----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:38:34]------------------------- 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/m (11) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.154403560372909 0.000000000000000 0.000000000000000 b 0.000000000000000 3.542391050000001 0.000000000000000 c -1.688675952749753 0.000000000000000 6.247728169961564 Atomic positions (fractional): *1 Ho 0.21951410136585 0.25000000000000 0.89143987624350 164.930 2 Ho 0.78048589863415 0.75000000000000 0.10856012375650 164.930 *3 H 0.62681930218801 0.25000000000000 0.75892964024863 1.008 *4 H 0.86802995866755 0.75000000000000 0.68791234482193 1.008 5 H 0.13197004133245 0.25000000000000 0.31208765517807 1.008 6 H 0.37318069781199 0.75000000000000 0.24107035975137 1.008 *7 Cl 0.27075461451372 0.75000000000000 0.56804831436736 35.453 8 Cl 0.72924538548628 0.25000000000000 0.43195168563264 35.453 *9 O 0.60387557621647 0.25000000000000 0.90411199720845 15.999 *10 O 0.95738803769344 0.75000000000000 0.83828264203534 15.999 11 O 0.04261196230656 0.25000000000000 0.16171735796466 15.999 12 O 0.39612442378353 0.75000000000000 0.09588800279155 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.154403560372909 0.000000000000000 0.000000000000000 b 0.000000000000000 3.542391050000001 0.000000000000000 c -1.688675952749753 0.000000000000000 6.247728169961564 Atomic positions (fractional): *1 Ho 0.21951410136585 0.25000000000000 0.89143987624350 164.930 > 1 2 Ho 0.78048589863415 0.75000000000000 0.10856012375650 164.930 > 2 *3 H 0.62681930218801 0.25000000000000 0.75892964024863 1.008 > 3 *4 H 0.86802995866755 0.75000000000000 0.68791234482193 1.008 > 4 5 H 0.13197004133245 0.25000000000000 0.31208765517807 1.008 > 5 6 H 0.37318069781199 0.75000000000000 0.24107035975137 1.008 > 6 *7 Cl 0.27075461451372 0.75000000000000 0.56804831436736 35.453 > 7 8 Cl 0.72924538548628 0.25000000000000 0.43195168563264 35.453 > 8 *9 O 0.60387557621647 0.25000000000000 0.90411199720845 15.999 > 9 *10 O 0.95738803769344 0.75000000000000 0.83828264203534 15.999 > 10 11 O 0.04261196230656 0.25000000000000 0.16171735796466 15.999 > 11 12 O 0.39612442378353 0.75000000000000 0.09588800279155 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.308807120745819 0.000000000000000 0.000000000000000 b 0.000000000000000 10.627173150000003 0.000000000000000 c -3.377351905499506 0.000000000000000 12.495456339923129 Atomic positions (fractional): *1 Ho 0.10975705068292 0.08333333333333 0.44571993812175 164.930 > 1 2 Ho 0.60975705068292 0.08333333333333 0.44571993812175 164.930 > 1 3 Ho 0.10975705068292 0.41666666666667 0.44571993812175 164.930 > 1 4 Ho 0.60975705068292 0.41666666666667 0.44571993812175 164.930 > 1 5 Ho 0.10975705068292 0.75000000000000 0.44571993812175 164.930 > 1 6 Ho 0.60975705068292 0.75000000000000 0.44571993812175 164.930 > 1 7 Ho 0.10975705068292 0.08333333333333 0.94571993812175 164.930 > 1 8 Ho 0.60975705068292 0.08333333333333 0.94571993812175 164.930 > 1 9 Ho 0.10975705068292 0.41666666666667 0.94571993812175 164.930 > 1 10 Ho 0.60975705068292 0.41666666666667 0.94571993812175 164.930 > 1 11 Ho 0.10975705068292 0.75000000000000 0.94571993812175 164.930 > 1 12 Ho 0.60975705068292 0.75000000000000 0.94571993812175 164.930 > 1 13 Ho 0.39024294931708 0.25000000000000 0.05428006187825 164.930 > 2 14 Ho 0.89024294931708 0.25000000000000 0.05428006187825 164.930 > 2 15 Ho 0.39024294931708 0.58333333333333 0.05428006187825 164.930 > 2 16 Ho 0.89024294931708 0.58333333333333 0.05428006187825 164.930 > 2 17 Ho 0.39024294931708 0.91666666666667 0.05428006187825 164.930 > 2 18 Ho 0.89024294931708 0.91666666666667 0.05428006187825 164.930 > 2 19 Ho 0.39024294931708 0.25000000000000 0.55428006187825 164.930 > 2 20 Ho 0.89024294931708 0.25000000000000 0.55428006187825 164.930 > 2 21 Ho 0.39024294931708 0.58333333333333 0.55428006187825 164.930 > 2 22 Ho 0.89024294931708 0.58333333333333 0.55428006187825 164.930 > 2 23 Ho 0.39024294931708 0.91666666666667 0.55428006187825 164.930 > 2 24 Ho 0.89024294931708 0.91666666666667 0.55428006187825 164.930 > 2 *25 H 0.31340965109400 0.08333333333333 0.37946482012431 1.008 > 3 26 H 0.81340965109400 0.08333333333333 0.37946482012431 1.008 > 3 27 H 0.31340965109400 0.41666666666667 0.37946482012431 1.008 > 3 28 H 0.81340965109400 0.41666666666667 0.37946482012431 1.008 > 3 29 H 0.31340965109400 0.75000000000000 0.37946482012431 1.008 > 3 30 H 0.81340965109400 0.75000000000000 0.37946482012431 1.008 > 3 31 H 0.31340965109400 0.08333333333333 0.87946482012431 1.008 > 3 32 H 0.81340965109400 0.08333333333333 0.87946482012431 1.008 > 3 33 H 0.31340965109400 0.41666666666667 0.87946482012431 1.008 > 3 34 H 0.81340965109400 0.41666666666667 0.87946482012431 1.008 > 3 35 H 0.31340965109400 0.75000000000000 0.87946482012431 1.008 > 3 36 H 0.81340965109400 0.75000000000000 0.87946482012431 1.008 > 3 *37 H 0.43401497933377 0.25000000000000 0.34395617241097 1.008 > 4 38 H 0.93401497933377 0.25000000000000 0.34395617241097 1.008 > 4 39 H 0.43401497933377 0.58333333333333 0.34395617241097 1.008 > 4 40 H 0.93401497933377 0.58333333333333 0.34395617241097 1.008 > 4 41 H 0.43401497933377 0.91666666666667 0.34395617241097 1.008 > 4 42 H 0.93401497933377 0.91666666666667 0.34395617241097 1.008 > 4 43 H 0.43401497933377 0.25000000000000 0.84395617241097 1.008 > 4 44 H 0.93401497933377 0.25000000000000 0.84395617241097 1.008 > 4 45 H 0.43401497933377 0.58333333333333 0.84395617241097 1.008 > 4 46 H 0.93401497933377 0.58333333333333 0.84395617241097 1.008 > 4 47 H 0.43401497933377 0.91666666666667 0.84395617241097 1.008 > 4 48 H 0.93401497933377 0.91666666666667 0.84395617241097 1.008 > 4 49 H 0.06598502066623 0.08333333333333 0.15604382758903 1.008 > 5 50 H 0.56598502066623 0.08333333333333 0.15604382758903 1.008 > 5 51 H 0.06598502066623 0.41666666666667 0.15604382758903 1.008 > 5 52 H 0.56598502066623 0.41666666666667 0.15604382758903 1.008 > 5 53 H 0.06598502066623 0.75000000000000 0.15604382758903 1.008 > 5 54 H 0.56598502066623 0.75000000000000 0.15604382758903 1.008 > 5 55 H 0.06598502066623 0.08333333333333 0.65604382758903 1.008 > 5 56 H 0.56598502066623 0.08333333333333 0.65604382758903 1.008 > 5 57 H 0.06598502066623 0.41666666666667 0.65604382758903 1.008 > 5 58 H 0.56598502066623 0.41666666666667 0.65604382758903 1.008 > 5 59 H 0.06598502066623 0.75000000000000 0.65604382758903 1.008 > 5 60 H 0.56598502066623 0.75000000000000 0.65604382758903 1.008 > 5 61 H 0.18659034890600 0.25000000000000 0.12053517987569 1.008 > 6 62 H 0.68659034890600 0.25000000000000 0.12053517987569 1.008 > 6 63 H 0.18659034890600 0.58333333333333 0.12053517987569 1.008 > 6 64 H 0.68659034890600 0.58333333333333 0.12053517987569 1.008 > 6 65 H 0.18659034890600 0.91666666666667 0.12053517987569 1.008 > 6 66 H 0.68659034890600 0.91666666666667 0.12053517987569 1.008 > 6 67 H 0.18659034890600 0.25000000000000 0.62053517987569 1.008 > 6 68 H 0.68659034890600 0.25000000000000 0.62053517987569 1.008 > 6 69 H 0.18659034890600 0.58333333333333 0.62053517987569 1.008 > 6 70 H 0.68659034890600 0.58333333333333 0.62053517987569 1.008 > 6 71 H 0.18659034890600 0.91666666666667 0.62053517987569 1.008 > 6 72 H 0.68659034890600 0.91666666666667 0.62053517987569 1.008 > 6 *73 Cl 0.13537730725686 0.25000000000000 0.28402415718368 35.453 > 7 74 Cl 0.63537730725686 0.25000000000000 0.28402415718368 35.453 > 7 75 Cl 0.13537730725686 0.58333333333333 0.28402415718368 35.453 > 7 76 Cl 0.63537730725686 0.58333333333333 0.28402415718368 35.453 > 7 77 Cl 0.13537730725686 0.91666666666667 0.28402415718368 35.453 > 7 78 Cl 0.63537730725686 0.91666666666667 0.28402415718368 35.453 > 7 79 Cl 0.13537730725686 0.25000000000000 0.78402415718368 35.453 > 7 80 Cl 0.63537730725686 0.25000000000000 0.78402415718368 35.453 > 7 81 Cl 0.13537730725686 0.58333333333333 0.78402415718368 35.453 > 7 82 Cl 0.63537730725686 0.58333333333333 0.78402415718368 35.453 > 7 83 Cl 0.13537730725686 0.91666666666667 0.78402415718368 35.453 > 7 84 Cl 0.63537730725686 0.91666666666667 0.78402415718368 35.453 > 7 85 Cl 0.36462269274314 0.08333333333333 0.21597584281632 35.453 > 8 86 Cl 0.86462269274314 0.08333333333333 0.21597584281632 35.453 > 8 87 Cl 0.36462269274314 0.41666666666667 0.21597584281632 35.453 > 8 88 Cl 0.86462269274314 0.41666666666667 0.21597584281632 35.453 > 8 89 Cl 0.36462269274314 0.75000000000000 0.21597584281632 35.453 > 8 90 Cl 0.86462269274314 0.75000000000000 0.21597584281632 35.453 > 8 91 Cl 0.36462269274314 0.08333333333333 0.71597584281632 35.453 > 8 92 Cl 0.86462269274314 0.08333333333333 0.71597584281632 35.453 > 8 93 Cl 0.36462269274314 0.41666666666667 0.71597584281632 35.453 > 8 94 Cl 0.86462269274314 0.41666666666667 0.71597584281632 35.453 > 8 95 Cl 0.36462269274314 0.75000000000000 0.71597584281632 35.453 > 8 96 Cl 0.86462269274314 0.75000000000000 0.71597584281632 35.453 > 8 *97 O 0.30193778810823 0.08333333333333 0.45205599860423 15.999 > 9 98 O 0.80193778810823 0.08333333333333 0.45205599860423 15.999 > 9 99 O 0.30193778810823 0.41666666666667 0.45205599860423 15.999 > 9 100 O 0.80193778810823 0.41666666666667 0.45205599860423 15.999 > 9 101 O 0.30193778810823 0.75000000000000 0.45205599860423 15.999 > 9 102 O 0.80193778810823 0.75000000000000 0.45205599860423 15.999 > 9 103 O 0.30193778810823 0.08333333333333 0.95205599860422 15.999 > 9 104 O 0.80193778810823 0.08333333333333 0.95205599860422 15.999 > 9 105 O 0.30193778810823 0.41666666666667 0.95205599860422 15.999 > 9 106 O 0.80193778810823 0.41666666666667 0.95205599860422 15.999 > 9 107 O 0.30193778810823 0.75000000000000 0.95205599860422 15.999 > 9 108 O 0.80193778810823 0.75000000000000 0.95205599860422 15.999 > 9 *109 O 0.47869401884672 0.25000000000000 0.41914132101767 15.999 > 10 110 O 0.97869401884672 0.25000000000000 0.41914132101767 15.999 > 10 111 O 0.47869401884672 0.58333333333333 0.41914132101767 15.999 > 10 112 O 0.97869401884672 0.58333333333333 0.41914132101767 15.999 > 10 113 O 0.47869401884672 0.91666666666667 0.41914132101767 15.999 > 10 114 O 0.97869401884672 0.91666666666667 0.41914132101767 15.999 > 10 115 O 0.47869401884672 0.25000000000000 0.91914132101767 15.999 > 10 116 O 0.97869401884672 0.25000000000000 0.91914132101767 15.999 > 10 117 O 0.47869401884672 0.58333333333333 0.91914132101767 15.999 > 10 118 O 0.97869401884672 0.58333333333333 0.91914132101767 15.999 > 10 119 O 0.47869401884672 0.91666666666667 0.91914132101767 15.999 > 10 120 O 0.97869401884672 0.91666666666667 0.91914132101767 15.999 > 10 121 O 0.02130598115328 0.08333333333333 0.08085867898233 15.999 > 11 122 O 0.52130598115328 0.08333333333333 0.08085867898233 15.999 > 11 123 O 0.02130598115328 0.41666666666667 0.08085867898233 15.999 > 11 124 O 0.52130598115328 0.41666666666667 0.08085867898233 15.999 > 11 125 O 0.02130598115328 0.75000000000000 0.08085867898233 15.999 > 11 126 O 0.52130598115328 0.75000000000000 0.08085867898233 15.999 > 11 127 O 0.02130598115328 0.08333333333333 0.58085867898233 15.999 > 11 128 O 0.52130598115328 0.08333333333333 0.58085867898233 15.999 > 11 129 O 0.02130598115328 0.41666666666667 0.58085867898233 15.999 > 11 130 O 0.52130598115328 0.41666666666667 0.58085867898233 15.999 > 11 131 O 0.02130598115328 0.75000000000000 0.58085867898233 15.999 > 11 132 O 0.52130598115328 0.75000000000000 0.58085867898233 15.999 > 11 133 O 0.19806221189177 0.25000000000000 0.04794400139578 15.999 > 12 134 O 0.69806221189177 0.25000000000000 0.04794400139578 15.999 > 12 135 O 0.19806221189177 0.58333333333333 0.04794400139578 15.999 > 12 136 O 0.69806221189177 0.58333333333333 0.04794400139578 15.999 > 12 137 O 0.19806221189177 0.91666666666667 0.04794400139578 15.999 > 12 138 O 0.69806221189177 0.91666666666667 0.04794400139578 15.999 > 12 139 O 0.19806221189177 0.25000000000000 0.54794400139578 15.999 > 12 140 O 0.69806221189177 0.25000000000000 0.54794400139578 15.999 > 12 141 O 0.19806221189177 0.58333333333333 0.54794400139578 15.999 > 12 142 O 0.69806221189177 0.58333333333333 0.54794400139578 15.999 > 12 143 O 0.19806221189177 0.91666666666667 0.54794400139578 15.999 > 12 144 O 0.69806221189177 0.91666666666667 0.54794400139578 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4796971 0.0000000 -0.1161599 0.0000000 3.7217887 0.0000000 -0.1161597 0.0000000 3.6750629 -------------------------- Born effective charges -------------------------- 1 Ho 3.6437172 0.0000000 -0.0831426 0.0000000 4.0276755 0.0000000 -0.1269500 0.0000000 3.4712648 2 Ho 3.6437172 0.0000000 -0.0831426 0.0000000 4.0276755 0.0000000 -0.1269500 0.0000000 3.4712648 3 H 0.5476274 0.0000000 -0.1815312 0.0000000 0.3815942 0.0000000 -0.1964272 0.0000000 0.7651325 4 H 0.3395522 0.0000000 0.0628897 0.0000000 0.6109005 0.0000000 0.0827139 0.0000000 0.6576103 5 H 0.3395522 0.0000000 0.0628897 0.0000000 0.6109005 0.0000000 0.0827139 0.0000000 0.6576103 6 H 0.5476274 0.0000000 -0.1815312 0.0000000 0.3815942 0.0000000 -0.1964272 0.0000000 0.7651325 7 Cl -0.8865356 0.0000000 0.1889731 0.0000000 -1.3832262 0.0000000 0.2049321 0.0000000 -1.5635900 8 Cl -0.8865356 0.0000000 0.1889731 0.0000000 -1.3832262 0.0000000 0.2049321 0.0000000 -1.5635900 9 O -1.7882786 0.0000000 -0.2640684 0.0000000 -1.9064780 0.0000000 -0.2251147 0.0000000 -1.6334336 10 O -1.8560826 0.0000000 0.2768794 0.0000000 -1.7304661 0.0000000 0.2608459 0.0000000 -1.6969840 11 O -1.8560826 0.0000000 0.2768794 0.0000000 -1.7304661 0.0000000 0.2608459 0.0000000 -1.6969840 12 O -1.7882786 0.0000000 -0.2640684 0.0000000 -1.9064780 0.0000000 -0.2251147 0.0000000 -1.6334336 ---------------------------------------------------------------------------- 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: 2160 Number of blocks in projector: 2160 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 0.807 Solver_block: 200 / 400 - Time: 0.788 Solver_block: 300 / 400 - Time: 0.784 Solver_block: 400 / 400 - Time: 0.788 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.248 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 2160 Number of blocks in projector: 2160 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), 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 2026-01-09 04:38:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:38:59]------------------------- 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/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.154403560372909 0.000000000000000 0.000000000000000 b 0.000000000000000 3.542391050000001 0.000000000000000 c -1.688675952749753 0.000000000000000 6.247728169961564 Atomic positions (fractional): 1 Ho 0.21951410136585 0.25000000000000 0.89143987624350 164.930 2 Ho 0.78048589863415 0.75000000000000 0.10856012375650 164.930 3 H 0.62681930218801 0.25000000000000 0.75892964024863 1.008 4 H 0.86802995866755 0.75000000000000 0.68791234482193 1.008 5 H 0.13197004133245 0.25000000000000 0.31208765517807 1.008 6 H 0.37318069781199 0.75000000000000 0.24107035975137 1.008 7 Cl 0.27075461451372 0.75000000000000 0.56804831436736 35.453 8 Cl 0.72924538548628 0.25000000000000 0.43195168563264 35.453 9 O 0.60387557621647 0.25000000000000 0.90411199720845 15.999 10 O 0.95738803769344 0.75000000000000 0.83828264203534 15.999 11 O 0.04261196230656 0.25000000000000 0.16171735796466 15.999 12 O 0.39612442378353 0.75000000000000 0.09588800279155 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.308807120745819 0.000000000000000 0.000000000000000 b 0.000000000000000 10.627173150000003 0.000000000000000 c -3.377351905499506 0.000000000000000 12.495456339923129 Atomic positions (fractional): 1 Ho 0.10975705068292 0.08333333333333 0.44571993812175 164.930 > 1 2 Ho 0.60975705068292 0.08333333333333 0.44571993812175 164.930 > 1 3 Ho 0.10975705068292 0.41666666666667 0.44571993812175 164.930 > 1 4 Ho 0.60975705068292 0.41666666666667 0.44571993812175 164.930 > 1 5 Ho 0.10975705068292 0.75000000000000 0.44571993812175 164.930 > 1 6 Ho 0.60975705068292 0.75000000000000 0.44571993812175 164.930 > 1 7 Ho 0.10975705068292 0.08333333333333 0.94571993812175 164.930 > 1 8 Ho 0.60975705068292 0.08333333333333 0.94571993812175 164.930 > 1 9 Ho 0.10975705068292 0.41666666666667 0.94571993812175 164.930 > 1 10 Ho 0.60975705068292 0.41666666666667 0.94571993812175 164.930 > 1 11 Ho 0.10975705068292 0.75000000000000 0.94571993812175 164.930 > 1 12 Ho 0.60975705068292 0.75000000000000 0.94571993812175 164.930 > 1 13 Ho 0.39024294931708 0.25000000000000 0.05428006187825 164.930 > 13 14 Ho 0.89024294931708 0.25000000000000 0.05428006187825 164.930 > 13 15 Ho 0.39024294931708 0.58333333333333 0.05428006187825 164.930 > 13 16 Ho 0.89024294931708 0.58333333333333 0.05428006187825 164.930 > 13 17 Ho 0.39024294931708 0.91666666666667 0.05428006187825 164.930 > 13 18 Ho 0.89024294931708 0.91666666666667 0.05428006187825 164.930 > 13 19 Ho 0.39024294931708 0.25000000000000 0.55428006187825 164.930 > 13 20 Ho 0.89024294931708 0.25000000000000 0.55428006187825 164.930 > 13 21 Ho 0.39024294931708 0.58333333333333 0.55428006187825 164.930 > 13 22 Ho 0.89024294931708 0.58333333333333 0.55428006187825 164.930 > 13 23 Ho 0.39024294931708 0.91666666666667 0.55428006187825 164.930 > 13 24 Ho 0.89024294931708 0.91666666666667 0.55428006187825 164.930 > 13 25 H 0.31340965109400 0.08333333333333 0.37946482012431 1.008 > 25 26 H 0.81340965109400 0.08333333333333 0.37946482012431 1.008 > 25 27 H 0.31340965109400 0.41666666666667 0.37946482012431 1.008 > 25 28 H 0.81340965109400 0.41666666666667 0.37946482012431 1.008 > 25 29 H 0.31340965109400 0.75000000000000 0.37946482012431 1.008 > 25 30 H 0.81340965109400 0.75000000000000 0.37946482012431 1.008 > 25 31 H 0.31340965109400 0.08333333333333 0.87946482012431 1.008 > 25 32 H 0.81340965109400 0.08333333333333 0.87946482012431 1.008 > 25 33 H 0.31340965109400 0.41666666666667 0.87946482012431 1.008 > 25 34 H 0.81340965109400 0.41666666666667 0.87946482012431 1.008 > 25 35 H 0.31340965109400 0.75000000000000 0.87946482012431 1.008 > 25 36 H 0.81340965109400 0.75000000000000 0.87946482012431 1.008 > 25 37 H 0.43401497933377 0.25000000000000 0.34395617241097 1.008 > 37 38 H 0.93401497933377 0.25000000000000 0.34395617241097 1.008 > 37 39 H 0.43401497933377 0.58333333333333 0.34395617241097 1.008 > 37 40 H 0.93401497933377 0.58333333333333 0.34395617241097 1.008 > 37 41 H 0.43401497933377 0.91666666666667 0.34395617241097 1.008 > 37 42 H 0.93401497933377 0.91666666666667 0.34395617241097 1.008 > 37 43 H 0.43401497933377 0.25000000000000 0.84395617241097 1.008 > 37 44 H 0.93401497933377 0.25000000000000 0.84395617241097 1.008 > 37 45 H 0.43401497933377 0.58333333333333 0.84395617241097 1.008 > 37 46 H 0.93401497933377 0.58333333333333 0.84395617241097 1.008 > 37 47 H 0.43401497933377 0.91666666666667 0.84395617241097 1.008 > 37 48 H 0.93401497933377 0.91666666666667 0.84395617241097 1.008 > 37 49 H 0.06598502066623 0.08333333333333 0.15604382758903 1.008 > 49 50 H 0.56598502066623 0.08333333333333 0.15604382758903 1.008 > 49 51 H 0.06598502066623 0.41666666666667 0.15604382758903 1.008 > 49 52 H 0.56598502066623 0.41666666666667 0.15604382758903 1.008 > 49 53 H 0.06598502066623 0.75000000000000 0.15604382758903 1.008 > 49 54 H 0.56598502066623 0.75000000000000 0.15604382758903 1.008 > 49 55 H 0.06598502066623 0.08333333333333 0.65604382758903 1.008 > 49 56 H 0.56598502066623 0.08333333333333 0.65604382758903 1.008 > 49 57 H 0.06598502066623 0.41666666666667 0.65604382758903 1.008 > 49 58 H 0.56598502066623 0.41666666666667 0.65604382758903 1.008 > 49 59 H 0.06598502066623 0.75000000000000 0.65604382758903 1.008 > 49 60 H 0.56598502066623 0.75000000000000 0.65604382758903 1.008 > 49 61 H 0.18659034890600 0.25000000000000 0.12053517987569 1.008 > 61 62 H 0.68659034890600 0.25000000000000 0.12053517987569 1.008 > 61 63 H 0.18659034890600 0.58333333333333 0.12053517987569 1.008 > 61 64 H 0.68659034890600 0.58333333333333 0.12053517987569 1.008 > 61 65 H 0.18659034890600 0.91666666666667 0.12053517987569 1.008 > 61 66 H 0.68659034890600 0.91666666666667 0.12053517987569 1.008 > 61 67 H 0.18659034890600 0.25000000000000 0.62053517987569 1.008 > 61 68 H 0.68659034890600 0.25000000000000 0.62053517987569 1.008 > 61 69 H 0.18659034890600 0.58333333333333 0.62053517987569 1.008 > 61 70 H 0.68659034890600 0.58333333333333 0.62053517987569 1.008 > 61 71 H 0.18659034890600 0.91666666666667 0.62053517987569 1.008 > 61 72 H 0.68659034890600 0.91666666666667 0.62053517987569 1.008 > 61 73 Cl 0.13537730725686 0.25000000000000 0.28402415718368 35.453 > 73 74 Cl 0.63537730725686 0.25000000000000 0.28402415718368 35.453 > 73 75 Cl 0.13537730725686 0.58333333333333 0.28402415718368 35.453 > 73 76 Cl 0.63537730725686 0.58333333333333 0.28402415718368 35.453 > 73 77 Cl 0.13537730725686 0.91666666666667 0.28402415718368 35.453 > 73 78 Cl 0.63537730725686 0.91666666666667 0.28402415718368 35.453 > 73 79 Cl 0.13537730725686 0.25000000000000 0.78402415718368 35.453 > 73 80 Cl 0.63537730725686 0.25000000000000 0.78402415718368 35.453 > 73 81 Cl 0.13537730725686 0.58333333333333 0.78402415718368 35.453 > 73 82 Cl 0.63537730725686 0.58333333333333 0.78402415718368 35.453 > 73 83 Cl 0.13537730725686 0.91666666666667 0.78402415718368 35.453 > 73 84 Cl 0.63537730725686 0.91666666666667 0.78402415718368 35.453 > 73 85 Cl 0.36462269274314 0.08333333333333 0.21597584281632 35.453 > 85 86 Cl 0.86462269274314 0.08333333333333 0.21597584281632 35.453 > 85 87 Cl 0.36462269274314 0.41666666666667 0.21597584281632 35.453 > 85 88 Cl 0.86462269274314 0.41666666666667 0.21597584281632 35.453 > 85 89 Cl 0.36462269274314 0.75000000000000 0.21597584281632 35.453 > 85 90 Cl 0.86462269274314 0.75000000000000 0.21597584281632 35.453 > 85 91 Cl 0.36462269274314 0.08333333333333 0.71597584281632 35.453 > 85 92 Cl 0.86462269274314 0.08333333333333 0.71597584281632 35.453 > 85 93 Cl 0.36462269274314 0.41666666666667 0.71597584281632 35.453 > 85 94 Cl 0.86462269274314 0.41666666666667 0.71597584281632 35.453 > 85 95 Cl 0.36462269274314 0.75000000000000 0.71597584281632 35.453 > 85 96 Cl 0.86462269274314 0.75000000000000 0.71597584281632 35.453 > 85 97 O 0.30193778810823 0.08333333333333 0.45205599860423 15.999 > 97 98 O 0.80193778810823 0.08333333333333 0.45205599860423 15.999 > 97 99 O 0.30193778810823 0.41666666666667 0.45205599860423 15.999 > 97 100 O 0.80193778810823 0.41666666666667 0.45205599860423 15.999 > 97 101 O 0.30193778810823 0.75000000000000 0.45205599860423 15.999 > 97 102 O 0.80193778810823 0.75000000000000 0.45205599860423 15.999 > 97 103 O 0.30193778810823 0.08333333333333 0.95205599860422 15.999 > 97 104 O 0.80193778810823 0.08333333333333 0.95205599860422 15.999 > 97 105 O 0.30193778810823 0.41666666666667 0.95205599860422 15.999 > 97 106 O 0.80193778810823 0.41666666666667 0.95205599860422 15.999 > 97 107 O 0.30193778810823 0.75000000000000 0.95205599860422 15.999 > 97 108 O 0.80193778810823 0.75000000000000 0.95205599860422 15.999 > 97 109 O 0.47869401884672 0.25000000000000 0.41914132101767 15.999 > 109 110 O 0.97869401884672 0.25000000000000 0.41914132101767 15.999 > 109 111 O 0.47869401884672 0.58333333333333 0.41914132101767 15.999 > 109 112 O 0.97869401884672 0.58333333333333 0.41914132101767 15.999 > 109 113 O 0.47869401884672 0.91666666666667 0.41914132101767 15.999 > 109 114 O 0.97869401884672 0.91666666666667 0.41914132101767 15.999 > 109 115 O 0.47869401884672 0.25000000000000 0.91914132101767 15.999 > 109 116 O 0.97869401884672 0.25000000000000 0.91914132101767 15.999 > 109 117 O 0.47869401884672 0.58333333333333 0.91914132101767 15.999 > 109 118 O 0.97869401884672 0.58333333333333 0.91914132101767 15.999 > 109 119 O 0.47869401884672 0.91666666666667 0.91914132101767 15.999 > 109 120 O 0.97869401884672 0.91666666666667 0.91914132101767 15.999 > 109 121 O 0.02130598115328 0.08333333333333 0.08085867898233 15.999 > 121 122 O 0.52130598115328 0.08333333333333 0.08085867898233 15.999 > 121 123 O 0.02130598115328 0.41666666666667 0.08085867898233 15.999 > 121 124 O 0.52130598115328 0.41666666666667 0.08085867898233 15.999 > 121 125 O 0.02130598115328 0.75000000000000 0.08085867898233 15.999 > 121 126 O 0.52130598115328 0.75000000000000 0.08085867898233 15.999 > 121 127 O 0.02130598115328 0.08333333333333 0.58085867898233 15.999 > 121 128 O 0.52130598115328 0.08333333333333 0.58085867898233 15.999 > 121 129 O 0.02130598115328 0.41666666666667 0.58085867898233 15.999 > 121 130 O 0.52130598115328 0.41666666666667 0.58085867898233 15.999 > 121 131 O 0.02130598115328 0.75000000000000 0.58085867898233 15.999 > 121 132 O 0.52130598115328 0.75000000000000 0.58085867898233 15.999 > 121 133 O 0.19806221189177 0.25000000000000 0.04794400139578 15.999 > 133 134 O 0.69806221189177 0.25000000000000 0.04794400139578 15.999 > 133 135 O 0.19806221189177 0.58333333333333 0.04794400139578 15.999 > 133 136 O 0.69806221189177 0.58333333333333 0.04794400139578 15.999 > 133 137 O 0.19806221189177 0.91666666666667 0.04794400139578 15.999 > 133 138 O 0.69806221189177 0.91666666666667 0.04794400139578 15.999 > 133 139 O 0.19806221189177 0.25000000000000 0.54794400139578 15.999 > 133 140 O 0.69806221189177 0.25000000000000 0.54794400139578 15.999 > 133 141 O 0.19806221189177 0.58333333333333 0.54794400139578 15.999 > 133 142 O 0.69806221189177 0.58333333333333 0.54794400139578 15.999 > 133 143 O 0.19806221189177 0.91666666666667 0.54794400139578 15.999 > 133 144 O 0.69806221189177 0.91666666666667 0.54794400139578 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4796971 0.0000000 -0.1161599 0.0000000 3.7217887 0.0000000 -0.1161597 0.0000000 3.6750629 -------------------------- Born effective charges -------------------------- 1 Ho 3.6437172 0.0000000 -0.0831426 0.0000000 4.0276755 0.0000000 -0.1269500 0.0000000 3.4712648 2 Ho 3.6437172 0.0000000 -0.0831426 0.0000000 4.0276755 0.0000000 -0.1269500 0.0000000 3.4712648 3 H 0.5476274 0.0000000 -0.1815312 0.0000000 0.3815942 0.0000000 -0.1964272 0.0000000 0.7651325 4 H 0.3395522 0.0000000 0.0628897 0.0000000 0.6109005 0.0000000 0.0827139 0.0000000 0.6576103 5 H 0.3395522 0.0000000 0.0628897 0.0000000 0.6109005 0.0000000 0.0827139 0.0000000 0.6576103 6 H 0.5476274 0.0000000 -0.1815312 0.0000000 0.3815942 0.0000000 -0.1964272 0.0000000 0.7651325 7 Cl -0.8865356 0.0000000 0.1889731 0.0000000 -1.3832262 0.0000000 0.2049321 0.0000000 -1.5635900 8 Cl -0.8865356 0.0000000 0.1889731 0.0000000 -1.3832262 0.0000000 0.2049321 0.0000000 -1.5635900 9 O -1.7882786 0.0000000 -0.2640684 0.0000000 -1.9064780 0.0000000 -0.2251147 0.0000000 -1.6334336 10 O -1.8560826 0.0000000 0.2768794 0.0000000 -1.7304661 0.0000000 0.2608459 0.0000000 -1.6969840 11 O -1.8560826 0.0000000 0.2768794 0.0000000 -1.7304661 0.0000000 0.2608459 0.0000000 -1.6969840 12 O -1.7882786 0.0000000 -0.2640684 0.0000000 -1.9064780 0.0000000 -0.2251147 0.0000000 -1.6334336 ---------------------------------------------------------------------------- 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 109, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:39:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:39:28]------------------------- 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/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.154403560372909 0.000000000000000 0.000000000000000 b 0.000000000000000 3.542391050000001 0.000000000000000 c -1.688675952749753 0.000000000000000 6.247728169961564 Atomic positions (fractional): 1 Ho 0.21951410136585 0.25000000000000 0.89143987624350 164.930 2 Ho 0.78048589863415 0.75000000000000 0.10856012375650 164.930 3 H 0.62681930218801 0.25000000000000 0.75892964024863 1.008 4 H 0.86802995866755 0.75000000000000 0.68791234482193 1.008 5 H 0.13197004133245 0.25000000000000 0.31208765517807 1.008 6 H 0.37318069781199 0.75000000000000 0.24107035975137 1.008 7 Cl 0.27075461451372 0.75000000000000 0.56804831436736 35.453 8 Cl 0.72924538548628 0.25000000000000 0.43195168563264 35.453 9 O 0.60387557621647 0.25000000000000 0.90411199720845 15.999 10 O 0.95738803769344 0.75000000000000 0.83828264203534 15.999 11 O 0.04261196230656 0.25000000000000 0.16171735796466 15.999 12 O 0.39612442378353 0.75000000000000 0.09588800279155 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.308807120745819 0.000000000000000 0.000000000000000 b 0.000000000000000 10.627173150000003 0.000000000000000 c -3.377351905499506 0.000000000000000 12.495456339923129 Atomic positions (fractional): 1 Ho 0.10975705068292 0.08333333333333 0.44571993812175 164.930 > 1 2 Ho 0.60975705068292 0.08333333333333 0.44571993812175 164.930 > 1 3 Ho 0.10975705068292 0.41666666666667 0.44571993812175 164.930 > 1 4 Ho 0.60975705068292 0.41666666666667 0.44571993812175 164.930 > 1 5 Ho 0.10975705068292 0.75000000000000 0.44571993812175 164.930 > 1 6 Ho 0.60975705068292 0.75000000000000 0.44571993812175 164.930 > 1 7 Ho 0.10975705068292 0.08333333333333 0.94571993812175 164.930 > 1 8 Ho 0.60975705068292 0.08333333333333 0.94571993812175 164.930 > 1 9 Ho 0.10975705068292 0.41666666666667 0.94571993812175 164.930 > 1 10 Ho 0.60975705068292 0.41666666666667 0.94571993812175 164.930 > 1 11 Ho 0.10975705068292 0.75000000000000 0.94571993812175 164.930 > 1 12 Ho 0.60975705068292 0.75000000000000 0.94571993812175 164.930 > 1 13 Ho 0.39024294931708 0.25000000000000 0.05428006187825 164.930 > 13 14 Ho 0.89024294931708 0.25000000000000 0.05428006187825 164.930 > 13 15 Ho 0.39024294931708 0.58333333333333 0.05428006187825 164.930 > 13 16 Ho 0.89024294931708 0.58333333333333 0.05428006187825 164.930 > 13 17 Ho 0.39024294931708 0.91666666666667 0.05428006187825 164.930 > 13 18 Ho 0.89024294931708 0.91666666666667 0.05428006187825 164.930 > 13 19 Ho 0.39024294931708 0.25000000000000 0.55428006187825 164.930 > 13 20 Ho 0.89024294931708 0.25000000000000 0.55428006187825 164.930 > 13 21 Ho 0.39024294931708 0.58333333333333 0.55428006187825 164.930 > 13 22 Ho 0.89024294931708 0.58333333333333 0.55428006187825 164.930 > 13 23 Ho 0.39024294931708 0.91666666666667 0.55428006187825 164.930 > 13 24 Ho 0.89024294931708 0.91666666666667 0.55428006187825 164.930 > 13 25 H 0.31340965109400 0.08333333333333 0.37946482012431 1.008 > 25 26 H 0.81340965109400 0.08333333333333 0.37946482012431 1.008 > 25 27 H 0.31340965109400 0.41666666666667 0.37946482012431 1.008 > 25 28 H 0.81340965109400 0.41666666666667 0.37946482012431 1.008 > 25 29 H 0.31340965109400 0.75000000000000 0.37946482012431 1.008 > 25 30 H 0.81340965109400 0.75000000000000 0.37946482012431 1.008 > 25 31 H 0.31340965109400 0.08333333333333 0.87946482012431 1.008 > 25 32 H 0.81340965109400 0.08333333333333 0.87946482012431 1.008 > 25 33 H 0.31340965109400 0.41666666666667 0.87946482012431 1.008 > 25 34 H 0.81340965109400 0.41666666666667 0.87946482012431 1.008 > 25 35 H 0.31340965109400 0.75000000000000 0.87946482012431 1.008 > 25 36 H 0.81340965109400 0.75000000000000 0.87946482012431 1.008 > 25 37 H 0.43401497933377 0.25000000000000 0.34395617241097 1.008 > 37 38 H 0.93401497933377 0.25000000000000 0.34395617241097 1.008 > 37 39 H 0.43401497933377 0.58333333333333 0.34395617241097 1.008 > 37 40 H 0.93401497933377 0.58333333333333 0.34395617241097 1.008 > 37 41 H 0.43401497933377 0.91666666666667 0.34395617241097 1.008 > 37 42 H 0.93401497933377 0.91666666666667 0.34395617241097 1.008 > 37 43 H 0.43401497933377 0.25000000000000 0.84395617241097 1.008 > 37 44 H 0.93401497933377 0.25000000000000 0.84395617241097 1.008 > 37 45 H 0.43401497933377 0.58333333333333 0.84395617241097 1.008 > 37 46 H 0.93401497933377 0.58333333333333 0.84395617241097 1.008 > 37 47 H 0.43401497933377 0.91666666666667 0.84395617241097 1.008 > 37 48 H 0.93401497933377 0.91666666666667 0.84395617241097 1.008 > 37 49 H 0.06598502066623 0.08333333333333 0.15604382758903 1.008 > 49 50 H 0.56598502066623 0.08333333333333 0.15604382758903 1.008 > 49 51 H 0.06598502066623 0.41666666666667 0.15604382758903 1.008 > 49 52 H 0.56598502066623 0.41666666666667 0.15604382758903 1.008 > 49 53 H 0.06598502066623 0.75000000000000 0.15604382758903 1.008 > 49 54 H 0.56598502066623 0.75000000000000 0.15604382758903 1.008 > 49 55 H 0.06598502066623 0.08333333333333 0.65604382758903 1.008 > 49 56 H 0.56598502066623 0.08333333333333 0.65604382758903 1.008 > 49 57 H 0.06598502066623 0.41666666666667 0.65604382758903 1.008 > 49 58 H 0.56598502066623 0.41666666666667 0.65604382758903 1.008 > 49 59 H 0.06598502066623 0.75000000000000 0.65604382758903 1.008 > 49 60 H 0.56598502066623 0.75000000000000 0.65604382758903 1.008 > 49 61 H 0.18659034890600 0.25000000000000 0.12053517987569 1.008 > 61 62 H 0.68659034890600 0.25000000000000 0.12053517987569 1.008 > 61 63 H 0.18659034890600 0.58333333333333 0.12053517987569 1.008 > 61 64 H 0.68659034890600 0.58333333333333 0.12053517987569 1.008 > 61 65 H 0.18659034890600 0.91666666666667 0.12053517987569 1.008 > 61 66 H 0.68659034890600 0.91666666666667 0.12053517987569 1.008 > 61 67 H 0.18659034890600 0.25000000000000 0.62053517987569 1.008 > 61 68 H 0.68659034890600 0.25000000000000 0.62053517987569 1.008 > 61 69 H 0.18659034890600 0.58333333333333 0.62053517987569 1.008 > 61 70 H 0.68659034890600 0.58333333333333 0.62053517987569 1.008 > 61 71 H 0.18659034890600 0.91666666666667 0.62053517987569 1.008 > 61 72 H 0.68659034890600 0.91666666666667 0.62053517987569 1.008 > 61 73 Cl 0.13537730725686 0.25000000000000 0.28402415718368 35.453 > 73 74 Cl 0.63537730725686 0.25000000000000 0.28402415718368 35.453 > 73 75 Cl 0.13537730725686 0.58333333333333 0.28402415718368 35.453 > 73 76 Cl 0.63537730725686 0.58333333333333 0.28402415718368 35.453 > 73 77 Cl 0.13537730725686 0.91666666666667 0.28402415718368 35.453 > 73 78 Cl 0.63537730725686 0.91666666666667 0.28402415718368 35.453 > 73 79 Cl 0.13537730725686 0.25000000000000 0.78402415718368 35.453 > 73 80 Cl 0.63537730725686 0.25000000000000 0.78402415718368 35.453 > 73 81 Cl 0.13537730725686 0.58333333333333 0.78402415718368 35.453 > 73 82 Cl 0.63537730725686 0.58333333333333 0.78402415718368 35.453 > 73 83 Cl 0.13537730725686 0.91666666666667 0.78402415718368 35.453 > 73 84 Cl 0.63537730725686 0.91666666666667 0.78402415718368 35.453 > 73 85 Cl 0.36462269274314 0.08333333333333 0.21597584281632 35.453 > 85 86 Cl 0.86462269274314 0.08333333333333 0.21597584281632 35.453 > 85 87 Cl 0.36462269274314 0.41666666666667 0.21597584281632 35.453 > 85 88 Cl 0.86462269274314 0.41666666666667 0.21597584281632 35.453 > 85 89 Cl 0.36462269274314 0.75000000000000 0.21597584281632 35.453 > 85 90 Cl 0.86462269274314 0.75000000000000 0.21597584281632 35.453 > 85 91 Cl 0.36462269274314 0.08333333333333 0.71597584281632 35.453 > 85 92 Cl 0.86462269274314 0.08333333333333 0.71597584281632 35.453 > 85 93 Cl 0.36462269274314 0.41666666666667 0.71597584281632 35.453 > 85 94 Cl 0.86462269274314 0.41666666666667 0.71597584281632 35.453 > 85 95 Cl 0.36462269274314 0.75000000000000 0.71597584281632 35.453 > 85 96 Cl 0.86462269274314 0.75000000000000 0.71597584281632 35.453 > 85 97 O 0.30193778810823 0.08333333333333 0.45205599860423 15.999 > 97 98 O 0.80193778810823 0.08333333333333 0.45205599860423 15.999 > 97 99 O 0.30193778810823 0.41666666666667 0.45205599860423 15.999 > 97 100 O 0.80193778810823 0.41666666666667 0.45205599860423 15.999 > 97 101 O 0.30193778810823 0.75000000000000 0.45205599860423 15.999 > 97 102 O 0.80193778810823 0.75000000000000 0.45205599860423 15.999 > 97 103 O 0.30193778810823 0.08333333333333 0.95205599860422 15.999 > 97 104 O 0.80193778810823 0.08333333333333 0.95205599860422 15.999 > 97 105 O 0.30193778810823 0.41666666666667 0.95205599860422 15.999 > 97 106 O 0.80193778810823 0.41666666666667 0.95205599860422 15.999 > 97 107 O 0.30193778810823 0.75000000000000 0.95205599860422 15.999 > 97 108 O 0.80193778810823 0.75000000000000 0.95205599860422 15.999 > 97 109 O 0.47869401884672 0.25000000000000 0.41914132101767 15.999 > 109 110 O 0.97869401884672 0.25000000000000 0.41914132101767 15.999 > 109 111 O 0.47869401884672 0.58333333333333 0.41914132101767 15.999 > 109 112 O 0.97869401884672 0.58333333333333 0.41914132101767 15.999 > 109 113 O 0.47869401884672 0.91666666666667 0.41914132101767 15.999 > 109 114 O 0.97869401884672 0.91666666666667 0.41914132101767 15.999 > 109 115 O 0.47869401884672 0.25000000000000 0.91914132101767 15.999 > 109 116 O 0.97869401884672 0.25000000000000 0.91914132101767 15.999 > 109 117 O 0.47869401884672 0.58333333333333 0.91914132101767 15.999 > 109 118 O 0.97869401884672 0.58333333333333 0.91914132101767 15.999 > 109 119 O 0.47869401884672 0.91666666666667 0.91914132101767 15.999 > 109 120 O 0.97869401884672 0.91666666666667 0.91914132101767 15.999 > 109 121 O 0.02130598115328 0.08333333333333 0.08085867898233 15.999 > 121 122 O 0.52130598115328 0.08333333333333 0.08085867898233 15.999 > 121 123 O 0.02130598115328 0.41666666666667 0.08085867898233 15.999 > 121 124 O 0.52130598115328 0.41666666666667 0.08085867898233 15.999 > 121 125 O 0.02130598115328 0.75000000000000 0.08085867898233 15.999 > 121 126 O 0.52130598115328 0.75000000000000 0.08085867898233 15.999 > 121 127 O 0.02130598115328 0.08333333333333 0.58085867898233 15.999 > 121 128 O 0.52130598115328 0.08333333333333 0.58085867898233 15.999 > 121 129 O 0.02130598115328 0.41666666666667 0.58085867898233 15.999 > 121 130 O 0.52130598115328 0.41666666666667 0.58085867898233 15.999 > 121 131 O 0.02130598115328 0.75000000000000 0.58085867898233 15.999 > 121 132 O 0.52130598115328 0.75000000000000 0.58085867898233 15.999 > 121 133 O 0.19806221189177 0.25000000000000 0.04794400139578 15.999 > 133 134 O 0.69806221189177 0.25000000000000 0.04794400139578 15.999 > 133 135 O 0.19806221189177 0.58333333333333 0.04794400139578 15.999 > 133 136 O 0.69806221189177 0.58333333333333 0.04794400139578 15.999 > 133 137 O 0.19806221189177 0.91666666666667 0.04794400139578 15.999 > 133 138 O 0.69806221189177 0.91666666666667 0.04794400139578 15.999 > 133 139 O 0.19806221189177 0.25000000000000 0.54794400139578 15.999 > 133 140 O 0.69806221189177 0.25000000000000 0.54794400139578 15.999 > 133 141 O 0.19806221189177 0.58333333333333 0.54794400139578 15.999 > 133 142 O 0.69806221189177 0.58333333333333 0.54794400139578 15.999 > 133 143 O 0.19806221189177 0.91666666666667 0.54794400139578 15.999 > 133 144 O 0.69806221189177 0.91666666666667 0.54794400139578 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4796971 0.0000000 -0.1161599 0.0000000 3.7217887 0.0000000 -0.1161597 0.0000000 3.6750629 -------------------------- Born effective charges -------------------------- 1 Ho 3.6437172 0.0000000 -0.0831426 0.0000000 4.0276755 0.0000000 -0.1269500 0.0000000 3.4712648 2 Ho 3.6437172 0.0000000 -0.0831426 0.0000000 4.0276755 0.0000000 -0.1269500 0.0000000 3.4712648 3 H 0.5476274 0.0000000 -0.1815312 0.0000000 0.3815942 0.0000000 -0.1964272 0.0000000 0.7651325 4 H 0.3395522 0.0000000 0.0628897 0.0000000 0.6109005 0.0000000 0.0827139 0.0000000 0.6576103 5 H 0.3395522 0.0000000 0.0628897 0.0000000 0.6109005 0.0000000 0.0827139 0.0000000 0.6576103 6 H 0.5476274 0.0000000 -0.1815312 0.0000000 0.3815942 0.0000000 -0.1964272 0.0000000 0.7651325 7 Cl -0.8865356 0.0000000 0.1889731 0.0000000 -1.3832262 0.0000000 0.2049321 0.0000000 -1.5635900 8 Cl -0.8865356 0.0000000 0.1889731 0.0000000 -1.3832262 0.0000000 0.2049321 0.0000000 -1.5635900 9 O -1.7882786 0.0000000 -0.2640684 0.0000000 -1.9064780 0.0000000 -0.2251147 0.0000000 -1.6334336 10 O -1.8560826 0.0000000 0.2768794 0.0000000 -1.7304661 0.0000000 0.2608459 0.0000000 -1.6969840 11 O -1.8560826 0.0000000 0.2768794 0.0000000 -1.7304661 0.0000000 0.2608459 0.0000000 -1.6969840 12 O -1.7882786 0.0000000 -0.2640684 0.0000000 -1.9064780 0.0000000 -0.2251147 0.0000000 -1.6334336 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) 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 ... [ 8 14 8 ] 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: 0.81, Number of G-points: 295, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/272) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 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 3.110 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 8.121 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 10.666 ( 0.000 0.000 0.000) 0.000 10.678 ( 0.000 0.000 0.000) 0.000 11.411 ( 0.000 0.000 0.000) 0.000 11.836 ( 0.000 0.000 0.000) 0.000 12.543 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 14.011 ( 0.000 0.000 0.000) 0.000 16.329 ( 0.000 0.000 0.000) 0.000 17.427 ( 0.000 0.000 0.000) 0.000 21.661 ( 0.000 0.000 0.000) 0.000 21.689 ( 0.000 0.000 0.000) 0.000 21.770 ( 0.000 0.000 0.000) 0.000 21.987 ( 0.000 0.000 0.000) 0.000 24.166 ( 0.000 0.000 0.000) 0.000 24.715 ( 0.000 0.000 0.000) 0.000 105.151 ( 0.000 0.000 0.000) 0.000 105.190 ( 0.000 0.000 0.000) 0.000 106.166 ( 0.000 0.000 0.000) 0.000 106.174 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/272) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 14.367 0.000 18.217) 23.200 0.638 ( 29.680 0.000 4.607) 30.035 0.924 ( 42.844 0.000 -0.344) 42.845 3.056 ( -5.338 0.000 0.177) 5.341 3.074 ( -4.025 0.000 -3.230) 5.161 3.640 ( 2.733 0.000 -2.228) 3.526 3.972 ( -8.519 0.000 16.348) 18.434 4.077 ( -1.892 0.000 1.354) 2.326 4.394 ( 1.698 0.000 5.493) 5.750 4.816 ( -5.750 0.000 -0.429) 5.766 5.447 ( -0.046 0.000 0.238) 0.242 5.939 ( 0.897 0.000 -2.336) 2.502 8.121 ( 0.164 0.000 -0.492) 0.519 9.286 ( -8.013 0.000 0.785) 8.051 9.348 ( -4.835 0.000 -1.619) 5.099 9.710 ( 3.881 0.000 -0.191) 3.886 9.906 ( 12.852 0.000 -4.440) 13.597 10.702 ( 2.177 0.000 0.159) 2.183 11.189 ( -18.201 0.000 4.220) 18.684 11.506 ( 8.127 0.000 -31.010) 32.058 12.370 ( 2.694 0.000 21.591) 21.758 12.540 ( 0.244 0.000 -1.480) 1.500 13.232 ( 4.109 0.000 -1.325) 4.317 14.000 ( -1.094 0.000 -1.139) 1.579 16.358 ( 2.346 0.000 1.657) 2.872 17.386 ( -3.347 0.000 -2.165) 3.986 21.676 ( 1.352 0.000 0.207) 1.368 21.771 ( 7.683 0.000 0.270) 7.688 21.983 ( -0.685 0.000 1.019) 1.228 23.730 ( 8.424 0.000 -40.070) 40.946 24.162 ( -2.945 0.000 6.535) 7.168 24.671 ( -4.348 0.000 0.834) 4.427 105.191 ( -0.004 0.000 0.233) 0.233 105.209 ( 3.899 0.000 -14.568) 15.080 106.167 ( -1.194 0.000 2.304) 2.595 106.251 ( -4.768 0.000 18.016) 18.636 ======================= Grid point 2 (3/272) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 14.310 0.000 16.849) 22.106 1.246 ( 27.627 0.000 4.080) 27.927 1.649 ( 26.627 0.000 -4.743) 27.046 2.897 ( -10.313 0.000 -0.340) 10.319 3.009 ( 2.780 0.000 -3.630) 4.572 3.698 ( 4.444 0.000 -3.541) 5.683 3.893 ( -4.451 0.000 4.364) 6.234 4.032 ( -3.503 0.000 2.537) 4.326 4.440 ( -1.505 0.000 7.235) 7.390 4.645 ( -10.010 0.000 -1.569) 10.132 5.447 ( -1.535 0.000 5.516) 5.726 5.943 ( 1.026 0.000 -3.485) 3.632 8.123 ( 0.355 0.000 -0.793) 0.869 9.116 ( -8.424 0.000 1.058) 8.490 9.250 ( -3.723 0.000 -1.106) 3.884 9.778 ( 2.689 0.000 -0.119) 2.692 10.169 ( 12.832 0.000 -0.646) 12.848 10.757 ( 2.839 0.000 0.228) 2.848 10.850 ( -14.727 0.000 3.457) 15.127 11.476 ( -0.261 0.000 -10.224) 10.228 12.496 ( 1.788 0.000 5.531) 5.813 12.545 ( 1.435 0.000 -2.120) 2.560 13.348 ( 8.276 0.000 -3.316) 8.915 13.952 ( -4.082 0.000 2.306) 4.688 16.438 ( 4.168 0.000 2.916) 5.086 17.276 ( -5.571 0.000 -3.625) 6.646 21.714 ( 2.136 0.000 0.160) 2.142 21.971 ( -1.209 0.000 1.562) 1.976 21.982 ( 12.010 0.000 0.870) 12.041 23.656 ( 0.200 0.000 -18.327) 18.328 24.137 ( -1.268 0.000 0.823) 1.511 24.560 ( -6.770 0.000 1.442) 6.922 105.192 ( -0.034 0.000 0.499) 0.500 105.208 ( 1.722 0.000 -6.617) 6.837 106.153 ( -1.503 0.000 2.688) 3.080 106.253 ( -1.381 0.000 5.477) 5.648 ======================= Grid point 3 (4/272) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 13.010 0.000 14.191) 19.252 1.796 ( 24.330 0.000 3.294) 24.551 1.856 ( -0.471 0.000 -9.641) 9.653 2.633 ( -15.237 0.000 -1.294) 15.292 3.247 ( 20.128 0.000 -1.580) 20.190 3.775 ( 4.952 0.000 -3.839) 6.266 3.846 ( -1.176 0.000 -0.312) 1.216 3.966 ( -4.394 0.000 3.237) 5.458 4.301 ( -16.706 0.000 6.698) 17.998 4.509 ( -1.132 0.000 -1.024) 1.526 5.446 ( -1.291 0.000 4.550) 4.730 5.942 ( 0.567 0.000 -2.651) 2.711 8.127 ( 0.371 0.000 -0.649) 0.748 8.978 ( -5.262 0.000 0.806) 5.323 9.188 ( -1.930 0.000 -0.593) 2.019 9.817 ( 1.229 0.000 -0.051) 1.230 10.314 ( 0.020 0.000 -0.215) 0.216 10.745 ( 3.895 0.000 2.695) 4.736 10.808 ( 1.860 0.000 0.163) 1.867 11.378 ( -5.385 0.000 -3.262) 6.296 12.524 ( -0.297 0.000 2.294) 2.313 12.569 ( 1.752 0.000 -2.516) 3.066 13.507 ( 8.892 0.000 -4.761) 10.086 13.861 ( -6.245 0.000 3.931) 7.379 16.546 ( 4.304 0.000 2.976) 5.232 17.139 ( -5.287 0.000 -3.471) 6.324 21.757 ( 1.826 0.000 -0.055) 1.827 21.953 ( -1.180 0.000 1.265) 1.730 22.225 ( 9.962 0.000 1.261) 10.041 23.550 ( -2.550 0.000 -9.192) 9.539 24.126 ( 0.065 0.000 -0.365) 0.371 24.435 ( -5.541 0.000 1.297) 5.691 105.194 ( -0.066 0.000 0.574) 0.578 105.206 ( 0.798 0.000 -3.180) 3.279 106.139 ( -0.981 0.000 1.637) 1.909 106.254 ( -0.391 0.000 1.635) 1.681 ======================= Grid point 4 (5/272) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 2.264 ( -0.000 0.000 -0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.833 ( -0.000 0.000 0.000) 0.000 3.840 ( 0.000 0.000 -0.000) 0.000 3.912 ( 0.000 0.000 -0.000) 0.000 4.050 ( -0.000 0.000 0.000) 0.000 4.500 ( 0.000 0.000 -0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.925 ( 0.000 0.000 -0.000) 0.000 9.166 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.828 ( 0.000 0.000 0.000) 0.000 10.849 ( 0.000 0.000 0.000) 0.000 11.285 ( 0.000 0.000 -0.000) 0.000 12.525 ( 0.000 0.000 0.000) 0.000 12.581 ( 0.000 0.000 0.000) 0.000 13.610 ( 0.000 0.000 0.000) 0.000 13.782 ( 0.000 0.000 -0.000) 0.000 16.609 ( 0.000 0.000 0.000) 0.000 17.065 ( 0.000 0.000 0.000) 0.000 21.777 ( 0.000 0.000 0.000) 0.000 21.943 ( 0.000 0.000 0.000) 0.000 22.341 ( 0.000 0.000 0.000) 0.000 23.490 ( 0.000 0.000 0.000) 0.000 24.128 ( 0.000 0.000 0.000) 0.000 24.377 ( 0.000 0.000 0.000) 0.000 105.195 ( 0.000 0.000 0.000) 0.000 105.205 ( 0.000 0.000 -0.000) 0.000 106.133 ( 0.000 0.000 0.000) 0.000 106.255 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/272) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 0.000 18.640 0.000) 18.640 0.622 ( 0.000 30.543 0.000) 30.543 1.051 ( 0.000 51.424 0.000) 51.424 3.109 ( 0.000 -2.247 0.000) 2.247 3.224 ( 0.000 5.933 0.000) 5.933 3.303 ( 0.000 7.963 0.000) 7.963 4.194 ( 0.000 9.725 0.000) 9.725 4.325 ( 0.000 -2.315 0.000) 2.315 4.668 ( 0.000 1.288 0.000) 1.288 4.897 ( 0.000 2.382 0.000) 2.382 5.427 ( 0.000 -1.722 0.000) 1.722 5.897 ( 0.000 -3.793 0.000) 3.793 8.773 ( 0.000 0.761 0.000) 0.761 8.976 ( 0.000 -2.341 0.000) 2.341 9.459 ( 0.000 3.618 0.000) 3.618 9.569 ( 0.000 -8.444 0.000) 8.444 10.361 ( 0.000 0.583 0.000) 0.583 10.424 ( 0.000 -12.185 0.000) 12.185 10.896 ( 0.000 10.515 0.000) 10.515 11.430 ( 0.000 1.791 0.000) 1.791 11.911 ( 0.000 6.574 0.000) 6.574 12.510 ( 0.000 -3.171 0.000) 3.171 13.191 ( 0.000 -0.482 0.000) 0.482 13.974 ( 0.000 -3.566 0.000) 3.566 17.470 ( 0.000 4.200 0.000) 4.200 20.044 ( 0.000 -2.253 0.000) 2.253 21.421 ( 0.000 -19.428 0.000) 19.428 21.489 ( 0.000 -11.385 0.000) 11.385 22.126 ( 0.000 14.949 0.000) 14.949 22.383 ( 0.000 23.919 0.000) 23.919 24.202 ( 0.000 3.592 0.000) 3.592 24.702 ( 0.000 -1.127 0.000) 1.127 105.153 ( 0.000 0.173 0.000) 0.173 105.189 ( 0.000 -0.040 0.000) 0.040 106.148 ( 0.000 -1.778 0.000) 1.778 106.154 ( 0.000 -1.881 0.000) 1.881 ======================= Grid point 10 (7/272) ======================= q-point: ( 0.12 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 9.499 13.736 6.649) 17.975 0.813 ( 20.647 17.785 0.887) 27.266 1.434 ( 27.571 38.252 2.830) 47.237 3.036 ( -3.946 -2.091 -3.922) 5.944 3.222 ( -4.382 14.406 0.214) 15.059 3.408 ( 7.896 -6.215 5.840) 11.623 4.159 ( -4.219 9.271 1.550) 10.303 4.277 ( -5.615 3.428 0.865) 6.635 4.518 ( -7.785 10.675 4.035) 13.814 4.815 ( -5.837 0.816 -1.866) 6.182 5.430 ( 0.359 -1.598 -1.431) 2.174 5.898 ( 0.663 -3.768 -1.260) 4.028 8.362 ( -15.024 12.461 -2.545) 19.684 9.154 ( -2.230 -9.033 1.116) 9.371 9.396 ( -4.833 3.871 -0.071) 6.192 9.588 ( 4.760 -8.200 -0.497) 9.494 9.992 ( -0.153 1.859 -0.765) 2.016 10.752 ( 2.169 3.520 -0.380) 4.152 11.200 ( -9.151 -1.472 3.430) 9.883 11.322 ( 16.022 -7.816 -9.894) 20.389 12.114 ( 13.279 -4.366 6.902) 15.590 12.522 ( 1.803 -1.564 -1.957) 3.086 13.214 ( 2.784 -0.982 -0.683) 3.030 13.960 ( -1.853 -3.610 1.602) 4.363 17.398 ( -8.048 7.313 -6.435) 12.636 18.054 ( -72.192 83.123 -8.095) 110.393 21.314 ( 3.122 -18.841 -0.430) 19.103 21.791 ( 1.232 -16.190 0.135) 16.237 22.142 ( 4.637 17.855 -0.481) 18.453 23.365 ( 34.240 -16.731 -10.191) 39.448 24.194 ( -0.295 3.985 -1.301) 4.203 24.667 ( -3.432 -0.196 0.852) 3.541 105.182 ( 3.160 -1.175 -7.240) 7.986 105.191 ( 0.071 -0.108 0.623) 0.636 106.147 ( -1.469 -2.008 3.490) 4.286 106.191 ( 0.321 -3.709 6.601) 7.579 ======================= Grid point 11 (8/272) ======================= q-point: ( 0.25 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 13.825 4.570 10.855) 18.162 1.306 ( 24.567 7.017 1.335) 25.584 1.959 ( 19.305 25.501 -1.881) 32.039 2.966 ( -0.437 3.029 -2.610) 4.022 3.098 ( -4.921 12.270 -0.240) 13.222 3.581 ( 6.447 -5.889 2.816) 9.174 4.048 ( -5.674 9.561 0.551) 11.132 4.175 ( -4.396 10.843 1.156) 11.757 4.455 ( -3.750 2.285 5.453) 7.001 4.648 ( -8.979 0.749 -2.493) 9.349 5.426 ( -1.243 -1.826 3.506) 4.144 5.907 ( 1.282 -3.351 -2.990) 4.670 8.179 ( -4.121 4.471 -1.629) 6.294 9.012 ( -8.349 -8.850 1.076) 12.214 9.321 ( -3.028 6.075 -0.117) 6.788 9.674 ( 2.739 -8.739 -0.294) 9.162 10.146 ( 11.717 -3.115 0.150) 12.125 10.715 ( -6.994 -0.466 0.985) 7.079 10.957 ( -7.817 6.457 2.662) 10.482 11.510 ( 4.977 2.324 -6.729) 8.686 12.361 ( 6.869 -9.574 3.258) 12.226 12.565 ( 3.711 2.453 -2.620) 5.163 13.304 ( 6.887 -3.296 -2.742) 8.112 13.912 ( -4.275 -3.641 3.119) 6.423 16.979 ( -16.927 33.028 -6.455) 37.670 17.472 ( -7.833 26.706 2.036) 27.905 21.404 ( 5.633 -19.610 -1.496) 20.458 21.785 ( -1.621 -15.584 2.061) 15.803 22.270 ( 7.241 16.155 0.941) 17.729 23.640 ( 5.539 -1.461 -10.231) 11.726 24.183 ( 0.350 5.230 -2.491) 5.804 24.583 ( -5.087 2.559 1.368) 5.856 105.190 ( 0.429 -0.240 -1.114) 1.218 105.200 ( 1.281 -0.461 -3.461) 3.719 106.133 ( -1.483 -1.930 2.756) 3.677 106.218 ( -0.226 -3.086 3.499) 4.671 ======================= Grid point 12 (9/272) ======================= q-point: ( 0.38 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 12.276 0.258 10.228) 15.980 1.726 ( 12.791 0.717 -2.351) 13.025 2.152 ( 7.518 18.913 -3.301) 20.618 2.788 ( -14.299 14.377 -0.421) 20.281 3.297 ( 19.864 5.428 -0.652) 20.603 3.704 ( 5.120 -3.504 0.051) 6.205 3.971 ( -1.931 8.770 -0.830) 9.019 4.088 ( -5.636 9.622 1.285) 11.225 4.313 ( -13.528 1.963 5.574) 14.762 4.510 ( -2.069 0.785 -1.817) 2.863 5.421 ( -1.118 -2.114 3.512) 4.249 5.914 ( 0.794 -2.691 -2.395) 3.689 8.125 ( -1.069 -0.029 -1.039) 1.491 8.882 ( -4.675 -8.461 0.871) 9.706 9.270 ( -1.849 7.264 -0.130) 7.497 9.702 ( 0.494 -9.700 -0.138) 9.714 10.338 ( 3.464 0.675 -0.204) 3.535 10.591 ( -0.290 -8.546 0.790) 8.587 10.899 ( -1.853 4.148 2.286) 5.085 11.513 ( -0.894 11.252 -2.608) 11.585 12.447 ( 1.470 -7.193 1.150) 7.431 12.630 ( 3.302 6.079 -1.943) 7.186 13.443 ( 7.902 -5.837 -4.314) 10.729 13.824 ( -5.924 -3.392 3.925) 7.875 16.763 ( -4.423 16.933 -1.719) 17.585 17.370 ( -3.612 23.753 0.353) 24.029 21.506 ( 4.764 -18.416 -1.583) 19.088 21.757 ( -2.098 -16.863 2.050) 17.117 22.419 ( 5.895 12.243 1.406) 13.661 23.623 ( -0.855 4.939 -6.204) 7.976 24.182 ( 0.669 5.948 -1.797) 6.250 24.494 ( -3.931 6.238 1.164) 7.465 105.192 ( 0.140 -0.180 -0.226) 0.321 105.204 ( 0.616 -0.135 -1.944) 2.043 106.120 ( -0.940 -1.871 1.568) 2.616 106.227 ( -0.086 -2.610 1.187) 2.868 ======================= Grid point 13 (10/272) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.000 -2.686 0.000) 2.686 1.772 ( 0.000 2.860 0.000) 2.860 2.388 ( 0.000 10.888 0.000) 10.888 2.497 ( 0.000 19.740 0.000) 19.740 3.588 ( 0.000 3.422 0.000) 3.422 3.814 ( 0.000 0.692 -0.000) 0.692 3.916 ( -0.000 0.919 0.000) 0.919 3.960 ( -0.000 8.406 0.000) 8.406 4.162 ( 0.000 10.016 0.000) 10.016 4.490 ( 0.000 -0.205 -0.000) 0.205 5.419 ( 0.000 -2.188 -0.000) 2.188 5.915 ( 0.000 -2.404 0.000) 2.404 8.113 ( 0.000 -1.315 0.000) 1.315 8.837 ( 0.000 -8.024 0.000) 8.024 9.250 ( 0.000 7.654 0.000) 7.654 9.704 ( 0.000 -10.380 0.000) 10.380 10.333 ( 0.000 3.434 0.000) 3.434 10.648 ( 0.000 -13.353 0.000) 13.353 10.878 ( 0.000 2.172 0.000) 2.172 11.489 ( 0.000 15.410 0.000) 15.410 12.462 ( 0.000 -6.075 0.000) 6.075 12.660 ( 0.000 7.497 0.000) 7.497 13.530 ( 0.000 -7.430 0.000) 7.430 13.756 ( 0.000 -2.577 -0.000) 2.577 16.720 ( 0.000 10.488 0.000) 10.488 17.332 ( 0.000 24.994 0.000) 24.994 21.556 ( 0.000 -17.006 -0.000) 17.006 21.737 ( 0.000 -18.051 0.000) 18.051 22.489 ( 0.000 9.759 0.000) 9.759 23.590 ( 0.000 6.987 0.000) 6.987 24.185 ( 0.000 5.791 0.000) 5.791 24.454 ( 0.000 8.214 0.000) 8.214 105.193 ( 0.000 -0.178 0.000) 0.178 105.205 ( 0.000 -0.025 -0.000) 0.025 106.114 ( 0.000 -1.849 0.000) 1.849 106.229 ( 0.000 -2.479 0.000) 2.479 ======================= Grid point 18 (11/272) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 20.027 0.000) 20.027 1.226 ( 0.000 29.214 0.000) 29.214 2.054 ( 0.000 47.244 0.000) 47.244 3.046 ( 0.000 -3.497 0.000) 3.497 3.255 ( 