -2.838 7.116 -1.215) 7.757 3.236 ( -2.301 -8.780 -4.653) 10.200 3.706 ( 2.852 0.847 -1.542) 3.351 3.722 ( 3.408 -0.598 2.633) 4.348 3.923 ( -1.074 6.497 1.093) 6.675 4.044 ( 1.266 -5.558 4.620) 7.338 4.376 ( -0.550 6.715 -10.204) 12.228 4.453 ( -1.676 -1.558 -8.871) 9.161 5.021 ( -0.483 3.048 2.015) 3.686 5.069 ( -0.954 -1.617 0.385) 1.917 5.606 ( -0.678 6.636 -1.606) 6.861 5.664 ( 0.007 1.399 -3.014) 3.323 6.005 ( 0.164 1.463 -3.047) 3.384 6.054 ( -1.027 -3.305 -4.167) 5.417 6.417 ( -0.997 1.702 1.479) 2.465 6.489 ( 0.224 -3.907 -0.587) 3.957 7.056 ( 1.532 -0.675 1.196) 2.057 7.079 ( -0.538 -3.999 0.367) 4.052 7.149 ( -0.435 0.624 -1.938) 2.082 7.164 ( -0.420 -1.264 -3.337) 3.593 7.565 ( 0.594 -0.903 -2.118) 2.377 7.608 ( -0.115 -4.802 -3.283) 5.818 7.953 ( -0.243 1.344 2.107) 2.511 8.009 ( -0.307 -4.212 0.492) 4.252 8.713 ( -0.045 2.922 1.435) 3.256 8.763 ( -0.313 -2.230 -0.548) 2.318 9.010 ( 0.429 1.116 -3.775) 3.959 9.034 ( -0.655 -1.259 -4.708) 4.917 10.697 ( 0.006 2.622 4.241) 4.986 10.757 ( -0.137 -3.445 1.485) 3.754 ======================= Grid point 219 (108/140) ======================= q-point: ( 0.17 0.46 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -0.932 6.316 -0.142) 6.386 2.509 ( 3.291 3.074 -0.765) 4.568 2.613 ( -7.985 -1.785 2.672) 8.607 2.648 ( -2.767 -2.119 5.787) 6.755 2.927 ( -2.232 3.283 1.595) 4.278 2.983 ( -2.940 -2.309 2.157) 4.316 3.055 ( 0.993 7.290 -4.169) 8.456 3.206 ( 0.035 -8.168 -4.596) 9.373 3.737 ( -0.491 1.841 -1.225) 2.266 3.770 ( 0.534 0.204 2.980) 3.034 3.906 ( -0.531 6.522 -1.857) 6.802 4.065 ( 0.677 -8.163 4.729) 9.458 4.416 ( 3.566 6.085 -9.482) 11.817 4.465 ( 2.879 0.621 -7.654) 8.201 5.049 ( 3.293 2.530 2.136) 4.670 5.084 ( 2.559 -0.729 0.396) 2.691 5.553 ( -4.058 5.743 -0.869) 7.085 5.619 ( -3.877 -0.468 -1.329) 4.125 6.034 ( 2.331 2.614 -3.446) 4.914 6.066 ( 1.794 -1.317 -3.936) 4.522 6.401 ( -0.420 2.323 0.702) 2.463 6.500 ( 0.848 -5.698 -0.240) 5.766 7.053 ( -1.072 -0.717 0.611) 1.427 7.093 ( 1.035 -4.043 0.598) 4.216 7.139 ( 0.041 1.534 -2.743) 3.143 7.172 ( 0.630 -2.052 -1.632) 2.697 7.571 ( -0.280 -1.398 -2.227) 2.644 7.599 ( -0.502 -3.767 -3.890) 5.438 7.985 ( 3.214 0.815 3.020) 4.484 8.032 ( 2.648 -3.976 1.309) 4.953 8.678 ( -3.221 2.320 0.027) 3.970 8.716 ( -3.911 -1.622 -1.800) 4.601 9.020 ( 0.302 0.522 -2.605) 2.674 9.034 ( 0.771 -0.793 -3.586) 3.752 10.691 ( -0.556 2.458 4.303) 4.987 10.748 ( -0.653 -3.319 1.540) 3.717 ======================= Grid point 220 (109/140) ======================= q-point: ( 0.33 0.46 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -6.551 3.958 1.948) 7.898 2.422 ( -7.678 -0.871 -0.224) 7.731 2.591 ( 4.301 1.964 -0.092) 4.729 2.639 ( 1.513 -2.203 2.775) 3.852 2.881 ( -2.282 2.963 1.194) 3.925 2.914 ( -3.621 -0.634 1.908) 4.142 3.092 ( 2.394 6.559 -2.144) 7.304 3.226 ( 1.364 -7.056 -4.313) 8.381 3.704 ( -2.002 2.382 2.263) 3.848 3.748 ( -2.117 -0.925 1.387) 2.695 3.894 ( -0.474 6.719 -1.690) 6.945 4.057 ( -1.569 -8.269 2.036) 8.659 4.497 ( 3.942 5.586 -7.730) 10.319 4.536 ( 2.992 1.391 -6.538) 7.323 5.154 ( 6.315 2.213 0.921) 6.755 5.170 ( 5.139 0.817 -0.270) 5.211 5.458 ( -4.570 4.441 0.679) 6.408 5.525 ( -4.849 -1.980 0.974) 5.327 6.079 ( 1.493 4.757 -3.745) 6.236 6.110 ( 2.280 0.570 -4.601) 5.166 6.404 ( 0.651 1.356 0.667) 1.645 6.517 ( 0.519 -7.751 -0.685) 7.798 7.032 ( -0.800 1.191 0.349) 1.477 7.098 ( -0.404 -4.615 -1.056) 4.752 7.156 ( 1.215 1.309 -0.894) 1.997 7.186 ( 0.765 -1.826 -0.633) 2.078 7.549 ( -1.426 -0.678 -2.677) 3.108 7.593 ( -0.343 -4.683 -4.057) 6.206 8.074 ( 4.744 0.614 4.566) 6.613 8.113 ( 4.545 -3.415 3.327) 6.587 8.594 ( -4.256 1.388 -2.948) 5.360 8.619 ( -4.835 -1.167 -4.167) 6.489 9.025 ( 0.225 1.316 -0.969) 1.650 9.053 ( 0.909 -1.498 -2.227) 2.834 10.678 ( -0.572 2.394 4.332) 4.982 10.735 ( -0.525 -3.309 1.604) 3.714 ======================= Grid point 221 (110/140) ======================= q-point: (-0.50 0.46 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -1.646 4.201 2.093) 4.974 2.349 ( 0.694 -3.649 -0.652) 3.771 2.663 ( 0.352 1.425 0.914) 1.729 2.678 ( 2.810 0.169 0.060) 2.816 2.815 ( -3.547 4.064 1.692) 5.654 2.865 ( -0.497 -1.286 1.895) 2.344 3.140 ( 1.919 5.443 -1.156) 5.886 3.247 ( 0.562 -5.166 -4.870) 7.121 3.667 ( -1.463 1.428 4.949) 5.355 3.704 ( -1.906 -1.728 0.438) 2.610 3.898 ( 1.058 5.335 -0.321) 5.449 4.013 ( -2.243 -5.301 0.712) 5.800 4.560 ( 1.565 3.494 -7.320) 8.261 4.571 ( 0.406 2.209 -6.493) 6.870 5.227 ( -1.083 3.524 -0.298) 3.699 5.265 ( 1.448 0.313 -1.879) 2.393 5.410 ( 1.597 3.298 2.225) 4.287 5.456 ( 0.119 -1.455 1.875) 2.377 6.087 ( -0.581 6.839 -4.148) 8.020 6.152 ( 1.501 -0.071 -4.963) 5.186 6.424 ( 1.137 -0.397 1.328) 1.793 6.514 ( -0.788 -7.789 -1.332) 7.941 7.020 ( -0.502 2.241 0.684) 2.397 7.086 ( -0.608 -4.004 -1.614) 4.360 7.175 ( 0.514 0.911 -0.126) 1.054 7.204 ( 0.820 -1.910 -0.964) 2.291 7.527 ( -0.460 -0.342 -2.512) 2.576 7.584 ( -0.332 -5.581 -3.972) 6.858 8.139 ( 0.320 0.802 5.801) 5.865 8.175 ( 0.219 -2.887 5.043) 5.815 8.541 ( 0.161 0.747 -5.083) 5.140 8.559 ( 0.340 -1.089 -6.139) 6.244 9.027 ( -0.134 1.952 -0.317) 1.982 9.067 ( 0.329 -2.036 -1.896) 2.801 10.672 ( -0.024 2.494 4.299) 4.970 10.730 ( 0.130 -3.424 1.616) 3.788 ======================= Grid point 222 (111/140) ======================= q-point: (-0.33 0.46 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 4.858 6.493 1.836) 8.314 2.439 ( 6.818 -6.349 0.764) 9.348 2.621 ( -3.218 4.610 -0.467) 5.642 2.684 ( -1.537 -0.403 2.699) 3.132 2.812 ( 2.907 4.254 0.711) 5.201 2.888 ( 2.278 -3.044 1.524) 4.096 3.157 ( -0.520 5.632 -2.045) 6.015 3.255 ( 0.526 -4.430 -5.862) 7.367 3.650 ( -0.093 -0.054 5.908) 5.909 3.672 ( -1.127 -1.624 1.463) 2.459 3.933 ( 1.771 2.840 0.321) 3.363 3.980 ( -0.508 -1.374 0.837) 1.687 4.531 ( -3.425 4.456 -7.656) 9.498 4.571 ( -1.234 0.090 -7.187) 7.293 5.149 ( -4.786 3.176 0.287) 5.751 5.205 ( -4.829 -2.126 -0.384) 5.290 5.497 ( 4.881 4.607 0.532) 6.733 5.528 ( 4.897 1.431 -1.212) 5.243 6.062 ( -1.684 6.539 -4.400) 8.059 6.158 ( -1.225 -2.796 -4.706) 5.610 6.441 ( 0.306 -1.118 2.081) 2.382 6.495 ( -0.679 -5.302 -1.413) 5.529 7.012 ( -0.049 2.356 0.770) 2.479 7.078 ( -0.028 -4.487 -0.819) 4.561 7.174 ( -0.581 1.515 -0.669) 1.755 7.211 ( -0.276 -2.190 -1.774) 2.832 7.531 ( 0.690 -0.601 -2.601) 2.758 7.586 ( 0.595 -5.791 -3.611) 6.851 8.084 ( -4.558 1.026 3.883) 6.075 8.123 ( -4.146 -2.905 3.246) 6.013 8.598 ( 4.304 1.509 -3.220) 5.583 8.630 ( 5.140 -1.803 -4.109) 6.823 9.020 ( -0.495 2.307 -1.089) 2.598 9.066 ( -0.383 -2.300 -2.380) 3.332 10.678 ( 0.542 2.663 4.237) 5.033 