----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:59:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.652052660000000 5.351551340000001 6.968620540000000 b 2.652052660000000 -5.351551340000001 6.968620540000000 c 2.652052660000000 5.351551340000001 -6.968620540000000 Atomic positions (fractional): *1 Mn 0.49630606880417 0.75000000000000 0.74630606880417 54.938 2 Mn 0.00369393119583 0.75000000000000 0.25369393119583 54.938 3 Mn 0.50369393119583 0.25000000000000 0.25369393119583 54.938 *4 Mn 0.75000000000000 0.25000000000000 0.50000000000000 54.938 5 Mn 0.25000000000000 0.75000000000000 0.50000000000000 54.938 6 Mn 0.99630606880417 0.25000000000000 0.74630606880417 54.938 *7 Se 0.21921351418520 0.09643673077384 0.62697934039602 78.960 8 Se 0.28078648581480 0.90776582621082 0.87722321658864 78.960 9 Se 0.03054260962218 0.40356326922616 0.12277678341136 78.960 10 Se 0.46945739037782 0.59223417378918 0.37302065960398 78.960 11 Se 0.78078648581480 0.90356326922616 0.37302065960398 78.960 12 Se 0.71921351418520 0.09223417378918 0.12277678341136 78.960 13 Se 0.96945739037782 0.59643673077384 0.87722321658864 78.960 14 Se 0.53054260962218 0.40776582621082 0.62697934039602 78.960 *15 Rb 0.12491478709855 0.25347973190710 0.37839451900564 85.468 16 Rb 0.37508521290145 0.75347973190710 0.12856494480855 85.468 17 Rb 0.62491478709855 0.24652026809290 0.87143505519145 85.468 18 Rb 0.87508521290145 0.74652026809290 0.62160548099435 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.304105320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.703102680000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.937241080000000 Atomic positions (fractional): *1 Mn 0.00000000000000 0.74630606880417 0.75000000000000 54.938 > 1 2 Mn 0.00000000000000 0.25369393119583 0.75000000000000 54.938 > 2 3 Mn 0.00000000000000 0.25369393119583 0.25000000000000 54.938 > 3 *4 Mn 0.00000000000000 0.50000000000000 0.25000000000000 54.938 > 4 5 Mn 0.00000000000000 0.50000000000000 0.75000000000000 54.938 > 5 6 Mn 0.00000000000000 0.74630606880417 0.25000000000000 54.938 > 6 7 Mn 0.50000000000000 0.24630606880417 0.25000000000000 54.938 > 1 8 Mn 0.50000000000000 0.75369393119583 0.25000000000000 54.938 > 2 9 Mn 0.50000000000000 0.75369393119583 0.75000000000000 54.938 > 3 10 Mn 0.50000000000000 0.00000000000000 0.75000000000000 54.938 > 4 11 Mn 0.50000000000000 0.00000000000000 0.25000000000000 54.938 > 5 12 Mn 0.50000000000000 0.24630606880417 0.75000000000000 54.938 > 6 *13 Se 0.25210127849233 0.37487806190369 0.84433545228151 78.960 > 7 14 Se 0.25210127849233 0.62512193809631 0.65566454771849 78.960 > 8 15 Se 0.74789872150767 0.37487806190369 0.65566454771849 78.960 > 9 16 Se 0.74789872150767 0.62512193809631 0.84433545228151 78.960 > 10 17 Se 0.74789872150767 0.62512193809631 0.15566454771849 78.960 > 11 18 Se 0.74789872150767 0.37487806190369 0.34433545228151 78.960 > 12 19 Se 0.25210127849233 0.62512193809631 0.34433545228151 78.960 > 13 20 Se 0.25210127849233 0.37487806190369 0.15566454771849 78.960 > 14 21 Se 0.75210127849233 0.87487806190369 0.34433545228151 78.960 > 7 22 Se 0.75210127849233 0.12512193809631 0.15566454771849 78.960 > 8 23 Se 0.24789872150767 0.87487806190369 0.15566454771849 78.960 > 9 24 Se 0.24789872150767 0.12512193809631 0.34433545228151 78.960 > 10 25 Se 0.24789872150767 0.12512193809631 0.65566454771849 78.960 > 11 26 Se 0.24789872150767 0.87487806190369 0.84433545228151 78.960 > 12 27 Se 0.75210127849233 0.12512193809631 0.84433545228151 78.960 > 13 28 Se 0.75210127849233 0.87487806190369 0.65566454771849 78.960 > 14 *29 Rb 0.25347973190710 0.12491478709855 0.00000000000000 85.468 > 15 30 Rb 0.75347973190710 0.37508521290145 0.00000000000000 85.468 > 16 31 Rb 0.24652026809290 0.62491478709855 0.00000000000000 85.468 > 17 32 Rb 0.74652026809290 0.87508521290145 0.00000000000000 85.468 > 18 33 Rb 0.75347973190710 0.62491478709855 0.50000000000000 85.468 > 15 34 Rb 0.25347973190710 0.87508521290145 0.50000000000000 85.468 > 16 35 Rb 0.74652026809290 0.12491478709855 0.50000000000000 85.468 > 17 36 Rb 0.24652026809290 0.37508521290145 0.50000000000000 85.468 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.912315959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.703102680000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.937241080000000 Atomic positions (fractional): *1 Mn 0.00000000000000 0.74630606880417 0.75000000000000 54.938 > 1 2 Mn 0.33333333333333 0.74630606880417 0.75000000000000 54.938 > 1 3 Mn 0.66666666666667 0.74630606880417 0.75000000000000 54.938 > 1 4 Mn 0.00000000000000 0.25369393119583 0.75000000000000 54.938 > 2 5 Mn 0.33333333333333 