0.000 0.659 0.000) 0.659 3.651 ( 0.000 21.978 0.000) 21.978 4.266 ( 0.000 -3.352 0.000) 3.352 4.458 ( 0.000 15.703 0.000) 15.703 4.671 ( 0.000 -1.392 0.000) 1.392 4.985 ( 0.000 6.275 0.000) 6.275 5.378 ( 0.000 -3.102 0.000) 3.102 5.789 ( 0.000 -6.659 0.000) 6.659 8.793 ( 0.000 0.885 0.000) 0.885 8.901 ( 0.000 -5.155 0.000) 5.155 9.337 ( 0.000 -13.476 0.000) 13.476 9.562 ( 0.000 6.489 0.000) 6.489 10.210 ( 0.000 -8.556 0.000) 8.556 10.374 ( 0.000 0.432 0.000) 0.432 11.098 ( 0.000 9.450 0.000) 9.450 11.480 ( 0.000 3.072 0.000) 3.072 12.060 ( 0.000 7.312 0.000) 7.312 12.425 ( 0.000 -4.807 0.000) 4.807 13.175 ( 0.000 -1.119 0.000) 1.119 13.877 ( 0.000 -5.759 0.000) 5.759 17.588 ( 0.000 7.210 0.000) 7.210 19.961 ( 0.000 -6.278 0.000) 6.278 21.076 ( 0.000 -14.514 0.000) 14.514 21.311 ( 0.000 -5.845 0.000) 5.845 22.410 ( 0.000 12.576 0.000) 12.576 22.846 ( 0.000 21.099 0.000) 21.099 24.314 ( 0.000 7.568 0.000) 7.568 24.682 ( 0.000 -0.401 0.000) 0.401 105.158 ( 0.000 0.326 0.000) 0.326 105.189 ( 0.000 -0.041 0.000) 0.041 106.097 ( 0.000 -3.177 0.000) 3.177 106.101 ( 0.000 -3.306 0.000) 3.306 ======================= Grid point 19 (12/272) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 6.547 18.439 1.570) 19.630 1.272 ( 7.521 25.617 -1.620) 26.747 2.249 ( 15.134 39.731 1.355) 42.538 2.998 ( -1.773 -0.871 -2.682) 3.331 3.342 ( 5.582 -1.173 5.066) 7.629 3.599 ( -5.052 21.410 -0.075) 21.998 4.251 ( -2.378 -1.468 2.341) 3.646 4.434 ( -2.555 14.322 1.556) 14.632 4.631 ( -3.724 1.169 0.508) 3.936 4.893 ( -7.358 6.897 -1.311) 10.170 5.386 ( 1.002 -2.656 -2.561) 3.823 5.795 ( 1.022 -6.192 -1.028) 6.359 8.518 ( -14.326 3.817 -3.133) 15.154 8.988 ( -4.646 -6.900 0.908) 8.368 9.332 ( 3.055 -11.987 0.360) 12.376 9.552 ( -1.045 6.359 0.643) 6.476 9.964 ( -4.101 -3.331 0.638) 5.321 10.795 ( 13.494 0.323 -0.742) 13.518 11.147 ( 6.137 0.445 1.398) 6.310 11.330 ( -8.593 3.347 -0.446) 9.233 12.127 ( 4.222 1.893 1.263) 4.796 12.497 ( 7.229 -0.005 -2.578) 7.675 13.188 ( 1.453 -1.750 -0.550) 2.340 13.864 ( -1.798 -5.652 1.621) 6.148 17.539 ( -4.008 7.942 -4.429) 9.938 19.168 ( -53.654 32.348 -3.555) 62.752 20.980 ( -0.692 -13.830 1.054) 13.887 21.430 ( 3.132 -16.518 -3.572) 17.187 22.449 ( 3.288 12.033 0.865) 12.504 23.272 ( 25.697 3.865 0.748) 25.997 24.323 ( 1.951 8.702 -3.556) 9.601 24.677 ( -0.534 1.608 0.892) 1.915 105.170 ( 1.673 -0.159 -3.084) 3.512 105.190 ( -0.064 -0.013 0.880) 0.882 106.091 ( -1.570 -3.400 4.011) 5.487 106.119 ( 1.455 -3.719 -0.583) 4.036 ======================= Grid point 20 (13/272) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 9.073 14.810 2.315) 17.522 1.532 ( 16.598 14.879 -0.962) 22.312 2.478 ( 4.063 20.716 -2.819) 21.298 3.079 ( 12.770 11.988 0.718) 17.530 3.426 ( -7.792 13.756 1.176) 15.853 3.516 ( 4.498 3.231 3.899) 6.773 4.193 ( -4.093 3.074 1.913) 5.465 4.378 ( -4.615 9.851 3.174) 11.332 4.541 ( -5.124 5.515 0.646) 7.555 4.721 ( -7.235 7.746 -3.626) 11.202 5.383 ( -0.630 -2.247 0.746) 2.450 5.818 ( 1.988 -5.235 -2.482) 6.125 8.265 ( -8.710 3.558 -2.481) 9.730 8.819 ( -8.688 -9.001 0.602) 12.524 9.403 ( 1.619 -5.745 0.840) 6.028 9.535 ( -0.892 2.784 0.424) 2.954 10.041 ( 8.967 -6.763 0.259) 11.234 10.762 ( -11.081 4.604 0.483) 12.009 11.055 ( -7.567 2.995 2.414) 8.489 11.532 ( 16.026 -0.512 -2.302) 16.199 12.206 ( 2.994 -5.753 0.826) 6.538 12.653 ( 8.575 6.219 -2.396) 10.861 13.229 ( 3.398 -4.199 -2.161) 5.818 13.818 ( -3.991 -5.295 2.883) 7.231 17.353 ( -10.476 12.270 -8.787) 18.372 18.324 ( -26.640 44.441 4.015) 51.969 21.029 ( 4.741 -17.030 -1.926) 17.783 21.421 ( -2.153 -18.646 0.565) 18.778 22.533 ( 3.871 9.416 1.593) 10.305 23.609 ( 8.288 -1.450 -1.640) 8.572 24.349 ( 2.664 10.606 -5.426) 12.208 24.681 ( 0.511 7.601 1.118) 7.700 105.183 ( 1.179 -0.345 -2.887) 3.137 105.196 ( 0.227 -0.011 0.571) 0.615 106.079 ( -1.356 -3.351 2.595) 4.450 106.143 ( 0.787 -4.157 0.669) 4.283 ======================= Grid point 21 (14/272) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 9.240 8.556 3.240) 13.003 1.817 ( 9.184 7.712 -2.176) 12.189 2.496 ( 4.537 13.428 -2.960) 14.480 3.143 ( -13.659 18.420 1.013) 22.954 3.492 ( 18.567 14.208 1.065) 23.404 3.654 ( 5.943 -1.272 2.631) 6.623 4.123 ( -3.015 4.426 -0.637) 5.393 4.239 ( -11.566 5.283 3.522) 13.194 4.447 ( -3.846 11.352 0.913) 12.020 4.596 ( -2.895 9.046 -2.830) 9.910 5.376 ( -0.692 -2.083 1.729) 2.794 5.841 ( 1.332 -4.323 -1.982) 4.939 8.132 ( -3.647 0.836 -1.413) 3.999 8.690 ( -4.234 -9.306 0.515) 10.237 9.422 ( 0.700 0.616 0.532) 1.073 9.509 ( -1.997 -2.119 0.221) 2.920 10.245 ( 9.434 -9.812 -0.429) 13.618 10.524 ( -10.031 1.788 0.261) 10.192 10.957 ( -4.122 1.806 2.243) 5.028 11.752 ( 6.539 11.000 -1.107) 12.845 12.264 ( 2.422 -10.205 0.075) 10.489 12.791 ( 5.313 8.665 -0.969) 10.210 13.298 ( 4.562 -7.706 -3.425) 9.588 13.739 ( -5.002 -4.689 3.127) 7.535 17.100 ( -8.261 16.204 -5.757) 19.078 18.036 ( -7.560 38.379 4.042) 39.325 21.128 ( 5.922 -18.210 -2.991) 19.381 21.366 ( -3.903 -20.265 2.441) 20.781 22.607 ( 2.271 5.860 1.387) 6.436 23.673 ( 0.750 -0.397 -1.463) 1.691 24.362 ( 1.171 11.382 -3.678) 12.019 24.704 ( 1.010 14.427 0.589) 14.475 105.188 ( 0.440 -0.236 -1.117) 1.224 105.203 ( 0.284 0.022 -0.182) 0.338 106.067 ( -0.823 -3.271 1.340) 3.629 106.157 ( 0.327 -4.145 0.357) 4.173 ======================= Grid point 22 (15/272) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 5.087 0.000) 5.087 1.873 ( 0.000 7.044 0.000) 7.044 2.627 ( 0.000 11.122 0.000) 11.122 2.919 ( 0.000 19.207 0.000) 19.207 3.689 ( 0.000 5.506 0.000) 5.506 3.867 ( 0.000 4.626 0.000) 4.626 3.975 ( -0.000 6.174 -0.000) 6.174 4.107 ( -0.000 4.860 0.000) 4.860 4.410 ( 0.000 13.544 0.000) 13.544 4.563 ( 0.000 9.164 -0.000) 9.164 5.374 ( 0.000 -1.998 -0.000) 1.998 5.849 ( 0.000 -3.954 0.000) 3.954 8.092 ( 0.000 -0.342 0.000) 0.342 8.649 ( 0.000 -9.271 0.000) 9.271 9.444 ( 0.000 10.989 0.000) 10.989 9.472 ( 0.000 -11.934 0.000) 11.934 10.367 ( 0.000 -14.092 0.000) 14.092 10.401 ( 0.000 3.142 0.000) 3.142 10.916 ( 0.000 1.616 0.000) 1.616 11.810 ( 0.000 15.424 0.000) 15.424 12.292 ( 0.000 -10.458 0.000) 10.458 12.844 ( 0.000 8.729 0.000) 8.729 13.346 ( 0.000 -9.353 0.000) 9.353 13.685 ( 0.000 -4.148 -0.000) 4.148 16.998 ( 0.000 16.168 0.000) 16.168 17.978 ( 0.000 36.465 0.000) 36.465 21.200 ( 0.000 -17.432 -0.000) 17.432 21.315 ( 0.000 -21.989 0.000) 21.989 22.634 ( 0.000 4.111 0.000) 4.111 23.671 ( 0.000 0.334 0.000) 0.334 24.363 ( 0.000 11.701 0.000) 11.701 24.717 ( 0.000 17.134 0.000) 17.134 105.189 ( 0.000 -0.200 0.000) 0.200 105.205 ( 0.000 0.064 0.000) 0.064 106.062 ( 0.000 -3.237 0.000) 3.237 106.161 ( 0.000 -4.104 0.000) 4.104 ======================= Grid point 27 (16/272) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 0.000 18.746 0.000) 18.746 1.795 ( 0.000 27.192 0.000) 27.192 2.766 ( 0.000 8.288 0.000) 8.288 3.143 ( 0.000 27.619 0.000) 27.619 3.283 ( 0.000 2.446 0.000) 2.446 4.122 ( 0.000 23.759 0.000) 23.759 4.197 ( 0.000 -3.342 0.000) 3.342 4.611 ( 0.000 -4.469 0.000) 4.469 4.797 ( 0.000 17.156 0.000) 17.156 5.132 ( 0.000 7.802 0.000) 7.802 5.306 ( 0.000 -3.816 0.000) 3.816 5.639 ( 0.000 -7.871 0.000) 7.871 8.756 ( 0.000 -7.098 0.000) 7.098 8.769 ( 0.000 -7.847 0.000) 7.847 9.115 ( 0.000 -5.000 0.000) 5.000 9.713 ( 0.000 8.168 0.000) 8.168 10.085 ( 0.000 -3.920 0.000) 3.920 10.367 ( 0.000 -1.444 0.000) 1.444 11.268 ( 0.000 7.071 0.000) 7.071 11.540 ( 0.000 2.168 0.000) 2.168 12.186 ( 0.000 5.139 0.000) 5.139 12.340 ( 0.000 -2.778 0.000) 2.778 13.144 ( 0.000 -1.919 0.000) 1.919 13.753 ( 0.000 -6.271 0.000) 6.271 17.752 ( 0.000 8.944 0.000) 8.944 19.789 ( 0.000 -10.625 0.000) 10.625 20.841 ( 0.000 -8.786 0.000) 8.786 21.248 ( 0.000 -1.010 0.000) 1.010 22.621 ( 0.000 8.311 0.000) 8.311 23.207 ( 0.000 14.228 0.000) 14.228 24.505 ( 0.000 11.204 0.000) 11.204 24.702 ( 0.000 2.708 0.000) 2.708 105.166 ( 0.000 0.436 0.000) 0.436 105.188 ( 0.000 0.011 0.000) 0.011 106.024 ( 0.000 -3.917 0.000) 3.917 106.026 ( 0.000 -3.992 0.000) 3.992 ======================= Grid point 28 (17/272) ======================= q-point: ( 0.12 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 5.674 17.966 -0.269) 18.843 1.797 ( 1.656 25.846 -1.772) 25.959 2.750 ( -2.049 2.528 -1.295) 3.502 3.204 ( 7.500 22.426 -1.916) 23.724 3.378 ( 6.517 10.189 6.578) 13.768 4.006 ( -8.320 14.490 -1.675) 16.793 4.243 ( 0.564 4.443 4.384) 6.267 4.572 ( -3.213 -1.831 -0.496) 3.731 4.786 ( -1.228 15.568 0.163) 15.618 5.049 ( -6.849 7.673 1.481) 10.391 5.331 ( 2.019 -2.474 -2.998) 4.380 5.660 ( 2.383 -6.876 -1.625) 7.456 8.516 ( -11.204 -4.287 -1.648) 12.108 8.909 ( -5.066 -0.701 -0.523) 5.141 9.063 ( 3.458 -12.984 -0.403) 13.443 9.707 ( -0.827 8.067 1.113) 8.185 9.894 ( -6.041 -3.037 0.514) 6.781 10.768 ( 23.130 -2.783 -0.041) 23.297 11.209 ( -4.894 4.332 0.732) 6.577 11.401 ( -10.601 3.809 -0.539) 11.277 12.112 ( -2.275 -3.613 1.919) 4.681 12.550 ( 13.791 5.069 -1.610) 14.781 13.141 ( -0.116 -2.816 -0.557) 2.873 13.746 ( -1.069 -5.793 0.869) 5.955 17.718 ( -2.480 9.609 -4.255) 10.798 19.535 ( -22.852 6.533 1.486) 23.814 20.766 ( -5.387 -7.466 3.898) 9.998 21.183 ( -3.306 -7.700 -5.555) 10.054 22.631 ( 1.086 6.487 0.050) 6.578 23.390 ( 12.290 5.935 1.802) 13.767 24.533 ( 3.428 11.507 -3.943) 12.637 24.751 ( 4.657 6.064 1.069) 7.720 105.171 ( 0.837 0.227 -1.584) 1.806 105.191 ( 0.017 0.065 0.850) 0.852 106.015 ( -1.309 -4.008 2.895) 5.115 106.039 ( 1.253 -4.123 -1.709) 4.636 ======================= Grid point 29 (18/272) ======================= q-point: ( 0.25 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 6.600 16.975 -1.570) 18.281 1.880 ( 7.545 19.013 -2.240) 20.578 2.679 ( -2.866 2.061 -1.705) 3.920 3.397 ( 9.743 5.484 2.606) 11.480 3.580 ( 8.339 21.074 3.992) 23.013 3.793 ( -10.462 12.169 0.321) 16.051 4.238 ( -3.137 3.050 2.910) 5.255 4.495 ( -4.078 4.468 -0.086) 6.050 4.747 ( -2.597 13.122 0.307) 13.380 4.920 ( -5.207 10.531 -0.897) 11.782 5.343 ( 0.338 -1.446 -0.617) 1.608 5.708 ( 3.123 -5.420 -2.540) 6.751 8.303 ( -8.571 -0.341 -1.816) 8.768 8.699 ( -9.962 -1.874 -0.738) 10.164 9.178 ( 4.121 -12.866 0.184) 13.512 9.694 ( -1.108 8.853 1.512) 9.049 9.895 ( 4.666 -7.135 -0.187) 8.527 10.875 ( -12.738 5.657 -0.282) 13.941 11.092 ( -6.570 1.747 1.412) 6.944 11.484 ( 20.034 -4.102 -0.580) 20.458 12.105 ( -0.289 -4.978 1.094) 5.105 12.791 ( 9.175 6.099 -0.298) 11.021 13.142 ( 1.517 -3.733 -2.083) 4.536 13.715 ( -2.742 -4.565 1.578) 5.554 17.597 ( -5.967 12.372 -7.693) 15.744 19.063 ( -21.536 27.819 5.901) 35.672 20.733 ( 1.162 -11.951 -0.747) 12.030 21.083 ( -4.664 -14.282 -0.979) 15.056 22.655 ( 0.861 3.326 0.450) 3.465 23.578 ( 4.707 -1.900 1.153) 5.205 24.584 ( 3.791 12.408 -5.021) 13.912 24.892 ( 7.912 12.806 0.562) 15.064 105.179 ( 0.814 -0.025 -1.730) 1.912 105.198 ( 0.176 0.143 0.835) 0.866 106.003 ( -1.106 -3.978 1.958) 4.570 106.055 ( 0.891 -4.457 -0.603) 4.585 ======================= Grid point 30 (19/272) ======================= q-point: ( 0.38 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 5.511 13.910 -1.575) 15.045 2.015 ( 4.769 11.419 -1.752) 12.498 2.682 ( 5.333 5.926 -1.019) 8.037 3.418 ( -14.508 7.405 0.349) 16.293 3.628 ( 6.889 -0.315 5.088) 8.570 3.864 ( 8.253 17.766 1.850) 19.677 4.174 ( -1.721 3.878 -2.075) 4.723 4.393 ( -6.714 11.622 1.847) 13.548 4.696 ( -2.027 11.971 -0.254) 12.144 4.844 ( -1.912 13.526 -0.974) 13.695 5.346 ( 0.057 -0.525 0.532) 0.750 5.748 ( 1.874 -4.675 -1.730) 5.325 8.159 ( -4.637 1.664 -1.119) 5.052 8.548 ( -4.555 -4.013 -0.304) 6.078 9.225 ( 1.013 -11.675 0.260) 11.722 9.681 ( -0.790 10.417 0.990) 10.494 10.017 ( 6.065 -11.804 -0.678) 13.288 10.586 ( -12.072 3.341 -0.239) 12.528 10.997 ( -3.642 2.977 1.433) 4.917 11.872 ( 15.546 -2.766 -0.585) 15.801 12.099 ( -0.534 -2.956 0.582) 3.060 12.875 ( -0.589 -3.755 0.586) 3.846 13.214 ( 6.425 2.363 -2.771) 7.385 13.652 ( -4.071 -3.488 1.694) 5.623 17.427 ( -5.666 16.504 -5.937) 18.432 18.785 ( -9.358 33.748 5.384) 35.433 20.787 ( 4.935 -15.402 -3.714) 16.595 20.983 ( -5.640 -17.176 2.767) 18.289 22.666 ( 0.069 0.818 0.410) 0.918 23.621 ( 0.096 -4.367 0.484) 4.395 24.626 ( 2.472 14.580 -3.240) 15.139 25.036 ( 5.340 17.309 0.010) 18.114 105.185 ( 0.411 -0.072 -0.868) 0.964 105.205 ( 0.187 0.171 0.319) 0.407 105.993 ( -0.655 -3.896 0.969) 4.067 106.067 ( 0.439 -4.643 -0.182) 4.667 ======================= Grid point 31 (20/272) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 11.320 0.000) 11.320 2.046 ( 0.000 9.798 0.000) 9.798 2.804 ( 0.000 6.635 0.000) 6.635 3.197 ( 0.000 8.163 0.000) 8.163 3.746 ( 0.000 -0.147 0.000) 0.147 3.927 ( 0.000 -0.995 -0.000) 0.995 4.218 ( 0.000 17.315 -0.000) 17.315 4.266 ( -0.000 14.250 0.000) 14.250 4.674 ( 0.000 12.063 0.000) 12.063 4.823 ( 0.000 14.304 -0.000) 14.304 5.349 ( 0.000 -0.135 -0.000) 0.135 5.763 ( 0.000 -4.468 0.000) 4.468 8.108 ( 0.000 1.996 0.000) 1.996 8.503 ( 0.000 -4.682 0.000) 4.682 9.235 ( 0.000 -11.421 0.000) 11.421 9.675 ( 0.000 11.530 0.000) 11.530 10.084 ( 0.000 -13.856 0.000) 13.856 10.454 ( 0.000 1.954 0.000) 1.954 10.963 ( 0.000 3.617 0.000) 3.617 12.034 ( 0.000 -7.632 0.000) 7.632 12.102 ( 0.000 5.777 0.000) 5.777 12.852 ( 0.000 -10.393 0.000) 10.393 13.292 ( 0.000 6.119 0.000) 6.119 13.602 ( 0.000 -3.697 -0.000) 3.697 17.348 ( 0.000 18.227 0.000) 18.227 18.710 ( 0.000 34.264 0.000) 34.264 20.867 ( 0.000 -15.496 -0.000) 15.496 20.895 ( -0.000 -19.024 0.000) 19.024 22.667 ( 0.000 -0.094 0.000) 0.094 23.619 ( 0.000 -4.883 0.000) 4.883 24.644 ( 0.000 15.670 -0.000) 15.670 25.092 ( 0.000 18.829 0.000) 18.829 105.186 ( 0.000 -0.067 -0.000) 0.067 105.208 ( 0.000 0.184 0.000) 0.184 105.989 ( 0.000 -3.856 0.000) 3.856 106.071 ( 0.000 -4.689 0.000) 4.689 ======================= Grid point 36 (21/272) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.000 14.486 0.000) 14.486 2.321 ( 0.000 25.032 0.000) 25.032 2.679 ( 0.000 -8.731 0.000) 8.731 3.363 ( 0.000 5.683 0.000) 5.683 3.825 ( 0.000 27.661 0.000) 27.661 4.165 ( 0.000 4.050 0.000) 4.050 4.493 ( 0.000 -7.055 0.000) 7.055 4.577 ( 0.000 20.824 0.000) 20.824 5.123 ( 0.000 14.118 0.000) 14.118 5.233 ( 0.000 -2.826 0.000) 2.826 5.270 ( 0.000 4.558 0.000) 4.558 5.495 ( 0.000 -5.247 0.000) 5.247 8.521 ( 0.000 -13.383 0.000) 13.383 8.592 ( 0.000 -9.395 0.000) 9.395 9.154 ( 0.000 6.518 0.000) 6.518 9.879 ( 0.000 7.964 0.000) 7.964 10.043 ( 0.000 -0.459 0.000) 0.459 10.309 ( 0.000 -4.243 0.000) 4.243 11.373 ( 0.000 3.256 0.000) 3.256 11.540 ( 0.000 -2.469 0.000) 2.469 12.274 ( 0.000 3.860 0.000) 3.860 12.344 ( 0.000 3.464 0.000) 3.464 13.099 ( 0.000 -2.486 0.000) 2.486 13.628 ( 0.000 -6.205 0.000) 6.205 17.945 ( 0.000 10.164 0.000) 10.164 19.545 ( 0.000 -13.274 0.000) 13.274 20.720 ( 0.000 -3.317 0.000) 3.317 21.238 ( 0.000 -0.856 0.000) 0.856 22.759 ( 0.000 6.041 0.000) 6.041 23.413 ( 0.000 6.309 0.000) 6.309 24.746 ( 0.000 12.049 0.000) 12.049 24.793 ( 0.000 6.125 0.000) 6.125 105.175 ( 0.000 0.475 0.000) 0.475 105.189 ( 0.000 0.090 0.000) 0.090 105.945 ( 0.000 -3.872 0.000) 3.872 105.945 ( 0.000 -3.880 0.000) 3.880 ======================= Grid point 37 (22/272) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 5.162 14.300 -0.780) 15.223 2.299 ( -1.526 23.458 -1.420) 23.550 2.669 ( -0.958 -6.443 1.231) 6.629 3.374 ( 1.319 5.119 1.149) 5.409 3.886 ( 3.124 17.662 1.386) 17.990 4.133 ( -2.413 11.158 -0.389) 11.422 4.389 ( -6.804 -0.528 1.952) 7.098 4.647 ( 3.939 14.466 -0.993) 15.026 5.068 ( -4.431 10.086 -0.450) 11.026 5.166 ( -4.994 3.260 3.580) 6.956 5.317 ( 2.900 2.364 -1.659) 4.093 5.541 ( 4.481 -4.086 -3.075) 6.799 8.379 ( -7.267 -8.005 0.021) 10.811 8.756 ( 9.357 -12.890 -0.950) 15.956 9.021 ( -11.338 6.522 -2.057) 13.241 9.793 ( -7.343 -1.489 -0.663) 7.521 9.919 ( -1.845 7.266 1.709) 7.689 10.687 ( 23.448 -5.182 0.333) 24.016 11.272 ( -7.224 1.403 0.019) 7.359 11.499 ( -7.475 5.456 -0.616) 9.275 12.013 ( -7.971 -4.868 1.535) 9.465 12.664 ( 14.557 5.076 0.719) 15.433 13.082 ( -0.699 -2.513 -0.658) 2.690 13.636 ( 0.614 -5.036 0.092) 5.074 17.925 ( -0.927 10.984 -4.194) 11.794 19.512 ( -3.904 -7.067 2.540) 8.464 20.664 ( -6.231 -3.015 4.666) 8.348 21.097 ( -10.600 -2.064 -4.008) 11.519 22.737 ( -1.353 4.792 -1.065) 5.092 23.473 ( 3.653 1.931 1.583) 4.425 24.762 ( 3.599 10.916 -3.285) 11.954 24.919 ( 10.074 9.957 0.909) 14.193 105.177 ( 0.374 0.352 -0.807) 0.957 105.193 ( 0.148 0.149 0.707) 0.738 105.934 ( -0.975 -3.833 1.680) 4.297 105.956 ( 0.917 -3.995 -1.337) 4.311 ======================= Grid point 38 (23/272) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 6.150 14.198 -2.248) 15.635 2.262 ( -0.714 17.260 -2.303) 17.428 2.678 ( 1.640 -0.061 2.002) 2.589 3.443 ( 4.066 2.375 3.452) 5.839 3.810 ( -11.542 -0.469 1.185) 11.612 4.106 ( -2.662 9.981 0.316) 10.335 4.335 ( 3.215 14.005 0.171) 14.370 4.699 ( 1.378 14.872 -0.229) 14.938 4.971 ( -4.193 8.153 -0.874) 9.209 5.096 ( -3.278 5.133 2.376) 6.537 5.359 ( 1.876 4.387 -0.544) 4.802 5.613 ( 3.889 -3.630 -2.972) 6.094 8.259 ( -4.322 -3.085 -0.654) 5.350 8.747 ( -12.164 5.775 -2.071) 13.624 8.916 ( 5.794 -12.719 -0.081) 13.977 9.709 ( -0.469 -7.383 -1.179) 7.492 9.915 ( -0.066 9.145 1.753) 9.312 10.928 ( -8.050 -1.134 -1.927) 8.355 11.179 ( -3.683 6.332 1.623) 7.503 11.396 ( 10.143 -2.852 -0.127) 10.537 11.983 ( 1.609 -7.424 1.837) 7.816 12.814 ( -1.794 -4.889 1.201) 5.344 13.146 ( 8.814 4.922 -1.351) 10.186 13.642 ( -0.420 -2.615 0.221) 2.657 17.860 ( -2.351 13.814 -6.872) 15.607 19.423 ( -6.715 7.725 6.199) 11.967 20.559 ( -4.906 -5.333 2.493) 7.663 20.858 ( -9.864 -8.022 -2.658) 12.989 22.704 ( -1.309 2.448 -0.922) 2.925 23.523 ( 0.194 -3.690 1.379) 3.944 24.846 ( 5.867 13.388 -3.433) 15.015 25.159 ( 12.006 12.742 0.086) 17.508 105.181 ( 0.430 0.199 -0.776) 0.910 105.201 ( 0.256 0.194 0.668) 0.741 105.924 ( -0.806 -3.755 1.163) 4.012 105.967 ( 0.686 -4.201 -0.752) 4.323 ======================= Grid point 39 (24/272) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 3.330 13.720 -2.880) 14.410 2.249 ( 0.002 10.734 -0.717) 10.758 2.782 ( 7.731 5.063 1.049) 9.301 3.489 ( -10.992 1.326 -0.266) 11.075 3.605 ( 1.583 -1.906 5.950) 6.445 3.987 ( -7.321 -2.704 -1.643) 7.975 4.473 ( 8.146 21.836 -0.930) 23.325 4.693 ( -2.318 16.487 0.775) 16.667 4.903 ( -1.829 8.386 -0.989) 8.640 5.061 ( -1.237 6.233 1.109) 6.451 5.388 ( 1.051 5.627 0.121) 5.726 5.660 ( 1.909 -3.942 -1.625) 4.671 8.193 ( -1.917 1.808 -0.589) 2.700 8.541 ( -6.751 3.084 -1.094) 7.502 8.995 ( 2.081 -10.966 0.396) 11.169 9.734 ( 2.652 -11.010 -1.137) 11.382 9.932 ( 0.908 9.253 0.822) 9.334 10.638 ( -13.714 1.711 -0.749) 13.840 11.102 ( -2.796 7.668 0.812) 8.202 11.687 ( 10.774 -11.674 -0.766) 15.904 12.082 ( 8.000 -2.883 2.034) 8.743 12.688 ( -9.084 -11.866 0.169) 14.945 13.341 ( 9.293 7.586 -0.794) 12.023 13.612 ( -2.785 -0.278 0.341) 2.820 17.772 ( -2.376 17.793 -5.314) 18.721 19.331 ( -5.041 19.113 5.785) 20.596 20.520 ( 1.200 -10.723 -2.683) 11.118 20.681 ( -7.472 -12.735 1.914) 14.888 22.676 ( -0.976 0.961 -0.464) 1.446 23.510 ( -1.406 -6.427 0.605) 6.607 24.938 ( 4.185 15.947 -2.134) 16.624 25.364 ( 7.452 14.561 -0.159) 16.358 105.185 ( 0.269 0.139 -0.406) 0.506 105.209 ( 0.186 0.193 0.351) 0.442 105.915 ( -0.467 -3.652 0.564) 3.724 105.975 ( 0.359 -4.370 -0.319) 4.396 ======================= Grid point 40 (25/272) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.000 12.813 0.000) 12.813 2.247 ( 0.000 9.457 0.000) 9.457 2.919 ( 0.000 5.372 0.000) 5.372 3.291 ( 0.000 2.403 0.000) 2.403 3.708 ( 0.000 -3.037 0.000) 3.037 3.863 ( 0.000 -4.155 0.000) 4.155 4.608 ( 0.000 19.984 0.000) 19.984 4.619 ( 0.000 18.372 -0.000) 18.372 4.883 ( 0.000 8.580 0.000) 8.580 5.052 ( 0.000 6.807 0.000) 6.807 5.399 ( 0.000 5.975 -0.000) 5.975 5.674 ( 0.000 -4.165 0.000) 4.165 8.172 ( 0.000 4.242 -0.000) 4.242 8.469 ( 0.000 1.283 0.000) 1.283 9.016 ( 0.000 -10.236 0.000) 10.236 9.765 ( 0.000 -11.859 0.000) 11.859 9.948 ( 0.000 9.587 0.000) 9.587 10.480 ( 0.000 0.812 0.000) 0.812 11.077 ( 0.000 7.790 0.000) 7.790 11.778 ( 0.000 -13.153 0.000) 13.153 12.240 ( 0.000 3.310 -0.000) 3.310 12.541 ( 0.000 -18.195 0.000) 18.195 13.466 ( -0.000 8.795 0.000) 8.795 13.555 ( 0.000 -0.601 0.000) 0.601 17.729 ( 0.000 19.695 0.000) 19.695 19.295 ( 0.000 22.353 0.000) 22.353 20.564 ( 0.000 -13.563 -0.000) 13.563 20.574 ( -0.000 -13.569 0.000) 13.569 22.664 ( 0.000 0.519 0.000) 0.519 23.494 ( 0.000 -7.171 0.000) 7.171 24.977 ( 0.000 16.941 -0.000) 16.941 25.442 ( 0.000 15.239 0.000) 15.239 105.187 ( 0.000 0.128 -0.000) 0.128 105.212 ( 0.000 0.189 0.000) 0.189 105.912 ( 0.000 -3.604 0.000) 3.604 105.977 ( 0.000 -4.429 0.000) 4.429 ======================= Grid point 45 (26/272) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 9.903 0.000) 9.903 2.482 ( 0.000 -10.428 0.000) 10.428 2.806 ( 0.000 22.973 0.000) 22.973 3.509 ( 0.000 8.434 0.000) 8.434 3.965 ( 0.000 -3.457 0.000) 3.457 4.303 ( 0.000 -9.355 0.000) 9.355 4.597 ( 0.000 25.343 0.000) 25.343 4.940 ( 0.000 14.468 0.000) 14.468 5.165 ( 0.000 -1.687 0.000) 1.687 5.256 ( 0.000 -4.498 0.000) 4.498 5.385 ( 0.000 9.876 0.000) 9.876 5.487 ( 0.000 3.088 0.000) 3.088 8.282 ( 0.000 -9.553 0.000) 9.553 8.402 ( 0.000 -9.161 0.000) 9.161 9.326 ( 0.000 9.993 0.000) 9.993 10.006 ( 0.000 3.248 0.000) 3.248 10.059 ( 0.000 1.912 0.000) 1.912 10.211 ( 0.000 -4.413 0.000) 4.413 11.399 ( 0.000 -0.541 0.000) 0.541 11.454 ( 0.000 -5.261 0.000) 5.261 12.355 ( 0.000 4.411 0.000) 4.411 12.458 ( 0.000 6.699 0.000) 6.699 13.054 ( 0.000 -1.469 0.000) 1.469 13.499 ( 0.000 -6.781 0.000) 6.781 18.163 ( 0.000 11.480 0.000) 11.480 19.264 ( 0.000 -14.402 0.000) 14.402 20.703 ( 0.000 1.486 0.000) 1.486 21.188 ( 0.000 -4.394 0.000) 4.394 22.891 ( 0.000 7.464 0.000) 7.464 23.469 ( 0.000 -0.473 0.000) 0.473 24.933 ( 0.000 7.184 0.000) 7.184 24.966 ( 0.000 9.156 0.000) 9.156 105.185 ( 0.000 0.417 0.000) 0.417 105.192 ( 0.000 0.140 0.000) 0.140 105.873 ( 0.000 -3.072 0.000) 3.072 105.874 ( 0.000 -3.063 0.000) 3.063 ======================= Grid point 46 (27/272) ======================= q-point: ( 0.12 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 4.952 9.928 -0.074) 11.095 2.474 ( -1.357 -7.903 1.550) 8.167 2.796 ( -0.670 21.127 0.927) 21.158 3.502 ( -0.473 7.430 0.678) 7.475 3.918 ( -5.141 -4.178 0.601) 6.652 4.226 ( -6.687 -8.302 -0.344) 10.666 4.653 ( 5.235 24.625 -0.407) 25.178 4.962 ( 2.096 13.588 -1.078) 13.791 5.135 ( -2.826 0.032 1.262) 3.096 5.192 ( -4.701 -1.359 1.394) 5.088 5.437 ( 3.273 7.486 0.436) 8.182 5.519 ( 3.526 1.418 -3.558) 5.206 8.233 ( -2.566 -5.844 0.442) 6.397 8.508 ( 8.146 -11.297 -1.370) 13.995 9.188 ( -11.775 9.381 -2.298) 15.229 9.740 ( -12.454 -3.144 -0.877) 12.875 10.081 ( 1.032 7.781 1.146) 7.932 10.568 ( 20.820 -6.291 0.507) 21.756 11.279 ( -6.173 -0.103 -0.738) 6.218 11.551 ( 3.330 -1.941 0.437) 3.879 11.992 ( -18.502 4.342 0.670) 19.016 12.701 ( 5.101 -2.406 1.593) 5.861 13.078 ( 5.568 2.925 -0.343) 6.299 13.539 ( 3.362 -4.816 -0.324) 5.882 18.162 ( 0.873 12.588 -3.567) 13.113 19.305 ( 3.335 -12.562 2.026) 13.154 20.641 ( -6.458 0.791 2.976) 7.155 21.048 ( -12.288 -3.635 -1.492) 12.901 22.851 ( -2.999 6.953 -0.955) 7.632 23.465 ( -1.076 -2.670 0.895) 3.015 24.971 ( 5.550 9.686 -1.818) 11.311 25.111 ( 11.554 8.220 0.345) 14.184 105.185 ( 0.118 0.371 -0.291) 0.486 105.196 ( 0.235 0.149 0.505) 0.577 105.865 ( -0.634 -2.926 0.781) 3.094 105.882 ( 0.597 -3.218 -0.753) 3.359 ======================= Grid point 47 (28/272) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 6.092 10.170 -0.886) 11.888 2.438 ( -2.898 -0.964 1.966) 3.632 2.818 ( 2.797 15.136 1.314) 15.448 3.512 ( 0.908 4.429 2.364) 5.102 3.754 ( -11.314 -4.016 1.170) 12.062 4.064 ( -8.202 -7.024 -1.459) 10.896 4.777 ( 6.641 22.172 -1.054) 23.169 4.995 ( 1.672 12.146 -2.246) 12.464 5.081 ( -2.847 3.912 1.096) 4.961 5.124 ( -2.528 -0.505 2.187) 3.380 5.498 ( 2.367 7.190 0.611) 7.594 5.568 ( 2.869 -0.871 -3.353) 4.498 8.212 ( 0.501 -1.129 -0.410) 1.301 8.669 ( 7.409 -11.397 -0.553) 13.605 8.900 ( -13.591 8.502 -2.092) 16.167 9.551 ( -5.759 -7.855 -1.297) 9.826 10.109 ( 1.182 9.675 0.884) 9.786 10.847 ( 1.056 -6.525 -2.672) 7.129 11.232 ( 4.884 -0.072 1.697) 5.171 11.482 ( -8.286 9.735 -0.109) 12.784 11.814 ( 0.962 -8.224 2.125) 8.548 12.643 ( -8.284 -10.901 1.087) 13.735 13.281 ( 11.412 7.229 0.078) 13.509 13.603 ( 2.711 -1.530 -0.427) 3.142 18.158 ( 1.142 15.788 -5.510) 16.760 19.409 ( 4.833 -7.590 3.729) 9.741 20.499 ( -8.598 -1.081 3.919) 9.511 20.742 ( -14.947 -4.239 -2.116) 15.680 22.782 ( -2.948 5.628 -0.975) 6.428 23.426 ( -2.987 -5.893 0.721) 6.646 25.111 ( 8.307 12.548 -1.874) 15.164 25.378 ( 13.262 8.466 -0.066) 15.734 105.187 ( 0.207 0.333 -0.193) 0.437 105.205 ( 0.278 0.104 0.505) 0.586 105.857 ( -0.506 -2.773 0.523) 2.867 105.889 ( 0.445 -3.380 -0.503) 3.446 ======================= Grid point 48 (29/272) ======================= q-point: ( 0.38 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 2.879 10.840 -1.524) 11.319 2.402 ( -1.242 3.737 1.709) 4.293 2.926 ( 6.884 9.733 0.898) 11.955 3.497 ( -12.230 -0.592 0.242) 12.247 3.573 ( 2.271 -0.544 4.262) 4.860 3.891 ( -7.420 -6.012 -2.673) 9.916 4.891 ( 4.879 18.209 -1.203) 18.890 4.999 ( 0.031 11.433 -2.062) 11.617 5.039 ( -1.910 6.547 1.214) 6.927 5.112 ( -0.065 0.979 1.421) 1.727 5.538 ( 1.295 7.313 0.433) 7.439 5.595 ( 1.139 -2.396 -1.700) 3.151 8.241 ( 2.302 3.196 -0.526) 3.974 8.649 ( -8.868 6.738 -1.258) 11.208 8.789 ( 3.492 -9.092 0.445) 9.749 9.485 ( -0.510 -12.568 -1.248) 12.640 10.144 ( 2.192 10.697 0.084) 10.920 10.656 ( -12.351 0.027 -1.535) 12.447 11.295 ( -2.368 10.529 1.129) 10.851 11.476 ( 6.167 -7.692 -0.675) 9.882 11.939 ( 9.359 -10.640 2.292) 14.355 12.442 ( -11.406 -12.447 0.231) 16.884 13.481 ( 7.717 6.120 0.120) 9.850 13.633 ( 0.200 1.737 -0.284) 1.771 18.150 ( 0.745 19.720 -4.230) 20.183 19.518 ( 3.257 -0.773 3.733) 5.014 20.368 ( -4.703 -4.376 0.589) 6.451 20.475 ( -10.037 -7.541 0.001) 12.554 22.729 ( -1.741 4.564 -0.524) 4.913 23.367 ( -2.653 -7.672 0.230) 8.121 25.252 ( 5.656 14.754 -1.145) 15.842 25.604 ( 8.231 8.868 -0.142) 12.100 105.190 ( 0.158 0.311 -0.081) 0.358 105.212 ( 0.175 0.055 0.309) 0.359 105.851 ( -0.283 -2.637 0.243) 2.663 105.894 ( 0.234 -3.506 -0.242) 3.522 ======================= Grid point 49 (30/272) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 0.000 11.241 0.000) 11.241 2.398 ( 0.000 4.911 0.000) 4.911 3.042 ( 0.000 7.123 0.000) 7.123 3.324 ( 0.000 1.160 0.000) 1.160 3.642 ( 0.000 -3.144 0.000) 3.144 3.777 ( 0.000 -4.382 0.000) 4.382 4.949 ( -0.000 13.276 0.000) 13.276 4.983 ( 0.000 15.789 0.000) 15.789 5.021 ( 0.000 5.964 0.000) 5.964 5.118 ( 0.000 1.733 0.000) 1.733 5.553 ( 0.000 7.342 0.000) 7.342 5.601 ( 0.000 -2.947 -0.000) 2.947 8.272 ( 0.000 5.530 -0.000) 5.530 8.545 ( 0.000 5.921 0.000) 5.921 8.826 ( 0.000 -8.485 -0.000) 8.485 9.483 ( 0.000 -14.412 0.000) 14.412 10.182 ( 0.000 11.789 0.000) 11.789 10.494 ( 0.000 0.756 0.000) 0.756 11.271 ( 0.000 11.222 0.000) 11.222 11.537 ( 0.000 -10.081 0.000) 10.081 12.158 ( 0.000 -19.238 0.000) 19.238 12.219 ( -0.000 -5.188 -0.000) 5.188 13.580 ( -0.000 2.820 0.000) 2.820 13.614 ( 0.000 5.655 0.000) 5.655 18.145 ( 0.000 21.565 0.000) 21.565 19.563 ( 0.000 3.220 0.000) 3.220 20.340 ( 0.000 -8.635 -0.000) 8.635 20.350 ( -0.000 -7.722 0.000) 7.722 22.709 ( 0.000 4.201 0.000) 4.201 23.338 ( 0.000 -8.169 0.000) 8.169 25.309 ( 0.000 15.556 -0.000) 15.556 25.690 ( 0.000 9.061 0.000) 9.061 105.191 ( 0.000 0.303 -0.000) 0.303 105.214 ( 0.000 0.035 0.000) 0.035 105.849 ( 0.000 -2.580 0.000) 2.580 105.896 ( 0.000 -3.552 0.000) 3.552 ======================= Grid point 54 (31/272) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 8.135 0.000) 8.135 2.271 ( 0.000 -10.228 0.000) 10.228 3.244 ( 0.000 20.326 0.000) 20.326 3.688 ( 0.000 9.047 0.000) 9.047 3.850 ( 0.000 -8.137 0.000) 8.137 4.082 ( 0.000 -11.509 0.000) 11.509 5.028 ( 0.000 15.280 0.000) 15.280 5.089 ( 0.000 0.796 0.000) 0.796 5.173 ( 0.000 -2.272 0.000) 2.272 5.217 ( 0.000 6.112 0.000) 6.112 5.524 ( 0.000 3.821 0.000) 3.821 5.542 ( 0.000 1.742 0.000) 1.742 8.150 ( 0.000 -3.485 0.000) 3.485 8.237 ( 0.000 -6.838 0.000) 6.838 9.541 ( 0.000 11.011 0.000) 11.011 9.949 ( 0.000 -7.727 0.000) 7.727 10.113 ( 0.000 3.098 0.000) 3.098 10.184 ( 0.000 0.446 0.000) 0.446 11.362 ( 0.000 -3.251 0.000) 3.251 11.367 ( 0.000 -2.136 0.000) 2.136 12.451 ( 0.000 4.939 0.000) 4.939 12.559 ( 0.000 2.192 0.000) 2.192 13.068 ( 0.000 3.485 0.000) 3.485 13.351 ( 0.000 -7.856 0.000) 7.856 18.409 ( 0.000 12.887 0.000) 12.887 18.970 ( 0.000 -14.581 0.000) 14.581 20.773 ( 0.000 5.335 0.000) 5.335 21.065 ( 0.000 -7.443 0.000) 7.443 23.063 ( 0.000 9.399 0.000) 9.399 23.404 ( 0.000 -5.705 0.000) 5.705 25.063 ( 0.000 5.282 0.000) 5.282 25.101 ( 0.000 4.131 0.000) 4.131 105.192 ( 0.000 0.261 0.000) 0.261 105.194 ( 0.000 0.097 0.000) 0.097 105.825 ( 0.000 -1.682 0.000) 1.682 105.825 ( 0.000 -1.703 0.000) 1.703 ======================= Grid point 55 (32/272) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 4.445 7.887 1.388) 9.159 2.295 ( 1.425 -9.080 2.967) 9.658 3.213 ( -2.981 19.521 1.019) 19.774 3.660 ( -2.293 7.748 -0.463) 8.093 3.801 ( -5.216 -7.612 1.233) 9.309 4.026 ( -4.777 -10.577 -1.191) 11.667 5.064 ( 2.951 12.720 0.185) 13.059 5.087 ( 0.234 1.382 -0.853) 1.641 5.144 ( -2.266 -0.213 0.343) 2.301 5.228 ( 0.700 6.701 0.639) 6.768 5.543 ( 2.092 2.401 -2.518) 4.060 5.559 ( 1.706 1.975 -0.399) 2.640 8.159 ( 1.591 -1.236 0.066) 2.015 8.309 ( 6.559 -8.193 -1.235) 10.567 9.380 ( -13.149 9.244 -2.023) 16.200 9.664 ( -15.106 -4.574 -1.101) 15.822 10.221 ( 4.606 6.123 0.581) 7.684 10.444 ( 16.525 -5.876 0.501) 17.546 11.288 ( -2.973 1.302 -0.683) 3.317 11.451 ( 4.193 -6.192 0.470) 7.492 12.159 ( -18.286 10.599 0.636) 21.146 12.581 ( -6.026 -8.576 1.199) 10.550 13.183 ( 10.669 6.471 0.148) 12.479 13.436 ( 6.745 -5.487 -0.303) 8.700 18.432 ( 2.856 14.128 -2.231) 14.585 19.027 ( 5.157 -14.596 0.958) 15.510 20.694 ( -7.698 4.334 1.324) 8.933 20.943 ( -11.115 -6.417 -0.388) 12.841 23.018 ( -3.867 9.258 -0.289) 10.038 23.369 ( -3.319 -6.624 0.344) 7.417 25.142 ( 7.841 6.916 -0.736) 10.481 25.229 ( 11.021 3.214 0.075) 11.480 105.192 ( 0.050 0.314 0.020) 0.318 105.198 ( 0.207 0.021 0.337) 0.396 105.820 ( -0.304 -1.469 0.249) 1.521 105.830 ( 0.300 -1.906 -0.314) 1.955 ======================= Grid point 56 (33/272) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 5.701 7.562 1.628) 9.609 2.351 ( 1.775 -5.997 4.428) 7.663 3.157 ( -2.348 16.677 0.913) 16.867 3.605 ( -3.288 2.718 0.773) 4.336 3.661 ( -8.349 -3.785 1.299) 9.259 3.898 ( -6.432 -8.726 -2.194) 11.060 5.081 ( 0.089 0.385 -0.351) 0.528 5.099 ( -1.475 -0.845 0.931) 1.939 5.146 ( 3.685 13.672 -1.533) 14.243 5.246 ( 0.696 7.762 0.300) 7.799 5.565 ( 1.384 0.624 -2.777) 3.165 5.599 ( 2.110 2.092 -0.233) 2.980 8.223 ( 4.644 2.335 -0.582) 5.231 8.460 ( 8.130 -9.113 -0.786) 12.238 9.076 ( -14.162 8.623 -1.749) 16.672 9.396 ( -10.401 -7.546 -1.226) 12.908 10.302 ( 3.021 9.511 -0.195) 9.981 10.684 ( 5.218 -9.121 -2.005) 10.698 11.263 ( 1.655 3.538 0.642) 3.958 11.535 ( 3.552 -7.142 0.541) 7.994 11.827 ( -13.346 11.768 1.601) 17.866 12.395 ( -11.156 -13.505 1.232) 17.560 13.415 ( 10.546 5.799 0.352) 12.040 13.569 ( 5.919 -2.090 -0.349) 6.287 18.494 ( 4.488 17.362 -3.426) 18.256 19.174 ( 8.135 -14.628 1.358) 16.793 20.507 ( -10.738 1.815 2.195) 11.109 20.657 ( -15.357 -4.450 -0.511) 15.997 22.929 ( -4.229 8.583 -0.304) 9.573 23.286 ( -4.601 -7.944 0.229) 9.183 25.335 ( 10.437 9.252 -0.770) 13.969 25.488 ( 13.098 2.345 -0.080) 13.306 105.194 ( 0.130 0.372 0.115) 0.411 105.205 ( 0.227 -0.094 0.390) 0.461 105.816 ( -0.230 -1.260 0.144) 1.289 105.834 ( 0.226 -2.085 -0.239) 2.110 ======================= Grid point 57 (34/272) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 3.167 8.018 0.896) 8.668 2.407 ( 1.452 -2.598 3.286) 4.434 3.152 ( 1.647 11.549 0.395) 11.673 3.461 ( -9.218 -3.094 1.367) 9.819 3.589 ( -0.748 1.805 1.129) 2.256 3.760 ( -5.395 -6.585 -2.365) 8.835 5.080 ( 0.043 1.370 -0.346) 1.414 5.087 ( -0.105 0.667 0.214) 0.708 5.200 ( 2.044 9.710 -0.778) 9.954 5.257 ( 0.255 8.435 0.007) 8.439 5.570 ( 0.423 0.295 -1.600) 1.681 5.634 ( 1.298 1.733 -0.049) 2.166 8.326 ( 5.200 5.160 -0.575) 7.348 8.599 ( 4.845 -8.075 -0.108) 9.418 8.826 ( -8.979 8.890 -0.773) 12.659 9.240 ( -4.253 -11.584 -1.047) 12.384 10.350 ( 2.479 9.541 -0.835) 9.893 10.628 ( -6.957 -3.241 -2.047) 7.943 11.351 ( 4.617 -0.072 0.914) 4.707 11.554 ( -2.860 7.359 0.116) 7.896 11.717 ( 2.551 -6.565 1.827) 7.277 12.180 ( -9.916 -13.647 0.684) 16.883 13.586 ( 5.861 4.266 0.215) 7.252 13.660 ( 3.065 0.616 -0.185) 3.131 18.563 ( 3.602 21.072 -2.709) 21.549 19.344 ( 7.067 -14.659 1.029) 16.306 20.320 ( -7.866 -0.880 1.925) 8.146 20.371 ( -11.239 -3.238 -0.453) 11.705 22.856 ( -2.549 7.747 -0.158) 8.157 23.203 ( -3.248 -8.530 0.018) 9.127 25.515 ( 6.853 10.960 -0.470) 12.934 25.713 ( 8.244 1.895 -0.090) 8.459 105.197 ( 0.107 0.397 0.099) 0.423 105.210 ( 0.140 -0.173 0.259) 0.342 105.813 ( -0.122 -1.105 0.056) 1.114 105.836 ( 0.120 -2.203 -0.125) 2.210 ======================= Grid point 58 (35/272) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.000 8.667 0.000) 8.667 2.434 ( 0.000 -1.295 0.000) 1.295 3.197 ( 0.000 7.592 0.000) 7.592 3.340 ( 0.000 0.267 0.000) 0.267 3.594 ( 0.000 -1.216 0.000) 1.216 3.685 ( 0.000 -4.609 0.000) 4.609 5.083 ( -0.000 1.774 -0.000) 1.774 5.085 ( 0.000 1.384 0.000) 1.384 5.219 ( -0.000 7.409 0.000) 7.409 5.258 ( 0.000 8.982 -0.000) 8.982 5.569 ( 0.000 0.390 0.000) 0.390 5.648 ( 0.000 1.583 0.000) 1.583 8.389 ( -0.000 6.000 -0.000) 6.000 8.635 ( 0.000 -3.751 0.000) 3.751 8.736 ( 0.000 6.017 -0.000) 6.017 9.199 ( 0.000 -13.658 0.000) 13.658 10.394 ( 0.000 8.510 0.000) 8.510 10.510 ( 0.000 0.660 0.000) 0.660 11.406 ( 0.000 -1.953 -0.000) 1.953 11.512 ( 0.000 11.574 0.000) 11.574 11.794 ( 0.000 -15.463 0.000) 15.463 12.052 ( 0.000 -10.715 -0.000) 10.715 13.648 ( 0.000 3.309 0.000) 3.309 13.690 ( 0.000 1.983 0.000) 1.983 18.595 ( 0.000 22.823 0.000) 22.823 19.429 ( 0.000 -14.733 0.000) 14.733 20.240 ( 0.000 -2.108 0.000) 2.108 20.246 ( 0.000 -2.889 -0.000) 2.889 22.829 ( 0.000 7.383 0.000) 7.383 23.168 ( 0.000 -8.627 0.000) 8.627 25.587 ( 0.000 11.567 -0.000) 11.567 25.800 ( 0.000 1.769 0.000) 1.769 105.199 ( 0.000 0.402 -0.000) 0.402 105.213 ( 0.000 -0.201 0.000) 0.201 105.812 ( 0.000 -1.047 0.000) 1.047 105.837 ( 0.000 -2.244 0.000) 2.244 ======================= Grid point 63 (36/272) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 0.000 -8.951 0.000) 8.951 2.077 ( 0.000 8.951 0.000) 8.951 3.612 ( 0.000 -15.603 0.000) 15.603 3.612 ( 0.000 15.603 0.000) 15.603 3.871 ( 0.000 -9.339 0.000) 9.339 3.871 ( 0.000 9.339 0.000) 9.339 5.101 ( 0.000 -1.070 0.000) 1.070 5.101 ( 0.000 1.070 0.000) 1.070 5.258 ( 0.000 -3.442 0.000) 3.442 5.258 ( 0.000 3.442 0.000) 3.442 5.556 ( 0.000 -0.140 0.000) 0.140 5.556 ( 0.000 0.140 0.000) 0.140 8.140 ( 0.000 -2.426 0.000) 2.426 8.140 ( 0.000 2.426 0.000) 2.426 9.760 ( 0.000 -10.436 0.000) 10.436 9.760 ( 0.000 10.436 0.000) 10.436 10.169 ( 0.000 -2.073 0.000) 2.073 10.169 ( 0.000 2.073 0.000) 2.073 11.335 ( 0.000 -0.505 0.000) 0.505 11.335 ( 0.000 0.505 0.000) 0.505 12.540 ( 0.000 -3.392 0.000) 3.392 12.540 ( 0.000 3.392 0.000) 3.392 13.189 ( 0.000 -7.741 0.000) 7.741 13.189 ( 0.000 7.741 0.000) 7.741 18.681 ( 0.000 -14.025 0.000) 14.025 18.681 ( 0.000 14.025 0.000) 14.025 20.908 ( 0.000 -7.638 0.000) 7.638 20.908 ( 0.000 7.638 0.000) 7.638 23.253 ( 0.000 -8.910 0.000) 8.910 23.253 ( 0.000 8.910 0.000) 8.910 25.131 ( 0.000 -1.150 0.000) 1.150 25.131 ( 0.000 1.150 0.000) 1.150 105.195 ( 0.000 -0.057 0.000) 0.057 105.195 ( 0.000 0.057 0.000) 0.057 105.808 ( 0.000 -0.021 0.000) 0.021 105.808 ( 0.000 0.021 0.000) 0.021 ======================= Grid point 65 (37/272) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 3.251 -8.246 2.677) 9.259 2.120 ( 3.251 8.246 2.677) 9.259 3.565 ( -4.686 -14.783 1.354) 15.567 3.565 ( -4.686 14.783 1.354) 15.567 3.832 ( -3.230 -8.441 -1.226) 9.121 3.832 ( -3.230 8.441 -1.226) 9.121 5.094 ( -0.759 -0.991 0.711) 1.436 5.094 ( -0.759 0.991 0.711) 1.436 5.277 ( 1.813 -3.196 -0.720) 3.745 5.277 ( 1.813 3.196 -0.720) 3.745 5.569 ( 1.447 -0.753 -1.410) 2.156 5.569 ( 1.447 0.753 -1.410) 2.156 8.186 ( 4.546 -3.858 -0.647) 5.997 8.186 ( 4.546 3.858 -0.647) 5.997 9.547 ( -14.929 -7.120 -1.522) 16.610 9.547 ( -14.929 7.120 -1.522) 16.610 10.333 ( 10.437 -5.241 0.397) 11.685 10.333 ( 10.437 5.241 0.397) 11.685 11.342 ( 0.837 -4.195 -0.110) 4.279 11.342 ( 0.837 4.195 -0.110) 4.279 12.381 ( -13.096 -10.862 0.910) 17.039 12.381 ( -13.096 10.862 0.910) 17.039 13.316 ( 9.788 -6.423 -0.017) 11.707 13.316 ( 9.788 6.423 -0.017) 11.707 18.727 ( 4.561 -14.958 -0.558) 15.648 18.727 ( 4.561 14.958 -0.558) 15.648 20.807 ( -9.378 -6.590 0.281) 11.465 20.807 ( -9.378 6.590 0.281) 11.465 23.207 ( -4.054 -9.123 0.083) 9.984 23.207 ( -4.054 9.123 0.083) 9.984 25.237 ( 9.703 -2.329 -0.172) 9.980 25.237 ( 9.703 2.329 -0.172) 9.980 105.197 ( 0.111 -0.169 0.198) 0.283 105.197 ( 0.111 0.169 0.198) 0.283 105.808 ( 0.007 -0.252 -0.039) 0.255 105.808 ( 0.007 0.252 -0.039) 0.255 ======================= Grid point 67 (38/272) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 4.406 -6.733 3.846) 8.919 2.221 ( 4.406 6.733 3.846) 8.919 3.457 ( -6.175 -12.361 1.542) 13.903 3.457 ( -6.175 12.361 1.542) 13.903 3.740 ( -4.640 -6.552 -1.472) 8.163 3.740 ( -4.640 6.552 -1.472) 8.163 5.086 ( -0.271 -0.378 0.691) 0.833 5.086 ( -0.271 0.378 0.691) 0.833 5.310 ( 1.589 -2.341 -1.175) 3.064 5.310 ( 1.589 2.341 -1.175) 3.064 5.593 ( 1.589 -1.888 -1.529) 2.903 5.593 ( 1.589 1.888 -1.529) 2.903 8.307 ( 7.290 -5.968 -0.792) 9.454 8.307 ( 7.290 5.968 -0.792) 9.454 9.242 ( -13.292 -7.841 -1.351) 15.492 9.242 ( -13.292 7.841 -1.351) 15.492 10.494 ( 4.825 -9.508 -1.160) 10.725 10.494 ( 4.825 9.508 -1.160) 10.725 11.374 ( 2.352 -7.281 0.445) 7.665 11.374 ( 2.352 7.281 0.445) 7.665 12.108 ( -13.067 -14.607 1.378) 19.647 12.108 ( -13.067 14.607 1.378) 19.647 13.511 ( 8.617 -3.774 0.050) 9.407 13.511 ( 8.617 3.774 0.050) 9.407 18.847 ( 7.197 -17.312 -0.991) 18.774 18.847 ( 7.197 17.312 -0.991) 18.774 20.568 ( -13.230 -4.047 0.649) 13.850 20.568 ( -13.230 4.047 0.649) 13.850 23.112 ( -4.897 -9.173 0.055) 10.399 23.112 ( -4.897 9.173 0.055) 10.399 25.471 ( 12.081 -3.974 -0.222) 12.719 25.471 ( 12.081 3.974 -0.222) 12.719 105.201 ( 0.155 -0.287 0.279) 0.429 105.201 ( 0.155 0.287 0.279) 0.429 105.808 ( 0.011 -0.464 -0.055) 0.467 105.808 ( 0.011 0.464 -0.055) 0.467 ======================= Grid point 69 (39/272) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 3.016 -5.768 2.813) 7.090 2.319 ( 3.016 5.768 2.813) 7.090 3.355 ( -4.035 -7.875 0.875) 8.891 3.355 ( -4.035 7.875 0.875) 8.891 3.646 ( -3.456 -4.199 -0.966) 5.523 3.646 ( -3.456 4.199 -0.966) 5.523 5.091 ( 0.350 -0.113 0.351) 0.508 5.091 ( 0.350 0.113 0.351) 0.508 5.323 ( 0.338 -2.015 -0.898) 2.232 5.323 ( 0.338 2.015 -0.898) 2.232 5.613 ( 1.000 -3.022 -0.866) 3.299 5.613 ( 1.000 3.022 -0.866) 3.299 8.447 ( 6.025 -6.828 -0.399) 9.115 8.447 ( 6.025 6.828 -0.399) 9.115 9.020 ( -7.543 -10.249 -0.825) 12.752 9.020 ( -7.543 10.249 -0.825) 12.752 10.521 ( -0.519 -7.154 -1.662) 7.362 10.521 ( -0.519 7.154 -1.662) 7.362 11.438 ( 3.191 -8.238 0.857) 8.876 11.438 ( 3.191 8.238 0.857) 8.876 11.896 ( -8.021 -14.135 0.950) 16.281 11.896 ( -8.021 14.135 0.950) 16.281 13.649 ( 4.658 -1.850 0.053) 5.012 13.649 ( 4.658 1.850 0.053) 5.012 18.984 ( 6.026 -20.100 -0.937) 21.005 18.984 ( 6.026 20.100 -0.937) 21.005 20.326 ( -9.821 -1.361 0.728) 9.941 20.326 ( -9.821 1.361 0.728) 9.941 23.027 ( -3.153 -8.826 0.003) 9.372 23.027 ( -3.153 8.826 0.003) 9.372 25.680 ( 7.743 -5.094 -0.148) 9.270 25.680 ( 7.743 5.094 -0.148) 9.270 105.205 ( 0.107 -0.354 0.196) 0.419 105.205 ( 0.107 0.354 0.196) 0.419 105.808 ( 0.009 -0.604 -0.039) 0.606 105.808 ( 0.009 0.604 -0.039) 0.606 ======================= Grid point 71 (40/272) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.000 -5.699 0.000) 5.699 2.360 ( 0.000 5.699 0.000) 5.699 3.315 ( 0.000 -3.427 -0.000) 3.427 3.315 ( 0.000 3.427 -0.000) 3.427 3.606 ( 0.000 -2.594 0.000) 2.594 3.606 ( 0.000 2.594 0.000) 2.594 5.097 ( 0.000 -0.102 0.000) 0.102 5.097 ( 0.000 0.102 0.000) 0.102 5.322 ( 0.000 -1.977 0.000) 1.977 5.322 ( 0.000 1.977 0.000) 1.977 5.621 ( 0.000 -3.455 0.000) 3.455 5.621 ( 0.000 3.455 0.000) 3.455 8.513 ( -0.000 -6.312 0.000) 6.312 8.513 ( 0.000 6.312 0.000) 6.312 8.939 ( 0.000 -11.904 -0.000) 11.904 8.939 ( 0.000 11.904 0.000) 11.904 10.502 ( 0.000 -2.243 0.000) 2.243 10.502 ( 0.000 2.243 0.000) 2.243 11.482 ( 0.000 -8.960 -0.000) 8.960 11.482 ( 0.000 8.960 0.000) 8.960 11.812 ( 0.000 -12.308 0.000) 12.308 11.812 ( 0.000 12.308 -0.000) 12.308 13.697 ( 0.000 -1.259 0.000) 1.259 13.697 ( 0.000 1.259 0.000) 1.259 19.049 ( 0.000 -21.581 0.000) 21.581 19.049 ( 0.000 21.581 0.000) 21.581 20.221 ( 0.000 -0.046 0.000) 0.046 20.221 ( 0.000 0.046 0.000) 0.046 22.993 ( 0.000 -8.599 0.000) 8.599 22.993 ( 0.000 8.599 0.000) 8.599 25.761 ( 0.000 -5.476 -0.000) 5.476 25.761 ( 0.000 5.476 0.000) 5.476 105.207 ( 0.000 -0.374 0.000) 0.374 105.207 ( 0.000 0.374 -0.000) 0.374 105.808 ( 0.000 -0.653 0.000) 0.653 105.808 ( 0.000 0.653 0.000) 0.653 ======================= Grid point 135 (41/272) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( -0.029 0.000 17.260) 17.260 0.388 ( 2.233 0.000 18.746) 18.879 0.821 ( -3.612 0.000 39.381) 39.546 3.081 ( 1.003 0.000 -2.839) 3.011 3.118 ( -2.010 0.000 -1.583) 2.559 3.391 ( 23.538 0.000 -0.880) 23.554 3.632 ( -2.605 0.000 1.456) 2.985 4.076 ( 1.736 0.000 -1.556) 2.331 4.337 ( 2.354 0.000 -1.287) 2.683 4.898 ( 1.030 0.000 2.095) 2.334 5.936 ( 1.908 0.000 0.135) 1.913 7.149 ( -38.459 0.000 -6.132) 38.945 8.119 ( -0.418 0.000 -0.166) 0.450 8.767 ( 15.004 0.000 -0.756) 15.023 9.393 ( 0.686 0.000 0.991) 1.205 9.417 ( 1.445 0.000 -0.474) 1.521 9.655 ( -0.362 0.000 -0.117) 0.380 10.677 ( 0.172 0.000 -0.062) 0.183 10.684 ( 2.705 0.000 1.672) 3.180 11.412 ( -2.172 0.000 -0.006) 2.172 12.246 ( 10.697 0.000 1.277) 10.772 12.539 ( 0.380 0.000 -0.397) 0.550 13.197 ( 0.056 0.000 0.196) 0.203 14.497 ( -10.175 0.000 -1.364) 10.266 16.364 ( 0.715 0.000 3.344) 3.420 17.401 ( -1.433 0.000 -2.536) 2.913 21.643 ( 0.704 0.000 -1.569) 1.719 21.667 ( -0.941 0.000 -1.474) 1.748 21.818 ( 10.937 0.000 3.161) 11.385 22.018 ( 0.188 0.000 2.744) 2.750 24.361 ( -1.769 0.000 -1.001) 2.033 24.738 ( 0.140 0.000 2.133) 2.137 105.196 ( 0.418 0.000 0.581) 0.716 105.312 ( -11.613 0.000 -0.065) 11.614 106.185 ( -0.624 0.000 1.051) 1.222 107.015 ( -3.100 0.000 -0.851) 3.215 ======================= Grid point 136 (42/272) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 23.779 0.000 11.338) 26.344 0.942 ( 24.254 0.000 14.931) 28.482 1.053 ( 13.104 0.000 24.968) 28.198 3.023 ( -5.385 0.000 -1.673) 5.639 3.035 ( -4.252 0.000 -2.269) 4.820 3.607 ( 0.150 0.000 -0.829) 0.843 3.791 ( 13.192 0.000 -16.274) 20.950 4.087 ( -0.208 0.000 -0.346) 0.404 4.384 ( 3.459 0.000 -1.346) 3.711 4.866 ( -5.892 0.000 3.925) 7.080 5.918 ( -10.075 0.000 4.322) 10.963 6.019 ( -30.361 0.000 22.565) 37.828 8.112 ( -0.129 0.000 -0.405) 0.425 9.271 ( 1.829 0.000 -6.244) 6.507 9.308 ( -7.899 0.000 1.325) 8.009 9.692 ( 27.623 0.000 -11.035) 29.745 9.706 ( 3.935 0.000 -0.166) 3.938 10.704 ( 2.283 0.000 0.002) 2.283 11.019 ( 18.364 0.000 -12.491) 22.209 11.246 ( -11.194 0.000 2.177) 11.403 12.409 ( 6.143 0.000 -4.815) 7.805 12.551 ( 0.395 0.000 0.541) 0.669 13.207 ( 1.533 0.000 -0.320) 1.566 14.188 ( -13.306 0.000 9.397) 16.289 16.421 ( 2.735 0.000 4.487) 5.255 17.323 ( -4.246 0.000 -3.893) 5.761 21.661 ( 1.779 0.000 -1.478) 2.312 21.772 ( 8.594 0.000 -0.512) 8.610 22.029 ( -0.740 0.000 3.156) 3.241 22.639 ( 46.140 0.000 -36.821) 59.031 24.279 ( -5.462 0.000 1.880) 5.776 24.706 ( -4.348 0.000 2.410) 4.971 105.158 ( -3.478 0.000 2.123) 4.075 105.215 ( 0.377 0.000 1.467) 1.514 106.174 ( -0.720 0.000 0.710) 1.012 106.673 ( -19.280 0.000 14.056) 23.860 ======================= Grid point 137 (43/272) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 5.605 0.000 26.416) 27.004 1.365 ( 24.832 0.000 7.204) 25.856 1.591 ( 19.441 0.000 -0.788) 19.457 2.879 ( -10.137 0.000 -1.406) 10.234 2.972 ( 4.088 0.000 0.044) 4.088 3.630 ( 3.057 0.000 -3.024) 4.300 3.833 ( 0.713 0.000 -8.035) 8.066 4.065 ( -2.030 0.000 0.714) 2.152 4.441 ( 2.791 0.000 -4.438) 5.243 4.705 ( -12.454 0.000 5.995) 13.822 5.635 ( -10.731 0.000 8.270) 13.548 5.930 ( -1.708 0.000 2.535) 3.057 8.111 ( 0.320 0.000 -0.302) 0.440 9.140 ( -8.623 0.000 1.154) 8.700 9.222 ( -2.378 0.000 -1.560) 2.844 9.776 ( 2.740 0.000 -0.110) 2.742 10.096 ( 16.985 0.000 -6.110) 18.051 10.759 ( 2.850 0.000 -0.073) 2.851 10.902 ( -12.087 0.000 1.067) 12.134 11.325 ( 7.068 0.000 -3.127) 7.728 12.464 ( 3.220 0.000 -5.094) 6.027 12.553 ( -0.826 0.000 0.267) 0.868 13.277 ( 6.102 0.000 -2.696) 6.671 14.044 ( -6.652 0.000 5.197) 8.441 16.516 ( 3.818 0.000 4.505) 5.905 17.199 ( -5.430 0.000 -3.729) 6.587 21.694 ( 2.281 0.000 -1.823) 2.920 21.995 ( 12.607 0.000 0.142) 12.608 22.021 ( -1.706 0.000 2.998) 3.449 23.101 ( 20.536 0.000 -27.789) 34.554 24.188 ( -4.191 0.000 2.206) 4.736 24.599 ( -7.106 0.000 2.232) 7.448 105.137 ( 0.140 0.000 -0.360) 0.386 105.236 ( 0.496 0.000 2.486) 2.535 106.164 ( -0.636 0.000 0.447) 0.777 106.457 ( -10.007 0.000 10.719) 14.664 ======================= Grid point 138 (44/272) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.843 0.000 13.244) 13.270 1.756 ( 2.042 0.000 2.648) 3.344 1.880 ( 22.393 0.000 4.759) 22.893 2.609 ( -15.747 0.000 -0.991) 15.778 3.249 ( 20.226 0.000 1.714) 20.299 3.693 ( 4.907 0.000 -4.174) 6.443 3.795 ( -0.554 0.000 -4.125) 4.162 4.014 ( -3.495 0.000 1.513) 3.808 4.377 ( -13.261 0.000 -1.469) 13.342 4.491 ( -4.537 0.000 1.483) 4.773 5.506 ( -5.488 0.000 0.682) 5.530 5.928 ( 0.503 0.000 1.360) 1.450 8.122 ( 0.709 0.000 0.206) 0.738 8.992 ( -5.889 0.000 0.566) 5.917 9.179 ( -1.246 0.000 -0.201) 1.262 9.816 ( 1.277 0.000 -0.100) 1.281 10.275 ( 2.802 0.000 -3.428) 4.428 10.801 ( 1.831 0.000 2.410) 3.027 10.807 ( 1.805 0.000 -0.248) 1.822 11.351 ( -2.895 0.000 0.828) 3.011 12.511 ( 1.065 0.000 -2.871) 3.062 12.530 ( 1.800 0.000 -1.893) 2.612 13.413 ( 8.812 0.000 -3.926) 9.648 13.934 ( -6.812 0.000 2.863) 7.389 16.602 ( 1.995 0.000 2.175) 2.951 17.091 ( -2.972 0.000 -0.938) 3.117 21.728 ( 2.022 0.000 -2.427) 3.159 21.995 ( -2.231 0.000 2.401) 3.278 22.233 ( 9.439 0.000 -0.598) 9.458 23.282 ( 10.758 0.000 -14.522) 18.073 24.143 ( -1.187 0.000 1.369) 1.812 24.462 ( -6.668 0.000 1.252) 6.784 105.144 ( 0.844 0.000 -1.054) 1.350 105.262 ( 0.368 0.000 3.841) 3.859 106.151 ( -0.978 0.000 0.547) 1.121 106.353 ( -5.257 0.000 6.559) 8.406 ======================= Grid point 139 (45/272) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -13.646 0.000 -0.048) 13.646 1.922 ( 7.559 0.000 12.989) 15.029 2.231 ( -20.748 0.000 -0.810) 20.763 2.318 ( 18.351 0.000 2.873) 18.575 3.574 ( 0.368 0.000 1.669) 1.709 3.777 ( 5.495 0.000 -4.166) 6.896 3.848 ( 11.932 0.000 0.242) 11.935 3.943 ( -4.267 0.000 1.809) 4.635 4.014 ( -15.686 0.000 -2.713) 15.919 4.460 ( 0.447 0.000 -4.108) 4.132 5.412 ( -2.951 0.000 -2.424) 3.818 5.961 ( 1.775 0.000 1.656) 2.427 8.138 ( 0.459 0.000 0.905) 1.015 8.922 ( -0.784 0.000 -0.238) 0.819 9.172 ( 0.413 0.000 0.518) 0.663 9.828 ( 0.064 0.000 -0.080) 0.103 10.272 ( 0.601 0.000 -1.302) 1.434 10.824 ( -0.048 0.000 -0.419) 0.421 10.842 ( -2.913 0.000 -0.644) 2.983 11.319 ( 1.858 0.000 2.967) 3.501 12.477 ( -0.727 0.000 -3.497) 3.572 12.593 ( 2.480 0.000 0.002) 2.480 13.579 ( 8.514 0.000 -2.322) 8.825 13.795 ( -7.349 0.000 0.491) 7.365 16.592 ( -3.044 0.000 -1.494) 3.391 17.100 ( 3.066 0.000 3.210) 4.439 21.743 ( 0.777 0.000 -2.896) 2.998 21.964 ( -1.635 0.000 1.667) 2.335 22.319 ( -0.877 0.000 -2.042) 2.222 23.430 ( 9.341 0.000 -5.299) 10.739 24.145 ( 0.238 0.000 1.225) 1.248 24.373 ( -1.476 0.000 -0.528) 1.567 105.156 ( 0.813 0.000 -0.943) 1.245 105.294 ( 0.294 0.000 5.403) 5.411 106.130 ( -1.283 0.000 0.538) 1.391 106.306 ( -2.466 0.000 4.208) 4.877 ======================= Grid point 140 (46/272) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -15.804 0.000 4.060) 16.317 1.759 ( -25.157 0.000 -0.225) 25.158 2.072 ( -2.938 0.000 11.016) 11.401 2.657 ( 13.861 0.000 1.044) 13.900 3.309 ( -19.453 0.000 4.256) 19.913 3.774 ( -3.626 0.000 -7.810) 8.610 3.838 ( -2.077 0.000 1.915) 2.825 3.891 ( 2.828 0.000 -3.578) 4.561 4.189 ( 12.987 0.000 -3.337) 13.409 4.479 ( 5.250 0.000 -4.055) 6.634 5.379 ( 1.289 0.000 -1.276) 1.814 6.012 ( 1.681 0.000 3.821) 4.175 8.146 ( -0.320 0.000 1.198) 1.240 8.963 ( 4.898 0.000 -0.632) 4.939 9.201 ( 2.114 0.000 0.644) 2.210 9.817 ( -1.141 0.000 -0.028) 1.141 10.287 ( -0.685 0.000 -2.539) 2.629 10.709 ( -4.671 0.000 -0.818) 4.742 10.801 ( -1.834 0.000 -0.482) 1.896 11.455 ( 7.761 0.000 3.730) 8.610 12.443 ( -0.814 0.000 -5.191) 5.254 12.610 ( -1.150 0.000 1.422) 1.829 13.569 ( -9.622 0.000 0.784) 9.653 13.797 ( 8.590 0.000 -2.040) 8.829 16.497 ( -4.593 0.000 -1.752) 4.916 17.214 ( 5.408 0.000 3.692) 6.548 21.725 ( -0.906 0.000 -2.857) 2.998 21.954 ( -0.102 0.000 1.115) 1.119 22.194 ( -9.319 0.000 -1.517) 9.442 23.567 ( 5.976 0.000 -7.005) 9.208 24.160 ( 0.837 0.000 1.960) 2.132 24.413 ( 5.416 0.000 -0.891) 5.488 105.166 ( 0.632 0.000 -0.636) 0.897 105.337 ( 0.680 0.000 7.325) 7.356 106.110 ( -0.860 0.000 0.377) 0.939 106.291 ( -1.380 0.000 4.152) 4.375 ======================= Grid point 141 (47/272) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -14.157 0.000 15.565) 21.040 1.218 ( -28.076 0.000 1.458) 28.114 1.773 ( -31.464 0.000 7.633) 32.377 2.893 ( 9.309 0.000 -0.718) 9.336 3.103 ( -2.391 0.000 5.267) 5.784 3.652 ( -3.803 0.000 -16.140) 16.582 3.766 ( -4.797 0.000 3.153) 5.740 3.966 ( 4.905 0.000 -3.940) 6.291 4.286 ( 2.023 0.000 -6.283) 6.601 4.647 ( 10.019 0.000 -1.217) 10.093 5.482 ( 8.581 0.000 5.279) 10.074 6.078 ( 1.775 0.000 9.928) 10.085 8.140 ( -0.703 0.000 0.867) 1.117 9.101 ( 8.504 0.000 -0.371) 8.512 9.265 ( 3.906 0.000 0.360) 3.923 9.780 ( -2.583 0.000 0.059) 2.584 10.113 ( -12.611 0.000 -6.026) 13.977 10.750 ( -2.716 0.000 -0.399) 2.746 10.790 ( 11.538 0.000 -2.166) 11.739 11.627 ( 6.584 0.000 2.874) 7.184 12.331 ( -8.747 0.000 -8.528) 12.216 12.578 ( -2.028 0.000 1.204) 2.358 13.361 ( -9.177 0.000 -1.645) 9.324 13.984 ( 9.372 0.000 4.011) 10.194 16.406 ( -3.517 0.000 -0.245) 3.526 17.334 ( 4.455 0.000 2.017) 4.890 21.685 ( -1.357 0.000 -2.488) 2.835 21.969 ( 0.786 0.000 1.230) 1.459 21.969 ( -11.272 0.000 -0.277) 11.276 23.520 ( -4.455 0.000 -25.258) 25.648 24.221 ( 3.648 0.000 3.701) 5.197 24.548 ( 7.135 0.000 0.385) 7.145 105.175 ( 0.504 0.000 -0.304) 0.589 105.409 ( 2.103 0.000 8.666) 8.918 106.110 ( 0.656 0.000 2.476) 2.561 106.299 ( -0.538 0.000 7.695) 7.714 ======================= Grid point 142 (48/272) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -11.464 0.000 26.074) 28.483 0.663 ( -27.353 0.000 6.847) 28.197 1.043 ( -40.010 0.000 13.303) 42.164 3.031 ( 5.185 0.000 -2.209) 5.636 3.147 ( 1.254 0.000 3.686) 3.894 3.384 ( -12.300 0.000 -17.777) 21.618 3.690 ( -4.139 0.000 2.729) 4.958 4.034 ( 3.544 0.000 -2.796) 4.514 4.296 ( 2.440 0.000 -3.567) 4.322 4.813 ( 6.291 0.000 0.421) 6.305 5.785 ( 14.548 0.000 4.017) 15.092 6.330 ( 22.558 0.000 32.792) 39.802 8.130 ( -0.623 0.000 0.305) 0.694 9.280 ( 8.342 0.000 0.198) 8.344 9.354 ( 4.318 0.000 -0.675) 4.370 9.713 ( -3.860 0.000 0.121) 3.862 9.727 ( -23.759 0.000 -20.071) 31.102 10.698 ( -1.997 0.000 -0.225) 2.009 10.982 ( 3.399 0.000 -15.362) 15.733 11.585 ( -15.877 0.000 -15.439) 22.146 12.076 ( -3.912 0.000 8.094) 8.990 12.551 ( -1.056 0.000 -0.173) 1.070 13.222 ( -3.436 0.000 -0.720) 3.511 14.269 ( 16.056 0.000 10.797) 19.349 16.358 ( -1.524 0.000 1.634) 2.234 17.405 ( 1.826 0.000 -0.334) 1.856 21.652 ( -0.559 0.000 -1.995) 2.072 21.772 ( -7.383 0.000 0.489) 7.399 21.994 ( 0.776 0.000 1.948) 2.097 22.888 ( -44.292 0.000 -57.671) 72.717 24.328 ( 4.476 0.000 1.284) 4.656 24.678 ( 4.606 0.000 1.481) 4.838 105.184 ( 0.482 0.000 0.075) 0.488 105.476 ( -0.751 0.000 -0.343) 0.825 106.171 ( 1.881 0.000 2.688) 3.281 106.491 ( 18.235 0.000 27.790) 33.239 ======================= Grid point 143 (49/272) ======================= q-point: ( 0.00 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -7.860 25.507 8.008) 27.866 0.769 ( -0.843 11.451 24.814) 27.342 1.191 ( 2.968 41.370 14.542) 43.952 3.080 ( -3.983 -1.140 -2.251) 4.715 3.242 ( 1.318 10.581 0.594) 10.679 3.331 ( 6.339 1.628 1.848) 6.800 4.167 ( 6.107 17.195 -12.115) 21.903 4.189 ( 1.147 17.431 -10.441) 20.351 4.330 ( 3.092 1.139 -2.693) 4.256 4.859 ( 0.387 -3.156 1.417) 3.481 5.884 ( 3.294 -7.032 1.919) 7.999 6.036 ( -16.753 -32.326 25.432) 44.412 8.749 ( -17.965 1.845 -2.546) 18.238 8.927 ( 16.271 6.266 -4.622) 18.039 9.451 ( 1.014 3.928 -0.854) 4.146 9.568 ( -1.450 -8.151 -0.073) 8.279 9.907 ( 3.720 30.661 -26.370) 40.612 10.431 ( 1.345 -12.303 0.623) 12.392 10.906 ( 1.333 10.566 0.981) 10.695 11.424 ( -0.209 1.487 -0.264) 1.525 12.071 ( 2.018 -5.782 8.995) 10.881 12.489 ( -1.252 -3.535 -1.400) 4.003 13.189 ( -0.078 -0.583 0.010) 0.589 14.073 ( -0.953 -12.795 6.797) 14.520 17.405 ( -3.196 6.020 -8.305) 10.744 18.521 ( 2.454 90.612 -78.662) 120.018 21.328 ( 5.614 -14.950 -4.367) 16.555 21.429 ( -2.831 -17.526 0.660) 17.765 22.103 ( -0.958 18.451 1.615) 18.546 22.389 ( 6.608 23.232 0.001) 24.154 24.310 ( -2.511 -2.162 2.989) 4.463 24.729 ( 0.046 -0.747 2.475) 2.586 105.194 ( 0.226 -0.222 0.650) 0.723 105.256 ( -7.641 -3.511 