10.739 ( 0.653 -3.552 1.565) 3.936 ======================= Grid point 223 (112/140) ======================= q-point: (-0.17 0.46 0.33) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 2.965 6.834 0.593) 7.473 2.497 ( -1.976 -1.329 -0.204) 2.390 2.645 ( 4.652 1.785 3.872) 6.310 2.681 ( 1.906 0.781 5.341) 5.725 2.879 ( 3.210 2.783 -0.807) 4.324 2.951 ( 3.697 -4.015 -0.242) 5.463 3.126 ( -2.088 7.243 -2.529) 7.951 3.264 ( -0.119 -7.009 -5.862) 9.138 3.663 ( 0.974 -0.141 3.267) 3.412 3.667 ( 1.375 -1.099 2.832) 3.334 3.941 ( -0.573 4.465 0.815) 4.574 4.007 ( 2.186 -2.348 2.339) 3.970 4.439 ( -4.689 6.125 -8.910) 11.785 4.516 ( -3.599 -1.962 -8.182) 9.151 5.062 ( -3.306 3.115 1.002) 4.652 5.116 ( -3.400 -2.196 0.136) 4.050 5.580 ( 2.908 6.010 -1.063) 6.761 5.621 ( 3.712 2.185 -2.874) 5.178 6.025 ( -1.688 3.649 -3.920) 5.616 6.106 ( -3.267 -4.244 -4.377) 6.917 6.436 ( -0.691 0.119 2.171) 2.281 6.489 ( -0.114 -3.608 -1.102) 3.774 7.024 ( 1.202 1.370 0.946) 2.053 7.083 ( 0.254 -5.431 0.074) 5.437 7.157 ( -0.770 1.802 -1.443) 2.434 7.191 ( -1.495 -1.863 -2.818) 3.694 7.549 ( 0.932 -0.589 -2.555) 2.782 7.602 ( 0.715 -5.643 -3.204) 6.529 7.994 ( -3.513 1.351 2.314) 4.419 8.043 ( -2.992 -3.670 1.307) 4.912 8.680 ( 3.078 2.548 -0.261) 4.004 8.727 ( 3.615 -2.319 -1.637) 4.596 9.010 ( -0.362 2.120 -2.883) 3.597 9.052 ( -0.878 -2.082 -3.670) 4.310 10.690 ( 0.556 2.726 4.207) 5.044 10.753 ( 0.515 -3.562 1.498) 3.899 ======================= Grid point 260 (113/140) ======================= q-point: ( 0.00 0.00 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -6.664 0.000 -20.013) 21.093 1.606 ( 6.664 0.000 20.013) 21.093 1.797 ( -2.746 0.000 -15.261) 15.506 1.797 ( 2.746 0.000 15.261) 15.506 2.430 ( -3.104 0.000 -3.659) 4.799 2.430 ( 3.104 0.000 3.659) 4.799 2.983 ( 4.758 0.000 -26.926) 27.344 2.983 ( -4.758 0.000 26.926) 27.344 3.587 ( 2.657 0.000 -25.912) 26.047 3.587 ( -2.657 0.000 25.912) 26.047 3.977 ( 7.476 0.000 -2.680) 7.942 3.977 ( -7.476 0.000 2.680) 7.942 4.317 ( 4.040 0.000 -5.967) 7.206 4.317 ( -4.040 0.000 5.967) 7.206 4.998 ( 1.704 0.000 -14.732) 14.830 4.998 ( -1.704 0.000 14.732) 14.830 5.312 ( 1.485 0.000 -3.364) 3.677 5.312 ( -1.485 0.000 3.364) 3.677 6.081 ( -4.962 0.000 -1.635) 5.225 6.081 ( 4.962 0.000 1.635) 5.225 6.580 ( -5.662 0.000 0.459) 5.680 6.580 ( 5.662 0.000 -0.459) 5.680 7.162 ( -5.109 0.000 -6.548) 8.305 7.162 ( 5.109 0.000 6.548) 8.305 7.381 ( 4.752 0.000 -5.106) 6.975 7.381 ( -4.752 0.000 5.106) 6.975 8.306 ( 0.962 0.000 -3.187) 3.329 8.306 ( -0.962 0.000 3.187) 3.329 8.474 ( -3.368 0.000 -5.631) 6.561 8.474 ( 3.368 0.000 5.631) 6.561 8.700 ( -0.057 0.000 -3.587) 3.588 8.700 ( 0.057 0.000 3.587) 3.588 9.195 ( 0.348 0.000 -0.387) 0.521 9.195 ( -0.348 0.000 0.387) 0.521 10.832 ( -0.518 0.000 -1.640) 1.720 10.832 ( 0.518 0.000 1.640) 1.720 ======================= Grid point 262 (114/140) ======================= q-point: ( 0.17 0.00 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 3.936 0.000 -7.424) 8.403 1.698 ( 3.273 0.000 11.116) 11.588 1.920 ( 12.091 0.000 -8.641) 14.862 1.932 ( 8.708 0.000 7.345) 11.392 2.351 ( -4.021 0.000 -4.637) 6.138 2.453 ( -1.455 0.000 5.023) 5.230 2.941 ( -0.178 0.000 18.952) 18.953 3.134 ( 8.292 0.000 -23.567) 24.983 3.503 ( -3.710 0.000 25.950) 26.213 3.539 ( -6.642 0.000 -25.238) 26.097 3.859 ( -2.775 0.000 0.308) 2.792 4.090 ( 2.427 0.000 6.122) 6.585 4.224 ( -4.268 0.000 1.956) 4.695 4.361 ( -0.367 0.000 -6.450) 6.460 4.949 ( -2.654 0.000 14.823) 15.059 5.009 ( -0.628 0.000 -15.754) 15.766 5.266 ( -2.399 0.000 1.806) 3.003 5.323 ( -0.159 0.000 -4.018) 4.021 5.936 ( -7.247 0.000 -4.295) 8.424 6.034 ( -8.823 0.000 2.251) 9.105 6.613 ( 7.765 0.000 0.516) 7.782 6.740 ( 7.599 0.000 4.156) 8.662 7.069 ( -3.013 0.000 -7.138) 7.748 7.184 ( -3.304 0.000 6.401) 7.204 7.404 ( 6.767 0.000 5.276) 8.580 7.513 ( 7.010 0.000 -4.704) 8.442 8.259 ( -3.074 0.000 3.696) 4.807 8.299 ( -1.324 0.000 -2.667) 2.978 8.441 ( 0.420 0.000 -5.304) 5.321 8.560 ( 4.216 0.000 4.671) 6.292 8.721 ( 1.897 0.000 -1.209) 2.250 8.725 ( 2.096 0.000 3.980) 4.498 9.146 ( -4.207 0.000 0.130) 4.209 9.161 ( -3.369 0.000 -0.859) 3.477 10.816 ( -0.899 0.000 -1.644) 1.874 10.833 ( -0.411 0.000 1.513) 1.568 ======================= Grid point 264 (115/140) ======================= q-point: ( 0.33 0.00 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 11.320 0.000 1.964) 11.489 1.828 ( 9.036 0.000 -0.406) 9.045 2.108 ( 1.503 0.000 -1.049) 1.833 2.113 ( 6.721 0.000 6.213) 9.153 2.311 ( 3.162 0.000 -7.079) 7.753 2.378 ( -4.234 0.000 0.843) 4.317 2.914 ( -3.225 0.000 3.328) 4.634 3.114 ( -10.960 0.000 3.032) 11.371 3.508 ( 4.686 0.000 31.608) 31.953 3.558 ( 9.685 0.000 -33.238) 34.620 3.821 ( -1.199 0.000 -13.796) 13.848 4.066 ( -4.659 0.000 12.079) 12.947 4.165 ( -1.056 0.000 -0.757) 1.299 4.298 ( -5.222 0.000 -1.194) 5.357 4.909 ( -0.868 0.000 15.172) 15.197 4.972 ( -2.568 0.000 -16.819) 17.014 5.238 ( 0.063 0.000 0.780) 0.783 5.310 ( -1.260 0.000 -2.961) 3.218 5.807 ( -4.896 0.000 -4.809) 6.863 5.837 ( -8.028 0.000 4.671) 9.288 6.776 ( 6.367 0.000 -1.863) 6.634 6.854 ( 2.954 0.000 5.296) 6.065 7.043 ( 0.362 0.000 -8.561) 8.569 7.110 ( -3.049 0.000 7.597) 8.186 7.557 ( 6.674 0.000 4.242) 7.908 7.636 ( 3.955 0.000 -3.892) 5.549 8.210 ( -1.044 0.000 3.284) 3.446 8.262 ( -2.033 0.000 -2.526) 3.243 8.487 ( 3.810 0.000 -4.558) 5.941 8.616 ( 0.524 0.000 2.783) 2.832 8.773 ( 2.944 0.000 1.518) 3.312 8.775 ( 2.446 0.000 3.188) 4.018 9.044 ( -4.704 0.000 0.451) 4.725 9.073 ( -4.626 0.000 -1.923) 5.009 10.801 ( -0.364 0.000 -1.495) 1.539 10.818 ( -0.889 0.000 1.378) 1.640 ======================= Grid point 265 (116/140) ======================= q-point: (-0.50 0.00 0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -5.959 0.000 -6.570) 8.870 1.952 ( 5.959 0.000 6.570) 8.870 2.079 ( 6.055 0.000 -5.197) 7.980 2.079 ( -6.055 0.000 5.197) 7.980 2.382 ( 1.037 0.000 -3.953) 4.087 2.382 ( -1.037 0.000 3.953) 4.087 2.903 ( 5.573 0.000 -7.307) 9.190 2.903 ( -5.573 0.000 7.307) 9.190 3.634 ( -4.575 0.000 -27.278) 27.659 3.634 ( 4.575 0.000 27.278) 27.659 3.908 ( 9.550 0.000 -21.022) 23.090 3.908 ( -9.550 0.000 21.022) 23.090 4.191 ( -3.740 0.000 1.088) 3.895 4.191 ( 3.740 0.000 -1.088) 3.895 4.921 ( -1.856 0.000 -16.021) 16.128 4.921 ( 1.856 0.000 16.021) 16.128 5.268 ( -2.375 0.000 -0.998) 2.576 5.268 ( 2.375 0.000 0.998) 2.576 5.751 ( 0.171 0.000 -4.785) 4.788 5.751 ( -0.171 0.000 4.785) 4.788 6.861 ( 1.980 0.000 -3.351) 3.893 6.861 ( -1.980 0.000 3.351) 3.893 7.065 ( 1.493 0.000 -9.197) 9.317 7.065 ( -1.493 0.000 9.197) 9.317 