0.25369393119583 0.75000000000000 54.938 > 2 6 Mn 0.66666666666667 0.25369393119583 0.75000000000000 54.938 > 2 7 Mn 0.00000000000000 0.25369393119583 0.25000000000000 54.938 > 3 8 Mn 0.33333333333333 0.25369393119583 0.25000000000000 54.938 > 3 9 Mn 0.66666666666667 0.25369393119583 0.25000000000000 54.938 > 3 *10 Mn 0.00000000000000 0.50000000000000 0.25000000000000 54.938 > 4 11 Mn 0.33333333333333 0.50000000000000 0.25000000000000 54.938 > 4 12 Mn 0.66666666666667 0.50000000000000 0.25000000000000 54.938 > 4 13 Mn 0.00000000000000 0.50000000000000 0.75000000000000 54.938 > 5 14 Mn 0.33333333333333 0.50000000000000 0.75000000000000 54.938 > 5 15 Mn 0.66666666666667 0.50000000000000 0.75000000000000 54.938 > 5 16 Mn 0.00000000000000 0.74630606880417 0.25000000000000 54.938 > 6 17 Mn 0.33333333333333 0.74630606880417 0.25000000000000 54.938 > 6 18 Mn 0.66666666666667 0.74630606880417 0.25000000000000 54.938 > 6 19 Mn 0.16666666666667 0.24630606880417 0.25000000000000 54.938 > 1 20 Mn 0.50000000000000 0.24630606880417 0.25000000000000 54.938 > 1 21 Mn 0.83333333333333 0.24630606880417 0.25000000000000 54.938 > 1 22 Mn 0.16666666666667 0.75369393119583 0.25000000000000 54.938 > 2 23 Mn 0.50000000000000 0.75369393119583 0.25000000000000 54.938 > 2 24 Mn 0.83333333333333 0.75369393119583 0.25000000000000 54.938 > 2 25 Mn 0.16666666666667 0.75369393119583 0.75000000000000 54.938 > 3 26 Mn 0.50000000000000 0.75369393119583 0.75000000000000 54.938 > 3 27 Mn 0.83333333333333 0.75369393119583 0.75000000000000 54.938 > 3 28 Mn 0.16666666666667 0.00000000000000 0.75000000000000 54.938 > 4 29 Mn 0.50000000000000 0.00000000000000 0.75000000000000 54.938 > 4 30 Mn 0.83333333333333 0.00000000000000 0.75000000000000 54.938 > 4 31 Mn 0.16666666666667 0.00000000000000 0.25000000000000 54.938 > 5 32 Mn 0.50000000000000 0.00000000000000 0.25000000000000 54.938 > 5 33 Mn 0.83333333333333 0.00000000000000 0.25000000000000 54.938 > 5 34 Mn 0.16666666666667 0.24630606880417 0.75000000000000 54.938 > 6 35 Mn 0.50000000000000 0.24630606880417 0.75000000000000 54.938 > 6 36 Mn 0.83333333333333 0.24630606880417 0.75000000000000 54.938 > 6 *37 Se 0.08403375949744 0.37487806190369 0.84433545228151 78.960 > 7 38 Se 0.41736709283078 0.37487806190369 0.84433545228151 78.960 > 7 39 Se 0.75070042616411 0.37487806190369 0.84433545228151 78.960 > 7 40 Se 0.08403375949744 0.62512193809631 0.65566454771849 78.960 > 8 41 Se 0.41736709283078 0.62512193809631 0.65566454771849 78.960 > 8 42 Se 0.75070042616411 0.62512193809631 0.65566454771849 78.960 > 8 43 Se 0.24929957383589 0.37487806190369 0.65566454771849 78.960 > 9 44 Se 0.58263290716922 0.37487806190369 0.65566454771849 78.960 > 9 45 Se 0.91596624050256 0.37487806190369 0.65566454771849 78.960 > 9 46 Se 0.24929957383589 0.62512193809631 0.84433545228151 78.960 > 10 47 Se 0.58263290716922 0.62512193809631 0.84433545228151 78.960 > 10 48 Se 0.91596624050256 0.62512193809631 0.84433545228151 78.960 > 10 49 Se 0.24929957383589 0.62512193809631 0.15566454771849 78.960 > 11 50 Se 0.58263290716922 0.62512193809631 0.15566454771849 78.960 > 11 51 Se 0.91596624050256 0.62512193809631 0.15566454771849 78.960 > 11 52 Se 0.24929957383589 0.37487806190369 0.34433545228151 78.960 > 12 53 Se 0.58263290716922 0.37487806190369 0.34433545228151 78.960 > 12 54 Se 0.91596624050256 0.37487806190369 0.34433545228151 78.960 > 12 55 Se 0.08403375949744 0.62512193809631 0.34433545228151 78.960 > 13 56 Se 0.41736709283078 0.62512193809631 0.34433545228151 78.960 > 13 57 Se 0.75070042616411 0.62512193809631 0.34433545228151 78.960 > 13 58 Se 0.08403375949744 0.37487806190369 0.15566454771849 78.960 > 14 59 Se 0.41736709283078 0.37487806190369 0.15566454771849 78.960 > 14 60 Se 0.75070042616411 0.37487806190369 0.15566454771849 78.960 > 14 61 Se 0.25070042616411 0.87487806190369 0.34433545228151 78.960 > 7 62 Se 0.58403375949744 0.87487806190369 0.34433545228151 78.960 > 7 63 Se 0.91736709283078 0.87487806190369 0.34433545228151 78.960 > 7 64 Se 0.25070042616411 0.12512193809631 0.15566454771849 78.960 > 8 65 Se 0.58403375949744 0.12512193809631 0.15566454771849 78.960 > 8 66 Se 0.91736709283078 0.12512193809631 0.15566454771849 78.960 > 8 67 Se 0.08263290716922 0.87487806190369 0.15566454771849 78.960 > 9 68 Se 0.41596624050256 0.87487806190369 0.15566454771849 78.960 > 9 69 Se 0.74929957383589 0.87487806190369 0.15566454771849 78.960 > 9 70 Se 0.08263290716922 0.12512193809631 0.34433545228151 78.960 > 10 71 Se 0.41596624050256 0.12512193809631 0.34433545228151 78.960 > 10 72 Se 0.74929957383589 0.12512193809631 0.34433545228151 78.960 > 10 73 Se 0.08263290716922 0.12512193809631 0.65566454771849 