3.454) 9.091 106.150 ( 0.001 -3.141 0.925) 3.275 106.557 ( -1.182 -22.117 20.920) 30.466 ======================= Grid point 144 (50/272) ======================= q-point: ( 0.12 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 11.728 8.518 12.118) 18.893 1.024 ( 10.740 7.176 22.095) 25.594 1.546 ( 20.741 35.784 8.042) 42.135 2.979 ( -4.479 -1.109 -1.613) 4.888 3.216 ( -3.847 14.475 -0.920) 15.006 3.480 ( 6.206 -4.622 1.291) 7.845 4.107 ( -2.284 16.977 -12.862) 21.421 4.199 ( 0.790 11.016 -3.153) 11.486 4.392 ( 4.354 1.770 -3.942) 6.134 4.821 ( -5.419 -3.782 3.154) 7.323 5.742 ( -18.035 -14.912 17.690) 29.335 5.908 ( -0.988 -4.540 2.245) 5.160 8.309 ( -13.055 11.049 -2.449) 17.277 9.175 ( -1.379 -8.480 0.885) 8.636 9.377 ( -4.263 6.822 -1.960) 8.280 9.570 ( 5.485 -7.354 -1.144) 9.245 9.907 ( 8.223 8.682 -6.463) 13.593 10.683 ( 9.498 -0.216 -5.658) 11.058 11.093 ( 14.805 5.213 -5.719) 16.706 11.274 ( -10.570 2.530 1.514) 10.974 12.237 ( 8.416 -10.911 3.791) 14.292 12.473 ( 0.721 -3.076 -2.072) 3.778 13.200 ( 1.384 -0.707 -0.373) 1.599 14.054 ( -3.810 -7.862 5.828) 10.502 17.163 ( -14.202 21.296 -16.063) 30.220 17.771 ( -22.404 60.883 -11.241) 65.842 21.305 ( 1.684 -18.427 -0.434) 18.509 21.716 ( 10.660 -20.812 -6.408) 24.245 22.155 ( 4.478 18.545 2.104) 19.194 22.866 ( 32.817 15.763 -21.501) 42.282 24.256 ( -3.886 -0.894 2.635) 4.780 24.705 ( -3.638 0.032 2.619) 4.483 105.156 ( -2.592 -0.129 1.739) 3.124 105.215 ( 0.400 -0.031 1.457) 1.511 106.149 ( -0.349 -2.413 0.409) 2.472 106.506 ( -10.041 -12.244 14.968) 21.790 ======================= Grid point 145 (51/272) ======================= q-point: ( 0.25 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 10.902 -4.227 17.010) 20.641 1.412 ( 17.637 5.224 10.714) 21.287 1.950 ( 13.092 25.973 0.978) 29.102 2.946 ( 1.944 4.898 0.540) 5.298 3.095 ( -5.127 13.312 -0.187) 14.267 3.590 ( 4.884 -2.587 -1.300) 5.677 3.990 ( -3.153 12.556 -6.674) 14.565 4.174 ( -2.085 10.159 -0.795) 10.401 4.440 ( 2.463 0.341 -4.664) 5.286 4.672 ( -11.413 -2.893 4.712) 12.682 5.564 ( -7.375 -5.874 6.870) 11.665 5.894 ( -0.950 -3.418 1.674) 3.923 8.149 ( -3.571 3.160 -1.215) 4.921 9.036 ( -8.414 -8.903 1.227) 12.311 9.314 ( -2.547 7.810 -0.551) 8.233 9.665 ( 3.105 -8.887 -0.535) 9.429 10.117 ( 13.027 -0.573 -2.880) 13.354 10.709 ( -4.173 -1.122 -1.628) 4.618 11.008 ( -7.376 6.704 2.072) 10.181 11.399 ( 9.556 6.072 -3.043) 11.723 12.384 ( 5.156 -10.102 -1.347) 11.421 12.503 ( 3.449 1.073 -2.694) 4.506 13.252 ( 4.509 -2.177 -1.938) 5.369 13.992 ( -5.009 -4.688 4.055) 7.969 16.846 ( -8.392 20.803 -6.060) 23.236 17.493 ( -7.825 32.484 0.290) 33.415 21.372 ( 4.792 -20.368 -1.603) 20.985 21.800 ( 1.267 -17.859 -0.824) 17.923 22.292 ( 7.418 16.926 1.209) 18.519 23.253 ( 17.498 11.775 -21.002) 29.764 24.200 ( -2.457 1.869 1.979) 3.666 24.621 ( -5.641 2.371 2.179) 6.495 105.139 ( 0.131 0.242 -0.351) 0.446 105.235 ( 0.464 -0.067 2.441) 2.486 106.143 ( -0.467 -2.078 0.246) 2.144 106.391 ( -7.517 -5.851 9.932) 13.762 ======================= Grid point 146 (52/272) ======================= q-point: ( 0.38 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 3.568 -4.797 11.266) 12.754 1.749 ( 8.020 2.207 6.389) 10.488 2.137 ( 11.159 18.005 1.371) 21.227 2.786 ( -14.563 16.066 0.180) 21.685 3.310 ( 19.670 6.392 1.851) 20.765 3.669 ( 4.056 -1.395 -2.988) 5.227 3.921 ( -0.664 10.527 -3.856) 11.231 4.103 ( -5.034 7.777 -0.049) 9.264 4.397 ( -12.602 2.506 0.027) 12.848 4.462 ( -2.455 -2.199 -0.031) 3.296 5.471 ( -4.410 -3.097 0.781) 5.445 5.899 ( 0.816 -2.725 1.008) 3.018 8.110 ( -0.327 -0.783 -0.338) 0.914 8.900 ( -5.322 -8.325 0.819) 9.915 9.267 ( -1.666 7.846 -0.087) 8.021 9.698 ( 0.708 -9.765 -0.249) 9.794 10.310 ( 4.891 1.388 -2.395) 5.620 10.607 ( -1.195 -9.283 0.566) 9.377 10.941 ( -2.694 4.836 1.632) 5.771 11.489 ( 1.143 11.770 0.433) 11.834 12.442 ( 1.313 -7.754 -1.419) 7.991 12.577 ( 5.355 6.240 -3.360) 8.883 13.362 ( 7.537 -4.741 -3.224) 9.470 13.893 ( -6.522 -3.853 2.620) 8.015 16.734 ( -1.911 11.328 -1.063) 11.537 17.377 ( -4.008 27.181 0.405) 27.478 21.462 ( 4.833 -19.595 -2.547) 20.342 21.791 ( -1.813 -17.082 1.064) 17.211 22.432 ( 5.112 12.466 -0.195) 13.475 23.417 ( 9.161 10.374 -11.721) 18.136 24.186 ( 0.090 4.522 1.349) 4.720 24.516 ( -5.047 5.725 1.019) 7.700 105.146 ( 0.779 0.171 -0.985) 1.268 105.260 ( 0.279 -0.222 3.706) 3.723 106.131 ( -0.902 -1.956 0.435) 2.198 106.314 ( -4.382 -3.662 6.051) 8.320 ======================= Grid point 147 (53/272) ======================= q-point: (-0.50 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -10.740 0.781 2.629) 11.085 1.900 ( 3.207 0.209 10.086) 10.586 2.409 ( -3.169 12.334 2.088) 12.904 2.512 ( 3.708 18.681 1.302) 19.090 3.591 ( -1.168 1.914 0.018) 2.242 3.810 ( 14.421 2.602 -1.020) 14.690 3.895 ( -11.811 -1.690 -1.863) 12.076 3.943 ( 1.036 9.174 -0.839) 9.271 4.159 ( -5.768 10.389 -0.316) 11.887 4.454 ( 1.354 0.462 -3.564) 3.840 5.394 ( -2.433 -1.595 -1.935) 3.494 5.934 ( 1.713 -2.602 1.523) 3.468 8.119 ( 0.883 -1.548 0.686) 1.909 8.837 ( -0.936 -7.779 -0.017) 7.835 9.251 ( 0.115 7.316 0.159) 7.319 9.704 ( 0.146 -10.410 -0.083) 10.411 10.322 ( 0.364 3.837 -0.906) 3.960 10.645 ( 0.366 -13.501 -0.297) 13.510 10.875 ( -3.191 2.490 -0.329) 4.061 11.512 ( 1.472 14.785 2.065) 15.001 12.435 ( -0.570 -5.079 -2.353) 5.627 12.654 ( 2.544 6.728 -0.934) 7.253 13.507 ( 7.151 -6.774 -1.747) 10.004 13.763 ( -6.358 -2.966 0.231) 7.020 16.726 ( 1.055 12.023 0.592) 12.084 17.336 ( -0.262 22.657 0.295) 22.660 21.525 ( 2.373 -17.384 -2.788) 17.766 21.751 ( -2.369 -17.735 1.105) 17.927 22.469 ( -1.065 9.763 -1.789) 9.982 23.535 ( 6.903 7.580 -4.601) 11.238 24.209 ( 1.080 6.405 1.663) 6.705 24.448 ( -1.213 7.987 -0.556) 8.097 105.157 ( 0.764 0.085 -0.918) 1.197 105.287 ( 0.075 -0.593 5.102) 5.137 106.111 ( -1.191 -1.858 0.439) 2.250 106.277 ( -2.126 -2.825 3.934) 5.289 ======================= Grid point 148 (54/272) ======================= q-point: (-0.38 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -14.352 5.445 5.815) 16.415 1.792 ( -19.242 3.636 3.955) 19.978 2.263 ( -4.720 16.273 7.028) 18.344 2.801 ( 13.588 13.238 0.808) 18.988 3.336 ( -19.367 3.323 3.085) 19.891 3.645 ( -6.961 -5.950 -5.971) 10.932 3.958 ( 3.346 9.327 -1.600) 10.037 4.062 ( 2.868 8.488 -1.376) 9.065 4.220 ( 10.541 5.252 -3.199) 12.204 4.493 ( 5.480 2.007 -3.500) 6.805 5.370 ( 1.372 -0.873 -1.065) 1.944 5.979 ( 1.208 -3.119 3.633) 4.939 8.149 ( 1.537 0.283 1.257) 2.005 8.868 ( 4.241 -8.188 -0.438) 9.232 9.271 ( 1.729 6.245 0.033) 6.480 9.703 ( -0.374 -9.746 -0.037) 9.754 10.318 ( -3.749 1.470 -2.009) 4.500 10.584 ( -0.899 -8.295 0.096) 8.344 10.859 ( 1.396 3.646 -1.570) 4.208 11.575 ( 2.716 9.856 3.069) 10.674 12.394 ( -2.226 -5.235 -3.931) 6.914 12.658 ( -1.931 5.091 0.838) 5.509 13.508 ( -7.978 -5.899 1.604) 10.051 13.752 ( 6.773 -3.656 -2.914) 8.229 16.796 ( 6.165 24.228 1.388) 25.039 17.363 ( 2.579 16.197 -0.334) 16.405 21.513 ( -2.573 -16.694 -1.197) 16.933 21.725 ( -0.033 -17.674 -0.794) 17.692 22.386 ( -5.494 11.649 -1.582) 12.976 23.616 ( 2.682 3.151 -5.988) 7.278 24.241 ( 1.018 7.942 2.570) 8.410 24.473 ( 3.837 6.303 -0.803) 7.422 105.166 ( 0.600 0.009 -0.655) 0.888 105.320 ( 0.035 -1.481 6.672) 6.834 106.092 ( -0.775 -1.732 0.189) 1.907 106.265 ( -1.231 -2.519 3.967) 4.858 ======================= Grid point 149 (55/272) ======================= q-point: (-0.25 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -12.387 8.902 15.310) 21.612 1.336 ( -25.173 10.282 4.076) 27.496 2.022 ( -24.688 22.664 4.372) 33.798 3.026 ( 7.214 8.751 2.015) 11.519 3.118 ( -1.026 5.139 2.567) 5.836 3.468 ( -7.355 -7.049 -7.818) 12.841 4.013 ( 3.619 10.708 -1.873) 11.458 4.121 ( 4.549 11.878 -4.046) 13.347 4.316 ( 2.428 5.433 -6.897) 9.109 4.649 ( 9.249 0.386 -1.726) 9.416 5.461 ( 7.227 -1.899 4.271) 8.607 6.022 ( -0.165 -4.988 8.197) 9.597 8.209 ( 4.441 5.442 1.217) 7.128 8.998 ( 8.236 -8.638 -0.305) 11.939 9.320 ( 2.980 4.626 -0.232) 5.508 9.676 ( -2.649 -8.788 -0.107) 9.179 10.106 ( -11.877 -1.875 -3.807) 12.612 10.684 ( 6.335 -0.838 -1.812) 6.642 10.913 ( 6.289 6.594 -1.558) 9.245 11.609 ( -2.771 -1.441 2.162) 3.799 12.270 ( -8.060 -4.739 -4.964) 10.586 12.600 ( -3.691 2.464 1.073) 4.565 13.331 ( -8.022 -2.683 -0.370) 8.467 13.890 ( 6.462 -6.537 0.760) 9.223 17.059 ( 21.839 47.785 0.260) 52.539 17.419 ( 3.291 11.355 -2.280) 12.040 21.423 ( -5.365 -18.240 0.174) 19.014 21.732 ( 1.287 -15.493 -2.881) 15.811 22.258 ( -6.009 14.637 -0.117) 15.823 23.514 ( -8.496 -0.113 -18.233) 20.116 24.282 ( 1.219 6.029 3.429) 7.043 24.573 ( 5.467 2.669 0.505) 6.105 105.174 ( 0.487 -0.052 -0.344) 0.599 105.361 ( -0.129 -3.774 7.811) 8.676 106.089 ( 0.340 -1.945 1.369) 2.403 106.272 ( -0.682 -2.551 6.819) 7.313 ======================= Grid point 150 (56/272) ======================= q-point: (-0.12 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -7.592 10.559 24.465) 27.707 0.893 ( -19.245 18.458 7.937) 27.822 1.449 ( -28.896 35.371 4.936) 45.939 3.126 ( 1.547 -1.707 4.239) 4.825 3.204 ( 4.821 14.765 -1.895) 15.648 3.279 ( -5.194 -3.002 -5.164) 7.915 4.090 ( 5.771 14.103 -5.836) 16.318 4.185 ( 4.181 15.198 -7.203) 17.330 4.306 ( 1.542 4.880 -6.790) 8.503 4.795 ( 5.457 -1.403 -0.465) 5.654 5.700 ( 11.357 -7.667 7.505) 15.623 6.067 ( -2.364 -13.755 17.836) 22.648 8.400 ( 15.999 14.058 1.068) 21.325 9.133 ( 0.611 -9.297 -0.947) 9.365 9.387 ( 4.222 2.604 -0.944) 5.049 9.585 ( -4.464 -7.353 -1.020) 8.662 9.910 ( -1.873 5.997 -8.631) 10.675 10.700 ( -4.229 1.282 -5.426) 6.998 11.037 ( -0.889 4.161 -9.179) 10.118 11.414 ( -10.555 -8.393 0.548) 13.496 12.085 ( -6.581 1.273 3.662) 7.638 12.536 ( -2.793 -1.185 -0.217) 3.042 13.215 ( -2.984 -0.695 -0.386) 3.088 14.011 ( 3.629 -11.024 4.834) 12.572 17.448 ( 1.033 5.029 -2.217) 5.592 17.820 ( 60.011 83.121 -24.981) 105.520 21.319 ( -4.326 -19.213 -0.119) 19.694 21.714 ( -2.871 -15.149 -6.503) 16.734 22.158 ( -3.978 15.450 1.172) 15.997 22.941 ( -35.896 6.416 -30.331) 47.431 24.317 ( 0.034 0.772 3.418) 3.504 24.677 ( 3.697 0.082 1.778) 4.103 105.183 ( 0.470 -0.096 0.045) 0.482 105.370 ( -3.775 -7.148 5.077) 9.546 106.126 ( 1.572 -3.587 2.671) 4.740 106.356 ( 4.078 -7.699 18.070) 20.061 ======================= Grid point 151 (57/272) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -3.691 12.560 18.730) 22.852 1.262 ( -3.415 27.868 3.619) 28.309 2.093 ( 1.540 44.272 3.678) 44.451 3.045 ( -3.652 -2.115 -0.110) 4.222 3.289 ( 4.798 0.319 2.997) 5.666 3.639 ( 0.345 21.500 -1.369) 21.547 4.264 ( 2.737 -2.196 -0.181) 3.514 4.443 ( 1.908 15.498 -1.636) 15.701 4.593 ( 1.894 10.678 -9.608) 14.488 4.820 ( 0.840 1.937 -5.259) 5.667 5.585 ( -5.175 -12.396 11.617) 17.759 5.803 ( -2.120 -6.875 1.714) 7.396 8.772 ( -10.914 0.636 -1.677) 11.061 8.905 ( 8.999 -4.932 0.108) 10.263 9.335 ( -0.286 -13.168 -0.095) 13.171 9.568 ( 0.715 6.827 0.575) 6.888 10.214 ( 4.790 -8.549 0.246) 9.802 10.272 ( -2.573 8.951 -9.154) 13.059 11.108 ( 1.161 9.419 0.992) 9.542 11.477 ( 0.470 3.509 -0.395) 3.562 12.072 ( 1.130 3.670 1.377) 4.080 12.403 ( -2.468 -4.724 -1.817) 5.631 13.173 ( -0.139 -1.098 -0.124) 1.114 13.891 ( 1.132 -7.367 1.236) 7.555 17.535 ( -2.605 7.290 -5.778) 9.660 19.536 ( 3.037 21.729 -36.210) 42.339 21.038 ( 14.291 -13.745 -5.084) 20.470 21.186 ( -14.218 -5.606 -3.853) 15.762 22.419 ( 0.432 12.477 0.970) 12.522 22.847 ( 4.131 21.308 -0.048) 21.705 24.334 ( -2.860 4.725 1.054) 5.623 24.717 ( -0.145 -0.106 3.090) 3.095 105.187 ( -0.887 -0.406 1.180) 1.531 105.212 ( -2.411 -1.018 2.561) 3.662 106.075 ( 0.776 -4.003 0.255) 4.086 106.274 ( -1.352 -9.142 12.104) 15.229 ======================= Grid point 152 (58/272) ======================= q-point: ( 0.12 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.048 12.352 13.759) 18.490 1.315 ( 7.501 21.254 7.101) 23.631 2.294 ( 12.244 35.548 2.736) 37.697 2.981 ( -1.034 1.926 0.821) 2.335 3.424 ( 6.228 -0.416 2.708) 6.804 3.590 ( -4.574 20.476 -0.893) 21.000 4.284 ( -1.612 1.237 0.824) 2.193 4.454 ( -0.071 14.828 0.331) 14.832 4.552 ( -0.161 9.734 -11.043) 14.721 4.763 ( -4.105 0.939 -3.007) 5.174 5.501 ( -6.588 -9.137 9.078) 14.467 5.795 ( -0.058 -6.632 0.677) 6.667 8.457 ( -14.131 4.183 -2.638) 14.971 9.004 ( -5.052 -7.748 0.625) 9.271 9.330 ( 3.789 -12.448 -0.534) 13.023 9.568 ( -1.128 7.964 0.888) 8.092 9.963 ( -3.005 -1.833 -0.768) 3.603 10.724 ( 18.018 3.370 -5.763) 19.215 11.173 ( 6.271 2.766 1.304) 6.977 11.335 ( -10.487 3.183 0.686) 10.981 12.151 ( 3.706 0.663 1.230) 3.960 12.426 ( 6.425 -0.833 -3.900) 7.562 13.177 ( 0.577 -1.668 -0.363) 1.802 13.904 ( -0.892 -7.355 2.105) 7.702 17.395 ( -7.021 9.186 -10.058) 15.325 18.926 ( -32.619 43.400 -16.376) 56.707 20.994 ( -3.555 -11.709 -0.099) 12.237 21.305 ( 10.909 -18.417 -6.392) 22.340 22.469 ( 3.675 11.621 1.089) 12.237 23.168 ( 21.616 13.690 -7.812) 26.753 24.296 ( -1.120 5.423 0.268) 5.544 24.718 ( -1.218 1.620 2.835) 3.485 105.156 ( -1.439 0.208 1.052) 1.795 105.214 ( 0.436 -0.031 1.434) 1.499 106.085 ( 0.284 -3.696 -0.214) 3.713 106.285 ( -3.711 -9.342 10.693) 14.676 ======================= Grid point 153 (59/272) ======================= q-point: ( 0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 6.249 7.022 11.505) 14.857 1.588 ( 13.463 12.239 6.909) 19.462 2.444 ( 1.018 19.460 -0.420) 19.491 3.121 ( 14.201 14.438 3.027) 20.477 3.438 ( -9.378 16.900 0.261) 19.329 3.561 ( 5.617 1.840 0.352) 5.921 4.208 ( -5.158 6.062 -0.482) 7.974 4.432 ( -3.252 14.074 -1.534) 14.526 4.489 ( -0.935 4.028 -4.495) 6.108 4.637 ( -6.511 2.980 -0.715) 7.197 5.443 ( -3.034 -5.564 3.816) 7.398 5.802 ( 0.484 -5.519 0.583) 5.571 8.219 ( -7.952 3.413 -1.894) 8.859 8.836 ( -8.635 -9.737 0.961) 13.050 9.410 ( 2.143 -7.664 -0.149) 7.960 9.543 ( -1.396 5.739 0.313) 5.915 10.036 ( 8.481 -6.736 -0.747) 10.857 10.752 ( -9.226 4.841 -1.469) 10.522 11.108 ( -7.227 2.767 2.610) 8.167 11.496 ( 16.648 2.153 -1.086) 16.821 12.206 ( 2.065 -6.275 -0.723) 6.645 12.585 ( 10.069 6.993 -3.951) 12.880 13.193 ( 1.538 -3.733 -1.237) 4.222 13.873 ( -3.449 -6.717 2.338) 7.904 17.168 ( -8.535 13.340 -9.210) 18.320 18.349 ( -19.118 44.629 -0.884) 48.559 20.989 ( 2.763 -16.888 -2.006) 17.230 21.408 ( 2.258 -19.432 -1.509) 19.621 22.558 ( 3.951 8.671 0.598) 9.548 23.468 ( 12.172 8.336 -9.913) 17.774 24.297 ( 1.157 8.137 0.042) 8.219 24.709 ( -0.678 6.822 1.613) 7.043 105.146 ( 0.097 0.467 -0.299) 0.562 105.234 ( 0.383 -0.095 2.308) 2.342 106.085 ( -0.175 -3.472 -0.166) 3.480 106.253 ( -3.978 -7.287 7.539) 11.214 ======================= Grid point 154 (60/272) ======================= q-point: ( 0.38 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 5.174 3.434 9.620) 11.450 1.849 ( 6.939 7.500 5.493) 11.600 2.477 ( 5.986 14.147 0.820) 15.383 3.167 ( -14.187 18.950 1.379) 23.713 3.524 ( 18.615 14.713 1.894) 23.803 3.657 ( 4.064 0.940 -2.064) 4.654 4.091 ( -5.886 3.141 -2.312) 7.061 4.302 ( -8.827 11.064 0.167) 14.155 4.415 ( -4.361 1.974 -2.170) 5.256 4.558 ( -0.500 12.130 -0.293) 12.143 5.401 ( -2.355 -3.372 0.461) 4.138 5.826 ( 1.579 -4.366 0.400) 4.660 8.107 ( -2.563 0.723 -0.865) 2.800 8.705 ( -4.668 -9.735 0.910) 10.835 9.425 ( 0.451 -0.706 -0.156) 0.852 9.510 ( -2.095 -0.369 -0.150) 2.132 10.227 ( 9.472 -9.804 -1.210) 13.686 10.526 ( -9.869 1.508 -0.071) 9.984 11.003 ( -5.302 1.608 2.126) 5.934 11.745 ( 7.394 11.962 0.475) 14.071 12.248 ( 2.708 -10.548 -1.533) 10.998 12.753 ( 7.497 10.291 -2.788) 13.034 13.237 ( 4.133 -7.174 -2.202) 8.567 13.791 ( -5.569 -5.860 1.851) 8.294 17.007 ( -3.035 15.146 -3.253) 15.785 18.075 ( -9.153 38.789 -0.009) 39.854 21.060 ( 5.347 -19.243 -3.534) 20.282 21.406 ( -2.114 -19.634 1.444) 19.801 22.616 ( 1.566 5.184 -0.629) 5.452 23.587 ( 4.957 5.068 -5.875) 9.207 24.338 ( 2.423 10.659 1.057) 10.982 24.709 ( 0.078 13.326 -0.095) 13.326 105.151 ( 0.615 0.361 -0.816) 1.084 105.254 ( 0.080 -0.330 3.332) 3.350 106.076 ( -0.752 -3.399 0.186) 3.486 106.217 ( -2.640 -5.600 4.685) 7.764 ======================= Grid point 155 (61/272) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -5.436 7.188 6.549) 11.140 1.958 ( 1.524 5.392 7.572) 9.420 2.660 ( 2.835 11.276 3.238) 12.070 2.927 ( -2.477 19.324 0.644) 19.493 3.654 ( -1.905 3.762 -3.488) 5.473 3.874 ( -11.632 0.924 -0.897) 11.703 3.919 ( 13.556 8.474 -2.389) 16.164 4.148 ( -4.850 7.875 2.626) 9.614 4.357 ( 0.953 10.385 -4.459) 11.342 4.571 ( 1.328 12.145 0.316) 12.221 5.358 ( -1.355 -1.816 -1.416) 2.671 5.864 ( 1.578 -4.123 1.250) 4.588 8.095 ( 1.275 -0.483 0.344) 1.406 8.654 ( -0.692 -9.080 0.435) 9.117 9.438 ( -0.330 10.610 -0.581) 10.631 9.470 ( -0.128 -12.049 -0.264) 12.052 10.359 ( 1.413 -14.201 -0.716) 14.289 10.400 ( -0.555 3.523 -0.043) 3.567 10.919 ( -2.730 1.942 0.334) 3.367 11.822 ( 0.502 14.983 1.086) 15.031 12.277 ( 0.364 -10.114 -1.336) 10.208 12.833 ( 1.200 9.158 -1.169) 9.310 13.332 ( 5.004 -9.298 -1.006) 10.607 13.686 ( -4.224 -4.354 -0.144) 6.068 17.023 ( 4.872 16.549 2.594) 17.446 17.942 ( -3.315 34.992 -3.606) 35.334 21.147 ( 4.643 -19.009 -4.133) 19.999 21.351 ( -3.791 -20.255 2.586) 20.769 22.615 ( -0.842 4.176 -1.873) 4.653 23.636 ( 2.400 1.637 -2.717) 3.978 24.399 ( 2.254 12.072 2.815) 12.599 24.705 ( -0.241 16.802 -1.210) 16.847 105.160 ( 0.633 0.219 -0.840) 1.075 105.273 ( -0.343 -0.807 4.338) 4.426 106.059 ( -0.951 -3.255 0.201) 3.397 106.199 ( -1.358 -4.689 3.183) 5.828 ======================= Grid point 156 (62/272) ======================= q-point: (-0.38 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -10.457 12.848 8.073) 18.428 1.911 ( -12.251 8.023 6.504) 16.024 2.589 ( -3.161 12.791 5.757) 14.379 3.129 ( 12.689 17.575 -0.213) 21.678 3.485 ( -17.805 12.182 0.316) 21.577 3.554 ( -7.089 -2.940 -6.787) 10.245 4.106 ( 1.387 2.250 -2.202) 3.440 4.199 ( 9.251 9.452 -0.654) 13.241 4.409 ( 5.693 10.790 -2.154) 12.389 4.615 ( 3.440 10.892 -1.237) 11.489 5.347 ( 1.328 -1.322 -1.051) 2.149 5.897 ( 0.271 -4.782 3.154) 5.734 8.159 ( 4.704 0.808 1.287) 4.944 8.686 ( 3.845 -8.624 0.141) 9.443 9.406 ( -1.109 1.487 -0.987) 2.102 9.503 ( 1.951 -4.184 -0.431) 4.636 10.242 ( -9.524 -9.365 -0.688) 13.375 10.518 ( 9.509 2.383 -0.228) 9.805 10.922 ( 3.036 2.618 -1.019) 4.136 11.784 ( -5.678 9.614 1.811) 11.312 12.242 ( -2.596 -9.248 -2.052) 9.823 12.796 ( -4.053 7.382 -0.318) 8.428 13.354 ( -3.665 -8.321 1.834) 9.276 13.676 ( 4.276 -3.623 -2.946) 6.332 17.231 ( 12.354 17.613 7.265) 22.707 17.912 ( 4.715 35.394 -8.324) 36.664 21.159 ( -2.966 -17.406 -0.789) 17.674 21.326 ( 1.741 -20.372 -0.636) 20.456 22.570 ( -2.323 6.168 -2.073) 6.909 23.644 ( -0.631 -0.526 -3.471) 3.567 24.450 ( 0.743 11.878 3.840) 12.505 24.685 ( -0.869 14.645 -1.205) 14.720 105.167 ( 0.516 0.097 -0.674) 0.854 105.287 ( -0.880 -1.651 5.235) 5.560 106.043 ( -0.541 -3.021 -0.153) 3.072 106.195 ( -0.880 -4.336 3.366) 5.559 ======================= Grid point 157 (63/272) ======================= q-point: (-0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -9.536 15.679 12.390) 22.142 1.604 ( -17.919 15.980 5.600) 24.654 2.543 ( -9.218 23.495 3.248) 25.446 3.106 ( -8.909 6.900 3.512) 11.803 3.360 ( -3.049 0.437 -5.446) 6.256 3.451 ( 6.291 16.950 -1.857) 18.175 4.136 ( 3.319 0.464 -3.534) 4.870 4.327 ( 4.803 12.509 -1.999) 13.547 4.518 ( 4.806 9.186 -1.375) 10.458 4.701 ( 6.146 6.739 -4.126) 10.011 5.411 ( 4.656 -2.979 2.021) 5.885 5.903 ( -2.125 -6.316 5.556) 8.676 8.310 ( 9.590 3.764 1.807) 10.459 8.814 ( 8.465 -8.201 0.141) 11.787 9.381 ( -1.482 -4.632 -1.180) 5.004 9.527 ( 0.738 0.401 -0.492) 0.973 10.024 ( -9.461 -5.794 -1.425) 11.185 10.738 ( 10.240 5.583 -1.750) 11.794 11.021 ( 7.407 3.992 -0.827) 8.455 11.575 ( -15.995 -2.265 1.606) 16.234 12.171 ( -2.748 -4.904 -2.426) 6.122 12.678 ( -7.286 4.975 0.193) 8.824 13.261 ( -4.798 -4.105 0.705) 6.354 13.769 ( 5.080 -5.284 -1.748) 7.535 17.504 ( 7.073 10.372 5.837) 13.845 18.171 ( 30.467 44.250 -10.905) 54.820 21.058 ( -5.827 -17.237 0.708) 18.209 21.383 ( 3.777 -17.344 -2.889) 17.984 22.504 ( -3.148 9.274 -1.204) 9.868 23.525 ( -9.538 0.959 -8.319) 12.692 24.455 ( -2.535 10.654 3.409) 11.470 24.670 ( 0.060 7.345 0.220) 7.349 105.174 ( 0.443 0.012 -0.411) 0.604 105.290 ( -1.883 -2.876 5.684) 6.642 106.038 ( 0.182 -2.986 0.012) 2.992 106.201 ( -0.739 -4.395 5.162) 6.819 ======================= Grid point 158 (64/272) ======================= q-point: (-0.12 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -8.621 14.120 16.562) 23.409 1.348 ( -8.906 24.685 5.292) 26.770 2.249 ( -15.850 40.382 1.402) 43.404 3.077 ( -0.049 -2.234 4.356) 4.896 3.249 ( -2.100 -0.291 -3.184) 3.825 3.589 ( 5.362 21.936 -1.292) 22.619 4.198 ( 4.169 -1.785 -2.695) 5.276 4.396 ( 3.410 14.418 -2.024) 14.953 4.580 ( 3.250 10.637 -5.214) 12.284 4.791 ( 4.699 3.075 -5.331) 7.743 5.534 ( 4.149 -7.795 6.250) 10.819 5.865 ( -4.850 -7.954 6.262) 11.225 8.571 ( 14.567 3.438 1.906) 15.088 8.972 ( 2.826 -6.198 -0.658) 6.844 9.319 ( -1.882 -11.226 -0.843) 11.414 9.543 ( 1.330 5.421 -0.279) 5.589 9.936 ( 4.247 -1.827 -2.207) 5.123 10.749 ( -13.388 2.502 -5.052) 14.527 11.119 ( -2.834 4.064 -1.068) 5.068 11.352 ( 4.447 1.128 1.445) 4.810 12.104 ( -2.976 -0.149 -0.745) 3.071 12.520 ( -7.621 0.154 -0.093) 7.623 13.193 ( -2.031 -1.602 -0.075) 2.588 13.846 ( 2.997 -6.584 -0.117) 7.234 17.575 ( 0.410 7.630 -1.119) 7.722 18.990 ( 51.659 35.751 -19.617) 65.815 20.960 ( -2.756 -15.741 -0.972) 16.010 21.404 ( -1.599 -13.172 -4.874) 14.136 22.440 ( -2.489 11.594 0.081) 11.859 23.133 ( -22.000 11.228 -9.589) 26.496 24.397 ( -4.028 7.158 2.178) 8.498 24.692 ( 0.991 1.651 2.241) 2.955 105.181 ( 0.422 -0.048 -0.005) 0.425 105.265 ( -3.617 -3.296 4.908) 6.931 106.052 ( 0.957 -3.615 0.696) 3.804 106.227 ( -0.397 -5.814 8.966) 10.693 ======================= Grid point 159 (65/272) ======================= q-point: ( 0.00 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -2.893 14.451 9.813) 17.705 1.812 ( -2.014 26.510 1.726) 26.643 2.779 ( -1.326 10.973 1.034) 11.101 3.109 ( -1.540 17.054 -1.988) 17.239 3.351 ( 4.794 9.714 5.391) 12.100 4.072 ( -1.981 16.918 -3.689) 17.429 4.237 ( 5.074 3.355 2.762) 6.681 4.611 ( -0.512 -3.448 -0.011) 3.485 4.789 ( 0.127 16.723 -0.692) 16.738 4.992 ( 3.356 11.171 -9.423) 14.995 5.393 ( -3.282 -7.526 4.523) 9.374 5.654 ( -2.119 -7.662 1.383) 8.069 8.734 ( -12.232 -5.801 -1.753) 13.651 8.763 ( 11.345 -9.677 -0.834) 14.935 9.121 ( -1.591 -4.883 0.483) 5.158 9.724 ( 0.850 8.321 1.106) 8.437 10.089 ( 0.447 -3.857 0.317) 3.895 10.364 ( 0.487 1.079 -0.392) 1.247 11.277 ( 0.470 7.039 0.922) 7.114 11.543 ( -1.080 2.284 0.297) 2.543 12.162 ( 7.459 4.736 -2.187) 9.102 12.320 ( -5.775 -2.788 -1.809) 6.663 13.142 ( -0.228 -1.915 -0.146) 1.934 13.751 ( 0.853 -6.614 -0.215) 6.672 17.696 ( -2.424 8.594 -5.803) 10.649 19.689 ( 2.888 -2.651 -9.305) 10.098 20.806 ( 9.001 -8.971 -3.714) 13.240 21.170 ( -8.212 2.650 -5.122) 10.034 22.609 ( 0.096 6.867 -1.037) 6.945 23.221 ( 2.277 15.290 1.317) 15.515 24.491 ( -2.911 10.321 -1.102) 10.780 24.738 ( -0.025 2.437 2.982) 3.851 105.182 ( -1.189 0.021 1.214) 1.699 105.202 ( -0.287 -0.203 1.359) 1.403 105.995 ( 0.883 -3.844 -0.496) 3.976 106.119 ( -1.350 -6.790 6.219) 9.306 ======================= Grid point 160 (66/272) ======================= q-point: ( 0.12 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 1.244 13.558 7.494) 15.541 1.795 ( 0.665 24.913 1.976) 25.000 2.750 ( -3.073 5.390 1.087) 6.299 3.183 ( 9.534 17.240 -0.498) 19.707 3.500 ( 6.463 12.412 5.356) 14.984 3.971 ( -6.367 13.704 -1.847) 15.223 4.318 ( 0.598 5.610 2.866) 6.328 4.564 ( -3.407 -3.883 -0.521) 5.192 4.778 ( -0.940 15.616 -1.076) 15.681 4.956 ( -2.059 13.641 -8.232) 16.064 5.351 ( -2.011 -6.016 3.665) 7.326 5.649 ( 0.885 -7.590 0.242) 7.646 8.477 ( -11.350 -2.661 -1.942) 11.819 8.897 ( -5.197 -2.572 -0.703) 5.841 9.052 ( 3.496 -13.436 -0.705) 13.901 9.732 ( -0.663 7.288 1.319) 7.436 9.906 ( -6.227 -2.159 0.703) 6.628 10.764 ( 22.865 -0.306 -0.489) 22.872 11.235 ( -4.323 3.633 1.740) 5.909 11.393 ( -10.651 2.980 -0.186) 11.062 12.133 ( -2.457 -3.930 0.215) 4.640 12.493 ( 15.217 7.372 -3.806) 17.332 13.131 ( -0.877 -2.862 -0.364) 3.015 13.759 ( -0.241 -6.873 0.394) 6.888 17.584 ( -4.557 9.739 -8.880) 13.945 19.489 ( -15.594 13.334 -5.211) 21.170 20.850 ( -9.230 -3.817 4.123) 10.806 21.013 ( 3.947 -8.720 -9.736) 13.653 22.623 ( 1.632 4.387 -0.865) 4.760 23.404 ( 11.391 9.227 -0.235) 14.661 24.468 ( 1.392 10.931 -2.081) 11.214 24.786 ( 3.520 5.466 2.217) 6.868 105.164 ( -0.823 0.494 0.651) 1.160 105.214 ( 0.450 -0.007 1.395) 1.466 106.007 ( 0.538 -3.945 -0.690) 4.041 106.120 ( -1.930 -7.268 6.125) 9.699 ======================= Grid point 161 (67/272) ======================= q-point: ( 0.25 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 3.684 12.712 5.032) 14.160 1.893 ( 6.806 17.401 3.535) 19.016 2.679 ( -3.355 5.507 1.555) 6.633 3.428 ( 12.041 6.933 0.393) 13.900 3.650 ( 4.022 17.608 2.683) 18.259 3.810 ( -6.639 13.268 1.055) 14.874 4.263 ( -6.545 1.284 -0.355) 6.680 4.503 ( -2.422 2.129 0.189) 3.230 4.723 ( -3.488 13.391 -2.869) 14.132 4.873 ( -1.911 15.725 -2.347) 16.013 5.348 ( -0.112 -3.699 1.064) 3.851 5.683 ( 2.284 -5.910 -0.168) 6.338 8.267 ( -8.134 0.702 -1.497) 8.301 8.692 ( -9.738 -3.309 0.064) 10.285 9.171 ( 4.797 -13.181 -0.796) 14.049 9.718 ( -1.312 7.935 0.852) 8.088 9.888 ( 3.463 -6.433 -0.457) 7.320 10.871 ( -12.501 5.660 -0.172) 13.724 11.131 ( -6.351 0.820 2.318) 6.811 11.478 ( 19.872 -3.384 -0.083) 20.158 12.111 ( -0.501 -4.164 -0.396) 4.213 12.763 ( 11.982 9.152 -2.469) 15.278 13.106 ( -0.693 -4.286 -1.227) 4.512 13.739 ( -2.156 -6.101 0.774) 6.517 17.431 ( -4.981 13.152 -8.422) 16.392 19.122 ( -17.005 29.892 0.083) 34.391 20.716 ( -2.988 -9.498 -1.090) 10.017 21.049 ( 1.025 -15.767 -1.808) 15.903 22.650 ( 1.232 1.491 -0.999) 2.177 23.574 ( 5.082 2.147 -1.330) 5.675 24.516 ( 4.044 13.032 -1.277) 13.704 24.901 ( 6.530 11.808 0.314) 13.497 105.157 ( 0.038 0.635 -0.178) 0.661 105.232 ( 0.288 -0.100 2.089) 2.111 106.008 ( -0.079 -4.009 -0.469) 4.037 106.110 ( -1.861 -6.750 4.655) 8.408 ======================= Grid point 162 (68/272) ======================= q-point: ( 0.38 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 5.036 9.971 6.038) 12.698 2.041 ( 4.069 11.208 4.112) 12.613 2.692 ( 4.978 7.761 1.869) 9.408 3.430 ( -13.332 6.086 0.879) 14.681 3.691 ( 5.189 3.267 1.025) 6.217 3.897 ( 7.353 16.041 1.361) 17.698 4.105 ( -4.803 3.241 -4.463) 7.314 4.436 ( -5.394 8.219 1.610) 9.962 4.641 ( -1.655 14.149 -3.985) 14.793 4.852 ( -0.466 15.312 1.404) 15.383 5.345 ( -0.363 -1.867 -0.591) 1.992 5.732 ( 2.417 -4.704 -0.029) 5.289 8.139 ( -3.789 2.163 -0.677) 4.416 8.549 ( -4.443 -4.881 0.383) 6.611 9.223 ( 1.185 -11.640 -0.483) 11.710 9.691 ( -1.459 10.124 -0.058) 10.229 9.996 ( 6.237 -11.821 -1.288) 13.427 10.587 ( -11.943 3.292 0.341) 12.394 11.033 ( -4.636 2.316 2.028) 5.564 11.868 ( 15.502 -3.995 0.135) 16.009 12.097 ( -0.392 -0.684 -0.691) 1.048 12.887 ( 0.072 -2.340 0.405) 2.376 13.148 ( 6.943 3.029 -3.321) 8.271 13.678 ( -4.157 -4.835 0.766) 6.422 17.329 ( -0.913 16.648 -3.595) 17.056 18.832 ( -11.350 34.128 -0.727) 35.973 20.709 ( 3.152 -15.163 -3.800) 15.947 21.031 ( -2.690 -17.178 2.006) 17.503 22.657 ( 0.197 -0.143 -1.321) 1.344 23.614 ( 0.441 -1.873 -0.866) 2.110 24.604 ( 4.186 15.199 1.115) 15.804 25.024 ( 5.124 16.875 -1.135) 17.672 105.160 ( 0.408 0.532 -0.598) 0.898 105.247 ( -0.105 -0.339 2.788) 2.810 105.999 ( -0.633 -4.053 -0.049) 4.102 106.100 ( -1.141 -5.879 2.955) 6.678 ======================= Grid point 163 (69/272) ======================= q-point: (-0.50 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -0.601 10.985 7.678) 13.415 2.104 ( 0.584 8.629 5.403) 10.198 2.833 ( 1.105 6.131 2.838) 6.845 3.209 ( -1.855 8.266 1.074) 8.539 3.691 ( -5.653 -0.738 -5.127) 7.667 3.909 ( -0.995 1.287 -1.671) 2.332 4.193 ( 10.102 17.664 -1.649) 20.415 4.299 ( -8.213 11.417 2.082) 14.217 4.626 ( 1.915 14.226 -3.425) 14.757 4.856 ( -0.213 14.250 2.279) 14.432 5.330 ( -0.334 -0.612 -1.797) 1.927 5.775 ( 1.419 -4.565 0.985) 4.881 8.109 ( 0.997 1.993 0.205) 2.238 8.509 ( 0.092 -4.704 0.587) 4.742 9.230 ( -0.108 -11.541 -0.536) 11.554 9.665 ( -0.696 11.464 -1.011) 11.529 10.074 ( 1.128 -13.833 -0.846) 13.904 10.461 ( 0.076 2.168 0.626) 2.258 10.971 ( -1.861 3.779 0.800) 4.287 12.036 ( 1.051 -10.669 -0.045) 10.721 12.095 ( -0.851 8.648 -0.468) 8.703 12.862 ( -0.763 -9.671 0.863) 9.740 13.268 ( 3.999 5.807 -2.225) 7.393 13.602 ( -2.350 -3.630 -0.133) 4.326 17.374 ( 5.553 18.027 2.709) 19.056 18.652 ( -4.379 33.503 -5.746) 34.273 20.782 ( 5.860 -16.783 -4.979) 18.461 20.969 ( -4.745 -17.427 3.881) 18.473 22.650 ( 0.043 0.056 -1.675) 1.677 23.611 ( -0.085 -3.575 -0.380) 3.596 24.681 ( 1.888 15.580 3.344) 16.046 25.076 ( 0.463 18.860 -1.521) 18.927 105.166 ( 0.447 0.371 -0.705) 0.913 105.257 ( -0.622 -0.719 3.364) 3.496 105.985 ( -0.637 -3.881 -0.063) 3.933 106.096 ( -0.614 -5.326 2.170) 5.784 ======================= Grid point 164 (70/272) ======================= q-point: (-0.38 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -6.726 14.937 8.136) 18.291 2.105 ( -5.524 10.691 6.608) 13.729 2.735 ( -5.247 2.910 4.066) 7.248 3.415 ( 13.615 8.469 0.025) 16.035 3.503 ( -6.267 -1.336 -6.803) 9.345 3.828 ( -7.840 18.162 -1.605) 19.847 4.174 ( -2.459 6.205 -2.018) 6.973 4.379 ( 7.707 10.627 0.341) 13.132 4.669 ( 3.475 14.006 -1.970) 14.565 4.868 ( 0.618 12.434 0.871) 12.480 5.323 ( 0.884 -0.647 -1.740) 2.056 5.795 ( -0.488 -5.049 2.522) 5.665 8.179 ( 5.486 1.071 0.939) 5.668 8.561 ( 4.786 -3.109 0.882) 5.775 9.214 ( -1.097 -11.889 -0.774) 11.964 9.654 ( 0.381 10.470 -1.574) 10.595 10.021 ( -5.586 -11.540 -0.214) 12.822 10.595 ( 11.922 4.002 0.553) 12.588 10.981 ( 2.741 3.830 -0.110) 4.711 11.892 ( -15.568 -2.594 1.275) 15.834 12.074 ( 0.480 -4.156 -1.848) 4.573 12.866 ( -0.498 -3.203 -0.263) 3.252 13.248 ( -4.229 0.276 0.525) 4.270 13.615 ( 3.510 -2.066 -1.818) 4.461 17.559 ( 8.557 15.791 7.036) 19.290 18.623 ( 7.315 32.465 -10.572) 34.918 20.829 ( -2.369 -15.116 -0.979) 15.332 20.944 ( 4.100 -16.930 0.332) 17.422 22.643 ( 0.199 1.697 -1.801) 2.483 23.603 ( -0.841 -3.310 -0.781) 3.503 24.710 ( -1.181 13.870 4.350) 14.584 25.023 ( -4.913 17.545 -1.338) 18.269 105.171 ( 0.390 0.228 -0.625) 0.772 105.258 ( -1.212 -1.178 3.735) 4.100 105.975 ( -0.240 -3.605 -0.391) 3.634 106.097 ( -0.514 -5.140 2.421) 5.705 ======================= Grid point 165 (71/272) ======================= q-point: (-0.25 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -8.711 15.910 8.458) 20.014 1.962 ( -9.342 18.937 5.166) 21.738 2.746 ( 2.136 -0.931 4.662) 5.212 3.329 ( -4.884 1.391 -3.939) 6.426 3.512 ( -11.663 25.824 -2.232) 28.423 3.800 ( 11.685 13.318 0.874) 17.739 4.154 ( 1.346 3.609 -5.131) 6.416 4.508 ( 4.701 5.459 0.991) 7.272 4.731 ( 3.160 13.924 -0.912) 14.307 4.896 ( 2.754 10.202 -2.547) 10.870 5.351 ( 2.258 -2.591 -0.321) 3.452 5.778 ( -3.011 -5.883 3.760) 7.604 8.333 ( 8.752 -1.863 1.065) 9.012 8.721 ( 10.255 -0.108 1.365) 10.346 9.165 ( -3.782 -12.700 -0.920) 13.283 9.663 ( 1.361 9.049 -1.364) 9.252 9.894 ( -5.136 -6.721 -0.296) 8.464 10.877 ( 12.010 7.354 -0.249) 14.085 11.081 ( 7.283 2.475 0.350) 7.700 11.502 ( -20.580 -5.011 1.138) 21.211 12.069 ( -0.047 -5.584 -2.370) 6.066 12.781 ( -7.972 4.280 -1.129) 9.119 13.175 ( -2.556 -3.819 0.960) 4.694 13.681 ( 3.348 -3.385 -1.649) 5.038 17.722 ( 3.257 11.457 4.313) 12.668 18.893 ( 25.071 26.974 -10.439) 38.277 20.745 ( -4.147 -13.525 0.290) 14.149 21.078 ( 7.933 -12.392 -1.293) 14.770 22.635 ( -0.204 4.184 -1.515) 4.454 23.538 ( -5.582 0.117 -2.182) 5.994 24.683 ( -3.760 11.562 4.051) 12.815 24.878 ( -7.821 12.863 -0.795) 15.075 105.175 ( 0.380 0.138 -0.404) 0.571 105.247 ( -1.888 -1.492 3.739) 4.447 105.972 ( 0.262 -3.440 -0.546) 3.493 106.102 ( -0.627 -5.251 3.435) 6.306 ======================= Grid point 166 (72/272) ======================= q-point: (-0.12 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -7.815 15.232 9.448) 19.554 1.849 ( -3.790 24.583 3.059) 25.061 2.797 ( -0.283 3.386 2.989) 4.525 3.246 ( -9.648 20.806 -4.139) 23.305 3.274 ( -0.352 10.599 2.968) 11.012 4.032 ( 8.642 18.879 0.269) 20.765 4.155 ( 1.496 -0.182 -3.809) 4.096 4.585 ( 2.500 0.905 0.810) 2.780 4.777 ( 1.554 15.019 -0.549) 15.109 4.949 ( 4.571 9.426 -6.496) 12.326 5.396 ( 1.165 -5.866 1.826) 6.253 5.717 ( -4.676 -6.772 3.511) 8.948 8.536 ( 10.714 -6.551 0.262) 12.561 8.916 ( 1.408 -0.221 0.071) 1.427 9.069 ( -0.461 -11.056 0.245) 11.068 9.693 ( 1.765 8.411 -0.194) 8.596 9.885 ( 6.214 -2.495 -0.331) 6.704 10.763 ( -22.908 -1.397 -0.699) 22.961 11.211 ( 4.249 4.787 1.025) 6.483 11.412 ( 10.914 4.229 0.429) 11.712 12.060 ( 1.824 -4.154 -3.018) 5.449 12.556 ( -12.631 3.306 -0.887) 13.087 13.149 ( -0.612 -2.687 0.161) 2.761 13.727 ( 1.898 -5.346 -0.920) 5.747 17.748 ( -0.679 9.340 -1.489) 9.482 19.417 ( 27.009 9.235 -9.739) 30.160 20.702 ( 1.552 -9.594 -2.480) 10.031 21.215 ( 4.832 -5.746 -1.655) 7.688 22.620 ( -0.438 6.552 -1.061) 6.652 23.345 ( -10.896 8.976 -1.994) 14.257 24.592 ( -6.303 11.524 1.240) 13.193 24.756 ( -3.507 5.031 1.755) 6.379 105.182 ( 0.377 0.108 -0.008) 0.392 105.223 ( -2.316 -1.200 3.139) 4.081 105.980 ( 0.749 -3.568 -0.415) 3.669 106.110 ( -0.861 -5.817 4.940) 7.680 ======================= Grid point 167 (73/272) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -1.825 12.184 3.996) 12.951 2.326 ( -0.972 24.403 0.610) 24.430 2.724 ( -0.248 -7.801 4.129) 8.830 3.341 ( 0.876 7.221 -2.061) 7.560 3.843 ( 1.450 25.106 1.713) 25.206 4.160 ( -0.289 4.955 -0.607) 5.001 4.473 ( 4.454 -3.354 -1.415) 5.753 4.593 ( -3.295 15.683 1.160) 16.067 5.113 ( -0.374 14.658 -1.074) 14.702 5.173 ( 5.293 4.494 -3.886) 7.957 5.282 ( -1.716 -2.358 -0.098) 2.918 5.514 ( -3.841 -5.232 1.568) 6.677 8.512 ( 4.429 -13.288 -0.818) 14.031 8.570 ( -4.696 -9.438 -2.080) 10.744 9.155 ( -2.394 6.252 0.157) 6.696 9.890 ( 0.109 7.741 1.002) 7.806 10.050 ( -0.509 -0.216 0.620) 0.831 10.336 ( 1.361 -3.410 2.567) 4.480 11.379 ( -0.568 2.845 0.524) 2.948 11.541 ( -0.517 -2.694 0.129) 2.747 12.255 ( 4.977 4.071 -1.764) 6.667 12.324 ( -1.983 3.963 -1.910) 4.826 13.097 ( -0.319 -2.518 -0.208) 2.547 13.623 ( 0.204 -6.222 -0.500) 6.246 17.882 ( -2.251 10.015 -6.139) 11.961 19.532 ( 2.215 -11.368 -1.126) 11.637 20.681 ( 5.736 -3.461 -3.657) 7.632 21.228 ( -3.700 1.626 -0.641) 4.092 22.727 ( -0.447 5.777 -2.775) 6.424 23.450 ( 0.887 7.259 3.305) 8.026 24.721 ( -3.521 11.565 -1.684) 12.206 24.823 ( 1.197 5.984 2.008) 6.424 105.186 ( -0.863 0.299 0.941) 1.311 105.200 ( 0.209 0.001 1.018) 1.039 105.921 ( 0.754 -3.454 -0.740) 3.612 105.993 ( -1.028 -5.675 2.972) 6.488 ======================= Grid point 168 (74/272) ======================= q-point: ( 0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 2.656 12.475 2.436) 12.985 2.288 ( -2.654 23.228 0.560) 23.386 2.730 ( -1.250 -3.814 4.331) 5.905 3.383 ( 4.248 6.198 -0.313) 7.521 3.915 ( 2.238 13.781 1.447) 14.036 4.133 ( -1.288 13.106 0.238) 13.171 4.408 ( -7.281 -4.790 0.016) 8.716 4.628 ( 3.758 15.089 -1.026) 15.584 5.052 ( -4.222 10.646 -1.110) 11.506 5.218 ( -3.338 9.573 -0.332) 10.144 5.261 ( 3.481 -0.563 -1.520) 3.839 5.506 ( 2.581 -6.014 -0.427) 6.558 8.366 ( -7.599 -7.165 -1.218) 10.515 8.723 ( 10.064 -13.438 -2.155) 16.927 8.992 ( -12.010 5.832 -0.626) 13.365 9.783 ( -7.944 -1.735 -0.170) 8.133 9.962 ( -1.736 7.131 2.314) 7.696 10.710 ( 21.755 -4.622 1.883) 22.320 11.279 ( -6.675 0.136 0.508) 6.696 11.489 ( -7.737 6.216 -0.238) 9.927 12.024 ( -6.472 -5.508 -0.444) 8.510 12.658 ( 16.365 7.379 -1.338) 18.002 13.069 ( -1.718 -2.739 -0.568) 3.283 13.632 ( 0.834 -5.648 -0.476) 5.729 17.795 ( -2.301 11.380 -8.364) 14.309 19.538 ( -1.002 -5.848 0.194) 5.936 20.734 ( -0.379 -6.009 1.207) 6.140 21.007 ( -14.218 3.843 -3.485) 15.135 22.695 ( -0.766 4.054 -2.714) 4.939 23.526 ( 3.027 2.754 3.277) 5.243 24.706 ( 2.981 12.143 -2.014) 12.665 24.937 ( 8.804 8.935 0.835) 12.571 105.175 ( -0.514 0.611 0.529) 0.958 105.214 ( 0.426 0.002 1.311) 1.378 105.930 ( 0.446 -3.632 -0.836) 3.754 105.988 ( -1.051 -5.812 3.005) 6.627 ======================= Grid point 169 (75/272) ======================= q-point: ( 0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 3.974 12.985 0.709) 13.598 2.259 ( -0.378 17.727 1.954) 17.839 2.738 ( 0.470 1.678 3.710) 4.098 3.492 ( 5.238 2.619 1.281) 5.995 3.839 ( -9.719 -0.138 1.645) 9.858 4.120 ( -5.153 6.163 0.990) 8.094 4.312 ( 2.825 13.668 -2.452) 14.171 4.677 ( 1.868 13.243 -2.139) 13.544 4.961 ( -4.104 9.944 0.218) 10.760 5.143 ( -3.547 7.743 1.916) 8.730 5.322 ( 3.211 3.498 -2.454) 5.346 5.577 ( 3.981 -4.299 -0.811) 5.915 8.239 ( -4.151 -2.732 -1.166) 5.105 8.719 ( -11.670 5.087 -0.689) 12.749 8.905 ( 6.733 -12.762 -0.980) 14.462 9.687 ( -1.158 -7.438 -0.779) 7.568 9.945 ( -1.093 8.666 1.076) 8.801 10.910 ( -8.868 -2.276 0.234) 9.159 11.213 ( -4.257 7.057 1.706) 8.417 11.394 ( 10.708 -3.300 -0.137) 11.206 12.004 ( 2.544 -6.842 0.328) 7.307 12.834 ( -1.627 -4.474 0.636) 4.803 13.109 ( 8.977 6.487 -2.126) 11.278 13.640 ( -0.128 -3.615 -0.424) 3.642 17.710 ( -1.274 14.769 -7.608) 16.662 19.493 ( -3.991 6.561 0.726) 7.714 20.621 ( -11.562 -0.854 3.213) 12.031 20.786 ( -3.458 -9.698 -3.894) 11.008 22.670 ( -0.433 1.737 -2.201) 2.837 23.563 ( -0.958 -2.918 2.323) 3.851 24.802 ( 6.457 14.773 -0.700) 16.138 25.154 ( 11.358 12.399 -0.566) 16.825 105.171 ( -0.029 0.712 0.001) 0.713 105.229 ( 0.202 -0.129 1.778) 1.794 105.928 ( -0.210 -3.837 -0.522) 3.878 105.985 ( -0.598 -5.513 2.233) 5.978 ======================= Grid point 170 (76/272) ======================= q-point: ( 0.38 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 4.165 11.955 1.858) 12.795 2.278 ( -0.055 11.418 3.390) 11.911 2.818 ( 6.087 5.487 2.417) 8.544 3.486 ( -10.132 1.167 -0.091) 10.199 3.708 ( -0.208 -1.523 4.100) 4.379 3.942 ( -8.721 -4.256 -2.690) 10.070 4.441 ( 8.188 21.937 -2.102) 23.510 4.679 ( -0.599 14.143 -2.171) 14.321 4.895 ( -2.454 10.760 0.601) 11.052 5.102 ( -1.873 7.391 2.733) 8.099 5.360 ( 1.783 4.814 -2.572) 5.742 5.643 ( 2.755 -3.931 -0.242) 4.806 8.181 ( -1.305 1.952 -0.463) 2.394 8.528 ( -6.228 2.730 -0.138) 6.802 8.994 ( 2.394 -10.877 -0.511) 11.149 9.711 ( 3.155 -11.224 -0.962) 11.698 9.936 ( 0.088 9.088 -0.465) 9.100 10.633 ( -13.271 1.044 0.242) 13.314 11.128 ( -3.538 7.431 1.695) 8.403 11.672 ( 10.343 -11.584 -0.700) 15.545 12.113 ( 8.064 -1.864 1.006) 8.338 12.699 ( -9.667 -12.256 0.894) 15.635 13.311 ( 9.921 9.297 -2.111) 13.759 13.613 ( -2.420 -1.330 -0.243) 2.772 17.680 ( 1.783 18.285 -3.539) 18.709 19.377 ( -6.987 18.268 -1.341) 19.604 20.467 ( -2.479 -8.402 -2.440) 9.094 20.718 ( -3.675 -13.815 1.771) 14.405 22.653 ( -0.142 0.643 -1.684) 1.808 23.533 ( -2.319 -5.747 1.631) 6.408 24.930 ( 5.298 16.628 1.404) 17.508 25.350 ( 7.631 14.687 -1.227) 16.596 105.172 ( 0.201 0.635 -0.353) 0.754 105.240 ( -0.206 -0.342 2.141) 2.178 105.918 ( -0.504 -3.848 -0.210) 3.886 105.987 ( -0.214 -5.133 1.413) 5.328 ======================= Grid point 171 (77/272) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 2.064 10.714 5.234) 12.102 2.284 ( -0.750 8.509 3.510) 9.235 2.937 ( -1.070 4.865 1.676) 5.256 3.301 ( -0.627 2.190 0.913) 2.454 3.648 ( -7.343 -2.714 -4.876) 9.222 3.889 ( 4.202 -2.702 1.725) 5.285 4.577 ( 5.768 19.072 -2.510) 20.083 4.619 ( -4.549 18.059 -0.524) 18.630 4.878 ( 0.734 10.307 -0.037) 10.333 5.084 ( -1.620 6.877 2.720) 7.570 5.367 ( 0.513 5.450 -2.958) 6.223 5.686 ( 1.251 -4.161 0.791) 4.416 8.173 ( 0.509 4.248 0.181) 4.282 8.475 ( 0.891 1.249 0.538) 1.625 9.009 ( -0.321 -10.253 -0.682) 10.281 9.763 ( 1.293 -11.588 -0.161) 11.661 9.934 ( -0.285 9.693 -1.341) 9.790 10.487 ( 0.366 0.613 0.635) 0.955 11.088 ( -1.159 7.866 1.045) 8.020 11.775 ( 1.135 -13.067 -0.405) 13.123 12.235 ( -2.744 3.115 -0.365) 4.167 12.557 ( 0.268 -18.113 1.385) 18.168 13.443 ( 1.912 9.025 -2.162) 9.475 13.557 ( -0.991 -0.485 0.163) 1.115 17.749 ( 5.161 19.278 2.066) 20.063 19.227 ( -4.607 22.119 -6.671) 23.558 20.485 ( 5.338 -12.385 -4.089) 14.092 20.649 ( -4.384 -14.213 3.810) 15.354 22.650 ( 0.726 0.657 -1.358) 1.674 23.508 ( -0.748 -6.366 1.454) 6.573 25.010 ( 1.061 16.636 3.138) 16.962 25.429 ( 0.530 15.476 -1.256) 15.536 105.175 ( 0.236 0.488 -0.514) 0.747 105.244 ( -0.674 -0.582 2.358) 2.520 105.908 ( -0.320 -3.632 -0.268) 3.656 105.991 ( -0.139 -4.960 1.169) 5.098 ======================= Grid point 172 (78/272) ======================= q-point: (-0.38 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -4.237 11.859 5.981) 13.942 2.308 ( 0.792 8.191 5.006) 9.632 2.778 ( -9.515 3.239 0.643) 10.071 3.475 ( -5.594 0.492 -4.717) 7.333 3.506 ( 14.802 0.344 -0.359) 14.810 4.006 ( 5.730 -0.144 0.318) 5.740 4.473 ( -8.285 21.564 -0.998) 23.122 4.665 ( 3.313 16.402 -1.671) 16.816 4.916 ( 2.691 9.686 0.378) 10.059 5.065 ( -1.214 5.843 1.363) 6.121 5.356 ( 0.064 5.049 -2.752) 5.751 5.701 ( -0.598 -4.140 1.921) 4.603 8.202 ( 2.124 1.396 0.295) 2.559 8.569 ( 7.751 3.577 1.612) 8.687 8.981 ( -1.997 -11.050 -0.955) 11.269 9.752 ( -1.934 -9.902 0.548) 10.104 9.907 ( -1.215 9.220 -1.530) 9.424 10.659 ( 14.543 2.256 1.170) 14.764 11.097 ( 1.825 7.841 0.329) 8.057 11.703 ( -10.425 -11.919 0.742) 15.852 12.039 ( -9.023 -3.414 -1.944) 9.841 12.691 ( 7.745 -11.689 0.440) 14.029 13.340 ( -8.235 6.536 -0.924) 10.554 13.601 ( 2.798 0.678 -0.710) 2.966 17.883 ( 4.835 16.566 5.623) 18.150 19.159 ( 3.567 19.695 -10.951) 22.815 20.553 ( -1.312 -12.097 -0.358) 12.173 20.657 ( 7.911 -11.399 0.511) 13.885 22.668 ( 1.696 1.465 -1.252) 2.567 23.516 ( 0.402 -5.332 1.324) 5.509 25.003 ( -3.579 14.900 3.944) 15.823 25.355 ( -7.016 14.775 -1.094) 16.393 105.176 ( 0.229 0.343 -0.490) 0.640 105.239 ( -1.104 -0.750 2.429) 2.771 105.903 ( 0.016 -3.397 -0.482) 3.431 105.994 ( -0.248 -4.950 1.391) 5.148 ======================= Grid point 173 (79/272) ======================= q-point: (-0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -8.072 12.136 4.839) 15.358 2.337 ( -1.151 16.766 4.502) 17.398 2.667 ( -1.414 -4.331 1.109) 4.689 3.371 ( -2.159 3.608 -3.257) 5.318 3.792 ( 11.080 0.258 -0.562) 11.098 4.107 ( 3.550 10.350 0.315) 10.947 4.305 ( -5.153 16.916 -2.686) 17.887 4.695 ( 0.191 13.884 -0.574) 13.897 4.986 ( 3.833 9.402 0.587) 10.171 5.062 ( 0.986 5.098 -0.808) 5.255 5.341 ( -0.336 3.063 -2.012) 3.680 5.677 ( -3.069 -3.848 2.612) 5.572 8.263 ( 3.962 -3.821 -0.182) 5.508 8.796 ( 12.682 6.419 2.508) 14.433 8.908 ( -4.918 -12.456 -0.803) 13.415 9.729 ( 0.332 -6.552 0.717) 6.600 9.883 ( -0.053 9.512 -1.271) 9.597 10.977 ( 8.808 1.031 2.599) 9.241 11.154 ( 2.613 4.681 -0.722) 5.409 11.404 ( -10.439 -2.618 0.757) 10.789 11.934 ( -1.518 -7.842 -2.778) 8.457 12.789 ( 0.379 -4.488 -1.175) 4.655 13.159 ( -7.644 3.188 -0.027) 8.282 13.632 ( 0.683 -1.637 -0.767) 1.933 17.966 ( 0.488 12.733 3.212) 13.141 19.261 ( 11.112 9.666 -9.192) 17.361 20.526 ( 0.334 -7.848 -0.865) 7.903 20.886 ( 13.044 -6.983 0.278) 14.798 22.699 ( 1.991 3.014 -1.369) 3.863 23.520 ( -1.167 -2.142 1.223) 2.729 24.921 ( -6.021 12.043 3.692) 13.961 25.149 ( -12.001 12.975 -0.986) 17.702 105.179 ( 0.285 0.241 -0.284) 0.469 105.226 ( -1.426 -0.711 2.321) 2.815 105.904 ( 0.351 -3.263 -0.639) 3.343 105.996 ( -0.457 -5.075 1.890) 5.435 ======================= Grid point 174 (80/272) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -6.714 12.055 4.493) 14.512 2.330 ( -0.509 23.038 1.395) 23.086 2.692 ( 1.246 -8.857 3.375) 9.560 3.342 ( 0.216 5.723 -1.847) 6.017 3.866 ( -2.279 18.688 -0.454) 18.832 4.146 ( 1.237 10.995 0.714) 11.087 4.335 ( 7.940 2.623 -3.130) 8.928 4.666 ( -3.030 11.954 0.785) 12.357 5.071 ( 4.067 10.708 -0.101) 11.455 5.099 ( 3.529 5.503 -2.803) 7.113 5.316 ( -1.232 -0.786 -1.312) 1.964 5.605 ( -5.236 -3.752 2.571) 6.936 8.367 ( 6.680 -8.830 -1.066) 11.123 8.758 ( -8.855 -12.344 -0.747) 15.210 9.065 ( 10.068 6.915 2.118) 12.397 9.806 ( 6.979 -0.631 0.591) 7.032 9.903 ( 3.089 7.413 0.176) 8.033 10.696 ( -24.536 -4.986 1.144) 25.063 11.283 ( 7.152 1.920 1.153) 7.495 11.511 ( 7.465 4.782 0.559) 8.882 11.964 ( 9.089 -4.138 -3.260) 10.506 12.635 ( -13.552 3.820 -1.972) 14.217 13.092 ( -0.003 -2.548 0.219) 2.558 13.629 ( -0.326 -4.484 -0.619) 4.538 17.949 ( -1.900 10.604 -2.050) 10.966 19.440 ( 8.492 -5.224 -4.194) 10.817 20.575 ( 5.611 -3.124 -3.839) 7.482 21.144 ( 10.361 -2.361 0.764) 10.654 22.728 ( 1.485 4.951 -1.884) 5.502 23.475 ( -3.548 3.731 1.860) 5.474 24.822 ( -5.038 10.332 2.214) 11.706 24.903 ( -10.104 9.552 -0.452) 13.912 105.185 ( 0.361 0.203 0.077) 0.421 105.208 ( -1.453 -0.384 1.975) 2.481 105.910 ( 0.646 -3.293 -0.669) 3.422 105.996 ( -0.740 -5.343 2.484) 5.938 ======================= Grid point 175 (81/272) ======================= q-point: ( 0.00 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -0.286 9.095 1.183) 9.176 2.525 ( 0.478 -10.053 4.100) 10.868 2.811 ( 0.863 22.222 0.559) 22.246 3.502 ( 0.382 8.848 -0.599) 8.877 3.970 ( 0.387 -3.296 0.504) 3.356 4.301 ( 0.005 -10.139 -0.227) 10.142 4.572 ( 0.344 24.872 -2.303) 24.981 4.924 ( -0.584 13.730 -1.419) 13.816 5.162 ( 1.990 -1.610 -0.352) 2.584 5.255 ( 1.751 -3.308 -0.222) 3.749 5.364 ( -0.151 9.630 -1.464) 9.742 5.499 ( -3.885 3.285 0.697) 5.135 8.276 ( 2.723 -9.500 -0.616) 9.902 8.379 ( -2.995 -9.089 -2.156) 9.810 9.324 ( -2.626 9.969 -0.083) 10.310 10.007 ( -2.720 2.541 0.074) 3.723 10.072 ( 0.029 2.236 1.196) 2.536 10.252 ( 2.940 -3.835 3.886) 6.201 11.391 ( -3.872 -1.459 -0.800) 4.214 11.453 ( 3.662 -5.080 -0.022) 6.263 12.337 ( -2.904 4.585 -1.641) 5.670 12.451 ( 5.544 7.042 -0.746) 8.994 13.052 ( -0.280 -1.419 -0.216) 1.462 13.494 ( -0.231 -6.686 -0.417) 6.703 18.103 ( -1.775 11.936 -5.711) 13.350 19.267 ( 1.688 -14.401 0.312) 14.503 20.664 ( 3.502 1.671 -3.487) 5.217 21.202 ( -1.416 -4.340 1.203) 4.721 22.871 ( -0.509 8.738 -1.593) 8.897 23.517 ( -0.226 -0.368 4.269) 4.290 24.923 ( -3.350 8.278 -0.728) 8.959 24.971 ( 1.966 7.982 0.410) 8.231 105.193 ( -0.534 0.333 0.760) 0.987 105.201 ( 0.295 0.075 0.867) 0.919 105.858 ( 0.571 -2.685 -0.696) 2.832 105.893 ( -0.637 -4.151 1.046) 4.328 ======================= Grid point 176 (82/272) ======================= q-point: ( 0.12 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 4.032 10.333 0.623) 11.109 2.540 ( -1.798 -4.552 4.618) 6.729 2.817 ( -0.174 18.987 1.134) 19.021 3.515 ( 1.247 7.059 0.534) 7.188 3.934 ( -4.594 -3.747 0.930) 6.001 4.218 ( -7.433 -9.649 -0.489) 12.190 4.622 ( 5.360 23.323 -2.645) 24.077 4.923 ( 1.146 12.096 -2.552) 12.415 5.163 ( -2.236 0.704 1.482) 2.773 5.224 ( -3.025 -0.032 1.513) 3.382 5.427 ( 4.936 4.556 -1.412) 6.864 5.457 ( 0.689 4.372 -2.241) 4.961 8.229 ( -3.222 -5.774 -0.866) 6.668 8.468 ( 9.124 -11.407 -2.419) 14.806 9.155 ( -12.459 9.450 -0.831) 15.660 9.732 ( -13.008 -3.032 0.184) 13.358 10.112 ( 0.719 7.128 1.800) 7.387 10.596 ( 18.332 -6.249 2.230) 19.496 11.265 ( -5.258 -0.777 -0.730) 5.365 11.555 ( 3.077 -1.774 0.076) 3.552 11.993 ( -16.522 4.277 -0.618) 17.078 12.722 ( 6.128 -2.231 0.343) 6.530 13.068 ( 5.374 3.556 -0.677) 6.480 13.528 ( 3.214 -4.908 -0.739) 5.913 18.049 ( 0.097 13.916 -7.227) 15.681 19.334 ( 4.459 -13.238 0.788) 13.991 20.661 ( -2.307 -1.058 -1.281) 2.843 21.037 ( -14.281 -1.835 0.662) 14.413 22.819 ( -2.956 8.422 -1.832) 9.112 23.520 ( -2.229 -3.098 4.055) 5.568 24.942 ( 5.312 10.939 -0.922) 12.195 25.114 ( 11.063 7.826 -0.036) 13.552 105.187 ( -0.317 0.590 0.544) 0.863 105.214 ( 0.350 -0.047 1.151) 1.203 105.863 ( 0.210 -2.871 -0.750) 2.975 105.888 ( -0.375 -4.064 1.048) 4.214 ======================= Grid point 177 (83/272) ======================= q-point: ( 0.25 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 4.835 11.294 -0.650) 12.303 2.502 ( -3.764 3.093 4.085) 6.358 2.848 ( 2.851 12.246 1.522) 12.665 3.558 ( 1.849 3.766 1.789) 4.561 3.789 ( -10.288 -3.784 2.417) 11.225 4.030 ( -9.532 -8.051 -1.893) 12.619 4.736 ( 6.881 20.979 -2.892) 22.267 4.929 ( 1.115 10.151 -3.664) 10.850 5.116 ( -2.899 4.587 2.012) 5.787 5.182 ( -2.173 0.946 3.464) 4.196 5.475 ( 2.513 7.209 -2.788) 8.128 5.522 ( 4.132 -0.644 -1.240) 4.362 8.194 ( 0.478 -1.201 -1.303) 1.836 8.647 ( 8.534 -11.400 -1.504) 14.320 8.877 ( -13.061 8.559 -0.153) 15.616 9.534 ( -6.478 -7.500 -0.245) 9.913 10.123 ( 0.020 8.763 0.438) 8.774 10.813 ( -1.503 -6.699 -0.487) 6.883 11.259 ( 6.753 -1.367 0.774) 6.933 11.485 ( -8.477 10.230 0.466) 13.295 11.843 ( 2.181 -7.997 0.670) 8.316 12.664 ( -8.570 -10.814 0.883) 13.826 13.273 ( 11.841 8.128 -0.847) 14.387 13.589 ( 2.833 -1.687 -0.889) 3.415 18.033 ( 2.205 17.402 -6.443) 18.687 19.443 ( 5.630 -9.392 -0.191) 10.952 20.572 ( -6.447 -3.933 2.292) 7.892 20.699 ( -16.687 -0.857 -1.427) 16.770 22.753 ( -2.390 6.646 -1.676) 7.259 23.468 ( -4.441 -6.283 3.047) 8.275 25.093 ( 8.643 13.617 0.117) 16.129 25.371 ( 13.102 8.612 -0.563) 15.689 105.186 ( -0.076 0.697 0.204) 0.730 105.226 ( 0.124 -0.225 1.389) 1.412 105.858 ( -0.302 -2.986 -0.440) 3.033 105.890 ( 0.112 -3.876 0.597) 3.923 ======================= Grid point 178 (84/272) ======================= q-point: ( 0.38 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 3.334 11.140 -0.903) 11.664 2.454 ( -2.819 4.884 3.322) 6.544 2.950 ( 6.190 8.401 1.291) 10.515 3.504 ( -10.887 0.688 0.475) 10.919 3.656 ( -0.907 -3.022 3.360) 4.609 3.842 ( -6.815 -5.153 -1.672) 8.706 4.850 ( 5.452 17.644 -2.693) 18.663 4.937 ( 1.762 10.290 -3.345) 10.962 5.071 ( -2.458 6.151 1.599) 6.815 5.170 ( -1.363 2.625 4.033) 5.001 5.507 ( 1.965 6.838 -2.785) 7.640 5.582 ( 2.193 -1.733 -0.270) 2.808 8.228 ( 3.007 3.035 -0.696) 4.329 8.634 ( -8.031 6.455 -0.233) 10.306 8.792 ( 3.585 -8.585 -0.182) 9.305 9.468 ( -0.203 -12.105 -0.344) 12.111 10.135 ( 1.715 9.942 -0.899) 10.129 10.633 ( -11.220 -0.954 -0.660) 11.279 11.324 ( -3.655 11.254 1.664) 11.949 11.464 ( 6.239 -7.930 -0.578) 10.107 11.979 ( 9.509 -10.751 1.569) 14.438 12.451 ( -12.404 -12.221 0.609) 17.423 13.475 ( 8.071 6.813 -0.680) 10.584 13.620 ( 0.405 1.497 -0.913) 1.800 18.071 ( 4.103 20.525 -3.323) 21.193 19.529 ( 2.581 -2.791 -2.473) 4.535 20.376 ( -10.273 -1.416 -0.141) 10.371 20.484 ( -5.529 -9.073 1.072) 10.678 22.709 ( -1.041 5.109 -1.328) 5.380 23.395 ( -3.644 -7.796 2.357) 8.922 25.255 ( 6.129 15.137 1.441) 16.394 25.595 ( 8.428 9.224 -0.745) 12.516 105.186 ( 0.029 0.665 -0.102) 0.673 105.233 ( -0.226 -0.410 1.472) 1.545 105.850 ( -0.279 -2.814 -0.340) 2.848 105.896 ( 0.169 -3.862 0.374) 3.884 ======================= Grid point 179 (85/272) ======================= q-point: (-0.50 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 1.898 9.007 0.941) 9.253 2.414 ( -2.476 3.729 1.430) 4.699 3.051 ( -1.105 6.635 0.632) 6.756 3.330 ( -0.853 1.015 0.591) 1.452 3.601 ( -4.663 -1.704 -2.919) 5.759 3.820 ( 3.426 -4.022 3.250) 6.203 4.914 ( 2.138 13.320 -2.778) 13.773 4.966 ( 1.877 14.990 -1.550) 15.186 5.038 ( -1.245 5.976 1.244) 6.230 5.156 ( -2.176 2.491 3.120) 4.547 5.518 ( 0.584 7.341 -2.708) 7.847 5.615 ( 1.115 -2.469 0.840) 2.837 8.273 ( 0.470 5.469 0.097) 5.490 8.551 ( 1.057 5.927 0.564) 6.047 8.820 ( -0.506 -8.298 -0.559) 8.332 9.488 ( 1.249 -14.032 0.486) 14.096 10.169 ( 0.546 11.847 -1.177) 11.918 10.495 ( 1.041 0.420 0.116) 1.128 11.281 ( -1.164 11.004 0.975) 11.108 11.536 ( 0.924 -9.835 -0.148) 9.879 12.163 ( -9.902 -17.589 0.513) 20.191 12.222 ( 7.027 -6.836 0.334) 9.809 13.583 ( -1.544 2.830 0.098) 3.225 13.597 ( 2.090 5.873 -1.511) 6.414 18.154 ( 4.277 20.964 1.036) 21.421 19.497 ( -2.923 3.771 -6.398) 7.981 20.292 ( 2.660 -6.569 -2.363) 7.470 20.406 ( -2.877 -9.458 3.056) 10.348 22.698 ( 0.697 4.424 -1.001) 4.589 23.362 ( -0.679 -8.038 2.231) 8.369 25.335 ( 0.385 15.133 2.494) 15.341 25.683 ( 0.334 9.395 -0.697) 9.427 105.185 ( 0.039 0.561 -0.294) 0.634 105.233 ( -0.571 -0.539 1.446) 1.645 105.844 ( -0.065 -2.598 -0.388) 2.627 105.901 ( 0.072 -3.911 0.384) 3.930 ======================= Grid point 180 (86/272) ======================= q-point: (-0.38 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -2.939 7.361 2.074) 8.193 2.389 ( 0.304 -0.090 0.410) 0.518 2.914 ( -7.928 10.025 -0.423) 12.788 3.481 ( 7.948 -0.894 -1.941) 8.231 3.518 ( 1.713 2.186 -0.392) 2.804 3.941 ( 6.316 -5.201 2.243) 8.483 4.892 ( -3.535 18.130 -1.174) 18.509 4.983 ( 1.372 14.124 -2.055) 14.339 5.049 ( 1.420 3.612 0.957) 3.998 5.120 ( -2.437 1.642 1.775) 3.433 5.504 ( -0.526 7.728 -2.285) 8.076 5.636 ( 0.036 -2.162 1.804) 2.816 8.247 ( -2.195 3.198 0.012) 3.879 8.681 ( 9.867 6.466 1.764) 11.928 8.776 ( -3.189 -8.675 -0.788) 9.276 9.512 ( 1.103 -12.286 1.353) 12.409 10.133 ( -2.155 11.591 -0.954) 11.828 10.688 ( 14.465 0.509 1.443) 14.546 11.280 ( 0.221 8.915 -0.345) 8.924 11.492 ( -5.526 -6.874 0.901) 8.866 11.896 ( -10.582 -10.205 -1.767) 14.807 12.441 ( 10.316 -12.878 0.168) 16.501 13.470 ( -7.663 6.038 -1.005) 9.807 13.632 ( 0.259 1.855 -0.305) 1.897 18.231 ( 1.335 17.963 3.712) 18.391 19.387 ( -2.809 2.583 -8.870) 9.656 20.358 ( 2.427 -6.638 -0.469) 7.084 20.480 ( 10.808 -6.517 0.615) 12.636 22.726 ( 2.439 4.643 -0.794) 5.304 23.389 ( 1.836 -7.259 2.324) 7.840 25.296 ( -5.559 13.706 2.988) 15.089 25.599 ( -7.971 9.122 -0.635) 12.130 105.184 ( 0.057 0.440 -0.308) 0.540 105.226 ( -0.820 -0.549 1.384) 1.700 105.843 ( 0.157 -2.464 -0.486) 2.517 105.903 ( -0.084 -3.975 0.526) 4.011 ======================= Grid point 181 (87/272) ======================= q-point: (-0.25 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -7.071 7.285 1.234) 10.227 2.432 ( 2.591 -6.268 1.411) 6.927 2.796 ( -2.916 16.275 -0.903) 16.559 3.476 ( 0.320 6.568 -1.050) 6.660 3.740 ( 11.098 -4.180 -0.251) 11.862 4.087 ( 7.110 -5.894 0.822) 9.272 4.775 ( -6.699 22.687 -1.324) 23.692 4.993 ( 0.153 13.841 -2.035) 13.991 5.091 ( -0.545 0.397 0.836) 1.074 5.097 ( 2.973 1.280 0.339) 3.255 5.473 ( -1.600 7.891 -1.478) 8.187 5.629 ( -1.960 -1.028 2.187) 3.112 8.210 ( -0.935 -1.124 -0.563) 1.567 8.668 ( -6.379 -11.101 -0.601) 12.817 8.952 ( 14.133 8.388 2.739) 16.661 9.580 ( 5.439 -7.570 1.493) 9.440 10.093 ( -1.351 10.684 -0.596) 10.785 10.911 ( -3.113 -7.069 3.459) 8.463 11.199 ( -2.321 0.862 -1.478) 2.884 11.489 ( 7.334 9.250 0.588) 11.819 11.763 ( -0.862 -8.200 -2.848) 8.723 12.624 ( 7.283 -10.871 -0.734) 13.106 13.271 ( -10.848 6.694 -0.913) 12.780 13.605 ( -2.520 -1.252 -0.196) 2.821 18.236 ( -2.235 14.111 1.891) 14.411 19.302 ( -1.372 -4.614 -6.326) 7.949 20.436 ( 6.197 -1.230 -2.230) 6.700 20.772 ( 16.051 -4.985 0.834) 16.828 22.784 ( 3.493 5.746 -0.814) 6.773 23.447 ( 2.133 -5.184 2.661) 6.205 25.160 ( -8.682 11.252 2.733) 14.473 25.372 ( -13.238 8.711 -0.677) 15.862 105.185 ( 0.153 0.331 -0.118) 0.384 105.216 ( -0.934 -0.395 1.313) 1.659 105.845 ( 0.352 -2.439 -0.575) 2.530 105.903 ( -0.279 -4.050 0.722) 4.123 ======================= Grid point 182 (88/272) ======================= q-point: (-0.12 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -5.304 7.921 1.039) 9.589 2.486 ( 1.528 -10.623 2.689) 11.064 2.782 ( 1.295 21.295 -0.419) 21.338 3.491 ( 1.074 8.658 -0.413) 8.734 3.911 ( 5.553 -4.190 -0.002) 6.956 4.230 ( 6.209 -7.968 -0.105) 10.101 4.637 ( -5.162 24.885 -2.000) 25.493 4.961 ( -1.946 13.913 -1.087) 14.090 5.113 ( 2.427 -0.597 -0.818) 2.630 5.175 ( 4.550 -0.890 -0.246) 4.643 5.420 ( -2.943 8.433 -1.012) 8.989 5.578 ( -4.041 0.736 1.969) 4.555 8.215 ( 2.144 -5.720 -1.262) 6.237 8.516 ( -7.729 -11.175 -0.550) 13.598 9.235 ( 10.395 9.325 2.133) 14.126 9.764 ( 12.144 -2.731 1.351) 12.521 10.074 ( -0.337 8.326 0.555) 8.351 10.578 ( -22.349 -6.355 1.456) 23.281 11.295 ( 6.579 -0.237 0.832) 6.636 11.537 ( -4.066 -3.155 -0.948) 5.233 11.967 ( 20.494 5.426 -1.801) 21.276 12.665 ( -5.303 -1.980 -1.855) 5.957 13.080 ( -5.068 2.272 -0.149) 5.556 13.539 ( -3.367 -4.573 -0.251) 5.684 18.177 ( -3.035 12.008 -2.326) 12.602 19.261 ( -0.427 -11.626 -2.101) 11.822 20.566 ( 7.474 2.016 -3.915) 8.675 21.079 ( 11.843 -4.671 1.338) 12.801 22.848 ( 3.009 7.430 -1.109) 8.092 23.493 ( 0.654 -1.943 3.461) 4.022 25.009 ( -6.378 8.517 1.828) 10.796 25.099 ( -11.845 8.613 -0.853) 14.670 105.190 ( 0.294 0.240 0.220) 0.438 105.204 ( -0.871 -0.092 1.205) 1.489 105.851 ( 0.519 -2.523 -0.624) 2.650 105.899 ( -0.494 -4.120 0.901) 4.246 ======================= Grid point 183 (89/272) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 1.258 8.447 0.870) 8.584 2.309 ( 1.888 -10.897 3.602) 11.631 3.243 ( 1.193 20.180 -0.133) 20.216 3.686 ( -0.699 8.973 -0.221) 9.003 3.858 ( 1.063 -8.084 0.753) 8.188 4.074 ( -0.848 -11.555 -0.843) 11.617 4.987 ( 0.574 14.360 -3.598) 14.815 5.092 ( -0.647 3.206 -0.241) 3.279 5.166 ( 0.614 -1.203 -0.737) 1.538 5.205 ( 1.846 2.691 -0.874) 3.378 5.504 ( -1.629 4.524 -0.808) 4.875 5.563 ( -1.884 1.840 0.866) 2.773 8.142 ( 1.172 -3.654 -0.715) 3.903 8.218 ( -1.685 -6.558 -1.808) 7.008 9.541 ( -2.603 11.171 0.035) 11.470 9.950 ( -3.713 -7.359 0.105) 8.244 10.131 ( 1.077 3.366 1.775) 3.955 10.219 ( 2.229 -0.308 3.368) 4.051 11.341 ( -3.717 -2.489 -1.534) 4.729 11.367 ( 3.808 -3.287 -0.435) 5.049 12.438 ( -0.711 5.150 -1.226) 5.341 12.553 ( 3.161 2.010 -0.686) 3.809 13.068 ( -0.038 3.608 0.002) 3.608 13.349 ( -0.315 -7.717 -0.188) 7.726 18.363 ( -0.916 13.831 -4.278) 14.507 18.965 ( 1.035 -15.344 -0.541) 15.388 20.742 ( 1.850 5.913 -2.781) 6.791 21.068 ( -0.318 -8.367 0.147) 8.374 23.072 ( -0.504 10.744 0.969) 10.799 23.448 ( -0.731 -6.151 3.959) 7.352 25.062 ( -1.196 5.397 -0.040) 5.528 25.100 ( 0.584 4.135 -0.172) 4.179 105.199 ( -0.236 0.235 0.667) 0.745 105.202 ( 0.202 0.039 0.751) 0.779 105.816 ( 0.351 -1.442 -0.582) 1.594 105.828 ( -0.263 -2.231 0.023) 2.246 ======================= Grid point 184 (90/272) ======================= q-point: ( 0.12 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 4.804 9.511 1.425) 10.750 2.379 ( 2.374 -9.431 5.051) 10.959 3.226 ( -2.679 19.676 0.115) 19.857 3.658 ( -1.582 6.683 0.307) 6.875 3.830 ( -4.492 -6.799 1.689) 8.321 3.997 ( -5.580 -11.215 -1.635) 12.633 5.016 ( 3.971 14.021 -3.990) 15.109 5.078 ( -0.289 4.297 -1.109) 4.447 5.153 ( -1.604 -1.464 0.544) 2.239 5.238 ( 1.186 2.211 0.657) 2.593 5.493 ( 1.245 3.207 -1.824) 3.894 5.551 ( 0.830 2.192 -0.886) 2.506 8.150 ( 1.046 -1.771 -0.953) 2.267 8.273 ( 7.139 -7.697 -2.160) 10.718 9.352 ( -13.611 9.722 -0.561) 16.736 9.656 ( -15.557 -4.806 0.318) 16.286 10.243 ( 3.769 5.816 1.397) 7.070 10.470 ( 13.936 -6.103 2.027) 15.348 11.268 ( -2.230 1.397 -1.239) 2.909 11.449 ( 4.515 -6.758 -0.626) 8.152 12.165 ( -16.754 10.956 -0.099) 20.018 12.598 ( -5.177 -8.857 0.367) 10.266 13.182 ( 10.837 6.644 -0.200) 12.713 13.427 ( 6.579 -5.218 -0.552) 8.415 18.354 ( 2.573 16.191 -5.192) 17.197 19.032 ( 5.654 -16.243 -0.491) 17.206 20.690 ( -5.415 3.737 -1.671) 6.789 20.943 ( -11.361 -6.678 0.329) 13.182 23.019 ( -4.465 10.846 0.602) 11.744 23.412 ( -4.607 -7.313 3.528) 9.335 25.133 ( 7.774 7.587 -0.133) 10.864 25.229 ( 10.947 3.204 -0.086) 11.407 105.198 ( -0.143 0.484 0.618) 0.798 105.212 ( 0.216 -0.172 0.938) 0.978 105.817 ( 0.018 -1.590 -0.576) 1.691 105.825 ( 0.078 -2.087 -0.028) 2.088 ======================= Grid point 185 (91/272) ======================= q-point: ( 0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 5.007 9.861 0.397) 11.066 2.444 ( 1.075 -6.319 4.534) 7.851 3.164 ( -2.383 16.621 -0.205) 16.792 3.632 ( -1.583 2.352 1.740) 3.326 3.694 ( -9.516 -5.131 1.874) 10.973 3.859 ( -6.480 -8.047 -1.460) 10.434 5.062 ( 0.444 3.657 -1.554) 3.998 5.089 ( 3.295 12.659 -3.391) 13.513 5.127 ( -0.411 -0.276 1.061) 1.171 5.260 ( 0.390 3.838 1.464) 4.126 5.520 ( 1.977 1.455 -1.461) 2.857 5.579 ( 2.335 1.749 -1.822) 3.440 8.203 ( 4.682 2.215 -1.347) 5.352 8.437 ( 9.143 -9.144 -1.372) 13.004 9.059 ( -13.875 9.023 0.097) 16.551 9.385 ( -10.860 -7.368 0.239) 13.126 10.299 ( 1.587 8.700 -0.176) 8.846 10.655 ( 2.437 -8.656 -0.696) 9.019 11.269 ( 3.231 2.843 -0.102) 4.305 11.539 ( 4.137 -7.171 -0.123) 8.280 11.858 ( -12.303 11.514 1.265) 16.897 12.419 ( -11.042 -13.310 1.033) 17.325 13.415 ( 10.710 5.827 -0.302) 12.196 13.558 ( 6.015 -1.752 -0.719) 6.306 18.408 ( 5.251 19.495 -4.803) 20.754 19.174 ( 8.237 -16.481 -1.333) 18.473 20.532 ( -8.866 0.261 -0.058) 8.870 20.655 ( -15.882 -3.598 0.472) 16.292 22.925 ( -4.490 9.867 0.035) 10.841 23.317 ( -5.850 -8.529 2.584) 10.661 25.332 ( 10.536 9.745 0.499) 14.361 25.486 ( 13.079 2.610 -0.098) 13.337 105.199 ( -0.079 0.628 0.412) 0.755 105.220 ( 0.044 -0.379 0.987) 1.058 105.813 ( -0.125 -1.428 -0.443) 1.501 105.829 ( 0.264 -2.184 -0.178) 2.207 ======================= Grid point 186 (92/272) ======================= q-point: ( 0.38 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 2.448 9.566 -1.389) 9.971 2.464 ( -1.051 -3.323 2.151) 4.096 3.154 ( 1.611 11.001 -0.048) 11.118 3.488 ( -10.365 -3.485 1.125) 10.992 3.617 ( -1.237 0.174 1.192) 1.727 3.742 ( -4.179 -4.700 1.108) 6.386 5.065 ( 0.823 3.976 -1.162) 4.223 5.097 ( -0.529 2.320 0.571) 2.447 5.173 ( 3.551 8.573 -2.253) 9.549 5.267 ( -0.620 4.748 1.663) 5.069 5.551 ( 1.539 0.799 -0.189) 1.744 5.613 ( 1.845 1.552 -1.955) 3.104 8.311 ( 5.899 5.194 -0.820) 7.903 8.589 ( 5.268 -8.002 -0.816) 9.614 8.826 ( -8.467 8.830 0.783) 12.259 9.233 ( -4.140 -11.138 0.357) 11.888 10.327 ( 2.344 8.847 -1.391) 9.258 10.590 ( -5.908 -3.566 -1.547) 7.072 11.362 ( 4.299 -0.171 0.157) 4.305 11.564 ( -2.825 7.058 0.730) 7.637 11.754 ( 2.038 -6.453 1.698) 6.977 12.197 ( -10.736 -13.185 0.900) 17.027 13.586 ( 5.984 4.219 -0.218) 7.325 13.649 ( 3.217 0.927 -0.862) 3.457 18.503 ( 5.851 22.072 -3.036) 23.035 19.325 ( 6.944 -15.765 -2.745) 17.444 20.358 ( -11.431 -1.673 -0.740) 11.576 20.362 ( -8.065 -2.470 1.946) 8.656 22.851 ( -2.510 8.581 -0.286) 8.946 23.225 ( -4.024 -8.982 1.982) 10.040 25.523 ( 6.930 11.007 1.159) 13.059 25.712 ( 8.305 2.274 -0.053) 8.611 105.199 ( -0.089 0.656 0.151) 0.679 105.223 ( -0.203 -0.526 0.885) 1.050 105.809 ( -0.031 -1.188 -0.424) 1.262 105.833 ( 0.222 -2.338 -0.169) 2.354 ======================= Grid point 187 (93/272) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -0.025 7.691 -2.269) 8.018 2.423 ( -3.146 -2.584 -1.155) 4.232 3.195 ( -0.232 7.031 -0.283) 7.040 3.342 ( -1.405 -0.110 0.179) 1.421 3.589 ( -1.394 0.799 0.256) 1.627 3.730 ( 1.513 -4.762 3.606) 6.162 5.081 ( 1.037 3.471 -0.612) 3.674 5.088 ( -0.620 1.505 0.633) 1.747 5.222 ( 2.023 7.761 -1.283) 8.122 5.251 ( -1.542 6.478 0.689) 6.695 5.582 ( 1.186 0.657 1.241) 1.838 5.629 ( 0.643 1.997 -1.601) 2.639 8.388 ( 0.571 5.891 -0.091) 5.919 8.629 ( 0.535 -4.089 -0.574) 4.164 8.747 ( -0.118 6.646 1.064) 6.732 9.210 ( 0.889 -13.435 1.062) 13.506 10.383 ( 1.602 8.560 -1.063) 8.773 10.505 ( 1.823 0.387 -0.467) 1.921 11.402 ( -0.894 -1.403 -0.328) 1.696 11.523 ( -0.140 10.603 0.900) 10.642 11.803 ( -2.601 -15.262 0.904) 15.508 12.055 ( -0.291 -10.456 0.219) 10.462 13.647 ( -0.292 3.103 -0.050) 3.118 13.679 ( 0.561 2.291 -1.048) 2.582 18.590 ( 3.047 22.034 -0.360) 22.246 19.384 ( -0.113 -13.480 -4.364) 14.169 20.219 ( -0.512 -1.167 -0.968) 1.600 20.274 ( -1.142 -4.033 1.611) 4.491 22.825 ( 0.215 7.884 -0.316) 7.894 23.188 ( -0.455 -9.062 1.880) 9.267 25.604 ( 0.001 11.120 1.649) 11.242 25.800 ( 0.081 2.148 0.003) 2.150 105.197 ( -0.122 0.606 -0.054) 0.621 105.222 ( -0.413 -0.579 0.734) 1.022 105.807 ( 0.082 -1.034 -0.425) 1.121 105.836 ( 0.133 -2.440 -0.113) 2.446 ======================= Grid point 188 (94/272) ======================= q-point: (-0.38 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -3.076 5.092 -1.997) 6.275 2.339 ( -3.151 -4.057 -3.346) 6.131 3.138 ( -2.153 11.111 -0.837) 11.349 3.439 ( 8.092 -3.330 -0.699) 8.778 3.588 ( 1.062 4.362 1.103) 4.623 3.818 ( 4.797 -6.609 3.144) 8.751 5.081 ( -0.269 0.643 0.257) 0.743 5.093 ( 0.127 1.378 0.146) 1.392 5.208 ( -2.423 9.292 -0.170) 9.605 5.243 ( 0.448 8.484 -1.433) 8.616 5.609 ( 0.384 1.156 1.798) 2.172 5.624 ( -0.421 2.002 -0.388) 2.083 8.331 ( -4.946 5.106 -0.049) 7.109 8.594 ( -4.451 -7.803 -0.592) 9.003 8.854 ( 9.733 8.935 1.876) 13.345 9.270 ( 4.564 -11.592 1.781) 12.585 10.358 ( -1.893 10.466 -0.085) 10.636 10.664 ( 9.264 -3.401 1.382) 9.965 11.329 ( -5.350 0.265 -1.157) 5.480 11.558 ( 1.690 4.854 0.272) 5.147 11.689 ( -3.607 -4.528 -0.738) 5.836 12.172 ( 9.006 -13.877 -0.102) 16.544 13.577 ( -6.076 4.428 -0.739) 7.555 13.658 ( -2.551 0.451 -0.352) 2.615 18.604 ( -2.047 18.874 1.296) 19.029 19.283 ( -6.172 -11.558 -4.938) 14.002 20.290 ( 6.654 -0.540 -0.972) 6.746 20.378 ( 11.036 -3.951 0.328) 11.726 22.856 ( 2.867 8.069 -0.120) 8.564 23.225 ( 2.781 -8.897 2.078) 9.550 25.540 ( -7.005 10.127 1.852) 12.452 25.715 ( -8.217 2.244 -0.003) 8.518 105.194 ( -0.106 0.516 -0.103) 0.537 105.216 ( -0.523 -0.523 0.642) 0.979 105.807 ( 0.173 -0.996 -0.448) 1.105 105.837 ( 0.024 -2.487 -0.046) 2.488 ======================= Grid point 189 (95/272) ======================= q-point: (-0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -5.573 4.989 -1.789) 7.691 2.282 ( -1.003 -7.451 -2.150) 7.820 3.133 ( 2.096 16.066 -1.281) 16.253 3.601 ( 6.228 -0.323 0.142) 6.238 3.648 ( 5.287 0.533 0.147) 5.316 3.940 ( 5.440 -8.015 1.950) 9.881 5.075 ( -0.760 0.010 -0.466) 0.892 5.097 ( 0.689 -0.682 0.356) 1.033 5.149 ( -2.706 12.995 -1.383) 13.346 5.229 ( -0.923 8.206 -1.587) 8.409 5.596 ( -1.613 3.747 0.014) 4.080 5.623 ( -0.908 0.151 2.525) 2.687 8.224 ( -4.861 2.591 -0.450) 5.527 8.465 ( -7.311 -8.927 -0.361) 11.545 9.121 ( 14.519 8.227 2.527) 16.878 9.429 ( 10.159 -7.389 1.935) 12.710 10.308 ( -3.418 10.596 0.394) 11.140 10.729 ( -7.102 -10.105 2.442) 12.590 11.245 ( 0.117 3.876 -1.136) 4.041 11.515 ( -3.602 -7.806 -1.460) 8.720 11.801 ( 13.225 12.632 -0.888) 18.310 12.374 ( 10.583 -13.615 -0.719) 17.259 13.402 ( -10.327 6.021 -0.828) 11.982 13.571 ( -5.703 -2.328 -0.139) 6.162 18.533 ( -4.858 15.210 0.260) 15.969 19.122 ( -6.588 -12.246 -3.635) 14.373 20.461 ( 10.263 3.258 -2.083) 10.967 20.666 ( 15.572 -5.603 0.278) 16.552 22.934 ( 4.516 8.937 0.232) 10.016 23.311 ( 4.091 -8.139 2.585) 9.469 25.360 ( -10.821 8.276 1.640) 13.721 25.488 ( -13.184 2.691 -0.124) 13.456 105.192 ( -0.005 0.400 0.044) 0.402 105.208 ( -0.523 -0.354 0.654) 0.909 105.809 ( 0.252 -1.062 -0.488) 1.196 105.836 ( -0.099 -2.475 0.004) 2.476 ======================= Grid point 190 (96/272) ======================= q-point: (-0.12 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -3.363 6.668 -0.695) 7.500 2.272 ( 0.441 -10.209 0.811) 10.251 3.191 ( 3.634 19.047 -1.052) 19.419 3.674 ( 1.784 9.059 0.811) 9.268 3.783 ( 6.042 -8.778 -0.518) 10.669 4.043 ( 3.594 -9.724 0.447) 10.376 5.029 ( -2.425 10.107 -2.732) 10.747 5.104 ( -0.651 3.236 0.378) 3.322 5.135 ( 2.090 -0.401 -0.511) 2.189 5.199 ( -0.498 7.260 -2.231) 7.611 5.553 ( -2.568 4.257 0.081) 4.972 5.602 ( -2.355 0.922 2.166) 3.330 8.148 ( -1.853 -0.721 -0.972) 2.213 8.317 ( -6.493 -8.416 -0.534) 10.643 9.424 ( 12.091 8.988 2.086) 15.209 9.695 ( 14.755 -4.240 1.825) 15.460 10.225 ( -4.621 6.526 0.971) 8.055 10.452 ( -18.081 -5.870 1.425) 19.063 11.294 ( 3.464 0.537 -0.132) 3.508 11.430 ( -3.890 -5.923 -1.620) 7.269 12.141 ( 19.084 10.523 -1.093) 21.821 12.554 ( 5.931 -8.218 -1.323) 10.221 13.177 ( -10.082 6.463 -0.378) 11.982 13.438 ( -6.705 -5.578 -0.104) 8.723 18.433 ( -3.947 13.394 -2.218) 14.139 18.999 ( -3.662 -13.899 -1.712) 14.475 20.647 ( 8.502 5.817 -2.893) 10.700 20.952 ( 10.950 -7.629 0.280) 13.349 23.027 ( 3.879 9.990 0.706) 10.740 23.403 ( 2.848 -6.778 3.408) 8.104 25.160 ( -8.454 6.112 1.000) 10.480 25.225 ( -11.181 3.603 -0.355) 11.753 105.195 ( 0.143 0.251 0.334) 0.441 105.202 ( -0.428 -0.090 0.729) 0.850 105.812 ( 0.326 -1.223 -0.528) 1.372 105.833 ( -0.214 -2.389 0.017) 2.398 ======================= Grid point 191 (97/272) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 2.103 -9.783 2.097) 10.224 2.098 ( 2.103 9.783 2.097) 10.224 3.611 ( 1.454 -15.811 -0.082) 15.878 3.611 ( 1.454 15.811 -0.082) 15.878 3.868 ( -1.228 -8.926 -0.246) 9.014 3.868 ( -1.228 8.926 -0.246) 9.014 5.100 ( 0.783 -1.954 -0.169) 2.112 5.100 ( 0.783 1.954 -0.169) 2.112 5.224 ( 0.314 -3.345 -3.045) 4.534 5.224 ( 0.314 3.345 -3.045) 4.534 5.563 ( -1.777 -1.580 0.482) 2.426 5.563 ( -1.777 1.580 0.482) 2.426 8.128 ( -0.321 -2.099 -1.199) 2.439 8.128 ( -0.321 2.099 -1.199) 2.439 9.763 ( -2.720 -10.542 0.295) 10.891 9.763 ( -2.720 10.542 0.295) 10.891 10.194 ( 1.085 -2.431 2.365) 3.561 10.194 ( 1.085 2.431 2.365) 3.561 11.323 ( 0.100 -0.820 -1.170) 1.432 11.323 ( 0.100 0.820 -1.170) 1.432 12.530 ( 1.186 -3.521 -0.959) 3.837 12.530 ( 1.186 3.521 -0.959) 3.837 13.190 ( -0.114 -7.662 0.042) 7.663 13.190 ( -0.114 7.662 0.042) 7.663 18.656 ( 0.119 -15.079 -2.323) 15.257 18.656 ( 0.119 15.079 -2.323) 15.257 20.891 ( 0.627 -8.533 -1.496) 8.686 20.891 ( 0.627 8.533 -1.496) 8.686 23.283 ( -0.686 -9.752 2.879) 10.191 23.283 ( -0.686 9.752 2.879) 10.191 25.130 ( -0.163 -1.081 -0.036) 1.093 25.130 ( -0.163 1.081 -0.036) 1.093 105.202 ( 0.014 -0.087 0.669) 0.674 105.202 ( 0.014 0.087 0.669) 0.674 105.803 ( 0.072 -0.256 -0.411) 0.490 105.803 ( 0.072 0.256 -0.411) 0.490 ======================= Grid point 193 (98/272) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 4.307 -9.787 3.408) 11.223 2.183 ( 4.307 9.787 3.408) 11.223 3.585 ( -4.070 -15.162 0.401) 15.704 3.585 ( -4.070 15.162 0.401) 15.704 3.814 ( -3.473 -6.863 -0.341) 7.699 3.814 ( -3.473 6.863 -0.341) 7.699 5.108 ( -0.181 -1.665 0.483) 1.744 5.108 ( -0.181 1.665 0.483) 1.744 5.234 ( 2.161 -4.307 -3.139) 5.751 5.234 ( 2.161 4.307 -3.139) 5.751 5.547 ( 0.402 -1.955 -0.792) 2.147 5.547 ( 0.402 1.955 -0.792) 2.147 8.163 ( 4.499 -3.086 -1.505) 5.659 8.163 ( 4.499 3.086 -1.505) 5.659 9.531 ( -15.271 -7.671 -0.040) 17.089 9.531 ( -15.271 7.671 -0.040) 17.089 10.354 ( 8.587 -5.447 1.581) 10.291 10.354 ( 8.587 5.447 1.581) 10.291 11.329 ( 1.372 -4.685 -1.140) 5.013 11.329 ( 1.372 4.685 -1.140) 5.013 12.392 ( -11.874 -11.110 0.184) 16.262 12.392 ( -11.874 11.110 0.184) 16.262 13.313 ( 9.760 -6.128 -0.235) 11.527 13.313 ( 9.760 6.128 -0.235) 11.527 18.693 ( 4.684 -17.123 -2.714) 17.958 18.693 ( 4.684 17.123 -2.714) 17.958 20.800 ( -8.409 -6.816 -0.933) 10.864 20.800 ( -8.409 6.816 -0.933) 10.864 23.234 ( -5.105 -10.056 2.439) 11.538 23.234 ( -5.105 10.056 2.439) 11.538 25.236 ( 9.717 -2.485 0.066) 10.029 25.236 ( 9.717 2.485 0.066) 10.029 105.207 ( 0.040 -0.335 0.746) 0.819 105.207 ( 0.040 0.335 0.746) 0.819 105.803 ( 0.093 -0.182 -0.431) 0.477 105.803 ( 0.093 0.182 -0.431) 0.477 ======================= Grid point 195 (99/272) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 3.870 -8.733 2.617) 9.904 2.288 ( 3.870 8.733 2.617) 9.904 3.473 ( -6.245 -13.326 -0.083) 14.717 3.473 ( -6.245 13.326 -0.083) 14.717 3.733 ( -4.420 -4.658 0.903) 6.485 3.733 ( -4.420 4.658 0.903) 6.485 5.103 ( -0.405 -1.171 0.849) 1.502 5.103 ( -0.405 1.171 0.849) 1.502 5.268 ( 2.410 -3.851 -2.631) 5.250 5.268 ( 2.410 3.851 -2.631) 5.250 5.565 ( 1.689 -2.391 -1.198) 3.163 5.565 ( 1.689 2.391 -1.198) 3.163 8.285 ( 7.756 -5.893 -1.323) 9.831 8.285 ( 7.756 5.893 -1.323) 9.831 9.231 ( -13.334 -8.050 0.335) 15.579 9.231 ( -13.334 8.050 0.335) 15.579 10.476 ( 2.831 -8.905 -0.543) 9.360 10.476 ( 2.831 8.905 -0.543) 9.360 11.374 ( 3.472 -7.358 -0.394) 8.146 11.374 ( 3.472 7.358 -0.394) 8.146 12.136 ( -12.608 -14.474 1.210) 19.234 12.136 ( -12.608 14.474 1.210) 19.234 13.508 ( 8.712 -3.417 -0.382) 9.366 13.508 ( 8.712 3.417 -0.382) 9.366 18.805 ( 7.532 -19.493 -2.959) 21.106 18.805 ( 7.532 19.493 -2.959) 21.106 20.575 ( -12.425 -3.640 0.009) 12.947 20.575 ( -12.425 3.640 0.009) 12.947 23.129 ( -5.764 -9.971 1.571) 11.624 23.129 ( -5.764 9.971 1.571) 11.624 25.473 ( 12.087 -3.953 0.370) 12.723 25.473 ( 12.087 3.953 0.370) 12.723 105.211 ( -0.033 -0.525 0.656) 0.841 105.211 ( -0.033 0.525 0.656) 0.841 105.803 ( 0.122 -0.423 -0.422) 0.610 105.803 ( 0.122 0.423 -0.422) 0.610 ======================= Grid point 197 (100/272) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 1.094 -7.487 0.025) 7.567 2.349 ( 1.094 7.487 0.025) 7.567 3.360 ( -4.270 -8.732 -0.350) 9.726 3.360 ( -4.270 8.732 -0.350) 9.726 3.659 ( -3.288 -3.367 2.118) 5.160 3.659 ( -3.288 3.367 2.118) 5.160 5.105 ( -0.016 -0.578 0.784) 0.974 5.105 ( -0.016 0.578 0.784) 0.974 5.295 ( 1.449 -2.405 -1.617) 3.240 5.295 ( 1.449 2.405 -1.617) 3.240 5.595 ( 1.681 -2.676 -0.810) 3.262 5.595 ( 1.681 2.676 -0.810) 3.262 8.435 ( 6.693 -7.024 -0.764) 9.732 8.435 ( 6.693 7.024 -0.764) 9.732 9.019 ( -7.394 -10.083 0.740) 12.526 9.019 ( -7.394 10.083 0.740) 12.526 10.485 ( -0.207 -6.695 -1.713) 6.914 10.485 ( -0.207 6.695 -1.713) 6.914 11.451 ( 3.401 -8.347 0.340) 9.020 11.451 ( 3.401 8.347 0.340) 9.020 11.921 ( -8.742 -13.750 1.398) 16.354 11.921 ( -8.742 13.750 1.398) 16.354 13.644 ( 4.745 -1.544 -0.447) 5.010 13.644 ( 4.745 1.544 -0.447) 5.010 18.944 ( 7.009 -21.112 -2.807) 22.421 18.944 ( 7.009 21.112 -2.807) 22.421 20.339 ( -9.862 -0.558 0.543) 9.893 20.339 ( -9.862 0.558 0.543) 9.893 23.037 ( -3.632 -9.496 0.971) 10.213 23.037 ( -3.632 9.496 0.971) 10.213 25.685 ( 7.711 -4.863 0.629) 9.138 25.685 ( 7.711 4.863 0.629) 9.138 105.212 ( -0.158 -0.618 0.453) 0.782 105.212 ( -0.158 0.618 0.453) 0.782 105.803 ( 0.139 -0.625 -0.391) 0.750 105.803 ( 0.139 0.625 -0.391) 0.750 ======================= Grid point 199 (101/272) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -2.076 -6.183 -2.859) 7.121 2.330 ( -2.076 6.183 -2.859) 7.121 3.307 ( -0.536 -3.681 -0.573) 3.764 3.307 ( -0.536 3.681 -0.573) 3.764 3.638 ( 0.053 -3.902 2.923) 4.876 3.638 ( 0.053 3.902 2.923) 4.876 5.105 ( -0.456 -0.191 0.613) 0.788 5.105 ( -0.456 0.191 0.613) 0.788 5.312 ( 0.980 -1.137 -1.012) 1.810 5.312 ( 0.980 1.137 -1.012) 1.810 5.620 ( 0.935 -2.271 0.118) 2.458 5.620 ( 0.935 2.271 0.118) 2.458 8.510 ( 0.362 -6.161 -0.354) 6.181 8.510 ( 0.362 6.161 -0.354) 6.181 8.953 ( 0.481 -11.897 1.278) 11.975 8.953 ( 0.481 11.897 1.278) 11.975 10.492 ( 2.155 -2.395 -0.875) 3.339 10.492 ( 2.155 2.395 -0.875) 3.339 11.482 ( -1.133 -9.018 0.019) 9.089 11.482 ( -1.133 9.018 0.019) 9.089 11.821 ( -1.056 -11.879 0.841) 11.956 11.821 ( -1.056 11.879 0.841) 11.956 13.691 ( 0.081 -0.982 -0.499) 1.105 13.691 ( 0.081 0.982 -0.499) 1.105 19.026 ( 1.632 -20.588 -2.125) 20.762 19.026 ( 1.632 20.588 -2.125) 20.762 20.223 ( -0.923 -1.322 0.221) 1.627 20.223 ( -0.923 1.322 0.221) 1.627 23.002 ( -0.199 -9.260 0.805) 9.297 23.002 ( -0.199 9.260 0.805) 9.297 25.770 ( -0.075 -5.060 0.792) 5.122 25.770 ( -0.075 5.060 0.792) 5.122 105.209 ( -0.262 -0.617 0.255) 0.717 105.209 ( -0.262 0.617 0.255) 0.717 105.804 ( 0.134 -0.733 -0.356) 0.825 105.804 ( 0.134 0.733 -0.356) 0.825 ======================= Grid point 201 (102/272) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -3.814 -4.833 -4.113) 7.404 2.247 ( -3.814 4.833 -4.113) 7.404 3.332 ( 3.352 -7.589 -1.147) 8.375 3.332 ( 3.352 7.589 -1.147) 8.375 3.690 ( 3.133 -5.778 3.026) 7.236 3.690 ( 3.133 5.778 3.026) 7.236 5.093 ( -0.919 -0.554 0.423) 1.153 5.093 ( -0.919 0.554 0.423) 1.153 5.321 ( 0.279 -1.268 -1.293) 1.833 5.321 ( 0.279 1.268 -1.293) 1.833 5.632 ( -0.126 -1.218 1.227) 1.734 5.632 ( -0.126 1.218 1.227) 1.734 8.449 ( -5.560 -6.519 -0.242) 8.572 8.449 ( -5.560 6.519 -0.242) 8.572 9.049 ( 7.856 -10.322 1.887) 13.108 9.049 ( 7.856 10.322 1.887) 13.108 10.546 ( 1.859 -7.945 0.763) 8.195 10.546 ( 1.859 7.945 0.763) 8.195 11.418 ( -3.681 -8.236 -1.040) 9.081 11.418 ( -3.681 8.236 -1.040) 9.081 11.887 ( 6.828 -14.027 0.080) 15.601 11.887 ( 6.828 14.027 0.080) 15.601 13.643 ( -4.540 -2.031 -0.510) 5.000 13.643 ( -4.540 2.031 -0.510) 5.000 18.978 ( -4.971 -17.609 -1.537) 18.362 18.978 ( -4.971 17.609 -1.537) 18.362 20.314 ( 9.302 -2.414 -0.427) 9.620 20.314 ( 9.302 2.414 -0.427) 9.620 23.037 ( 3.060 -9.475 1.006) 10.008 23.037 ( 3.060 9.475 1.006) 10.008 25.690 ( -7.892 -4.541 0.820) 9.143 25.690 ( -7.892 4.541 0.820) 9.143 105.205 ( -0.286 -0.542 0.178) 0.638 105.205 ( -0.286 0.542 0.178) 0.638 105.804 ( 0.112 -0.746 -0.336) 0.826 105.804 ( 0.112 0.746 -0.336) 0.826 ======================= Grid point 203 (103/272) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -3.557 -5.770 -3.135) 7.469 2.147 ( -3.557 5.770 -3.135) 7.469 3.423 ( 6.001 -12.269 -1.550) 13.746 3.423 ( 6.001 12.269 -1.550) 13.746 3.781 ( 3.940 -7.614 2.341) 8.887 3.781 ( 3.940 7.614 2.341) 8.887 5.080 ( -0.304 -0.657 0.095) 0.730 5.080 ( -0.304 0.657 0.095) 0.730 5.302 ( -1.279 -1.749 -2.088) 3.009 5.302 ( -1.279 1.749 -2.088) 3.009 5.628 ( -1.246 -0.190 1.927) 2.303 5.628 ( -1.246 0.190 1.927) 2.303 8.312 ( -7.015 -6.078 -0.292) 9.286 8.312 ( -7.015 6.078 -0.292) 9.286 9.280 ( 13.344 -7.542 2.224) 15.488 9.280 ( 13.344 7.542 2.224) 15.488 10.520 ( -5.721 -10.485 1.428) 12.029 10.520 ( -5.721 10.485 1.428) 12.029 11.355 ( -1.593 -7.024 -1.374) 7.332 11.355 ( -1.593 7.024 -1.374) 7.332 12.086 ( 12.601 -14.655 -0.721) 19.341 12.086 ( 12.601 14.655 -0.721) 19.341 13.506 ( -8.421 -4.194 -0.435) 9.417 13.506 ( -8.421 4.194 -0.435) 9.417 18.841 ( -6.782 -15.028 -1.577) 16.563 18.841 ( -6.782 15.028 -1.577) 16.563 20.552 ( 13.231 -5.433 -0.891) 14.331 20.552 ( 13.231 5.433 -0.891) 14.331 23.127 ( 4.814 -9.773 1.557) 11.005 23.127 ( 4.814 9.773 1.557) 11.005 25.480 ( -12.334 -3.371 0.652) 12.803 25.480 ( -12.334 3.371 0.652) 12.803 105.201 ( -0.218 -0.399 0.265) 0.526 105.201 ( -0.218 0.399 0.265) 0.526 105.805 ( 0.086 -0.668 -0.344) 0.756 105.805 ( 0.086 0.668 -0.344) 0.756 ======================= Grid point 205 (104/272) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -1.238 -8.223 -0.588) 8.336 2.085 ( -1.238 8.223 -0.588) 8.336 3.539 ( 5.542 -15.021 -1.163) 16.052 3.539 ( 5.542 15.021 -1.163) 16.052 3.856 ( 2.093 -8.844 1.082) 9.152 3.856 ( 2.093 8.844 1.082) 9.152 5.084 ( 0.727 -1.479 -0.240) 1.665 5.084 ( 0.727 1.479 -0.240) 1.665 5.255 ( -1.559 -2.630 -2.754) 4.115 5.255 ( -1.559 2.630 -2.754) 4.115 5.601 ( -2.266 -1.036 1.664) 2.996 5.601 ( -2.266 1.036 1.664) 2.996 8.186 ( -4.701 -4.341 -0.668) 6.434 8.186 ( -4.701 4.341 -0.668) 6.434 9.585 ( 14.325 -6.803 2.023) 15.987 9.585 ( 14.325 6.803 2.023) 15.987 10.341 ( -11.396 -5.338 1.284) 12.650 10.341 ( -11.396 5.338 1.284) 12.650 11.332 ( -0.352 -3.454 -1.133) 3.652 11.332 ( -0.352 3.454 -1.133) 3.652 12.359 ( 13.440 -10.663 -1.127) 17.193 12.359 ( 13.440 10.663 -1.127) 17.193 13.314 ( -9.516 -6.684 -0.200) 11.630 13.314 ( -9.516 6.684 -0.200) 11.630 18.713 ( -4.369 -14.217 -1.917) 14.996 18.713 ( -4.369 14.217 -1.917) 14.996 20.790 ( 9.626 -7.971 -1.345) 12.570 20.790 ( 9.626 7.971 -1.345) 12.570 23.232 ( 3.837 -9.773 2.375) 10.764 23.232 ( 3.837 9.773 2.375) 10.764 25.242 ( -10.016 -1.803 0.281) 10.181 25.242 ( -10.016 1.803 0.281) 10.181 105.199 ( -0.094 -0.189 0.469) 0.514 105.199 ( -0.094 0.189 0.469) 0.514 105.804 ( 0.070 -0.497 -0.375) 0.626 105.804 ( 0.070 0.497 -0.375) 0.626 ======================= Grid point 255 (105/272) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -0.355 0.000 13.950) 13.955 0.736 ( 1.745 0.000 15.615) 15.712 1.540 ( -2.965 0.000 31.471) 31.610 3.004 ( 1.226 0.000 -4.480) 4.645 3.064 ( -0.297 0.000 -3.684) 3.696 3.385 ( 5.674 0.000 0.468) 5.694 3.672 ( -4.096 0.000 2.476) 4.786 4.033 ( 3.050 0.000 -2.650) 4.040 4.304 ( 3.921 0.000 -1.768) 4.301 4.952 ( 1.588 0.000 3.008) 3.401 5.946 ( 3.270 0.000 0.901) 3.392 6.983 ( -17.641 0.000 -9.836) 20.198 8.115 ( -0.587 0.000 -0.271) 0.646 8.750 ( 5.425 0.000 -0.794) 5.483 9.404 ( 2.186 0.000 -0.763) 2.315 9.419 ( 1.032 0.000 1.446) 1.776 9.652 ( -0.583 0.000 -0.188) 0.612 10.675 ( 0.246 0.000 -0.090) 0.261 10.728 ( 2.533 0.000 2.567) 3.606 11.409 ( -2.917 0.000 -0.300) 2.933 12.278 ( 3.074 0.000 1.717) 3.521 12.527 ( 0.737 0.000 -0.733) 1.039 13.204 ( -0.001 0.000 0.499) 0.499 14.461 ( -2.672 0.000 -2.037) 3.360 16.455 ( 1.278 0.000 5.462) 5.610 17.330 ( -2.287 0.000 -4.307) 4.877 21.609 ( 0.920 0.000 -1.603) 1.849 21.644 ( -1.686 0.000 -0.733) 1.838 21.883 ( 4.561 0.000 3.090) 5.509 22.081 ( 0.334 0.000 3.255) 3.272 24.340 ( -0.425 0.000 -1.031) 1.115 24.788 ( 0.141 0.000 2.586) 2.590 105.213 ( 0.993 0.000 1.131) 1.504 105.308 ( -6.502 0.000 -0.339) 6.511 106.212 ( -0.892 0.000 1.549) 1.788 106.993 ( -1.368 0.000 -1.326) 1.906 ======================= Grid point 256 (106/272) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 18.237 0.000 10.812) 21.201 1.113 ( 27.626 0.000 7.759) 28.695 1.647 ( -2.571 0.000 26.728) 26.851 2.969 ( -2.630 0.000 -4.050) 4.829 3.007 ( -3.619 0.000 -0.188) 3.624 3.537 ( 10.020 0.000 -8.933) 13.424 3.611 ( -2.679 0.000 1.246) 2.955 4.064 ( 1.187 0.000 -1.868) 2.213 4.352 ( 1.656 0.000 -2.197) 2.751 4.942 ( -4.344 0.000 3.356) 5.489 5.938 ( -5.557 0.000 0.100) 5.557 6.309 ( -29.946 0.000 6.843) 30.718 8.106 ( -0.092 0.000 -0.118) 0.149 9.134 ( 13.487 0.000 -6.169) 14.831 9.334 ( -8.074 0.000 1.095) 8.148 9.546 ( 18.380 0.000 -4.612) 18.950 9.704 ( 4.003 0.000 -0.019) 4.003 10.702 ( 2.255 0.000 -0.158) 2.260 10.897 ( 9.522 0.000 -2.431) 9.827 11.295 ( -6.118 0.000 2.675) 6.677 12.332 ( 2.206 0.000 -2.742) 3.519 12.551 ( 1.257 0.000 -0.356) 1.306 13.208 ( 0.437 0.000 0.278) 0.518 14.299 ( -10.430 0.000 2.519) 10.730 16.525 ( 2.456 0.000 5.384) 5.918 17.240 ( -3.993 0.000 -4.034) 5.676 21.627 ( 1.613 0.000 -1.758) 2.386 21.748 ( 9.898 0.000 -1.500) 10.011 22.093 ( -0.925 0.000 2.903) 3.047 22.236 ( 26.155 0.000 -8.953) 27.645 24.293 ( -3.533 0.000 0.025) 3.533 24.756 ( -4.490 0.000 2.337) 5.062 105.198 ( -4.147 0.000 1.575) 4.436 105.247 ( 1.363 0.000 1.826) 2.278 106.198 ( -1.156 0.000 1.544) 1.929 106.833 ( -11.805 0.000 3.904) 12.434 ======================= Grid point 257 (107/272) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 21.762 0.000 6.456) 22.699 1.620 ( 12.431 0.000 3.895) 13.027 1.742 ( 2.428 0.000 20.183) 20.329 2.841 ( -8.523 0.000 -2.297) 8.827 3.005 ( 5.583 0.000 2.772) 6.233 3.588 ( 0.467 0.000 -0.953) 1.061 3.655 ( 6.133 0.000 -8.330) 10.344 4.061 ( -0.681 0.000 -1.053) 1.254 4.347 ( -0.137 0.000 -4.898) 4.900 4.805 ( -11.241 0.000 3.487) 11.770 5.695 ( -13.095 0.000 -1.040) 13.137 6.035 ( -6.602 0.000 6.476) 9.248 8.112 ( 0.604 0.000 0.336) 0.691 9.158 ( -8.959 0.000 0.592) 8.979 9.196 ( -0.310 0.000 -0.875) 0.928 9.774 ( 2.697 0.000 -0.020) 2.697 9.957 ( 19.821 0.000 -7.018) 21.026 10.754 ( 2.744 0.000 -0.334) 2.764 10.895 ( -5.821 0.000 -1.257) 5.955 11.344 ( 5.886 0.000 3.747) 6.978 12.352 ( 3.163 0.000 -5.544) 6.383 12.547 ( -1.767 0.000 -0.408) 1.813 13.247 ( 3.884 0.000 -0.517) 3.919 14.120 ( -8.441 0.000 2.068) 8.690 16.599 ( 2.038 0.000 3.204) 3.797 17.143 ( -3.485 0.000 -1.407) 3.759 21.652 ( 1.844 0.000 -2.240) 2.902 21.983 ( 12.860 0.000 -1.274) 12.923 22.075 ( -2.116 0.000 2.187) 3.043 22.690 ( 23.428 0.000 -13.130) 26.857 24.216 ( -3.786 0.000 0.685) 3.847 24.640 ( -7.696 0.000 1.750) 7.892 105.151 ( -1.377 0.000 1.299) 1.893 105.291 ( 1.589 0.000 3.018) 3.411 106.186 ( -0.912 0.000 1.594) 1.837 106.627 ( -10.644 0.000 6.200) 12.318 ======================= Grid point 258 (108/272) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -8.363 0.000 6.126) 10.367 1.968 ( 6.551 0.000 13.423) 14.936 1.969 ( 20.417 0.000 3.627) 20.736 2.595 ( -14.913 0.000 -0.394) 14.918 3.305 ( 20.109 0.000 3.489) 20.409 3.619 ( 3.534 0.000 -2.844) 4.536 3.699 ( 2.212 0.000 -5.157) 5.611 4.026 ( -2.303 0.000 -0.228) 2.314 4.283 ( -4.317 0.000 -6.133) 7.500 4.533 ( -15.410 0.000 1.221) 15.459 5.486 ( -7.082 0.000 -1.987) 7.355 5.977 ( -1.932 0.000 3.036) 3.599 8.134 ( 1.171 0.000 0.968) 1.519 8.998 ( -6.438 0.000 -0.022) 6.438 9.182 ( -0.514 0.000 0.492) 0.711 9.814 ( 1.251 0.000 -0.082) 1.254 10.197 ( 6.601 0.000 -3.889) 7.661 10.799 ( 1.702 0.000 -0.519) 1.779 10.829 ( 0.572 0.000 0.257) 0.627 11.402 ( -2.440 0.000 3.728) 4.455 12.436 ( 7.333 0.000 -4.778) 8.753 12.486 ( -2.859 0.000 -1.519) 3.237 13.363 ( 7.819 0.000 -1.081) 7.893 13.962 ( -8.014 0.000 -0.153) 8.016 16.619 ( -1.121 0.000 -0.575) 1.260 17.111 ( 0.323 0.000 2.813) 2.831 21.673 ( 1.550 0.000 -2.772) 3.176 22.036 ( -2.608 0.000 1.526) 3.022 22.203 ( 8.499 0.000 -2.092) 8.753 23.048 ( 17.897 0.000 -8.224) 19.696 24.163 ( -1.416 0.000 0.546) 1.517 24.480 ( -8.119 0.000 0.400) 8.129 105.146 ( 0.012 0.000 0.838) 0.838 105.343 ( 1.519 0.000 3.956) 4.237 106.178 ( -0.870 0.000 2.158) 2.327 106.476 ( -7.245 0.000 5.280) 8.965 ======================= Grid point 259 (109/272) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -12.649 0.000 9.639) 15.903 2.167 ( 6.341 0.000 10.599) 12.351 2.232 ( -19.525 0.000 0.840) 19.543 2.369 ( 16.034 0.000 2.004) 16.159 3.601 ( -0.770 0.000 0.068) 0.773 3.693 ( 5.323 0.000 -3.967) 6.638 3.817 ( 13.356 0.000 -2.786) 13.644 3.968 ( -3.479 0.000 0.677) 3.544 3.999 ( -16.988 0.000 1.552) 17.059 4.341 ( -1.445 0.000 -7.176) 7.320 5.376 ( -2.681 0.000 -1.008) 2.864 5.991 ( 2.191 0.000 1.225) 2.510 8.162 ( 0.700 0.000 1.378) 1.545 8.916 ( -1.153 0.000 -0.416) 1.225 9.185 ( 0.511 0.000 0.759) 0.915 9.826 ( 0.088 0.000 -0.108) 0.140 10.246 ( 1.325 0.000 -1.107) 1.726 10.813 ( -0.069 0.000 -0.598) 0.602 10.827 ( -3.673 0.000 -0.818) 3.763 11.385 ( 1.764 0.000 3.229) 3.679 12.412 ( -2.563 0.000 -2.627) 3.670 12.565 ( 5.590 0.000 -2.736) 6.224 13.545 ( 10.243 0.000 -0.666) 10.265 13.780 ( -9.409 0.000 -2.164) 9.655 16.559 ( -3.556 0.000 -1.548) 3.879 17.176 ( 3.592 0.000 3.972) 5.355 21.680 ( 0.594 0.000 -3.103) 3.160 21.996 ( -1.812 0.000 1.359) 2.265 22.274 ( -0.568 0.000 -2.109) 2.185 23.311 ( 10.594 0.000 -5.895) 12.124 24.163 ( 0.588 0.000 0.560) 0.811 24.353 ( -2.593 0.000 -1.409) 2.951 105.155 ( 0.414 0.000 0.609) 0.737 105.396 ( 1.503 0.000 4.303) 4.558 106.171 ( -1.358 0.000 3.416) 3.676 106.395 ( -3.190 0.000 4.255) 5.318 ======================= Grid point 260 (110/272) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -10.614 0.000 16.280) 19.434 1.789 ( -24.306 0.000 3.029) 24.494 2.273 ( -4.633 0.000 8.580) 9.751 2.669 ( 12.305 0.000 0.020) 12.305 3.396 ( -18.681 0.000 3.758) 19.055 3.585 ( -7.560 0.000 -9.066) 11.805 3.785 ( 5.908 0.000 -4.766) 7.590 3.897 ( -4.038 0.000 1.915) 4.469 4.151 ( 5.423 0.000 -1.825) 5.722 4.390 ( 11.481 0.000 -3.146) 11.904 5.384 ( 3.928 0.000 1.017) 4.058 6.081 ( 5.739 0.000 2.852) 6.408 8.170 ( -0.627 0.000 1.080) 1.249 8.955 ( 5.051 0.000 -0.113) 5.052 9.212 ( 1.827 0.000 0.421) 1.875 9.816 ( -1.064 0.000 -0.084) 1.067 10.227 ( -4.573 0.000 -3.237) 5.603 10.712 ( -3.448 0.000 0.976) 3.584 10.791 ( -1.742 0.000 -0.523) 1.819 11.510 ( 7.175 0.000 1.622) 7.357 12.339 ( -3.169 0.000 -4.682) 5.654 12.618 ( 0.616 0.000 -0.721) 0.949 13.540 ( -10.970 0.000 -3.052) 11.387 13.781 ( 11.672 0.000 0.233) 11.675 16.480 ( -3.482 0.000 0.054) 3.482 17.275 ( 4.051 0.000 2.186) 4.603 21.663 ( -0.578 0.000 -3.013) 3.068 21.985 ( -0.086 0.000 1.759) 1.762 22.171 ( -8.088 0.000 -0.789) 8.127 23.343 ( -3.829 0.000 -13.377) 13.914 24.179 ( 1.557 0.000 0.068) 1.559 24.403 ( 6.982 0.000 0.054) 6.982 105.167 ( 0.423 0.000 0.491) 0.648 105.450 ( 1.596 0.000 3.344) 3.705 106.167 ( -0.881 0.000 4.458) 4.544 106.397 ( 0.738 0.000 5.992) 6.037 ======================= Grid point 261 (111/272) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -7.613 0.000 21.997) 23.277 1.300 ( -25.639 0.000 6.266) 26.394 1.947 ( -30.212 0.000 9.178) 31.575 2.867 ( 7.791 0.000 -1.802) 7.997 3.195 ( -2.650 0.000 2.691) 3.777 3.397 ( -7.267 0.000 -7.209) 10.236 3.815 ( -3.414 0.000 0.681) 3.481 3.888 ( 4.845 0.000 -2.592) 5.495 4.178 ( 2.275 0.000 -4.657) 5.183 4.645 ( 11.426 0.000 1.482) 11.521 5.551 ( 11.256 0.000 1.562) 11.364 6.275 ( 11.632 0.000 7.661) 13.928 8.154 ( -1.185 0.000 0.399) 1.250 9.103 ( 8.828 0.000 0.556) 8.845 9.265 ( 3.344 0.000 -0.281) 3.356 9.780 ( -2.477 0.000 -0.020) 2.477 9.957 ( -18.332 0.000 -8.504) 20.208 10.743 ( -2.553 0.000 -0.339) 2.576 10.767 ( 6.077 0.000 -0.213) 6.081 11.601 ( -0.554 0.000 -3.458) 3.502 12.223 ( -4.940 0.000 -2.514) 5.543 12.594 ( -2.447 0.000 0.312) 2.467 13.320 ( -7.979 0.000 -1.980) 8.221 14.046 ( 13.906 0.000 1.836) 14.027 16.427 ( -2.178 0.000 2.267) 3.144 17.350 ( 2.663 0.000 -0.480) 2.706 21.631 ( -0.789 0.000 -2.495) 2.617 21.971 ( -10.531 0.000 0.251) 10.534 22.008 ( 1.078 0.000 2.444) 2.671 22.976 ( -22.562 0.000 -23.900) 32.867 24.240 ( 4.143 0.000 -0.472) 4.170 24.574 ( 8.054 0.000 1.988) 8.296 105.178 ( 0.455 0.000 0.443) 0.635 105.482 ( 0.065 0.000 0.107) 0.126 106.189 ( 0.594 0.000 3.504) 3.554 106.517 ( 7.531 0.000 11.431) 13.689 ======================= Grid point 262 (112/272) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -20.006 0.000 11.938) 23.297 1.015 ( -26.030 0.000 12.208) 28.750 1.492 ( -13.533 0.000 27.001) 30.203 2.972 ( 4.164 0.000 -3.509) 5.446 3.124 ( -4.495 0.000 -4.906) 6.654 3.313 ( 0.363 0.000 4.569) 4.584 3.744 ( -4.211 0.000 2.427) 4.860 3.971 ( 4.569 0.000 -3.233) 5.597 4.227 ( 4.449 0.000 -3.084) 5.413 4.847 ( 7.066 0.000 2.782) 7.594 5.800 ( 10.851 0.000 -0.072) 10.851 6.705 ( 27.026 0.000 5.719) 27.625 8.132 ( -0.976 0.000 -0.101) 0.982 9.286 ( -17.047 0.000 -9.141) 19.343 9.293 ( 8.670 0.000 1.071) 8.735 9.400 ( -16.048 0.000 -5.786) 17.059 9.715 ( -3.870 0.000 0.006) 3.870 10.694 ( -1.846 0.000 -0.161) 1.853 10.798 ( -4.514 0.000 -3.128) 5.492 11.459 ( -5.450 0.000 -1.796) 5.738 12.203 ( 1.932 0.000 4.194) 4.618 12.544 ( -1.951 0.000 -0.440) 2.000 13.217 ( -2.111 0.000 0.030) 2.111 14.346 ( 13.247 0.000 -0.251) 13.250 16.419 ( -0.435 0.000 4.241) 4.263 17.372 ( 0.265 0.000 -2.907) 2.919 21.610 ( -0.050 0.000 -1.901) 1.901 21.781 ( -7.727 0.000 -0.052) 7.728 22.048 ( 1.137 0.000 3.058) 3.263 22.233 ( -33.787 0.000 -14.128) 36.622 24.316 ( 3.173 0.000 -1.181) 3.386 24.722 ( 4.851 0.000 2.610) 5.509 105.192 ( 0.668 0.000 0.594) 0.894 105.434 ( -4.246 0.000 -2.206) 4.785 106.212 ( 0.066 0.000 1.799) 1.800 106.822 ( 14.323 0.000 7.368) 16.107 ======================= Grid point 263 (113/272) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -7.142 19.319 9.966) 22.881 1.152 ( 4.166 25.132 13.932) 29.036 1.607 ( -1.662 11.914 23.195) 26.129 3.031 ( -2.545 0.684 -2.488) 3.624 3.208 ( 2.206 14.886 -4.119) 15.603 3.365 ( 3.677 -1.156 1.970) 4.329 3.928 ( -1.862 20.644 -5.053) 21.335 4.138 ( 2.924 10.092 -2.539) 10.810 4.296 ( 3.880 -0.732 -1.546) 4.241 4.904 ( 1.130 -4.315 2.691) 5.210 5.900 ( 3.944 -4.636 0.940) 6.159 6.335 ( -12.436 -35.096 5.524) 37.642 8.672 ( -26.011 13.222 -4.575) 29.535 8.829 ( 25.743 12.413 -4.147) 28.878 9.415 ( 1.150 6.209 -2.795) 6.906 9.562 ( -5.315 -6.067 -0.691) 8.095 9.604 ( 7.664 15.063 -5.394) 17.740 10.446 ( 0.494 -12.503 0.767) 12.536 10.933 ( 1.919 10.664 1.682) 10.965 11.418 ( -1.546 1.056 -0.420) 1.919 12.201 ( 1.505 -5.716 4.493) 7.425 12.468 ( -1.520 -4.609 -0.723) 4.907 13.194 ( -0.090 -0.832 0.467) 0.958 14.177 ( 0.177 -16.464 3.440) 16.820 17.080 ( -3.670 23.448 -19.068) 30.444 17.759 ( 3.095 53.830 -10.871) 55.004 21.278 ( 2.400 -18.848 -1.530) 19.061 21.446 ( -1.912 -14.927 1.009) 15.083 22.164 ( -0.282 16.895 3.895) 17.340 22.384 ( 3.679 21.963 -0.622) 22.277 24.325 ( -1.119 -0.805 -0.331) 1.418 24.786 ( 0.021 -0.192 2.838) 2.845 105.212 ( 0.967 -0.119 1.153) 1.510 105.289 ( -5.720 -1.681 0.488) 5.981 106.175 ( -0.554 -3.451 1.383) 3.759 106.800 ( -1.215 -15.409 5.721) 16.482 ======================= Grid point 264 (114/272) ======================= q-point: ( 0.12 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 12.923 7.529 10.163) 18.082 1.459 ( 12.587 11.473 17.013) 24.073 1.750 ( 6.330 19.044 12.295) 23.536 2.968 ( -2.580 1.098 0.208) 2.811 3.181 ( -2.872 15.043 -2.537) 15.524 3.465 ( 5.531 -2.282 -2.305) 6.412 3.871 ( -0.452 18.927 -6.921) 20.158 4.165 ( 0.823 9.456 -1.842) 9.669 4.347 ( 2.002 -0.184 -2.074) 2.889 4.889 ( -4.272 -4.874 3.139) 7.202 5.879 ( -9.485 -6.734 0.422) 11.640 6.049 ( -11.312 -17.440 7.744) 22.183 8.274 ( -11.467 10.388 -0.896) 15.499 9.182 ( 2.961 -6.271 -0.402) 6.947 9.322 ( -2.476 9.417 -3.096) 10.217 9.547 ( 5.482 -4.846 -1.102) 7.399 9.788 ( 11.740 9.804 -4.727) 16.009 10.588 ( 9.384 -5.609 -3.210) 11.394 11.044 ( 7.192 9.598 -0.685) 12.013 11.308 ( -6.449 1.303 1.916) 6.852 12.269 ( 2.916 -5.801 0.027) 6.493 12.457 ( 0.654 -6.084 0.371) 6.131 13.200 ( 0.537 -0.817 0.230) 1.004 14.147 ( -4.373 -10.863 3.085) 12.110 16.879 ( -6.134 19.150 -10.608) 22.735 17.647 ( -7.212 43.081 -2.989) 43.782 21.295 ( 1.259 -18.896 -0.606) 18.948 21.601 ( 11.873 -18.321 -4.187) 22.230 22.217 ( 2.928 15.878 3.562) 16.534 22.603 ( 17.788 22.309 -7.434) 29.485 24.283 ( -2.833 -0.433 0.549) 2.918 24.759 ( -3.947 0.357 2.512) 4.692 105.193 ( -3.640 -0.380 1.620) 4.002 105.247 ( 1.332 -0.060 1.775) 2.221 106.167 ( -0.796 -2.923 1.274) 3.286 106.711 ( -8.944 -10.585 6.213) 15.187 ======================= Grid point 265 (115/272) ======================= q-point: ( 0.25 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 14.518 -2.914 9.226) 17.446 1.727 ( 5.909 -0.096 17.200) 18.187 1.985 ( 10.101 24.088 1.955) 26.193 2.970 ( 0.067 9.359 1.170) 9.432 3.095 ( -0.532 11.229 0.469) 11.252 3.547 ( 3.927 -1.755 -2.674) 5.065 3.839 ( 0.974 15.041 -6.453) 16.396 4.149 ( -1.510 7.362 -1.843) 7.738 4.356 ( 0.565 1.742 -3.968) 4.371 4.758 ( -10.564 -4.297 3.253) 11.859 5.629 ( -10.879 -5.908 -0.070) 12.380 5.969 ( -3.578 -5.716 5.090) 8.449 8.137 ( -3.138 2.375 0.114) 3.937 9.056 ( -8.395 -8.832 0.624) 12.201 9.301 ( -1.535 8.884 -0.627) 9.038 9.654 ( 3.614 -9.027 -0.570) 9.740 10.042 ( 14.458 3.700 -4.275) 15.524 10.664 ( -0.743 -3.090 -2.359) 3.958 11.029 ( -4.909 8.018 0.032) 9.402 11.398 ( 9.555 4.861 2.280) 10.960 12.314 ( 3.961 -4.938 -4.596) 7.823 12.484 ( 1.023 -2.727 0.453) 2.948 13.231 ( 2.906 -1.601 -0.310) 3.333 14.051 ( -6.092 -6.083 1.563) 8.749 16.753 ( -2.570 11.934 -3.029) 12.578 17.493 ( -6.643 33.198 -0.132) 33.856 21.343 ( 3.596 -20.670 -1.209) 21.015 21.759 ( 5.219 -18.283 -2.800) 19.218 22.316 ( 5.259 15.514 1.099) 16.418 22.935 ( 18.573 18.488 -10.460) 28.216 24.231 ( -2.336 1.983 1.100) 3.256 24.662 ( -6.479 2.246 1.769) 7.082 105.152 ( -1.257 0.113 1.212) 1.749 105.289 ( 1.511 -0.200 2.922) 3.295 106.159 ( -0.668 -2.513 1.326) 2.919 106.557 ( -8.996 -6.495 6.353) 12.786 ======================= Grid point 266 (116/272) ======================= q-point: ( 0.38 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -1.988 -2.534 8.691) 9.269 1.954 ( 7.135 0.287 11.121) 13.217 2.185 ( 11.951 16.503 3.139) 20.616 2.793 ( -13.707 17.388 0.385) 22.144 3.361 ( 19.284 5.870 2.905) 20.366 3.600 ( 3.046 -1.359 -3.792) 5.050 3.836 ( 1.510 12.200 -4.052) 12.944 4.083 ( -4.044 3.543 -1.921) 5.710 4.327 ( -1.815 5.923 -4.448) 7.626 4.502 ( -14.685 -2.774 1.512) 15.021 5.457 ( -6.022 -2.654 -1.663) 6.787 5.940 ( -1.052 -3.512 2.617) 4.505 8.115 ( 0.247 -1.309 0.883) 1.598 8.911 ( -5.814 -7.939 0.223) 9.843 9.266 ( -1.318 7.537 -0.012) 7.651 9.693 ( 0.904 -9.917 -0.247) 9.962 10.255 ( 6.865 3.232 -2.798) 8.087 10.611 ( -0.807 -9.878 -0.081) 9.911 10.958 ( -3.312 5.439 -0.027) 6.368 11.526 ( 1.600 10.771 2.870) 11.261 12.395 ( 3.974 -7.000 -3.327) 8.710 12.510 ( 3.887 5.875 -2.520) 7.482 13.323 ( 6.531 -3.767 -0.628) 7.566 13.918 ( -7.411 -4.232 -0.299) 8.540 16.724 ( -0.026 9.825 0.179) 9.826 17.384 ( -3.924 25.485 0.248) 25.787 21.412 ( 3.796 -20.096 -2.325) 20.583 21.797 ( -0.050 -17.302 -0.376) 17.307 22.413 ( 3.559 11.894 -1.554) 12.511 23.229 ( 14.782 14.255 -6.439) 21.521 24.211 ( -0.130 4.989 0.931) 5.077 24.531 ( -6.514 5.246 0.339) 8.371 105.147 ( -0.005 0.138 0.767) 0.779 105.337 ( 1.352 -0.491 3.827) 4.088 106.154 ( -0.756 -2.336 1.872) 3.087 106.430 ( -6.381 -4.392 5.051) 9.248 ======================= Grid point 267 (117/272) ======================= q-point: (-0.50 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -10.535 3.523 10.464) 15.261 2.095 ( -0.479 -1.055 8.519) 8.597 2.467 ( -1.216 14.418 3.370) 14.856 2.541 ( 4.235 16.851 1.380) 17.429 3.567 ( -1.630 -1.773 -3.024) 3.866 3.776 ( 9.786 3.167 -1.292) 10.367 3.845 ( -3.005 4.877 -2.823) 6.387 3.962 ( -0.894 3.661 2.478) 4.511 4.146 ( -8.679 9.507 -1.074) 12.918 4.355 ( 0.336 3.006 -5.846) 6.583 5.362 ( -2.279 -1.333 -1.104) 2.862 5.962 ( 2.266 -2.773 1.149) 3.761 8.140 ( 1.246 -1.801 1.369) 2.583 8.835 ( -1.332 -7.305 -0.155) 7.427 9.254 ( 0.108 6.382 0.089) 6.383 9.701 ( 0.229 -10.501 -0.156) 10.505 10.304 ( 0.855 4.556 -0.756) 4.697 10.637 ( 0.490 -13.683 -0.435) 13.698 10.867 ( -4.370 3.177 -0.406) 5.418 11.559 ( 1.623 13.638 2.409) 13.944 12.386 ( -2.013 -3.865 -2.108) 4.841 12.614 ( 5.363 6.000 -3.003) 8.590 13.483 ( 8.878 -5.912 -0.255) 10.670 13.746 ( -8.546 -3.088 -2.075) 9.321 16.743 ( 1.573 16.108 1.051) 16.219 17.341 ( -0.495 16.630 0.202) 16.639 21.461 ( 2.337 -18.117 -3.251) 18.554 21.771 ( -2.242 -17.133 0.838) 17.299 22.428 ( -0.997 9.384 -2.036) 9.654 23.441 ( 7.800 9.741 -4.284) 13.194 24.231 ( 1.401 7.047 0.523) 7.204 24.431 ( -2.047 7.894 -1.147) 8.235 105.155 ( 0.370 0.035 0.545) 0.660 105.385 ( 1.148 -1.021 4.201) 4.473 106.146 ( -1.325 -2.381 2.971) 4.031 106.360 ( -2.780 -3.343 4.023) 5.924 ======================= Grid point 268 (118/272) ======================= q-point: (-0.38 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -10.012 5.875 15.814) 19.617 1.884 ( -20.880 7.660 5.099) 22.818 2.399 ( -4.343 12.327 5.811) 14.303 2.815 ( 12.523 13.374 0.399) 18.326 3.404 ( -17.271 1.266 2.969) 17.569 3.502 ( -8.843 -4.938 -6.653) 12.118 3.914 ( 4.909 11.110 -2.825) 12.471 4.031 ( -0.903 6.155 -1.593) 6.421 4.185 ( 5.386 6.944 -0.896) 8.833 4.408 ( 9.770 2.355 -3.548) 10.657 5.370 ( 3.611 -1.375 0.558) 3.904 6.044 ( 4.753 -3.566 2.538) 6.461 8.173 ( 1.353 0.284 1.043) 1.732 8.865 ( 4.346 -7.756 0.168) 8.892 9.270 ( 1.492 5.218 -0.130) 5.429 9.700 ( -0.389 -9.879 -0.215) 9.889 10.269 ( -6.427 2.538 -2.638) 7.396 10.593 ( -0.577 -8.584 0.623) 8.625 10.843 ( 1.333 3.951 0.041) 4.170 11.622 ( 2.501 9.259 1.518) 9.710 12.309 ( -4.031 -3.441 -3.969) 6.621 12.656 ( -0.076 4.063 -1.192) 4.235 13.499 ( -9.272 -4.348 -2.235) 10.482 13.720 ( 9.178 -4.849 -0.160) 10.382 16.812 ( 5.454 29.248 0.211) 29.753 17.358 ( 1.850 8.512 -0.033) 8.710 21.463 ( -0.506 -16.563 -3.250) 16.887 21.728 ( -2.281 -17.967 0.805) 18.129 22.362 ( -4.278 10.788 -0.767) 11.631 23.444 ( -4.724 7.640 -9.805) 13.298 24.261 ( 1.554 8.196 -0.258) 8.346 24.465 ( 5.249 6.237 0.070) 8.152 105.166 ( 0.394 -0.069 0.436) 0.592 105.428 ( 0.880 -1.963 3.525) 4.130 106.138 ( -1.042 -2.685 3.785) 4.756 106.364 ( 0.598 -3.186 5.498) 6.382 ======================= Grid point 269 (119/272) ======================= q-point: (-0.25 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -7.335 6.197 20.217) 22.382 1.454 ( -22.672 12.066 7.441) 26.739 2.128 ( -25.251 18.014 5.800) 31.555 3.024 ( 8.433 14.236 -1.520) 16.616 3.192 ( -3.612 0.089 2.700) 4.510 3.332 ( -6.026 -3.824 -3.578) 7.984 3.990 ( 3.051 8.961 -1.035) 9.523 4.030 ( 2.362 13.990 -4.299) 14.825 4.199 ( 0.614 5.000 -4.517) 6.766 4.635 ( 10.574 -0.802 0.878) 10.641 5.518 ( 9.974 -3.152 1.274) 10.538 6.183 ( 6.515 -8.006 6.273) 12.078 8.224 ( 4.222 5.759 0.279) 7.147 9.001 ( 8.136 -8.441 0.610) 11.740 9.313 ( 2.714 3.973 -0.373) 4.826 9.669 ( -3.168 -8.947 -0.633) 9.513 10.009 ( -14.301 2.280 -5.200) 15.387 10.651 ( 2.904 -2.233 -1.396) 3.920 10.899 ( 4.275 7.036 0.214) 8.236 11.600 ( -6.756 -0.062 -2.053) 7.061 12.196 ( -3.851 -2.594 -2.240) 5.155 12.610 ( -3.651 1.724 -0.182) 4.042 13.305 ( -7.136 -1.527 -1.667) 7.486 13.919 ( 9.153 -9.278 1.707) 13.144 16.984 ( 12.881 45.563 -6.320) 47.769 17.411 ( 3.463 6.174 1.126) 7.168 21.404 ( -3.758 -17.418 -2.029) 17.934 21.687 ( -1.899 -17.310 -1.351) 17.466 22.268 ( -4.556 13.228 1.066) 14.031 23.124 ( -19.350 11.686 -17.156) 28.377 24.297 ( 2.128 5.692 -0.836) 6.134 24.601 ( 6.581 2.788 2.054) 7.436 105.176 ( 0.451 -0.123 0.412) 0.623 105.447 ( -0.748 -3.106 1.229) 3.423 106.151 ( 0.215 -3.445 3.252) 4.742 106.459 ( 5.050 -5.240 10.065) 12.420 ======================= Grid point 270 (120/272) ======================= q-point: (-0.12 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -15.437 16.418 9.379) 24.410 1.225 ( -11.625 12.300 17.361) 24.245 1.658 ( -19.108 21.422 15.715) 32.725 3.114 ( -4.232 -0.053 -3.839) 5.714 3.148 ( 5.450 15.057 -3.735) 16.443 3.298 ( 1.181 -1.200 5.232) 5.496 3.991 ( -1.645 18.699 -2.697) 18.964 4.080 ( 4.311 10.895 -4.074) 12.405 4.223 ( 3.822 0.196 -2.788) 4.735 4.816 ( 6.187 -2.783 2.207) 7.134 5.745 ( 10.479 -5.392 0.337) 11.790 6.355 ( 4.866 -22.871 7.697) 24.617 8.400 ( 14.933 15.350 -1.071) 21.442 9.117 ( -4.222 -8.498 -0.667) 9.512 9.354 ( 2.129 3.251 -2.584) 4.667 9.537 ( -4.965 0.100 -3.331) 5.979 9.741 ( -7.642 7.723 -5.569) 12.209 10.592 ( -8.174 -3.677 -3.892) 9.772 10.945 ( -1.606 9.081 -0.902) 9.266 11.419 ( -3.560 -2.980 0.137) 4.645 12.168 ( -0.200 -2.721 3.594) 4.512 12.527 ( -3.803 -1.369 -0.565) 4.081 13.210 ( -2.134 -0.665 -0.064) 2.236 14.093 ( 6.134 -15.193 2.978) 16.653 17.162 ( 7.722 36.221 -19.672) 41.935 17.578 ( 13.771 34.636 -1.286) 37.296 21.306 ( -4.247 -19.493 -1.106) 19.981 21.601 ( -6.534 -15.848 -3.744) 17.546 22.198 ( -3.608 14.178 2.763) 14.889 22.571 ( -21.347 21.599 -8.925) 31.652 24.328 ( 1.134 1.585 -0.870) 2.134 24.727 ( 4.071 0.576 2.841) 4.998 105.190 ( 0.681 -0.122 0.589) 0.909 105.398 ( -4.260 -3.156 -0.496) 5.325 106.171 ( 0.139 -3.800 1.851) 4.229 106.668 ( 8.272 -12.160 10.334) 17.974 ======================= Grid point 271 (121/272) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -7.825 17.272 8.683) 20.855 1.424 ( -0.080 12.458 16.483) 20.662 2.178 ( 1.498 36.376 3.784) 36.602 3.041 ( -2.535 0.468 -0.323) 2.598 3.356 ( 3.621 0.934 3.444) 5.083 3.590 ( 1.251 21.394 -3.225) 21.672 4.262 ( 4.084 0.901 0.120) 4.184 4.365 ( -0.436 16.855 -6.794) 18.178 4.423 ( 1.733 17.845 -3.754) 18.318 4.804 ( 0.150 -4.762 1.260) 4.928 5.723 ( 2.919 -14.181 3.125) 14.812 5.861 ( -8.415 -11.868 2.885) 14.832 8.745 ( -14.299 0.770 -0.705) 14.337 8.896 ( 11.422 -4.835 -1.159) 12.457 9.335 ( -0.613 -12.768 0.054) 12.783 9.583 ( 1.141 8.256 0.857) 8.379 10.057 ( 6.848 20.968 -10.641) 24.491 10.224 ( -3.023 -8.769 0.415) 9.284 11.136 ( 1.509 9.354 1.719) 9.630 11.465 ( 0.361 3.784 -0.779) 3.880 12.117 ( 1.585 -2.105 2.959) 3.962 12.367 ( -3.924 -5.114 -1.604) 6.643 13.173 ( -0.143 -1.280 0.187) 1.301 13.919 ( 1.749 -10.013 1.364) 10.256 17.341 ( -4.157 9.415 -13.091) 16.652 18.889 ( 5.324 45.644 -22.986) 51.382 20.941 ( 5.549 -14.152 -3.489) 15.596 21.186 ( -6.411 -9.457 1.593) 11.536 22.445 ( 0.511 10.408 1.503) 10.528 22.843 ( 3.231 22.400 -0.236) 22.633 24.342 ( -2.403 3.256 -0.105) 4.048 24.784 ( -0.219 0.165 3.189) 3.200 105.209 ( 0.770 -0.140 1.225) 1.454 105.254 ( -3.932 -1.488 1.359) 4.419 106.088 ( 0.039 -4.737 0.900) 4.822 106.494 ( -1.166 -13.794 8.644) 16.320 ======================= Grid point 272 (122/272) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.173 13.870 9.313) 16.707 1.572 ( 4.880 7.681 16.269) 18.641 2.336 ( 9.525 30.684 0.893) 32.141 3.015 ( 1.015 3.972 2.094) 4.604 3.452 ( 4.541 1.883 0.548) 4.946 3.559 ( -3.019 20.323 -2.193) 20.663 4.270 ( -2.624 14.995 -3.717) 15.670 4.322 ( 0.126 5.694 -6.661) 8.763 4.457 ( 2.637 14.790 -0.710) 15.040 4.774 ( -4.015 -5.533 1.906) 7.097 5.639 ( -9.533 -13.267 4.026) 16.826 5.820 ( 0.759 -7.906 1.896) 8.165 8.424 ( -14.164 4.589 -0.466) 14.897 9.010 ( -4.029 -8.562 -0.110) 9.463 9.315 ( 3.532 -12.276 -0.852) 12.803 9.583 ( -1.462 9.623 0.528) 9.748 9.934 ( -0.669 1.813 -2.094) 2.850 10.597 ( 20.048 6.723 -6.160) 22.024 11.201 ( 4.992 5.156 1.397) 7.311 11.348 ( -8.775 2.585 0.509) 9.162 12.177 ( 1.209 -1.997 1.180) 2.616 12.367 ( 5.437 -2.422 -1.524) 6.144 13.175 ( 0.123 -1.721 0.115) 1.729 13.939 ( -0.592 -9.592 1.191) 9.683 17.164 ( -5.881 11.618 -11.643) 17.468 18.648 ( -14.718 47.166 -10.207) 50.452 20.966 ( -1.412 -12.704 -2.333) 12.994 21.234 ( 8.687 -16.918 -0.790) 19.034 22.488 ( 2.897 9.576 0.745) 10.032 23.041 ( 14.540 20.348 -4.565) 25.422 24.309 ( -0.883 3.844 0.836) 4.032 24.776 ( -2.023 1.497 2.661) 3.662 105.186 ( -2.630 -0.221 1.534) 3.052 105.245 ( 1.246 -0.076 1.667) 2.083 106.091 ( -0.134 -4.348 0.656) 4.399 106.471 ( -5.009 -12.184 7.282) 15.052 ======================= Grid point 273 (123/272) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 6.459 4.182 11.290) 13.663 1.786 ( 8.589 6.771 11.376) 15.781 2.455 ( 1.379 19.825 1.226) 19.910 3.179 ( 13.722 13.127 2.248) 19.122 3.438 ( -8.080 18.560 -0.281) 20.244 3.539 ( 4.193 2.658 -2.106) 5.393 4.176 ( -4.593 12.481 -2.482) 13.529 4.260 ( -1.595 7.004 -8.520) 11.144 4.505 ( 1.594 12.650 0.873) 12.780 4.661 ( -8.028 -3.515 1.944) 8.976 5.492 ( -6.126 -6.958 0.727) 9.299 5.835 ( -0.327 -7.168 2.532) 7.609 8.200 ( -7.738 3.504 0.148) 8.496 8.853 ( -8.274 -10.137 0.619) 13.100 9.400 ( 2.670 -8.831 -0.768) 9.258 9.545 ( -1.984 7.227 -0.253) 7.498 10.016 ( 8.270 -5.752 -1.157) 10.140 10.707 ( -5.475 6.551 -2.821) 8.992 11.148 ( -6.640 3.355 1.173) 7.531 11.493 ( 16.945 2.926 0.774) 17.214 12.181 ( 0.456 -5.957 -1.653) 6.199 12.521 ( 9.146 6.094 -1.877) 11.149 13.181 ( 0.695 -3.356 0.019) 3.428 13.903 ( -3.458 -8.111 0.471) 8.830 17.012 ( -3.508 13.365 -5.589) 14.905 18.307 ( -14.327 42.782 -3.106) 45.224 20.951 ( 1.340 -17.127 -1.648) 17.258 21.377 ( 5.051 -18.575 -1.344) 19.296 22.552 ( 2.947 7.156 -1.044) 7.809 23.301 ( 13.005 16.161 -5.926) 21.574 24.320 ( 1.308 7.332 1.714) 7.642 24.740 ( -2.336 5.837 1.391) 6.440 105.157 ( -1.003 0.316 0.994) 1.447 105.284 ( 1.292 -0.336 2.658) 2.974 106.091 ( -0.214 -4.028 0.707) 4.095 106.392 ( -5.887 -9.271 5.830) 12.434 ======================= Grid point 274 (124/272) ======================= q-point: ( 0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 2.666 3.183 11.099) 11.850 2.007 ( 6.131 5.158 8.895) 11.971 2.519 ( 6.859 14.736 3.118) 16.551 3.194 ( -13.577 19.782 1.120) 24.019 3.555 ( 18.112 10.693 0.403) 21.037 3.589 ( 2.345 4.084 -3.789) 6.044 4.039 ( -7.700 0.658 -2.707) 8.188 4.205 ( 0.767 14.798 -6.291) 16.098 4.444 ( -11.268 -1.432 2.526) 11.636 4.555 ( 0.321 15.055 -0.462) 15.066 5.391 ( -3.809 -3.602 -1.366) 5.417 5.848 ( 0.771 -5.315 1.533) 5.585 8.105 ( -2.090 0.627 0.782) 2.318 8.721 ( -4.889 -9.750 0.568) 10.922 9.416 ( 0.417 -1.239 -0.731) 1.498 9.503 ( -2.145 -0.435 -0.610) 2.272 10.203 ( 9.537 -9.313 -1.043) 13.370 10.521 ( -8.902 1.928 -0.424) 9.118 11.034 ( -5.853 2.225 0.810) 6.314 11.770 ( 7.672 11.802 1.812) 14.192 12.209 ( 3.371 -10.425 -2.174) 11.170 12.690 ( 8.272 11.112 -3.077) 14.190 13.217 ( 3.240 -6.632 0.130) 7.382 13.805 ( -5.973 -6.490 -0.559) 8.838 16.981 ( 1.897 14.785 0.880) 14.932 18.037 ( -10.545 36.509 -3.799) 38.191 20.995 ( 3.825 -19.899 -2.860) 20.464 21.424 ( 0.135 -18.662 0.512) 18.669 22.582 ( 0.866 4.611 -2.490) 5.311 23.492 ( 8.142 9.918 -3.022) 13.183 24.376 ( 2.908 11.457 2.151) 12.014 24.702 ( -1.561 11.887 -0.488) 11.999 105.152 ( -0.056 0.323 0.595) 0.679 105.324 ( 0.945 -0.817 3.455) 3.674 106.089 ( -0.538 -3.932 1.181) 4.141 106.312 ( -4.423 -6.978 4.270) 9.300 ======================= Grid point 275 (125/272) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -6.108 8.818 11.351) 15.617 2.128 ( 1.039 3.925 8.401) 9.330 2.747 ( 6.431 12.102 5.022) 14.596 2.939 ( -5.328 19.520 0.491) 20.240 3.553 ( -2.883 0.479 -6.247) 6.897 3.807 ( -8.804 1.310 -3.555) 9.584 3.936 ( 11.325 6.296 2.014) 13.113 4.188 ( -5.807 12.727 1.366) 14.056 4.259 ( 1.112 6.290 -4.809) 7.995 4.565 ( 0.522 15.927 -0.834) 15.957 5.326 ( -1.429 -2.113 -1.556) 2.988 5.887 ( 2.405 -4.509 0.782) 5.169 8.110 ( 1.733 -0.757 1.203) 2.241 8.662 ( -0.961 -8.689 0.309) 8.747 9.422 ( -0.609 9.771 -1.044) 9.846 9.463 ( -0.018 -12.390 -0.396) 12.396 10.344 ( 1.916 -14.435 -0.646) 14.576 10.400 ( -0.698 4.369 0.016) 4.424 10.928 ( -3.850 2.731 0.466) 4.743 11.848 ( 0.550 14.034 1.395) 14.114 12.247 ( 0.120 -9.439 -1.418) 9.545 12.793 ( 2.881 10.152 -2.740) 10.903 13.322 ( 6.169 -9.401 0.222) 11.247 13.669 ( -5.959 -4.213 -1.712) 7.496 17.104 ( 8.614 18.154 5.574) 20.853 17.834 ( -6.445 30.711 -7.035) 32.159 21.060 ( 4.118 -20.150 -4.257) 21.003 21.399 ( -2.963 -18.704 2.070) 19.050 22.567 ( -0.761 4.063 -2.651) 4.911 23.593 ( 2.696 4.295 -1.205) 5.212 24.447 ( 2.684 13.759 1.707) 14.122 24.674 ( -0.598 15.869 -1.686) 15.970 105.157 ( 0.262 0.162 0.392) 0.499 105.358 ( 0.408 -1.554 3.849) 4.171 106.080 ( -1.156 -3.983 1.928) 4.573 106.268 ( -1.831 -5.619 3.351) 6.794 ======================= Grid point 276 (126/272) ======================= q-point: (-0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -8.586 11.578 13.719) 19.899 2.052 ( -13.985 8.964 6.982) 18.019 2.695 ( -3.162 13.359 4.039) 14.310 3.140 ( 12.560 16.924 1.224) 21.111 3.417 ( -6.461 -2.737 -6.014) 9.242 3.501 ( -16.463 9.343 1.179) 18.966 4.048 ( -0.188 -0.138 -3.391) 3.399 4.189 ( 6.208 13.513 -0.743) 14.889 4.381 ( 8.908 8.590 -0.291) 12.379 4.567 ( 0.984 14.556 -2.845) 14.864 5.331 ( 2.778 -2.386 -0.616) 3.713 5.948 ( 2.762 -5.634 1.609) 6.477 8.183 ( 4.916 0.717 1.006) 5.069 8.693 ( 3.886 -8.153 0.488) 9.044 9.386 ( -1.237 1.746 -0.923) 2.330 9.493 ( 1.885 -5.689 -0.510) 6.014 10.222 ( -10.002 -8.374 -1.156) 13.096 10.515 ( 8.696 2.425 -0.125) 9.029 10.920 ( 2.663 3.499 0.832) 4.475 11.818 ( -5.406 9.052 1.462) 10.644 12.191 ( -3.664 -8.060 -2.682) 9.251 12.776 ( -2.991 6.927 -1.808) 7.758 13.365 ( -3.659 -8.219 -0.722) 9.026 13.632 ( 4.614 -3.409 -1.099) 5.842 17.389 ( 14.648 20.039 8.538) 26.249 17.708 ( 0.270 30.151 -11.719) 32.349 21.096 ( 1.188 -18.422 -4.559) 19.015 21.347 ( -2.556 -18.776 2.068) 19.062 22.530 ( -1.533 5.646 -1.789) 6.118 23.568 ( -4.463 3.938 -3.580) 6.945 24.491 ( 0.770 13.657 0.309) 13.682 24.663 ( 0.412 13.513 -0.775) 13.542 105.165 ( 0.325 0.012 0.309) 0.449 105.380 ( -0.354 -2.572 3.601) 4.439 106.068 ( -1.055 -4.069 2.329) 4.806 106.274 ( 0.373 -5.467 4.294) 6.961 ======================= Grid point 277 (127/272) ======================= q-point: (-0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -7.028 10.431 16.233) 20.536 1.729 ( -18.361 15.160 6.359) 24.645 2.598 ( -11.860 24.044 2.037) 26.887 3.195 ( -6.656 4.128 3.141) 8.438 3.271 ( -3.799 -1.140 -1.031) 4.099 3.419 ( 7.736 20.451 -1.574) 21.922 4.064 ( 3.809 -1.168 -3.252) 5.143 4.292 ( 4.726 15.087 -1.817) 15.914 4.481 ( 0.351 15.903 -2.371) 16.083 4.634 ( 7.064 2.388 -1.448) 7.596 5.433 ( 6.997 -4.977 0.292) 8.591 6.001 ( 0.647 -9.218 3.310) 9.815 8.333 ( 9.850 3.959 0.438) 10.625 8.823 ( 8.209 -7.835 0.654) 11.367 9.362 ( -1.495 -4.672 -0.599) 4.942 9.516 ( 0.787 -0.270 -0.546) 0.995 9.991 ( -10.041 -3.860 -1.607) 10.877 10.697 ( 7.355 6.329 -2.272) 9.966 11.024 ( 6.659 5.131 1.127) 8.482 11.590 ( -16.744 -1.460 -0.111) 16.808 12.124 ( -1.166 -4.363 -1.876) 4.890 12.666 ( -6.711 3.756 -1.347) 7.807 13.257 ( -4.678 -3.329 -0.976) 5.823 13.754 ( 5.926 -6.573 0.255) 8.853 17.540 ( -0.992 9.485 -4.635) 10.604 17.967 ( 29.324 43.676 -5.840) 52.930 21.043 ( -4.188 -17.196 -2.349) 17.854 21.335 ( 0.666 -16.454 -1.226) 16.513 22.487 ( -1.986 8.100 -0.447) 8.352 23.353 ( -13.728 10.024 -7.405) 18.541 24.471 ( -2.383 11.323 -1.193) 11.633 24.692 ( 2.066 6.462 1.815) 7.023 105.174 ( 0.440 -0.060 0.340) 0.559 105.377 ( -1.855 -3.471 2.594) 4.714 106.067 ( -0.214 -4.458 2.170) 4.962 106.330 ( 2.072 -7.108 7.067) 10.235 ======================= Grid point 278 (128/272) ======================= q-point: (-0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -6.502 7.357 17.827) 20.352 1.464 ( -10.051 21.183 6.345) 24.290 2.301 ( -14.467 36.044 3.327) 38.981 3.104 ( -3.288 -0.386 -1.549) 3.655 3.274 ( 1.890 -0.131 5.025) 5.371 3.544 ( 5.042 22.093 -2.877) 22.843 4.156 ( 5.888 -0.601 -1.276) 6.054 4.361 ( 2.752 15.023 -1.444) 15.341 4.445 ( -0.464 19.210 -6.696) 20.349 4.754 ( 4.263 -2.552 0.531) 4.997 5.593 ( 7.663 -9.147 0.941) 11.970 5.987 ( -4.613 -13.674 4.124) 15.009 8.588 ( 14.579 3.265 -0.286) 14.943 8.964 ( 0.717 -5.922 -0.071) 5.966 9.303 ( -1.047 -10.378 -0.644) 10.451 9.542 ( 2.075 5.892 0.199) 6.250 9.881 ( 2.274 2.655 -2.913) 4.551 10.623 ( -15.808 6.036 -6.482) 18.121 11.118 ( -0.345 7.738 1.051) 7.817 11.377 ( 2.587 -0.494 0.872) 2.774 12.106 ( -0.752 -3.686 0.914) 3.872 12.505 ( -7.861 -0.419 -1.293) 7.978 13.189 ( -1.737 -1.476 -0.191) 2.287 13.856 ( 3.767 -8.819 0.995) 9.641 17.466 ( -1.901 9.025 -10.416) 13.912 18.580 ( 32.410 44.507 -16.127) 57.370 20.938 ( -3.823 -16.224 -1.271) 16.717 21.314 ( -2.943 -11.488 -3.085) 12.254 22.451 ( -1.513 9.911 0.893) 10.066 22.990 ( -15.280 19.260 -4.226) 24.945 24.403 ( -3.206 6.348 -0.937) 7.173 24.749 ( 1.767 1.787 3.094) 3.986 105.188 ( 0.696 -0.069 0.579) 0.908 105.330 ( -3.797 -3.163 1.641) 5.207 106.079 ( 0.206 -4.853 1.473) 5.076 106.426 ( 2.371 -11.113 9.208) 14.626 ======================= Grid point 279 (129/272) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -4.630 6.659 11.212) 13.838 1.867 ( -2.088 24.438 3.772) 24.816 2.788 ( -1.166 16.268 -0.695) 16.325 3.086 ( -0.302 7.318 -0.347) 7.333 3.467 ( 4.141 13.085 5.845) 14.918 3.994 ( -0.319 15.198 -3.840) 15.679 4.284 ( 5.424 5.065 1.696) 7.613 4.608 ( -1.614 0.957 -0.258) 1.894 4.776 ( -0.223 15.041 -0.477) 15.051 4.827 ( 1.718 13.212 -6.553) 14.847 5.449 ( -0.223 -11.524 1.436) 11.615 5.683 ( -3.492 -7.763 1.219) 8.599 8.697 ( -10.246 -6.762 -1.723) 12.397 8.740 ( 8.622 -9.964 -1.143) 13.226 9.132 ( -2.254 -4.583 0.514) 5.133 9.753 ( 1.140 8.454 1.653) 8.690 10.095 ( 1.196 -3.726 0.281) 3.923 10.345 ( 0.798 7.537 -1.575) 7.741 11.302 ( 0.391 6.768 1.484) 6.940 11.548 ( -1.225 3.163 0.130) 3.395 12.119 ( 10.436 2.541 -1.523) 10.849 12.277 ( -8.609 -3.190 -2.313) 9.468 13.140 ( -0.244 -2.068 -0.115) 2.086 13.746 ( 1.251 -7.398 -0.198) 7.506 17.522 ( -3.612 8.953 -10.908) 14.567 19.479 ( 5.360 13.217 -9.797) 17.303 20.713 ( 7.474 -8.523 -4.491) 12.193 21.116 ( -7.765 2.844 -0.512) 8.285 22.585 ( 0.392 4.173 -1.265) 4.378 23.252 ( 2.221 17.484 1.629) 17.700 24.471 ( -3.268 9.337 -0.793) 9.924 24.799 ( -0.196 1.608 2.841) 3.270 105.207 ( 0.267 -0.016 1.283) 1.311 105.232 ( -2.041 -0.680 1.383) 2.558 105.994 ( 0.358 -4.445 0.237) 4.466 106.248 ( -1.087 -10.763 6.016) 12.378 ======================= Grid point 280 (130/272) ======================= q-point: ( 0.12 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -2.114 7.661 8.935) 11.958 1.879 ( 1.619 20.744 5.932) 21.636 2.776 ( -1.705 9.640 1.084) 9.849 3.173 ( 9.629 11.343 -0.731) 14.897 3.588 ( 4.920 14.133 3.466) 15.361 3.932 ( -4.197 13.868 -2.040) 14.632 4.345 ( -0.536 5.724 -0.481) 5.769 4.537 ( -4.058 -0.306 -2.019) 4.542 4.753 ( -1.845 12.802 -0.576) 12.947 4.828 ( 1.441 16.234 -3.938) 16.767 5.415 ( -3.256 -9.057 2.098) 9.851 5.662 ( 0.394 -7.818 0.937) 7.883 8.449 ( -11.182 -2.666 -0.692) 11.516 8.880 ( -2.455 -4.450 -0.874) 5.157 9.041 ( 0.896 -12.334 -0.267) 12.370 9.756 ( -1.331 6.241 0.950) 6.452 9.918 ( -6.441 -0.349 0.367) 6.461 10.744 ( 22.955 4.870 -1.612) 23.521 11.274 ( -3.070 2.925 2.030) 4.701 11.394 ( -11.023 2.182 0.133) 11.237 12.124 ( -2.558 -4.974 -1.019) 5.686 12.420 ( 15.493 8.077 -2.870) 17.706 13.128 ( -1.065 -2.968 -0.007) 3.153 13.761 ( 0.156 -7.959 -0.178) 7.963 17.386 ( -3.766 10.848 -9.868) 15.141 19.365 ( -9.963 21.622 -6.424) 24.658 20.814 ( -0.733 -3.530 -7.030) 7.900 20.956 ( -1.842 -8.255 3.823) 9.282 22.598 ( 1.505 2.266 -1.433) 3.075 23.395 ( 9.133 14.111 -0.409) 16.813 24.452 ( 1.494 10.005 0.282) 10.120 24.830 ( 2.056 4.227 2.013) 5.113 105.186 ( -1.769 0.175 1.268) 2.184 105.244 ( 1.099 -0.073 1.544) 1.896 106.001 ( 0.250 -4.413 0.016) 4.421 106.240 ( -2.749 -10.557 5.368) 12.158 ======================= Grid point 281 (131/272) ======================= q-point: ( 0.25 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 3.056 7.320 8.779) 11.832 2.003 ( 6.426 14.199 6.629) 16.936 2.727 ( -3.054 7.735 2.862) 8.794 3.413 ( 12.003 5.911 -1.754) 13.495 3.686 ( 1.807 16.252 1.008) 16.384 3.823 ( -3.404 15.667 -0.022) 16.032 4.228 ( -9.495 0.169 -3.030) 9.968 4.464 ( -1.367 3.859 -3.620) 5.465 4.693 ( -4.054 13.582 0.799) 14.197 4.848 ( 1.657 16.511 -0.545) 16.603 5.365 ( -2.221 -5.435 0.198) 5.874 5.691 ( 1.767 -6.852 0.784) 7.120 8.253 ( -7.835 0.816 0.173) 7.879 8.698 ( -9.461 -3.775 0.510) 10.199 9.150 ( 5.236 -13.535 -1.164) 14.559 9.726 ( -1.955 7.213 -0.129) 7.474 9.879 ( 2.242 -5.463 -0.413) 5.920 10.866 ( -11.308 7.652 -0.406) 13.660 11.175 ( -6.254 0.377 1.755) 6.506 11.482 ( 19.840 -3.626 0.544) 20.176 12.094 ( -0.617 -3.613 -1.249) 3.872 12.705 ( 13.342 10.842 -2.796) 17.418 13.096 ( -1.816 -4.775 0.176) 5.112 13.744 ( -1.871 -7.178 -0.358) 7.426 17.286 ( -1.306 13.838 -5.293) 14.874 19.075 ( -14.453 30.615 -4.523) 34.156 20.687 ( -4.596 -8.180 -1.628) 9.522 21.029 ( 3.524 -15.687 -0.110) 16.078 22.618 ( 1.080 0.408 -2.052) 2.355 23.545 ( 5.316 7.555 -1.097) 9.303 24.529 ( 5.114 13.001 2.103) 14.128 24.905 ( 4.477 10.393 0.117) 11.317 105.165 ( -0.775 0.550 0.753) 1.213 105.276 ( 0.975 -0.422 2.286) 2.521 106.004 ( 0.037 -4.415 0.069) 4.416 106.203 ( -3.283 -9.124 4.216) 10.573 ======================= Grid point 282 (132/272) ======================= q-point: ( 0.38 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 5.591 6.304 10.163) 13.201 2.158 ( 3.835 9.544 6.801) 12.331 2.747 ( 4.778 8.076 3.284) 9.942 3.446 ( -10.127 3.859 0.384) 10.845 3.673 ( 0.634 8.464 -2.452) 8.835 3.918 ( 6.800 14.010 0.838) 15.595 4.003 ( -5.456 3.213 -5.631) 8.473 4.422 ( -1.932 6.192 -2.750) 7.046 4.607 ( -4.141 17.061 0.936) 17.581 4.880 ( 1.032 16.029 1.177) 16.105 5.322 ( -1.665 -2.971 -1.730) 3.820 5.737 ( 2.411 -5.416 0.315) 5.937 8.139 ( -3.535 2.297 0.737) 4.280 8.560 ( -4.392 -5.259 0.614) 6.879 9.208 ( 1.487 -11.874 -0.916) 12.002 9.678 ( -2.092 9.947 -1.222) 10.238 9.974 ( 6.008 -11.735 -0.738) 13.204 10.596 ( -11.556 3.913 0.490) 12.210 11.071 ( -5.150 2.381 1.543) 5.880 11.876 ( 15.240 -6.423 0.586) 16.548 12.078 ( 0.046 1.977 -1.100) 2.263 12.881 ( 3.318 2.345 -1.116) 4.214 13.101 ( 4.342 -0.138 -1.052) 4.470 13.679 ( -4.051 -5.406 -0.660) 6.787 17.298 ( 4.041 16.459 0.856) 16.969 18.758 ( -13.311 32.812 -6.557) 36.011 20.642 ( 1.098 -14.549 -2.763) 14.849 21.065 ( -0.290 -16.816 1.343) 16.872 22.617 ( 0.194 -0.216 -2.464) 2.481 23.604 ( 1.311 1.516 0.143) 2.009 24.657 ( 5.208 15.762 3.658) 16.998 24.994 ( 4.162 16.196 -1.761) 16.815 105.160 ( -0.134 0.525 0.404) 0.676 105.306 ( 0.477 -0.972 2.889) 3.085 106.002 ( -0.394 -4.510 0.425) 4.547 106.163 ( -2.397 -7.477 3.009) 8.408 ======================= Grid point 283 (133/272) ======================= q-point: (-0.50 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -1.101 9.710 10.609) 14.424 2.239 ( 1.321 6.682 7.323) 10.001 2.913 ( 3.059 4.616 4.900) 7.395 3.233 ( -3.885 8.610 1.177) 9.519 3.562 ( -7.822 -0.397 -7.131) 10.592 3.865 ( -1.223 4.174 -2.697) 5.118 4.161 ( 8.880 15.630 -1.472) 18.036 4.321 ( -5.923 8.914 -0.196) 10.704 4.579 ( 1.582 17.704 -0.797) 17.792 4.895 ( -0.427 15.537 1.483) 15.614 5.284 ( -0.589 -1.731 -2.494) 3.093 5.788 ( 2.398 -5.065 0.074) 5.604 8.120 ( 1.268 1.820 0.912) 2.399 8.522 ( 0.215 -4.630 0.577) 4.671 9.216 ( -0.102 -11.840 -0.756) 11.864 9.637 ( -1.007 11.269 -1.680) 11.438 10.058 ( 1.574 -13.706 -0.624) 13.810 10.475 ( 0.086 2.615 0.700) 2.708 10.992 ( -2.758 4.260 1.228) 5.221 12.021 ( 1.134 -12.054 -1.395) 12.188 12.099 ( -0.955 9.677 1.001) 9.776 12.879 ( -0.945 -7.134 0.576) 7.219 13.218 ( 5.415 3.967 -2.377) 7.121 13.592 ( -3.144 -3.059 -0.891) 4.476 17.462 ( 9.737 17.470 6.206) 20.941 18.486 ( -7.998 31.649 -10.643) 34.335 20.686 ( 4.698 -16.406 -4.415) 17.627 21.038 ( -3.243 -16.978 2.951) 17.535 22.606 ( 0.182 0.461 -2.523) 2.572 23.618 ( -0.162 -1.386 1.152) 1.810 24.756 ( 2.169 16.337 3.737) 16.899 25.035 ( 0.642 18.775 -2.502) 18.952 105.162 ( 0.128 0.352 0.228) 0.438 105.325 ( -0.217 -1.638 3.219) 3.619 105.993 ( -0.819 -4.504 0.838) 4.654 106.144 ( -0.870 -6.432 2.362) 6.907 ======================= Grid point 284 (134/272) ======================= q-point: (-0.38 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -7.255 12.208 10.187) 17.477 2.247 ( -6.817 10.202 6.747) 14.003 2.829 ( -5.041 0.398 4.707) 6.909 3.373 ( -6.183 -0.505 -4.808) 7.849 3.431 ( 14.282 9.269 1.119) 17.063 3.800 ( -5.325 17.010 -1.308) 17.872 4.109 ( -5.352 8.142 -4.049) 10.551 4.390 ( 7.463 8.760 0.378) 11.514 4.640 ( 4.204 15.920 -0.680) 16.479 4.878 ( -1.532 14.568 0.399) 14.654 5.282 ( 1.782 -2.052 -2.106) 3.439 5.828 ( 1.122 -6.055 0.322) 6.167 8.197 ( 5.651 0.513 0.799) 5.731 8.578 ( 5.169 -2.505 0.704) 5.787 9.197 ( -1.290 -12.126 -0.810) 12.221 9.623 ( 0.536 10.251 -1.411) 10.361 10.012 ( -5.339 -11.100 -0.571) 12.331 10.604 ( 11.445 4.787 0.330) 12.410 10.994 ( 2.356 4.342 1.361) 5.124 11.918 ( -15.264 -3.972 1.157) 15.815 12.035 ( -0.147 -2.877 -1.694) 3.341 12.860 ( -2.066 -1.440 -0.458) 2.559 13.236 ( -2.076 -1.829 -1.545) 3.168 13.586 ( 2.942 -1.137 -0.981) 3.304 17.699 ( 7.093 13.930 6.428) 16.902 18.385 ( 7.233 32.064 -12.108) 35.029 20.757 ( 3.564 -14.727 -4.805) 15.896 20.991 ( -1.659 -16.283 3.138) 16.666 22.600 ( 0.545 1.844 -2.313) 3.008 23.602 ( -2.332 -0.337 0.708) 2.461 24.781 ( -1.379 14.830 2.582) 15.116 24.986 ( -4.136 17.324 -2.185) 17.945 105.167 ( 0.247 0.203 0.186) 0.370 105.331 ( -1.045 -2.270 3.178) 4.042 105.982 ( -0.677 -4.314 0.985) 4.477 106.152 ( 0.218 -6.424 2.835) 7.025 ======================= Grid point 285 (135/272) ======================= q-point: (-0.25 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -8.343 10.852 10.527) 17.269 2.060 ( -11.449 17.287 4.155) 21.146 2.840 ( 1.253 -0.698 3.901) 4.156 3.262 ( -3.039 1.268 -2.154) 3.935 3.505 ( -10.283 24.233 1.639) 26.375 3.821 ( 10.859 16.786 0.860) 20.011 4.049 ( 1.616 1.831 -4.752) 5.343 4.522 ( 5.279 5.725 0.122) 7.789 4.719 ( 3.421 14.120 -0.214) 14.530 4.847 ( -0.875 13.735 -1.923) 13.896 5.332 ( 3.765 -4.560 -1.250) 6.044 5.827 ( -1.636 -7.829 0.729) 8.031 8.345 ( 8.333 -3.038 0.217) 8.872 8.745 ( 10.586 1.004 0.843) 10.667 9.146 ( -3.834 -12.817 -0.962) 13.413 9.645 ( 2.146 9.047 -0.406) 9.307 9.886 ( -5.063 -5.879 -0.412) 7.770 10.864 ( 10.310 9.255 -0.940) 13.887 11.102 ( 7.888 2.749 1.589) 8.503 11.526 ( -20.796 -4.805 1.176) 21.376 12.023 ( -0.407 -5.810 -1.830) 6.105 12.750 ( -8.301 3.936 -1.834) 9.369 13.178 ( -2.170 -3.947 -0.585) 4.542 13.656 ( 3.620 -3.213 -0.663) 4.885 17.740 ( -2.206 10.555 -3.387) 11.303 18.701 ( 26.109 28.310 -6.826) 39.111 20.735 ( -3.317 -13.124 -1.414) 13.611 21.051 ( 6.154 -11.374 -0.925) 12.965 22.598 ( 0.358 3.446 -1.946) 3.974 23.510 ( -7.139 5.364 -0.475) 8.942 24.727 ( -5.110 13.166 0.163) 14.124 24.869 ( -5.388 11.142 0.160) 12.377 105.175 ( 0.427 0.139 0.283) 0.531 105.316 ( -2.054 -2.517 2.745) 4.253 105.979 ( -0.142 -4.253 0.914) 4.352 106.181 ( 0.699 -7.463 4.220) 8.602 ======================= Grid point 286 (136/272) ======================= q-point: (-0.12 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -7.380 8.324 11.570) 16.051 1.910 ( -4.840 22.348 2.945) 23.055 2.845 ( -2.761 8.383 1.272) 8.917 3.161 ( -5.691 8.116 -2.906) 10.330 3.385 ( -0.902 17.412 6.663) 18.665 3.983 ( 4.239 19.047 -4.415) 20.007 4.133 ( 7.490 0.139 1.372) 7.616 4.601 ( 2.098 3.272 0.575) 3.929 4.767 ( 1.470 14.458 -0.633) 14.547 4.829 ( 0.958 12.771 -4.783) 13.671 5.406 ( 3.520 -8.637 -0.205) 9.329 5.768 ( -4.471 -8.722 1.131) 9.866 8.529 ( 9.888 -7.999 -0.808) 12.744 8.909 ( -2.582 -1.872 -0.716) 3.268 9.074 ( 2.943 -8.603 0.153) 9.094 9.701 ( 2.850 8.728 1.007) 9.236 9.881 ( 6.463 -1.121 -0.075) 6.560 10.736 ( -21.774 3.082 -1.978) 22.080 11.248 ( 2.743 5.083 2.397) 6.253 11.416 ( 10.939 4.241 -0.056) 11.732 12.010 ( 1.101 -5.788 -1.558) 6.095 12.523 ( -12.192 2.397 -2.191) 12.617 13.148 ( -0.684 -2.593 -0.242) 2.693 13.713 ( 2.252 -5.715 -0.361) 6.153 17.645 ( -3.152 9.114 -8.788) 13.047 19.211 ( 24.603 18.459 -8.706) 31.966 20.666 ( -1.361 -10.553 -1.196) 10.707 21.162 ( 3.906 -3.475 -2.705) 5.886 22.592 ( -0.047 4.595 -1.580) 4.859 23.329 ( -8.888 13.877 0.363) 16.483 24.586 ( -6.994 11.367 -1.344) 13.414 24.805 ( -2.017 3.947 2.640) 5.159 105.188 ( 0.689 0.127 0.575) 0.906 105.278 ( -2.857 -1.951 2.133) 4.064 105.985 ( 0.279 -4.376 0.617) 4.428 106.221 ( 0.373 -9.321 5.623) 10.892 ======================= Grid point 287 (137/272) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -2.992 7.182 4.637) 9.057 2.350 ( -0.980 23.158 1.689) 23.240 2.819 ( -0.451 -5.711 4.628) 7.365 3.292 ( 1.301 9.692 -2.510) 10.096 3.886 ( 1.918 20.389 2.416) 20.621 4.135 ( 0.247 6.268 -2.018) 6.590 4.457 ( 4.896 -1.419 0.199) 5.101 4.610 ( -3.848 11.050 0.261) 11.704 5.071 ( 0.170 12.431 -2.741) 12.731 5.116 ( 2.665 12.740 -1.866) 13.148 5.268 ( 0.383 -6.021 -0.960) 6.109 5.544 ( -3.900 -5.546 1.186) 6.883 8.487 ( 9.144 -12.576 -1.823) 15.655 8.524 ( -9.741 -10.372 -2.014) 14.371 9.162 ( -3.287 5.942 0.595) 6.817 9.913 ( -0.259 7.011 1.159) 7.111 10.064 ( 0.005 0.393 0.681) 0.786 10.401 ( 1.722 -0.927 3.485) 3.996 11.390 ( -1.332 1.518 0.393) 2.058 11.549 ( -0.585 -3.102 0.752) 3.245 12.211 ( 10.463 4.689 -2.408) 11.715 12.275 ( -6.053 4.673 -2.696) 8.108 13.091 ( -0.391 -2.633 -0.345) 2.685 13.611 ( 0.282 -6.299 -0.631) 6.336 17.715 ( -3.061 10.513 -9.780) 14.681 19.509 ( 3.480 -7.253 -1.000) 8.107 20.595 ( 6.070 -3.186 -4.310) 8.097 21.224 ( -3.828 4.717 0.289) 6.082 22.668 ( -0.402 5.591 -2.754) 6.245 23.525 ( 0.899 9.099 3.725) 9.873 24.691 ( -3.729 11.634 -1.179) 12.273 24.860 ( 0.655 4.549 1.596) 4.865 105.208 ( -0.187 0.137 1.215) 1.236 105.224 ( -0.679 -0.203 1.221) 1.412 105.912 ( 0.433 -3.720 -0.280) 3.755 106.056 ( -0.825 -8.326 3.066) 8.911 ======================= Grid point 288 (138/272) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.694 8.290 3.657) 9.088 2.322 ( -2.128 22.077 2.581) 22.329 2.820 ( -1.658 -2.292 4.129) 5.005 3.364 ( 6.496 7.881 -1.438) 10.314 3.940 ( 0.376 9.970 1.018) 10.029 4.130 ( 1.479 15.176 -0.888) 15.273 4.401 ( -9.114 -7.603 -0.268) 11.872 4.602 ( 2.206 14.154 -1.420) 14.395 5.033 ( -2.299 12.951 -0.500) 13.163 5.157 ( 2.235 14.337 -3.223) 14.864 5.273 ( -0.098 -4.804 0.350) 4.818 5.514 ( 0.796 -6.510 0.973) 6.630 8.336 ( -7.324 -7.236 -1.623) 10.422 8.680 ( 10.209 -13.572 -1.873) 17.087 8.997 ( -12.045 5.638 1.061) 13.341 9.787 ( -8.421 -1.462 0.502) 8.562 10.002 ( -2.424 7.044 1.416) 7.583 10.755 ( 20.980 -3.134 2.319) 21.339 11.289 ( -6.507 -1.542 0.467) 6.704 11.491 ( -8.249 6.831 0.415) 10.718 11.999 ( -5.170 -6.050 -1.889) 8.179 12.616 ( 17.619 9.320 -2.573) 20.098 13.061 ( -2.146 -3.090 -0.197) 3.767 13.620 ( 0.856 -6.041 -0.674) 6.138 17.617 ( -1.404 12.436 -8.531) 15.146 19.523 ( -0.874 -3.318 -1.602) 3.787 20.685 ( 4.693 -6.749 -5.037) 9.641 21.003 ( -16.624 7.031 2.392) 18.208 22.642 ( -0.457 3.787 -2.291) 4.450 23.589 ( 2.202 5.005 2.823) 6.154 24.687 ( 3.628 12.649 0.106) 13.159 24.951 ( 7.398 7.549 0.589) 10.586 105.192 ( -1.181 0.453 1.015) 1.622 105.242 ( 0.876 -0.117 1.405) 1.660 105.917 ( 0.301 -3.840 -0.436) 3.876 106.049 ( -1.415 -8.277 2.903) 8.885 ======================= Grid point 289 (139/272) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 3.429 8.952 3.639) 10.254 2.326 ( 0.839 16.809 4.258) 17.361 2.811 ( -0.606 1.534 3.204) 3.604 3.492 ( 5.207 3.603 -1.193) 6.443 3.872 ( -6.298 1.634 1.645) 6.712 4.139 ( -11.872 -1.984 0.402) 12.043 4.243 ( 5.894 18.246 -3.896) 19.566 4.624 ( 1.091 12.224 -2.555) 12.536 4.984 ( -3.109 12.929 1.887) 13.431 5.162 ( -0.334 12.909 0.003) 12.913 5.282 ( 1.381 -1.778 -1.463) 2.685 5.568 ( 3.577 -5.064 -0.242) 6.205 8.219 ( -3.489 -3.231 -0.670) 4.802 8.720 ( -10.951 4.516 0.756) 11.870 8.883 ( 6.448 -12.068 -1.083) 13.725 9.682 ( -1.932 -6.900 0.255) 7.170 9.954 ( -2.432 8.403 -0.242) 8.751 10.934 ( -10.927 -1.954 1.988) 11.277 11.240 ( -2.371 6.263 0.673) 6.731 11.392 ( 10.310 -3.320 0.092) 10.832 11.997 ( 3.752 -6.478 -1.012) 7.554 12.834 ( 0.941 -2.559 -0.665) 2.807 13.071 ( 7.150 6.067 -1.393) 9.480 13.628 ( 0.014 -4.163 -0.724) 4.225 17.579 ( 1.680 15.541 -4.770) 16.343 19.456 ( -4.528 6.696 -4.173) 9.097 20.634 ( -12.433 1.115 -2.731) 12.779 20.759 ( -1.594 -9.980 2.091) 10.321 22.626 ( -0.095 1.756 -2.041) 2.694 23.609 ( -1.568 -0.792 2.144) 2.772 24.820 ( 7.805 15.171 2.344) 17.221 25.138 ( 10.191 11.957 -0.937) 15.738 105.178 ( -0.621 0.709 0.573) 1.104 105.267 ( 0.615 -0.524 1.855) 2.023 105.918 ( 0.019 -4.014 -0.385) 4.032 106.033 ( -1.453 -7.485 2.322) 7.970 ======================= Grid point 290 (140/272) ======================= q-point: ( 0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 6.030 7.125 5.764) 10.970 2.369 ( -0.266 10.511 5.292) 11.771 2.866 ( 5.194 4.423 1.992) 7.107 3.479 ( -6.975 1.199 -0.748) 7.116 3.759 ( -8.018 -0.914 0.686) 8.099 3.892 ( -5.475 -3.043 -1.794) 6.516 4.392 ( 8.319 21.571 -2.663) 23.272 4.625 ( 0.352 12.982 -2.585) 13.242 4.926 ( -3.348 13.312 2.294) 13.917 5.159 ( -0.876 9.477 2.680) 9.887 5.297 ( 1.200 2.599 -3.509) 4.528 5.637 ( 3.257 -4.319 -0.588) 5.441 8.179 ( -0.709 1.581 0.285) 1.756 8.535 ( -6.380 2.832 0.854) 7.032 8.976 ( 2.748 -10.869 -1.150) 11.270 9.701 ( 3.029 -10.673 0.026) 11.095 9.915 ( -0.713 9.041 -1.471) 9.188 10.646 ( -13.450 0.738 0.927) 13.502 11.164 ( -3.709 7.307 1.752) 8.380 11.659 ( 9.826 -11.752 -0.528) 15.328 12.121 ( 8.653 -1.193 -0.126) 8.735 12.720 ( -9.101 -12.504 1.033) 15.500 13.263 ( 9.823 10.600 -2.438) 14.656 13.605 ( -1.988 -1.797 -0.565) 2.738 17.645 ( 6.031 18.051 0.368) 19.036 19.281 ( -9.214 17.439 -7.901) 21.247 20.425 ( -5.001 -6.685 -1.670) 8.514 20.752 ( -1.314 -13.969 1.629) 14.125 22.615 ( 0.174 0.965 -1.900) 2.138 23.573 ( -2.465 -4.143 2.244) 5.317 24.988 ( 6.149 16.544 4.075) 18.114 25.317 ( 7.391 15.012 -1.986) 16.850 105.172 ( -0.225 0.678 0.259) 0.760 105.285 ( 0.081 -1.048 2.201) 2.439 105.914 ( -0.314 -4.143 -0.149) 4.158 106.020 ( -0.876 -6.496 1.640) 6.757 ======================= Grid point 291 (141/272) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 2.963 6.350 7.522) 10.280 2.375 ( -0.726 6.078 5.244) 8.060 2.976 ( -1.191 2.771 1.954) 3.594 3.323 ( -1.485 1.866 1.163) 2.653 3.544 ( -8.315 -0.666 -5.013) 9.732 3.914 ( 3.691 0.179 0.631) 3.749 4.516 ( 4.076 18.214 -3.356) 18.963 4.599 ( -1.420 16.976 -1.173) 17.076 4.895 ( -0.314 12.834 1.783) 12.962 5.143 ( -2.290 6.927 2.858) 7.836 5.295 ( 0.809 5.205 -3.815) 6.504 5.690 ( 2.222 -4.397 -0.560) 4.958 8.181 ( 0.534 4.077 0.592) 4.154 8.488 ( 1.418 1.324 0.752) 2.081 8.991 ( -0.360 -10.334 -1.008) 10.389 9.761 ( 1.709 -10.638 -0.030) 10.774 9.900 ( -0.346 9.553 -1.830) 9.732 10.502 ( 0.492 0.299 0.803) 0.988 11.116 ( -1.842 8.045 1.646) 8.416 11.762 ( 1.633 -12.824 -0.788) 12.951 12.232 ( -3.509 2.724 0.081) 4.443 12.589 ( -0.004 -18.120 1.653) 18.196 13.388 ( 2.321 9.418 -3.069) 10.174 13.559 ( -0.928 0.037 0.039) 0.930 17.817 ( 8.704 17.973 4.834) 20.546 19.039 ( -7.682 21.849 -11.592) 25.899 20.410 ( 4.107 -10.827 -3.292) 12.039 20.719 ( -2.990 -14.478 3.069) 15.098 22.615 ( 0.911 1.175 -1.904) 2.416 23.551 ( -0.900 -5.092 2.617) 5.795 25.090 ( 1.203 16.358 4.458) 16.997 25.393 ( 0.838 16.012 -2.327) 16.202 105.171 ( -0.011 0.525 0.107) 0.536 105.293 ( -0.536 -1.533 2.399) 2.897 105.906 ( -0.413 -4.026 0.047) 4.048 106.017 ( -0.222 -5.971 1.294) 6.114 ======================= Grid point 292 (142/272) ======================= q-point: (-0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -5.784 8.048 6.038) 11.605 2.428 ( 1.463 5.781 6.192) 8.596 2.800 ( -10.429 -0.267 1.403) 10.526 3.386 ( -3.573 2.323 -3.026) 5.227 3.523 ( 13.548 1.065 1.420) 13.663 4.000 ( 4.768 2.477 -0.940) 5.455 4.434 ( -7.910 21.511 -2.766) 23.085 4.633 ( 3.297 14.978 -1.460) 15.406 4.932 ( 2.589 11.641 1.400) 12.007 5.103 ( -2.764 5.846 2.198) 6.830 5.293 ( 0.831 5.255 -3.219) 6.218 5.716 ( 0.460 -4.674 -0.682) 4.746 8.206 ( 1.739 0.805 0.184) 1.925 8.598 ( 8.725 4.077 1.148) 9.699 8.960 ( -2.077 -11.135 -0.991) 11.370 9.755 ( -1.576 -7.963 -0.239) 8.121 9.878 ( -0.788 8.365 -1.221) 8.490 10.679 ( 15.084 2.517 0.768) 15.311 11.114 ( 0.925 7.742 1.367) 7.916 11.711 ( -8.500 -12.066 -0.130) 14.760 12.016 ( -11.404 -3.276 -0.082) 11.865 12.703 ( 6.429 -11.662 0.718) 13.336 13.306 ( -6.972 6.464 -2.305) 9.783 13.588 ( 2.300 1.229 -0.563) 2.668 17.985 ( 3.271 14.528 3.933) 15.402 18.925 ( 4.584 20.636 -11.206) 23.926 20.508 ( 4.920 -10.113 -3.223) 11.699 20.700 ( 1.774 -12.349 2.864) 12.800 22.631 ( 1.738 1.971 -2.118) 3.375 23.560 ( 0.028 -3.815 2.815) 4.741 25.082 ( -4.014 14.751 3.724) 15.735 25.321 ( -6.527 15.176 -2.299) 16.679 105.173 ( 0.161 0.388 0.118) 0.437 105.290 ( -1.126 -1.799 2.421) 3.220 105.899 ( -0.214 -3.773 0.105) 3.780 106.024 ( 0.124 -6.092 1.471) 6.268 ======================= Grid point 293 (143/272) ======================= q-point: (-0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -8.524 7.580 4.971) 12.442 2.412 ( -4.781 17.126 2.569) 17.966 2.724 ( 0.854 -8.562 4.257) 9.600 3.328 ( -1.165 5.383 -0.829) 5.569 3.793 ( 9.767 1.249 0.902) 9.888 4.109 ( 7.061 6.379 -0.707) 9.542 4.241 ( -7.939 22.093 -3.028) 23.671 4.677 ( 1.562 11.628 -1.200) 11.794 4.999 ( 3.162 11.031 0.851) 11.507 5.067 ( -1.461 6.335 1.264) 6.623 5.291 ( 0.517 2.804 -2.660) 3.899 5.696 ( -2.022 -4.818 -0.825) 5.290 8.255 ( 3.258 -4.568 -0.575) 5.640 8.835 ( 11.894 5.869 1.002) 13.301 8.889 ( -3.622 -11.418 -0.880) 12.011 9.736 ( 0.720 -5.313 -0.013) 5.362 9.870 ( 0.817 9.468 0.018) 9.503 11.018 ( 9.798 3.932 1.293) 10.637 11.151 ( 2.723 2.398 0.329) 3.644 11.428 ( -11.425 -2.789 1.552) 11.862 11.884 ( -2.664 -7.986 -1.864) 8.623 12.770 ( -1.622 -3.453 -0.702) 3.879 13.146 ( -6.072 2.093 -1.237) 6.541 13.615 ( 0.732 -1.152 -0.793) 1.578 17.966 ( -3.916 11.823 -3.706) 12.994 19.103 ( 15.017 11.671 -5.328) 19.751 20.517 ( -1.165 -8.348 -0.224) 8.432 20.880 ( 13.215 -5.945 -0.572) 14.502 22.657 ( 1.910 3.245 -2.504) 4.522 23.566 ( -1.369 0.185 3.048) 3.347 24.982 ( -6.957 12.135 2.172) 14.156 25.121 ( -11.172 12.818 -1.652) 17.083 105.180 ( 0.396 0.317 0.281) 0.580 105.274 ( -1.651 -1.667 2.242) 3.246 105.899 ( 0.108 -3.622 0.079) 3.625 106.037 ( 0.141 -6.727 2.042) 7.031 ======================= Grid point 294 (144/272) ======================= q-point: (-0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -6.930 6.942 4.990) 11.005 2.354 ( -1.246 21.591 1.135) 21.656 2.784 ( 1.325 -8.449 5.058) 9.936 3.308 ( -0.715 7.537 -1.390) 7.698 3.873 ( -0.808 17.115 1.308) 17.184 4.138 ( -0.481 10.716 -2.208) 10.951 4.293 ( 9.948 4.112 -0.197) 10.766 4.674 ( -1.716 9.235 -0.138) 9.395 5.056 ( 1.818 8.124 -1.267) 8.421 5.071 ( 2.112 12.161 -0.013) 12.343 5.280 ( -0.378 -2.049 -1.996) 2.885 5.629 ( -4.120 -4.798 -0.212) 6.327 8.341 ( 5.993 -9.299 -1.365) 11.147 8.730 ( -8.923 -12.289 -1.814) 15.295 9.097 ( 9.165 6.875 0.933) 11.495 9.815 ( 7.064 0.086 0.278) 7.070 9.924 ( 4.483 7.785 1.775) 9.158 10.726 ( -23.927 -3.482 1.758) 24.243 11.315 ( 6.163 1.301 1.725) 6.531 11.520 ( 7.832 4.510 0.296) 9.042 11.897 ( 8.884 -3.989 -2.967) 10.181 12.593 ( -13.726 3.917 -2.065) 14.422 13.090 ( -0.009 -2.698 -0.350) 2.721 13.615 ( -0.150 -4.297 -0.716) 4.359 17.841 ( -4.261 10.499 -8.364) 14.083 19.369 ( 11.389 -1.152 -2.278) 11.672 20.518 ( 2.461 -4.029 -1.812) 5.057 21.141 ( 10.743 -0.191 -0.690) 10.767 22.676 ( 1.184 4.889 -2.863) 5.788 23.535 ( -3.043 6.309 3.592) 7.872 24.832 ( -8.176 12.102 -1.118) 14.648 24.914 ( -7.090 6.863 1.346) 9.959 105.193 ( 0.651 0.276 0.597) 0.926 105.249 ( -1.912 -1.069 1.877) 2.885 105.904 ( 0.370 -3.633 -0.055) 3.652 106.050 ( -0.189 -7.637 2.706) 8.105 ======================= Grid point 295 (145/272) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -0.510 7.554 1.315) 7.684 2.628 ( 0.583 -8.438 5.580) 10.133 2.826 ( 1.290 19.766 0.768) 19.823 3.487 ( 0.580 9.854 -0.836) 9.907 3.987 ( 0.365 -2.844 1.194) 3.106 4.287 ( 0.623 -10.694 -1.434) 10.808 4.518 ( 0.152 22.175 -2.558) 22.322 4.892 ( -1.003 12.479 -1.640) 12.626 5.151 ( 2.920 -1.339 -0.680) 3.283 5.243 ( 2.433 -0.330 -1.014) 2.657 5.346 ( -1.149 9.735 -0.214) 9.805 5.505 ( -4.432 2.338 -0.086) 5.012 8.259 ( 5.500 -9.343 -1.051) 10.893 8.325 ( -5.989 -9.003 -2.880) 11.190 9.327 ( -3.509 9.881 0.432) 10.495 10.009 ( -2.945 1.550 0.115) 3.330 10.101 ( 0.307 3.063 1.555) 3.449 10.351 ( 2.714 -2.951 5.497) 6.804 11.369 ( -4.875 -2.955 -1.321) 5.852 11.452 ( 4.577 -5.632 -0.152) 7.259 12.298 ( -2.731 5.031 -2.014) 6.069 12.429 ( 6.545 7.860 -1.437) 10.329 13.046 ( -0.378 -1.266 -0.343) 1.365 13.484 ( -0.343 -6.480 -0.563) 6.513 17.956 ( -2.262 13.414 -8.262) 15.916 19.275 ( 2.277 -14.623 0.453) 14.806 20.585 ( 3.857 2.226 -3.843) 5.882 21.226 ( -1.095 -4.697 1.043) 4.935 22.843 ( -0.649 11.563 -0.952) 11.620 23.614 ( -0.431 -0.025 4.855) 4.874 24.909 ( -3.630 9.419 -0.637) 10.115 24.978 ( 1.748 6.646 0.217) 6.875 105.212 ( -0.274 0.191 1.069) 1.120 105.222 ( -0.054 -0.051 1.118) 1.120 105.846 ( 0.397 -2.755 -0.561) 2.839 105.914 ( -0.488 -5.705 0.998) 5.812 ======================= Grid point 296 (146/272) ======================= q-point: ( 0.12 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 2.928 9.488 0.624) 9.949 2.641 ( -2.569 -0.888 4.995) 5.687 2.836 ( 0.212 14.470 0.583) 14.484 3.521 ( 2.858 7.779 -0.031) 8.287 3.957 ( -3.915 -2.732 1.454) 4.990 4.203 ( -7.959 -11.454 -1.224) 14.002 4.559 ( 5.091 21.381 -3.192) 22.209 4.874 ( 0.042 11.353 -2.041) 11.535 5.187 ( -0.201 -1.135 0.570) 1.286 5.245 ( -0.366 4.603 0.739) 4.676 5.390 ( 4.095 6.018 -2.340) 7.646 5.435 ( -1.173 1.968 0.375) 2.322 8.200 ( -3.464 -5.645 -1.903) 6.891 8.423 ( 9.757 -11.329 -1.754) 15.054 9.158 ( -12.401 9.515 1.173) 15.675 9.746 ( -13.363 -2.545 1.098) 13.647 10.145 ( -0.147 6.762 1.268) 6.881 10.653 ( 16.318 -6.226 3.279) 17.771 11.249 ( -4.672 -1.678 -0.808) 5.030 11.553 ( 3.503 -2.880 -0.312) 4.546 11.970 ( -15.483 5.123 -1.494) 16.377 12.712 ( 8.010 -1.349 -1.229) 8.215 13.054 ( 4.442 3.663 -0.589) 5.787 13.512 ( 2.977 -4.826 -0.673) 5.710 17.899 ( 0.939 15.604 -7.082) 17.162 19.336 ( 3.665 -13.661 -0.582) 14.156 20.604 ( 0.070 -1.035 -3.763) 3.903 21.065 ( -14.575 -1.940 1.708) 14.802 22.791 ( -3.287 10.774 -0.881) 11.299 23.606 ( -3.170 -2.874 4.168) 5.973 24.937 ( 6.042 11.620 0.418) 13.104 25.111 ( 10.534 7.480 -0.277) 12.923 105.203 ( -0.760 0.541 0.858) 1.267 105.238 ( 0.586 -0.239 1.229) 1.383 105.849 ( 0.204 -2.892 -0.668) 2.976 105.909 ( -0.518 -5.587 1.019) 5.703 ======================= Grid point 297 (147/272) ======================= q-point: ( 0.25 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 3.908 10.033 -0.226) 10.769 2.589 ( -4.315 4.613 4.327) 7.656 2.870 ( 3.056 8.693 0.432) 9.225 3.575 ( 1.437 4.510 -0.124) 4.735 3.852 ( -7.749 -3.103 3.811) 9.176 3.987 ( -10.716 -8.586 -2.496) 13.956 4.670 ( 7.140 19.692 -3.399) 21.221 4.866 ( 0.526 10.504 -2.343) 10.775 5.155 ( -2.936 2.040 1.705) 3.961 5.251 ( -0.399 3.680 3.089) 4.821 5.418 ( 2.064 8.611 -2.515) 9.205 5.498 ( 4.498 -1.540 -1.126) 4.886 8.166 ( 1.031 -1.406 -1.286) 2.166 8.615 ( 8.946 -11.100 -1.482) 14.333 8.894 ( -12.990 8.706 1.729) 15.733 9.542 ( -7.111 -6.824 0.986) 9.904 10.125 ( -1.406 8.437 -0.248) 8.557 10.830 ( -4.103 -7.352 2.089) 8.674 11.258 ( 7.862 -2.104 -0.879) 8.186 11.499 ( -7.815 10.173 0.793) 12.853 11.840 ( 3.803 -7.700 -0.925) 8.638 12.675 ( -7.923 -10.722 0.178) 13.333 13.250 ( 11.928 8.988 -1.417) 15.002 13.572 ( 2.767 -1.687 -0.733) 3.323 17.921 ( 4.423 18.429 -4.234) 19.420 19.407 ( 3.908 -9.520 -3.263) 10.796 20.556 ( -2.984 -5.248 -3.001) 6.741 20.717 ( -18.603 0.392 2.403) 18.762 22.724 ( -2.483 8.098 -1.089) 8.540 23.535 ( -5.346 -6.068 3.376) 8.763 25.116 ( 9.618 13.711 2.158) 16.887 25.356 ( 12.739 9.029 -0.899) 15.641 105.193 ( -0.509 0.761 0.484) 1.036 105.255 ( 0.268 -0.661 1.396) 1.568 105.846 ( -0.065 -3.018 -0.610) 3.080 105.906 ( -0.299 -5.146 0.797) 5.216 ======================= Grid point 298 (148/272) ======================= q-point: ( 0.38 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 4.299 7.845 0.497) 8.959 2.524 ( -4.358 3.107 3.219) 6.246 2.967 ( 6.119 6.935 0.174) 9.250 3.514 ( -8.733 2.061 0.424) 8.982 3.680 ( -8.067 -5.149 -1.032) 9.626 3.849 ( -1.882 -1.890 2.404) 3.590 4.790 ( 5.705 17.191 -3.172) 18.388 4.880 ( 2.342 11.284 -2.157) 11.725 5.103 ( -2.784 3.649 1.658) 4.880 5.252 ( -1.681 4.061 3.465) 5.597 5.450 ( 2.056 8.307 -2.545) 8.928 5.571 ( 3.226 -1.987 -0.760) 3.865 8.217 ( 3.895 2.695 -0.296) 4.746 8.639 ( -7.301 5.253 0.742) 9.025 8.783 ( 2.881 -6.853 -0.555) 7.455 9.473 ( -0.400 -11.274 0.850) 11.313 10.112 ( 1.087 9.795 -1.275) 9.937 10.632 ( -11.664 -1.822 0.622) 11.821 11.357 ( -3.274 10.756 1.348) 11.324 11.452 ( 5.857 -7.529 -0.468) 9.550 11.997 ( 10.442 -10.522 0.148) 14.825 12.464 ( -12.627 -12.431 0.676) 17.732 13.453 ( 8.419 7.852 -1.536) 11.615 13.603 ( 0.368 1.190 -0.631) 1.396 18.030 ( 7.326 20.195 -0.433) 21.487 19.429 ( 0.196 -2.208 -7.132) 7.469 20.359 ( -11.433 -1.079 -1.274) 11.555 20.516 ( -3.982 -8.968 1.854) 9.986 22.682 ( -0.925 5.953 -1.160) 6.135 23.451 ( -4.048 -7.641 3.049) 9.169 25.306 ( 6.661 14.556 3.462) 16.378 25.574 ( 8.441 10.026 -1.325) 13.173 105.187 ( -0.304 0.766 0.192) 0.847 105.264 ( -0.184 -1.089 1.488) 1.854 105.841 ( -0.164 -2.972 -0.471) 3.013 105.906 ( -0.045 -4.758 0.519) 4.786 ======================= Grid point 299 (149/272) ======================= q-point: (-0.50 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 3.389 3.948 2.419) 5.738 2.445 ( -4.163 0.054 1.273) 4.354 3.056 ( -1.560 5.549 -0.216) 5.768 3.346 ( -1.797 0.726 1.018) 2.189 3.554 ( -4.002 1.801 -1.450) 4.622 3.884 ( 2.820 -2.847 2.920) 4.959 4.850 ( 2.387 13.999 -3.493) 14.624 4.932 ( 2.627 14.875 -1.573) 15.186 5.068 ( -1.356 4.164 1.825) 4.745 5.214 ( -3.402 3.171 2.080) 5.095 5.467 ( 0.872 8.728 -1.883) 8.971 5.623 ( 2.161 -1.958 -0.175) 2.921 8.277 ( 0.532 5.217 0.247) 5.249 8.566 ( 1.671 5.840 0.872) 6.137 8.806 ( -0.654 -7.773 -0.850) 7.847 9.502 ( 1.709 -13.263 0.776) 13.396 10.140 ( 0.721 12.086 -1.607) 12.213 10.500 ( 1.465 -0.262 0.323) 1.522 11.308 ( -1.983 10.505 1.545) 10.802 11.530 ( 1.581 -9.379 -0.514) 9.525 12.178 ( -14.998 -14.070 0.990) 20.588 12.229 ( 10.925 -10.466 0.303) 15.132 13.550 ( -0.545 6.382 -2.454) 6.860 13.592 ( 1.369 2.921 0.365) 3.247 18.191 ( 6.942 19.175 2.736) 20.576 19.323 ( -4.908 5.589 -10.389) 12.777 20.252 ( 1.794 -4.903 -1.625) 5.468 20.464 ( -2.219 -10.442 2.629) 10.994 22.675 ( 0.838 5.072 -1.191) 5.277 23.418 ( -0.798 -7.973 3.082) 8.585 25.401 ( 0.419 14.199 3.914) 14.735 25.661 ( 0.536 10.246 -1.527) 10.373 105.183 ( -0.140 0.663 0.061) 0.680 105.264 ( -0.590 -1.379 1.549) 2.156 105.836 ( -0.073 -2.783 -0.388) 2.811 105.909 ( 0.086 -4.649 0.388) 4.666 ======================= Grid point 300 (150/272) ======================= q-point: (-0.38 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -4.025 3.063 1.830) 5.379 2.416 ( 1.324 -5.632 2.152) 6.173 2.907 ( -8.491 9.839 -0.222) 12.999 3.454 ( 3.821 2.828 -0.239) 4.760 3.531 ( 5.909 1.347 1.174) 6.173 3.977 ( 4.979 -3.665 1.264) 6.310 4.844 ( -2.027 17.345 -3.492) 17.809 4.941 ( 0.137 14.479 -2.072) 14.627 5.075 ( 0.616 2.598 1.719) 3.175 5.157 ( -2.653 2.176 1.664) 3.814 5.466 ( -0.093 9.210 -1.249) 9.295 5.652 ( 0.710 -1.439 -0.332) 1.638 8.243 ( -2.686 2.958 -0.336) 4.010 8.709 ( 8.659 3.221 0.639) 9.261 8.764 ( -1.020 -5.123 -0.126) 5.225 9.534 ( 1.528 -11.547 0.748) 11.671 10.110 ( -1.520 12.198 -1.168) 12.347 10.709 ( 16.077 0.351 0.555) 16.090 11.282 ( -2.038 6.964 0.566) 7.278 11.506 ( -3.723 -5.670 0.335) 6.792 11.878 ( -12.838 -9.835 0.124) 16.173 12.448 ( 9.722 -13.201 0.510) 16.403 13.442 ( -7.466 6.524 -1.620) 10.047 13.623 ( 0.320 1.890 -0.474) 1.974 18.289 ( 0.248 15.645 1.680) 15.737 19.194 ( -0.876 5.727 -9.346) 10.996 20.345 ( 4.702 -5.895 -0.879) 7.592 20.502 ( 7.543 -7.324 1.537) 10.625 22.702 ( 2.499 5.437 -1.357) 6.136 23.449 ( 1.907 -7.130 3.357) 8.108 25.363 ( -6.030 12.787 3.560) 14.579 25.577 ( -7.721 9.881 -1.632) 12.646 105.183 ( 0.056 0.545 0.116) 0.560 105.257 ( -0.881 -1.418 1.602) 2.313 105.834 ( 0.086 -2.623 -0.363) 2.649 105.913 ( 0.083 -4.792 0.425) 4.812 ======================= Grid point 301 (151/272) ======================= q-point: (-0.25 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -7.320 3.721 0.587) 8.232 2.492 ( 3.223 -10.552 4.445) 11.895 2.785 ( -2.986 16.480 -0.140) 16.749 3.472 ( 0.542 8.540 0.608) 8.579 3.746 ( 10.676 -4.444 0.934) 11.601 4.093 ( 6.146 -4.627 -0.317) 7.699 4.726 ( -6.633 21.935 -3.381) 23.164 4.942 ( 0.822 12.537 -2.718) 12.855 5.093 ( 0.309 -0.529 0.586) 0.847 5.137 ( -0.068 2.813 2.328) 3.652 5.448 ( -1.193 9.453 -0.928) 9.573 5.643 ( -1.332 -0.479 -0.826) 1.638 8.192 ( -1.494 -1.294 -1.064) 2.245 8.647 ( -6.217 -10.971 -1.382) 12.685 8.998 ( 14.376 8.426 1.692) 16.749 9.605 ( 5.653 -6.859 0.842) 8.928 10.088 ( -0.333 11.295 0.129) 11.301 10.974 ( -3.196 -7.576 2.531) 8.603 11.175 ( -0.061 0.858 -0.918) 1.258 11.504 ( 5.672 8.419 0.820) 10.184 11.713 ( -2.289 -7.756 -1.713) 8.266 12.617 ( 6.107 -10.651 0.055) 12.278 13.248 ( -10.252 6.744 -1.307) 12.340 13.597 ( -2.456 -1.005 -0.645) 2.731 18.219 ( -5.429 13.290 -3.828) 14.857 19.189 ( 2.983 -2.328 -4.043) 5.537 20.411 ( 3.647 -1.990 -0.421) 4.176 20.780 ( 16.724 -4.747 0.151) 17.386 22.757 ( 3.527 7.022 -1.566) 8.012 23.518 ( 2.523 -4.856 4.002) 6.780 25.213 ( -9.631 10.588 2.503) 14.530 25.350 ( -12.954 9.283 -1.554) 16.013 105.187 ( 0.313 0.444 0.332) 0.636 105.246 ( -1.072 -1.151 1.602) 2.245 105.835 ( 0.261 -2.578 -0.370) 2.617 105.916 ( -0.046 -5.106 0.584) 5.139 ======================= Grid point 302 (152/272) ======================= q-point: (-0.12 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -4.913 5.284 1.055) 7.291 2.571 ( 1.843 -11.637 5.400) 12.960 2.781 ( 1.909 20.282 0.311) 20.374 3.486 ( 0.327 9.826 -0.080) 9.832 3.922 ( 5.623 -3.996 1.173) 6.998 4.217 ( 6.013 -7.650 -1.317) 9.820 4.582 ( -4.820 23.097 -3.064) 23.793 4.927 ( -1.039 12.688 -2.033) 12.891 5.105 ( 1.333 -0.746 0.069) 1.529 5.179 ( 2.983 0.392 0.483) 3.047 5.403 ( -2.836 9.641 -0.674) 10.072 5.590 ( -3.393 0.863 -0.753) 3.581 8.186 ( 1.892 -5.646 -1.504) 6.141 8.490 ( -7.935 -11.134 -1.932) 13.808 9.266 ( 9.236 9.302 0.846) 13.135 9.788 ( 12.051 -2.078 0.937) 12.265 10.100 ( 0.902 8.576 1.827) 8.814 10.624 ( -22.039 -6.046 3.062) 23.058 11.308 ( 6.466 -1.431 0.240) 6.626 11.515 ( -4.837 -4.988 -1.102) 7.035 11.928 ( 21.209 7.141 -1.829) 22.454 12.634 ( -6.394 -1.239 -1.117) 6.608 13.073 ( -4.299 1.987 -0.533) 4.765 13.530 ( -3.259 -4.336 -0.647) 5.463 18.074 ( -4.938 12.670 -7.391) 15.478 19.233 ( 2.164 -10.978 -0.499) 11.200 20.501 ( 5.584 2.126 -2.419) 6.446 21.098 ( 12.412 -4.800 0.550) 13.319 22.820 ( 3.080 9.573 -1.427) 10.157 23.581 ( 1.077 -1.497 4.771) 5.115 25.039 ( -7.304 8.300 0.925) 11.095 25.079 ( -11.718 8.647 -0.979) 14.596 105.199 ( 0.547 0.329 0.646) 0.908 105.232 ( -1.118 -0.619 1.480) 1.956 105.840 ( 0.398 -2.642 -0.430) 2.706 105.917 ( -0.270 -5.473 0.807) 5.539 ======================= Grid point 303 (153/272) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 1.855 9.462 1.436) 9.748 2.402 ( 2.639 -12.307 5.258) 13.641 3.238 ( 1.568 19.742 -0.408) 19.808 3.681 ( -0.814 8.892 -0.242) 8.932 3.880 ( 1.714 -8.259 1.504) 8.568 4.050 ( -1.483 -11.329 -1.517) 11.526 4.899 ( 0.532 14.456 -4.766) 15.231 5.072 ( -1.295 5.244 -1.580) 5.628 5.146 ( 1.666 0.399 -1.062) 2.016 5.194 ( 2.652 -2.705 -0.277) 3.798 5.499 ( -2.444 5.453 0.244) 5.980 5.567 ( -2.758 2.154 -0.314) 3.514 8.123 ( 2.500 -4.001 -1.089) 4.842 8.173 ( -3.194 -5.890 -2.471) 7.142 9.545 ( -3.437 11.366 0.418) 11.882 9.953 ( -3.768 -6.724 0.169) 7.710 10.177 ( 0.334 4.167 2.587) 4.916 10.306 ( 2.313 -1.769 4.954) 5.746 11.305 ( -3.425 -2.484 -1.948) 4.658 11.348 ( 3.784 -4.322 -1.437) 5.921 12.408 ( -0.582 5.516 -1.556) 5.760 12.533 ( 4.102 1.754 -1.186) 4.616 13.068 ( -0.057 3.898 -0.009) 3.898 13.344 ( -0.444 -7.395 -0.264) 7.413 18.255 ( -1.123 16.113 -5.997) 17.229 18.950 ( 1.337 -17.189 -0.911) 17.265 20.680 ( 2.074 6.980 -3.038) 7.890 21.066 ( -0.044 -10.089 -0.272) 10.093 23.102 ( -0.669 13.318 1.955) 13.477 23.540 ( -1.041 -6.846 4.731) 8.386 25.062 ( -1.812 5.642 0.023) 5.926 25.095 ( 0.987 4.181 -0.290) 4.305 105.216 ( -0.132 0.175 0.956) 0.981 105.221 ( 0.084 -0.074 1.018) 1.025 105.803 ( 0.289 -1.404 -0.667) 1.581 105.827 ( -0.163 -2.956 -0.137) 2.964 ======================= Grid point 304 (154/272) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 4.075 10.991 0.667) 11.741 2.479 ( 1.981 -10.846 4.443) 11.886 3.217 ( -2.852 19.206 -0.932) 19.439 3.669 ( -0.343 6.428 0.655) 6.471 3.868 ( -3.993 -7.217 2.019) 8.491 3.963 ( -5.626 -10.587 -1.691) 12.107 4.926 ( 4.316 14.383 -4.614) 15.710 5.045 ( -0.514 5.847 -1.779) 6.133 5.159 ( -0.169 -1.388 -0.061) 1.400 5.251 ( 2.707 -2.361 0.242) 3.600 5.478 ( 0.367 4.468 0.344) 4.496 5.529 ( -0.435 2.915 -0.950) 3.097 8.123 ( 0.679 -1.799 -1.691) 2.561 8.234 ( 7.765 -7.317 -1.551) 10.781 9.360 ( -13.410 10.016 1.251) 16.784 9.675 ( -15.741 -4.806 1.459) 16.523 10.272 ( 2.619 5.998 1.468) 6.708 10.521 ( 11.454 -6.608 2.999) 13.559 11.240 ( -1.569 1.052 -1.516) 2.422 11.428 ( 4.981 -7.445 -1.526) 9.087 12.156 ( -15.348 11.309 -0.743) 19.079 12.594 ( -3.798 -8.867 -0.708) 9.672 13.175 ( 10.451 6.911 -0.453) 12.537 13.416 ( 6.275 -4.931 -0.461) 7.994 18.244 ( 3.084 18.420 -5.292) 19.411 19.011 ( 5.147 -17.995 -1.542) 18.780 20.642 ( -3.994 4.578 -2.739) 6.664 20.950 ( -10.787 -8.250 0.234) 13.582 23.042 ( -5.482 13.158 1.489) 14.332 23.492 ( -5.712 -8.026 4.076) 10.662 25.137 ( 8.322 7.802 0.541) 11.420 25.226 ( 11.000 3.493 -0.170) 11.542 105.213 ( -0.411 0.522 0.799) 1.039 105.232 ( 0.258 -0.382 1.021) 1.121 105.804 ( 0.123 -1.497 -0.716) 1.664 105.824 ( 0.010 -2.836 -0.086) 2.837 ======================= Grid point 305 (155/272) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 3.493 10.970 -1.356) 11.592 2.516 ( -0.437 -8.323 2.259) 8.635 3.153 ( -1.921 15.893 -0.818) 16.030 3.662 ( -1.220 2.005 1.018) 2.558 3.723 ( -10.300 -7.727 0.534) 12.887 3.855 ( -4.423 -4.418 1.419) 6.410 5.008 ( 5.670 13.404 -3.890) 15.065 5.030 ( 0.107 5.948 -1.712) 6.190 5.145 ( -1.086 -1.244 0.583) 1.751 5.298 ( 1.249 -0.821 1.652) 2.228 5.510 ( 2.232 2.546 0.486) 3.420 5.538 ( 1.797 3.023 -1.612) 3.869 8.174 ( 5.077 2.327 -1.310) 5.737 8.410 ( 9.584 -8.977 -1.211) 13.187 9.079 ( -13.845 9.204 1.866) 16.730 9.404 ( -11.229 -6.992 1.542) 13.318 10.296 ( -0.089 8.648 0.003) 8.649 10.661 ( -0.164 -9.072 1.293) 9.165 11.257 ( 4.277 2.458 -1.046) 5.043 11.530 ( 5.337 -7.928 -0.758) 9.587 11.874 ( -10.984 11.897 0.269) 16.194 12.432 ( -10.318 -13.182 0.227) 16.741 13.403 ( 10.784 6.130 -0.860) 12.434 13.544 ( 5.872 -1.514 -0.616) 6.096 18.318 ( 6.501 20.700 -3.697) 22.009 19.128 ( 7.195 -17.233 -2.951) 18.906 20.510 ( -7.149 0.686 -1.735) 7.389 20.671 ( -15.694 -4.501 0.816) 16.347 22.931 ( -5.316 11.667 0.525) 12.832 23.378 ( -6.854 -9.294 3.173) 11.976 25.354 ( 11.090 9.432 1.570) 14.643 25.484 ( 13.099 3.333 -0.177) 13.517 105.209 ( -0.390 0.769 0.497) 0.995 105.240 ( -0.019 -0.768 0.965) 1.233 105.801 ( 0.010 -1.412 -0.657) 1.557 105.826 ( 0.185 -2.768 -0.135) 2.777 ======================= Grid point 306 (156/272) ======================= q-point: ( 0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 1.694 8.998 -2.811) 9.578 2.482 ( -3.349 -6.193 -0.618) 7.067 3.151 ( 1.926 10.305 -0.229) 10.486 3.498 ( -10.597 -5.331 -0.101) 11.863 3.638 ( -1.866 2.526 1.218) 3.369 3.798 ( -2.338 -3.299 3.811) 5.556 5.032 ( 1.174 6.380 -2.020) 6.794 5.100 ( 4.341 10.507 -1.559) 11.475 5.128 ( -0.435 0.341 -0.573) 0.796 5.312 ( -0.998 0.589 2.002) 2.313 5.562 ( 2.279 1.871 1.252) 3.204 5.572 ( 2.166 2.768 -1.508) 3.825 8.296 ( 6.649 5.102 -0.578) 8.401 8.569 ( 5.517 -7.720 -1.109) 9.553 8.854 ( -8.590 8.945 1.827) 12.536 9.253 ( -4.296 -10.571 1.518) 11.511 10.301 ( 1.714 8.772 -0.994) 8.993 10.573 ( -6.524 -4.238 -0.050) 7.779 11.358 ( 4.587 0.054 -0.563) 4.622 11.578 ( -1.969 5.176 0.552) 5.565 11.780 ( 2.350 -5.213 0.739) 5.766 12.212 ( -10.977 -12.866 0.542) 16.921 13.576 ( 6.480 4.411 -0.830) 7.883 13.631 ( 2.835 1.126 -0.762) 3.144 18.454 ( 7.764 21.566 -1.567) 22.975 19.245 ( 5.622 -14.686 -4.952) 16.487 20.338 ( -9.707 -0.891 -1.108) 9.811 20.398 ( -9.008 -3.445 1.426) 9.749 22.847 ( -2.847 9.919 -0.062) 10.319 23.273 ( -4.528 -9.863 2.623) 11.165 25.559 ( 7.186 10.148 2.319) 12.649 25.710 ( 8.359 3.242 -0.250) 8.969 105.203 ( -0.348 0.845 0.238) 0.944 105.242 ( -0.314 -1.064 0.870) 1.409 105.798 ( 0.050 -1.214 -0.588) 1.350 105.829 ( 0.222 -2.792 -0.190) 2.808 ======================= Grid point 307 (157/272) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 0.557 4.840 -2.270) 5.374 2.382 ( -5.059 -5.538 -3.037) 8.093 3.187 ( -0.685 6.680 -0.323) 6.722 3.347 ( -1.663 -0.905 0.372) 1.929 3.615 ( -1.010 4.030 2.064) 4.639 3.807 ( 1.119 -4.567 3.778) 6.032 5.052 ( 1.803 5.823 -2.120) 6.454 5.107 ( -0.977 0.800 0.572) 1.387 5.175 ( 3.200 8.854 -2.135) 9.653 5.277 ( -3.226 2.382 0.937) 4.118 5.600 ( 1.217 4.087 -0.488) 4.293 5.616 ( 1.872 0.948 1.571) 2.621 8.386 ( 0.738 5.553 -0.148) 5.604 8.614 ( 0.723 -4.633 -0.929) 4.780 8.774 ( 0.012 7.799 1.517) 7.945 9.236 ( 1.224 -12.948 1.423) 13.084 10.358 ( 2.187 8.760 -1.290) 9.120 10.496 ( 2.582 -0.246 -0.383) 2.622 11.396 ( -1.303 -0.976 -0.235) 1.645 11.541 ( -0.252 9.123 0.766) 9.159 11.827 ( -3.600 -14.825 1.299) 15.311 12.059 ( -0.394 -9.895 0.211) 9.905 13.642 ( -1.489 3.038 -0.800) 3.476 13.656 ( 1.898 2.623 -0.789) 3.333 18.587 ( 4.727 19.788 0.130) 20.345 19.267 ( -0.764 -10.121 -6.837) 12.237 20.204 ( -0.742 -0.184 -0.531) 0.931 20.306 ( -1.423 -5.447 1.503) 5.827 22.820 ( 0.234 9.013 -0.216) 9.018 23.234 ( -0.546 -10.046 2.483) 10.362 25.648 ( -0.037 9.923 2.625) 10.265 25.797 ( 0.139 3.196 -0.350) 3.218 105.198 ( -0.254 0.807 0.127) 0.856 105.238 ( -0.498 -1.195 0.838) 1.542 105.797 ( 0.123 -1.058 -0.553) 1.201 105.833 ( 0.184 -2.860 -0.216) 2.874 ======================= Grid point 308 (158/272) ======================= q-point: (-0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -3.021 1.868 -1.557) 3.878 2.280 ( -2.186 -6.679 -2.173) 7.356 3.125 ( -2.617 10.756 -0.280) 11.074 3.435 ( 7.474 -3.787 0.262) 8.382 3.625 ( 0.776 6.348 2.232) 6.774 3.877 ( 3.731 -5.800 2.617) 7.376 5.076 ( 1.457 4.673 -1.915) 5.256 5.093 ( -0.641 0.640 0.505) 1.037 5.185 ( -3.116 8.398 -2.206) 9.225 5.217 ( -0.614 4.553 -0.415) 4.613 5.612 ( 0.072 4.832 0.133) 4.834 5.652 ( 0.727 0.920 1.406) 1.831 8.324 ( -5.236 4.947 -0.626) 7.230 8.576 ( -4.339 -7.545 -1.051) 8.767 8.894 ( 10.306 8.987 1.860) 13.800 9.304 ( 4.898 -11.174 1.428) 12.283 10.348 ( -0.848 11.122 -0.800) 11.183 10.679 ( 11.384 -3.861 0.032) 12.021 11.310 ( -6.274 0.372 -0.634) 6.317 11.560 ( -0.366 0.698 -0.020) 0.789 11.694 ( -4.102 -1.062 1.112) 4.381 12.176 ( 8.587 -13.785 0.492) 16.248 13.558 ( -6.204 4.803 -1.011) 7.911 13.649 ( -2.242 0.340 -0.541) 2.331 18.612 ( -2.458 16.237 -0.602) 16.433 19.164 ( -4.531 -7.756 -6.196) 10.912 20.281 ( 6.288 -0.447 -0.061) 6.304 20.388 ( 9.913 -4.531 0.653) 10.919 22.854 ( 3.122 9.333 -0.108) 9.842 23.276 ( 3.051 -9.863 2.755) 10.685 25.584 ( -7.365 8.869 2.479) 11.791 25.711 ( -8.192 3.283 -0.479) 8.838 105.195 ( -0.080 0.711 0.207) 0.744 105.232 ( -0.551 -1.134 0.913) 1.556 105.797 ( 0.183 -1.007 -0.551) 1.162 105.834 ( 0.100 -2.943 -0.224) 2.953 ======================= Grid point 309 (159/272) ======================= q-point: (-0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -4.849 3.444 -1.328) 6.094 2.276 ( 1.077 -9.993 1.752) 10.202 3.114 ( 1.714 15.601 -0.492) 15.702 3.608 ( 8.589 -5.806 0.667) 10.389 3.664 ( 2.008 6.337 1.104) 6.739 3.972 ( 4.155 -6.870 1.081) 8.101 5.061 ( -3.972 6.548 -2.186) 7.965 5.091 ( 1.092 2.844 -1.229) 3.285 5.110 ( -0.531 4.651 -1.036) 4.795 5.196 ( -1.585 4.723 -1.035) 5.088 5.601 ( -1.418 5.205 0.331) 5.405 5.657 ( -0.811 1.125 0.659) 1.535 8.207 ( -5.172 2.663 -1.217) 5.943 8.447 ( -7.192 -8.796 -1.331) 11.440 9.167 ( 14.641 8.094 1.794) 16.825 9.465 ( 10.280 -6.972 1.462) 12.507 10.318 ( -2.414 11.399 0.501) 11.663 10.775 ( -6.648 -11.042 1.906) 13.029 11.219 ( 0.944 3.593 -1.390) 3.966 11.481 ( -4.352 -8.372 -1.637) 9.576 11.796 ( 11.768 13.175 0.436) 17.671 12.369 ( 9.679 -13.565 0.211) 16.665 13.385 ( -10.067 6.397 -0.868) 11.959 13.564 ( -5.560 -2.383 -0.525) 6.072 18.499 ( -6.463 14.409 -3.575) 16.191 19.047 ( -4.177 -10.765 -3.278) 12.003 20.431 ( 8.562 3.635 -0.823) 9.338 20.669 ( 15.583 -6.287 0.109) 16.804 22.939 ( 5.047 10.688 0.326) 11.824 23.376 ( 4.716 -9.023 3.496) 10.765 25.396 ( -11.541 7.248 1.866) 13.755 25.482 ( -13.209 3.626 -0.591) 13.711 105.198 ( 0.150 0.568 0.437) 0.732 105.226 ( -0.531 -0.874 1.043) 1.461 105.798 ( 0.244 -1.068 -0.568) 1.234 105.834 ( -0.020 -3.011 -0.221) 3.019 ======================= Grid point 310 (160/272) ======================= q-point: (-0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -1.984 6.634 0.429) 6.937 2.326 ( 2.049 -12.134 4.329) 13.046 3.175 ( 3.960 18.582 -0.492) 19.005 3.687 ( 0.505 9.719 0.421) 9.741 3.784 ( 6.877 -9.911 0.712) 12.084 4.043 ( 2.367 -8.704 -0.469) 9.032 4.956 ( -3.384 12.719 -4.375) 13.870 5.104 ( -0.327 2.372 -0.162) 2.399 5.118 ( 1.444 2.678 -1.902) 3.588 5.161 ( -0.107 0.799 -0.503) 0.950 5.557 ( -2.893 5.392 0.168) 6.121 5.625 ( -2.456 1.528 0.076) 2.893 8.123 ( -1.909 -0.563 -1.491) 2.487 8.292 ( -6.740 -8.325 -1.803) 10.862 9.455 ( 11.056 9.107 0.964) 14.356 9.729 ( 14.501 -3.995 1.327) 15.099 10.257 ( -3.796 6.934 2.068) 8.171 10.500 ( -17.840 -6.035 3.198) 19.103 11.281 ( 3.794 -0.697 -1.180) 4.034 11.390 ( -3.714 -6.059 -2.192) 7.437 12.120 ( 18.564 10.818 -0.867) 21.503 12.533 ( 4.961 -7.986 -0.696) 9.427 13.169 ( -9.402 6.605 -0.396) 11.497 13.432 ( -6.508 -5.462 -0.441) 8.508 18.351 ( -4.963 14.648 -5.555) 16.433 18.967 ( -2.260 -14.731 -1.345) 14.964 20.593 ( 7.431 6.780 -2.250) 10.308 20.952 ( 10.862 -9.011 -0.185) 14.114 23.047 ( 4.522 12.327 1.229) 13.188 23.486 ( 3.410 -7.569 4.424) 9.407 25.179 ( -9.278 5.485 0.911) 10.817 25.215 ( -11.285 4.330 -0.638) 12.105 105.206 ( 0.338 0.358 0.717) 0.870 105.222 ( -0.482 -0.448 1.117) 1.297 105.800 ( 0.303 -1.225 -0.602) 1.398 105.831 ( -0.138 -3.023 -0.198) 3.033 ======================= Grid point 311 (161/272) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 3.014 -11.752 3.353) 12.588 2.155 ( 3.014 11.752 3.353) 12.588 3.607 ( 1.964 -16.320 -0.427) 16.443 3.607 ( 1.964 16.320 -0.427) 16.443 3.864 ( -1.664 -7.863 -0.042) 8.037 3.864 ( -1.664 7.863 -0.042) 8.037 5.086 ( 0.850 -4.591 -1.651) 4.952 5.086 ( 0.850 4.591 -1.651) 4.952 5.160 ( 0.716 -2.276 -2.703) 3.605 5.160 ( 0.716 2.276 -2.703) 3.605 5.571 ( -2.583 -1.761 0.310) 3.141 5.571 ( -2.583 1.761 0.310) 3.141 8.097 ( -0.406 -1.366 -1.666) 2.193 8.097 ( -0.406 1.366 -1.666) 2.193 9.771 ( -3.432 -10.628 0.500) 11.180 9.771 ( -3.432 10.628 0.500) 11.180 10.256 ( 0.921 -3.374 3.621) 5.034 10.256 ( 0.921 3.374 3.621) 5.034 11.290 ( 0.309 -1.146 -1.993) 2.319 11.290 ( 0.309 1.146 -1.993) 2.319 12.506 ( 1.692 -3.718 -1.357) 4.304 12.506 ( 1.692 3.718 -1.357) 4.304 13.191 ( -0.154 -7.479 0.045) 7.481 13.191 ( -0.154 7.479 0.045) 7.481 18.597 ( 0.174 -17.517 -3.340) 17.834 18.597 ( 0.174 17.517 -3.340) 17.834 20.856 ( 0.822 -10.091 -1.823) 10.287 20.856 ( 0.822 10.091 -1.823) 10.287 23.354 ( -0.939 -11.219 3.809) 11.885 23.354 ( -0.939 11.219 3.809) 11.885 25.129 ( -0.215 -0.873 -0.031) 0.900 25.129 ( -0.215 0.874 -0.031) 0.900 105.219 ( 0.019 -0.135 0.941) 0.951 105.219 ( 0.019 0.135 0.941) 0.951 105.793 ( 0.104 -0.494 -0.587) 0.774 105.793 ( 0.104 0.494 -0.587) 0.774 ======================= Grid point 313 (162/272) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 3.761 -11.950 2.448) 12.765 2.245 ( 3.761 11.950 2.448) 12.765 3.577 ( -4.232 -15.951 -1.062) 16.537 3.577 ( -4.232 15.951 -1.062) 16.537 3.822 ( -2.519 -5.316 1.021) 5.970 3.822 ( -2.519 5.316 1.021) 5.970 5.102 ( 1.204 -2.774 -1.377) 3.323 5.102 ( 1.204 2.774 -1.377) 3.323 5.173 ( 2.069 -5.196 -2.447) 6.105 5.173 ( 2.069 5.196 -2.447) 6.105 5.540 ( -0.409 -1.476 0.270) 1.555 5.540 ( -0.409 1.476 0.270) 1.555 8.132 ( 4.604 -2.756 -1.487) 5.568 8.132 ( 4.604 2.756 -1.487) 5.568 9.545 ( -15.156 -8.028 1.409) 17.208 9.545 ( -15.156 8.028 1.409) 17.208 10.393 ( 6.629 -6.108 2.213) 9.282 10.393 ( 6.629 6.108 2.213) 9.282 11.299 ( 1.945 -4.839 -1.799) 5.517 11.299 ( 1.945 4.839 -1.799) 5.517 12.388 ( -10.466 -11.215 -0.646) 15.353 12.388 ( -10.466 11.215 -0.646) 15.353 13.307 ( 9.431 -5.987 -0.320) 11.175 13.307 ( 9.431 5.987 -0.320) 11.175 18.629 ( 4.693 -19.418 -3.323) 20.252 18.629 ( 4.693 19.418 -3.323) 20.252 20.775 ( -7.421 -8.258 -1.377) 11.187 20.775 ( -7.421 8.258 -1.377) 11.187 23.294 ( -6.282 -11.442 3.169) 13.432 23.294 ( -6.282 11.442 3.169) 13.432 25.240 ( 10.054 -2.248 0.280) 10.306 25.240 ( 10.054 2.248 0.280) 10.306 105.223 ( -0.078 -0.474 0.854) 0.980 105.223 ( -0.078 0.474 0.854) 0.980 105.792 ( 0.141 -0.442 -0.575) 0.739 105.792 ( 0.141 0.442 -0.575) 0.739 ======================= Grid point 315 (163/272) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 2.098 -10.987 -0.160) 11.187 2.315 ( 2.098 10.987 -0.160) 11.187 3.458 ( -5.992 -13.942 -1.166) 15.220 3.458 ( -5.992 13.942 -1.166) 15.220 3.770 ( -3.494 -4.336 2.413) 6.069 3.770 ( -3.494 4.336 2.413) 6.069 5.108 ( 0.142 -2.439 -0.570) 2.508 5.108 ( 0.142 2.439 -0.570) 2.508 5.219 ( 3.263 -6.985 -2.050) 7.977 5.219 ( 3.263 6.985 -2.050) 7.977 5.554 ( 1.376 -1.120 0.405) 1.820 5.554 ( 1.376 1.120 0.405) 1.820 8.259 ( 8.126 -5.951 -1.152) 10.138 8.259 ( 8.126 5.951 -1.152) 10.138 9.254 ( -13.434 -8.028 1.815) 15.755 9.254 ( -13.434 8.028 1.815) 15.755 10.476 ( 0.683 -9.107 0.549) 9.149 10.476 ( 0.683 9.107 0.549) 9.149 11.359 ( 4.612 -7.412 -1.104) 8.800 11.359 ( 4.612 7.412 -1.104) 8.800 12.152 ( -11.585 -14.345 0.321) 18.442 12.152 ( -11.585 14.345 0.321) 18.442 13.498 ( 8.646 -3.316 -0.603) 9.280 13.498 ( 8.646 3.316 -0.603) 9.280 18.740 ( 7.635 -20.646 -3.219) 22.247 18.740 ( 7.635 20.646 -3.219) 22.247 20.570 ( -11.409 -4.699 -0.517) 12.350 20.570 ( -11.409 4.699 -0.517) 12.350 23.168 ( -6.828 -11.349 2.092) 13.409 23.168 ( -6.828 11.349 2.092) 13.409 25.484 ( 12.341 -3.322 0.737) 12.801 25.484 ( 12.341 3.322 0.737) 12.801 105.224 ( -0.233 -0.788 0.649) 1.047 105.224 ( -0.233 0.788 0.649) 1.047 105.792 ( 0.183 -0.606 -0.547) 0.836 105.792 ( 0.183 0.606 -0.547) 0.836 ======================= Grid point 317 (164/272) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -0.924 -9.246 -3.070) 9.786 2.318 ( -0.924 9.246 -3.070) 9.786 3.349 ( -3.892 -8.868 -0.527) 9.699 3.349 ( -3.892 8.868 -0.527) 9.699 3.718 ( -2.765 -4.424 3.404) 6.230 3.718 ( -2.765 4.424 3.404) 6.230 5.109 ( 0.242 -1.914 -0.622) 2.027 5.109 ( 0.242 1.914 -0.622) 2.027 5.266 ( 2.038 -5.165 -1.182) 5.677 5.266 ( 2.038 5.165 -1.182) 5.677 5.593 ( 1.921 -0.751 0.843) 2.228 5.593 ( 1.921 0.751 0.843) 2.228 8.419 ( 7.167 -6.911 -0.800) 9.988 8.419 ( 7.167 6.911 -0.800) 9.988 9.046 ( -7.516 -9.912 1.840) 12.575 9.046 ( -7.516 9.912 1.840) 12.575 10.460 ( -0.930 -6.856 -0.637) 6.948 10.460 ( -0.930 6.856 -0.637) 6.948 11.451 ( 4.035 -8.576 -0.309) 9.483 11.451 ( 4.035 8.576 -0.309) 9.483 11.945 ( -8.598 -13.222 0.875) 15.796 11.945 ( -8.598 13.222 0.875) 15.796 13.632 ( 4.758 -1.239 -0.698) 4.966 13.632 ( 4.758 1.239 -0.698) 4.966 18.883 ( 7.377 -20.358 -3.051) 21.867 18.883 ( 7.377 20.358 -3.051) 21.867 20.346 ( -9.464 -1.723 0.109) 9.620 20.346 ( -9.464 1.723 0.109) 9.620 23.062 ( -4.176 -10.890 1.375) 11.744 23.062 ( -4.176 10.890 1.375) 11.744 25.703 ( 7.809 -3.890 1.011) 8.782 25.703 ( 7.809 3.890 1.011) 8.782 105.221 ( -0.354 -0.959 0.447) 1.116 105.221 ( -0.354 0.959 0.447) 1.116 105.793 ( 0.204 -0.783 -0.519) 0.962 105.793 ( 0.204 0.783 -0.519) 0.962 ======================= Grid point 319 (165/272) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -2.918 -6.460 -4.367) 8.326 2.254 ( -2.918 6.460 -4.367) 8.326 3.299 ( -0.794 -4.035 -0.128) 4.114 3.299 ( -0.794 4.035 -0.128) 4.114 3.708 ( -0.019 -5.012 3.690) 6.224 3.708 ( -0.019 5.012 3.690) 6.224 5.109 ( 0.001 -0.795 -0.498) 0.938 5.109 ( 0.001 0.795 -0.498) 0.938 5.285 ( 0.591 -2.174 -1.379) 2.641 5.285 ( 0.591 2.174 -1.379) 2.641 5.635 ( 1.487 -0.260 1.390) 2.053 5.635 ( 1.487 0.260 1.390) 2.053 8.500 ( 0.529 -5.753 -0.615) 5.810 8.500 ( 0.529 5.753 -0.615) 5.810 8.985 ( 0.675 -11.832 1.728) 11.977 8.985 ( 0.675 11.832 1.728) 11.977 10.473 ( 3.012 -2.774 -0.958) 4.205 10.473 ( 3.012 2.774 -0.958) 4.205 11.482 ( -1.641 -9.136 0.010) 9.282 11.482 ( -1.641 9.136 0.010) 9.282 11.840 ( -1.443 -10.927 0.974) 11.065 11.840 ( -1.443 10.927 0.974) 11.065 13.678 ( 0.125 -0.467 -0.718) 0.865 13.678 ( 0.125 0.467 -0.718) 0.865 18.972 ( 2.251 -17.814 -3.004) 18.205 18.972 ( 2.251 17.814 -3.004) 18.205 20.229 ( -1.256 -2.459 0.354) 2.784 20.229 ( -1.256 2.459 0.354) 2.784 23.022 ( -0.264 -10.674 1.164) 10.741 23.022 ( -0.264 10.674 1.164) 10.741 25.790 ( -0.109 -3.876 1.090) 4.028 25.790 ( -0.109 3.876 1.090) 4.028 105.216 ( -0.370 -0.991 0.365) 1.119 105.216 ( -0.370 0.991 0.365) 1.119 105.795 ( 0.191 -0.890 -0.508) 1.043 105.795 ( 0.191 0.890 -0.508) 1.043 ======================= Grid point 321 (166/272) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -3.027 -4.144 -3.282) 6.092 2.169 ( -3.027 4.144 -3.282) 6.092 3.317 ( 2.669 -7.865 -0.258) 8.309 3.317 ( 2.669 7.865 -0.258) 8.309 3.754 ( 2.419 -6.314 3.071) 7.427 3.754 ( 2.419 6.314 3.071) 7.427 5.101 ( -0.665 -0.385 0.236) 0.804 5.101 ( -0.665 0.385 0.236) 0.804 5.275 ( -0.468 -0.675 -2.780) 2.899 5.275 ( -0.468 0.675 -2.780) 2.899 5.663 ( 0.321 -0.565 1.590) 1.717 5.663 ( 0.321 0.565 1.590) 1.717 8.438 ( -5.571 -6.254 -0.848) 8.419 8.438 ( -5.571 6.254 -0.848) 8.419 9.088 ( 8.185 -10.209 1.799) 13.208 9.088 ( 8.185 10.209 1.799) 13.208 10.549 ( 3.505 -8.564 -0.436) 9.264 10.549 ( 3.505 8.564 -0.436) 9.264 11.401 ( -4.837 -8.296 -0.548) 9.619 11.401 ( -4.837 8.296 -0.548) 9.619 11.898 ( 6.034 -13.504 0.897) 14.818 11.898 ( 6.034 13.504 0.897) 14.818 13.630 ( -4.448 -2.248 -0.683) 5.030 13.630 ( -4.448 2.248 -0.683) 5.030 18.928 ( -4.482 -14.540 -3.123) 15.532 18.928 ( -4.482 14.540 -3.123) 15.532 20.311 ( 8.633 -2.969 0.189) 9.131 20.311 ( 8.633 2.969 0.189) 9.131 23.063 ( 3.408 -10.935 1.427) 11.542 23.063 ( 3.408 10.935 1.427) 11.542 25.709 ( -8.073 -3.299 0.986) 8.777 25.709 ( -8.073 3.299 0.986) 8.777 105.211 ( -0.273 -0.906 0.450) 1.048 105.211 ( -0.273 0.906 0.450) 1.048 105.795 ( 0.154 -0.917 -0.519) 1.065 105.795 ( 0.154 0.917 -0.519) 1.065 ======================= Grid point 323 (167/272) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -1.704 -6.515 -0.594) 6.761 2.108 ( -1.704 6.515 -0.594) 6.761 3.401 ( 5.623 -12.617 -0.519) 13.823 3.401 ( 5.623 12.617 -0.519) 13.823 3.825 ( 2.827 -7.719 1.845) 8.425 3.825 ( 2.827 7.719 1.845) 8.425 5.089 ( -0.708 -0.919 0.735) 1.373 5.089 ( -0.708 0.919 0.735) 1.373 5.235 ( -1.512 -2.243 -4.072) 4.888 5.235 ( -1.512 2.243 -4.072) 4.888 5.662 ( -1.225 -1.134 1.224) 2.070 5.662 ( -1.225 1.134 1.224) 2.070 8.296 ( -7.075 -6.075 -1.262) 9.410 8.296 ( -7.075 6.075 -1.262) 9.410 9.322 ( 13.429 -7.320 1.756) 15.394 9.322 ( 13.429 7.320 1.756) 15.394 10.547 ( -4.780 -11.384 1.122) 12.398 10.547 ( -4.780 11.385 1.122) 12.398 11.323 ( -1.855 -6.733 -1.686) 7.184 11.323 ( -1.855 6.733 -1.686) 7.184 12.082 ( 11.517 -14.557 0.348) 18.565 12.082 ( 11.517 14.557 0.348) 18.565 13.496 ( -8.226 -4.490 -0.579) 9.389 13.496 ( -8.226 4.490 -0.579) 9.389 18.790 ( -6.508 -14.078 -3.247) 15.845 18.790 ( -6.508 14.078 -3.247) 15.845 20.537 ( 12.420 -6.385 -0.487) 13.974 20.537 ( 12.420 6.385 -0.487) 13.974 23.167 ( 5.539 -11.333 2.178) 12.801 23.167 ( 5.539 11.333 2.178) 12.801 25.495 ( -12.695 -2.267 0.692) 12.915 25.495 ( -12.695 2.267 0.692) 12.915 105.210 ( -0.121 -0.706 0.654) 0.970 105.210 ( -0.121 0.706 0.654) 0.970 105.795 ( 0.114 -0.855 -0.547) 1.021 105.795 ( 0.114 0.855 -0.547) 1.021 ======================= Grid point 325 (168/272) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 0.659 -9.878 2.123) 10.125 2.100 ( 0.659 9.878 2.123) 10.125 3.522 ( 5.892 -15.489 -0.497) 16.579 3.522 ( 5.892 15.489 -0.497) 16.579 3.873 ( 0.910 -8.530 0.529) 8.595 3.873 ( 0.910 8.530 0.529) 8.595 5.084 ( -0.063 -2.767 0.082) 2.769 5.084 ( -0.063 2.767 0.082) 2.769 5.181 ( -1.111 -2.347 -4.103) 4.856 5.181 ( -1.111 2.347 -4.103) 4.856 5.626 ( -2.690 -1.636 0.632) 3.211 5.626 ( -2.690 1.636 0.632) 3.211 8.162 ( -4.832 -4.342 -1.586) 6.687 8.162 ( -4.832 4.342 -1.586) 6.687 9.619 ( 13.688 -6.900 1.243) 15.379 9.619 ( 13.688 6.900 1.243) 15.379 10.383 ( -10.950 -5.756 2.679) 12.657 10.383 ( -10.950 5.756 2.679) 12.657 11.298 ( -0.003 -2.723 -2.080) 3.427 11.298 ( -0.003 2.723 -2.080) 3.427 12.340 ( 12.673 -10.639 -0.675) 16.560 12.340 ( 12.673 10.639 -0.675) 16.560 13.308 ( -9.104 -6.762 -0.305) 11.344 13.308 ( -9.104 6.762 -0.305) 11.344 18.658 ( -4.214 -15.557 -3.314) 16.455 18.658 ( -4.214 15.557 -3.314) 16.455 20.761 ( 9.010 -9.400 -1.392) 13.095 20.761 ( 9.010 9.400 -1.392) 13.095 23.291 ( 4.553 -11.363 3.242) 12.663 23.291 ( 4.553 11.363 3.242) 12.663 25.248 ( -10.463 -1.032 0.240) 10.517 25.248 ( -10.463 1.032 0.240) 10.517 105.213 ( -0.000 -0.393 0.858) 0.944 105.213 ( -0.000 0.393 0.858) 0.944 105.794 ( 0.093 -0.696 -0.575) 0.907 105.794 ( 0.093 0.696 -0.575) 0.907 ======================= Grid point 375 (169/272) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -0.394 0.000 8.084) 8.094 0.992 ( 0.970 0.000 9.386) 9.436 2.039 ( -1.685 0.000 17.584) 17.665 2.918 ( 0.759 0.000 -3.649) 3.727 2.988 ( 0.770 0.000 -3.244) 3.334 3.406 ( -0.379 0.000 1.311) 1.365 3.724 ( -3.759 0.000 2.463) 4.494 3.978 ( 3.117 0.000 -2.600) 4.059 4.275 ( 3.214 0.000 -1.061) 3.385 5.006 ( 1.256 0.000 2.119) 2.463 5.972 ( 3.112 0.000 1.570) 3.486 6.790 ( -8.757 0.000 -8.347) 12.098 8.110 ( -0.412 0.000 -0.215) 0.465 8.738 ( 1.773 0.000 -0.427) 1.824 9.390 ( 1.659 0.000 -0.547) 1.747 9.445 ( 0.791 0.000 1.062) 1.324 9.648 ( -0.480 0.000 -0.158) 0.506 10.674 ( 0.175 0.000 -0.065) 0.187 10.777 ( 1.665 0.000 2.007) 2.608 11.401 ( -1.979 0.000 -0.471) 2.035 12.308 ( 0.484 0.000 1.192) 1.287 12.512 ( 0.720 0.000 -0.680) 0.990 13.215 ( -0.065 0.000 0.512) 0.516 14.423 ( -0.404 0.000 -1.526) 1.578 16.564 ( 1.259 0.000 4.837) 4.998 17.242 ( -1.967 0.000 -4.013) 4.469 21.584 ( 0.621 0.000 -0.892) 1.086 21.636 ( -1.179 0.000 -0.175) 1.191 21.934 ( 1.854 0.000 1.822) 2.599 22.137 ( 0.263 0.000 2.052) 2.069 24.323 ( -0.038 0.000 -0.559) 0.561 24.832 ( 0.063 0.000 1.628) 1.629 105.239 ( 1.677 0.000 1.340) 2.146 105.297 ( -4.314 0.000 -0.737) 4.377 106.241 ( -0.638 0.000 1.158) 1.322 106.967 ( -0.601 0.000 -1.042) 1.203 ======================= Grid point 376 (170/272) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 15.024 0.000 5.242) 15.913 1.248 ( 24.594 0.000 5.069) 25.111 2.054 ( -4.899 0.000 13.149) 14.032 2.892 ( -1.731 0.000 -3.152) 3.596 3.001 ( 0.955 0.000 -0.559) 1.106 3.433 ( 3.822 0.000 -1.758) 4.207 3.655 ( -4.276 0.000 2.964) 5.203 4.016 ( 1.980 0.000 -2.843) 3.465 4.295 ( -0.104 0.000 -3.386) 3.387 4.987 ( -4.114 0.000 0.855) 4.202 5.918 ( -9.231 0.000 -2.349) 9.526 6.401 ( -19.262 0.000 4.380) 19.754 8.108 ( 0.250 0.000 0.251) 0.355 9.050 ( 17.573 0.000 -2.131) 17.701 9.347 ( -8.410 0.000 0.201) 8.412 9.471 ( 11.053 0.000 -3.288) 11.532 9.706 ( 4.030 0.000 0.160) 4.033 10.698 ( 2.107 0.000 -0.228) 2.119 10.866 ( 4.539 0.000 -1.364) 4.740 11.349 ( -1.512 0.000 2.680) 3.077 12.295 ( -1.640 0.000 -1.180) 2.020 12.542 ( 1.750 0.000 -0.427) 1.802 13.215 ( 0.129 0.000 0.354) 0.376 14.318 ( -8.278 0.000 -0.063) 8.279 16.610 ( 1.055 0.000 2.420) 2.640 17.182 ( -2.125 0.000 -1.116) 2.400 21.595 ( 1.061 0.000 -1.290) 1.670 21.728 ( 9.309 0.000 -0.310) 9.314 22.136 ( -1.236 0.000 1.240) 1.751 22.142 ( 17.027 0.000 -2.178) 17.166 24.290 ( -2.804 0.000 -0.176) 2.809 24.792 ( -4.629 0.000 1.140) 4.768 105.217 ( -3.042 0.000 0.394) 3.068 105.292 ( 2.163 0.000 2.572) 3.361 106.230 ( -1.009 0.000 1.403) 1.728 106.877 ( -7.383 0.000 1.162) 7.474 ======================= Grid point 377 (171/272) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 19.928 0.000 1.817) 20.011 1.711 ( 12.304 0.000 4.085) 12.965 2.044 ( 0.962 0.000 9.843) 9.890 2.799 ( -6.569 0.000 -1.545) 6.748 3.063 ( 6.991 0.000 2.730) 7.505 3.528 ( 6.135 0.000 -4.360) 7.526 3.598 ( -2.316 0.000 1.930) 3.015 4.025 ( 0.420 0.000 -2.381) 2.418 4.242 ( -2.238 0.000 -5.479) 5.919 4.835 ( -11.222 0.000 -0.533) 11.234 5.645 ( -12.335 0.000 -3.137) 12.727 6.163 ( -9.394 0.000 6.338) 11.332 8.124 ( 1.060 0.000 0.819) 1.340 9.161 ( -9.243 0.000 -0.341) 9.249 9.195 ( 0.865 0.000 0.846) 1.210 9.775 ( 2.578 0.000 0.083) 2.580 9.834 ( 21.094 0.000 -4.971) 21.672 10.747 ( 2.582 0.000 -0.403) 2.614 10.862 ( -2.957 0.000 -2.021) 3.582 11.430 ( 5.253 0.000 4.127) 6.680 12.258 ( 0.821 0.000 -3.638) 3.730 12.546 ( -1.801 0.000 0.436) 1.853 13.247 ( 3.383 0.000 0.433) 3.410 14.129 ( -9.464 0.000 -0.851) 9.502 16.622 ( -0.390 0.000 -1.048) 1.118 17.157 ( -0.614 0.000 2.806) 2.873 21.611 ( 1.240 0.000 -1.711) 2.113 21.958 ( 12.253 0.000 -0.778) 12.278 22.103 ( -2.364 0.000 0.462) 2.409 22.535 ( 21.963 0.000 -3.518) 22.243 24.222 ( -3.494 0.000 0.046) 3.494 24.663 ( -8.276 0.000 0.407) 8.286 105.176 ( -1.388 0.000 1.036) 1.732 105.354 ( 2.239 0.000 3.124) 3.844 106.221 ( -0.560 0.000 1.722) 1.811 106.713 ( -9.170 0.000 2.636) 9.541 ======================= Grid point 378 (172/272) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -5.476 0.000 5.155) 7.521 2.007 ( 19.427 0.000 -0.121) 19.428 2.197 ( 4.917 0.000 9.297) 10.518 2.597 ( -13.015 0.000 0.751) 13.036 3.373 ( 20.606 0.000 3.028) 20.827 3.589 ( 0.949 0.000 -0.030) 0.950 3.595 ( 2.565 0.000 -5.302) 5.890 4.008 ( -0.990 0.000 -1.455) 1.760 4.164 ( -2.346 0.000 -5.241) 5.742 4.525 ( -18.119 0.000 -1.948) 18.223 5.445 ( -6.102 0.000 -1.822) 6.368 6.041 ( -5.075 0.000 3.209) 6.005 8.157 ( 1.529 0.000 1.238) 1.968 8.991 ( -6.628 0.000 -0.658) 6.660 9.197 ( -0.395 0.000 0.864) 0.950 9.813 ( 1.166 0.000 -0.017) 1.166 10.136 ( 9.706 0.000 -1.869) 9.884 10.789 ( 1.609 0.000 -0.488) 1.682 10.815 ( 0.392 0.000 -1.418) 1.472 11.476 ( -3.109 0.000 3.171) 4.440 12.337 ( 8.689 0.000 -4.517) 9.793 12.480 ( -4.558 0.000 0.940) 4.654 13.365 ( 7.629 0.000 1.134) 7.713 13.930 ( -9.297 0.000 -2.855) 9.725 16.587 ( -1.871 0.000 -2.288) 2.956 17.186 ( 1.325 0.000 4.217) 4.420 21.625 ( 1.040 0.000 -1.923) 2.186 22.053 ( -2.449 0.000 0.182) 2.456 22.166 ( 7.876 0.000 -1.287) 7.980 22.950 ( 18.994 0.000 -1.868) 19.085 24.168 ( -1.362 0.000 0.028) 1.362 24.476 ( -9.444 0.000 -0.804) 9.478 105.167 ( -0.281 0.000 1.046) 1.083 105.412 ( 1.801 0.000 2.914) 3.425 106.229 ( 0.149 0.000 2.505) 2.510 106.555 ( -7.328 0.000 2.462) 7.731 ======================= Grid point 379 (173/272) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -7.429 0.000 9.492) 12.053 2.259 ( -14.258 0.000 1.501) 14.337 2.332 ( 4.564 0.000 5.695) 7.298 2.393 ( 11.717 0.000 0.424) 11.724 3.551 ( -2.441 0.000 -4.077) 4.752 3.629 ( 3.318 0.000 -2.260) 4.014 3.795 ( 6.351 0.000 0.485) 6.369 3.973 ( -1.937 0.000 -0.001) 1.937 4.044 ( -5.308 0.000 2.320) 5.793 4.204 ( -4.069 0.000 -5.718) 7.018 5.366 ( -1.192 0.000 -0.214) 1.211 6.011 ( 1.520 0.000 0.796) 1.715 8.188 ( 0.536 0.000 1.052) 1.181 8.907 ( -0.853 0.000 -0.359) 0.925 9.199 ( 0.289 0.000 0.505) 0.582 9.824 ( 0.060 0.000 -0.073) 0.094 10.231 ( 1.278 0.000 -0.368) 1.330 10.802 ( -0.049 0.000 -0.427) 0.430 10.812 ( -2.371 0.000 -0.556) 2.435 11.436 ( 0.705 0.000 1.788) 1.922 12.385 ( -5.082 0.000 0.080) 5.083 12.492 ( 7.593 0.000 -4.141) 8.649 13.557 ( 9.740 0.000 1.734) 9.893 13.715 ( -9.672 0.000 -3.889) 10.424 16.535 ( -2.192 0.000 -0.853) 2.352 17.244 ( 2.220 0.000 2.564) 3.392 21.628 ( 0.268 0.000 -1.890) 1.909 22.016 ( -1.132 0.000 0.653) 1.307 22.242 ( -0.008 0.000 -1.016) 1.016 23.212 ( 6.068 0.000 -3.703) 7.109 24.172 ( 0.707 0.000 0.395) 0.810 24.323 ( -2.406 0.000 -1.372) 2.770 105.171 ( 0.126 0.000 0.794) 0.804 105.456 ( 1.210 0.000 1.789) 2.160 106.247 ( -0.340 0.000 3.448) 3.465 106.465 ( -2.218 0.000 2.491) 3.336 ======================= Grid point 380 (174/272) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -5.004 0.000 13.764) 14.646 1.871 ( -22.199 0.000 4.856) 22.724 2.388 ( -4.373 0.000 2.084) 4.844 2.656 ( 11.288 0.000 -1.275) 11.360 3.432 ( -15.081 0.000 -0.110) 15.081 3.474 ( -10.258 0.000 -1.582) 10.379 3.691 ( 4.466 0.000 -4.374) 6.251 3.935 ( -2.247 0.000 1.888) 2.935 4.101 ( 0.259 0.000 -2.249) 2.264 4.390 ( 16.675 0.000 2.688) 16.890 5.402 ( 4.796 0.000 0.702) 4.847 6.116 ( 8.341 0.000 0.436) 8.353 8.184 ( -1.156 0.000 0.246) 1.182 8.959 ( 5.665 0.000 0.540) 5.690 9.216 ( 1.371 0.000 0.016) 1.371 9.814 ( -1.038 0.000 -0.088) 1.042 10.166 ( -8.786 0.000 -2.723) 9.198 10.741 ( -1.978 0.000 1.797) 2.673 10.783 ( -1.637 0.000 -0.255) 1.657 11.527 ( 5.206 0.000 0.248) 5.211 12.272 ( -5.314 0.000 -1.794) 5.609 12.582 ( 3.042 0.000 -2.771) 4.115 13.469 ( -10.136 0.000 -3.654) 10.775 13.804 ( 11.803 0.000 2.112) 11.990 16.497 ( -1.573 0.000 1.572) 2.224 17.295 ( 1.957 0.000 -0.345) 1.987 21.615 ( -0.569 0.000 -1.597) 1.695 22.019 ( 0.761 0.000 1.572) 1.747 22.160 ( -7.238 0.000 -0.400) 7.249 23.100 ( -13.074 0.000 -9.801) 16.340 24.174 ( 1.195 0.000 -0.341) 1.242 24.418 ( 9.040 0.000 1.363) 9.142 105.178 ( 0.231 0.000 0.495) 0.546 105.478 ( 0.272 0.000 -0.109) 0.293 106.244 ( -1.270 0.000 2.590) 2.885 106.510 ( 4.604 0.000 4.746) 6.612 ======================= Grid point 381 (175/272) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -22.292 0.000 7.540) 23.533 1.562 ( -8.122 0.000 13.893) 16.093 2.104 ( -20.602 0.000 5.599) 21.349 2.825 ( 6.396 0.000 -2.205) 6.766 3.172 ( -7.102 0.000 -3.168) 7.777 3.386 ( -2.109 0.000 3.420) 4.018 3.753 ( 3.719 0.000 -4.822) 6.090 3.909 ( -1.264 0.000 2.847) 3.115 4.115 ( 2.627 0.000 -1.071) 2.837 4.704 ( 11.929 0.000 4.049) 12.598 5.567 ( 10.774 0.000 0.638) 10.792 6.347 ( 14.234 0.000 -0.393) 14.240 8.154 ( -1.499 0.000 -0.350) 1.539 9.122 ( 9.177 0.000 1.184) 9.253 9.253 ( 2.178 0.000 -1.024) 2.407 9.779 ( -2.424 0.000 -0.086) 2.426 9.814 ( -23.074 0.000 -5.008) 23.611 10.738 ( -2.446 0.000 -0.077) 2.447 10.779 ( 2.894 0.000 1.381) 3.207 11.542 ( -4.244 0.000 -2.276) 4.815 12.199 ( 0.258 0.000 -0.305) 0.399 12.588 ( -1.324 0.000 -0.885) 1.592 13.286 ( -5.762 0.000 -1.445) 5.940 14.071 ( 13.312 0.000 1.127) 13.360 16.490 ( -0.519 0.000 3.818) 3.853 17.314 ( 0.836 0.000 -3.056) 3.168 21.594 ( -0.603 0.000 -1.120) 1.272 21.971 ( -10.389 0.000 -0.426) 10.398 22.058 ( 1.746 0.000 2.305) 2.891 22.637 ( -24.849 0.000 -10.407) 26.940 24.228 ( 3.742 0.000 -0.532) 3.780 24.619 ( 8.660 0.000 2.259) 8.949 105.187 ( 0.488 0.000 0.392) 0.626 105.460 ( -1.621 0.000 -1.911) 2.506 106.238 ( -0.367 0.000 1.394) 1.442 106.685 ( 9.200 0.000 5.115) 10.526 ======================= Grid point 382 (176/272) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -15.457 0.000 10.015) 18.418 1.208 ( -27.327 0.000 7.248) 28.272 1.957 ( -1.753 0.000 17.580) 17.667 2.901 ( 2.881 0.000 -3.196) 4.303 3.038 ( -4.077 0.000 -3.348) 5.276 3.399 ( 0.238 0.000 3.094) 3.103 3.769 ( -0.829 0.000 -0.589) 1.017 3.927 ( 2.258 0.000 -0.394) 2.292 4.191 ( 4.636 0.000 -0.058) 4.636 4.913 ( 6.488 0.000 3.506) 7.374 5.810 ( 11.096 0.000 1.335) 11.176 6.674 ( 18.068 0.000 -6.335) 19.146 8.126 ( -1.008 0.000 -0.458) 1.107 9.119 ( -25.758 0.000 -5.800) 26.403 9.318 ( 8.805 0.000 1.329) 8.905 9.376 ( -3.784 0.000 0.784) 3.864 9.714 ( -3.914 0.000 -0.127) 3.916 10.692 ( -1.816 0.000 -0.001) 1.816 10.792 ( -2.477 0.000 1.478) 2.884 11.433 ( -2.548 0.000 -1.316) 2.867 12.258 ( 3.407 0.000 1.613) 3.770 12.537 ( -2.599 0.000 -0.222) 2.609 13.219 ( -1.095 0.000 0.166) 1.107 14.325 ( 10.292 0.000 -1.108) 10.351 16.516 ( 0.558 0.000 5.132) 5.162 17.294 ( -0.691 0.000 -4.534) 4.587 21.582 ( -0.024 0.000 -0.806) 0.806 21.763 ( -8.961 0.000 -1.457) 9.078 22.105 ( 1.454 0.000 2.481) 2.876 22.109 ( -19.694 0.000 -1.291) 19.736 24.297 ( 2.857 0.000 -0.688) 2.939 24.771 ( 4.864 0.000 2.081) 5.290 105.205 ( 1.037 0.000 0.695) 1.249 105.392 ( -3.749 0.000 -2.174) 4.334 106.241 ( -0.063 0.000 0.982) 0.984 106.891 ( 7.864 0.000 1.008) 7.928 ======================= Grid point 383 (177/272) ======================= q-point: ( 0.00 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -4.134 15.041 6.903) 17.058 1.371 ( 3.626 29.686 7.982) 30.953 1.984 ( -2.031 -3.059 12.943) 13.454 2.989 ( -1.051 1.900 -1.573) 2.681 3.118 ( 2.466 16.095 -3.652) 16.687 3.407 ( -0.363 0.344 1.869) 1.935 3.897 ( -3.559 15.625 0.459) 16.031 4.086 ( 3.159 10.327 -2.413) 11.065 4.270 ( 3.065 -0.427 -0.968) 3.243 4.953 ( 1.006 -4.896 1.910) 5.351 5.927 ( 3.722 -4.411 1.662) 6.007 6.346 ( -7.664 -29.350 -2.384) 30.427 8.597 ( -14.178 26.110 -2.520) 29.818 8.768 ( 14.365 5.004 -2.098) 15.355 9.366 ( 0.788 3.907 -1.651) 4.314 9.552 ( -4.686 2.363 0.061) 5.248 9.567 ( 5.848 -2.104 -0.553) 6.239 10.459 ( 0.173 -12.684 0.461) 12.694 10.967 ( 1.407 10.744 1.468) 10.935 11.407 ( -1.293 0.828 -0.550) 1.631 12.265 ( 0.528 -3.809 2.054) 4.360 12.458 ( -0.875 -4.864 -0.310) 4.952 13.205 ( -0.110 -0.952 0.514) 1.087 14.220 ( 0.615 -15.048 1.165) 15.105 16.807 ( -1.530 15.493 -8.218) 17.604 17.667 ( 1.082 41.025 -1.542) 41.068 21.256 ( 0.982 -19.963 -0.743) 20.001 21.465 ( -1.134 -13.053 0.740) 13.123 22.244 ( -0.301 15.557 3.839) 16.026 22.362 ( 1.982 20.917 -1.564) 21.069 24.316 ( -0.396 -0.310 -0.407) 0.647 24.833 ( -0.017 0.092 1.732) 1.735 105.237 ( 1.701 -0.117 1.320) 2.156 105.288 ( -4.086 -0.870 -0.450) 4.202 106.200 ( -0.467 -3.745 1.032) 3.913 106.858 ( -0.635 -9.980 1.105) 10.060 ======================= Grid point 384 (178/272) ======================= q-point: ( 0.12 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 12.237 7.138 7.202) 15.892 1.665 ( 18.610 27.491 4.330) 33.479 1.986 ( -3.752 -4.182 9.297) 10.863 2.976 ( 0.061 3.585 0.449) 3.613 3.123 ( -0.655 14.904 -2.897) 15.197 3.429 ( 2.707 0.199 -0.571) 2.774 3.822 ( -3.760 15.082 0.882) 15.568 4.119 ( 1.248 9.510 -2.643) 9.949 4.295 ( 0.561 0.440 -3.120) 3.200 4.932 ( -4.000 -5.118 0.879) 6.555 5.857 ( -10.828 -6.180 -2.429) 12.702 6.169 ( -7.290 -17.255 5.408) 19.497 8.276 ( -10.769 11.180 1.085) 15.562 9.156 ( 10.976 -0.448 -1.957) 11.158 9.275 ( -3.980 5.333 -1.400) 6.800 9.527 ( 4.036 -1.493 -0.927) 4.402 9.719 ( 9.227 5.425 -2.313) 10.951 10.548 ( 6.689 -8.239 -1.102) 10.670 11.031 ( 3.384 10.525 -0.940) 11.095 11.349 ( -2.140 -0.011 2.066) 2.975 12.260 ( -1.377 -3.152 -0.615) 3.494 12.474 ( 1.767 -5.538 1.104) 5.917 13.206 ( 0.209 -0.876 0.360) 0.970 14.179 ( -4.680 -11.208 0.288) 12.149 16.744 ( -1.198 10.823 -3.217) 11.354 17.611 ( -5.057 38.593 -1.060) 38.937 21.282 ( 1.765 -19.877 -0.637) 19.965 21.552 ( 8.254 -15.196 -1.040) 17.324 22.282 ( 1.496 13.171 2.558) 13.501 22.501 ( 12.797 23.127 -3.532) 26.667 24.289 ( -2.030 0.286 0.211) 2.061 24.798 ( -4.132 0.586 1.259) 4.359 105.214 ( -2.876 -0.262 0.475) 2.927 105.289 ( 2.162 -0.272 2.405) 3.245 106.193 ( -0.706 -3.390 1.174) 3.657 106.788 ( -6.438 -8.322 2.100) 10.729 ======================= Grid point 385 (179/272) ======================= q-point: ( 0.25 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 15.446 0.333 6.446) 16.741 1.953 ( 0.903 5.422 0.732) 5.545 2.059 ( 12.491 13.821 8.851) 20.625 2.974 ( -3.670 14.174 -0.647) 14.656 3.117 ( 5.640 6.586 1.468) 8.794 3.493 ( 3.451 -1.388 -2.613) 4.546 3.773 ( -0.885 14.553 -0.147) 14.581 4.100 ( -1.662 5.114 -2.904) 6.112 4.273 ( -0.281 4.872 -4.282) 6.493 4.789 ( -10.495 -4.258 -0.271) 11.329 5.596 ( -10.841 -4.569 -2.480) 12.023 6.077 ( -5.859 -7.655 5.545) 11.121 8.154 ( -2.953 2.807 1.477) 4.333 9.059 ( -8.298 -8.711 -0.339) 12.036 9.293 ( -0.787 8.294 -0.115) 8.332 9.644 ( 4.304 -8.831 -0.394) 9.831 9.961 ( 15.286 6.543 -3.536) 17.000 10.628 ( 0.811 -4.955 -1.215) 5.166 11.012 ( -3.266 8.807 -1.688) 9.544 11.459 ( 9.043 2.752 3.245) 9.994 12.231 ( 1.099 -2.923 -3.312) 4.552 12.507 ( 0.073 -2.316 1.744) 2.900 13.234 ( 2.694 -1.390 0.508) 3.073 14.052 ( -7.130 -6.842 -1.315) 9.969 16.727 ( 0.089 9.586 0.336) 9.592 17.487 ( -5.950 30.124 -0.532) 30.711 21.325 ( 2.673 -20.596 -0.499) 20.775 21.708 ( 6.651 -17.049 -1.973) 18.406 22.330 ( 2.614 12.990 0.168) 13.251 22.808 ( 18.130 20.815 -3.104) 27.778 24.247 ( -2.042 2.847 0.569) 3.549 24.686 ( -7.171 2.299 0.505) 7.548 105.176 ( -1.319 -0.031 0.973) 1.639 105.349 ( 2.171 -0.456 2.951) 3.692 106.189 ( -0.332 -3.025 1.450) 3.371 106.647 ( -8.203 -6.297 2.775) 10.707 ======================= Grid point 386 (180/272) ======================= q-point: ( 0.38 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -1.010 0.109 6.840) 6.916 2.095 ( 11.296 3.025 2.024) 11.868 2.281 ( 7.427 12.416 6.785) 15.979 2.798 ( -12.001 17.347 0.122) 21.094 3.415 ( 19.593 4.464 2.301) 20.226 3.519 ( 1.124 -2.648 -4.251) 5.133 3.781 ( 1.430 13.548 -1.112) 13.669 4.036 ( -2.607 0.189 -2.452) 3.584 4.244 ( -0.540 9.858 -3.623) 10.516 4.502 ( -16.843 -2.040 -1.507) 17.033 5.420 ( -5.447 -2.364 -1.730) 6.185 5.996 ( -3.781 -4.269 2.873) 6.385 8.143 ( 0.413 -1.030 1.662) 1.999 8.908 ( -5.934 -7.588 -0.531) 9.647 9.266 ( -1.164 6.323 -0.005) 6.429 9.689 ( 0.961 -10.064 -0.084) 10.110 10.209 ( 8.936 4.563 -1.549) 10.153 10.608 ( -0.278 -9.947 -0.152) 9.952 10.940 ( -3.167 5.790 -1.595) 6.789 11.586 ( 0.976 9.647 2.752) 10.079 12.316 ( 8.004 -4.061 -4.063) 9.851 12.496 ( -1.193 3.736 1.024) 4.054 13.332 ( 6.504 -3.217 1.351) 7.381 13.883 ( -8.353 -4.434 -3.041) 9.934 16.741 ( 0.612 13.420 1.386) 13.506 17.385 ( -3.624 19.448 -0.263) 19.785 21.375 ( 2.472 -20.040 -1.213) 20.229 21.783 ( 1.693 -17.011 -0.866) 17.117 22.381 ( 2.340 10.642 -1.359) 10.980 23.156 ( 15.985 16.354 -1.210) 22.901 24.223 ( -0.352 5.785 0.445) 5.813 24.527 ( -7.786 5.205 -0.688) 9.391 105.166 ( -0.287 -0.022 0.960) 1.002 105.405 ( 1.684 -0.714 2.809) 3.352 106.198 ( 0.181 -2.947 2.171) 3.665 106.506 ( -6.601 -4.684 2.405) 8.444 ======================= Grid point 387 (181/272) ======================= q-point: (-0.50 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -6.268 4.017 9.629) 12.171 2.229 ( -2.442 -0.011 4.779) 5.366 2.526 ( 2.374 14.686 2.148) 15.031 2.561 ( 1.945 15.719 0.557) 15.849 3.481 ( -2.012 -3.485 -4.463) 6.009 3.773 ( 4.617 1.008 0.532) 4.756 3.798 ( -0.563 9.612 -1.611) 9.762 4.018 ( 6.148 2.155 2.735) 7.066 4.114 ( -11.342 5.925 -2.085) 12.965 4.249 ( -0.803 7.474 -3.979) 8.505 5.348 ( -1.058 -1.712 -0.398) 2.052 5.980 ( 1.636 -3.079 0.607) 3.539 8.168 ( 0.889 -1.689 1.208) 2.259 8.831 ( -0.960 -6.956 -0.204) 7.025 9.255 ( 0.033 5.306 -0.046) 5.306 9.698 ( 0.179 -10.616 -0.131) 10.619 10.294 ( 0.839 4.989 -0.238) 5.064 10.630 ( 0.329 -13.671 -0.260) 13.677 10.860 ( -3.007 3.829 -0.288) 4.877 11.599 ( 0.830 12.879 1.420) 12.984 12.362 ( -3.213 -3.845 -0.277) 5.018 12.543 ( 5.938 6.426 -3.615) 9.467 13.500 ( 8.056 -5.515 1.790) 9.926 13.686 ( -8.317 -2.671 -3.591) 9.445 16.764 ( 1.172 20.935 0.915) 20.988 17.343 ( -0.441 9.871 -0.017) 9.880 21.406 ( 1.295 -18.811 -2.083) 18.970 21.783 ( -1.163 -16.544 0.372) 16.589 22.396 ( -0.434 8.603 -1.125) 8.688 23.374 ( 4.472 12.566 -2.317) 13.538 24.236 ( 0.955 6.875 0.142) 6.943 24.407 ( -1.805 8.206 -1.115) 8.476 105.170 ( 0.102 -0.098 0.730) 0.744 105.446 ( 0.996 -1.042 1.849) 2.344 106.213 ( -0.455 -3.260 3.040) 4.480 106.426 ( -1.931 -3.694 2.374) 4.797 ======================= Grid point 388 (182/272) ======================= q-point: (-0.38 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -5.417 4.317 12.800) 14.554 1.988 ( -19.829 9.242 5.068) 22.456 2.467 ( -3.732 8.920 0.463) 9.680 2.814 ( 11.227 14.432 -0.465) 18.290 3.396 ( -5.322 -3.016 -1.144) 6.223 3.465 ( -18.045 0.854 0.702) 18.079 3.850 ( 3.735 13.295 -3.337) 14.207 4.002 ( -0.801 1.614 -1.112) 2.117 4.169 ( -0.261 10.611 -0.271) 10.618 4.391 ( 15.164 0.471 1.790) 15.277 5.380 ( 4.401 -2.068 0.476) 4.886 6.071 ( 6.927 -4.306 0.072) 8.157 8.185 ( 0.647 0.149 0.067) 0.668 8.875 ( 4.943 -7.464 0.728) 8.982 9.267 ( 1.331 4.665 -0.128) 4.853 9.695 ( -0.561 -10.036 -0.295) 10.057 10.221 ( -9.189 3.624 -1.943) 10.067 10.603 ( -0.004 -9.077 0.345) 9.084 10.860 ( 1.698 4.837 1.601) 5.370 11.638 ( 1.044 9.276 0.097) 9.335 12.252 ( -6.001 -2.633 -1.514) 6.726 12.610 ( 2.031 3.375 -3.193) 5.071 13.437 ( -8.935 -3.290 -3.435) 10.122 13.744 ( 9.796 -5.128 2.435) 11.322 16.804 ( 2.795 27.908 -1.059) 28.068 17.363 ( 2.230 6.541 0.469) 6.926 21.402 ( -0.472 -17.958 -2.579) 18.148 21.747 ( -2.779 -17.416 1.000) 17.665 22.355 ( -2.937 9.945 0.004) 10.369 23.269 ( -11.816 13.281 -7.033) 19.117 24.248 ( 0.938 7.449 -0.810) 7.551 24.478 ( 7.245 5.955 1.161) 9.449 105.177 ( 0.224 -0.153 0.468) 0.541 105.462 ( -0.026 -1.437 0.222) 1.454 106.207 ( -1.309 -3.495 2.443) 4.461 106.467 ( 3.938 -4.135 4.319) 7.160 ======================= Grid point 389 (183/272) ======================= q-point: (-0.25 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -16.062 7.293 7.511) 19.173 1.657 ( -9.733 8.263 12.766) 18.055 2.222 ( -19.438 13.198 2.649) 23.644 2.987 ( 6.501 14.626 -1.831) 16.110 3.178 ( -7.659 1.070 -1.989) 7.985 3.363 ( -0.880 -1.564 4.060) 4.439 3.911 ( 4.390 13.210 -5.277) 14.887 4.009 ( 0.836 6.125 0.746) 6.227 4.153 ( -0.031 7.027 0.126) 7.028 4.681 ( 11.095 -2.051 3.345) 11.768 5.531 ( 9.839 -3.480 0.528) 10.449 6.240 ( 9.082 -9.428 -0.475) 13.099 8.218 ( 3.628 5.315 -0.954) 6.506 9.020 ( 8.116 -8.425 1.194) 11.760 9.305 ( 2.145 4.448 -0.418) 4.955 9.652 ( -4.497 -8.686 -0.868) 9.819 9.927 ( -16.032 5.805 -2.567) 17.243 10.627 ( 0.071 -3.959 -0.943) 4.071 10.921 ( 3.059 7.897 1.913) 8.682 11.557 ( -8.689 1.223 -2.031) 9.006 12.174 ( 0.172 -2.444 -0.211) 2.459 12.591 ( -2.393 0.601 -1.662) 2.975 13.274 ( -5.152 -1.286 -1.427) 5.498 13.957 ( 9.506 -9.041 2.280) 13.315 16.857 ( 3.761 29.176 -5.763) 29.977 17.442 ( 5.136 14.324 1.625) 15.303 21.357 ( -2.573 -18.499 -2.186) 18.805 21.675 ( -4.698 -17.392 -0.016) 18.015 22.296 ( -2.870 12.024 1.504) 12.453 22.879 ( -20.459 18.672 -7.627) 28.729 24.275 ( 2.054 4.872 -1.057) 5.391 24.646 ( 7.407 2.723 2.191) 8.191 105.186 ( 0.499 -0.155 0.391) 0.653 105.442 ( -1.812 -1.674 -1.317) 2.797 106.198 ( -0.507 -3.650 1.455) 3.962 106.616 ( 7.489 -6.409 5.172) 11.131 ======================= Grid point 390 (184/272) ======================= q-point: (-0.12 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -14.260 12.201 5.810) 19.646 1.492 ( -16.271 21.187 10.533) 28.715 1.967 ( -5.874 4.446 11.968) 14.054 3.044 ( -2.416 1.485 -3.286) 4.341 3.080 ( 2.075 15.253 -1.924) 15.513 3.393 ( 0.603 -0.335 3.549) 3.615 3.945 ( 0.274 15.603 -3.243) 15.938 4.033 ( 2.046 9.547 0.126) 9.765 4.195 ( 3.712 1.021 0.255) 3.858 4.871 ( 5.860 -3.852 2.973) 7.617 5.757 ( 10.814 -5.187 1.210) 12.054 6.389 ( 4.866 -20.963 -3.008) 21.729 8.363 ( 12.640 15.135 -2.428) 19.868 9.109 ( -11.131 -5.016 0.022) 12.209 9.293 ( 1.014 5.058 -2.663) 5.805 9.499 ( -2.470 4.038 -0.298) 4.743 9.688 ( -6.882 1.480 -0.815) 7.086 10.546 ( -6.536 -7.054 -1.092) 9.678 10.960 ( -0.660 10.092 1.821) 10.276 11.414 ( -1.676 -1.666 -0.798) 2.494 12.221 ( 2.530 -3.302 1.841) 4.549 12.514 ( -3.855 -2.056 -0.762) 4.435 13.211 ( -1.154 -0.800 0.129) 1.410 14.137 ( 6.518 -13.868 1.745) 15.423 16.868 ( 1.205 22.509 -9.931) 24.632 17.580 ( 6.811 31.211 0.620) 31.951 21.283 ( -3.153 -19.937 -0.886) 20.204 21.558 ( -6.124 -14.685 -1.027) 15.944 22.260 ( -2.145 12.524 3.120) 13.084 22.473 ( -13.439 23.499 -2.337) 27.171 24.308 ( 1.454 1.478 -0.887) 2.255 24.779 ( 4.215 0.782 2.132) 4.787 105.204 ( 1.054 -0.129 0.688) 1.265 105.376 ( -3.672 -1.452 -1.576) 4.252 106.200 ( -0.119 -3.819 1.007) 3.951 106.788 ( 6.154 -9.296 2.756) 11.484 ======================= Grid point 391 (185/272) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -4.642 19.549 4.360) 20.560 1.760 ( 0.454 3.296 14.891) 15.258 2.201 ( 0.144 28.714 -2.144) 28.794 3.031 ( -0.622 2.412 -0.599) 2.562 3.421 ( 1.507 4.092 3.003) 5.295 3.533 ( 0.663 20.762 -2.224) 20.891 4.260 ( 2.111 1.757 -1.538) 3.148 4.279 ( -2.246 18.565 -0.450) 18.705 4.367 ( 2.802 16.600 -2.324) 16.995 4.834 ( 0.290 -6.177 1.291) 6.317 5.771 ( 5.820 -13.825 2.397) 15.190 5.877 ( -8.474 -13.612 -1.278) 16.085 8.749 ( -13.832 0.813 1.128) 13.902 8.861 ( 11.639 -4.127 -2.127) 12.531 9.336 ( -0.558 -12.635 0.022) 12.647 9.599 ( 0.898 11.062 0.535) 11.111 9.883 ( 4.163 24.523 -6.117) 25.615 10.230 ( -1.158 -9.216 0.200) 9.291 11.171 ( 1.014 9.324 1.552) 9.507 11.447 ( 0.076 3.570 -0.830) 3.666 12.179 ( 1.719 -4.177 2.891) 5.363 12.339 ( -3.493 -6.324 -1.162) 7.317 13.179 ( -0.115 -1.633 0.299) 1.664 13.942 ( 1.358 -11.765 0.949) 11.881 17.081 ( -2.725 12.095 -10.779) 16.428 18.620 ( 3.393 46.251 -6.248) 46.794 20.894 ( 1.752 -15.335 -1.373) 15.496 21.218 ( -2.478 -9.932 1.324) 10.322 22.472 ( 0.389 7.690 1.001) 7.765 22.840 ( 1.558 23.844 -0.108) 23.895 24.337 ( -1.239 3.144 -0.228) 3.388 24.836 ( -0.162 0.192 1.832) 1.849 105.235 ( 1.687 -0.148 1.259) 2.110 105.267 ( -3.464 -1.012 0.069) 3.610 106.105 ( -0.143 -5.257 0.708) 5.307 106.611 ( -0.673 -13.497 3.379) 13.930 ======================= Grid point 392 (186/272) ======================= q-point: ( 0.12 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 2.756 14.218 7.174) 16.162 1.865 ( 1.637 -0.903 11.179) 11.334 2.317 ( 10.655 29.308 -2.314) 31.270 3.045 ( 2.759 3.957 0.739) 4.880 3.461 ( 1.323 4.322 0.278) 4.528 3.512 ( -1.444 20.759 -1.970) 20.902 4.183 ( -3.552 16.830 -2.296) 17.354 4.264 ( -2.923 4.449 -1.932) 5.663 4.433 ( 4.164 15.264 -1.596) 15.902 4.807 ( -3.659 -6.437 0.987) 7.469 5.665 ( -10.034 -11.976 -0.802) 15.644 5.874 ( 1.835 -11.110 3.458) 11.780 8.441 ( -14.306 4.833 2.094) 15.245 9.001 ( -2.318 -8.753 -0.708) 9.082 9.299 ( 2.729 -11.345 -0.646) 11.687 9.586 ( -2.038 10.638 -0.319) 10.836 9.884 ( 2.430 5.700 -2.668) 6.746 10.501 ( 18.145 5.934 -3.145) 19.348 11.219 ( 3.164 7.140 0.111) 7.810 11.357 ( -5.768 1.195 0.499) 5.912 12.188 ( -1.818 -3.641 -0.265) 4.078 12.372 ( 5.794 -3.404 1.821) 6.963 13.179 ( 0.034 -1.847 0.287) 1.870 13.947 ( -1.152 -10.915 -0.412) 10.983 16.987 ( -1.820 12.553 -4.842) 13.577 18.505 ( -9.972 44.755 -4.961) 46.120 20.922 ( 0.908 -14.758 -1.678) 14.881 21.244 ( 4.477 -14.152 1.141) 14.887 22.496 ( 1.548 7.143 -0.054) 7.309 22.978 ( 11.346 22.961 -1.980) 25.688 24.328 ( 0.135 4.190 1.011) 4.312 24.817 ( -2.397 1.409 1.382) 3.105 105.208 ( -2.432 -0.244 0.606) 2.518 105.282 ( 2.064 -0.375 1.986) 2.889 106.106 ( -0.161 -4.975 0.666) 5.022 106.573 ( -4.521 -12.206 3.100) 13.380 ======================= Grid point 393 (187/272) ======================= q-point: ( 0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 8.313 5.120 8.898) 13.209 1.971 ( 5.574 2.949 5.458) 8.340 2.491 ( 4.690 20.658 2.616) 21.345 3.201 ( 12.504 9.842 0.050) 15.913 3.422 ( -5.293 20.368 -1.389) 21.090 3.495 ( 1.180 2.707 -2.148) 3.652 4.119 ( -1.152 13.636 -3.388) 14.098 4.150 ( -6.495 5.286 -2.048) 8.620 4.499 ( 2.942 15.844 -1.194) 16.159 4.690 ( -8.374 -4.444 0.522) 9.494 5.480 ( -7.275 -6.452 -1.482) 9.836 5.896 ( -1.264 -9.495 3.489) 10.195 8.225 ( -7.986 3.811 2.273) 9.136 8.858 ( -7.907 -9.988 -0.034) 12.739 9.383 ( 2.755 -8.701 -0.796) 9.162 9.533 ( -2.259 6.558 -0.890) 6.993 9.992 ( 8.799 -3.910 -1.163) 9.699 10.654 ( -2.431 7.576 -2.129) 8.236 11.150 ( -6.031 4.374 -0.966) 7.512 11.519 ( 16.988 2.097 1.567) 17.188 12.145 ( -1.055 -4.742 -1.773) 5.171 12.518 ( 6.776 4.109 1.413) 8.050 13.189 ( 0.916 -3.105 0.681) 3.308 13.889 ( -3.986 -8.684 -1.836) 9.730 16.968 ( 1.011 13.409 1.544) 13.536 18.226 ( -13.631 39.498 -5.024) 42.085 20.928 ( 0.765 -17.390 -0.516) 17.414 21.358 ( 5.268 -17.033 -0.622) 17.840 22.524 ( 1.428 5.800 -1.574) 6.177 23.229 ( 13.336 19.164 -1.721) 23.411 24.356 ( 1.842 8.360 1.804) 8.749 24.760 ( -3.522 5.274 0.508) 6.363 105.176 ( -1.155 0.088 0.810) 1.413 105.337 ( 1.954 -0.768 2.498) 3.263 106.108 ( 0.055 -4.722 0.835) 4.795 106.478 ( -5.985 -9.904 2.762) 11.897 ======================= Grid point 394 (188/272) ======================= q-point: ( 0.38 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 2.906 4.213 8.573) 9.985 2.154 ( 7.447 4.347 5.066) 10.001 2.595 ( 6.853 15.061 4.399) 17.122 3.205 ( -12.040 20.937 -0.165) 24.153 3.476 ( 2.377 -1.249 -5.440) 6.067 3.577 ( 15.190 12.205 -0.028) 19.486 3.987 ( -6.672 -2.708 -2.435) 7.601 4.119 ( 1.773 16.694 -1.815) 16.886 4.471 ( -12.941 0.496 -0.049) 12.951 4.538 ( 1.384 17.486 -1.084) 17.574 5.357 ( -3.949 -3.646 -1.694) 5.635 5.882 ( -1.017 -6.634 1.876) 6.969 8.136 ( -2.321 0.661 2.069) 3.178 8.725 ( -4.918 -9.390 -0.124) 10.601 9.398 ( 0.363 -0.187 -1.019) 1.097 9.489 ( -1.963 -2.756 -0.650) 3.445 10.189 ( 9.835 -8.311 -0.333) 12.880 10.512 ( -7.750 2.293 -0.323) 8.089 11.032 ( -5.403 3.225 -0.978) 6.368 11.809 ( 7.357 11.094 1.864) 13.442 12.166 ( 4.640 -9.578 -1.946) 10.819 12.649 ( 5.825 10.435 -0.605) 11.966 13.237 ( 3.426 -6.219 1.673) 7.295 13.769 ( -6.334 -6.307 -2.938) 9.410 17.050 ( 5.079 16.113 6.109) 17.965 17.926 ( -12.112 32.142 -7.116) 35.078 20.953 ( 2.013 -20.097 -1.151) 20.230 21.428 ( 1.767 -17.658 -0.145) 17.746 22.531 ( 0.391 4.229 -2.230) 4.797 23.465 ( 9.568 12.203 0.015) 15.506 24.414 ( 2.656 13.214 1.649) 13.578 24.690 ( -3.036 10.934 -0.751) 11.372 105.167 ( -0.306 0.087 0.750) 0.815 105.385 ( 1.367 -1.250 2.501) 3.112 106.117 ( 0.178 -4.805 1.378) 5.002 106.378 ( -4.822 -7.691 2.161) 9.331 ======================= Grid point 395 (189/272) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -3.946 8.242 9.274) 13.020 2.266 ( 0.742 3.582 4.957) 6.160 2.842 ( 8.391 14.452 3.974) 17.178 2.942 ( -7.202 19.546 -0.222) 20.832 3.430 ( -2.607 -1.361 -5.206) 5.979 3.751 ( -4.249 -0.433 -2.013) 4.722 3.975 ( 7.308 5.179 1.691) 9.115 4.177 ( 2.189 6.304 -3.046) 7.335 4.206 ( -6.468 14.044 0.433) 15.468 4.545 ( -0.160 18.489 -0.927) 18.512 5.301 ( -0.791 -2.832 -0.882) 3.070 5.893 ( 1.876 -5.258 -0.007) 5.583 8.137 ( 1.199 -0.932 1.288) 1.991 8.666 ( -0.688 -8.372 0.034) 8.400 9.401 ( -0.512 8.893 -0.920) 8.955 9.455 ( 0.082 -12.689 -0.283) 12.692 10.336 ( 1.323 -14.569 -0.198) 14.630 10.401 ( -0.441 5.066 0.056) 5.086 10.936 ( -2.735 3.544 0.329) 4.489 11.872 ( 0.266 13.122 0.869) 13.154 12.227 ( -0.271 -8.938 -0.546) 8.959 12.734 ( 2.871 11.155 -2.683) 11.827 13.341 ( 4.640 -9.863 1.445) 10.995 13.623 ( -5.028 -3.186 -2.512) 6.461 17.244 ( 10.184 22.543 8.126) 26.037 17.668 ( -8.677 23.583 -9.160) 26.746 20.988 ( 2.274 -20.720 -2.648) 21.012 21.432 ( -1.496 -17.679 1.114) 17.777 22.520 ( -0.309 3.702 -1.769) 4.114 23.586 ( 1.507 6.852 0.161) 7.017 24.467 ( 1.656 15.664 0.435) 15.757 24.643 ( -0.648 14.867 -1.214) 14.931 105.168 ( 0.046 -0.031 0.575) 0.578 105.417 ( 0.512 -1.767 1.911) 2.653 106.125 ( -0.592 -5.214 2.054) 5.636 106.323 ( -1.270 -6.300 2.014) 6.735 ======================= Grid point 396 (190/272) ======================= q-point: (-0.38 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -6.161 8.326 10.302) 14.608 2.167 ( -13.996 8.392 4.057) 16.816 2.730 ( -3.830 14.080 -0.601) 14.604 3.169 ( 11.557 18.587 1.365) 21.930 3.344 ( -3.198 -1.824 -0.861) 3.781 3.531 ( -14.955 7.023 1.775) 16.617 3.982 ( -0.777 -1.452 -2.754) 3.209 4.163 ( 4.054 15.829 -1.840) 16.443 4.399 ( 11.124 5.951 1.905) 12.758 4.524 ( -0.849 17.388 -1.146) 17.447 5.323 ( 3.362 -3.463 -0.087) 4.827 5.954 ( 3.990 -6.903 -0.893) 8.023 8.194 ( 4.209 0.729 -0.083) 4.273 8.705 ( 4.305 -8.248 0.646) 9.326 9.373 ( -0.901 1.726 -0.196) 1.957 9.484 ( 1.758 -6.262 -0.363) 6.514 10.201 ( -10.450 -7.423 -0.860) 12.847 10.512 ( 7.826 2.160 -0.156) 8.120 10.952 ( 3.169 4.013 2.165) 5.553 11.838 ( -5.891 9.528 0.519) 11.214 12.147 ( -4.947 -7.606 -1.427) 9.185 12.725 ( -2.111 7.435 -3.054) 8.311 13.331 ( -4.561 -7.134 -2.411) 8.804 13.640 ( 5.935 -4.363 1.894) 7.605 17.458 ( -2.448 26.961 -12.574) 29.849 17.572 ( 13.535 20.634 9.364) 26.394 21.007 ( 1.102 -19.297 -3.818) 19.702 21.389 ( -3.214 -17.619 1.857) 18.006 22.503 ( -0.656 4.729 -0.813) 4.843 23.511 ( -8.279 9.155 -2.136) 12.527 24.476 ( -0.603 14.864 -1.409) 14.943 24.659 ( 2.426 11.950 0.367) 12.199 105.174 ( 0.209 -0.106 0.404) 0.467 105.424 ( -0.611 -2.246 0.867) 2.483 106.115 ( -1.193 -5.292 1.902) 5.749 106.353 ( 2.610 -6.861 3.250) 8.028 ======================= Grid point 397 (191/272) ======================= q-point: (-0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -6.277 6.989 8.482) 12.657 1.851 ( -15.820 11.438 6.378) 20.537 2.613 ( -10.160 21.511 -0.878) 23.806 3.192 ( -8.053 3.381 -0.474) 8.746 3.342 ( -2.084 4.523 4.108) 6.456 3.399 ( 6.605 18.412 0.370) 19.564 4.024 ( 5.004 -1.075 -0.423) 5.136 4.239 ( 4.719 16.919 -3.584) 17.926 4.450 ( -3.167 18.261 -0.140) 18.534 4.642 ( 8.449 -0.776 1.630) 8.640 5.435 ( 7.381 -5.753 0.240) 9.361 6.021 ( 2.371 -11.330 -1.230) 11.640 8.323 ( 9.361 4.139 -1.429) 10.335 8.838 ( 7.974 -8.296 0.787) 11.533 9.359 ( -1.685 -5.568 0.254) 5.823 9.508 ( 1.152 1.018 -0.105) 1.541 9.969 ( -10.356 -2.184 -0.487) 10.595 10.653 ( 3.908 6.733 -1.851) 8.002 11.062 ( 5.954 5.617 2.476) 8.552 11.576 ( -17.069 0.097 -1.103) 17.105 12.105 ( 0.784 -4.237 -0.107) 4.311 12.625 ( -5.954 2.980 -2.675) 7.176 13.232 ( -3.313 -2.935 -1.331) 4.622 13.780 ( 5.706 -7.745 2.266) 9.883 17.322 ( -2.498 15.366 -13.771) 20.784 17.985 ( 20.818 36.149 5.237) 42.043 20.982 ( -1.839 -17.138 -3.087) 17.511 21.333 ( -2.764 -16.063 0.602) 16.310 22.485 ( -0.935 6.453 0.208) 6.524 23.250 ( -14.870 16.568 -3.074) 22.474 24.434 ( -2.241 10.911 -2.122) 11.339 24.731 ( 3.495 5.810 1.822) 7.021 105.183 ( 0.523 -0.104 0.388) 0.659 105.399 ( -2.097 -2.396 -0.135) 3.187 106.105 ( -0.625 -5.253 1.339) 5.456 106.451 ( 4.482 -9.366 4.438) 11.291 ======================= Grid point 398 (192/272) ======================= q-point: (-0.12 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -8.275 17.096 2.434) 19.149 1.728 ( -4.718 4.156 14.091) 15.430 2.346 ( -12.752 29.171 0.221) 31.838 3.071 ( -3.117 1.763 -1.301) 3.810 3.372 ( 1.360 3.794 3.965) 5.654 3.502 ( 3.419 19.668 -0.787) 19.979 4.148 ( 6.524 0.901 0.437) 6.601 4.307 ( 3.666 18.171 -4.266) 19.022 4.375 ( -3.752 17.263 0.141) 17.666 4.780 ( 4.231 -4.344 1.646) 6.284 5.607 ( 8.670 -9.375 0.895) 12.800 6.010 ( -3.178 -15.436 -1.492) 15.831 8.560 ( 14.460 3.782 -2.450) 15.146 8.969 ( -0.119 -6.581 0.574) 6.607 9.293 ( -1.090 -9.720 -0.346) 9.787 9.552 ( 2.720 7.685 0.860) 8.197 9.836 ( -1.414 6.652 -1.206) 6.906 10.517 ( -15.947 5.678 -3.826) 17.355 11.155 ( 0.168 8.800 2.348) 9.109 11.384 ( 2.162 -0.742 -0.221) 2.296 12.135 ( 1.325 -5.228 1.808) 5.688 12.471 ( -7.335 -1.620 -2.098) 7.800 13.187 ( -0.999 -1.688 -0.059) 1.962 13.885 ( 3.518 -10.427 1.842) 11.157 17.201 ( -2.226 12.493 -13.683) 18.662 18.411 ( 18.276 43.158 -2.125) 46.917 20.913 ( -2.865 -15.930 -0.984) 16.215 21.280 ( -2.748 -11.889 -0.816) 12.230 22.470 ( -0.704 7.544 0.974) 7.639 22.948 ( -11.618 22.459 -0.582) 25.293 24.377 ( -2.131 5.866 -1.433) 6.403 24.803 ( 2.220 1.651 2.082) 3.463 105.201 ( 1.073 -0.085 0.665) 1.265 105.340 ( -3.357 -1.918 -0.402) 3.887 106.104 ( -0.165 -5.325 0.909) 5.404 106.561 ( 3.349 -12.367 4.160) 13.471 ======================= Grid point 399 (193/272) ======================= q-point: ( 0.00 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -4.147 2.139 6.358) 7.887 1.956 ( -0.460 19.735 4.583) 20.266 2.747 ( -0.312 19.601 -2.933) 19.821 3.089 ( 0.073 4.081 0.401) 4.101 3.572 ( 2.061 13.205 4.192) 14.007 3.930 ( 0.430 15.077 -2.323) 15.261 4.303 ( 3.276 6.115 0.287) 6.943 4.610 ( -2.961 5.354 0.607) 6.148 4.722 ( 2.764 16.810 -3.684) 17.429 4.780 ( -0.852 8.385 0.248) 8.432 5.465 ( 0.847 -13.487 0.376) 13.519 5.696 ( -2.387 -7.532 0.098) 7.902 8.668 ( -4.964 -9.737 -1.088) 10.983 8.723 ( 3.584 -8.426 -0.499) 9.170 9.140 ( -1.675 -4.059 0.354) 4.405 9.784 ( 0.748 8.261 1.237) 8.387 10.099 ( 1.438 -3.655 0.106) 3.929 10.307 ( 0.517 14.289 -1.892) 14.423 11.331 ( 0.076 6.062 1.229) 6.186 11.546 ( -0.554 4.964 -0.294) 5.003 12.117 ( 9.518 -0.977 1.388) 9.669 12.228 ( -8.720 -3.957 -2.640) 9.933 13.138 ( -0.138 -2.403 -0.053) 2.407 13.744 ( 0.936 -8.189 -0.039) 8.242 17.307 ( -2.485 10.714 -9.062) 14.251 19.339 ( 3.957 22.076 -4.118) 22.803 20.648 ( 2.955 -9.095 -2.037) 9.778 21.123 ( -3.562 1.610 0.708) 3.972 22.563 ( 0.353 2.219 -0.803) 2.386 23.281 ( 1.177 19.189 1.084) 19.255 24.459 ( -1.996 8.867 -0.382) 9.097 24.845 ( -0.157 0.904 1.579) 1.826 105.232 ( 1.348 -0.091 1.137) 1.766 105.251 ( -2.459 -0.596 0.417) 2.564 106.000 ( 0.084 -4.987 0.287) 4.996 106.342 ( -0.616 -12.807 3.129) 13.198 ======================= Grid point 400 (194/272) ======================= q-point: ( 0.12 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -1.768 4.503 7.369) 8.815 1.996 ( 2.508 15.185 4.620) 16.069 2.783 ( 2.148 13.742 -0.172) 13.910 3.156 ( 7.734 7.619 -0.839) 10.889 3.635 ( 2.649 14.306 0.928) 14.579 3.893 ( -3.009 14.130 -1.697) 14.546 4.303 ( -2.598 6.619 -3.085) 7.750 4.516 ( -5.859 5.133 0.294) 7.795 4.755 ( -0.064 7.927 -0.607) 7.950 4.781 ( 2.314 16.883 -0.354) 17.045 5.431 ( -3.499 -10.380 -0.254) 10.957 5.686 ( 0.570 -8.248 1.508) 8.404 8.451 ( -10.504 -4.294 0.833) 11.378 8.868 ( 0.481 -5.299 -0.214) 5.325 9.042 ( -2.026 -10.371 0.429) 10.576 9.767 ( -2.197 6.103 0.135) 6.488 9.917 ( -6.533 1.017 -0.523) 6.632 10.704 ( 22.872 9.465 -2.030) 24.836 11.311 ( -1.778 2.617 1.435) 3.474 11.396 ( -11.104 2.517 0.095) 11.386 12.094 ( -2.257 -6.276 -1.959) 6.951 12.393 ( 14.218 6.077 0.234) 15.464 13.130 ( -0.811 -3.088 0.185) 3.198 13.751 ( -0.116 -8.401 -0.770) 8.437 17.235 ( -0.735 12.101 -4.160) 12.817 19.246 ( -9.302 25.392 -5.391) 27.574 20.706 ( 2.130 -7.154 -3.700) 8.331 21.030 ( -4.159 -5.275 3.260) 7.467 22.571 ( 0.841 1.255 -1.140) 1.893 23.388 ( 7.715 16.859 -0.403) 18.545 24.471 ( 2.871 9.920 1.543) 10.441 24.862 ( 1.208 3.280 1.050) 3.650 105.206 ( -1.893 0.027 0.641) 1.998 105.275 ( 1.787 -0.360 1.502) 2.362 106.004 ( 0.146 -4.945 0.157) 4.950 106.322 ( -2.751 -12.177 2.738) 12.780 ======================= Grid point 401 (195/272) ======================= q-point: ( 0.25 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 4.259 3.989 8.641) 10.427 2.120 ( 7.021 11.655 4.206) 14.241 2.785 ( -1.732 8.211 2.880) 8.872 3.364 ( 10.821 4.992 -2.980) 12.284 3.690 ( 2.179 16.426 -0.601) 16.581 3.807 ( -2.703 16.441 -1.340) 16.715 4.148 ( -10.452 0.767 -4.694) 11.484 4.419 ( -2.976 7.383 -0.148) 7.962 4.720 ( -3.349 11.097 1.112) 11.645 4.841 ( 3.157 17.006 -0.175) 17.297 5.352 ( -3.484 -5.907 -1.340) 6.987 5.713 ( 1.064 -8.330 1.548) 8.539 8.274 ( -7.607 -0.162 1.753) 7.808 8.713 ( -9.455 -2.914 0.907) 9.935 9.130 ( 5.088 -13.742 -0.717) 14.672 9.712 ( -3.017 7.956 -1.237) 8.598 9.873 ( 2.266 -5.505 -0.101) 5.954 10.853 ( -9.316 10.183 -0.782) 13.824 11.192 ( -5.921 0.578 -0.121) 5.950 11.501 ( 19.195 -3.969 1.349) 19.647 12.064 ( -0.441 -3.660 -1.646) 4.038 12.667 ( 12.283 9.724 -0.775) 15.685 13.108 ( -1.443 -4.728 0.902) 5.025 13.725 ( -2.041 -7.129 -1.509) 7.567 17.246 ( 2.735 14.045 1.731) 14.413 18.952 ( -15.178 29.678 -7.523) 34.173 20.661 ( -3.695 -8.537 -0.777) 9.335 21.038 ( 2.458 -14.284 0.708) 14.511 22.578 ( 0.442 0.492 -1.697) 1.821 23.533 ( 5.949 10.382 -0.247) 11.968 24.584 ( 6.410 13.794 3.081) 15.520 24.905 ( 2.676 9.133 -0.139) 9.518 105.180 ( -0.983 0.325 0.605) 1.199 105.319 ( 1.572 -0.926 1.911) 2.642 106.008 ( 0.203 -4.995 0.219) 5.004 106.268 ( -3.628 -10.440 2.216) 11.272 ======================= Grid point 402 (196/272) ======================= q-point: ( 0.38 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 6.289 4.342 8.682) 11.566 2.284 ( 4.937 8.385 5.160) 11.014 2.816 ( 5.182 6.651 3.540) 9.144 3.428 ( -4.005 0.635 -2.518) 4.773 3.616 ( -7.666 13.900 -2.645) 16.092 3.884 ( -2.096 5.931 -5.965) 8.669 3.938 ( 5.614 10.316 1.270) 11.813 4.376 ( -1.854 8.439 -1.193) 8.723 4.638 ( -4.877 16.202 1.329) 16.973 4.896 ( 1.911 17.100 0.450) 17.213 5.282 ( -2.349 -3.549 -1.978) 4.693 5.744 ( 1.395 -6.748 0.492) 6.908 8.165 ( -3.851 1.812 1.735) 4.596 8.572 ( -4.590 -4.769 0.569) 6.643 9.190 ( 1.640 -12.220 -0.726) 12.351 9.645 ( -2.360 9.945 -1.838) 10.385 9.970 ( 5.731 -11.458 0.363) 12.816 10.604 ( -11.009 4.742 0.260) 11.989 11.087 ( -4.687 3.096 -0.004) 5.617 11.890 ( 14.039 -8.973 0.747) 16.678 12.058 ( 1.470 4.143 -0.885) 4.485 12.851 ( 5.342 5.662 -1.442) 7.917 13.107 ( 1.801 -3.551 1.381) 4.215 13.652 ( -3.919 -4.690 -1.927) 6.408 17.374 ( 7.673 16.056 6.827) 19.060 18.582 ( -15.512 30.602 -10.530) 35.889 20.605 ( -0.919 -13.911 -0.868) 13.968 21.084 ( 1.177 -16.304 0.482) 16.353 22.571 ( -0.064 0.416 -1.917) 1.963 23.619 ( 2.414 3.267 1.027) 4.190 24.733 ( 5.545 17.332 3.594) 18.549 24.959 ( 2.729 15.196 -1.654) 15.528 105.171 ( -0.344 0.299 0.506) 0.681 105.356 ( 0.929 -1.563 2.022) 2.719 106.014 ( 0.051 -5.270 0.547) 5.299 106.211 ( -2.796 -8.485 1.665) 9.087 ======================= Grid point 403 (197/272) ======================= q-point: (-0.50 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -1.048 7.690 7.798) 11.002 2.365 ( 1.451 5.872 4.648) 7.628 3.017 ( 4.759 2.430 5.087) 7.378 3.251 ( -4.913 9.354 0.553) 10.580 3.427 ( -6.032 0.790 -5.851) 8.440 3.807 ( -0.736 6.082 -2.735) 6.709 4.139 ( 5.479 12.440 -0.667) 13.609 4.303 ( -2.663 9.657 -1.070) 10.074 4.585 ( 0.085 19.377 0.810) 19.394 4.916 ( -0.361 17.310 0.718) 17.328 5.241 ( -0.547 -2.874 -1.580) 3.325 5.777 ( 1.988 -6.025 -0.966) 6.418 8.142 ( 0.810 1.452 1.043) 1.962 8.530 ( 0.205 -4.396 0.260) 4.409 9.203 ( -0.038 -12.152 -0.525) 12.163 9.604 ( -0.724 11.046 -1.382) 11.155 10.052 ( 1.101 -13.488 -0.073) 13.533 10.486 ( 0.047 2.968 0.394) 2.994 11.015 ( -2.050 4.859 0.943) 5.358 11.992 ( 0.487 -10.219 -1.197) 10.301 12.124 ( -0.450 7.498 1.193) 7.606 12.880 ( -0.376 -2.912 -0.374) 2.960 13.185 ( 3.665 -0.007 -0.854) 3.763 13.570 ( -2.286 -1.823 -1.127) 3.133 17.620 ( 11.022 16.176 9.273) 21.660 18.246 ( -9.738 30.396 -12.501) 34.279 20.614 ( 2.556 -15.868 -2.602) 16.282 21.084 ( -1.614 -16.592 1.637) 16.751 22.560 ( 0.180 0.885 -1.748) 1.968 23.649 ( -0.143 -0.021 1.548) 1.554 24.822 ( 1.250 18.364 2.737) 18.609 24.983 ( 0.437 18.044 -2.483) 18.219 105.170 ( -0.020 0.173 0.398) 0.434 105.377 ( 0.042 -2.119 1.790) 2.774 106.013 ( -0.516 -5.552 0.991) 5.663 106.183 ( -0.607 -7.307 1.444) 7.473 ======================= Grid point 404 (198/272) ======================= q-point: (-0.38 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -6.944 8.038 6.621) 12.517 2.345 ( -7.956 9.372 2.582) 12.562 2.894 ( -5.437 1.028 1.332) 5.692 3.318 ( -3.401 0.390 -0.249) 3.432 3.483 ( 14.589 9.789 3.919) 18.001 3.775 ( -2.304 14.403 -0.931) 14.616 4.030 ( -7.435 9.316 -3.497) 12.422 4.388 ( 6.556 8.192 -0.568) 10.507 4.640 ( 4.129 17.077 0.488) 17.576 4.889 ( -2.564 17.047 0.615) 17.250 5.250 ( 2.125 -3.469 -0.879) 4.162 5.807 ( 1.567 -7.307 -2.024) 7.743 8.208 ( 5.177 0.357 0.119) 5.190 8.586 ( 5.328 -2.613 0.072) 5.934 9.184 ( -1.452 -12.323 -0.435) 12.416 9.604 ( 1.216 10.035 -0.321) 10.114 10.000 ( -5.406 -10.854 -0.713) 12.146 10.608 ( 10.872 5.269 0.048) 12.081 11.030 ( 2.621 4.338 2.133) 5.500 11.925 ( -12.935 -8.206 -0.604) 15.330 12.022 ( -2.781 2.066 0.478) 3.497 12.847 ( -3.386 1.529 -0.819) 3.804 13.194 ( -1.195 -3.577 -2.415) 4.479 13.582 ( 3.120 -1.393 0.658) 3.479 17.745 ( -3.909 12.103 -4.385) 13.453 18.232 ( 15.293 32.421 -0.104) 35.847 20.666 ( 3.857 -14.012 -3.862) 15.038 21.048 ( -2.440 -16.001 2.329) 16.353 22.560 ( 0.622 1.558 -1.444) 2.213 23.623 ( -3.370 2.235 1.027) 4.172 24.811 ( -3.161 17.340 0.381) 17.630 24.945 ( -2.740 15.779 -1.560) 16.091 105.173 ( 0.203 0.106 0.333) 0.404 105.376 ( -0.981 -2.429 1.285) 2.918 106.005 ( -0.754 -5.386 1.087) 5.547 106.202 ( 1.436 -7.811 1.995) 8.189 ======================= Grid point 405 (199/272) ======================= q-point: (-0.25 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -6.796 5.472 5.462) 10.293 2.123 ( -11.768 15.055 2.288) 19.245 2.878 ( 0.582 2.801 -0.217) 2.869 3.254 ( -4.735 2.749 1.257) 5.617 3.571 ( -7.472 20.240 4.511) 22.042 3.815 ( 7.193 18.804 -1.530) 20.191 4.000 ( 6.115 -0.004 0.543) 6.139 4.503 ( 5.665 6.511 -2.064) 8.874 4.721 ( 2.901 13.347 0.319) 13.663 4.829 ( -3.122 16.652 0.073) 16.942 5.314 ( 4.223 -5.839 -0.310) 7.213 5.808 ( -0.514 -9.430 -2.272) 9.713 8.340 ( 7.720 -3.094 -0.813) 8.357 8.750 ( 10.503 0.693 -0.392) 10.533 9.130 ( -4.112 -13.238 -0.590) 13.875 9.650 ( 3.130 9.118 0.976) 9.690 9.879 ( -4.472 -5.426 -0.259) 7.037 10.846 ( 8.538 10.817 -0.722) 13.799 11.138 ( 7.294 2.054 1.893) 7.811 11.541 ( -19.938 -3.766 0.083) 20.291 12.007 ( -0.463 -5.514 0.343) 5.544 12.710 ( -9.155 4.938 -2.083) 10.608 13.157 ( -0.963 -4.111 -1.317) 4.423 13.659 ( 3.289 -4.217 0.912) 5.425 17.581 ( -5.410 11.784 -11.287) 17.192 18.668 ( 23.085 28.522 3.295) 36.841 20.695 ( -0.123 -11.212 -2.164) 11.420 21.045 ( 2.212 -11.953 0.188) 12.158 22.565 ( 0.476 2.223 -1.172) 2.558 23.515 ( -7.654 9.392 0.682) 12.136 24.700 ( -6.723 14.814 -2.338) 16.436 24.883 ( -2.688 9.208 0.925) 9.636 105.183 ( 0.550 0.119 0.386) 0.682 105.351 ( -2.046 -2.280 0.742) 3.152 105.998 ( -0.415 -5.120 0.858) 5.208 106.256 ( 2.251 -9.669 2.858) 10.331 ======================= Grid point 406 (200/272) ======================= q-point: (-0.12 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -5.118 2.630 5.506) 7.964 1.971 ( -4.295 19.468 3.376) 20.220 2.837 ( -4.646 13.181 -1.905) 14.105 3.132 ( -4.962 5.645 -0.220) 7.519 3.519 ( -0.491 15.034 6.266) 16.295 3.904 ( 3.495 15.854 -2.944) 16.499 4.178 ( 7.725 4.229 2.805) 9.243 4.595 ( 4.048 4.676 -1.549) 6.376 4.732 ( -1.428 16.473 -1.694) 16.621 4.791 ( -0.417 11.368 0.047) 11.376 5.404 ( 4.266 -9.949 0.189) 10.826 5.761 ( -2.862 -9.736 -1.499) 10.258 8.507 ( 9.323 -8.018 -1.381) 12.374 8.891 ( -3.715 -3.758 -0.988) 5.376 9.071 ( 4.361 -7.639 -0.511) 8.811 9.729 ( 3.336 8.470 1.652) 9.252 9.885 ( 6.401 0.349 0.502) 6.430 10.694 ( -21.285 7.941 -1.805) 22.790 11.295 ( 1.996 4.742 2.069) 5.545 11.410 ( 10.278 3.884 -0.446) 10.997 12.008 ( 0.920 -7.350 1.280) 7.517 12.473 ( -12.168 2.315 -2.682) 12.673 13.141 ( -0.240 -2.793 -0.354) 2.825 13.715 ( 1.876 -6.703 0.542) 6.981 17.427 ( -3.605 10.587 -11.551) 16.078 19.116 ( 18.414 24.216 -0.843) 30.434 20.651 ( -2.297 -10.148 -0.253) 10.408 21.119 ( 3.815 -3.326 -1.746) 5.354 22.565 ( 0.086 2.595 -0.937) 2.760 23.349 ( -7.739 16.770 1.390) 18.521 24.550 ( -5.967 10.999 -2.050) 12.680 24.850 ( -1.307 3.203 1.681) 3.846 105.201 ( 1.051 0.115 0.630) 1.231 105.304 ( -2.749 -1.592 0.467) 3.210 105.998 ( -0.066 -5.021 0.544) 5.051 106.314 ( 1.491 -11.783 3.268) 12.318 ======================= Grid point 407 (201/272) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -2.436 2.711 2.681) 4.524 2.387 ( -0.401 21.674 1.793) 21.751 2.887 ( -0.350 -2.733 1.914) 3.355 3.252 ( 0.966 10.811 -1.244) 10.925 3.935 ( 1.045 17.867 2.379) 18.055 4.085 ( 0.893 5.123 -2.622) 5.824 4.485 ( 4.034 -1.036 2.358) 4.786 4.598 ( -3.947 9.429 -1.495) 10.331 5.029 ( 0.172 13.077 -1.349) 13.147 5.085 ( 0.994 14.951 -1.184) 15.031 5.251 ( 0.737 -7.278 -0.605) 7.340 5.559 ( -2.055 -5.630 0.423) 6.008 8.445 ( 3.947 -11.381 -1.904) 12.196 8.498 ( -4.506 -12.168 -0.688) 12.994 9.176 ( -2.332 5.935 0.680) 6.413 9.933 ( -0.372 6.178 0.724) 6.231 10.075 ( 0.367 0.998 0.347) 1.119 10.461 ( 1.222 2.256 2.244) 3.409 11.393 ( -1.296 -0.122 0.013) 1.302 11.569 ( -0.443 -3.486 1.030) 3.662 12.171 ( 11.372 4.313 -1.344) 12.236 12.225 ( -8.069 5.667 -2.162) 10.094 13.084 ( -0.242 -2.784 -0.292) 2.809 13.600 ( 0.202 -6.425 -0.391) 6.440 17.532 ( -2.029 12.018 -7.474) 14.297 19.496 ( 2.584 -4.084 -0.295) 4.842 20.526 ( 3.210 -3.040 -2.370) 5.016 21.234 ( -1.960 5.736 0.554) 6.087 22.625 ( -0.210 5.861 -1.404) 6.031 23.586 ( 0.478 10.525 2.220) 10.767 24.674 ( -2.344 11.637 -0.583) 11.885 24.884 ( 0.287 3.349 0.848) 3.466 105.231 ( 0.558 -0.013 0.949) 1.101 105.243 ( -1.137 -0.192 0.609) 1.304 105.908 ( 0.181 -4.095 -0.084) 4.100 106.106 ( -0.460 -10.333 1.801) 10.499 ======================= Grid point 408 (202/272) ======================= q-point: ( 0.12 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.877 3.868 3.748) 5.457 2.374 ( -0.965 20.343 2.158) 20.480 2.880 ( -1.402 -1.578 1.808) 2.779 3.332 ( 6.807 9.043 -1.588) 11.429 3.961 ( -0.922 9.247 1.269) 9.379 4.087 ( 2.351 13.334 -3.314) 13.939 4.400 ( -10.837 -5.620 -0.304) 12.212 4.585 ( 1.234 13.041 0.144) 13.100 5.031 ( 0.218 14.413 -0.056) 14.415 5.111 ( 2.192 14.528 -1.236) 14.744 5.263 ( 0.446 -6.142 -1.136) 6.262 5.538 ( -0.179 -6.197 1.386) 6.352 8.309 ( -6.407 -8.217 -0.934) 10.461 8.656 ( 9.842 -13.401 -0.463) 16.634 9.030 ( -11.675 6.092 2.086) 13.332 9.801 ( -8.401 -0.940 0.748) 8.487 10.015 ( -3.420 7.194 -0.088) 7.965 10.789 ( 21.372 -0.749 0.905) 21.405 11.302 ( -6.818 -2.875 0.977) 7.464 11.503 ( -8.881 6.897 0.688) 11.265 11.952 ( -4.368 -6.496 -2.765) 8.302 12.569 ( 17.481 9.304 -1.907) 19.894 13.061 ( -1.815 -3.239 0.160) 3.716 13.608 ( 0.685 -5.963 -0.511) 6.024 17.489 ( 0.975 13.516 -3.467) 13.988 19.477 ( -3.208 -0.827 -2.929) 4.422 20.586 ( 3.689 -4.985 -4.240) 7.513 21.059 ( -14.301 5.210 2.624) 15.445 22.609 ( -0.572 4.275 -0.992) 4.425 23.632 ( 1.850 6.983 1.297) 7.339 24.706 ( 5.319 12.703 1.678) 13.874 24.959 ( 6.354 6.370 0.147) 8.998 105.209 ( -1.410 0.302 0.586) 1.556 105.268 ( 1.360 -0.365 1.090) 1.780 105.911 ( 0.176 -4.177 -0.212) 4.186 106.096 ( -1.413 -9.995 1.662) 10.231 ======================= Grid point 409 (203/272) ======================= q-point: ( 0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 4.529 4.099 5.242) 8.049 2.407 ( 2.657 15.790 3.344) 16.358 2.855 ( -1.273 -0.332 1.118) 1.727 3.451 ( 4.486 4.524 -2.780) 6.951 3.908 ( -3.742 3.942 2.111) 5.830 4.086 ( -11.550 -3.479 -5.668) 13.328 4.205 ( 3.169 19.133 0.223) 19.395 4.595 ( 0.031 12.157 -0.146) 12.158 5.021 ( -1.867 14.849 1.381) 15.029 5.157 ( 2.550 13.846 -0.030) 14.079 5.252 ( -0.485 -3.661 -1.842) 4.127 5.568 ( 2.308 -5.884 0.452) 6.337 8.215 ( -2.680 -4.301 0.249) 5.074 8.747 ( -9.339 3.380 1.881) 10.109 8.868 ( 4.040 -10.127 -0.323) 10.908 9.696 ( -2.202 -6.143 0.996) 6.601 9.938 ( -3.357 8.598 -1.278) 9.318 10.979 ( -13.222 0.316 2.234) 13.413 11.232 ( 1.763 3.740 -1.448) 4.381 11.406 ( 8.336 -2.703 1.388) 8.872 11.965 ( 4.879 -6.644 -2.128) 8.513 12.809 ( 4.038 -0.224 -1.668) 4.375 13.061 ( 4.512 3.703 0.338) 5.846 13.613 ( -0.041 -3.823 -0.661) 3.880 17.541 ( 4.910 15.575 1.361) 16.387 19.338 ( -7.803 8.104 -7.221) 13.368 20.569 ( -5.692 -2.746 -2.922) 6.962 20.814 ( -7.063 -6.521 2.584) 9.954 22.594 ( -0.352 2.441 -0.988) 2.657 23.645 ( -1.223 0.996 1.304) 2.046 24.883 ( 9.434 15.185 3.696) 18.255 25.118 ( 8.787 11.395 -1.061) 14.428 105.189 ( -0.848 0.540 0.413) 1.087 105.300 ( 1.058 -1.024 1.329) 1.984 105.913 ( 0.098 -4.368 -0.206) 4.374 106.071 ( -1.716 -8.838 1.360) 9.105 ======================= Grid point 410 (204/272) ======================= q-point: ( 0.38 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 7.466 2.510 6.512) 10.220 2.472 ( 0.083 9.136 4.507) 10.188 2.888 ( 5.288 1.492 0.076) 5.495 3.450 ( -3.061 2.216 -2.132) 4.338 3.728 ( -16.778 -2.810 -3.432) 17.354 3.886 ( -0.094 2.455 1.098) 2.691 4.347 ( 7.924 21.086 -1.547) 22.579 4.591 ( -0.172 13.157 -0.773) 13.181 4.974 ( -3.198 14.802 2.152) 15.296 5.203 ( 0.843 11.855 1.583) 11.990 5.228 ( -0.103 -0.078 -3.138) 3.140 5.621 ( 2.724 -5.058 -0.673) 5.784 8.191 ( -0.390 0.760 0.767) 1.148 8.561 ( -7.224 3.466 1.573) 8.165 8.954 ( 2.812 -10.988 -0.989) 11.385 9.711 ( 2.491 -9.533 0.844) 9.890 9.884 ( -1.048 8.958 -1.489) 9.141 10.666 ( -13.954 1.093 0.961) 14.030 11.189 ( -2.885 7.326 0.489) 7.888 11.655 ( 8.901 -11.990 0.223) 14.935 12.109 ( 9.884 -1.402 -1.090) 10.042 12.735 ( -7.685 -12.260 0.322) 14.473 13.224 ( 8.663 10.401 -1.202) 13.590 13.593 ( -1.647 -1.170 -0.594) 2.106 17.705 ( 9.036 16.934 5.658) 20.010 19.083 ( -11.821 17.583 -11.222) 23.976 20.403 ( -6.116 -6.145 -0.485) 8.683 20.779 ( -0.306 -13.700 0.844) 13.730 22.584 ( -0.083 1.732 -1.101) 2.054 23.616 ( -1.888 -3.098 1.824) 4.061 25.079 ( 6.592 16.527 4.738) 18.413 25.273 ( 6.657 15.153 -2.364) 16.719 105.179 ( -0.395 0.510 0.292) 0.708 105.323 ( 0.457 -1.707 1.450) 2.286 105.912 ( -0.090 -4.614 -0.035) 4.615 106.047 ( -1.162 -7.507 1.007) 7.662 ======================= Grid point 411 (205/272) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 2.153 2.883 5.558) 6.620 2.473 ( -0.169 3.540 3.971) 5.322 3.004 ( -0.584 -1.273 0.768) 1.597 3.344 ( -1.743 1.965 0.873) 2.768 3.463 ( -5.520 2.699 -2.912) 6.799 3.916 ( 2.222 3.185 -0.254) 3.892 4.455 ( 2.252 17.341 -2.469) 17.660 4.581 ( -0.021 16.682 -0.592) 16.693 4.939 ( -0.811 14.719 2.239) 14.911 5.181 ( -1.816 1.268 0.001) 2.215 5.238 ( 0.707 10.606 -0.806) 10.661 5.664 ( 1.958 -4.764 -1.773) 5.447 8.195 ( 0.247 3.665 0.638) 3.729 8.502 ( 1.119 1.592 0.533) 2.018 8.973 ( -0.190 -10.469 -0.731) 10.496 9.761 ( 1.040 -8.618 -0.009) 8.681 9.869 ( -0.123 8.254 -1.137) 8.333 10.516 ( 0.336 0.184 0.516) 0.643 11.147 ( -1.462 8.231 1.291) 8.458 11.746 ( 1.159 -12.563 -0.705) 12.636 12.238 ( -2.273 2.263 0.428) 3.236 12.617 ( -0.211 -18.206 1.014) 18.236 13.331 ( 1.571 9.629 -2.239) 10.010 13.559 ( -0.510 0.846 -0.069) 0.990 17.937 ( 8.548 15.638 6.506) 18.972 18.796 ( -7.675 22.631 -11.437) 26.493 20.358 ( 2.153 -9.479 -1.810) 9.888 20.768 ( -1.508 -14.562 1.755) 14.745 22.581 ( 0.571 1.840 -1.269) 2.307 23.601 ( -0.539 -4.484 2.097) 4.979 25.179 ( 0.534 16.679 4.332) 17.240 25.338 ( 0.775 16.382 -3.112) 16.694 105.175 ( -0.085 0.399 0.247) 0.477 105.333 ( -0.254 -2.189 1.441) 2.633 105.909 ( -0.280 -4.673 0.214) 4.686 106.039 ( -0.159 -6.826 0.791) 6.874 ======================= Grid point 412 (206/272) ======================= q-point: (-0.38 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -6.983 3.756 2.422) 8.291 2.524 ( 0.333 6.378 2.810) 6.978 2.833 ( -8.753 -3.720 1.891) 9.697 3.364 ( -1.770 4.263 0.711) 4.671 3.566 ( 13.894 0.285 2.996) 14.216 3.969 ( 3.785 4.536 -2.101) 6.270 4.376 ( -7.248 21.040 -2.650) 22.411 4.608 ( 2.460 13.903 -1.057) 14.158 4.969 ( 1.997 13.821 2.017) 14.109 5.147 ( -2.194 3.145 2.062) 4.354 5.238 ( 0.352 8.088 -1.929) 8.322 5.677 ( 0.473 -5.148 -2.821) 5.890 8.209 ( 1.053 0.235 0.008) 1.079 8.609 ( 9.008 4.365 -0.175) 10.012 8.944 ( -2.281 -11.199 -0.546) 11.442 9.744 ( -1.589 -6.529 -0.692) 6.755 9.861 ( 0.008 7.390 -0.396) 7.401 10.687 ( 14.996 2.397 0.033) 15.187 11.148 ( 0.575 7.477 1.849) 7.723 11.696 ( -6.961 -11.964 -1.227) 13.896 12.037 ( -12.714 -2.883 1.876) 13.171 12.719 ( 5.793 -11.600 0.771) 12.989 13.257 ( -6.338 7.296 -2.386) 9.955 13.580 ( 1.744 1.089 -0.128) 2.060 17.999 ( -4.328 13.119 -3.586) 14.272 18.780 ( 10.481 21.172 -1.527) 23.673 20.446 ( 6.540 -8.034 -2.629) 10.688 20.753 ( 0.024 -13.043 2.164) 13.222 22.593 ( 1.253 2.357 -1.542) 3.083 23.613 ( 0.338 -2.983 2.151) 3.693 25.148 ( -5.367 15.676 2.782) 16.801 25.265 ( -5.948 15.221 -3.091) 16.632 105.178 ( 0.199 0.340 0.284) 0.486 105.328 ( -0.964 -2.282 1.306) 2.800 105.905 ( -0.251 -4.466 0.348) 4.487 106.049 ( 0.643 -7.206 0.917) 7.293 ======================= Grid point 413 (207/272) ======================= q-point: (-0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -7.745 2.882 1.124) 8.340 2.444 ( -6.052 16.536 0.924) 17.633 2.809 ( 2.084 -7.733 3.580) 8.772 3.339 ( -1.799 6.088 1.792) 6.597 3.839 ( 8.550 0.963 3.812) 9.411 4.058 ( 5.930 6.094 -3.922) 9.364 4.211 ( -4.831 21.319 -0.138) 21.860 4.648 ( 1.972 10.515 -1.698) 10.832 5.018 ( 1.629 12.856 0.912) 12.991 5.109 ( -2.739 7.789 2.807) 8.721 5.241 ( 0.982 2.296 -2.211) 3.335 5.653 ( -1.126 -5.609 -3.074) 6.495 8.242 ( 2.562 -5.103 -0.734) 5.757 8.827 ( 6.200 0.374 -1.466) 6.382 8.879 ( 1.586 -5.941 -0.350) 6.159 9.730 ( 1.332 -4.814 -0.495) 5.020 9.882 ( 2.229 9.307 1.063) 9.629 11.030 ( 11.607 5.324 -0.026) 12.770 11.163 ( 0.850 1.009 0.975) 1.641 11.451 ( -10.385 -2.981 0.355) 10.810 11.874 ( -4.588 -7.780 1.017) 9.089 12.764 ( -3.521 -1.799 0.161) 3.957 13.114 ( -4.553 1.724 -1.783) 5.185 13.604 ( 0.542 -1.545 -0.318) 1.669 17.823 ( -7.050 12.553 -9.557) 17.281 19.078 ( 15.389 11.847 2.802) 19.622 20.515 ( 0.102 -7.088 0.116) 7.090 20.869 ( 11.417 -5.632 -0.552) 12.743 22.612 ( 1.410 3.346 -1.840) 4.070 23.625 ( -0.807 1.613 2.430) 3.026 25.000 ( -9.498 14.193 -0.695) 17.092 25.094 ( -8.714 11.295 -0.655) 14.281 105.187 ( 0.562 0.338 0.404) 0.770 105.309 ( -1.605 -1.896 1.084) 2.710 105.903 ( -0.062 -4.231 0.298) 4.241 106.072 ( 0.914 -8.362 1.314) 8.514 ======================= Grid point 414 (208/272) ======================= q-point: (-0.12 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -5.631 2.351 1.678) 6.328 2.379 ( -0.827 20.407 1.272) 20.464 2.867 ( 1.250 -5.689 2.877) 6.497 3.292 ( -3.149 8.999 -0.108) 9.535 3.921 ( -0.711 15.548 3.425) 15.937 4.070 ( 1.445 8.227 -3.818) 9.184 4.323 ( 9.304 4.174 2.540) 10.508 4.656 ( -0.580 8.036 -1.622) 8.219 5.036 ( 0.080 12.033 -0.816) 12.061 5.081 ( -0.703 12.487 0.956) 12.543 5.246 ( 0.377 -3.583 -1.117) 3.772 5.606 ( -1.981 -5.591 -1.768) 6.189 8.316 ( 5.487 -9.451 -1.080) 10.981 8.692 ( -9.204 -12.683 -1.874) 15.782 9.100 ( 9.550 6.753 -0.661) 11.715 9.817 ( 7.472 0.065 -0.016) 7.472 9.965 ( 4.864 8.033 2.052) 9.613 10.761 ( -22.535 -1.004 1.644) 22.617 11.338 ( 5.644 -0.461 0.303) 5.671 11.522 ( 8.768 5.167 -0.099) 10.178 11.865 ( 6.776 -5.130 0.071) 8.499 12.559 ( -14.765 5.276 -1.273) 15.731 13.080 ( 0.469 -2.911 -0.629) 3.015 13.603 ( -0.187 -4.652 -0.368) 4.671 17.648 ( -4.666 11.779 -9.752) 15.988 19.362 ( 10.362 1.288 1.435) 10.540 20.501 ( -0.288 -4.579 0.124) 4.590 21.124 ( 11.501 1.767 -0.944) 11.674 22.626 ( 0.959 4.964 -1.878) 5.393 23.602 ( -2.557 7.854 2.768) 8.711 24.795 ( -8.382 12.562 -2.243) 15.267 24.940 ( -5.979 5.851 1.117) 8.440 105.206 ( 0.970 0.292 0.610) 1.183 105.277 ( -1.968 -1.126 0.859) 2.425 105.905 ( 0.109 -4.108 0.118) 4.111 106.096 ( 0.505 -9.653 1.683) 9.812 ======================= Grid point 415 (209/272) ======================= q-point: ( 0.00 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.435 6.570 0.684) 6.620 2.730 ( 0.328 -6.064 4.292) 7.436 2.834 ( 0.953 16.750 -0.117) 16.777 3.473 ( 0.485 10.802 -0.498) 10.825 4.018 ( -0.099 -2.220 1.790) 2.854 4.242 ( 1.212 -7.632 -2.741) 8.199 4.485 ( -0.280 15.442 -0.762) 15.463 4.865 ( -0.875 11.912 -0.900) 11.978 5.139 ( 1.974 -1.524 -0.441) 2.532 5.217 ( 1.927 2.420 -1.310) 3.359 5.349 ( -1.231 10.413 0.342) 10.491 5.501 ( -2.631 0.779 -0.207) 2.752 8.235 ( 5.632 -8.843 -1.178) 10.550 8.278 ( -6.048 -9.324 -1.621) 11.231 9.339 ( -2.399 9.751 0.622) 10.061 10.011 ( -1.557 0.940 0.093) 1.821 10.128 ( 0.102 4.040 1.022) 4.168 10.451 ( 1.389 -2.143 4.008) 4.752 11.344 ( -3.475 -3.891 -0.985) 5.309 11.447 ( 3.242 -7.254 -0.357) 7.954 12.264 ( -1.305 5.554 -1.268) 5.844 12.400 ( 4.058 8.625 -1.207) 9.608 13.040 ( -0.261 -1.070 -0.276) 1.135 13.474 ( -0.250 -6.305 -0.376) 6.321 17.806 ( -1.445 15.304 -5.924) 16.474 19.283 ( 1.543 -15.112 0.325) 15.194 20.523 ( 2.223 2.720 -2.193) 4.142 21.241 ( -0.392 -5.388 0.465) 5.422 22.834 ( -0.415 14.087 -0.082) 14.094 23.694 ( -0.371 0.374 2.907) 2.954 24.899 ( -2.293 10.111 -0.325) 10.372 24.980 ( 1.012 5.764 0.048) 5.852 105.231 ( 0.049 0.050 0.783) 0.786 105.241 ( -0.274 -0.078 0.694) 0.750 105.837 ( 0.199 -2.955 -0.327) 2.979 105.930 ( -0.262 -7.025 0.592) 7.054 ======================= Grid point 416 (210/272) ======================= q-point: ( 0.12 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 2.328 7.679 0.570) 8.045 2.727 ( -3.009 1.452 3.363) 4.740 2.832 ( 0.230 10.164 -1.197) 10.237 3.513 ( 3.177 8.863 -0.646) 9.438 3.993 ( -3.010 -1.363 1.992) 3.859 4.164 ( -7.758 -11.202 -2.555) 13.864 4.511 ( 3.791 18.359 -1.368) 18.796 4.850 ( -0.467 11.256 -0.329) 11.270 5.177 ( 1.683 -2.281 -1.295) 3.116 5.250 ( 1.828 5.256 -0.843) 5.628 5.355 ( 1.596 9.470 -0.306) 9.608 5.462 ( -1.069 0.114 1.903) 2.186 8.163 ( -2.812 -5.673 -1.491) 6.504 8.403 ( 9.480 -11.153 -0.251) 14.639 9.195 ( -11.709 9.535 2.285) 15.272 9.771 ( -13.161 -2.008 1.280) 13.374 10.161 ( -1.061 7.021 0.347) 7.109 10.714 ( 16.231 -5.803 2.362) 17.398 11.239 ( -5.244 -2.653 0.071) 5.877 11.541 ( 4.397 -4.895 -0.965) 6.650 11.937 ( -15.857 6.590 -1.694) 17.255 12.678 ( 9.337 -0.349 -2.006) 9.556 13.047 ( 3.532 3.213 -0.112) 4.776 13.503 ( 2.836 -4.628 -0.193) 5.432 17.793 ( 2.646 16.758 -2.905) 17.213 19.313 ( 1.642 -13.570 -1.618) 13.765 20.531 ( 0.054 0.067 -3.169) 3.171 21.093 ( -13.746 -3.246 0.968) 14.157 22.783 ( -3.767 12.612 0.015) 13.162 23.674 ( -3.329 -2.281 2.442) 4.717 24.957 ( 7.464 11.560 1.486) 13.840 25.103 ( 10.060 7.228 -0.471) 12.397 105.217 ( -0.996 0.439 0.503) 1.200 105.259 ( 0.844 -0.461 0.789) 1.244 105.838 ( 0.095 -3.043 -0.418) 3.074 105.926 ( -0.486 -6.801 0.632) 6.848 ======================= Grid point 417 (211/272) ======================= q-point: ( 0.25 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 3.924 6.579 0.877) 7.710 2.662 ( -4.570 2.418 2.617) 5.795 2.857 ( 3.350 7.372 -1.780) 8.291 3.558 ( 1.015 6.027 -1.374) 6.264 3.923 ( -13.642 -10.032 -1.900) 17.040 3.938 ( -3.184 -0.267 2.594) 4.115 4.616 ( 6.788 18.880 -1.704) 20.135 4.840 ( -0.136 10.747 -0.251) 10.751 5.173 ( -1.567 -1.105 -0.107) 1.920 5.281 ( 1.281 6.346 -0.599) 6.501 5.392 ( 1.828 9.293 0.259) 9.475 5.491 ( 2.775 -0.815 0.845) 3.013 8.148 ( 1.780 -1.701 -0.365) 2.489 8.594 ( 8.616 -10.966 -0.537) 13.956 8.939 ( -13.451 8.969 2.590) 16.373 9.569 ( -7.248 -6.258 1.551) 9.700 10.116 ( -2.339 8.975 -0.529) 9.290 10.890 ( -6.391 -7.714 3.680) 10.673 11.228 ( 8.401 -2.013 -2.003) 8.868 11.512 ( -6.541 9.222 0.482) 11.317 11.807 ( 5.148 -7.406 -2.310) 9.311 12.670 ( -6.640 -10.576 -0.731) 12.509 13.223 ( 11.327 9.170 -1.066) 14.612 13.563 ( 2.669 -1.491 -0.082) 3.059 17.882 ( 6.698 18.300 0.652) 19.498 19.322 ( 0.647 -8.027 -4.908) 9.431 20.492 ( -2.705 -3.508 -3.017) 5.359 20.759 ( -17.315 -1.833 1.551) 17.480 22.710 ( -2.948 9.186 -0.258) 9.651 23.593 ( -5.357 -5.628 2.219) 8.080 25.172 ( 10.924 12.979 3.211) 17.266 25.335 ( 12.117 9.462 -1.199) 15.420 105.202 ( -0.725 0.674 0.269) 1.026 105.278 ( 0.503 -1.111 0.837) 1.479 105.836 ( -0.027 -3.155 -0.412) 3.182 105.919 ( -0.451 -6.154 0.538) 6.194 ======================= Grid point 418 (212/272) ======================= q-point: ( 0.38 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 5.570 2.935 2.317) 6.709 2.567 ( -5.746 -1.703 0.745) 6.039 2.954 ( 6.724 7.094 -1.277) 9.858 3.517 ( -6.040 3.576 -0.293) 7.025 3.641 ( -9.992 -4.047 -2.328) 11.029 3.911 ( -1.015 -0.427 3.169) 3.355 4.735 ( 4.980 16.827 -1.911) 17.653 4.855 ( 2.151 11.913 -0.278) 12.108 5.133 ( -2.236 0.935 1.052) 2.642 5.278 ( -1.271 5.704 -1.136) 5.954 5.431 ( 1.561 9.075 0.911) 9.253 5.558 ( 3.192 -0.582 -0.291) 3.257 8.217 ( 4.381 2.305 0.236) 4.956 8.659 ( -5.841 2.198 1.141) 6.344 8.775 ( 0.471 -3.417 -0.219) 3.457 9.498 ( -0.871 -10.675 1.468) 10.810 10.090 ( 0.565 10.435 -0.822) 10.482 10.655 ( -13.173 -1.931 1.478) 13.396 11.366 ( 0.498 7.320 -0.645) 7.365 11.454 ( 3.084 -4.801 0.811) 5.764 11.985 ( 11.765 -10.271 -1.339) 15.675 12.474 ( -11.911 -12.878 0.225) 17.543 13.420 ( 8.070 8.415 -1.509) 11.757 13.597 ( 0.505 1.238 0.083) 1.340 18.063 ( 9.356 18.609 3.734) 21.161 19.264 ( -3.143 0.652 -8.773) 9.341 20.335 ( -9.922 -1.596 -1.023) 10.102 20.547 ( -4.099 -8.916 1.025) 9.867 22.666 ( -1.232 6.689 -0.470) 6.817 23.506 ( -3.864 -7.561 2.176) 8.766 25.385 ( 7.096 13.446 4.180) 15.768 25.541 ( 8.163 10.922 -1.985) 13.779 105.191 ( -0.432 0.690 0.141) 0.826 105.288 ( 0.048 -1.702 0.890) 1.922 105.833 ( -0.085 -3.177 -0.317) 3.194 105.915 ( -0.207 -5.532 0.363) 5.548 ======================= Grid point 419 (213/272) ======================= q-point: (-0.50 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 3.382 -0.435 2.894) 4.472 2.456 ( -3.955 -5.273 -0.186) 6.594 3.045 ( -1.102 5.595 -0.653) 5.740 3.366 ( -1.660 0.288 0.826) 1.877 3.542 ( -1.951 5.154 -0.017) 5.511 3.930 ( 1.539 -1.446 1.626) 2.665 4.784 ( 1.588 14.361 -2.725) 14.703 4.908 ( 1.891 14.319 -0.821) 14.466 5.109 ( -0.751 2.066 2.105) 3.043 5.225 ( -2.806 4.577 -0.815) 5.430 5.457 ( 0.425 9.353 0.749) 9.393 5.608 ( 2.014 -0.216 -1.188) 2.349 8.282 ( 0.289 4.821 0.245) 4.836 8.582 ( 1.309 5.502 0.628) 5.691 8.790 ( -0.424 -7.052 -0.601) 7.090 9.516 ( 1.164 -12.687 0.614) 12.755 10.112 ( 0.481 12.459 -1.087) 12.516 10.507 ( 1.035 -0.763 0.338) 1.329 11.338 ( -1.774 10.238 1.307) 10.473 11.517 ( 1.419 -9.290 -0.657) 9.420 12.199 ( -14.255 -9.691 0.981) 17.265 12.233 ( 11.383 -15.143 0.001) 18.944 13.505 ( 0.007 7.245 -1.803) 7.466 13.598 ( 0.614 2.743 0.251) 2.822 18.260 ( 6.217 16.492 3.695) 18.008 19.116 ( -4.721 8.470 -9.151) 13.333 20.227 ( 0.858 -3.723 -0.817) 3.907 20.507 ( -1.213 -11.056 1.538) 11.228 22.655 ( 0.511 5.797 -0.704) 5.862 23.473 ( -0.473 -8.155 2.133) 8.443 25.483 ( 0.104 13.231 4.107) 13.854 25.621 ( 0.528 11.290 -2.511) 11.578 105.186 ( -0.144 0.620 0.150) 0.654 105.290 ( -0.355 -2.033 0.973) 2.281 105.830 ( -0.047 -3.084 -0.207) 3.091 105.915 ( 0.058 -5.302 0.214) 5.307 ======================= Grid point 420 (214/272) ======================= q-point: (-0.38 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -5.950 -0.029 -0.710) 5.992 2.475 ( 4.240 -9.304 3.652) 10.857 2.910 ( -8.212 9.967 0.512) 12.925 3.469 ( 3.911 4.165 1.432) 5.890 3.559 ( 6.502 0.889 1.638) 6.764 3.987 ( 3.617 -1.910 -0.290) 4.101 4.769 ( -2.110 16.746 -3.421) 17.221 4.901 ( -0.823 13.727 -1.932) 13.886 5.113 ( -0.367 0.376 1.867) 1.939 5.189 ( -0.812 4.083 1.750) 4.516 5.456 ( -0.696 10.150 0.006) 10.174 5.623 ( 0.404 0.148 -2.405) 2.443 8.235 ( -3.477 2.512 -0.473) 4.316 8.702 ( 3.957 -2.476 -0.915) 4.757 8.771 ( 3.722 0.911 0.448) 3.858 9.540 ( 1.564 -10.870 -0.233) 10.984 10.090 ( -0.723 12.181 -0.762) 12.226 10.708 ( 16.176 -0.318 -0.626) 16.191 11.303 ( -3.510 5.384 1.488) 6.597 11.501 ( -1.946 -4.311 -0.801) 4.797 11.901 ( -14.001 -9.848 2.006) 17.235 12.461 ( 9.893 -13.312 0.666) 16.599 13.412 ( -7.255 7.401 -1.193) 10.432 13.613 ( -0.066 1.777 -0.517) 1.852 18.276 ( -4.971 14.432 -3.324) 15.622 19.065 ( 3.386 6.919 -2.349) 8.053 20.328 ( 6.977 -4.006 -0.657) 8.072 20.534 ( 5.039 -8.439 1.441) 9.934 22.678 ( 2.131 6.400 -1.014) 6.821 23.508 ( 2.575 -7.335 2.220) 8.084 25.432 ( -6.916 12.283 3.280) 14.473 25.533 ( -7.455 10.887 -2.744) 13.477 105.187 ( 0.169 0.559 0.272) 0.644 105.285 ( -0.683 -1.981 1.053) 2.345 105.829 ( 0.052 -2.979 -0.135) 2.982 105.919 ( 0.219 -5.525 0.174) 5.533 ======================= Grid point 421 (215/272) ======================= q-point: (-0.25 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -6.436 1.624 -1.015) 6.715 2.595 ( 4.159 -11.410 5.300) 13.251 2.790 ( -3.238 16.134 0.642) 16.468 3.495 ( -0.114 8.970 1.460) 9.089 3.781 ( 10.681 -5.285 2.633) 12.205 4.071 ( 5.208 -3.050 -1.986) 6.354 4.655 ( -6.256 20.127 -3.267) 21.329 4.891 ( 0.768 11.616 -2.278) 11.862 5.116 ( -0.313 -1.153 1.588) 1.987 5.187 ( -0.838 3.477 2.705) 4.484 5.433 ( -1.356 10.663 -0.783) 10.777 5.601 ( -0.952 0.620 -3.151) 3.349 8.170 ( -1.983 -1.633 -1.104) 2.796 8.618 ( -6.825 -10.999 -1.431) 13.023 9.013 ( 14.265 8.677 -0.310) 16.700 9.611 ( 6.214 -6.245 -0.192) 8.812 10.096 ( 1.243 11.101 0.507) 11.182 11.000 ( 1.649 -7.548 -0.173) 7.728 11.165 ( -2.612 -0.062 0.135) 2.616 11.516 ( 4.574 7.262 0.300) 8.587 11.708 ( -4.429 -6.933 1.291) 8.327 12.627 ( 5.366 -10.404 0.886) 11.739 13.223 ( -9.975 7.428 -1.002) 12.477 13.582 ( -2.521 -0.968 -0.774) 2.809 18.095 ( -7.956 14.465 -7.711) 18.221 19.162 ( 4.713 -2.767 1.249) 5.606 20.415 ( 2.484 -2.376 0.795) 3.528 20.782 ( 16.698 -4.214 0.008) 17.222 22.729 ( 3.423 8.527 -1.154) 9.261 23.588 ( 3.577 -4.961 2.639) 6.661 25.255 ( -11.229 10.886 1.336) 15.696 25.313 ( -11.961 9.731 -1.828) 15.527 105.196 ( 0.515 0.502 0.448) 0.847 105.274 ( -0.976 -1.537 1.057) 2.105 105.830 ( 0.165 -2.927 -0.128) 2.935 105.925 ( 0.221 -6.079 0.265) 6.089 ======================= Grid point 422 (216/272) ======================= q-point: (-0.12 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -3.846 4.157 0.152) 5.666 2.683 ( 1.640 -10.315 5.270) 11.699 2.790 ( 2.273 18.647 0.393) 18.789 3.488 ( -1.068 10.235 0.295) 10.295 3.961 ( 4.987 -3.800 2.655) 6.809 4.175 ( 5.902 -6.317 -2.671) 9.048 4.529 ( -3.800 19.052 -2.019) 19.532 4.888 ( -0.244 11.620 -1.797) 11.761 5.117 ( -0.028 -1.369 1.097) 1.754 5.192 ( 0.542 2.277 0.859) 2.494 5.391 ( -2.260 10.534 -0.629) 10.792 5.556 ( -1.880 0.959 -2.416) 3.208 8.159 ( 1.799 -5.705 -1.107) 6.084 8.447 ( -8.416 -11.121 -2.107) 14.105 9.268 ( 9.361 9.331 -0.680) 13.235 9.798 ( 12.143 -1.661 0.117) 12.256 10.136 ( 1.633 8.388 1.586) 8.691 10.690 ( -20.158 -5.322 3.099) 21.078 11.296 ( 6.380 -2.923 -1.478) 7.171 11.502 ( -5.200 -6.542 0.077) 8.357 11.903 ( 19.874 8.325 -0.503) 21.553 12.624 ( -7.895 -0.465 0.192) 7.911 13.061 ( -3.617 2.147 -0.640) 4.254 13.516 ( -3.075 -4.267 -0.681) 5.303 17.913 ( -5.272 14.609 -7.788) 17.374 19.241 ( 2.431 -11.492 1.253) 11.813 20.473 ( 3.095 1.697 -0.406) 3.553 21.104 ( 12.859 -4.681 0.163) 13.685 22.798 ( 3.495 11.847 -0.766) 12.376 23.664 ( 1.882 -1.427 3.093) 3.892 25.030 ( -9.401 10.145 -1.597) 13.923 25.077 ( -9.746 7.215 0.678) 12.144 105.213 ( 0.807 0.368 0.621) 1.083 105.258 ( -1.166 -0.823 0.941) 1.710 105.834 ( 0.228 -2.922 -0.203) 2.938 105.930 ( 0.039 -6.701 0.439) 6.715 ======================= Grid point 423 (217/272) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 1.366 10.860 1.176) 11.008 2.498 ( 1.863 -13.443 3.868) 14.112 3.227 ( 0.986 19.242 -0.530) 19.275 3.677 ( -0.422 8.925 -0.091) 8.935 3.917 ( 1.880 -9.723 2.081) 10.120 4.014 ( -1.779 -9.731 -1.972) 10.087 4.815 ( 0.330 14.331 -3.233) 14.695 5.041 ( -1.024 5.299 -1.261) 5.542 5.127 ( 1.527 0.160 -0.732) 1.701 5.187 ( 1.750 -3.957 -0.386) 4.344 5.510 ( -1.670 5.513 0.721) 5.805 5.556 ( -2.114 2.768 -0.708) 3.554 8.102 ( 3.172 -4.201 -0.882) 5.337 8.129 ( -3.643 -5.305 -1.639) 6.641 9.555 ( -2.300 11.348 0.512) 11.590 9.956 ( -2.009 -6.253 0.118) 6.568 10.225 ( -0.252 5.201 1.919) 5.550 10.399 ( 1.079 -2.943 3.831) 4.950 11.270 ( -2.643 -2.786 -1.399) 4.087 11.315 ( 3.114 -5.211 -1.596) 6.277 12.382 ( -0.217 5.730 -0.993) 5.820 12.510 ( 2.741 1.695 -0.958) 3.362 13.068 ( -0.046 4.182 -0.024) 4.182 13.339 ( -0.312 -7.088 -0.182) 7.097 18.147 ( -0.699 18.385 -4.209) 18.874 18.932 ( 0.878 -19.039 -0.725) 19.073 20.631 ( 1.227 7.769 -1.741) 8.056 21.059 ( 0.120 -11.332 -0.331) 11.337 23.141 ( -0.434 15.232 1.599) 15.321 23.620 ( -0.754 -7.224 2.934) 7.834 25.063 ( -1.518 5.872 0.099) 6.066 25.089 ( 0.963 4.251 -0.264) 4.367 105.233 ( -0.021 0.106 0.686) 0.694 105.239 ( -0.013 -0.138 0.690) 0.704 105.791 ( 0.164 -1.454 -0.445) 1.529 105.824 ( -0.073 -3.585 -0.133) 3.588 ======================= Grid point 424 (218/272) ======================= q-point: ( 0.12 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 2.498 11.534 -0.636) 11.818 2.539 ( 0.515 -12.533 1.149) 12.596 3.195 ( -3.043 18.620 -1.127) 18.901 3.680 ( 0.283 6.901 0.382) 6.917 3.894 ( -6.079 -13.236 -0.534) 14.575 3.946 ( -2.642 -4.268 0.967) 5.112 4.849 ( 4.342 14.318 -2.702) 15.204 5.020 ( -0.634 5.705 -0.551) 5.766 5.148 ( 0.748 -1.019 -0.947) 1.580 5.237 ( 3.523 -4.227 -1.537) 5.714 5.503 ( 0.272 5.146 1.905) 5.494 5.527 ( -0.578 3.557 0.867) 3.707 8.091 ( 1.042 -1.359 -1.232) 2.110 8.215 ( 7.717 -7.351 -0.283) 10.661 9.396 ( -12.649 9.967 2.150) 16.247 9.708 ( -15.382 -4.579 1.670) 16.135 10.298 ( 1.733 6.735 1.077) 7.037 10.580 ( 10.683 -7.126 2.515) 13.086 11.213 ( -1.714 0.369 -0.912) 1.976 11.391 ( 5.346 -7.878 -1.942) 9.717 12.137 ( -14.809 11.478 -1.028) 18.764 12.572 ( -2.713 -8.580 -1.367) 9.102 13.166 ( 9.713 7.092 -0.399) 12.033 13.411 ( 6.048 -4.823 -0.080) 7.736 18.162 ( 3.944 19.668 -2.418) 20.205 18.977 ( 4.042 -18.936 -1.597) 19.429 20.592 ( -3.775 5.754 -2.065) 7.185 20.951 ( -10.182 -9.581 -0.109) 13.981 23.071 ( -6.270 14.772 1.192) 16.092 23.562 ( -6.011 -8.406 2.617) 10.660 25.153 ( 9.228 7.444 0.972) 11.896 25.222 ( 11.057 3.932 -0.298) 11.739 105.227 ( -0.598 0.501 0.447) 0.899 105.249 ( 0.312 -0.568 0.582) 0.871 105.791 ( 0.062 -1.481 -0.477) 1.557 105.823 ( 0.023 -3.478 -0.052) 3.478 ======================= Grid point 425 (219/272) ======================= q-point: ( 0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 2.126 10.026 -2.299) 10.503 2.523 ( -2.091 -11.088 -1.739) 11.417 3.136 ( -1.286 15.503 -0.750) 15.575 3.672 ( -2.435 -1.082 0.072) 2.665 3.714 ( -8.648 -4.316 -1.047) 9.721 3.906 ( -2.783 -3.039 3.012) 5.105 4.944 ( 5.601 13.401 -2.120) 14.678 5.009 ( 0.087 6.019 -0.293) 6.026 5.146 ( -0.439 -1.220 -0.528) 1.400 5.298 ( 2.892 -3.428 -1.690) 4.793 5.533 ( 1.360 4.802 1.706) 5.274 5.545 ( 1.510 3.786 2.265) 4.663 8.156 ( 5.531 2.436 -0.441) 6.060 8.393 ( 9.262 -8.812 -0.424) 12.791 9.125 ( -14.019 9.093 2.487) 16.894 9.441 ( -11.295 -6.626 1.892) 13.231 10.301 ( -1.153 9.453 0.521) 9.538 10.704 ( -1.724 -10.104 2.910) 10.655 11.229 ( 4.675 2.541 -1.615) 5.561 11.507 ( 6.558 -8.749 -1.477) 11.034 11.868 ( -10.004 12.439 -0.807) 15.983 12.427 ( -9.417 -13.187 -0.729) 16.221 13.384 ( 10.559 6.572 -0.928) 12.472 13.537 ( 5.687 -1.586 -0.074) 5.904 18.275 ( 7.631 20.397 -0.361) 21.781 19.066 ( 5.460 -16.480 -3.034) 17.624 20.473 ( -6.382 1.891 -1.762) 6.886 20.681 ( -15.110 -5.720 0.171) 16.157 22.942 ( -6.046 12.982 0.515) 14.330 23.433 ( -7.168 -9.890 2.184) 12.408 25.391 ( 11.906 8.361 2.005) 14.686 25.478 ( 13.014 4.270 -0.517) 13.706 105.216 ( -0.565 0.798 0.206) 0.999 105.255 ( 0.021 -1.113 0.476) 1.211 105.789 ( 0.017 -1.392 -0.447) 1.462 105.824 ( 0.112 -3.325 -0.051) 3.327 ======================= Grid point 426 (220/272) ======================= q-point: ( 0.38 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 1.927 6.146 -2.054) 6.761 2.436 ( -4.733 -9.425 -3.818) 11.216 3.146 ( 2.288 10.377 -0.254) 10.630 3.489 ( -9.599 -5.873 -0.755) 11.278 3.665 ( -1.134 5.452 1.269) 5.711 3.872 ( -1.960 -3.355 3.160) 5.009 4.992 ( 0.947 7.910 -1.648) 8.135 5.060 ( 3.817 7.921 -1.236) 8.880 5.137 ( 0.160 1.217 0.476) 1.316 5.320 ( -0.181 -1.399 -1.296) 1.916 5.572 ( 1.546 4.911 1.482) 5.357 5.598 ( 2.150 3.063 2.072) 4.277 8.290 ( 6.960 4.831 -0.037) 8.473 8.549 ( 5.446 -7.538 -0.712) 9.327 8.892 ( -9.272 9.154 1.825) 13.156 9.287 ( -4.636 -10.232 1.726) 11.365 10.292 ( 0.876 9.393 0.124) 9.434 10.588 ( -8.317 -4.770 1.520) 9.708 11.341 ( 5.429 0.229 -1.013) 5.527 11.582 ( -0.651 2.822 -0.183) 2.902 11.782 ( 3.099 -3.443 -0.528) 4.663 12.216 ( -10.535 -12.919 -0.167) 16.671 13.555 ( 6.492 4.933 -1.115) 8.229 13.623 ( 2.667 0.899 -0.029) 2.814 18.450 ( 8.651 19.554 1.308) 21.423 19.142 ( 3.512 -11.695 -4.934) 13.170 20.316 ( -8.593 -0.032 -1.039) 8.655 20.417 ( -8.708 -4.558 0.465) 9.840 22.848 ( -3.201 10.984 0.131) 11.442 23.320 ( -4.624 -10.678 1.853) 11.783 25.610 ( 7.532 8.593 2.622) 11.723 25.699 ( 8.327 4.557 -0.847) 9.530 105.207 ( -0.426 0.905 0.090) 1.004 105.256 ( -0.223 -1.519 0.448) 1.600 105.788 ( 0.048 -1.241 -0.398) 1.304 105.826 ( 0.144 -3.234 -0.107) 3.239 ======================= Grid point 427 (221/272) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 1.441 1.089 -0.422) 1.854 2.310 ( -4.626 -7.899 -3.676) 9.865 3.185 ( -0.622 7.055 0.063) 7.083 3.356 ( -1.056 -1.397 0.418) 1.800 3.657 ( -0.502 5.914 1.788) 6.199 3.871 ( 0.510 -4.169 2.351) 4.814 5.006 ( 1.413 7.219 -2.188) 7.675 5.086 ( 0.516 1.957 -1.802) 2.709 5.173 ( 1.535 6.305 1.233) 6.606 5.278 ( -3.066 0.808 -0.640) 3.235 5.606 ( 0.978 5.265 0.958) 5.440 5.644 ( 1.410 2.608 0.999) 3.129 8.383 ( 0.480 5.121 -0.119) 5.145 8.596 ( 0.505 -4.943 -0.739) 5.023 8.802 ( 0.113 8.589 1.073) 8.656 9.261 ( 0.839 -12.544 0.958) 12.609 10.336 ( 1.507 9.065 -0.762) 9.221 10.491 ( 1.834 -0.842 -0.077) 2.020 11.393 ( -0.949 -1.036 -0.099) 1.408 11.551 ( -0.258 8.170 0.328) 8.181 11.850 ( -2.473 -14.538 0.895) 14.774 12.062 ( -0.264 -9.426 0.087) 9.430 13.619 ( -0.499 3.967 -1.072) 4.139 13.651 ( 0.808 1.984 -0.083) 2.144 18.598 ( 3.908 16.782 0.892) 17.254 19.135 ( -1.217 -5.996 -5.643) 8.323 20.197 ( -0.487 0.466 -0.204) 0.704 20.331 ( -0.941 -6.456 0.926) 6.590 22.817 ( 0.131 10.044 -0.032) 10.045 23.278 ( -0.332 -10.949 1.671) 11.081 25.703 ( -0.105 8.277 2.690) 8.704 25.783 ( 0.167 4.707 -1.122) 4.842 105.201 ( -0.200 0.896 0.140) 0.928 105.252 ( -0.328 -1.690 0.545) 1.806 105.787 ( 0.090 -1.131 -0.372) 1.194 105.828 ( 0.130 -3.236 -0.178) 3.243 ======================= Grid point 428 (222/272) ======================= q-point: (-0.38 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -3.866 0.516 -1.582) 4.209 2.274 ( 1.799 -9.261 1.833) 9.610 3.128 ( -2.807 10.684 0.490) 11.058 3.448 ( 7.514 -4.424 0.989) 8.775 3.665 ( 0.345 7.165 1.519) 7.333 3.916 ( 2.741 -4.802 1.071) 5.632 5.020 ( 1.254 7.678 -2.936) 8.315 5.090 ( 0.669 2.116 -1.198) 2.522 5.145 ( -4.408 5.710 -1.032) 7.287 5.232 ( -1.331 1.051 1.759) 2.443 5.618 ( -0.137 5.715 0.174) 5.719 5.662 ( 0.143 2.566 -0.452) 2.610 8.309 ( -5.916 4.703 -0.808) 7.601 8.555 ( -4.586 -7.450 -0.929) 8.797 8.921 ( 10.426 9.072 0.727) 13.840 9.322 ( 5.051 -10.635 0.300) 11.777 10.328 ( -0.088 11.096 -1.180) 11.159 10.664 ( 11.834 -4.406 -1.411) 12.706 11.306 ( -6.758 0.293 0.305) 6.771 11.562 ( -1.459 -0.590 0.329) 1.608 11.726 ( -4.077 -0.263 1.852) 4.485 12.190 ( 8.883 -13.527 0.835) 16.205 13.541 ( -6.181 5.222 -0.579) 8.112 13.637 ( -2.322 0.318 -0.554) 2.409 18.576 ( -5.316 15.032 -3.032) 16.230 19.068 ( -2.380 -5.955 -2.736) 6.972 20.285 ( 6.787 -0.085 0.441) 6.802 20.403 ( 8.769 -5.024 0.840) 10.141 22.852 ( 3.285 10.643 -0.039) 11.139 23.324 ( 3.727 -10.738 1.762) 11.502 25.634 ( -7.802 7.463 2.330) 11.045 25.693 ( -8.087 4.842 -1.297) 9.514 105.201 ( 0.086 0.826 0.316) 0.889 105.249 ( -0.343 -1.594 0.720) 1.783 105.787 ( 0.127 -1.117 -0.367) 1.182 105.829 ( 0.078 -3.320 -0.238) 3.330 ======================= Grid point 429 (223/272) ======================= q-point: (-0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -3.344 4.281 -0.100) 5.433 2.347 ( 2.781 -12.216 4.933) 13.465 3.113 ( 1.234 15.370 0.331) 15.423 3.630 ( 9.128 -9.056 1.493) 12.945 3.683 ( 0.682 8.655 0.762) 8.715 3.980 ( 3.047 -5.532 -0.310) 6.323 4.986 ( -4.244 12.333 -3.860) 13.602 5.064 ( 0.096 4.894 -2.241) 5.383 5.106 ( 0.165 0.191 0.754) 0.795 5.204 ( -2.447 -0.679 1.684) 3.047 5.601 ( -1.517 5.762 -0.551) 5.984 5.647 ( -0.988 2.680 -1.608) 3.277 8.180 ( -5.500 2.541 -1.336) 6.204 8.418 ( -7.689 -8.757 -1.436) 11.742 9.186 ( 14.489 8.302 0.058) 16.699 9.482 ( 10.641 -6.581 0.195) 12.513 10.323 ( -0.506 11.457 -0.049) 11.468 10.795 ( -3.062 -11.553 -0.190) 11.953 11.196 ( -0.742 3.239 -0.627) 3.382 11.461 ( -5.928 -8.759 -0.128) 10.577 11.815 ( 10.301 13.121 1.342) 16.735 12.382 ( 8.977 -13.423 1.023) 16.181 13.371 ( -9.953 6.741 -0.402) 12.027 13.552 ( -5.532 -2.226 -0.655) 5.999 18.403 ( -7.912 15.914 -5.430) 18.583 19.006 ( -2.928 -11.722 -0.726) 12.104 20.427 ( 7.077 3.391 0.352) 7.855 20.673 ( 15.197 -6.534 0.277) 16.545 22.946 ( 5.711 12.465 0.301) 13.714 23.436 ( 5.834 -9.836 2.202) 11.646 25.431 ( -12.420 6.395 1.470) 14.047 25.464 ( -12.905 4.944 -1.096) 13.863 105.208 ( 0.365 0.689 0.523) 0.939 105.246 ( -0.374 -1.234 0.860) 1.550 105.788 ( 0.173 -1.201 -0.374) 1.270 105.829 ( -0.002 -3.450 -0.261) 3.460 ======================= Grid point 430 (224/272) ======================= q-point: (-0.12 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -0.977 8.207 1.484) 8.397 2.429 ( 2.375 -13.536 5.379) 14.759 3.171 ( 3.711 18.255 0.049) 18.628 3.690 ( -0.283 8.883 -0.117) 8.888 3.812 ( 7.106 -10.608 1.989) 12.922 4.024 ( 1.480 -7.179 -1.438) 7.470 4.872 ( -3.793 13.745 -3.612) 14.709 5.066 ( 0.278 5.552 -2.554) 6.118 5.109 ( 0.032 0.445 0.564) 0.719 5.172 ( -0.756 -3.131 1.128) 3.413 5.555 ( -2.469 5.649 -0.473) 6.183 5.607 ( -1.947 2.610 -1.774) 3.708 8.094 ( -1.818 -0.677 -1.232) 2.298 8.253 ( -7.073 -8.031 -1.890) 10.867 9.460 ( 10.884 9.379 -0.496) 14.377 9.744 ( 14.407 -3.994 0.166) 14.951 10.296 ( -2.697 7.379 1.499) 7.998 10.568 ( -15.631 -6.437 3.121) 17.190 11.247 ( 3.873 -1.395 -2.039) 4.594 11.355 ( -4.208 -6.717 -0.932) 7.981 12.111 ( 16.997 11.215 -0.032) 20.364 12.529 ( 3.610 -7.977 0.324) 8.762 13.163 ( -8.992 6.835 -0.221) 11.297 13.422 ( -6.247 -5.207 -0.529) 8.150 18.235 ( -5.173 17.142 -5.385) 18.698 18.949 ( -2.020 -16.680 -0.382) 16.807 20.563 ( 5.783 6.980 -0.765) 9.097 20.948 ( 10.485 -9.886 -0.138) 14.411 23.072 ( 5.546 14.381 1.061) 15.450 23.562 ( 4.465 -8.226 2.764) 9.759 25.190 ( -10.089 5.594 -0.268) 11.539 25.205 ( -11.042 4.763 0.079) 12.026 105.221 ( 0.530 0.432 0.661) 0.951 105.243 ( -0.451 -0.670 0.861) 1.181 105.790 ( 0.205 -1.341 -0.397) 1.413 105.827 ( -0.075 -3.562 -0.225) 3.570 ======================= Grid point 431 (225/272) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 2.170 -13.672 2.669) 14.098 2.219 ( 2.170 13.672 2.669) 14.098 3.596 ( 1.263 -16.840 -0.564) 16.897 3.596 ( 1.263 16.840 -0.564) 16.897 3.866 ( -1.076 -6.852 0.233) 6.939 3.866 ( -1.076 6.852 0.233) 6.939 5.037 ( 0.426 -7.211 -2.451) 7.628 5.037 ( 0.426 7.211 -2.451) 7.628 5.129 ( 0.684 -0.331 -0.717) 1.045 5.129 ( 0.684 0.331 -0.717) 1.045 5.575 ( -1.865 -1.063 0.153) 2.152 5.575 ( -1.865 1.063 0.153) 2.152 8.068 ( -0.256 -0.724 -1.164) 1.394 8.068 ( -0.256 0.724 -1.164) 1.394 9.781 ( -2.180 -10.504 0.406) 10.736 9.781 ( -2.180 10.504 0.406) 10.736 10.325 ( 0.223 -4.475 2.857) 5.314 10.325 ( 0.223 4.475 2.857) 5.314 11.250 ( 0.382 -1.069 -1.744) 2.080 11.250 ( 0.382 1.069 -1.744) 2.080 12.482 ( 1.204 -3.774 -0.956) 4.075 12.482 ( 1.204 3.774 -0.956) 4.075 13.191 ( -0.104 -7.312 0.022) 7.313 13.191 ( -0.104 7.312 0.022) 7.313 18.536 ( 0.127 -19.839 -2.395) 19.983 18.536 ( 0.127 19.839 -2.395) 19.983 20.825 ( 0.542 -11.153 -1.112) 11.221 20.825 ( 0.542 11.153 -1.112) 11.221 23.421 ( -0.646 -12.179 2.530) 12.455 23.421 ( -0.646 12.179 2.530) 12.455 25.129 ( -0.141 -0.567 -0.007) 0.585 25.129 ( -0.141 0.567 -0.007) 0.585 105.236 ( 0.013 -0.160 0.662) 0.682 105.236 ( 0.013 0.160 0.662) 0.682 105.782 ( 0.074 -0.670 -0.419) 0.794 105.782 ( 0.074 0.670 -0.419) 0.794 ======================= Grid point 433 (226/272) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 1.802 -13.589 -0.178) 13.709 2.269 ( 1.802 13.589 -0.178) 13.709 3.551 ( -4.564 -16.401 -1.372) 17.079 3.551 ( -4.564 16.401 -1.372) 17.079 3.848 ( -1.363 -5.627 1.325) 5.939 3.848 ( -1.363 5.627 1.325) 5.939 5.062 ( 2.610 -4.630 -1.883) 5.639 5.062 ( 2.610 4.630 -1.883) 5.639 5.139 ( 1.209 -2.281 -1.168) 2.833 5.139 ( 1.209 2.281 -1.168) 2.833 5.560 ( -0.093 -0.501 1.572) 1.652 5.560 ( -0.093 0.501 1.572) 1.652 8.109 ( 4.757 -3.118 -0.671) 5.727 8.109 ( 4.757 3.118 -0.671) 5.727 9.581 ( -14.546 -7.982 1.933) 16.705 9.581 ( -14.546 7.982 1.933) 16.705 10.436 ( 5.660 -7.006 1.932) 9.212 10.436 ( 5.660 7.006 1.932) 9.212 11.262 ( 2.153 -4.552 -1.675) 5.307 11.262 ( 2.153 4.552 -1.675) 5.307 12.369 ( -9.680 -11.119 -1.118) 14.784 12.369 ( -9.680 11.119 -1.118) 14.784 13.302 ( 8.998 -6.091 -0.205) 10.868 13.302 ( 8.998 6.091 -0.205) 10.868 18.573 ( 4.575 -20.660 -1.973) 21.252 18.573 ( 4.575 20.660 -1.973) 21.252 20.750 ( -6.980 -9.516 -1.046) 11.848 20.750 ( -6.980 9.516 -1.046) 11.848 23.349 ( -6.880 -12.446 2.110) 14.377 23.349 ( -6.880 12.446 2.110) 14.377 25.246 ( 10.507 -1.696 0.302) 10.647 25.246 ( 10.507 1.696 0.302) 10.647 105.237 ( -0.171 -0.567 0.465) 0.753 105.237 ( -0.171 0.567 0.465) 0.753 105.782 ( 0.120 -0.677 -0.382) 0.787 105.782 ( 0.120 0.677 -0.382) 0.787 ======================= Grid point 435 (227/272) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 0.013 -12.238 -3.168) 12.641 2.280 ( 0.013 12.238 -3.168) 12.641 3.434 ( -5.396 -13.856 -1.070) 14.908 3.434 ( -5.396 13.856 -1.070) 14.908 3.817 ( -2.465 -5.521 2.101) 6.401 3.817 ( -2.465 5.521 2.101) 6.401 5.088 ( 0.474 -1.628 -0.989) 1.962 5.088 ( 0.474 1.628 -0.989) 1.962 5.185 ( 3.755 -7.145 -1.500) 8.210 5.185 ( 3.755 7.145 -1.500) 8.210 5.584 ( 1.235 -0.209 2.402) 2.709 5.584 ( 1.235 0.210 2.402) 2.709 8.242 ( 8.163 -6.015 -0.380) 10.147 8.242 ( 8.163 6.015 -0.380) 10.147 9.296 ( -13.506 -7.788 2.187) 15.743 9.296 ( -13.506 7.788 2.187) 15.743 10.499 ( -0.646 -10.091 1.698) 10.253 10.499 ( -0.646 10.091 1.698) 10.253 11.332 ( 5.388 -7.423 -1.545) 9.302 11.332 ( 5.388 7.423 -1.545) 9.302 12.147 ( -10.626 -14.269 -0.744) 17.807 12.147 ( -10.626 14.269 -0.744) 17.807 13.486 ( 8.445 -3.625 -0.452) 9.201 13.486 ( 8.445 3.625 -0.452) 9.201 18.689 ( 7.426 -20.195 -1.607) 21.577 18.689 ( 7.426 20.195 -1.607) 21.577 20.557 ( -10.761 -5.839 -0.731) 12.265 20.557 ( -10.761 5.839 -0.731) 12.265 23.205 ( -7.447 -12.527 1.454) 14.645 23.205 ( -7.447 12.527 1.454) 14.645 25.499 ( 12.689 -2.209 0.641) 12.896 25.499 ( 12.689 2.209 0.641) 12.896 105.234 ( -0.328 -0.973 0.266) 1.061 105.234 ( -0.328 0.973 0.266) 1.061 105.783 ( 0.157 -0.813 -0.351) 0.899 105.783 ( 0.157 0.813 -0.351) 0.899 ======================= Grid point 437 (228/272) ======================= q-point: ( 0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -1.834 -9.404 -4.500) 10.585 2.238 ( -1.834 9.404 -4.500) 10.585 3.341 ( -3.229 -8.603 -0.339) 9.195 3.341 ( -3.229 8.603 -0.339) 9.195 3.781 ( -2.065 -5.441 2.589) 6.369 3.781 ( -2.065 5.441 2.589) 6.369 5.085 ( 0.148 -2.268 -1.268) 2.603 5.085 ( 0.148 2.268 -1.268) 2.603 5.247 ( 2.492 -5.705 -0.832) 6.281 5.247 ( 2.492 5.705 -0.832) 6.281 5.628 ( 1.594 -0.563 2.376) 2.916 5.628 ( 1.594 0.563 2.376) 2.916 8.406 ( 7.169 -6.553 -0.392) 9.720 8.406 ( 7.169 6.553 -0.392) 9.720 9.085 ( -7.869 -9.805 1.823) 12.704 9.085 ( -7.869 9.805 1.823) 12.704 10.463 ( -2.298 -7.484 0.945) 7.886 10.463 ( -2.298 7.484 0.945) 7.886 11.438 ( 4.927 -8.731 -0.940) 10.069 11.438 ( 4.927 8.731 -0.940) 10.069 11.953 ( -7.824 -12.858 -0.137) 15.052 11.953 ( -7.824 12.858 -0.137) 15.052 13.619 ( 4.676 -1.548 -0.531) 4.954 13.619 ( 4.676 1.548 -0.531) 4.954 18.834 ( 6.925 -17.924 -1.550) 19.277 18.834 ( 6.925 17.924 -1.550) 19.277 20.344 ( -8.870 -2.704 -0.341) 9.280 20.344 ( -8.870 2.704 -0.341) 9.280 23.087 ( -4.468 -12.131 1.010) 12.968 23.087 ( -4.468 12.131 1.010) 12.968 25.722 ( 7.982 -2.329 0.784) 8.351 25.722 ( 7.982 2.329 0.784) 8.351 105.228 ( -0.365 -1.206 0.181) 1.273 105.228 ( -0.365 1.206 0.181) 1.273 105.784 ( 0.164 -0.944 -0.343) 1.018 105.784 ( 0.164 0.944 -0.343) 1.018 ======================= Grid point 439 (229/272) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -2.059 -5.175 -3.312) 6.480 2.173 ( -2.059 5.175 -3.312) 6.480 3.301 ( -0.614 -4.219 0.250) 4.271 3.301 ( -0.614 4.219 0.250) 4.271 3.772 ( -0.058 -5.417 2.433) 5.938 3.772 ( -0.058 5.417 2.433) 5.938 5.085 ( 0.642 -1.483 -1.517) 2.217 5.085 ( 0.642 1.483 -1.517) 2.217 5.267 ( -0.262 -2.322 -0.459) 2.382 5.267 ( -0.262 2.322 -0.459) 2.382 5.668 ( 1.109 -0.829 1.553) 2.080 5.668 ( 1.109 0.829 1.553) 2.080 8.488 ( 0.387 -5.297 -0.506) 5.335 8.488 ( 0.387 5.297 -0.506) 5.335 9.015 ( 0.474 -11.721 1.157) 11.787 9.015 ( 0.474 11.721 1.157) 11.787 10.458 ( 2.118 -3.175 -0.482) 3.847 10.458 ( 2.118 3.175 -0.482) 3.847 11.482 ( -1.198 -9.234 -0.010) 9.312 11.482 ( -1.198 9.234 -0.010) 9.312 11.856 ( -0.988 -10.072 0.550) 10.135 11.856 ( -0.988 10.072 0.550) 10.135 13.665 ( 0.096 -0.707 -0.520) 0.883 13.665 ( 0.096 0.707 -0.520) 0.883 18.918 ( 1.553 -14.279 -2.118) 14.518 18.918 ( 1.553 14.279 -2.118) 14.518 20.236 ( -0.854 -3.237 0.275) 3.359 20.236 ( -0.854 3.237 0.275) 3.359 23.044 ( -0.175 -11.902 0.840) 11.933 23.044 ( -0.175 11.902 0.840) 11.933 25.809 ( -0.079 -2.106 0.750) 2.237 25.809 ( -0.079 2.106 0.750) 2.237 105.223 ( -0.261 -1.269 0.261) 1.321 105.223 ( -0.261 1.269 0.261) 1.321 105.785 ( 0.136 -1.017 -0.363) 1.088 105.785 ( 0.136 1.017 -0.363) 1.088 ======================= Grid point 441 (230/272) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -1.018 -4.721 -0.364) 4.844 2.130 ( -1.018 4.721 -0.364) 4.844 3.320 ( 2.351 -8.100 0.518) 8.451 3.320 ( 2.351 8.100 0.518) 8.451 3.803 ( 1.774 -6.306 1.623) 6.749 3.803 ( 1.774 6.306 1.623) 6.749 5.094 ( 0.794 -0.908 -1.039) 1.593 5.094 ( 0.794 0.908 -1.039) 1.593 5.233 ( -2.520 -1.877 -1.033) 3.308 5.233 ( -2.520 1.877 -1.033) 3.308 5.685 ( -0.056 -0.904 0.348) 0.970 5.685 ( -0.056 0.904 0.348) 0.970 8.419 ( -6.045 -6.121 -0.915) 8.651 8.419 ( -6.045 6.121 -0.915) 8.651 9.114 ( 8.349 -9.978 0.676) 13.028 9.114 ( 8.349 9.978 0.676) 13.028 10.529 ( 4.301 -8.653 -1.532) 9.784 10.529 ( 4.301 8.653 -1.532) 9.784 11.400 ( -5.779 -8.461 0.439) 10.256 11.400 ( -5.779 8.461 0.439) 10.256 11.920 ( 6.100 -12.994 1.182) 14.403 11.920 ( 6.100 12.994 1.182) 14.403 13.618 ( -4.442 -2.358 -0.469) 5.051 13.618 ( -4.442 2.358 -0.469) 5.051 18.866 ( -4.876 -13.059 -2.820) 14.222 18.866 ( -4.876 13.059 -2.820) 14.222 20.320 ( 8.262 -3.206 0.630) 8.885 20.320 ( 8.262 3.206 0.630) 8.885 23.088 ( 3.953 -12.202 0.975) 12.864 23.088 ( 3.953 12.202 0.975) 12.864 25.726 ( -8.175 -1.562 0.593) 8.344 25.726 ( -8.175 1.562 0.593) 8.344 105.221 ( -0.078 -1.184 0.457) 1.272 105.221 ( -0.078 1.184 0.457) 1.272 105.786 ( 0.091 -1.024 -0.398) 1.102 105.786 ( 0.091 1.024 -0.398) 1.102 ======================= Grid point 443 (231/272) ======================= q-point: (-0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 0.213 -8.983 2.588) 9.351 2.128 ( 0.213 8.983 2.588) 9.351 3.401 ( 5.170 -13.019 0.440) 14.015 3.401 ( 5.170 13.019 0.440) 14.015 3.850 ( 1.969 -7.400 0.617) 7.683 3.850 ( 1.969 7.400 0.617) 7.683 5.103 ( 0.268 -0.357 0.227) 0.501 5.103 ( 0.268 0.357 0.227) 0.501 5.161 ( -3.279 -4.417 -2.547) 6.063 5.161 ( -3.279 4.417 -2.547) 6.063 5.668 ( -1.423 -1.024 -0.680) 1.880 5.668 ( -1.423 1.024 -0.680) 1.880 8.268 ( -7.420 -6.021 -1.411) 9.659 8.268 ( -7.420 6.021 -1.411) 9.659 9.343 ( 13.481 -7.289 0.298) 15.328 9.343 ( 13.481 7.289 0.298) 15.328 10.558 ( -2.165 -11.772 -0.266) 11.973 10.558 ( -2.165 11.772 -0.266) 11.973 11.298 ( -3.470 -6.840 -0.573) 7.692 11.298 ( -3.470 6.840 -0.573) 7.692 12.099 ( 10.554 -14.388 1.187) 17.883 12.099 ( 10.554 14.388 1.187) 17.883 13.485 ( -8.141 -4.484 -0.399) 9.303 13.485 ( -8.141 4.484 -0.399) 9.303 18.724 ( -6.588 -15.495 -2.988) 17.101 18.724 ( -6.588 15.495 -2.988) 17.101 20.534 ( 11.395 -6.679 0.169) 13.209 20.534 ( 11.395 6.679 0.169) 13.209 23.205 ( 6.572 -12.648 1.468) 14.329 23.205 ( 6.572 12.648 1.468) 14.329 25.506 ( -12.944 -0.872 0.359) 12.979 25.506 ( -12.944 0.872 0.359) 12.979 105.224 ( 0.078 -0.945 0.656) 1.153 105.224 ( 0.078 0.945 0.656) 1.153 105.785 ( 0.054 -0.954 -0.429) 1.047 105.785 ( 0.054 0.954 -0.429) 1.047 ======================= Grid point 445 (232/272) ======================= q-point: (-0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 1.375 -12.211 3.817) 12.867 2.163 ( 1.375 12.211 3.817) 12.867 3.519 ( 5.559 -15.987 0.167) 16.927 3.519 ( 5.559 15.987 0.167) 16.927 3.877 ( 0.344 -7.837 -0.071) 7.845 3.877 ( 0.344 7.837 -0.071) 7.845 5.075 ( -2.710 -6.752 -1.510) 7.430 5.075 ( -2.710 6.752 -1.510) 7.430 5.119 ( 0.652 -0.444 -1.228) 1.460 5.119 ( 0.652 0.444 -1.228) 1.460 5.624 ( -2.357 -1.246 -0.858) 2.800 5.624 ( -2.357 1.246 -0.858) 2.800 8.129 ( -4.879 -4.065 -1.508) 6.527 8.129 ( -4.879 4.065 -1.508) 6.527 9.631 ( 13.418 -7.231 -0.128) 15.243 9.631 ( 13.418 7.231 -0.128) 15.243 10.436 ( -9.066 -6.653 2.241) 11.466 10.436 ( -9.066 6.653 2.241) 11.466 11.258 ( -0.316 -2.688 -1.696) 3.194 11.258 ( -0.316 2.688 -1.696) 3.194 12.335 ( 11.230 -10.748 0.194) 15.546 12.335 ( 11.230 10.748 0.194) 15.546 13.303 ( -8.780 -6.625 -0.240) 11.001 13.303 ( -8.780 6.625 -0.240) 11.001 18.594 ( -4.216 -18.094 -2.770) 18.784 18.594 ( -4.216 18.094 -2.770) 18.784 20.740 ( 8.021 -10.116 -0.635) 12.925 20.740 ( 8.021 10.116 -0.635) 12.925 23.348 ( 5.697 -12.553 2.174) 13.955 23.348 ( 5.697 12.553 2.174) 13.955 25.251 ( -10.787 -0.362 0.087) 10.794 25.251 ( -10.787 0.362 0.087) 10.794 105.230 ( 0.116 -0.547 0.742) 0.929 105.230 ( 0.116 0.547 0.742) 0.929 105.783 ( 0.048 -0.810 -0.438) 0.922 105.783 ( 0.048 0.810 -0.438) 0.922 ======================= Grid point 495 (233/272) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.000 0.000 0.000) 0.000 1.089 ( 0.000 0.000 0.000) 0.000 2.218 ( -0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.947 ( -0.000 0.000 0.000) 0.000 4.264 ( -0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 0.000) 0.000 5.992 ( -0.000 0.000 0.000) 0.000 6.697 ( -0.000 0.000 0.000) 0.000 8.107 ( -0.000 0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 9.457 ( -0.000 0.000 0.000) 0.000 9.646 ( 0.000 0.000 0.000) 0.000 10.673 ( 0.000 0.000 0.000) 0.000 10.799 ( -0.000 0.000 0.000) 0.000 11.395 ( 0.000 0.000 0.000) 0.000 12.321 ( 0.000 0.000 0.000) 0.000 12.504 ( -0.000 0.000 0.000) 0.000 13.221 ( -0.000 0.000 0.000) 0.000 14.407 ( 0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 17.196 ( -0.000 0.000 0.000) 0.000 21.575 ( -0.000 0.000 0.000) 0.000 21.635 ( 0.000 0.000 0.000) 0.000 21.953 ( 0.000 0.000 0.000) 0.000 22.158 ( 0.000 0.000 0.000) 0.000 24.318 ( 0.000 0.000 0.000) 0.000 24.849 ( 0.000 0.000 0.000) 0.000 105.257 ( 0.000 0.000 0.000) 0.000 105.285 ( -0.000 0.000 0.000) 0.000 106.253 ( 0.000 0.000 0.000) 0.000 106.956 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 497 (234/272) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 14.018 0.000 -3.197) 14.377 1.293 ( 25.304 0.000 -0.964) 25.322 2.161 ( -3.833 0.000 -2.504) 4.579 2.862 ( -1.907 0.000 0.381) 1.944 2.997 ( 3.779 0.000 0.691) 3.841 3.428 ( 0.733 0.000 -0.023) 0.733 3.722 ( -3.709 0.000 3.415) 5.041 3.957 ( 1.520 0.000 -2.720) 3.116 4.226 ( -2.653 0.000 -3.097) 4.078 4.973 ( -5.082 0.000 -2.135) 5.512 5.857 ( -11.356 0.000 -3.136) 11.782 6.522 ( -14.720 0.000 7.631) 16.580 8.116 ( 0.704 0.000 0.509) 0.868 9.046 ( 20.892 0.000 1.706) 20.962 9.341 ( -8.698 0.000 -0.808) 8.736 9.412 ( 6.476 0.000 -2.546) 6.959 9.710 ( 3.984 0.000 0.216) 3.990 10.694 ( 1.925 0.000 -0.162) 1.932 10.832 ( 2.372 0.000 -2.036) 3.126 11.399 ( 1.245 0.000 2.148) 2.483 12.278 ( -3.568 0.000 -0.663) 3.629 12.536 ( 2.407 0.000 -0.154) 2.412 13.220 ( 0.336 0.000 0.109) 0.354 14.314 ( -8.514 0.000 -0.002) 8.514 16.604 ( -0.590 0.000 -2.940) 2.998 17.208 ( 0.208 0.000 3.431) 3.437 21.578 ( 0.428 0.000 -0.384) 0.575 21.736 ( 8.902 0.000 1.029) 8.961 22.113 ( 15.503 0.000 -1.001) 15.536 22.140 ( -1.478 0.000 -0.830) 1.696 24.289 ( -2.695 0.000 0.106) 2.698 24.798 ( -4.753 0.000 -0.557) 4.785 105.217 ( -1.817 0.000 -0.356) 1.852 105.345 ( 2.911 0.000 2.552) 3.871 106.248 ( -0.449 0.000 0.330) 0.557 106.893 ( -6.090 0.000 0.466) 6.108 ======================= Grid point 498 (235/272) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 20.088 0.000 -4.293) 20.541 1.732 ( 11.617 0.000 -3.094) 12.022 2.149 ( 7.526 0.000 1.238) 7.627 2.791 ( -5.787 0.000 0.862) 5.850 3.114 ( 7.988 0.000 2.576) 8.393 3.458 ( 3.048 0.000 -3.334) 4.517 3.660 ( -3.938 0.000 4.131) 5.707 3.970 ( 1.213 0.000 -3.033) 3.266 4.144 ( -2.842 0.000 -3.710) 4.674 4.788 ( -11.645 0.000 -3.817) 12.255 5.591 ( -11.200 0.000 -1.957) 11.370 6.283 ( -12.047 0.000 5.250) 13.141 8.142 ( 1.439 0.000 0.856) 1.674 9.146 ( -9.336 0.000 -1.094) 9.400 9.224 ( -0.153 0.000 1.750) 1.757 9.772 ( 22.849 0.000 -0.793) 22.862 9.777 ( 2.463 0.000 0.120) 2.466 10.740 ( 2.458 0.000 -0.233) 2.469 10.817 ( -2.244 0.000 -2.248) 3.176 11.497 ( 5.084 0.000 2.603) 5.712 12.208 ( -1.066 0.000 -1.370) 1.736 12.564 ( -0.573 0.000 1.243) 1.369 13.262 ( 4.081 0.000 0.987) 4.199 14.100 ( -11.177 0.000 -1.707) 11.307 16.569 ( -0.770 0.000 -3.737) 3.815 17.236 ( 0.236 0.000 4.436) 4.442 21.588 ( 0.768 0.000 -0.490) 0.911 21.957 ( 11.173 0.000 0.589) 11.188 22.094 ( -2.255 0.000 -1.229) 2.568 22.521 ( 22.585 0.000 2.035) 22.677 24.222 ( -3.518 0.000 0.097) 3.519 24.655 ( -8.673 0.000 -1.199) 8.756 105.190 ( -0.856 0.000 0.252) 0.892 105.413 ( 2.197 0.000 2.697) 3.478 106.246 ( 0.134 0.000 0.539) 0.556 106.736 ( -8.601 0.000 -0.438) 8.612 ======================= Grid point 499 (236/272) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -0.249 0.000 -4.174) 4.182 1.964 ( 20.116 0.000 -3.899) 20.490 2.348 ( 4.313 0.000 5.505) 6.993 2.624 ( -11.452 0.000 1.717) 11.580 3.422 ( 21.091 0.000 1.729) 21.162 3.494 ( 2.123 0.000 -4.015) 4.541 3.618 ( -2.022 0.000 2.746) 3.410 3.973 ( 0.509 0.000 -1.926) 1.992 4.092 ( -0.682 0.000 -1.643) 1.780 4.463 ( -17.894 0.000 -3.890) 18.312 5.417 ( -5.136 0.000 -0.988) 5.230 6.097 ( -7.707 0.000 2.160) 8.004 8.179 ( 1.546 0.000 0.761) 1.723 8.975 ( -6.329 0.000 -0.896) 6.392 9.212 ( -0.861 0.000 0.520) 1.006 9.813 ( 1.078 0.000 0.049) 1.079 10.127 ( 10.779 0.000 0.903) 10.817 10.780 ( 0.960 0.000 -1.989) 2.208 10.782 ( 1.582 0.000 -0.167) 1.591 11.519 ( -3.950 0.000 1.136) 4.110 12.272 ( 7.346 0.000 -1.770) 7.556 12.521 ( -4.580 0.000 2.894) 5.418 13.404 ( 8.604 0.000 2.712) 9.021 13.862 ( -10.635 0.000 -3.480) 11.190 16.538 ( -0.509 0.000 -2.415) 2.468 17.261 ( 0.136 0.000 2.913) 2.916 21.602 ( 0.708 0.000 -0.295) 0.767 22.045 ( -1.761 0.000 -0.923) 1.988 22.155 ( 7.312 0.000 0.009) 7.312 22.967 ( 17.445 0.000 3.587) 17.810 24.169 ( -1.183 0.000 0.146) 1.192 24.450 ( -9.930 0.000 -1.619) 10.061 105.181 ( -0.230 0.000 0.300) 0.378 105.458 ( 1.037 0.000 1.673) 1.969 106.263 ( 1.226 0.000 0.611) 1.370 106.570 ( -6.614 0.000 -1.079) 6.701 ======================= Grid point 500 (237/272) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 -0.000) 0.000 2.390 ( -0.000 0.000 0.000) 0.000 2.395 ( -0.000 0.000 0.000) 0.000 3.500 ( -0.000 0.000 0.000) 0.000 3.606 ( -0.000 0.000 0.000) 0.000 3.804 ( -0.000 0.000 -0.000) 0.000 3.973 ( -0.000 0.000 0.000) 0.000 4.074 ( -0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 5.364 ( -0.000 0.000 0.000) 0.000 6.020 ( -0.000 0.000 0.000) 0.000 8.199 ( -0.000 0.000 0.000) 0.000 8.903 ( -0.000 0.000 0.000) 0.000 9.204 ( -0.000 0.000 0.000) 0.000 9.824 ( -0.000 0.000 0.000) 0.000 10.228 ( -0.000 0.000 0.000) 0.000 10.798 ( -0.000 0.000 0.000) 0.000 10.806 ( -0.000 0.000 0.000) 0.000 11.454 ( -0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 -0.000) 0.000 12.419 ( -0.000 0.000 0.000) 0.000 13.592 ( 0.000 0.000 0.000) 0.000 13.656 ( -0.000 0.000 -0.000) 0.000 16.526 ( -0.000 0.000 0.000) 0.000 17.271 ( -0.000 0.000 0.000) 0.000 21.609 ( -0.000 0.000 0.000) 0.000 22.023 ( -0.000 0.000 0.000) 0.000 22.232 ( -0.000 0.000 -0.000) 0.000 23.173 ( -0.000 0.000 0.000) 0.000 24.177 ( -0.000 0.000 0.000) 0.000 24.307 ( 0.000 0.000 0.000) 0.000 105.180 ( -0.000 0.000 0.000) 0.000 105.473 ( -0.000 0.000 0.000) 0.000 106.285 ( -0.000 0.000 0.000) 0.000 106.490 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 505 (238/272) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 13.765 0.000) 13.765 1.455 ( 0.000 30.680 0.000) 30.680 2.110 ( -0.000 -8.268 0.000) 8.268 2.972 ( 0.000 1.818 0.000) 1.818 3.083 ( -0.000 17.665 0.000) 17.665 3.428 ( 0.000 0.700 0.000) 0.700 3.908 ( 0.000 14.233 0.000) 14.233 4.058 ( -0.000 10.527 0.000) 10.527 4.260 ( -0.000 -0.343 0.000) 0.343 4.973 ( 0.000 -5.117 0.000) 5.117 5.949 ( 0.000 -4.116 0.000) 4.116 6.309 ( -0.000 -27.179 0.000) 27.179 8.573 ( 0.000 30.320 0.000) 30.320 8.746 ( 0.000 1.197 0.000) 1.197 9.350 ( 0.000 2.352 0.000) 2.352 9.556 ( 0.000 7.357 0.000) 7.357 9.560 ( -0.000 -8.324 0.000) 8.324 10.464 ( 0.000 -12.753 0.000) 12.753 10.983 ( -0.000 10.786 0.000) 10.786 11.401 ( 0.000 0.733 0.000) 0.733 12.285 ( 0.000 -3.134 0.000) 3.134 12.455 ( -0.000 -4.765 0.000) 4.765 13.210 ( -0.000 -0.988 0.000) 0.988 14.231 ( 0.000 -14.049 0.000) 14.049 16.728 ( 0.000 9.935 0.000) 9.935 17.655 ( -0.000 40.074 0.000) 40.074 21.248 ( -0.000 -20.227 0.000) 20.227 21.473 ( 0.000 -12.410 0.000) 12.410 22.301 ( -0.000 10.433 0.000) 