7.653 ( -2.225 0.000 -3.280) 3.963 7.653 ( 2.225 0.000 3.280) 3.963 8.221 ( -1.690 0.000 -2.585) 3.089 8.221 ( 1.690 0.000 2.585) 3.089 8.576 ( 3.933 0.000 -3.484) 5.254 8.576 ( -3.933 0.000 3.484) 5.254 8.810 ( -0.267 0.000 -1.088) 1.120 8.810 ( 0.267 0.000 1.088) 1.120 9.000 ( -1.307 0.000 -2.332) 2.674 9.000 ( 1.307 0.000 2.332) 2.674 10.803 ( 0.497 0.000 -1.357) 1.445 10.803 ( -0.497 0.000 1.357) 1.445 ======================= Grid point 270 (117/140) ======================= q-point: ( 0.00 0.08 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -4.065 4.843 -20.755) 21.697 1.655 ( 4.065 4.843 20.755) 21.697 1.839 ( -0.239 4.365 -19.093) 19.587 1.839 ( 0.239 4.365 19.093) 19.587 2.497 ( -2.938 6.693 -4.232) 8.446 2.497 ( 2.938 6.693 4.232) 8.446 3.042 ( 3.715 5.778 -23.236) 24.230 3.042 ( -3.715 5.778 23.236) 24.230 3.592 ( 2.502 0.524 -22.641) 22.785 3.592 ( -2.502 0.524 22.641) 22.785 3.956 ( 7.420 -2.274 -3.593) 8.552 3.956 ( -7.420 -2.274 3.593) 8.552 4.273 ( 3.005 -3.976 -6.413) 8.122 4.273 ( -3.005 -3.976 6.413) 8.122 5.012 ( 1.594 1.317 -12.476) 12.646 5.012 ( -1.594 1.317 12.476) 12.646 5.280 ( 0.896 -2.901 -3.704) 4.790 5.280 ( -0.896 -2.901 3.704) 4.790 6.113 ( -5.940 2.685 -0.890) 6.579 6.113 ( 5.940 2.685 0.890) 6.579 6.580 ( -6.531 0.028 0.426) 6.545 6.580 ( 6.531 0.028 -0.426) 6.545 7.153 ( -4.404 -0.905 -5.991) 7.490 7.153 ( 4.404 -0.905 5.991) 7.490 7.377 ( 3.491 -0.460 -3.904) 5.257 7.377 ( -3.491 -0.460 3.904) 5.257 8.273 ( 0.991 -3.482 -3.991) 5.388 8.273 ( -0.991 -3.482 3.991) 5.388 8.474 ( -2.205 -0.202 -4.255) 4.796 8.474 ( 2.205 -0.202 4.255) 4.796 8.690 ( -2.319 -0.806 -4.640) 5.250 8.690 ( 2.319 -0.806 4.640) 5.250 9.170 ( -2.487 -2.466 0.015) 3.502 9.170 ( 2.487 -2.466 -0.015) 3.502 10.827 ( -0.517 -0.478 -2.397) 2.498 10.827 ( 0.517 -0.478 2.397) 2.498 ======================= Grid point 272 (118/140) ======================= q-point: ( 0.17 0.08 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 4.363 6.693 -5.795) 9.870 1.756 ( 3.908 5.841 7.769) 10.476 1.921 ( 10.543 1.537 3.512) 11.219 1.991 ( 9.679 4.636 -3.585) 11.315 2.415 ( -4.582 6.459 -4.909) 9.317 2.517 ( -1.633 6.295 4.890) 8.137 2.976 ( -2.414 3.117 11.478) 12.137 3.172 ( 5.651 3.703 -10.973) 12.886 3.530 ( -1.006 2.838 9.317) 9.792 3.552 ( -6.886 1.373 -13.123) 14.883 3.813 ( -1.919 -4.003 1.933) 4.842 4.110 ( 4.066 1.220 4.458) 6.156 4.193 ( -4.109 -2.709 3.132) 5.834 4.297 ( -0.945 -5.801 -7.417) 9.463 4.963 ( -2.753 1.356 12.715) 13.080 5.018 ( -1.060 0.713 -13.577) 13.637 5.242 ( -1.764 -2.220 1.294) 3.117 5.299 ( 0.434 -2.126 -2.930) 3.646 5.953 ( -7.700 1.721 -1.638) 8.058 6.087 ( -8.320 4.615 0.177) 9.516 6.589 ( 7.229 -2.169 1.828) 7.766 6.751 ( 7.699 0.803 2.048) 8.007 7.070 ( -2.759 0.186 -5.909) 6.524 7.172 ( -2.977 -1.175 5.447) 6.318 7.393 ( 6.113 -1.204 4.208) 7.519 7.504 ( 6.700 -1.076 -3.821) 7.788 8.222 ( -3.066 -3.713 2.942) 5.643 8.274 ( -1.127 -2.636 -2.702) 3.940 8.453 ( 0.689 0.868 -3.443) 3.617 8.546 ( 3.943 -1.357 3.050) 5.166 8.649 ( -0.978 -4.308 -1.864) 4.795 8.760 ( 3.292 0.771 4.299) 5.470 9.087 ( -4.954 -3.623 -0.103) 6.138 9.182 ( -1.411 -0.087 -0.365) 1.460 10.811 ( -0.860 -0.446 -2.304) 2.499 10.829 ( -0.358 -0.407 2.221) 2.286 ======================= Grid point 274 (119/140) ======================= q-point: ( 0.33 0.08 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 11.059 6.577 1.454) 12.949 1.891 ( 8.990 6.460 -0.383) 11.077 2.143 ( 8.230 2.642 5.846) 10.435 2.168 ( 3.939 5.726 -0.629) 6.979 2.340 ( 0.171 3.671 -7.552) 8.399 2.434 ( -5.095 5.532 0.921) 7.577 2.897 ( -5.144 -1.548 0.750) 5.424 3.089 ( -12.342 -2.419 5.632) 13.780 3.539 ( 5.837 3.480 20.765) 21.849 3.623 ( 8.811 5.843 -21.411) 23.879 3.809 ( 0.899 -0.944 -11.729) 11.802 4.106 ( -4.345 3.270 9.501) 10.948 4.134 ( -1.328 -2.638 0.854) 3.074 4.234 ( -4.746 -6.033 -2.871) 8.196 4.918 ( -1.177 0.949 13.457) 13.541 4.973 ( -2.738 0.047 -14.778) 15.029 5.225 ( 0.391 -1.136 0.233) 1.224 5.296 ( -0.949 -1.125 -1.846) 2.361 5.819 ( -4.696 1.787 0.302) 5.034 5.895 ( -8.111 4.754 -0.341) 9.408 6.752 ( 6.838 -2.085 0.760) 7.189 6.863 ( 2.609 0.505 2.311) 3.521 7.043 ( 0.022 0.039 -7.502) 7.502 7.103 ( -2.872 -0.721 6.715) 7.339 7.539 ( 6.663 -1.977 3.785) 7.913 7.621 ( 3.816 -1.708 -3.604) 5.519 8.172 ( -1.149 -3.648 2.391) 4.511 8.235 ( -2.460 -2.716 -2.112) 4.230 8.497 ( 3.148 0.584 -3.001) 4.388 8.598 ( -0.023 -2.168 1.479) 2.624 8.666 ( 3.188 -6.135 0.043) 6.914 8.801 ( -0.242 -1.479 3.000) 3.354 9.004 ( -1.666 -1.084 0.908) 2.185 9.121 ( -4.042 1.907 -1.015) 4.583 10.798 ( -0.315 -0.354 -2.159) 2.211 10.815 ( -0.858 -0.312 2.086) 2.277 ======================= Grid point 275 (120/140) ======================= q-point: (-0.50 0.08 0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -5.117 5.998 -5.977) 9.894 2.014 ( 5.117 5.998 5.977) 9.894 2.149 ( 3.089 6.911 -5.021) 9.084 2.149 ( -3.089 6.911 5.021) 9.084 2.405 ( 0.415 2.394 -3.890) 4.586 2.405 ( -0.415 2.394 3.890) 4.586 2.865 ( 4.539 -3.436 -9.387) 10.978 2.865 ( -4.539 -3.436 9.387) 10.978 3.669 ( -4.361 3.284 -24.236) 24.843 3.669 ( 4.361 3.284 24.236) 24.843 3.946 ( 9.001 3.534 -19.911) 22.135 3.946 ( -9.001 3.534 19.911) 22.135 4.144 ( -2.641 -4.247 -1.106) 5.122 4.144 ( 2.641 -4.247 1.106) 5.122 4.924 ( -1.573 0.240 -14.344) 14.432 4.924 ( 1.573 0.240 14.344) 14.432 5.257 ( -0.992 -0.839 -1.990) 2.377 5.257 ( 0.992 -0.839 1.990) 2.377 5.788 ( -1.046 3.395 -3.816) 5.213 5.788 ( 1.046 3.395 3.816) 5.213 6.854 ( -0.193 -0.739 -3.179) 3.269 6.854 ( 0.193 -0.739 3.179) 3.269 7.061 ( 1.438 -0.419 -8.676) 8.804 7.061 ( -1.438 -0.419 8.676) 8.804 7.637 ( -2.256 -1.931 -3.244) 4.398 7.637 ( 2.256 -1.931 3.244) 4.398 8.184 ( -1.585 -3.505 -2.590) 4.637 8.184 ( 1.585 -3.505 2.590) 4.637 8.564 ( 2.573 -1.436 -2.149) 3.647 8.564 ( -2.573 -1.436 2.149) 3.647 8.746 ( -1.668 -4.981 -1.607) 5.493 8.746 ( 1.668 -4.981 1.607) 5.493 9.035 ( -3.646 2.260 -2.008) 4.736 9.035 ( 3.646 2.260 2.008) 4.736 10.800 ( 0.501 -0.291 -2.093) 2.172 10.800 ( -0.501 -0.291 2.093) 2.172 ======================= Grid point 280 (121/140) ======================= q-point: ( 0.00 0.15 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -0.546 7.353 -16.177) 17.778 1.776 ( 0.546 7.353 16.177) 17.778 1.973 ( 1.181 9.650 -18.369) 20.783 1.973 ( -1.181 9.650 18.369) 20.783 2.666 ( -2.431 9.919 -4.884) 11.320 2.666 ( 2.431 9.919 4.884) 11.320 3.177 ( -1.968 6.983 -13.750) 15.547 3.177 ( 1.968 6.983 13.750) 15.547 3.614 ( 1.151 2.038 -12.537) 12.754 3.614 ( -1.151 2.038 12.537) 12.754 3.883 ( 11.107 -5.245 -7.034) 