78.960 > 11 74 Se 0.41596624050256 0.12512193809631 0.65566454771849 78.960 > 11 75 Se 0.74929957383589 0.12512193809631 0.65566454771849 78.960 > 11 76 Se 0.08263290716922 0.87487806190369 0.84433545228151 78.960 > 12 77 Se 0.41596624050256 0.87487806190369 0.84433545228151 78.960 > 12 78 Se 0.74929957383589 0.87487806190369 0.84433545228151 78.960 > 12 79 Se 0.25070042616411 0.12512193809631 0.84433545228151 78.960 > 13 80 Se 0.58403375949744 0.12512193809631 0.84433545228151 78.960 > 13 81 Se 0.91736709283078 0.12512193809631 0.84433545228151 78.960 > 13 82 Se 0.25070042616411 0.87487806190369 0.65566454771849 78.960 > 14 83 Se 0.58403375949744 0.87487806190369 0.65566454771849 78.960 > 14 84 Se 0.91736709283078 0.87487806190369 0.65566454771849 78.960 > 14 *85 Rb 0.08449324396903 0.12491478709855 0.00000000000000 85.468 > 15 86 Rb 0.41782657730237 0.12491478709855 0.00000000000000 85.468 > 15 87 Rb 0.75115991063570 0.12491478709855 0.00000000000000 85.468 > 15 88 Rb 0.25115991063570 0.37508521290145 0.00000000000000 85.468 > 16 89 Rb 0.58449324396903 0.37508521290145 0.00000000000000 85.468 > 16 90 Rb 0.91782657730237 0.37508521290145 0.00000000000000 85.468 > 16 91 Rb 0.08217342269763 0.62491478709855 0.00000000000000 85.468 > 17 92 Rb 0.41550675603097 0.62491478709855 0.00000000000000 85.468 > 17 93 Rb 0.74884008936430 0.62491478709855 0.00000000000000 85.468 > 17 94 Rb 0.24884008936430 0.87508521290145 0.00000000000000 85.468 > 18 95 Rb 0.58217342269763 0.87508521290145 0.00000000000000 85.468 > 18 96 Rb 0.91550675603097 0.87508521290145 0.00000000000000 85.468 > 18 97 Rb 0.25115991063570 0.62491478709855 0.50000000000000 85.468 > 15 98 Rb 0.58449324396903 0.62491478709855 0.50000000000000 85.468 > 15 99 Rb 0.91782657730237 0.62491478709855 0.50000000000000 85.468 > 15 100 Rb 0.08449324396903 0.87508521290145 0.50000000000000 85.468 > 16 101 Rb 0.41782657730237 0.87508521290145 0.50000000000000 85.468 > 16 102 Rb 0.75115991063570 0.87508521290145 0.50000000000000 85.468 > 16 103 Rb 0.24884008936430 0.12491478709855 0.50000000000000 85.468 > 17 104 Rb 0.58217342269763 0.12491478709855 0.50000000000000 85.468 > 17 105 Rb 0.91550675603097 0.12491478709855 0.50000000000000 85.468 > 17 106 Rb 0.08217342269763 0.37508521290145 0.50000000000000 85.468 > 18 107 Rb 0.41550675603097 0.37508521290145 0.50000000000000 85.468 > 18 108 Rb 0.74884008936430 0.37508521290145 0.50000000000000 85.468 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 78.7304500 0.0000000 0.0000000 0.0000000 69.1440224 0.0000000 0.0000000 0.0000000 34.0324844 -------------------------- Born effective charges -------------------------- 1 Mn -3.6867681 0.0000000 1.5955177 0.0000000 -2.3268529 0.0000000 0.1453652 0.0000000 -0.8220799 2 Mn -3.6867681 0.0000000 -1.5955177 0.0000000 -2.3268529 0.0000000 -0.1453652 0.0000000 -0.8220799 3 Mn -3.6867681 0.0000000 1.5955177 0.0000000 -2.3268529 0.0000000 0.1453652 0.0000000 -0.8220799 4 Mn -1.3185551 0.0000000 0.0000000 0.0000000 -3.3789299 0.0000000 0.0000000 0.0000000 -1.4312142 5 Mn -1.3185551 0.0000000 0.0000000 0.0000000 -3.3789299 0.0000000 0.0000000 0.0000000 -1.4312142 6 Mn -3.6867681 0.0000000 -1.5955177 0.0000000 -2.3268529 0.0000000 -0.1453652 0.0000000 -0.8220799 7 Se 1.6563385 -0.6983304 1.3790944 -1.3900273 1.4439048 -1.0533317 -0.0112882 -0.1520968 -0.1270418 8 Se 1.6563385 0.6983304 -1.3790944 1.3900273 1.4439048 -1.0533317 0.0112882 -0.1520968 -0.1270418 9 Se 1.6563385 0.6983304 1.3790944 1.3900273 1.4439048 1.0533317 -0.0112882 0.1520968 -0.1270418 10 Se 1.6563385 -0.6983304 -1.3790944 -1.3900273 1.4439048 1.0533317 0.0112882 0.1520968 -0.1270418 11 Se 1.6563385 -0.6983304 1.3790944 -1.3900273 1.4439048 -1.0533317 -0.0112882 -0.1520968 -0.1270418 12 Se 1.6563385 0.6983304 -1.3790944 1.3900273 1.4439048 -1.0533317 0.0112882 -0.1520968 -0.1270418 13 Se 1.6563385 0.6983304 1.3790944 1.3900273 1.4439048 1.0533317 -0.0112882 0.1520968 -0.1270418 14 Se 1.6563385 -0.6983304 -1.3790944 -1.3900273 1.4439048 1.0533317 0.0112882 0.1520968 -0.1270418 15 Rb 1.0333685 0.0183568 0.0000000 -0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 16 Rb 1.0333685 -0.0183568 0.0000000 0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 17 Rb 1.0333685 -0.0183568 0.0000000 0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 18 Rb 1.0333685 0.0183568 0.0000000 -0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 10449/10449 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1214 Number of blocks in projector: 1214 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: 244 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 170 Use standard eigh solver. Tree