10.433 22.329 ( 0.000 25.150 -0.000) 25.150 24.312 ( 0.000 -0.197 0.000) 0.197 24.851 ( 0.000 0.168 0.000) 0.168 105.256 ( 0.000 -0.138 0.000) 0.138 105.278 ( -0.000 -0.631 0.000) 0.631 106.211 ( 0.000 -3.873 0.000) 3.873 106.867 ( -0.000 -8.455 0.000) 8.455 ======================= Grid point 507 (239/272) ======================= q-point: ( 0.12 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 13.073 8.797 0.856) 15.780 1.653 ( 17.389 26.617 -4.995) 32.184 2.084 ( -1.221 -5.102 0.078) 5.247 2.992 ( 1.021 4.239 1.545) 4.626 3.079 ( 0.238 14.432 -1.345) 14.496 3.430 ( 0.321 0.426 -0.274) 0.600 3.871 ( -3.899 13.713 3.507) 14.682 4.066 ( 0.844 9.780 -2.514) 10.133 4.231 ( -1.606 1.119 -2.928) 3.523 4.922 ( -4.757 -4.736 -1.788) 6.946 5.799 ( -11.482 -5.671 -2.833) 13.116 6.286 ( -4.693 -18.030 6.157) 19.622 8.313 ( -11.073 13.231 2.373) 17.416 9.121 ( 14.367 -0.291 -1.235) 14.423 9.264 ( -3.779 3.618 0.318) 5.241 9.508 ( 2.385 1.938 -0.899) 3.202 9.689 ( 7.269 1.792 -0.812) 7.531 10.537 ( 5.755 -8.517 -0.064) 10.279 11.001 ( 1.296 10.546 -1.990) 10.810 11.388 ( 0.509 -0.945 1.722) 2.030 12.247 ( -3.113 -2.914 -0.839) 4.346 12.496 ( 2.974 -3.536 1.003) 4.729 13.212 ( 0.402 -0.867 0.131) 0.964 14.167 ( -5.627 -11.928 -1.219) 13.245 16.742 ( 0.343 11.370 2.978) 11.758 17.594 ( -5.190 35.170 -0.760) 35.559 21.274 ( 2.322 -20.207 -0.003) 20.340 21.547 ( 6.285 -14.088 0.252) 15.428 22.304 ( 0.549 11.090 -0.692) 11.125 22.456 ( 12.437 24.390 -0.697) 27.387 24.295 ( -1.658 0.955 0.429) 1.961 24.806 ( -4.207 0.742 -0.494) 4.301 105.215 ( -1.789 -0.164 -0.324) 1.826 105.337 ( 2.877 -0.691 2.260) 3.723 106.208 ( -0.253 -3.713 0.207) 3.727 106.810 ( -5.377 -7.835 0.168) 9.504 ======================= Grid point 508 (240/272) ======================= q-point: ( 0.25 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 17.214 4.410 0.125) 17.770 1.869 ( 5.352 8.339 -7.705) 12.552 2.207 ( 12.444 9.744 4.352) 16.393 2.965 ( -5.035 14.916 0.199) 15.744 3.146 ( 8.047 3.745 1.400) 8.986 3.438 ( 1.270 -1.218 -3.178) 3.633 3.815 ( -3.108 13.708 3.869) 14.578 4.042 ( -1.740 3.984 -2.560) 5.045 4.193 ( 0.040 7.457 -3.395) 8.194 4.751 ( -10.828 -3.348 -3.189) 11.774 5.551 ( -10.137 -3.781 -1.664) 10.946 6.183 ( -7.911 -8.996 4.651) 12.851 8.189 ( -3.112 4.119 1.793) 5.465 9.044 ( -8.189 -8.559 -1.088) 11.895 9.297 ( -1.157 6.248 0.387) 6.366 9.641 ( 5.017 -8.422 0.184) 9.805 9.912 ( 15.798 7.080 -1.033) 17.342 10.616 ( 0.984 -5.172 0.065) 5.265 10.968 ( -2.794 8.650 -2.509) 9.430 11.515 ( 8.980 1.651 2.323) 9.422 12.185 ( -0.848 -2.393 -1.370) 2.884 12.549 ( 0.742 -0.792 2.301) 2.544 13.249 ( 3.490 -1.298 1.016) 3.860 14.009 ( -8.415 -7.795 -2.675) 11.779 16.765 ( -0.052 15.650 3.363) 16.007 17.470 ( -5.624 23.386 -1.167) 24.081 21.327 ( 2.303 -19.874 0.767) 20.021 21.682 ( 6.124 -16.718 -0.712) 17.818 22.322 ( 1.800 11.650 -0.964) 11.828 22.793 ( 19.012 21.046 1.518) 28.403 24.258 ( -1.985 3.862 0.643) 4.390 24.680 ( -7.551 2.503 -1.071) 8.027 105.188 ( -0.847 -0.124 0.218) 0.884 105.403 ( 2.211 -0.892 2.393) 3.378 106.209 ( 0.298 -3.452 0.352) 3.483 106.670 ( -7.639 -6.289 -0.558) 9.910 ======================= Grid point 509 (241/272) ======================= q-point: ( 0.38 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 1.729 2.352 -2.593) 3.904 2.074 ( 16.967 7.676 -3.158) 18.888 2.413 ( 3.989 8.549 5.397) 10.869 2.803 ( -10.855 15.911 0.475) 19.267 3.427 ( 6.861 -1.856 -3.113) 7.759 3.459 ( 13.693 1.537 0.680) 13.796 3.793 ( -0.985 14.114 2.079) 14.301 3.999 ( -0.733 -0.494 -0.940) 1.290 4.187 ( 0.409 11.633 -1.999) 11.810 4.450 ( -16.688 -1.017 -3.313) 17.044 5.393 ( -4.708 -2.286 -0.934) 5.316 6.048 ( -6.229 -4.678 2.142) 8.079 8.173 ( 0.076 -0.325 1.199) 1.245 8.892 ( -5.605 -7.412 -0.924) 9.339 9.266 ( -1.234 5.056 0.010) 5.205 9.690 ( 0.820 -10.115 0.171) 10.149 10.197 ( 10.070 4.567 0.356) 11.063 10.606 ( -0.105 -9.566 -0.059) 9.566 10.900 ( -2.452 5.585 -2.223) 6.492 11.627 ( 0.139 9.257 1.238) 9.340 12.254 ( 7.738 -2.731 -1.750) 8.390 12.542 ( -2.866 3.112 3.248) 5.333 13.374 ( 7.554 -3.040 2.749) 8.594 13.810 ( -9.217 -4.747 -3.842) 11.057 16.774 ( -0.350 20.893 1.756) 20.970 17.375 ( -3.047 11.602 -0.641) 12.013 21.368 ( 1.298 -19.318 0.643) 19.372 21.766 ( 2.552 -16.958 -0.861) 17.171 22.361 ( 2.154 9.792 -0.644) 10.047 23.172 ( 15.112 16.302 2.730) 22.396 24.233 ( -0.554 6.592 0.590) 6.641 24.505 ( -8.209 5.509 -1.407) 9.986 105.179 ( -0.236 -0.145 0.262) 0.381 105.448 ( 1.081 -0.969 1.492) 2.082 106.227 ( 1.184 -3.455 0.424) 3.676 106.521 ( -5.900 -4.647 -0.962) 7.572 ======================= Grid point 510 (242/272) ======================= q-point: ( 0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.000 4.056 0.000) 4.056 2.279 ( -0.000 0.626 0.000) 0.626 2.547 ( 0.000 14.315 0.000) 14.315 2.565 ( -0.000 15.417 0.000) 15.417 3.430 ( -0.000 -3.593 0.000) 3.593 3.781 ( -0.000 -2.138 -0.000) 2.138 3.781 ( 0.000 13.076 0.000) 13.076 4.063 ( -0.000 5.058 -0.000) 5.058 4.073 ( 0.000 0.583 0.000) 0.583 4.210 ( 0.000 10.035 0.000) 10.035 5.344 ( -0.000 -1.891 0.000) 1.891 5.986 ( -0.000 -3.324 0.000) 3.324 8.181 ( -0.000 -1.553 0.000) 1.553 8.829 ( -0.000 -6.839 0.000) 6.839 9.254 ( -0.000 4.823 0.000) 4.823 9.697 ( -0.000 -10.670 0.000) 10.670 10.292 ( -0.000 5.096 0.000) 5.096 10.627 ( -0.000 -13.619 0.000) 13.619 10.857 ( -0.000 4.103 0.000) 4.103 11.614 ( -0.000 12.653 0.000) 12.653 12.364 ( 0.000 -4.923 -0.000) 4.923 12.499 ( -0.000 7.691 0.000) 7.691 13.531 ( 0.000 -5.982 0.000) 5.982 13.636 ( -0.000 -1.867 -0.000) 1.867 16.774 ( -0.000 23.232 0.000) 23.232 17.342 ( -0.000 6.781 0.000) 6.781 21.384 ( -0.000 -19.100 0.000) 19.100 21.787 ( -0.000 -16.294 0.000) 16.294 22.384 ( -0.000 8.197 -0.000) 8.197 23.350 ( -0.000 13.864 0.000) 13.864 24.238 ( -0.000 6.635 0.000) 6.635 24.394 ( -0.000 8.404 0.000) 8.404 105.178 ( -0.000 -0.164 0.000) 0.164 105.463 ( -0.000 -0.973 0.000) 0.973 106.246 ( -0.000 -3.673 0.000) 3.673 106.451 ( -0.000 -3.810 0.000) 3.810 ======================= Grid point 515 (243/272) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.000 18.615 0.000) 18.615 1.955 ( 0.000 -5.911 0.000) 5.911 2.133 ( -0.000 33.510 -0.000) 33.510 3.024 ( 0.000 3.196 0.000) 3.196 3.465 ( 0.000 3.608 0.000) 3.608 3.502 ( 0.000 22.273 0.000) 22.273 4.240 ( 0.000 6.231 0.000) 6.231 4.286 ( -0.000 14.246 0.000) 14.246 4.339 ( -0.000 16.334 0.000) 16.334 4.847 ( 0.000 -6.549 0.000) 6.549 5.817 ( 0.000 -20.693 0.000) 20.693 5.837 ( -0.000 -6.643 0.000) 6.643 8.772 ( -0.000 0.742 0.000) 0.742 8.829 ( 0.000 -3.552 0.000) 3.552 9.336 ( -0.000 -12.597 0.000) 12.597 9.603 ( 0.000 13.283 0.000) 13.283 9.822 ( -0.000 23.531 0.000) 23.531 10.232 ( 0.000 -9.392 0.000) 9.392 11.189 ( -0.000 9.348 0.000) 9.348 11.438 ( 0.000 3.398 0.000) 3.398 12.213 ( 0.000 -3.650 0.000) 3.650 12.325 ( -0.000 -7.567 0.000) 7.567 13.182 ( -0.000 -1.816 0.000) 1.816 13.953 ( 0.000 -12.350 0.000) 12.350 16.967 ( 0.000 12.509 0.000) 12.509 18.566 ( -0.000 45.165 0.000) 45.165 20.881 ( -0.000 -15.635 0.000) 15.635 21.232 ( 0.000 -9.952 0.000) 9.952 22.482 ( 0.000 6.458 0.000) 6.458 22.839 ( 0.000 24.539 0.000) 24.539 24.335 ( -0.000 3.171 0.000) 3.171 24.854 ( 0.000 0.172 0.000) 0.172 105.253 ( 0.000 -0.175 0.000) 0.175 105.263 ( -0.000 -0.795 0.000) 0.795 106.113 ( 0.000 -5.463 0.000) 5.463 106.643 ( -0.000 -12.955 0.000) 12.955 ======================= Grid point 517 (244/272) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 5.837 14.981 2.766) 16.315 1.936 ( 0.801 -1.612 -5.065) 5.376 2.309 ( 13.165 28.797 2.401) 31.754 3.054 ( 3.298 3.291 0.475) 4.683 3.435 ( -1.460 9.516 -2.612) 9.976 3.500 ( -1.126 15.611 0.052) 15.652 4.164 ( -5.166 6.063 -0.659) 7.993 4.247 ( -3.822 14.543 0.991) 15.070 4.398 ( 4.276 16.023 -1.714) 16.672 4.808 ( -3.802 -5.699 -0.827) 6.900 5.634 ( -9.463 -10.228 -1.755) 14.044 5.950 ( 2.398 -13.949 3.831) 14.663 8.499 ( -14.397 4.558 3.313) 15.461 8.984 ( -0.687 -7.895 -0.871) 7.972 9.291 ( 1.854 -10.111 -0.161) 10.281 9.572 ( -2.592 9.864 -0.960) 10.244 9.840 ( 3.534 7.516 -1.434) 8.428 10.474 ( 16.086 4.802 0.450) 16.794 11.200 ( 0.824 8.565 -1.879) 8.807 11.371 ( -2.989 -0.223 0.847) 3.114 12.169 ( -2.474 -4.730 -1.431) 5.526 12.422 ( 6.423 -2.886 2.696) 7.540 13.184 ( 0.324 -1.875 0.186) 1.912 13.924 ( -2.389 -11.145 -1.786) 11.537 16.995 ( 1.243 12.869 5.756) 14.152 18.428 ( -11.860 42.706 -2.763) 44.408 20.904 ( 1.812 -15.583 -0.167) 15.689 21.265 ( 2.962 -12.676 0.837) 13.045 22.487 ( 0.653 6.303 -0.698) 6.375 22.952 ( 10.681 23.580 -0.795) 25.898 24.350 ( 1.138 5.063 1.243) 5.336 24.828 ( -2.421 1.463 -0.357) 2.852 105.211 ( -1.685 -0.143 -0.247) 1.709 105.319 ( 2.711 -0.996 1.571) 3.288 106.113 ( 0.058 -5.353 -0.014) 5.353 106.602 ( -3.807 -12.098 -0.193) 12.685 ======================= Grid point 518 (245/272) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 9.628 6.641 3.025) 12.081 1.977 ( 7.659 5.222 -4.362) 10.245 2.561 ( 7.693 20.133 3.799) 21.885 3.194 ( 10.351 6.655 -0.450) 12.314 3.389 ( -2.088 18.506 -1.696) 18.701 3.446 ( -2.363 4.782 -2.912) 6.077 4.050 ( -4.950 0.859 -2.803) 5.753 4.167 ( -4.235 16.930 2.894) 17.690 4.469 ( 3.384 17.378 -1.575) 17.775 4.678 ( -8.433 -2.790 -1.555) 9.017 5.449 ( -7.439 -6.005 -1.238) 9.640 5.968 ( -2.248 -11.246 3.513) 11.995 8.279 ( -8.587 4.103 2.771) 9.912 8.852 ( -7.813 -9.248 -0.567) 12.120 9.369 ( 2.293 -7.305 -0.651) 7.684 9.515 ( -1.896 3.959 -0.738) 4.451 9.972 ( 9.823 -2.230 -0.711) 10.098 10.632 ( -1.896 7.265 0.062) 7.509 11.114 ( -5.739 5.265 -2.454) 8.166 11.550 ( 16.996 1.120 1.438) 17.093 12.116 ( -1.659 -4.139 -1.087) 4.590 12.566 ( 5.595 2.999 2.982) 7.014 13.207 ( 1.845 -2.948 1.096) 3.646 13.836 ( -4.845 -8.472 -3.083) 10.235 17.079 ( 2.951 14.711 9.405) 17.708 18.109 ( -15.760 36.305 -6.441) 40.099 20.936 ( 0.845 -17.317 1.371) 17.392 21.347 ( 4.392 -16.145 -0.606) 16.743 22.497 ( 0.650 5.512 -1.014) 5.642 23.218 ( 14.221 19.273 0.423) 23.956 24.393 ( 2.084 9.753 1.935) 10.159 24.758 ( -3.945 5.322 -0.768) 6.669 105.186 ( -0.822 -0.059 0.134) 0.834 105.379 ( 2.164 -1.433 1.670) 3.086 106.118 ( 0.502 -5.233 0.000) 5.257 106.501 ( -5.473 -9.980 -0.582) 11.397 ======================= Grid point 519 (246/272) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 4.152 5.680 -0.440) 7.050 2.205 ( 11.483 6.129 0.267) 13.019 2.682 ( 5.271 14.674 3.818) 16.053 3.191 ( -10.708 20.921 -0.968) 23.522 3.378 ( 0.787 -2.064 -3.799) 4.395 3.564 ( 14.608 8.822 -1.268) 17.112 3.955 ( -2.107 -2.775 -0.265) 3.494 4.124 ( -1.287 16.891 1.650) 17.020 4.445 ( -12.225 3.302 -2.236) 12.859 4.520 ( 1.269 18.195 -0.544) 18.247 5.331 ( -3.606 -3.738 -0.883) 5.269 5.922 ( -3.084 -7.444 2.042) 8.312 8.176 ( -3.141 0.741 1.637) 3.619 8.718 ( -4.729 -8.792 -0.593) 10.001 9.379 ( 0.463 1.222 -0.732) 1.497 9.481 ( -1.734 -5.349 -0.115) 5.624 10.189 ( 10.315 -7.392 0.312) 12.693 10.510 ( -7.327 2.192 0.047) 7.648 10.998 ( -4.274 3.935 -2.224) 6.221 11.836 ( 6.708 10.342 0.749) 12.350 12.139 ( 5.424 -8.285 -0.585) 9.920 12.668 ( 2.909 8.803 2.259) 9.542 13.280 ( 4.263 -6.308 2.525) 8.021 13.699 ( -6.453 -5.513 -3.631) 9.231 17.220 ( 5.543 19.882 10.621) 23.213 17.761 ( -13.529 26.846 -9.167) 31.429 20.954 ( 0.267 -19.854 1.363) 19.903 21.418 ( 2.739 -17.237 -0.955) 17.479 22.501 ( 0.269 4.192 -0.713) 4.261 23.479 ( 9.848 12.099 1.164) 15.644 24.446 ( 1.824 14.503 1.556) 14.699 24.673 ( -3.482 11.009 -0.868) 11.579 105.177 ( -0.254 -0.095 0.171) 0.320 105.421 ( 1.127 -1.678 1.054) 2.280 106.134 ( 0.963 -5.459 0.060) 5.543 106.393 ( -4.229 -7.691 -0.630) 8.800 ======================= Grid point 520 (247/272) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -0.000 7.711 0.000) 7.711 2.316 ( -0.000 3.302 0.000) 3.302 2.887 ( 0.000 16.575 0.000) 16.575 2.936 ( -0.000 19.256 0.000) 19.256 3.373 ( -0.000 -1.992 0.000) 1.992 3.730 ( -0.000 -1.904 0.000) 1.904 3.994 ( -0.000 5.258 0.000) 5.258 4.144 ( -0.000 4.732 0.000) 4.732 4.211 ( -0.000 16.022 0.000) 16.022 4.535 ( -0.000 19.411 0.000) 19.411 5.292 ( -0.000 -3.125 0.000) 3.125 5.892 ( -0.000 -5.756 0.000) 5.756 8.152 ( -0.000 -0.970 0.000) 0.970 8.666 ( -0.000 -8.259 0.000) 8.259 9.390 ( -0.000 8.509 0.000) 8.509 9.452 ( -0.000 -12.795 0.000) 12.795 10.334 ( -0.000 -14.590 0.000) 14.590 10.402 ( -0.000 5.308 0.000) 5.308 10.940 ( -0.000 3.895 0.000) 3.895 11.881 ( -0.000 12.704 0.000) 12.704 12.223 ( -0.000 -8.787 0.000) 8.787 12.704 ( -0.000 11.653 0.000) 11.653 13.361 ( -0.000 -10.488 0.000) 10.488 13.592 ( -0.000 -2.209 -0.000) 2.209 17.377 ( -0.000 34.221 0.000) 34.221 17.524 ( -0.000 10.751 0.000) 10.751 20.961 ( -0.000 -20.894 0.000) 20.894 21.443 ( -0.000 -17.303 0.000) 17.303 22.502 ( -0.000 3.509 0.000) 3.509 23.589 ( -0.000 7.937 0.000) 7.937 24.471 ( -0.000 16.376 0.000) 16.376 24.630 ( -0.000 14.472 0.000) 14.472 105.175 ( -0.000 -0.127 0.000) 0.127 105.435 ( -0.000 -1.741 0.000) 1.741 106.147 ( -0.000 -5.814 0.000) 5.814 106.344 ( -0.000 -6.540 0.000) 6.540 ======================= Grid point 525 (248/272) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 0.000 1.688 0.000) 1.688 2.011 ( -0.000 15.769 0.000) 15.769 2.708 ( 0.000 21.141 0.000) 21.141 3.094 ( 0.000 3.995 0.000) 3.995 3.617 ( 0.000 12.709 0.000) 12.709 3.906 ( 0.000 15.049 0.000) 15.049 4.304 ( 0.000 6.977 0.000) 6.977 4.623 ( 0.000 3.912 0.000) 3.912 4.679 ( -0.000 19.060 0.000) 19.060 4.784 ( -0.000 7.338 0.000) 7.338 5.468 ( -0.000 -14.223 0.000) 14.223 5.695 ( -0.000 -7.138 0.000) 7.138 8.657 ( -0.000 -11.143 0.000) 11.143 8.719 ( 0.000 -7.720 0.000) 7.720 9.144 ( 0.000 -3.743 0.000) 3.743 9.797 ( 0.000 8.083 0.000) 8.083 10.100 ( 0.000 -3.690 0.000) 3.690 10.285 ( -0.000 17.141 0.000) 17.141 11.345 ( -0.000 5.557 0.000) 5.557 11.542 ( -0.000 5.953 0.000) 5.953 12.152 ( 0.000 -1.882 0.000) 1.882 12.183 ( -0.000 -5.058 -0.000) 5.058 13.137 ( -0.000 -2.588 0.000) 2.588 13.744 ( 0.000 -8.538 0.000) 8.538 17.210 ( 0.000 11.656 0.000) 11.656 19.301 ( -0.000 24.144 0.000) 24.144 20.628 ( 0.000 -9.405 0.000) 9.405 21.131 ( 0.000 1.216 0.000) 1.216 22.555 ( 0.000 1.566 0.000) 1.566 23.292 ( 0.000 19.775 0.000) 19.775 24.456 ( -0.000 8.730 0.000) 8.730 24.861 ( 0.000 0.646 0.000) 0.646 105.249 ( 0.000 -0.527 0.000) 0.527 105.250 ( -0.000 -0.104 -0.000) 0.104 106.003 ( 0.000 -5.205 0.000) 5.205 106.373 ( -0.000 -13.279 0.000) 13.279 ======================= Grid point 527 (249/272) ======================= q-point: ( 0.12 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 1.308 2.889 2.984) 4.354 2.030 ( 3.290 14.322 -1.365) 14.759 2.794 ( 4.974 15.290 1.651) 16.164 3.140 ( 5.750 5.972 -0.729) 8.322 3.616 ( 0.987 14.101 -2.982) 14.447 3.874 ( -3.158 14.434 0.072) 14.776 4.239 ( -5.416 6.384 -3.207) 8.966 4.547 ( -5.840 6.423 2.539) 9.045 4.729 ( 2.864 13.699 -1.049) 14.035 4.791 ( 0.687 11.412 0.335) 11.437 5.416 ( -4.057 -10.515 -0.932) 11.309 5.722 ( 1.418 -9.193 2.085) 9.533 8.477 ( -9.611 -6.561 1.522) 11.737 8.873 ( 2.626 -4.943 0.681) 5.639 9.056 ( -3.946 -8.475 0.832) 9.385 9.758 ( -2.939 7.227 -1.052) 7.873 9.900 ( -6.435 1.231 -0.965) 6.622 10.678 ( 22.031 10.542 -0.311) 24.426 11.322 ( -1.614 3.298 -0.450) 3.699 11.400 ( -10.388 3.495 0.427) 10.968 12.049 ( -1.517 -7.319 -2.452) 7.866 12.421 ( 12.762 3.528 2.292) 13.437 13.135 ( -0.336 -3.050 0.307) 3.084 13.732 ( -0.967 -7.856 -1.054) 7.985 17.246 ( 2.166 12.092 5.336) 13.393 19.152 ( -12.726 25.845 -3.747) 29.051 20.659 ( 2.321 -8.961 -1.179) 9.331 21.083 ( -4.084 -4.097 2.062) 6.141 22.557 ( 0.193 1.428 -0.190) 1.454 23.375 ( 7.380 17.646 -0.995) 19.152 24.508 ( 4.489 10.424 2.055) 11.534 24.870 ( 1.016 2.926 -0.284) 3.110 105.210 ( -1.499 0.064 -0.169) 1.510 105.299 ( 2.325 -0.935 0.840) 2.643 106.005 ( 0.156 -5.213 -0.135) 5.217 106.348 ( -2.251 -12.528 -0.188) 12.730 ======================= Grid point 528 (250/272) ======================= q-point: ( 0.25 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 5.627 3.091 3.559) 7.341 2.155 ( 9.373 12.453 -0.516) 15.595 2.843 ( -0.635 6.391 2.755) 6.989 3.301 ( 7.979 3.906 -3.098) 9.409 3.655 ( 5.333 18.699 -3.174) 19.702 3.790 ( -4.679 15.860 0.228) 16.537 4.055 ( -9.808 1.290 -4.198) 10.747 4.450 ( -4.758 7.777 2.714) 9.512 4.728 ( -2.567 11.726 -0.195) 12.005 4.837 ( 3.422 17.389 -0.389) 17.727 5.323 ( -4.058 -6.155 -1.195) 7.468 5.755 ( 0.356 -9.536 2.595) 9.889 8.313 ( -7.473 -1.848 1.854) 7.918 8.733 ( -9.946 -0.999 1.071) 10.054 9.123 ( 4.591 -13.642 0.021) 14.394 9.680 ( -3.594 8.870 -1.791) 9.737 9.874 ( 3.346 -5.538 0.191) 6.473 10.841 ( -7.985 11.408 -0.269) 13.927 11.174 ( -6.203 1.072 -1.532) 6.478 11.529 ( 18.946 -3.604 1.166) 19.321 12.030 ( 0.079 -4.486 -1.659) 4.783 12.674 ( 10.476 7.159 1.292) 12.754 13.130 ( -0.387 -4.427 1.290) 4.628 13.689 ( -2.603 -5.878 -1.884) 6.699 17.360 ( 5.187 13.437 9.309) 17.150 18.791 ( -18.442 28.565 -7.902) 34.907 20.662 ( -2.203 -9.581 0.955) 9.877 21.047 ( 0.530 -12.982 0.158) 12.993 22.556 ( -0.177 1.198 -0.334) 1.256 23.528 ( 7.017 10.948 -0.454) 13.012 24.646 ( 7.013 14.738 2.992) 16.594 24.898 ( 1.925 8.622 -0.567) 8.852 105.187 ( -0.791 0.170 0.033) 0.810 105.348 ( 1.902 -1.593 0.888) 2.635 106.009 ( 0.415 -5.343 -0.212) 5.364 106.288 ( -3.240 -10.660 -0.310) 11.146 ======================= Grid point 529 (251/272) ======================= q-point: ( 0.38 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 6.620 4.793 1.636) 8.335 2.352 ( 7.064 8.641 1.616) 11.278 2.880 ( 5.623 3.849 2.432) 7.235 3.358 ( 0.569 0.373 -3.608) 3.672 3.564 ( -14.156 13.038 -3.296) 19.525 3.787 ( 0.461 8.788 -2.848) 9.250 3.973 ( 7.373 10.264 2.251) 12.836 4.373 ( -4.327 8.606 0.627) 9.653 4.649 ( -4.353 16.847 -0.132) 17.401 4.898 ( 2.420 17.888 -0.219) 18.053 5.251 ( -2.253 -3.907 -0.959) 4.611 5.765 ( -0.430 -7.719 1.772) 7.932 8.197 ( -4.477 0.927 1.180) 4.722 8.582 ( -5.031 -3.595 0.396) 6.196 9.181 ( 1.584 -12.397 -0.153) 12.499 9.613 ( -1.997 9.962 -1.177) 10.228 9.984 ( 5.546 -11.036 0.842) 12.379 10.607 ( -10.671 5.268 0.079) 11.901 11.070 ( -3.538 3.876 -1.616) 5.491 11.906 ( 12.312 -9.795 0.955) 15.762 12.040 ( 3.406 4.415 -0.978) 5.661 12.836 ( 4.607 4.623 0.025) 6.527 13.146 ( 1.198 -4.339 2.329) 5.068 13.610 ( -3.622 -2.962 -2.015) 5.094 17.560 ( 8.885 15.020 11.038) 20.649 18.363 ( -17.624 29.678 -10.464) 36.067 20.611 ( -2.670 -13.667 1.567) 14.013 21.081 ( 2.046 -15.994 -0.868) 16.147 22.548 ( -0.406 1.080 -0.265) 1.183 23.633 ( 3.317 3.455 0.166) 4.793 24.793 ( 5.210 18.807 2.185) 19.638 24.935 ( 1.686 14.386 -0.541) 14.495 105.177 ( -0.287 0.121 0.066) 0.319 105.383 ( 1.032 -2.058 0.563) 2.370 106.018 ( 0.541 -5.743 -0.171) 5.771 106.226 ( -2.437 -8.616 -0.234) 8.957 ======================= Grid point 530 (252/272) ======================= q-point: ( 0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.000 6.549 0.000) 6.549 2.412 ( -0.000 5.865 0.000) 5.865 3.081 ( -0.000 0.855 0.000) 0.855 3.254 ( -0.000 10.384 0.000) 10.384 3.360 ( -0.000 1.249 0.000) 1.249 3.775 ( -0.000 6.894 -0.000) 6.894 4.133 ( -0.000 10.858 0.000) 10.858 4.291 ( -0.000 10.525 0.000) 10.525 4.595 ( -0.000 19.842 0.000) 19.842 4.924 ( -0.000 18.127 0.000) 18.127 5.225 ( -0.000 -3.314 0.000) 3.314 5.764 ( -0.000 -6.624 0.000) 6.624 8.153 ( -0.000 1.249 0.000) 1.249 8.533 ( -0.000 -4.256 0.000) 4.256 9.197 ( -0.000 -12.284 0.000) 12.284 9.589 ( -0.000 10.953 0.000) 10.953 10.052 ( -0.000 -13.379 0.000) 13.379 10.490 ( -0.000 3.091 0.000) 3.091 11.025 ( -0.000 5.141 0.000) 5.141 11.980 ( -0.000 -9.735 0.000) 9.735 12.138 ( -0.000 6.859 0.000) 6.859 12.874 ( -0.000 -0.692 0.000) 0.692 13.178 ( -0.000 -2.304 0.000) 2.304 13.557 ( -0.000 -1.053 0.000) 1.053 17.760 ( -0.000 12.383 0.000) 12.383 18.072 ( -0.000 33.093 0.000) 33.093 20.587 ( -0.000 -15.618 0.000) 15.618 21.101 ( -0.000 -16.436 0.000) 16.436 22.542 ( -0.000 1.057 0.000) 1.057 23.666 ( -0.000 0.390 0.000) 0.390 24.855 ( -0.000 20.316 -0.000) 20.316 24.952 ( -0.000 16.730 0.000) 16.730 105.174 ( -0.000 0.080 0.000) 0.080 105.395 ( -0.000 -2.219 0.000) 2.219 106.025 ( -0.000 -6.075 0.000) 6.075 106.198 ( -0.000 -7.632 0.000) 7.632 ======================= Grid point 535 (253/272) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 0.936 0.000) 0.936 2.408 ( -0.000 20.887 0.000) 20.887 2.903 ( 0.000 -0.819 0.000) 0.819 3.241 ( 0.000 10.728 0.000) 10.728 3.967 ( 0.000 19.836 -0.000) 19.836 4.050 ( -0.000 1.526 0.000) 1.526 4.528 ( -0.000 -7.783 -0.000) 7.783 4.565 ( 0.000 16.041 0.000) 16.041 5.016 ( 0.000 13.771 0.000) 13.771 5.072 ( -0.000 14.713 0.000) 14.713 5.245 ( -0.000 -7.390 0.000) 7.390 5.563 ( -0.000 -5.559 0.000) 5.559 8.424 ( -0.000 -11.288 0.000) 11.288 8.492 ( 0.000 -12.595 0.000) 12.595 9.184 ( 0.000 5.981 0.000) 5.981 9.940 ( 0.000 5.826 0.000) 5.826 10.078 ( -0.000 1.250 0.000) 1.250 10.484 ( -0.000 3.801 0.000) 3.801 11.393 ( -0.000 -0.817 0.000) 0.817 11.581 ( 0.000 -3.689 0.000) 3.689 12.159 ( 0.000 2.752 0.000) 2.752 12.200 ( -0.000 7.206 0.000) 7.206 13.081 ( -0.000 -2.852 0.000) 2.852 13.596 ( 0.000 -6.493 0.000) 6.493 17.452 ( -0.000 12.864 0.000) 12.864 19.494 ( 0.000 -3.068 0.000) 3.068 20.502 ( 0.000 -3.092 0.000) 3.092 21.241 ( 0.000 5.855 0.000) 5.855 22.612 ( 0.000 6.079 0.000) 6.079 23.609 ( 0.000 11.027 0.000) 11.027 24.668 ( -0.000 11.629 0.000) 11.629 24.893 ( -0.000 2.904 0.000) 2.904 105.242 ( 0.000 -0.205 0.000) 0.205 105.248 ( -0.000 -0.019 0.000) 0.019 105.907 ( 0.000 -4.259 0.000) 4.259 106.125 ( 0.000 -11.016 0.000) 11.016 ======================= Grid point 537 (254/272) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 3.068 1.254 2.100) 3.924 2.396 ( 0.076 19.726 -0.077) 19.726 2.896 ( -1.094 -2.560 -0.190) 2.790 3.304 ( 5.405 9.348 -1.155) 10.860 3.989 ( 2.185 19.119 -0.427) 19.248 4.017 ( -2.509 2.524 -1.340) 3.803 4.374 ( -10.089 0.447 -2.209) 10.338 4.613 ( 0.494 9.662 2.317) 9.948 5.027 ( 0.799 13.851 -0.027) 13.874 5.098 ( 2.505 14.402 -0.527) 14.628 5.241 ( -0.429 -6.030 -0.617) 6.077 5.569 ( 0.255 -5.929 1.726) 6.181 8.302 ( -5.593 -9.128 0.243) 10.708 8.662 ( 9.474 -13.116 1.006) 16.211 9.073 ( -10.748 6.557 1.926) 12.737 9.813 ( -7.962 -0.373 0.436) 7.982 10.000 ( -4.364 7.673 -1.348) 8.930 10.788 ( 21.813 0.428 -0.894) 21.836 11.326 ( -6.391 -2.461 1.210) 6.954 11.516 ( -9.266 6.277 0.507) 11.203 11.895 ( -4.682 -6.349 -2.593) 8.304 12.547 ( 16.247 7.470 -0.211) 17.883 13.068 ( -1.151 -3.134 0.503) 3.377 13.601 ( 0.412 -5.375 -0.134) 5.392 17.498 ( 3.341 13.325 4.390) 14.421 19.413 ( -6.917 0.991 -3.241) 7.703 20.523 ( 2.158 -4.654 -2.053) 5.526 21.101 ( -12.603 3.398 1.537) 13.144 22.603 ( -0.797 4.818 0.438) 4.903 23.638 ( 2.087 8.025 -0.759) 8.326 24.748 ( 7.128 12.663 2.352) 14.720 24.956 ( 5.875 5.749 -0.453) 8.233 105.214 ( -1.265 0.279 -0.131) 1.302 105.282 ( 1.739 -0.779 0.289) 1.927 105.908 ( 0.065 -4.319 -0.143) 4.322 106.113 ( -1.076 -10.484 -0.018) 10.539 ======================= Grid point 538 (255/272) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 6.226 1.408 3.592) 7.324 2.448 ( 4.837 15.882 0.744) 16.619 2.856 ( -1.928 -3.916 -1.090) 4.499 3.390 ( 3.239 5.493 -3.054) 7.070 3.932 ( -5.814 -0.573 -3.359) 6.739 3.991 ( -6.195 7.268 0.564) 9.567 4.212 ( 0.904 17.350 0.109) 17.374 4.613 ( -1.258 11.136 1.596) 11.319 5.031 ( -0.687 14.735 -0.258) 14.753 5.157 ( 3.389 13.384 -0.981) 13.841 5.217 ( -1.426 -3.414 -0.600) 3.748 5.595 ( 1.060 -6.086 2.282) 6.586 8.226 ( -2.290 -5.076 0.750) 5.619 8.789 ( -6.635 0.918 2.146) 7.034 8.870 ( -0.005 -6.894 0.455) 6.909 9.716 ( -1.893 -5.355 0.915) 5.753 9.909 ( -3.319 9.068 -1.499) 9.772 11.016 ( -13.860 3.579 1.337) 14.376 11.194 ( 2.542 1.643 -1.972) 3.613 11.438 ( 8.427 -2.826 1.449) 9.006 11.915 ( 5.475 -7.210 -2.651) 9.433 12.778 ( 4.700 -0.186 -1.221) 4.859 13.080 ( 3.735 2.126 1.486) 4.547 13.603 ( -0.258 -2.692 -0.289) 2.720 17.637 ( 7.016 14.403 7.836) 17.835 19.188 ( -12.101 10.146 -7.248) 17.376 20.527 ( -2.481 -5.054 -1.238) 5.765 20.852 ( -9.341 -5.816 1.243) 11.074 22.588 ( -0.860 3.101 0.439) 3.248 23.654 ( -0.220 1.835 -0.448) 1.902 24.956 ( 10.592 15.260 3.262) 18.860 25.098 ( 7.686 10.784 -0.813) 13.267 105.193 ( -0.760 0.401 -0.070) 0.862 105.316 ( 1.395 -1.558 0.277) 2.110 105.909 ( 0.135 -4.518 -0.231) 4.526 106.085 ( -1.504 -9.165 0.002) 9.288 ======================= Grid point 539 (256/272) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 7.728 1.152 3.186) 8.438 2.535 ( 0.597 8.008 1.537) 8.176 2.871 ( 6.308 -2.539 -1.597) 6.985 3.401 ( -0.168 3.923 -2.525) 4.668 3.643 ( -15.801 -1.806 -4.494) 16.527 3.923 ( -1.896 5.071 2.285) 5.876 4.339 ( 7.181 20.700 0.828) 21.926 4.591 ( -1.311 13.412 0.560) 13.487 4.996 ( -2.209 15.722 -0.262) 15.878 5.180 ( -0.800 -2.458 -1.581) 3.030 5.220 ( 2.104 13.370 0.303) 13.538 5.627 ( 0.876 -5.472 1.546) 5.753 8.204 ( -0.508 0.148 0.486) 0.718 8.592 ( -8.352 4.146 1.391) 9.427 8.941 ( 2.578 -11.142 -0.238) 11.439 9.729 ( 1.904 -7.659 0.845) 7.937 9.862 ( -0.729 8.110 -0.544) 8.161 10.681 ( -14.517 1.826 0.589) 14.643 11.181 ( -1.373 7.348 -1.202) 7.572 11.670 ( 7.493 -11.980 1.155) 14.178 12.078 ( 11.644 -2.192 -1.975) 12.012 12.732 ( -6.262 -11.752 -0.489) 13.325 13.221 ( 7.047 8.863 0.930) 11.361 13.583 ( -1.526 0.114 -0.339) 1.567 17.858 ( 9.446 14.882 8.801) 19.702 18.869 ( -13.537 19.173 -9.010) 25.140 20.408 ( -6.578 -6.649 1.092) 9.416 20.781 ( 0.120 -13.410 -0.643) 13.426 22.575 ( -0.629 2.308 0.238) 2.404 23.636 ( -1.053 -2.787 -0.015) 2.979 25.163 ( 7.126 17.168 2.791) 18.796 25.230 ( 5.246 14.412 -1.173) 15.382 105.182 ( -0.327 0.363 -0.031) 0.490 105.340 ( 0.749 -2.170 0.164) 2.301 105.910 ( 0.136 -4.824 -0.190) 4.829 106.058 ( -1.060 -7.770 0.030) 7.842 ======================= Grid point 540 (257/272) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -0.000 1.675 0.000) 1.675 2.516 ( -0.000 2.569 0.000) 2.569 3.010 ( -0.000 -3.829 0.000) 3.829 3.354 ( -0.000 2.161 0.000) 2.161 3.433 ( -0.000 4.574 0.000) 4.574 3.912 ( -0.000 4.588 -0.000) 4.588 4.428 ( -0.000 16.893 0.000) 16.893 4.575 ( -0.000 16.688 0.000) 16.688 4.966 ( -0.000 16.148 0.000) 16.148 5.166 ( -0.000 -2.359 0.000) 2.359 5.245 ( -0.000 13.521 0.000) 13.521 5.641 ( -0.000 -5.061 0.000) 5.061 8.202 ( 0.000 3.426 0.000) 3.426 8.507 ( -0.000 1.753 0.000) 1.753 8.965 ( -0.000 -10.539 0.000) 10.539 9.760 ( -0.000 -7.021 0.000) 7.021 9.858 ( -0.000 6.940 0.000) 6.940 10.521 ( -0.000 0.188 0.000) 0.188 11.161 ( -0.000 8.316 0.000) 8.316 11.738 ( -0.000 -12.462 0.000) 12.462 12.243 ( -0.000 2.026 0.000) 2.026 12.627 ( -0.000 -18.224 0.000) 18.224 13.308 ( -0.000 9.669 0.000) 9.669 13.558 ( -0.000 1.252 0.000) 1.252 18.021 ( -0.000 13.515 0.000) 13.515 18.659 ( -0.000 24.121 0.000) 24.121 20.340 ( -0.000 -8.953 0.000) 8.953 20.786 ( -0.000 -14.581 0.000) 14.581 22.568 ( -0.000 2.133 0.000) 2.133 23.624 ( -0.000 -4.371 0.000) 4.371 25.247 ( -0.000 17.915 -0.000) 17.915 25.282 ( -0.000 15.527 0.000) 15.527 105.178 ( -0.000 0.328 0.000) 0.328 105.348 ( -0.000 -2.400 0.000) 2.400 105.911 ( -0.000 -4.997 0.000) 4.997 106.047 ( -0.000 -7.155 0.000) 7.155 ======================= Grid point 545 (258/272) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.000 6.320 0.000) 6.320 2.783 ( 0.000 -9.717 0.000) 9.717 2.824 ( 0.000 20.253 0.000) 20.253 3.468 ( 0.000 11.137 0.000) 11.137 4.042 ( 0.000 -1.796 0.000) 1.796 4.206 ( 0.000 -5.806 0.000) 5.806 4.479 ( -0.000 11.834 0.000) 11.834 4.856 ( 0.000 11.872 0.000) 11.872 5.134 ( -0.000 -2.079 0.000) 2.079 5.202 ( 0.000 3.731 0.000) 3.731 5.354 ( -0.000 10.866 0.000) 10.866 5.499 ( -0.000 0.063 0.000) 0.063 8.221 ( -0.000 -8.471 0.000) 8.471 8.262 ( 0.000 -9.635 0.000) 9.635 9.346 ( 0.000 9.683 0.000) 9.683 10.012 ( 0.000 0.736 0.000) 0.736 10.139 ( -0.000 4.488 0.000) 4.488 10.494 ( -0.000 -1.713 0.000) 1.713 11.334 ( -0.000 -4.198 0.000) 4.198 11.442 ( 0.000 -8.214 0.000) 8.214 12.251 ( 0.000 5.799 0.000) 5.799 12.387 ( -0.000 8.922 0.000) 8.922 13.037 ( -0.000 -0.978 0.000) 0.978 13.470 ( 0.000 -6.242 0.000) 6.242 17.743 ( -0.000 16.178 0.000) 16.178 19.287 ( -0.000 -15.380 0.000) 15.380 20.501 ( -0.000 2.888 0.000) 2.888 21.246 ( 0.000 -5.718 0.000) 5.718 22.834 ( -0.000 15.052 0.000) 15.052 23.724 ( 0.000 0.546 0.000) 0.546 24.896 ( -0.000 10.355 0.000) 10.355 24.981 ( -0.000 5.443 0.000) 5.443 105.240 ( 0.000 -0.032 0.000) 0.032 105.248 ( -0.000 -0.042 0.000) 0.042 105.833 ( 0.000 -3.051 0.000) 3.051 105.937 ( 0.000 -7.527 0.000) 7.527 ======================= Grid point 547 (259/272) ======================= q-point: ( 0.12 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 2.719 5.390 0.503) 6.058 2.760 ( -2.273 -8.562 -1.169) 8.935 2.796 ( -1.075 18.176 -1.160) 18.244 3.498 ( 2.356 9.785 -0.733) 10.091 4.010 ( -3.141 -2.258 -1.229) 4.059 4.132 ( -7.001 -7.716 0.599) 10.436 4.504 ( 3.007 16.545 0.529) 16.824 4.858 ( -0.327 11.236 1.083) 11.292 5.146 ( 1.236 -2.045 -1.661) 2.910 5.217 ( 1.839 3.871 -1.741) 4.625 5.372 ( 1.323 10.824 1.236) 10.974 5.505 ( 0.111 0.439 2.415) 2.457 8.147 ( -2.082 -5.734 -0.055) 6.101 8.413 ( 8.937 -11.099 1.205) 14.301 9.240 ( -10.508 9.443 1.970) 14.265 9.792 ( -12.582 -1.666 0.719) 12.712 10.158 ( -1.636 7.748 -0.594) 7.941 10.732 ( 17.950 -5.130 -0.761) 18.684 11.259 ( -6.201 -3.416 1.800) 7.305 11.517 ( 5.085 -6.553 -1.209) 8.382 11.909 ( -17.568 8.008 -0.997) 19.333 12.641 ( 9.160 -0.034 -1.481) 9.279 13.050 ( 3.281 2.616 0.399) 4.215 13.505 ( 2.893 -4.398 0.350) 5.276 17.796 ( 4.309 16.418 3.278) 17.287 19.276 ( -0.748 -12.709 -1.961) 12.881 20.484 ( -1.134 1.023 -1.506) 2.144 21.104 ( -13.170 -4.247 0.207) 13.839 22.787 ( -3.871 13.022 0.353) 13.590 23.697 ( -2.761 -1.717 -0.234) 3.259 24.992 ( 8.893 10.996 1.944) 14.275 25.092 ( 9.673 7.093 -0.667) 12.014 105.221 ( -0.987 0.391 -0.142) 1.071 105.267 ( 1.053 -0.707 -0.033) 1.269 105.832 ( -0.052 -3.087 -0.098) 3.089 105.933 ( -0.316 -7.220 0.096) 7.227 ======================= Grid point 548 (260/272) ======================= q-point: ( 0.25 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 4.959 2.877 1.692) 5.978 2.675 ( -4.996 -6.056 -1.837) 8.063 2.813 ( 3.843 12.496 -1.889) 13.210 3.526 ( 0.772 7.844 -1.637) 8.050 3.848 ( -11.352 -7.092 -3.930) 13.951 4.015 ( -4.483 -1.619 3.521) 5.926 4.609 ( 6.217 18.841 1.076) 19.870 4.853 ( -0.615 10.939 1.394) 11.044 5.152 ( 0.110 -1.883 -1.770) 2.586 5.242 ( 1.365 4.983 -2.651) 5.807 5.413 ( 1.814 10.515 1.247) 10.743 5.534 ( 1.096 0.807 3.116) 3.400 8.152 ( 2.151 -1.834 0.633) 2.897 8.595 ( 7.776 -10.993 0.662) 13.481 8.988 ( -13.948 8.960 2.048) 16.703 9.598 ( -6.855 -6.039 1.148) 9.207 10.106 ( -2.321 10.118 -0.506) 10.393 10.963 ( -6.760 -7.540 3.204) 10.621 11.186 ( 7.487 -1.308 -1.847) 7.821 11.518 ( -5.150 7.763 0.077) 9.316 11.754 ( 5.537 -6.974 -2.830) 9.343 12.649 ( -5.543 -10.387 -1.211) 11.836 13.212 ( 10.399 8.459 0.031) 13.406 13.568 ( 2.605 -1.180 0.516) 2.906 17.950 ( 8.133 16.741 5.886) 19.521 19.224 ( -2.838 -5.341 -4.487) 7.531 20.442 ( -2.388 -2.662 -1.915) 4.057 20.778 ( -16.708 -3.351 0.448) 17.047 22.713 ( -3.289 9.367 0.464) 9.938 23.616 ( -4.659 -5.248 -0.060) 7.018 25.236 ( 12.205 12.054 2.841) 17.388 25.310 ( 11.179 9.571 -1.212) 14.766 105.203 ( -0.693 0.573 -0.166) 0.914 105.286 ( 0.759 -1.466 -0.092) 1.653 105.830 ( -0.072 -3.163 -0.139) 3.167 105.926 ( -0.414 -6.502 0.146) 6.517 ======================= Grid point 549 (261/272) ======================= q-point: ( 0.38 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 6.479 -0.370 2.807) 7.071 2.545 ( -6.111 -7.514 -2.781) 10.077 2.927 ( 7.611 9.076 -1.218) 11.907 3.500 ( -4.458 4.327 -1.378) 6.364 3.596 ( -8.226 -1.246 -2.074) 8.575 3.964 ( -2.217 -0.584 2.000) 3.042 4.724 ( 3.413 16.583 0.894) 16.954 4.867 ( 1.568 12.596 1.325) 12.762 5.139 ( -0.389 -1.127 -0.521) 1.301 5.233 ( -0.754 6.466 -2.634) 7.023 5.453 ( 1.515 9.642 0.592) 9.778 5.573 ( 1.102 0.861 1.992) 2.434 8.225 ( 4.177 2.200 0.486) 4.746 8.682 ( -3.839 -1.661 1.083) 4.321 8.774 ( -2.896 0.396 0.058) 2.924 9.525 ( -1.306 -10.548 1.140) 10.689 10.082 ( 0.360 11.461 0.027) 11.466 10.686 ( -14.940 -1.250 1.467) 15.064 11.338 ( 3.369 4.885 -1.796) 6.200 11.478 ( 1.395 -3.286 1.355) 3.818 11.947 ( 13.233 -10.077 -2.306) 16.793 12.472 ( -10.767 -13.212 -0.397) 17.048 13.401 ( 7.480 8.198 -0.213) 11.100 13.603 ( 0.442 1.524 0.448) 1.649 18.170 ( 9.110 16.107 6.320) 19.554 19.108 ( -5.315 4.482 -5.919) 9.131 20.322 ( -8.435 -2.505 -0.158) 8.800 20.553 ( -4.229 -8.917 -0.357) 9.875 22.664 ( -1.671 6.894 0.315) 7.101 23.530 ( -3.317 -7.517 0.089) 8.217 25.464 ( 7.643 12.437 3.387) 14.986 25.496 ( 7.333 11.419 -2.310) 13.766 105.191 ( -0.344 0.595 -0.111) 0.696 105.297 ( 0.369 -2.053 -0.079) 2.087 105.829 ( -0.048 -3.218 -0.098) 3.220 105.920 ( -0.270 -5.824 0.110) 5.832 ======================= Grid point 550 (262/272) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 238 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -0.000 -1.809 0.000) 1.809 2.450 ( -0.000 -8.261 0.000) 8.261 3.038 ( -0.000 6.147 0.000) 6.147 3.375 ( -0.000 0.055 0.000) 0.055 3.543 ( -0.000 6.385 0.000) 6.385 3.947 ( -0.000 -0.791 0.000) 0.791 4.755 ( -0.000 14.420 0.000) 14.420 4.900 ( -0.000 13.890 0.000) 13.890 5.137 ( -0.000 -0.227 -0.000) 0.227 5.208 ( -0.000 6.951 0.000) 6.951 5.472 ( -0.000 9.191 0.000) 9.191 5.591 ( -0.000 0.868 0.000) 0.868 8.285 ( 0.000 4.618 0.000) 4.618 8.589 ( -0.000 5.239 0.000) 5.239 8.784 ( -0.000 -6.650 0.000) 6.650 9.523 ( -0.000 -12.499 0.000) 12.499 10.100 ( -0.000 12.650 0.000) 12.650 10.511 ( -0.000 -0.919 0.000) 0.919 11.352 ( -0.000 10.354 0.000) 10.354 11.509 ( -0.000 -9.512 0.000) 9.512 12.211 ( 0.000 -4.915 0.000) 4.915 12.231 ( -0.000 -20.104 0.000) 20.104 13.486 ( -0.000 7.599 0.000) 7.599 13.601 ( -0.000 2.700 0.000) 2.700 18.306 ( -0.000 14.757 0.000) 14.757 19.012 ( -0.000 10.327 0.000) 10.327 20.219 ( -0.000 -3.299 0.000) 3.299 20.523 ( -0.000 -11.269 0.000) 11.269 22.648 ( -0.000 6.105 0.000) 6.105 23.495 ( -0.000 -8.282 0.000) 8.282 25.559 ( 0.000 12.755 -0.000) 12.755 25.561 ( -0.000 11.836 0.000) 11.836 105.187 ( -0.000 0.585 0.000) 0.585 105.300 ( -0.000 -2.272 0.000) 2.272 105.828 ( -0.000 -3.234 0.000) 3.234 105.917 ( -0.000 -5.557 0.000) 5.557 ======================= Grid point 555 (263/272) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.000 11.556 0.000) 11.556 2.540 ( 0.000 -13.847 0.000) 13.847 3.221 ( -0.000 19.054 0.000) 19.054 3.676 ( 0.000 8.957 0.000) 8.957 3.951 ( -0.000 -15.072 -0.000) 15.072 3.982 ( 0.000 -4.283 0.000) 4.283 4.781 ( -0.000 14.139 0.000) 14.139 5.027 ( 0.000 4.926 0.000) 4.926 5.119 ( -0.000 0.083 0.000) 0.083 5.183 ( 0.000 -4.021 0.000) 4.021 5.520 ( -0.000 5.484 -0.000) 5.484 5.546 ( 0.000 2.962 0.000) 2.962 8.093 ( -0.000 -4.173 0.000) 4.173 8.112 ( 0.000 -5.155 0.000) 5.155 9.561 ( -0.000 11.287 0.000) 11.287 9.957 ( 0.000 -6.081 0.000) 6.081 10.245 ( -0.000 5.712 0.000) 5.712 10.441 ( -0.000 -3.374 0.000) 3.374 11.255 ( -0.000 -2.975 0.000) 2.975 11.296 ( 0.000 -5.579 0.000) 5.579 12.372 ( 0.000 5.782 0.000) 5.782 12.500 ( -0.000 1.719 0.000) 1.719 13.067 ( -0.000 4.300 0.000) 4.300 13.338 ( 0.000 -6.966 0.000) 6.966 18.103 ( -0.000 19.320 0.000) 19.320 18.924 ( -0.000 -19.806 0.000) 19.806 20.613 ( -0.000 8.042 0.000) 8.042 21.056 ( 0.000 -11.747 0.000) 11.747 23.158 ( -0.000 15.879 0.000) 15.879 23.650 ( 0.000 -7.321 0.000) 7.321 25.065 ( -0.000 5.989 0.000) 5.989 25.086 ( -0.000 4.261 0.000) 4.261 105.240 ( 0.000 0.072 0.000) 0.072 105.246 ( -0.000 -0.148 0.000) 0.148 105.787 ( 0.000 -1.485 0.000) 1.485 105.822 ( -0.000 -3.831 0.000) 3.831 ======================= Grid point 557 (264/272) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 1.135 10.406 -1.626) 10.594 2.518 ( -1.285 -13.650 -3.089) 14.054 3.177 ( -3.273 18.279 -0.569) 18.579 3.686 ( 0.409 7.790 0.234) 7.804 3.857 ( -6.969 -12.313 -2.362) 14.344 3.986 ( -1.255 -5.029 2.229) 5.642 4.827 ( 4.092 14.030 0.625) 14.628 5.026 ( -0.557 5.357 1.215) 5.521 5.127 ( 0.707 -0.355 -1.091) 1.348 5.201 ( 2.378 -3.968 -1.729) 4.938 5.537 ( 1.210 5.420 1.287) 5.701 5.562 ( 0.830 3.387 2.418) 4.244 8.079 ( 1.534 -0.932 0.115) 1.799 8.223 ( 7.406 -7.658 1.002) 10.700 9.437 ( -11.618 9.692 1.737) 15.229 9.736 ( -14.751 -4.244 0.971) 15.380 10.311 ( 1.775 7.402 0.016) 7.612 10.605 ( 12.543 -7.025 -0.298) 14.380 11.213 ( -2.919 -0.718 0.999) 3.168 11.358 ( 5.037 -7.605 -1.123) 9.191 12.118 ( -15.448 11.446 -0.759) 19.241 12.545 ( -2.647 -8.204 -1.186) 8.702 13.161 ( 9.104 7.047 -0.091) 11.513 13.413 ( 6.050 -4.946 0.323) 7.821 18.157 ( 4.735 19.204 1.975) 19.877 18.953 ( 2.812 -18.439 -0.767) 18.668 20.563 ( -4.446 6.607 -0.757) 7.999 20.948 ( -10.119 -10.106 -0.109) 14.302 23.083 ( -6.296 15.227 0.001) 16.478 23.590 ( -5.484 -8.486 0.032) 10.104 25.173 ( 10.075 6.624 1.053) 12.104 25.214 ( 10.950 4.374 -0.490) 11.802 105.229 ( -0.636 0.474 -0.174) 0.812 105.253 ( 0.382 -0.689 -0.168) 0.806 105.786 ( -0.065 -1.443 -0.031) 1.445 105.823 ( 0.039 -3.751 0.098) 3.753 ======================= Grid point 558 (265/272) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 2.049 7.180 -1.587) 7.633 2.452 ( -3.097 -12.743 -4.948) 14.016 3.123 ( -1.002 15.374 -0.582) 15.417 3.661 ( -7.678 -9.814 -1.317) 12.530 3.695 ( -2.318 7.180 -0.642) 7.572 3.957 ( -2.511 -4.093 1.952) 5.184 4.933 ( 4.872 12.934 1.125) 13.867 5.022 ( -0.138 5.731 1.550) 5.938 5.127 ( 0.073 -0.770 -1.194) 1.423 5.250 ( 3.046 -2.746 -2.638) 4.877 5.575 ( 1.385 5.452 1.973) 5.961 5.600 ( 1.274 3.804 2.843) 4.917 8.158 ( 5.683 2.458 0.677) 6.229 8.395 ( 8.497 -8.754 0.664) 12.217 9.169 ( -14.253 8.723 1.677) 16.794 9.472 ( -11.044 -6.456 1.144) 12.844 10.315 ( -0.986 10.647 0.694) 10.715 10.764 ( -0.900 -11.162 2.655) 11.509 11.200 ( 3.636 2.900 -1.032) 4.764 11.476 ( 6.940 -9.035 -1.407) 11.479 11.844 ( -9.707 12.849 -1.439) 16.168 12.406 ( -8.866 -13.283 -1.247) 16.019 13.371 ( 10.156 6.833 -0.359) 12.246 13.541 ( 5.581 -1.902 0.439) 5.913 18.308 ( 8.214 18.522 3.541) 20.569 19.017 ( 3.692 -14.278 -1.680) 14.843 20.443 ( -6.347 2.831 -1.199) 7.052 20.679 ( -14.918 -6.384 -0.280) 16.229 22.949 ( -6.168 13.310 0.087) 14.670 23.458 ( -6.774 -10.129 0.113) 12.186 25.429 ( 12.763 6.892 1.672) 14.601 25.462 ( 12.628 5.163 -0.940) 13.675 105.216 ( -0.540 0.765 -0.239) 0.966 105.258 ( 0.169 -1.303 -0.247) 1.337 105.784 ( -0.064 -1.332 -0.028) 1.334 105.825 ( 0.042 -3.583 0.126) 3.585 ======================= Grid point 559 (266/272) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 448 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 3.144 2.442 0.225) 3.987 2.345 ( -4.424 -10.593 -4.691) 12.401 3.139 ( 2.648 10.596 -0.490) 10.933 3.470 ( -8.326 -5.214 -1.084) 9.884 3.680 ( -0.406 6.887 0.040) 6.899 3.916 ( -2.134 -3.922 1.122) 4.603 4.981 ( 0.004 8.392 0.730) 8.423 5.060 ( 1.234 5.257 1.093) 5.509 5.140 ( 2.570 2.490 -0.037) 3.578 5.277 ( 0.802 -0.631 -2.486) 2.687 5.607 ( 0.803 5.507 1.402) 5.739 5.638 ( 0.998 3.681 1.763) 4.201 8.295 ( 6.636 4.624 0.527) 8.106 8.544 ( 5.052 -7.459 0.172) 9.010 8.920 ( -10.024 9.175 0.801) 13.612 9.315 ( -4.945 -10.268 0.956) 11.437 10.305 ( 0.162 10.366 1.031) 10.419 10.627 ( -10.457 -4.804 2.127) 11.703 11.320 ( 6.365 0.259 -0.980) 6.445 11.573 ( 0.802 0.628 -0.635) 1.200 11.761 ( 3.761 -1.561 -1.510) 4.343 12.206 ( -9.682 -13.210 -0.734) 16.395 13.539 ( 6.256 5.313 -0.380) 8.216 13.628 ( 2.548 0.522 0.391) 2.630 18.503 ( 7.990 16.724 3.667) 18.894 19.065 ( 1.844 -7.940 -2.269) 8.461 20.298 ( -7.607 0.206 -0.782) 7.650 20.417 ( -8.418 -5.104 -0.412) 9.853 22.851 ( -3.343 11.277 0.107) 11.763 23.341 ( -4.333 -11.039 0.119) 11.859 25.658 ( 7.871 6.710 2.155) 10.565 25.674 ( 8.137 6.001 -1.663) 10.247 105.206 ( -0.304 0.888 -0.167) 0.954 105.258 ( 0.034 -1.729 -0.179) 1.738 105.783 ( -0.029 -1.217 -0.011) 1.218 105.826 ( 0.022 -3.438 0.083) 3.439 ======================= Grid point 560 (267/272) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -0.000 -0.831 0.000) 0.831 2.265 ( -0.000 -8.567 0.000) 8.567 3.186 ( -0.000 7.270 0.000) 7.270 3.361 ( -0.000 -1.532 0.000) 1.532 3.676 ( -0.000 6.469 0.000) 6.469 3.895 ( -0.000 -3.977 0.000) 3.977 4.981 ( -0.000 7.620 0.000) 7.620 5.066 ( -0.000 2.206 0.000) 2.206 5.190 ( 0.000 5.303 0.000) 5.303 5.267 ( -0.000 0.622 0.000) 0.622 5.620 ( -0.000 5.456 0.000) 5.456 5.653 ( -0.000 3.542 0.000) 3.542 8.382 ( 0.000 4.917 0.000) 4.917 8.588 ( -0.000 -5.026 0.000) 5.026 8.813 ( -0.000 8.834 0.000) 8.834 9.271 ( -0.000 -12.402 0.000) 12.402 10.328 ( -0.000 9.219 0.000) 9.219 10.491 ( -0.000 -1.077 0.000) 1.077 11.392 ( -0.000 -1.128 0.000) 1.128 11.555 ( -0.000 7.867 0.000) 7.867 11.859 ( -0.000 -14.474 0.000) 14.474 12.063 ( -0.000 -9.260 0.000) 9.260 13.607 ( 0.000 4.326 0.000) 4.326 13.650 ( -0.000 1.753 0.000) 1.753 18.610 ( -0.000 15.126 0.000) 15.126 19.072 ( -0.000 -3.873 0.000) 3.873 20.195 ( 0.000 0.698 0.000) 0.698 20.340 ( -0.000 -6.819 0.000) 6.819 22.817 ( -0.000 10.448 0.000) 10.448 23.296 ( -0.000 -11.304 0.000) 11.304 25.748 ( 0.000 6.499 -0.000) 6.499 25.754 ( -0.000 6.432 0.000) 6.432 105.202 ( -0.000 0.917 0.000) 0.917 105.258 ( -0.000 -1.878 0.000) 1.878 105.783 ( -0.000 -1.171 0.000) 1.171 105.826 ( -0.000 -3.383 0.000) 3.383 ======================= Grid point 565 (268/272) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 0.000 -14.454 0.000) 14.454 2.248 ( 0.000 14.454 0.000) 14.454 3.589 ( -0.000 -17.064 0.000) 17.064 3.589 ( -0.000 17.064 0.000) 17.064 3.869 ( -0.000 -6.507 0.000) 6.507 3.869 ( 0.000 6.507 0.000) 6.507 5.010 ( -0.000 -7.809 0.000) 7.809 5.010 ( 0.000 7.809 0.000) 7.809 5.122 ( -0.000 -0.317 0.000) 0.317 5.122 ( -0.000 0.317 0.000) 0.317 5.577 ( 0.000 -0.354 0.000) 0.354 5.577 ( -0.000 0.354 0.000) 0.354 8.055 ( -0.000 -0.497 0.000) 0.497 8.055 ( -0.000 0.497 0.000) 0.497 9.785 ( -0.000 -10.400 0.000) 10.400 9.785 ( 0.000 10.400 0.000) 10.400 10.356 ( -0.000 -5.011 0.000) 5.011 10.356 ( -0.000 5.011 0.000) 5.011 11.231 ( -0.000 -0.859 0.000) 0.859 11.231 ( -0.000 0.859 0.000) 0.859 12.471 ( 0.000 -3.760 0.000) 3.760 12.471 ( -0.000 3.760 0.000) 3.760 13.192 ( -0.000 -7.250 0.000) 7.250 13.192 ( 0.000 7.250 0.000) 7.250 18.511 ( -0.000 -20.771 0.000) 20.771 18.511 ( -0.000 20.771 0.000) 20.771 20.814 ( -0.000 -11.500 0.000) 11.500 20.814 ( 0.000 11.500 0.000) 11.500 23.447 ( -0.000 -12.474 0.000) 12.474 23.447 ( -0.000 12.474 0.000) 12.474 25.129 ( 0.000 -0.364 0.000) 0.364 25.129 ( -0.000 0.364 0.000) 0.364 105.243 ( -0.000 -0.164 0.000) 0.164 105.243 ( -0.000 0.164 0.000) 0.164 105.778 ( 0.000 -0.735 0.000) 0.735 105.778 ( 0.000 0.735 0.000) 0.735 ======================= Grid point 569 (269/272) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -0.383 -13.739 -3.004) 14.068 2.236 ( -0.383 13.739 -3.004) 14.068 3.528 ( -4.962 -16.368 -0.813) 17.123 3.528 ( -4.962 16.368 -0.813) 17.123 3.869 ( -0.575 -6.810 0.762) 6.876 3.869 ( -0.575 6.810 0.762) 6.876 5.047 ( 2.966 -6.498 0.504) 7.160 5.047 ( 2.966 6.498 0.504) 7.160 5.120 ( 0.233 -0.634 -0.716) 0.985 5.120 ( 0.233 0.634 -0.716) 0.985 5.596 ( 1.192 -0.502 1.799) 2.215 5.596 ( 1.192 0.502 1.799) 2.215 8.108 ( 4.855 -3.646 0.548) 6.096 8.108 ( 4.855 3.646 0.548) 6.096 9.615 ( -13.787 -7.641 1.358) 15.821 9.615 ( -13.787 7.641 1.358) 15.821 10.459 ( 6.675 -7.350 0.082) 9.929 10.459 ( 6.675 7.350 0.082) 9.929 11.241 ( 1.426 -3.678 -0.184) 3.949 11.241 ( 1.426 3.678 -0.184) 3.949 12.347 ( -9.989 -10.924 -0.938) 14.833 12.347 ( -9.989 10.924 -0.938) 14.833 13.300 ( 8.731 -6.357 0.032) 10.800 13.300 ( 8.731 6.357 0.032) 10.800 18.558 ( 4.376 -20.166 0.567) 20.643 18.558 ( 4.376 20.166 0.567) 20.643 20.736 ( -7.227 -10.140 -0.296) 12.455 20.736 ( -7.227 10.140 -0.296) 12.455 23.371 ( -6.630 -12.875 -0.010) 14.482 23.371 ( -6.630 12.875 -0.010) 14.482 25.251 ( 10.807 -0.944 0.133) 10.849 25.251 ( 10.807 0.944 0.133) 10.849 105.240 ( -0.187 -0.601 -0.194) 0.658 105.240 ( -0.187 0.601 -0.194) 0.658 105.778 ( 0.041 -0.807 0.039) 0.809 105.778 ( 0.041 0.807 0.039) 0.809 ======================= Grid point 571 (270/272) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -0.977 -11.465 -4.277) 12.276 2.201 ( -0.977 11.465 -4.277) 12.276 3.415 ( -5.017 -13.465 -0.852) 14.395 3.415 ( -5.017 13.465 -0.852) 14.395 3.848 ( -1.839 -6.710 0.858) 7.010 3.848 ( -1.839 6.710 0.858) 7.010 5.086 ( -0.282 -1.418 0.916) 1.711 5.086 ( -0.282 1.418 0.916) 1.711 5.157 ( 4.155 -5.978 -1.192) 7.377 5.157 ( 4.155 5.978 -1.192) 7.377 5.636 ( 1.417 -0.606 2.391) 2.845 5.636 ( 1.417 0.606 2.391) 2.845 8.245 ( 7.863 -6.015 0.681) 9.923 8.245 ( 7.863 6.015 0.681) 9.923 9.333 ( -13.509 -7.480 1.292) 15.496 9.333 ( -13.509 7.480 1.292) 15.496 10.536 ( -0.222 -11.248 1.741) 11.384 10.536 ( -0.222 11.248 1.741) 11.384 11.304 ( 5.108 -7.218 -1.034) 8.903 11.304 ( 5.108 7.218 -1.034) 8.903 12.125 ( -10.218 -14.277 -1.351) 17.609 12.125 ( -10.218 14.277 -1.351) 17.609 13.481 ( 8.230 -4.137 -0.027) 9.211 13.481 ( 8.230 4.137 -0.027) 9.211 18.682 ( 6.986 -18.155 0.964) 19.476 18.682 ( 6.986 18.155 0.964) 19.476 20.543 ( -10.753 -6.495 -0.620) 12.577 20.543 ( -10.753 6.495 -0.620) 12.577 23.220 ( -7.333 -13.055 0.031) 14.974 23.220 ( -7.333 13.055 0.031) 14.974 25.508 ( 12.938 -0.814 0.177) 12.965 25.508 ( 12.938 0.814 0.177) 12.965 105.234 ( -0.264 -1.037 -0.274) 1.104 105.234 ( -0.264 1.037 -0.274) 1.104 105.780 ( 0.058 -0.939 0.055) 0.943 105.780 ( 0.058 0.939 0.055) 0.943 ======================= Grid point 573 (271/272) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -1.029 -7.375 -3.028) 8.038 2.158 ( -1.029 7.375 -3.028) 8.038 3.332 ( -2.598 -8.316 -0.546) 8.730 3.332 ( -2.598 8.316 -0.546) 8.730 3.814 ( -1.626 -6.040 0.575) 6.282 3.814 ( -1.626 6.040 0.575) 6.282 5.075 ( -0.762 -1.873 0.379) 2.057 5.075 ( -0.762 1.873 0.379) 2.057 5.232 ( 3.094 -4.008 -0.579) 5.096 5.232 ( 3.094 4.008 -0.579) 5.096 5.672 ( 0.861 -0.728 1.622) 1.976 5.672 ( 0.861 0.728 1.622) 1.976 8.405 ( 6.703 -6.223 0.350) 9.153 8.405 ( 6.703 6.223 0.350) 9.153 9.112 ( -8.225 -9.816 0.784) 12.830 9.112 ( -8.225 9.817 0.784) 12.830 10.493 ( -3.709 -8.205 1.862) 9.195 10.493 ( -3.709 8.205 1.862) 9.195 11.417 ( 5.725 -8.665 -1.096) 10.443 11.417 ( 5.725 8.665 -1.096) 10.443 11.942 ( -6.844 -12.768 -0.926) 14.516 11.942 ( -6.844 12.768 -0.926) 14.516 13.613 ( 4.539 -2.111 -0.038) 5.006 13.613 ( 4.539 2.111 -0.038) 5.007 18.827 ( 5.897 -14.754 0.865) 15.912 18.827 ( 5.897 14.754 0.865) 15.912 20.333 ( -8.381 -3.174 -0.648) 8.985 20.333 ( -8.381 3.174 -0.648) 8.985 23.098 ( -4.377 -12.647 0.049) 13.383 23.098 ( -4.377 12.647 0.049) 13.383 25.731 ( 8.134 -0.416 0.123) 8.146 25.731 ( 8.134 0.416 0.123) 8.146 105.228 ( -0.186 -1.291 -0.193) 1.319 105.228 ( -0.186 1.291 -0.193) 1.319 105.781 ( 0.041 -1.033 0.039) 1.034 105.781 ( 0.041 1.033 0.039) 1.034 ======================= Grid point 575 (272/272) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -0.000 -3.760 0.000) 3.760 2.137 ( -0.000 3.760 0.000) 3.760 3.305 ( -0.000 -4.256 0.000) 4.256 3.305 ( -0.000 4.256 0.000) 4.256 3.798 ( -0.000 -5.515 0.000) 5.515 3.798 ( -0.000 5.515 0.000) 5.515 5.067 ( -0.000 -1.591 0.000) 1.591 5.067 ( -0.000 1.591 0.000) 1.591 5.263 ( -0.000 -1.438 0.000) 1.438 5.263 ( -0.000 1.438 0.000) 1.438 5.685 ( -0.000 -0.819 0.000) 0.819 5.685 ( -0.000 0.819 0.000) 0.819 8.482 ( 0.000 -5.096 0.000) 5.096 8.482 ( -0.000 5.096 0.000) 5.096 9.027 ( -0.000 -11.665 0.000) 11.665 9.027 ( -0.000 11.665 0.000) 11.665 10.453 ( -0.000 -3.349 0.000) 3.349 10.453 ( 0.000 3.349 0.000) 3.349 11.482 ( -0.000 -9.272 0.000) 9.272 11.482 ( 0.000 9.272 0.000) 9.272 11.862 ( -0.000 -9.741 0.000) 9.741 11.862 ( -0.000 9.741 0.000) 9.741 13.660 ( -0.000 -0.954 0.000) 0.954 13.660 ( -0.000 0.954 0.000) 0.954 18.896 ( -0.000 -12.452 0.000) 12.452 18.896 ( -0.000 12.452 0.000) 12.452 20.239 ( -0.000 -3.515 0.000) 3.515 20.239 ( -0.000 3.515 0.000) 3.515 23.052 ( -0.000 -12.370 0.000) 12.370 23.052 ( -0.000 12.370 0.000) 12.370 25.817 ( -0.000 -0.203 0.000) 0.203 25.817 ( -0.000 0.203 0.000) 0.203 105.225 ( -0.000 -1.370 0.000) 1.370 105.225 ( -0.000 1.370 0.000) 1.370 105.782 ( -0.000 -1.063 0.000) 1.063 105.782 ( -0.000 1.063 0.000) 1.063 =================== 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 3/32256 10.0 372.491 387.869 275.072 0.000 -40.742 0.000 3/32256 20.0 134.607 200.849 91.176 0.000 -15.927 0.000 3/32256 30.0 65.813 110.886 41.028 0.000 -7.076 0.000 3/32256 40.0 39.352 70.979 23.085 0.000 -3.852 0.000 3/32256 50.0 27.285 51.643 15.232 0.000 -2.443 0.000 3/32256 60.0 20.734 40.570 11.147 0.000 -1.723 0.000 3/32256 70.0 16.658 33.315 8.722 0.000 -1.307 0.000 3/32256 80.0 13.873 28.138 7.135 0.000 -1.042 0.000 3/32256 90.0 11.851 24.251 6.022 0.000 -0.861 0.000 3/32256 100.0 10.321 21.239 5.201 0.000 -0.730 0.000 3/32256 110.0 9.128 18.852 4.573 0.000 -0.632 0.000 3/32256 120.0 8.176 16.927 4.077 0.000 -0.555 0.000 3/32256 130.0 7.402 15.350 3.677 0.000 -0.494 0.000 3/32256 140.0 6.761 14.041 3.349 0.000 -0.445 0.000 3/32256 150.0 6.224 12.941 3.074 0.000 -0.404 0.000 3/32256 160.0 5.768 12.005 2.841 0.000 -0.370 0.000 3/32256 170.0 5.376 11.200 2.642 0.000 -0.340 0.000 3/32256 180.0 5.036 10.502 2.469 0.000 -0.315 0.000 3/32256 190.0 4.738 9.891 2.318 0.000 -0.293 0.000 3/32256 200.0 4.475 9.352 2.185 0.000 -0.274 0.000 3/32256 210.0 4.240 8.872 2.067 0.000 -0.257 0.000 3/32256 220.0 4.031 8.442 1.961 0.000 -0.243 0.000 3/32256 230.0 3.842 8.055 1.866 0.000 -0.229 0.000 3/32256 240.0 3.671 7.705 1.780 0.000 -0.217 0.000 3/32256 250.0 3.515 7.386 1.702 0.000 -0.206 0.000 3/32256 260.0 3.373 7.093 1.630 0.000 -0.197 0.000 3/32256 270.0 3.242 6.825 1.565 0.000 -0.188 0.000 3/32256 280.0 3.122 6.577 1.505 0.000 -0.180 0.000 3/32256 290.0 3.010 6.348 1.449 0.000 -0.172 0.000 3/32256 300.0 2.907 6.135 1.398 0.000 -0.165 0.000 3/32256 310.0 2.810 5.937 1.350 0.000 -0.159 0.000 3/32256 320.0 2.720 5.752 1.305 0.000 -0.153 0.000 3/32256 330.0 2.636 5.578 1.264 0.000 -0.148 0.000 3/32256 340.0 2.557 5.415 1.225 0.000 -0.143 0.000 3/32256 350.0 2.483 5.262 1.188 0.000 -0.138 0.000 3/32256 360.0 2.414 5.117 1.154 0.000 -0.133 0.000 3/32256 370.0 2.348 4.980 1.121 0.000 -0.129 0.000 3/32256 380.0 2.285 4.851 1.091 0.000 -0.125 0.000 3/32256 390.0 2.226 4.729 1.062 0.000 -0.122 0.000 3/32256 400.0 2.170 4.612 1.034 0.000 -0.118 0.000 3/32256 410.0 2.117 4.502 1.008 0.000 -0.115 0.000 3/32256 420.0 2.067 4.396 0.983 0.000 -0.112 0.000 3/32256 430.0 2.019 4.296 0.960 0.000 -0.109 0.000 3/32256 440.0 1.973 4.200 0.938 0.000 -0.106 0.000 3/32256 450.0 1.929 4.109 0.916 0.000 -0.104 0.000 3/32256 460.0 1.887 4.021 0.896 0.000 -0.101 0.000 3/32256 470.0 1.847 3.937 0.876 0.000 -0.099 0.000 3/32256 480.0 1.809 3.857 0.858 0.000 -0.097 0.000 3/32256 490.0 1.772 3.780 0.840 0.000 -0.094 0.000 3/32256 500.0 1.736 3.705 0.823 0.000 -0.092 0.000 3/32256 510.0 1.703 3.634 0.806 0.000 -0.090 0.000 3/32256 520.0 1.670 3.566 0.791 0.000 -0.088 0.000 3/32256 530.0 1.639 3.500 0.775 0.000 -0.087 0.000 3/32256 540.0 1.608 3.436 0.761 0.000 -0.085 0.000 3/32256 550.0 1.579 3.375 0.747 0.000 -0.083 0.000 3/32256 560.0 1.551 3.316 0.733 0.000 -0.082 0.000 3/32256 570.0 1.524 3.259 0.720 0.000 -0.080 0.000 3/32256 580.0 1.498 3.204 0.708 0.000 -0.079 0.000 3/32256 590.0 1.473 3.151 0.696 0.000 -0.077 0.000 3/32256 600.0 1.448 3.099 0.684 0.000 -0.076 0.000 3/32256 610.0 1.425 3.049 0.673 0.000 -0.074 0.000 3/32256 620.0 1.402 3.001 0.662 0.000 -0.073 0.000 3/32256 630.0 1.380 2.954 0.651 0.000 -0.072 0.000 3/32256 640.0 1.358 2.909 0.641 0.000 -0.071 0.000 3/32256 650.0 1.338 2.865 0.631 0.000 -0.070 0.000 3/32256 660.0 1.318 2.822 0.621 0.000 -0.068 0.000 3/32256 670.0 1.298 2.781 0.612 0.000 -0.067 0.000 3/32256 680.0 1.279 2.741 0.603 0.000 -0.066 0.000 3/32256 690.0 1.261 2.702 0.594 0.000 -0.065 0.000 3/32256 700.0 1.243 2.664 0.585 0.000 -0.064 0.000 3/32256 710.0 1.225 2.627 0.577 0.000 -0.063 0.000 3/32256 720.0 1.209 2.591 0.569 0.000 -0.062 0.000 3/32256 730.0 1.192 2.556 0.561 0.000 -0.062 0.000 3/32256 740.0 1.176 2.522 0.554 0.000 -0.061 0.000 3/32256 750.0 1.161 2.489 0.546 0.000 -0.060 0.000 3/32256 760.0 1.145 2.457 0.539 0.000 -0.059 0.000 3/32256 770.0 1.131 2.426 0.532 0.000 -0.058 0.000 3/32256 780.0 1.116 2.395 0.525 0.000 -0.057 0.000 3/32256 790.0 1.102 2.365 0.518 0.000 -0.057 0.000 3/32256 800.0 1.088 2.336 0.512 0.000 -0.056 0.000 3/32256 810.0 1.075 2.308 0.506 0.000 -0.055 0.000 3/32256 820.0 1.062 2.280 0.499 0.000 -0.055 0.000 3/32256 830.0 1.049 2.253 0.493 0.000 -0.054 0.000 3/32256 840.0 1.037 2.226 0.487 0.000 -0.053 0.000 3/32256 850.0 1.025 2.201 0.482 0.000 -0.053 0.000 3/32256 860.0 1.013 2.175 0.476 0.000 -0.052 0.000 3/32256 870.0 1.001 2.151 0.471 0.000 -0.051 0.000 3/32256 880.0 0.990 2.127 0.465 0.000 -0.051 0.000 3/32256 890.0 0.979 2.103 0.460 0.000 -0.050 0.000 3/32256 900.0 0.968 2.080 0.455 0.000 -0.050 0.000 3/32256 910.0 0.958 2.058 0.450 0.000 -0.049 0.000 3/32256 920.0 0.947 2.036 0.445 0.000 -0.048 0.000 3/32256 930.0 0.937 2.014 0.440 0.000 -0.048 0.000 3/32256 940.0 0.927 1.993 0.436 0.000 -0.047 0.000 3/32256 950.0 0.918 1.972 0.431 0.000 -0.047 0.000 3/32256 960.0 0.908 1.952 0.427 0.000 -0.046 0.000 3/32256 970.0 0.899 1.932 0.422 0.000 -0.046 0.000 3/32256 980.0 0.890 1.913 0.418 0.000 -0.045 0.000 3/32256 990.0 0.881 1.894 0.414 0.000 -0.045 0.000 3/32256 1000.0 0.872 1.875 0.410 0.000 -0.044 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m8148.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:41:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|