14.154 3.883 ( -11.107 -5.245 7.034) 14.154 4.201 ( 1.560 -2.548 -5.044) 5.863 4.201 ( -1.560 -2.548 5.044) 5.863 5.039 ( 1.037 1.153 -7.954) 8.104 5.039 ( -1.037 1.153 7.954) 8.104 5.222 ( 0.068 -2.344 -3.418) 4.145 5.222 ( -0.068 -2.344 3.418) 4.145 6.160 ( -7.497 1.696 -0.696) 7.718 6.160 ( 7.497 1.696 0.696) 7.718 6.577 ( -7.056 -0.501 0.160) 7.076 6.577 ( 7.056 -0.501 -0.160) 7.076 7.133 ( -2.559 -0.910 -4.584) 5.328 7.133 ( 2.559 -0.910 4.584) 5.328 7.360 ( -1.190 -1.326 -2.718) 3.250 7.360 ( 1.190 -1.326 2.718) 3.250 8.174 ( 1.127 -6.576 -4.449) 8.019 8.174 ( -1.127 -6.576 4.449) 8.019 8.449 ( 0.875 -2.801 -1.432) 3.265 8.449 ( -0.875 -2.801 1.432) 3.265 8.680 ( -4.252 -0.095 -8.012) 9.071 8.680 ( 4.252 -0.095 8.012) 9.071 9.109 ( -3.641 -3.590 0.233) 5.119 9.109 ( 3.641 -3.590 -0.233) 5.119 10.815 ( -0.468 -0.775 -4.057) 4.157 10.815 ( 0.468 -0.775 4.057) 4.157 ======================= Grid point 282 (122/140) ======================= q-point: ( 0.17 0.15 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 5.117 9.266 0.101) 10.586 1.907 ( 7.194 8.267 -4.185) 11.730 1.995 ( 6.789 7.198 9.925) 14.014 2.109 ( 8.682 7.850 -5.614) 12.982 2.584 ( -5.069 10.273 -4.981) 12.492 2.674 ( -2.172 9.093 4.943) 10.575 3.038 ( -7.471 2.980 -0.944) 8.099 3.247 ( -2.570 2.569 8.459) 9.207 3.585 ( -3.261 3.073 -11.029) 11.904 3.623 ( 2.883 5.721 1.124) 6.504 3.738 ( 0.730 -2.829 3.770) 4.770 4.059 ( 3.724 -7.323 -0.705) 8.246 4.147 ( -2.429 -2.584 1.467) 3.838 4.221 ( 0.267 0.719 -1.998) 2.140 4.995 ( -2.801 1.750 8.247) 8.884 5.030 ( -1.852 0.394 -8.799) 9.000 5.198 ( -0.537 -1.754 0.018) 1.835 5.260 ( 1.723 -1.511 -0.737) 2.407 5.990 ( -7.699 1.747 0.270) 7.899 6.176 ( -7.355 3.827 -0.629) 8.315 6.542 ( 6.375 -2.405 3.323) 7.580 6.758 ( 7.536 -0.464 -0.457) 7.564 7.077 ( -2.202 0.512 -3.272) 3.977 7.141 ( -2.268 -1.845 2.475) 3.830 7.359 ( 4.065 -2.148 1.988) 5.009 7.467 ( 5.574 -2.751 -1.649) 6.431 8.123 ( -2.635 -6.294 2.691) 7.335 8.194 ( -0.089 -5.583 -3.172) 6.422 8.438 ( 0.675 -3.530 1.646) 3.953 8.505 ( 3.237 -3.229 -0.485) 4.598 8.587 ( -3.752 -1.012 -6.721) 7.764 8.758 ( 2.275 -0.707 6.828) 7.231 9.023 ( -3.727 -2.811 0.469) 4.692 9.153 ( 0.459 -2.596 -0.477) 2.679 10.800 ( -0.766 -0.705 -3.466) 3.619 10.818 ( -0.256 -0.730 3.460) 3.546 ======================= Grid point 284 (123/140) ======================= q-point: ( 0.33 0.15 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 10.230 8.500 1.677) 13.406 2.066 ( 8.659 10.945 -3.481) 14.384 2.201 ( 10.042 3.439 6.572) 12.485 2.299 ( 8.496 7.336 -1.782) 11.366 2.469 ( -5.110 9.287 -7.143) 12.782 2.574 ( -6.940 8.194 2.011) 10.925 2.868 ( -8.305 -0.975 -2.482) 8.723 3.030 ( -14.090 -3.308 8.514) 16.792 3.638 ( 5.982 6.275 16.234) 18.403 3.738 ( 4.184 4.099 -12.710) 13.995 3.801 ( 6.560 0.646 -10.927) 12.761 4.059 ( -1.327 -6.181 1.964) 6.620 4.094 ( -3.178 -3.178 -0.804) 4.566 4.209 ( -2.502 5.137 2.738) 6.336 4.942 ( -1.911 1.437 9.372) 9.672 4.975 ( -2.893 0.267 -10.049) 10.461 5.205 ( 1.297 -0.591 -0.699) 1.588 5.280 ( -0.207 -0.314 0.060) 0.381 5.866 ( -3.631 2.644 1.641) 4.782 5.990 ( -8.466 4.505 -1.344) 9.684 6.707 ( 7.591 -2.466 3.523) 8.725 6.860 ( 1.893 -0.984 -0.865) 2.302 7.048 ( -0.579 0.471 -4.452) 4.514 7.084 ( -2.385 -1.105 3.229) 4.164 7.475 ( 5.848 -4.642 2.926) 8.020 7.561 ( 2.863 -4.558 -2.723) 6.033 8.083 ( -0.785 -5.311 2.386) 5.875 8.164 ( -2.704 -4.430 -2.488) 5.756 8.471 ( 2.196 -5.264 1.952) 6.028 8.533 ( -0.897 -1.828 -4.255) 4.717 8.580 ( 3.259 -3.493 -2.027) 5.190 8.746 ( -3.420 -3.431 4.071) 6.328 8.998 ( 1.565 -0.125 2.219) 2.718 9.129 ( -2.606 -0.979 -1.028) 2.968 10.788 ( -0.224 -0.603 -3.335) 3.397 10.806 ( -0.778 -0.620 3.333) 3.478 ======================= Grid point 285 (124/140) ======================= q-point: (-0.50 0.15 0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -4.974 7.753 -3.531) 9.865 2.157 ( 4.974 7.753 3.531) 9.865 2.324 ( -3.342 10.401 -4.389) 11.774 2.324 ( 3.342 10.401 4.389) 11.774 2.472 ( -1.649 4.494 -4.439) 6.529 2.472 ( 1.649 4.494 4.439) 6.529 2.797 ( 4.815 -2.650 -10.923) 12.228 2.797 ( -4.815 -2.650 10.923) 12.228 3.740 ( -2.480 3.528 -15.944) 16.517 3.740 ( 2.480 3.528 15.944) 16.517 3.970 ( 5.817 -4.046 -10.567) 12.723 3.970 ( -5.817 -4.046 10.567) 12.723 4.115 ( -0.391 4.666 -1.980) 5.084 4.115 ( 0.391 4.666 1.980) 5.084 4.931 ( -0.890 0.639 -10.485) 10.542 4.931 ( 0.890 0.639 10.485) 10.542 5.248 ( 0.165 0.064 -1.961) 1.969 5.248 ( -0.165 0.064 1.961) 1.969 5.863 ( -3.223 3.939 -1.977) 5.460 5.863 ( 3.223 3.939 1.977) 5.460 6.831 ( -3.237 -1.732 -3.496) 5.070 6.831 ( 3.237 -1.732 3.496) 5.070 7.052 ( 0.763 -0.343 -7.232) 7.281 7.052 ( -0.763 -0.343 7.232) 7.281 7.567 ( -2.062 -5.507 -3.523) 6.855 7.567 ( 2.062 -5.507 3.523) 6.855 8.103 ( -2.418 -4.614 -2.195) 5.653 8.103 ( 2.418 -4.614 2.195) 5.653 8.513 ( -1.171 -3.658 -4.064) 5.592 8.513 ( 1.171 -3.658 4.064) 5.592 8.657 ( 2.776 -4.118 -2.202) 5.433 8.657 ( -2.776 -4.118 2.202) 5.433 9.060 ( -3.588 0.212 -2.149) 4.188 9.060 ( 3.588 0.212 2.149) 4.188 10.792 ( 0.461 -0.564 -3.715) 3.785 10.792 ( -0.461 -0.564 3.715) 3.785 ======================= Grid point 290 (125/140) ======================= q-point: ( 0.00 0.23 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.388 9.405 -9.398) 13.302 1.938 ( -0.388 9.405 9.398) 13.302 2.203 ( 0.412 13.630 -12.980) 18.826 2.203 ( -0.412 13.630 12.980) 18.826 2.841 ( -1.133 6.973 -5.180) 8.760 2.841 ( 1.133 6.973 5.180) 8.760 3.271 ( -5.616 2.392 -11.628) 13.133 3.271 ( 5.616 2.392 11.628) 13.133 3.681 ( -0.411 4.647 -3.346) 5.742 3.681 ( 0.411 4.647 3.346) 5.742 3.774 ( 6.193 -4.960 -8.718) 11.787 3.774 ( -6.193 -4.960 8.718) 11.787 4.195 ( -3.047 1.947 -1.960) 4.113 4.195 ( 3.047 1.947 1.960) 4.113 5.042 ( -0.202 -0.926 -3.809) 3.925 5.042 ( 0.202 -0.926 3.809) 3.925 5.216 ( -1.121 2.147 -1.890) 3.073 5.216 ( 1.121 2.147 1.890) 3.073 6.170 ( -6.825 -0.741 -1.495) 7.026 6.170 ( 6.825 -0.741 1.495) 7.026 6.554 ( -4.644 -1.967 -0.826) 5.110 6.554 ( 4.644 -1.967 0.826) 5.110 7.122 ( -0.487 -0.287 -2.350) 2.416 7.122 ( 0.487 -0.287 2.350) 2.416 7.326 ( -1.913 -2.185 -4.882) 5.681 7.326 ( 1.913 -2.185 4.882) 5.681 8.026 ( 2.051 -8.591 -3.482) 9.495 8.026 ( -2.051 -8.591 3.482) 9.495 8.358 ( 1.107 -6.493 -2.586) 7.076 8.358 ( -1.107 -6.493 2.586) 7.076 8.686 ( -3.454 0.648 -8.941) 9.607 8.686 ( 3.454 0.648 8.941) 9.607 9.044 ( -3.053 -2.844 -0.056) 4.173 9.044 ( 3.053 -2.844 0.056) 4.173 10.799 ( -0.391 -0.869 -5.403) 5.487 10.799 ( 0.391 -0.869 5.403) 5.487 ======================= Grid point 292 (126/140) ======================= q-point: ( 0.17 0.23 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 4.731 9.796 2.542) 11.171 2.036 ( 7.700 6.373 -3.209) 10.497 2.219 ( 3.952 14.365 2.649) 15.132 2.300 ( 6.663 11.686 -3.281) 13.846 2.771 ( -4.882 7.655 -3.617) 9.773 2.823 ( -3.558 5.124 3.755) 7.281 3.103 ( -9.393 4.442 -5.872) 11.935 3.235 ( -10.019 -3.194 9.837) 14.399 3.649 ( 2.307 2.343 1.068) 3.457 3.721 ( 1.081 0.858 7.392) 7.520 3.743 ( 3.637 6.041 -9.600) 11.911 3.901 ( 3.549 -6.960 -2.020) 8.070 4.137 ( -1.748 2.334 -2.753) 4.010 4.275 ( 3.704 3.828 2.801) 6.018 5.015 ( -1.972 -0.134 0.436) 2.025 5.036 ( -1.143 0.606 0.309) 1.330 5.197 ( -0.362 2.165 -1.950) 2.936 5.253 ( 2.190 1.156 1.096) 2.708 6.013 ( -6.787 0.545 0.263) 6.814 6.217 ( -5.313 0.248 0.228) 5.324 6.501 ( 5.137 -1.848 3.831) 6.669 6.721 ( 7.110 -3.463 -1.175) 7.996 7.081 ( -2.039 -0.459 0.877) 2.267 7.116 ( -1.788 -0.193 -3.141) 3.620 7.315 ( 1.594 -2.304 -0.330) 2.821 7.399 ( 3.704 -4.151 0.983) 5.649 7.982 ( -1.726 -8.233 3.055) 8.950 8.065 ( 1.277 -7.757 -3.103) 8.452 8.326 ( -0.748 -7.142 1.106) 7.266 8.414 ( 3.114 -6.185 -1.896) 7.180 8.598 ( -3.918 1.324 -5.620) 6.978 8.738 ( 0.051 -1.237 6.935) 7.045 8.981 ( -1.680 -1.510 0.463) 2.306 9.097 ( 1.380 -2.829 -0.458) 3.181 10.785 ( -0.680 -0.788 -4.230) 4.356 10.802 ( -0.209 -0.910 4.269) 4.370 ======================= Grid point 294 (127/140) ======================= q-point: ( 0.33 0.23 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 7.538 6.328 0.758) 9.871 2.221 ( 8.683 3.842 -2.316) 9.774 2.353 ( 8.122 13.248 2.089) 15.680 2.457 ( 7.760 9.053 -0.968) 11.963 2.650 ( -6.541 7.951 -4.596) 11.275 2.693 ( -8.104 2.142 0.326) 8.388 2.902 ( -9.202 5.631 -0.330) 10.794 2.987 ( -11.478 -0.066 6.688) 13.284 3.747 ( 5.232 3.223 7.113) 9.399 3.756 ( 1.846 -0.633 -2.610) 3.259 3.800 ( 1.481 -1.608 -5.108) 5.556 3.932 ( -0.369 -3.893 -0.110) 3.912 4.147 ( 3.340 6.683 -5.434) 9.239 4.317 ( -0.378 5.691 4.220) 7.095 4.972 ( -1.754 1.759 2.178) 3.304 4.996 ( -2.382 2.159 -2.012) 3.793 5.212 ( 1.891 1.637 -1.752) 3.054 5.288 ( 0.494 1.238 1.543) 2.039 5.912 ( -2.398 1.980 0.584) 3.164 6.058 ( -7.877 2.416 0.119) 8.240 6.654 ( 7.555 -3.084 4.833) 9.484 6.817 ( 1.544 -3.725 -2.177) 4.583 7.052 ( -0.707 -0.453 3.031) 3.145 7.071 ( -1.896 0.182 -5.898) 6.198 7.373 ( 3.423 -5.328 2.124) 6.679 7.452 ( 0.985 -6.367 -1.284) 6.569 7.966 ( 0.377 -6.954 2.531) 7.410 8.059 ( -1.998 -6.742 -2.041) 7.322 8.348 ( 3.230 -6.071 -0.449) 6.891 8.486 ( 3.843 -5.494 -2.138) 7.037 8.527 ( -3.293 -0.429 -2.947) 4.440 8.680 ( -4.889 -3.384 4.772) 7.624 8.993 ( 2.339 -0.242 1.667) 2.883 9.097 ( -1.294 -1.897 -0.829) 2.441 10.775 ( -0.186 -0.757 -4.114) 4.187 10.792 ( -0.699 -0.872 4.154) 4.302 ======================= Grid point 295 (128/140) ======================= q-point: (-0.50 0.23 0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -4.467 3.105 -0.265) 5.447 2.270 ( 4.467 3.105 0.265) 5.447 2.515 ( -6.987 7.961 -3.493) 11.153 2.515 ( 6.987 7.961 3.493) 11.153 2.577 ( -3.103 6.645 -8.053) 10.892 2.577 ( 3.103 6.645 8.053) 10.892 2.809 ( 2.211 4.725 -7.413) 9.064 2.809 ( -2.211 4.725 7.413) 9.064 3.781 ( 0.640 -0.227 -2.990) 3.066 3.781 ( -0.640 -0.227 2.990) 3.066 3.878 ( -0.266 -3.060 -2.919) 4.237 3.878 ( 0.266 -3.060 2.919) 4.237 4.253 ( 5.329 7.766 -5.143) 10.732 4.253 ( -5.329 7.766 5.143) 10.732 4.959 ( -0.343 2.631 -6.268) 6.806 4.959 ( 0.343 2.631 6.268) 6.806 5.263 ( 2.431 1.630 -1.899) 3.489 5.263 ( -2.431 1.630 1.899) 3.489 5.929 ( -2.730 2.854 -1.071) 4.092 5.929 ( 2.730 2.854 1.071) 4.092 6.782 ( -4.228 -3.529 -4.268) 6.968 6.782 ( 4.228 -3.529 4.268) 6.968 7.049 ( -0.327 0.022 -5.300) 5.311 7.049 ( 0.327 0.022 5.300) 5.311 7.436 ( -1.562 -7.297 -3.739) 8.346 7.436 ( 1.562 -7.297 3.739) 8.346 8.001 ( -2.582 -6.255 -2.286) 7.142 8.001 ( 2.582 -6.255 2.286) 7.142 8.442 ( -1.150 -3.316 -7.689) 8.452 8.442 ( 1.150 -3.316 7.689) 8.452 8.574 ( 2.686 -4.635 -3.846) 6.594 8.574 ( -2.686 -4.635 3.846) 6.594 9.052 ( -1.925 -0.732 -2.827) 3.498 9.052 ( 1.925 -0.732 2.827) 3.498 10.778 ( 0.394 -0.800 -5.082) 5.160 10.778 ( -0.394 -0.800 5.082) 5.160 ======================= Grid point 300 (129/140) ======================= q-point: ( 0.00 0.31 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -0.655 10.374 -5.844) 11.925 2.133 ( 0.655 10.374 5.844) 11.925 2.478 ( -0.236 14.237 -10.094) 17.453 2.478 ( 0.236 14.237 10.094) 17.453 2.905 ( 1.816 -0.220 -4.308) 4.680 2.905 ( -1.816 -0.220 4.308) 4.680 3.279 ( -0.433 -1.421 -9.539) 9.653 3.279 ( 0.433 -1.421 9.539) 9.653 3.694 ( 2.166 -1.650 -5.165) 5.839 3.694 ( -2.166 -1.650 5.165) 5.839 3.806 ( 4.232 6.703 -3.107) 8.514 3.806 ( -4.232 6.703 3.107) 8.514 4.255 ( -3.778 3.334 -5.784) 7.671 4.255 ( 3.778 3.334 5.784) 7.671 5.022 ( -1.130 -0.569 -2.861) 3.129 5.022 ( 1.130 -0.569 2.861) 3.129 5.304 ( -0.282 6.683 -1.706) 6.903 5.304 ( 0.282 6.683 1.706) 6.903 6.131 ( -4.511 -3.208 -2.753) 6.182 6.131 ( 4.511 -3.208 2.753) 6.182 6.509 ( -0.400 -2.310 -1.741) 2.920 6.509 ( 0.400 -2.310 1.741) 2.920 7.117 ( -1.809 -0.323 -0.154) 1.844 7.117 ( 1.809 -0.323 0.154) 1.844 7.276 ( -1.391 -3.088 -5.921) 6.821 7.276 ( 1.391 -3.088 5.921) 6.821 7.846 ( 0.394 -9.802 -1.710) 9.958 7.846 ( -0.394 -9.802 1.710) 9.958 8.213 ( 0.043 -7.958 -3.783) 8.812 8.213 ( -0.043 -7.958 3.783) 8.812 8.703 ( -2.000 1.051 -6.604) 6.980 8.703 ( 2.000 1.051 6.604) 6.980 9.002 ( -2.589 -1.519 -0.891) 3.131 9.002 ( 2.589 -1.519 0.891) 3.131 10.782 ( -0.314 -0.811 -5.446) 5.515 10.782 ( 0.314 -0.811 5.446) 5.515 ======================= Grid point 302 (130/140) ======================= q-point: ( 0.17 0.31 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 1.884 7.754 -4.259) 9.045 2.191 ( 4.712 9.573 4.026) 11.404 2.510 ( 3.747 14.598 -6.573) 16.442 2.537 ( 4.513 12.414 5.082) 14.152 2.817 ( -6.258 -2.442 2.151) 7.054 2.882 ( -4.262 1.290 -3.512) 5.671 3.167 ( -9.439 -2.329 9.433) 13.546 3.199 ( -5.436 3.084 -7.542) 9.795 3.682 ( 1.271 1.200 2.958) 3.436 3.729 ( 0.419 -0.620 0.326) 0.816 3.771 ( 0.809 0.099 -0.598) 1.011 3.916 ( 4.345 6.659 -2.558) 8.352 4.215 ( 0.413 4.319 -5.506) 7.010 4.351 ( 4.652 3.441 5.688) 8.114 5.012 ( 0.261 0.423 -1.807) 1.874 5.049 ( 1.008 0.858 3.212) 3.474 5.288 ( -0.900 7.024 -2.146) 7.399 5.312 ( 0.675 5.000 1.222) 5.191 6.010 ( -5.055 -0.774 -0.696) 5.161 6.187 ( -2.119 -3.188 2.063) 4.349 6.471 ( 3.057 -1.267 3.212) 4.612 6.633 ( 5.731 -5.129 -1.306) 7.802 7.067 ( -2.116 -0.641 -0.767) 2.340 7.123 ( -1.647 0.302 -2.150) 2.725 7.268 ( 0.612 -2.752 -2.314) 3.647 7.313 ( 1.766 -4.571 