of FC basis block matrices: - (1214, 1192), data: False |-- (170, 166), data: True |-- (170, 166), data: True |-- (170, 166), data: True |-- (224, 222), data: True |-- (236, 232), data: True |-- (244, 240), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 1.388 Solver_block: 200 / 320 - Time: 1.403 Solver_block: 300 / 320 - Time: 1.403 Solver_block: 320 / 320 - Time: 0.361 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.581 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 10449/10449 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1214 Number of blocks in projector: 1214 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: 244 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 170 Use standard eigh solver. Tree of FC basis block matrices: - (1214, 1192), data: False |-- (170, 166), data: True |-- (170, 166), data: True |-- (170, 166), data: True |-- (224, 222), data: True |-- (236, 232), data: True |-- (244, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:59:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:59:37]------------------------- 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): [3 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.652052660000000 5.351551340000001 6.968620540000000 b 2.652052660000000 -5.351551340000001 6.968620540000000 c 2.652052660000000 5.351551340000001 -6.968620540000000 Atomic positions (fractional): 1 Mn 0.49630606880417 0.75000000000000 0.74630606880417 54.938 2 Mn 0.00369393119583 0.75000000000000 0.25369393119583 54.938 3 Mn 0.50369393119583 0.25000000000000 0.25369393119583 54.938 4 Mn 0.75000000000000 0.25000000000000 0.50000000000000 54.938 5 Mn 0.25000000000000 0.75000000000000 0.50000000000000 54.938 6 Mn 0.99630606880417 0.25000000000000 0.74630606880417 54.938 7 Se 0.21921351418520 0.09643673077384 0.62697934039602 78.960 8 Se 0.28078648581480 0.90776582621082 0.87722321658864 78.960 9 Se 0.03054260962218 0.40356326922616 0.12277678341136 78.960 10 Se 0.46945739037782 0.59223417378918 0.37302065960398 78.960 11 Se 0.78078648581480 0.90356326922616 0.37302065960398 78.960 12 Se 0.71921351418520 0.09223417378918 0.12277678341136 78.960 13 Se 0.96945739037782 0.59643673077384 0.87722321658864 78.960 14 Se 0.53054260962218 0.40776582621082 0.62697934039602 78.960 15 Rb 0.12491478709855 0.25347973190710 0.37839451900564 85.468 16 Rb 0.37508521290145 0.75347973190710 0.12856494480855 85.468 17 Rb 0.62491478709855 0.24652026809290 0.87143505519145 85.468 18 Rb 0.87508521290145 0.74652026809290 0.62160548099435 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.912315959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.703102680000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.937241080000000 Atomic positions (fractional): 1 Mn 0.00000000000000 0.74630606880417 0.75000000000000 54.938 > 1 2 Mn 0.33333333333333 0.74630606880417 0.75000000000000 54.938 > 1 3 Mn 0.66666666666667 0.74630606880417 0.75000000000000 54.938 > 1 4 Mn 0.00000000000000 0.25369393119583 0.75000000000000 54.938 > 4 5 Mn 0.33333333333333 0.25369393119583 0.75000000000000 54.938 > 4 6 Mn 0.66666666666667 0.25369393119583 0.75000000000000 54.938 > 4 7 Mn 0.00000000000000 0.25369393119583 0.25000000000000 54.938 > 7 8 Mn 0.33333333333333 0.25369393119583 0.25000000000000 54.938 > 7 9 Mn 0.66666666666667 0.25369393119583 0.25000000000000 54.938 > 7 10 Mn 0.00000000000000 0.50000000000000 0.25000000000000 54.938 > 10 11 Mn 0.33333333333333 0.50000000000000 0.25000000000000 54.938 > 10 12 Mn 0.66666666666667 0.50000000000000 0.25000000000000 54.938 > 10 13 Mn 0.00000000000000 0.50000000000000 0.75000000000000 54.938 > 13 14 Mn 0.33333333333333 0.50000000000000 0.75000000000000 54.938 > 13 15 Mn 0.66666666666667 0.50000000000000 0.75000000000000 54.938 > 13 16 Mn 0.00000000000000 0.74630606880417 0.25000000000000 54.938 > 16 17 Mn 0.33333333333333 0.74630606880417 0.25000000000000 54.938 > 16 18 Mn 0.66666666666667 0.74630606880417 0.25000000000000 54.938 > 16 19 Mn 0.16666666666667 0.24630606880417 0.25000000000000 54.938 > 1 20 Mn 0.50000000000000 0.24630606880417 0.25000000000000 54.938 > 1 21 Mn 0.83333333333333 0.24630606880417 0.25000000000000 54.938 > 1 22 Mn 0.16666666666667 0.75369393119583 0.25000000000000 54.938 > 4 23 Mn 0.50000000000000 0.75369393119583 0.25000000000000 54.938 > 4 24 Mn 0.83333333333333 0.75369393119583 0.25000000000000 54.938 > 4 25 Mn 0.16666666666667 0.75369393119583 0.75000000000000 54.938 > 7 26 Mn 0.50000000000000 0.75369393119583 0.75000000000000 54.938 > 7 27 Mn 0.83333333333333 0.75369393119583 0.75000000000000 54.938 > 7 28 Mn 0.16666666666667 0.00000000000000 0.75000000000000 54.938 > 10 29 Mn 0.50000000000000 0.00000000000000 0.75000000000000 54.938 > 10 30 Mn 0.83333333333333 0.00000000000000 0.75000000000000 54.938 > 10 31 Mn 0.16666666666667 0.00000000000000 0.25000000000000 54.938 > 13 32 Mn 0.50000000000000 0.00000000000000 0.25000000000000 54.938 > 13 33 Mn 0.83333333333333 0.00000000000000 0.25000000000000 54.938 > 13 34 Mn 0.16666666666667 0.24630606880417 0.75000000000000 54.938 > 16 35 Mn 0.50000000000000 0.24630606880417 0.75000000000000 54.938 > 16 36 Mn 0.83333333333333 0.24630606880417 0.75000000000000 54.938 > 16 37 Se 0.08403375949744 0.37487806190369 0.84433545228151 78.960 > 37 38 Se 0.41736709283078 0.37487806190369 0.84433545228151 78.960 > 37 39 Se 0.75070042616411 0.37487806190369 0.84433545228151 78.960 > 37 40 Se 0.08403375949744 0.62512193809631 0.65566454771849 78.960 > 40 41 Se 0.41736709283078 0.62512193809631 0.65566454771849 78.960 > 40 42 Se 0.75070042616411 0.62512193809631 0.65566454771849 78.960 > 40 43 Se 0.24929957383589 0.37487806190369 0.65566454771849 78.960 > 43 44 Se 0.58263290716922 0.37487806190369 0.65566454771849 78.960 > 43 45 Se 0.91596624050256 0.37487806190369 0.65566454771849 78.960 > 43 46 Se 0.24929957383589 0.62512193809631 0.84433545228151 78.960 > 46 47 Se 0.58263290716922 0.62512193809631 0.84433545228151 78.960 > 46 48 Se 0.91596624050256 0.62512193809631 0.84433545228151 78.960 > 46 49 Se 0.24929957383589 0.62512193809631 0.15566454771849 78.960 > 49 50 Se 0.58263290716922 0.62512193809631 0.15566454771849 78.960 > 49 51 Se 0.91596624050256 0.62512193809631 0.15566454771849 78.960 > 49 52 Se 0.24929957383589 0.37487806190369 0.34433545228151 78.960 > 52 53 Se 0.58263290716922 0.37487806190369 0.34433545228151 78.960 > 52 54 Se 0.91596624050256 0.37487806190369 0.34433545228151 78.960 > 52 55 Se 0.08403375949744 0.62512193809631 0.34433545228151 78.960 > 55 56 Se 0.41736709283078 0.62512193809631 0.34433545228151 78.960 > 55 57 Se 0.75070042616411 0.62512193809631 0.34433545228151 78.960 > 55 58 Se 0.08403375949744 0.37487806190369 0.15566454771849 78.960 > 58 59 Se 0.41736709283078 0.37487806190369 0.15566454771849 78.960 > 58 60 Se 0.75070042616411 0.37487806190369 0.15566454771849 78.960 > 58 61 Se 0.25070042616411 0.87487806190369 0.34433545228151 78.960 > 37 62 Se 0.58403375949744 0.87487806190369 0.34433545228151 78.960 > 37 63 Se 0.91736709283078 0.87487806190369 0.34433545228151 78.960 > 37 64 Se 0.25070042616411 0.12512193809631 0.15566454771849 78.960 > 40 65 Se 0.58403375949744 0.12512193809631 0.15566454771849 78.960 > 40 66 Se 0.91736709283078 0.12512193809631 0.15566454771849 78.960 > 40 67 Se 0.08263290716922 0.87487806190369 0.15566454771849 78.960 > 43 68 Se 0.41596624050256 0.87487806190369 0.15566454771849 78.960 > 43 69 Se 0.74929957383589 0.87487806190369 0.15566454771849 78.960 > 43 70 Se 0.08263290716922 0.12512193809631 0.34433545228151 78.960 > 46 71 Se 0.41596624050256 0.12512193809631 0.34433545228151 78.960 > 46 72 Se 0.74929957383589 0.12512193809631 0.34433545228151 78.960 > 46 73 Se 0.08263290716922 0.12512193809631 0.65566454771849 78.960 > 49 74 Se 0.41596624050256 0.12512193809631 0.65566454771849 78.960 > 49 75 Se 0.74929957383589 0.12512193809631 0.65566454771849 78.960 > 49 76 Se 0.08263290716922 0.87487806190369 0.84433545228151 78.960 > 52 77 Se 0.41596624050256 0.87487806190369 0.84433545228151 78.960 > 52 78 Se 0.74929957383589 0.87487806190369 0.84433545228151 78.960 > 52 79 Se 0.25070042616411 0.12512193809631 0.84433545228151 78.960 > 55 80 Se 0.58403375949744 0.12512193809631 0.84433545228151 78.960 > 55 81 Se 0.91736709283078 0.12512193809631 0.84433545228151 78.960 > 55 82 Se 0.25070042616411 0.87487806190369 0.65566454771849 78.960 > 58 83 Se 0.58403375949744 0.87487806190369 0.65566454771849 78.960 > 58 84 Se 0.91736709283078 0.87487806190369 0.65566454771849 78.960 > 58 85 Rb 0.08449324396903 0.12491478709855 0.00000000000000 85.468 > 85 86 Rb 0.41782657730237 0.12491478709855 0.00000000000000 85.468 > 85 87 Rb 0.75115991063570 0.12491478709855 0.00000000000000 85.468 > 85 88 Rb 0.25115991063570 0.37508521290145 0.00000000000000 85.468 > 88 89 Rb 0.58449324396903 0.37508521290145 0.00000000000000 85.468 > 88 90 Rb 0.91782657730237 0.37508521290145 0.00000000000000 85.468 > 88 91 Rb 0.08217342269763 0.62491478709855 0.00000000000000 85.468 > 91 92 Rb 0.41550675603097 0.62491478709855 0.00000000000000 85.468 > 91 93 Rb 0.74884008936430 0.62491478709855 0.00000000000000 85.468 > 91 94 Rb 0.24884008936430 0.87508521290145 0.00000000000000 85.468 > 94 95 Rb 0.58217342269763 0.87508521290145 0.00000000000000 85.468 > 94 96 Rb 0.91550675603097 0.87508521290145 