3.204) 5.855 7.809 ( -0.973 -9.465 1.232) 9.594 7.892 ( 1.576 -10.135 -0.492) 10.269 8.189 ( 0.439 -6.481 -0.128) 6.497 8.273 ( 3.477 -7.984 -1.338) 8.810 8.624 ( -4.310 1.345 -2.679) 5.250 8.717 ( -2.204 -0.831 4.391) 4.983 8.964 ( -0.155 -0.257 -0.729) 0.788 9.053 ( 1.671 -1.788 0.473) 2.492 10.770 ( -0.641 -0.733 -4.249) 4.360 10.784 ( -0.256 -0.932 4.315) 4.422 ======================= Grid point 304 (131/140) ======================= q-point: ( 0.33 0.31 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 3.162 3.431 -3.707) 5.959 2.302 ( 4.427 5.068 3.698) 7.678 2.592 ( 1.597 7.383 -4.632) 8.860 2.649 ( 4.630 10.310 3.265) 11.764 2.684 ( -2.299 1.487 -0.853) 2.868 2.751 ( -6.841 2.578 -1.475) 7.458 2.993 ( -6.283 2.865 9.101) 11.425 3.077 ( -6.352 7.108 -6.376) 11.468 3.722 ( 1.763 -2.296 1.447) 3.236 3.736 ( 0.587 -1.097 -0.099) 1.248 3.799 ( 2.026 0.733 1.470) 2.608 3.942 ( -1.699 3.338 -3.712) 5.273 4.280 ( 5.146 5.928 -3.748) 8.698 4.414 ( 0.888 3.979 4.881) 6.359 5.024 ( 0.755 3.743 -1.194) 4.001 5.055 ( -0.417 3.766 2.315) 4.440 5.282 ( 0.725 5.763 -2.956) 6.517 5.330 ( 0.432 3.104 2.388) 3.940 5.942 ( -1.122 1.228 -1.461) 2.214 6.083 ( -6.142 0.331 2.716) 6.724 6.586 ( 6.238 -3.989 4.353) 8.589 6.717 ( 1.686 -6.282 -2.398) 6.932 7.041 ( -0.342 -0.464 -1.366) 1.483 7.079 ( -1.909 0.308 -2.032) 2.805 7.286 ( 0.992 -3.484 1.202) 3.817 7.330 ( -0.329 -6.002 0.049) 6.012 7.811 ( 1.158 -8.907 1.093) 9.048 7.894 ( -1.364 -10.253 -0.272) 10.347 8.250 ( 5.317 -4.166 -0.669) 6.788 8.356 ( 4.463 -7.306 -2.030) 8.799 8.528 ( -4.908 0.368 -1.047) 5.032 8.620 ( -6.302 -2.538 3.501) 7.643 8.993 ( 2.274 0.227 -0.262) 2.300 9.066 ( -0.401 -1.298 0.403) 1.417 10.760 ( -0.241 -0.779 -4.164) 4.243 10.774 ( -0.661 -0.974 4.228) 4.389 ======================= Grid point 305 (132/140) ======================= q-point: (-0.50 0.31 0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 3.865 -0.142 -4.141) 5.666 2.288 ( -3.865 -0.142 4.141) 5.666 2.616 ( -4.811 3.534 -2.501) 6.472 2.616 ( 4.811 3.534 2.501) 6.472 2.720 ( 2.108 6.907 -11.142) 13.277 2.720 ( -2.108 6.907 11.142) 13.277 2.956 ( -3.320 8.702 -8.496) 12.606 2.956 ( 3.320 8.702 8.496) 12.606 3.740 ( -0.427 -2.364 -2.964) 3.815 3.740 ( 0.427 -2.364 2.964) 3.815 3.872 ( -4.272 1.361 -4.132) 6.097 3.872 ( 4.272 1.361 4.132) 6.097 4.382 ( 3.037 5.122 -3.905) 7.121 4.382 ( -3.037 5.122 3.905) 7.121 5.040 ( 0.218 5.608 -3.081) 6.402 5.040 ( -0.218 5.608 3.081) 6.402 5.314 ( 1.560 3.623 -3.324) 5.158 5.314 ( -1.560 3.623 3.324) 5.158 5.973 ( 1.762 1.758 -3.617) 4.391 5.973 ( -1.762 1.758 3.617) 4.391 6.693 ( -3.588 -5.587 -4.237) 7.877 6.693 ( 3.588 -5.587 4.237) 7.877 7.050 ( -0.058 -0.035 -2.475) 2.476 7.050 ( 0.058 -0.035 2.475) 2.476 7.310 ( -0.859 -5.387 -2.303) 5.921 7.310 ( 0.859 -5.387 2.303) 5.921 7.851 ( -1.220 -9.299 -2.560) 9.722 7.851 ( 1.220 -9.299 2.560) 9.722 8.378 ( -1.651 -3.873 -7.741) 8.812 8.378 ( 1.651 -3.873 7.741) 8.812 8.493 ( 0.541 -2.967 -4.165) 5.143 8.493 ( -0.541 -2.967 4.165) 5.143 9.040 ( -0.197 -0.421 -3.397) 3.428 9.040 ( 0.197 -0.421 3.397) 3.428 10.761 ( 0.325 -0.899 -5.222) 5.309 10.761 ( -0.325 -0.899 5.222) 5.309 ======================= Grid point 310 (133/140) ======================= q-point: ( 0.00 0.38 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -1.387 8.708 -2.758) 9.239 2.322 ( 1.387 8.708 2.758) 9.239 2.723 ( -0.396 9.960 -8.970) 13.410 2.723 ( 0.396 9.960 8.970) 13.410 2.872 ( 1.839 -1.563 -3.999) 4.671 2.872 ( -1.839 -1.563 3.999) 4.671 3.219 ( 0.213 -4.338 -7.987) 9.092 3.219 ( -0.213 -4.338 7.987) 9.092 3.682 ( 0.323 0.080 -3.458) 3.474 3.682 ( -0.323 0.080 3.458) 3.474 3.953 ( 1.843 8.082 -10.161) 13.114 3.953 ( -1.843 8.082 10.161) 13.114 4.292 ( -2.922 -0.028 -7.682) 8.219 4.292 ( 2.922 -0.028 7.682) 8.219 5.030 ( -1.082 1.364 -2.842) 3.333 5.030 ( 1.082 1.364 2.842) 3.333 5.462 ( 0.415 9.133 -2.906) 9.593 5.462 ( -0.415 9.133 2.906) 9.593 6.054 ( -2.593 -4.302 -3.146) 5.927 6.054 ( 2.593 -4.302 3.146) 5.927 6.473 ( 2.433 -1.358 -2.474) 3.726 6.473 ( -2.433 -1.358 2.474) 3.726 7.108 ( -2.153 -0.656 -1.837) 2.905 7.108 ( 2.153 -0.656 1.837) 2.905 7.200 ( -0.621 -4.843 -2.918) 5.688 7.200 ( 0.621 -4.843 2.918) 5.688 7.664 ( -1.620 -8.217 -2.306) 8.687 7.664 ( 1.620 -8.217 2.306) 8.687 8.074 ( -0.326 -5.891 -3.816) 7.026 8.074 ( 0.326 -5.891 3.816) 7.026 8.726 ( -1.075 1.238 -3.820) 4.157 8.726 ( 1.075 1.238 3.820) 4.157 8.981 ( -1.941 -0.795 -1.315) 2.475 8.981 ( 1.941 -0.795 1.315) 2.475 10.768 ( -0.218 -0.591 -3.979) 4.029 10.768 ( 0.218 -0.591 3.979) 4.029 ======================= Grid point 312 (134/140) ======================= q-point: ( 0.17 0.38 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -1.158 7.263 -2.974) 7.933 2.378 ( 3.392 9.252 2.070) 10.069 2.705 ( -3.878 2.045 1.707) 4.705 2.738 ( -2.045 2.107 -6.616) 7.238 2.790 ( 1.282 7.801 5.750) 9.775 2.888 ( -2.109 1.362 -2.072) 3.255 3.115 ( -5.831 -3.128 2.918) 7.232 3.211 ( -2.085 -1.851 -1.159) 3.020 3.686 ( 0.555 -0.076 0.669) 0.872 3.710 ( 1.237 -0.561 -4.136) 4.353 3.864 ( -2.327 7.660 5.875) 9.930 4.046 ( 1.620 6.069 -7.171) 9.533 4.270 ( 2.319 1.344 -1.918) 3.296 4.389 ( 4.938 0.234 5.497) 7.393 5.037 ( 1.818 1.991 -1.657) 3.165 5.075 ( 2.954 1.711 3.357) 4.788 5.438 ( -1.641 7.575 2.224) 8.064 5.454 ( -1.181 9.205 -3.105) 9.786 5.990 ( -2.287 -0.988 -1.457) 2.886 6.108 ( 0.839 -4.457 3.328) 5.626 6.449 ( 0.858 -1.076 3.034) 3.331 6.542 ( 3.424 -3.909 -2.111) 5.609 7.060 ( -1.829 -0.136 -2.576) 3.162 7.117 ( -1.733 -0.991 0.585) 2.080 7.199 ( 1.681 -4.347 0.492) 4.687 7.226 ( 0.644 -4.542 0.439) 4.608 7.635 ( -0.734 -7.763 -1.558) 7.952 7.692 ( 0.608 -9.589 1.888) 9.792 8.086 ( 2.562 -4.179 -0.737) 4.956 8.129 ( 3.851 -6.275 0.287) 7.368 8.651 ( -4.804 1.455 -0.977) 5.114 8.707 ( -3.907 -0.351 2.000) 4.403 8.968 ( 0.891 0.526 -1.306) 1.666 9.024 ( 1.763 -1.241 1.167) 2.451 10.758 ( -0.630 -0.488 -3.221) 3.318 10.767 ( -0.372 -0.762 3.311) 3.418 ======================= Grid point 314 (135/140) ======================= q-point: ( 0.33 0.38 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -0.920 4.047 -4.102) 5.836 2.405 ( -3.841 4.980 4.191) 7.558 2.588 ( -0.417 -2.404 0.529) 2.496 2.749 ( 0.215 1.083 -2.039) 2.319 2.780 ( -2.556 3.496 -3.614) 5.640 2.870 ( 0.216 7.728 3.029) 8.303 3.038 ( -0.456 2.272 4.505) 5.066 3.163 ( -2.639 1.662 -3.623) 4.780 3.694 ( 0.353 -0.900 1.880) 2.114 3.719 ( -0.205 -0.820 -4.426) 4.506 3.860 ( 1.620 5.824 7.735) 9.817 4.012 ( -3.731 3.416 -9.225) 10.521 4.364 ( 5.258 3.120 0.501) 6.135 4.462 ( 1.558 0.909 3.189) 3.664 5.097 ( 3.527 3.430 -1.132) 5.048 5.137 ( 2.480 4.163 2.837) 5.615 5.406 ( -1.197 4.658 2.602) 5.468 5.423 ( -1.585 7.737 -3.376) 8.589 5.969 ( 0.453 2.008 -2.614) 3.327 6.080 ( -3.078 -0.386 4.448) 5.423 6.504 ( 3.742 -4.293 3.818) 6.856 6.593 ( 0.983 -6.074 -3.112) 6.895 7.034 ( -0.456 -0.226 -3.099) 3.140 7.080 ( -1.619 -0.179 1.290) 2.078 7.225 ( 0.467 -4.520 0.419) 4.563 7.231 ( 0.192 -2.785 0.450) 2.827 7.636 ( 0.712 -8.487 -0.838) 8.558 7.686 ( -1.022 -10.287 0.971) 10.384 8.181 ( 6.247 -2.964 -0.318) 6.921 8.227 ( 5.316 -5.509 -0.374) 7.665 8.539 ( -5.712 0.698 -0.373) 5.766 8.586 ( -7.034 -1.129 1.604) 7.303 9.002 ( 1.910 0.637 -1.147) 2.317 9.046 ( 0.236 -0.859 1.187) 1.484 10.746 ( -0.362 -0.558 -3.178) 3.247 10.756 ( -0.645 -0.830 3.267) 3.432 ======================= Grid point 315 (136/140) ======================= q-point: (-0.50 0.38 0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 3.381 0.829 -4.814) 5.940 2.293 ( -3.381 0.829 4.814) 5.940 2.665 ( -5.115 1.583 -0.763) 5.408 2.665 ( 5.115 1.583 0.763) 5.408 2.823 ( 2.048 3.606 -7.322) 8.415 2.823 ( -2.048 3.606 7.322) 8.415 3.093 ( -2.697 4.950 -8.199) 9.949 3.093 ( 2.697 4.950 8.199) 9.949 3.707 ( -0.787 -1.334 -3.341) 3.683 3.707 ( 0.787 -1.334 3.341) 3.683 3.924 ( -4.161 4.017 -9.300) 10.951 3.924 ( 4.161 4.017 9.300) 10.951 4.450 ( -0.131 2.145 -1.974) 2.918 4.450 ( 0.131 2.145 1.974) 2.918 5.154 ( 1.224 5.440 -1.607) 5.803 5.154 ( -1.224 5.440 1.607) 5.803 5.398 ( -0.441 4.552 -3.890) 6.004 5.398 ( 0.441 4.552 3.890) 6.004 6.009 ( 2.252 2.381 -5.019) 5.994 6.009 ( -2.252 2.381 5.019) 5.994 6.575 ( -2.548 -6.299 -4.222) 8.000 6.575 ( 2.548 -6.299 4.222) 8.000 7.047 ( 0.913 -0.225 -2.552) 2.720 7.047 ( -0.913 -0.225 2.552) 2.720 7.231 ( 0.190 -3.028 -0.760) 3.128 7.231 ( -0.190 -3.028 0.760) 3.128 7.659 ( -0.017 -9.674 -3.210) 10.192 7.659 ( 0.017 -9.674 3.210) 10.192 8.295 ( -0.650 -4.078 -3.978) 5.734 8.295 ( 0.650 -4.078 3.978) 5.734 8.466 ( -0.160 -0.315 -1.338) 1.384 8.466 ( 0.160 -0.315 1.338) 1.384 9.035 ( 0.357 -0.081 -2.717) 2.741 9.035 ( -0.357 -0.081 2.717) 2.741 10.745 ( 0.229 -0.729 -3.868) 3.942 10.745 ( -0.229 -0.729 3.868) 3.942 ======================= Grid point 320 (137/140) ======================= q-point: ( 0.00 0.46 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -1.287 3.651 -0.599) 3.918 2.447 ( 1.287 3.651 0.599) 3.918 2.791 ( -0.440 -0.583 -1.556) 1.719 2.791 ( 0.440 -0.583 1.556) 1.719 2.927 ( -2.181 4.802 -1.773) 5.564 2.927 ( 2.181 4.802 1.773) 5.564 3.132 ( -0.744 -3.841 -4.463) 5.935 3.132 ( 0.744 -3.841 4.463) 5.935 3.688 ( 0.246 0.316 -1.355) 1.413 3.688 ( -0.246 0.316 1.355) 1.413 4.094 ( 0.768 5.615 -8.996) 10.632 4.094 ( -0.768 5.615 8.996) 10.632 4.257 ( -1.029 -2.820 -7.202) 7.803 4.257 ( 1.029 -2.820 7.202) 7.803 5.060 ( -0.440 1.143 -1.311) 1.794 5.060 ( 0.440 1.143 1.311) 1.794 5.614 ( 0.496 5.037 -1.810) 5.375 5.614 ( -0.496 5.037 1.810) 5.375 5.986 ( -0.875 -2.201 -1.480) 2.793 5.986 ( 0.875 -2.201 1.480) 2.793 6.456 ( 1.024 -0.424 -2.055) 2.335 6.456 ( -1.024 -0.424 2.055) 2.335 7.088 ( -1.586 -1.836 -1.587) 2.899 7.088 ( 1.586 -1.836 1.587) 2.899 7.115 ( 0.459 -2.053 -1.410) 2.533 7.115 ( -0.459 -2.053 1.410) 2.533 7.556 ( -0.576 -2.772 -1.287) 3.111 7.556 ( 0.576 -2.772 1.287) 3.111 7.996 ( -0.186 -2.081 -1.605) 2.634 7.996 ( 0.186 -2.081 1.605) 2.634 8.745 ( -0.376 0.589 -1.289) 1.466 8.745 ( 0.376 0.589 1.289) 1.466 8.970 ( -0.738 -0.293 -0.659) 1.032 8.970 ( 0.738 -0.293 0.659) 1.032 10.760 ( -0.080 -0.218 -1.449) 1.467 10.760 ( 0.080 -0.218 1.449) 1.467 ======================= Grid point 322 (138/140) ======================= q-point: ( 0.17 0.46 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -1.570 5.961 -1.634) 6.377 2.498 ( 3.236 0.613 -0.376) 3.315 2.671 ( -9.540 1.752 1.724) 9.852 2.750 ( -3.648 -3.588 1.789) 5.420 2.896 ( -1.208 4.854 -3.662) 6.199 2.960 ( -0.141 0.355 -1.627) 1.672 3.078 ( -1.014 1.712 2.648) 3.312 3.150 ( 0.307 -3.930 2.298) 4.563 3.691 ( 0.157 0.572 -0.869) 1.052 3.703 ( 0.573 -0.454 -3.492) 3.567 4.016 ( -2.778 7.136 2.279) 7.990 4.106 ( -2.353 -1.092 -5.583) 6.156 4.299 ( 5.823 2.694 1.832) 6.672 4.361 ( 5.684 -2.851 2.522) 6.841 5.079 ( 2.442 1.995 -0.297) 3.167 5.098 ( 3.176 0.207 1.540) 3.535 5.570 ( -3.285 5.005 1.755) 6.239 5.591 ( -2.477 3.476 -1.219) 4.439 5.989 ( 1.365 1.224 -0.802) 2.001 6.033 ( 2.719 -3.075 1.640) 4.420 6.439 ( -0.419 0.686 2.581) 2.703 6.479 ( 0.950 -2.899 -1.520) 3.408 7.055 ( -1.431 -0.140 -1.477) 2.061 7.087 ( -0.965 -2.693 -0.070) 2.861 7.127 ( 1.678 -1.088 1.288) 2.379 7.151 ( 1.895 -2.682 0.171) 3.289 7.536 ( -1.067 -2.145 -1.454) 2.802 7.555 ( -0.647 -4.111 0.827) 4.243 8.032 ( 3.734 -1.216 -0.405) 3.948 8.044 ( 4.071 -2.476 0.918) 4.852 8.679 ( -5.087 1.272 -0.170) 5.247 8.698 ( -4.851 -0.677 0.634) 4.939 8.982 ( 1.531 0.920 -0.517) 1.860 9.002 ( 1.765 -1.095 0.691) 2.189 10.752 ( -0.592 -0.066 -1.173) 1.315 10.756 ( -0.500 -0.402 1.284) 1.435 ======================= Grid point 324 (139/140) ======================= q-point: ( 0.33 0.46 -0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -4.417 4.701 -2.324) 6.856 2.435 ( -9.181 -2.655 0.978) 9.607 2.603 ( 4.175 4.550 1.046) 6.263 2.701 ( -0.588 -4.470 1.829) 4.865 2.864 ( -1.459 3.876 -3.359) 5.333 2.920 ( -3.004 -1.413 -1.054) 3.483 3.106 ( 2.527 3.944 3.066) 5.599 3.160 ( 0.365 -1.574 0.358) 1.655 3.687 ( -0.385 0.210 -0.255) 0.507 3.701 ( -0.655 -1.028 -2.901) 3.147 3.985 ( -0.367 5.758 3.229) 6.612 4.048 ( -2.838 -0.462 -5.469) 6.179 4.416 ( 4.583 2.403 1.619) 5.422 4.455 ( 2.855 -1.421 1.238) 3.421 5.157 ( 4.638 2.595 -0.403) 5.330 5.184 ( 4.448 0.284 1.304) 4.644 5.495 ( -3.470 3.912 1.897) 5.562 5.525 ( -3.675 1.753 -1.045) 4.204 6.028 ( 2.087 3.646 -1.324) 4.405 6.074 ( 0.868 -0.709 2.252) 2.516 6.443 ( 0.835 -0.894 2.757) 3.017 6.488 ( -0.269 -4.671 -1.940) 5.065 7.037 ( -0.141 0.833 -0.845) 1.195 7.067 ( -0.958 -1.512 -0.318) 1.818 7.161 ( 1.464 -1.129 0.602) 1.944 7.181 ( 0.769 -2.382 0.635) 2.582 7.518 ( -0.531 -2.940 -1.047) 3.166 7.535 ( -1.081 -4.636 0.257) 4.768 8.141 ( 6.335 -0.872 -0.092) 6.395 8.153 ( 6.012 -2.159 0.594) 6.415 8.554 ( -6.407 0.820 0.003) 6.459 8.569 ( -6.917 -0.730 0.506) 6.974 9.015 ( 1.407 0.760 -0.497) 1.675 9.030 ( 0.832 -0.765 0.673) 1.316 10.740 ( -0.500 -0.097 -1.162) 1.269 10.743 ( -0.601 -0.434 1.272) 1.472 ======================= Grid point 325 (140/140) ======================= q-point: (-0.50 0.46 0.50) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 1.383 0.842 -2.266) 2.785 2.313 ( -1.383 0.842 2.266) 2.785 2.681 ( -2.425 0.247 