0.00000000000000 85.468 > 94 97 Rb 0.25115991063570 0.62491478709855 0.50000000000000 85.468 > 85 98 Rb 0.58449324396903 0.62491478709855 0.50000000000000 85.468 > 85 99 Rb 0.91782657730237 0.62491478709855 0.50000000000000 85.468 > 85 100 Rb 0.08449324396903 0.87508521290145 0.50000000000000 85.468 > 88 101 Rb 0.41782657730237 0.87508521290145 0.50000000000000 85.468 > 88 102 Rb 0.75115991063570 0.87508521290145 0.50000000000000 85.468 > 88 103 Rb 0.24884008936430 0.12491478709855 0.50000000000000 85.468 > 91 104 Rb 0.58217342269763 0.12491478709855 0.50000000000000 85.468 > 91 105 Rb 0.91550675603097 0.12491478709855 0.50000000000000 85.468 > 91 106 Rb 0.08217342269763 0.37508521290145 0.50000000000000 85.468 > 94 107 Rb 0.41550675603097 0.37508521290145 0.50000000000000 85.468 > 94 108 Rb 0.74884008936430 0.37508521290145 0.50000000000000 85.468 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 78.7304500 0.0000000 0.0000000 0.0000000 69.1440224 0.0000000 0.0000000 0.0000000 34.0324844 -------------------------- Born effective charges -------------------------- 1 Mn -3.6867681 0.0000000 1.5955177 0.0000000 -2.3268529 0.0000000 0.1453652 0.0000000 -0.8220799 2 Mn -3.6867681 0.0000000 -1.5955177 0.0000000 -2.3268529 0.0000000 -0.1453652 0.0000000 -0.8220799 3 Mn -3.6867681 0.0000000 1.5955177 0.0000000 -2.3268529 0.0000000 0.1453652 0.0000000 -0.8220799 4 Mn -1.3185551 0.0000000 0.0000000 0.0000000 -3.3789299 0.0000000 0.0000000 0.0000000 -1.4312142 5 Mn -1.3185551 0.0000000 0.0000000 0.0000000 -3.3789299 0.0000000 0.0000000 0.0000000 -1.4312142 6 Mn -3.6867681 0.0000000 -1.5955177 0.0000000 -2.3268529 0.0000000 -0.1453652 0.0000000 -0.8220799 7 Se 1.6563385 -0.6983304 1.3790944 -1.3900273 1.4439048 -1.0533317 -0.0112882 -0.1520968 -0.1270418 8 Se 1.6563385 0.6983304 -1.3790944 1.3900273 1.4439048 -1.0533317 0.0112882 -0.1520968 -0.1270418 9 Se 1.6563385 0.6983304 1.3790944 1.3900273 1.4439048 1.0533317 -0.0112882 0.1520968 -0.1270418 10 Se 1.6563385 -0.6983304 -1.3790944 -1.3900273 1.4439048 1.0533317 0.0112882 0.1520968 -0.1270418 11 Se 1.6563385 -0.6983304 1.3790944 -1.3900273 1.4439048 -1.0533317 -0.0112882 -0.1520968 -0.1270418 12 Se 1.6563385 0.6983304 -1.3790944 1.3900273 1.4439048 -1.0533317 0.0112882 -0.1520968 -0.1270418 13 Se 1.6563385 0.6983304 1.3790944 1.3900273 1.4439048 1.0533317 -0.0112882 0.1520968 -0.1270418 14 Se 1.6563385 -0.6983304 -1.3790944 -1.3900273 1.4439048 1.0533317 0.0112882 0.1520968 -0.1270418 15 Rb 1.0333685 0.0183568 0.0000000 -0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 16 Rb 1.0333685 -0.0183568 0.0000000 0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 17 Rb 1.0333685 -0.0183568 0.0000000 0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 18 Rb 1.0333685 0.0183568 0.0000000 -0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 10, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzy) -0.00000000 (xzy) -0.00000000 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:59:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:59:52]------------------------- 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): [3 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.652052660000000 5.351551340000001 6.968620540000000 b 2.652052660000000 -5.351551340000001 6.968620540000000 c 2.652052660000000 5.351551340000001 -6.968620540000000 Atomic positions (fractional): 1 Mn 0.49630606880417 0.75000000000000 0.74630606880417 54.938 2 Mn 0.00369393119583 0.75000000000000 0.25369393119583 54.938 3 Mn 0.50369393119583 0.25000000000000 0.25369393119583 54.938 4 Mn 0.75000000000000 0.25000000000000 0.50000000000000 54.938 5 Mn 0.25000000000000 0.75000000000000 0.50000000000000 54.938 6 Mn 0.99630606880417 0.25000000000000 0.74630606880417 54.938 7 Se 0.21921351418520 0.09643673077384 0.62697934039602 78.960 8 Se 0.28078648581480 0.90776582621082 0.87722321658864 78.960 9 Se 0.03054260962218 0.40356326922616 0.12277678341136 78.960 10 Se 0.46945739037782 0.59223417378918 0.37302065960398 78.960 11 Se 0.78078648581480 0.90356326922616 0.37302065960398 78.960 12 Se 0.71921351418520 0.09223417378918 0.12277678341136 78.960 13 Se 0.96945739037782 0.59643673077384 0.87722321658864 78.960 14 Se 0.53054260962218 0.40776582621082 0.62697934039602 78.960 15 Rb 0.12491478709855 0.25347973190710 0.37839451900564 85.468 16 Rb 0.37508521290145 0.75347973190710 0.12856494480855 85.468 17 Rb 0.62491478709855 0.24652026809290 0.87143505519145 85.468 18 Rb 0.87508521290145 0.74652026809290 0.62160548099435 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.912315959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.703102680000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.937241080000000 Atomic positions (fractional): 1 Mn 0.00000000000000 0.74630606880417 0.75000000000000 54.938 > 1 2 Mn 0.33333333333333 0.74630606880417 0.75000000000000 54.938 > 1 3 Mn 0.66666666666667 0.74630606880417 0.75000000000000 54.938 > 1 4 Mn 0.00000000000000 0.25369393119583 0.75000000000000 54.938 > 4 5 Mn 0.33333333333333 0.25369393119583 0.75000000000000 54.938 > 4 6 Mn 0.66666666666667 0.25369393119583 0.75000000000000 54.938 > 4 7 Mn 0.00000000000000 0.25369393119583 0.25000000000000 54.938 > 7 8 Mn 0.33333333333333 0.25369393119583 0.25000000000000 54.938 > 7 9 Mn 0.66666666666667 0.25369393119583 0.25000000000000 54.938 > 7 10 Mn 0.00000000000000 0.50000000000000 0.25000000000000 54.938 > 10 11 Mn 0.33333333333333 0.50000000000000 0.25000000000000 54.938 > 10 12 Mn 0.66666666666667 0.50000000000000 0.25000000000000 54.938 > 10 13 Mn 0.00000000000000 0.50000000000000 0.75000000000000 54.938 > 13 14 Mn 0.33333333333333 0.50000000000000 0.75000000000000 54.938 > 13 15 Mn 0.66666666666667 0.50000000000000 0.75000000000000 54.938 > 13 16 Mn 0.00000000000000 0.74630606880417 0.25000000000000 54.938 > 16 17 Mn 0.33333333333333 0.74630606880417 0.25000000000000 54.938 > 16 18 Mn 0.66666666666667 0.74630606880417 0.25000000000000 54.938 > 16 19 Mn 0.16666666666667 0.24630606880417 0.25000000000000 54.938 > 1 20 Mn 0.50000000000000 0.24630606880417 0.25000000000000 54.938 > 1 21 Mn 0.83333333333333 0.24630606880417 0.25000000000000 54.938 > 1 22 Mn 0.16666666666667 0.75369393119583 0.25000000000000 54.938 > 4 23 Mn 0.50000000000000 0.75369393119583 0.25000000000000 54.938 > 4 24 Mn 0.83333333333333 0.75369393119583 0.25000000000000 54.938 > 4 25 Mn 0.16666666666667 0.75369393119583 0.75000000000000 54.938 > 7 26 Mn 0.50000000000000 0.75369393119583 0.75000000000000 54.938 > 7 27 Mn 0.83333333333333 0.75369393119583 0.75000000000000 54.938 > 7 28 Mn 0.16666666666667 0.00000000000000 0.75000000000000 54.938 > 10 29 Mn 0.50000000000000 0.00000000000000 0.75000000000000 54.938 > 10 30 Mn 0.83333333333333 0.00000000000000 0.75000000000000 54.938 > 10 31 Mn 0.16666666666667 0.00000000000000 0.25000000000000 54.938 > 13 32 Mn 0.50000000000000 0.00000000000000 0.25000000000000 54.938 > 13 33 Mn 0.83333333333333 0.00000000000000 0.25000000000000 54.938 > 13 34 Mn 0.16666666666667 0.24630606880417 0.75000000000000 54.938 > 16 35 Mn 0.50000000000000 0.24630606880417 0.75000000000000 54.938 > 16 36 Mn 0.83333333333333 0.24630606880417 0.75000000000000 54.938 > 16 37 Se 0.08403375949744 0.37487806190369 0.84433545228151 78.960 > 37 38 Se 0.41736709283078 0.37487806190369 0.84433545228151 78.960 > 37 39 Se 0.75070042616411 0.37487806190369 0.84433545228151 78.960 > 37 40 Se 0.08403375949744 0.62512193809631 0.65566454771849 78.960 > 40 41 Se 0.41736709283078 0.62512193809631 0.65566454771849 78.960 > 40 42 Se 0.75070042616411 0.62512193809631 0.65566454771849 78.960 > 40 43 Se 0.24929957383589 0.37487806190369 0.65566454771849 78.960 > 43 44 Se 0.58263290716922 0.37487806190369 0.65566454771849 78.960 > 43 45 Se 0.91596624050256 0.37487806190369 0.65566454771849 78.960 > 43 46 Se 0.24929957383589 0.62512193809631 0.84433545228151 78.960 > 46 47 Se 0.58263290716922 0.62512193809631 0.84433545228151 78.960 > 46 48 Se 0.91596624050256 0.62512193809631 0.84433545228151 78.960 > 46 49 Se 0.24929957383589 0.62512193809631 0.15566454771849 78.960 > 49 50 Se 0.58263290716922 0.62512193809631 0.15566454771849 78.960 > 49 51 Se 0.91596624050256 0.62512193809631 0.15566454771849 78.960 > 49 52 Se 0.24929957383589 0.37487806190369 0.34433545228151 78.960 > 52 53 Se 0.58263290716922 0.37487806190369 0.34433545228151 78.960 > 52 54 Se 0.91596624050256 0.37487806190369 0.34433545228151 78.960 > 52 55 Se 0.08403375949744 0.62512193809631 0.34433545228151 78.960 > 55 56 Se 0.41736709283078 0.62512193809631 0.34433545228151 78.960 > 55 57 Se 0.75070042616411 0.62512193809631 0.34433545228151 78.960 > 55 58 Se 0.08403375949744 0.37487806190369 0.15566454771849 78.960 > 58 59 Se 0.41736709283078 0.37487806190369 0.15566454771849 78.960 > 58 60 Se 0.75070042616411 0.37487806190369 0.15566454771849 78.960 > 58 61 Se 0.25070042616411 0.87487806190369 0.34433545228151 78.960 > 37 62 Se 0.58403375949744 0.87487806190369 0.34433545228151 78.960 > 37 63 Se 0.91736709283078 0.87487806190369 0.34433545228151 78.960 > 37 64 Se 0.25070042616411 0.12512193809631 0.15566454771849 78.960 > 40 65 Se 0.58403375949744 0.12512193809631 0.15566454771849 78.960 > 40 66 Se 0.91736709283078 0.12512193809631 0.15566454771849 78.960 > 40 67 Se 0.08263290716922 0.87487806190369 0.15566454771849 