0.146) 2.442 2.681 ( 2.425 0.247 -0.146) 2.442 2.863 ( 0.722 0.829 -2.114) 2.383 2.863 ( -0.722 0.829 2.114) 2.383 3.151 ( -0.912 1.386 -3.070) 3.490 3.151 ( 0.912 1.386 3.070) 3.490 3.686 ( -0.438 -0.655 -1.229) 1.459 3.686 ( 0.438 -0.655 1.229) 1.459 3.999 ( -1.650 2.627 -4.689) 5.622 3.999 ( 1.650 2.627 4.689) 5.622 4.474 ( -0.613 0.537 -0.932) 1.238 4.474 ( 0.613 0.537 0.932) 1.238 5.232 ( 0.994 2.260 -0.886) 2.623 5.232 ( -0.994 2.260 0.886) 2.623 5.462 ( -1.160 1.659 -1.658) 2.617 5.462 ( 1.160 1.659 1.658) 2.617 6.066 ( 1.159 2.742 -2.227) 3.718 6.066 ( -1.159 2.742 2.227) 3.718 6.469 ( -1.339 -3.770 -2.583) 4.762 6.469 ( 1.339 -3.770 2.583) 4.762 7.047 ( -0.090 0.234 -1.759) 1.777 7.047 ( 0.090 0.234 1.759) 1.777 7.183 ( -0.037 -1.798 -0.797) 1.967 7.183 ( 0.037 -1.798 0.797) 1.967 7.517 ( 0.024 -4.047 -1.655) 4.372 7.517 ( -0.024 -4.047 1.655) 4.372 8.239 ( -0.017 -1.513 -1.278) 1.981 8.239 ( 0.017 -1.513 1.278) 1.981 8.466 ( -0.103 0.062 -0.298) 0.321 8.466 ( 0.103 0.062 0.298) 0.321 9.035 ( 0.189 0.005 -1.022) 1.039 9.035 ( -0.189 0.005 1.022) 1.039 10.735 ( 0.085 -0.282 -1.418) 1.448 10.735 ( -0.085 -0.282 1.418) 1.448 =================== 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 3/16848 10.0 998.122 897.885 622.786 0.000 -75.226 0.000 3/16848 20.0 218.121 218.988 207.078 0.000 -8.365 0.000 3/16848 30.0 89.447 85.987 80.674 0.000 -3.831 0.000 3/16848 40.0 48.373 47.767 42.898 0.000 -2.392 0.000 3/16848 50.0 31.293 31.918 27.943 0.000 -1.722 0.000 3/16848 60.0 22.550 23.617 20.437 0.000 -1.332 0.000 3/16848 70.0 17.418 18.617 16.035 0.000 -1.077 0.000 3/16848 80.0 14.114 15.325 13.178 0.000 -0.898 0.000 3/16848 90.0 11.839 13.015 11.190 0.000 -0.767 0.000 3/16848 100.0 10.192 11.316 9.734 0.000 -0.669 0.000 3/16848 110.0 8.950 10.017 8.624 0.000 -0.592 0.000 3/16848 120.0 7.983 8.993 7.750 0.000 -0.530 0.000 3/16848 130.0 7.209 8.167 7.045 0.000 -0.480 0.000 3/16848 140.0 6.577 7.485 6.462 0.000 -0.439 0.000 3/16848 150.0 6.050 6.912 5.974 0.000 -0.404 0.000 3/16848 160.0 5.604 6.425 5.557 0.000 -0.375 0.000 3/16848 170.0 5.222 6.004 5.197 0.000 -0.349 0.000 3/16848 180.0 4.890 5.638 4.883 0.000 -0.327 0.000 3/16848 190.0 4.600 5.315 4.606 0.000 -0.308 0.000 3/16848 200.0 4.344 5.029 4.360 0.000 -0.291 0.000 3/16848 210.0 4.115 4.773 4.140 0.000 -0.275 0.000 3/16848 220.0 3.910 4.542 3.942 0.000 -0.261 0.000 3/16848 230.0 3.726 4.334 3.763 0.000 -0.249 0.000 3/16848 240.0 3.558 4.144 3.600 0.000 -0.238 0.000 3/16848 250.0 3.406 3.971 3.451 0.000 -0.227 0.000 3/16848 260.0 3.266 3.812 3.313 0.000 -0.218 0.000 3/16848 270.0 3.138 3.666 3.187 0.000 -0.209 0.000 3/16848 280.0 3.019 3.531 3.070 0.000 -0.201 0.000 3/16848 290.0 2.910 3.405 2.962 0.000 -0.194 0.000 3/16848 300.0 2.808 3.289 2.861 0.000 -0.187 0.000 3/16848 310.0 2.714 3.180 2.767 0.000 -0.181 0.000 3/16848 320.0 2.625 3.078 2.679 0.000 -0.175 0.000 3/16848 330.0 2.543 2.983 2.597 0.000 -0.169 0.000 3/16848 340.0 2.465 2.894 2.519 0.000 -0.164 0.000 3/16848 350.0 2.392 2.810 2.447 0.000 -0.159 0.000 3/16848 360.0 2.324 2.730 2.378 0.000 -0.155 0.000 3/16848 370.0 2.259 2.655 2.313 0.000 -0.150 0.000 3/16848 380.0 2.198 2.585 2.252 0.000 -0.146 0.000 3/16848 390.0 2.140 2.517 2.193 0.000 -0.142 0.000 3/16848 400.0 2.085 2.454 2.138 0.000 -0.139 0.000 3/16848 410.0 2.033 2.393 2.086 0.000 -0.135 0.000 3/16848 420.0 1.984 2.336 2.036 0.000 -0.132 0.000 3/16848 430.0 1.937 2.281 1.988 0.000 -0.129 0.000 3/16848 440.0 1.892 2.229 1.943 0.000 -0.126 0.000 3/16848 450.0 1.849 2.179 1.899 0.000 -0.123 0.000 3/16848 460.0 1.808 2.131 1.858 0.000 -0.120 0.000 3/16848 470.0 1.769 2.086 1.818 0.000 -0.118 0.000 3/16848 480.0 1.732 2.042 1.780 0.000 -0.115 0.000 3/16848 490.0 1.696 2.000 1.744 0.000 -0.113 0.000 3/16848 500.0 1.662 1.960 1.709 0.000 -0.110 0.000 3/16848 510.0 1.629 1.921 1.676 0.000 -0.108 0.000 3/16848 520.0 1.597 1.884 1.643 0.000 -0.106 0.000 3/16848 530.0 1.566 1.849 1.612 0.000 -0.104 0.000 3/16848 540.0 1.537 1.814 1.582 0.000 -0.102 0.000 3/16848 550.0 1.509 1.781 1.554 0.000 -0.100 0.000 3/16848 560.0 1.482 1.749 1.526 0.000 -0.098 0.000 3/16848 570.0 1.455 1.719 1.499 0.000 -0.097 0.000 3/16848 580.0 1.430 1.689 1.473 0.000 -0.095 0.000 3/16848 590.0 1.406 1.660 1.448 0.000 -0.093 0.000 3/16848 600.0 1.382 1.632 1.424 0.000 -0.092 0.000 3/16848 610.0 1.359 1.606 1.401 0.000 -0.090 0.000 3/16848 620.0 1.337 1.580 1.378 0.000 -0.089 0.000 3/16848 630.0 1.316 1.555 1.356 0.000 -0.087 0.000 3/16848 640.0 1.295 1.530 1.335 0.000 -0.086 0.000 3/16848 650.0 1.275 1.507 1.315 0.000 -0.085 0.000 3/16848 660.0 1.256 1.484 1.295 0.000 -0.083 0.000 3/16848 670.0 1.237 1.462 1.276 0.000 -0.082 0.000 3/16848 680.0 1.218 1.440 1.257 0.000 -0.081 0.000 3/16848 690.0 1.201 1.419 1.239 0.000 -0.080 0.000 3/16848 700.0 1.183 1.399 1.221 0.000 -0.079 0.000 3/16848 710.0 1.167 1.380 1.204 0.000 -0.077 0.000 3/16848 720.0 1.150 1.360 1.187 0.000 -0.076 0.000 3/16848 730.0 1.135 1.342 1.171 0.000 -0.075 0.000 3/16848 740.0 1.119 1.324 1.155 0.000 -0.074 0.000 3/16848 750.0 1.104 1.306 1.140 0.000 -0.073 0.000 3/16848 760.0 1.090 1.289 1.125 0.000 -0.072 0.000 3/16848 770.0 1.075 1.272 1.110 0.000 -0.071 0.000 3/16848 780.0 1.062 1.256 1.096 0.000 -0.070 0.000 3/16848 790.0 1.048 1.240 1.082 0.000 -0.070 0.000 3/16848 800.0 1.035 1.224 1.069 0.000 -0.069 0.000 3/16848 810.0 1.022 1.209 1.056 0.000 -0.068 0.000 3/16848 820.0 1.010 1.195 1.043 0.000 -0.067 0.000 3/16848 830.0 0.998 1.180 1.030 0.000 -0.066 0.000 3/16848 840.0 0.986 1.166 1.018 0.000 -0.065 0.000 3/16848 850.0 0.974 1.153 1.006 0.000 -0.065 0.000 3/16848 860.0 0.963 1.139 0.994 0.000 -0.064 0.000 3/16848 870.0 0.952 1.126 0.983 0.000 -0.063 0.000 3/16848 880.0 0.941 1.113 0.972 0.000 -0.062 0.000 3/16848 890.0 0.930 1.101 0.961 0.000 -0.062 0.000 3/16848 900.0 0.920 1.089 0.950 0.000 -0.061 0.000 3/16848 910.0 0.910 1.077 0.940 0.000 -0.060 0.000 3/16848 920.0 0.900 1.065 0.930 0.000 -0.060 0.000 3/16848 930.0 0.890 1.054 0.920 0.000 -0.059 0.000 3/16848 940.0 0.881 1.042 0.910 0.000 -0.058 0.000 3/16848 950.0 0.871 1.031 0.900 0.000 -0.058 0.000 3/16848 960.0 0.862 1.021 0.891 0.000 -0.057 0.000 3/16848 970.0 0.853 1.010 0.882 0.000 -0.057 0.000 3/16848 980.0 0.845 1.000 0.873 0.000 -0.056 0.000 3/16848 990.0 0.836 0.990 0.864 0.000 -0.055 0.000 3/16848 1000.0 0.828 0.980 0.856 0.000 -0.055 0.000 3/16848 Thermal conductivity related properties were written into "kappa-m6136.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:19:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|