78.960 > 43 68 Se 0.41596624050256 0.87487806190369 0.15566454771849 78.960 > 43 69 Se 0.74929957383589 0.87487806190369 0.15566454771849 78.960 > 43 70 Se 0.08263290716922 0.12512193809631 0.34433545228151 78.960 > 46 71 Se 0.41596624050256 0.12512193809631 0.34433545228151 78.960 > 46 72 Se 0.74929957383589 0.12512193809631 0.34433545228151 78.960 > 46 73 Se 0.08263290716922 0.12512193809631 0.65566454771849 78.960 > 49 74 Se 0.41596624050256 0.12512193809631 0.65566454771849 78.960 > 49 75 Se 0.74929957383589 0.12512193809631 0.65566454771849 78.960 > 49 76 Se 0.08263290716922 0.87487806190369 0.84433545228151 78.960 > 52 77 Se 0.41596624050256 0.87487806190369 0.84433545228151 78.960 > 52 78 Se 0.74929957383589 0.87487806190369 0.84433545228151 78.960 > 52 79 Se 0.25070042616411 0.12512193809631 0.84433545228151 78.960 > 55 80 Se 0.58403375949744 0.12512193809631 0.84433545228151 78.960 > 55 81 Se 0.91736709283078 0.12512193809631 0.84433545228151 78.960 > 55 82 Se 0.25070042616411 0.87487806190369 0.65566454771849 78.960 > 58 83 Se 0.58403375949744 0.87487806190369 0.65566454771849 78.960 > 58 84 Se 0.91736709283078 0.87487806190369 0.65566454771849 78.960 > 58 85 Rb 0.08449324396903 0.12491478709855 0.00000000000000 85.468 > 85 86 Rb 0.41782657730237 0.12491478709855 0.00000000000000 85.468 > 85 87 Rb 0.75115991063570 0.12491478709855 0.00000000000000 85.468 > 85 88 Rb 0.25115991063570 0.37508521290145 0.00000000000000 85.468 > 88 89 Rb 0.58449324396903 0.37508521290145 0.00000000000000 85.468 > 88 90 Rb 0.91782657730237 0.37508521290145 0.00000000000000 85.468 > 88 91 Rb 0.08217342269763 0.62491478709855 0.00000000000000 85.468 > 91 92 Rb 0.41550675603097 0.62491478709855 0.00000000000000 85.468 > 91 93 Rb 0.74884008936430 0.62491478709855 0.00000000000000 85.468 > 91 94 Rb 0.24884008936430 0.87508521290145 0.00000000000000 85.468 > 94 95 Rb 0.58217342269763 0.87508521290145 0.00000000000000 85.468 > 94 96 Rb 0.91550675603097 0.87508521290145 0.00000000000000 85.468 > 94 97 Rb 0.25115991063570 0.62491478709855 0.50000000000000 85.468 > 85 98 Rb 0.58449324396903 0.62491478709855 0.50000000000000 85.468 > 85 99 Rb 0.91782657730237 0.62491478709855 0.50000000000000 85.468 > 85 100 Rb 0.08449324396903 0.87508521290145 0.50000000000000 85.468 > 88 101 Rb 0.41782657730237 0.87508521290145 0.50000000000000 85.468 > 88 102 Rb 0.75115991063570 0.87508521290145 0.50000000000000 85.468 > 88 103 Rb 0.24884008936430 0.12491478709855 0.50000000000000 85.468 > 91 104 Rb 0.58217342269763 0.12491478709855 0.50000000000000 85.468 > 91 105 Rb 0.91550675603097 0.12491478709855 0.50000000000000 85.468 > 91 106 Rb 0.08217342269763 0.37508521290145 0.50000000000000 85.468 > 94 107 Rb 0.41550675603097 0.37508521290145 0.50000000000000 85.468 > 94 108 Rb 0.74884008936430 0.37508521290145 0.50000000000000 85.468 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 78.7304500 0.0000000 0.0000000 0.0000000 69.1440224 0.0000000 0.0000000 0.0000000 34.0324844 -------------------------- Born effective charges -------------------------- 1 Mn -3.6867681 0.0000000 1.5955177 0.0000000 -2.3268529 0.0000000 0.1453652 0.0000000 -0.8220799 2 Mn -3.6867681 0.0000000 -1.5955177 0.0000000 -2.3268529 0.0000000 -0.1453652 0.0000000 -0.8220799 3 Mn -3.6867681 0.0000000 1.5955177 0.0000000 -2.3268529 0.0000000 0.1453652 0.0000000 -0.8220799 4 Mn -1.3185551 0.0000000 0.0000000 0.0000000 -3.3789299 0.0000000 0.0000000 0.0000000 -1.4312142 5 Mn -1.3185551 0.0000000 0.0000000 0.0000000 -3.3789299 0.0000000 0.0000000 0.0000000 -1.4312142 6 Mn -3.6867681 0.0000000 -1.5955177 0.0000000 -2.3268529 0.0000000 -0.1453652 0.0000000 -0.8220799 7 Se 1.6563385 -0.6983304 1.3790944 -1.3900273 1.4439048 -1.0533317 -0.0112882 -0.1520968 -0.1270418 8 Se 1.6563385 0.6983304 -1.3790944 1.3900273 1.4439048 -1.0533317 0.0112882 -0.1520968 -0.1270418 9 Se 1.6563385 0.6983304 1.3790944 1.3900273 1.4439048 1.0533317 -0.0112882 0.1520968 -0.1270418 10 Se 1.6563385 -0.6983304 -1.3790944 -1.3900273 1.4439048 1.0533317 0.0112882 0.1520968 -0.1270418 11 Se 1.6563385 -0.6983304 1.3790944 -1.3900273 1.4439048 -1.0533317 -0.0112882 -0.1520968 -0.1270418 12 Se 1.6563385 0.6983304 -1.3790944 1.3900273 1.4439048 -1.0533317 0.0112882 -0.1520968 -0.1270418 13 Se 1.6563385 0.6983304 1.3790944 1.3900273 1.4439048 1.0533317 -0.0112882 0.1520968 -0.1270418 14 Se 1.6563385 -0.6983304 -1.3790944 -1.3900273 1.4439048 1.0533317 0.0112882 0.1520968 -0.1270418 15 Rb 1.0333685 0.0183568 0.0000000 -0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 16 Rb 1.0333685 -0.0183568 0.0000000 0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 17 Rb 1.0333685 -0.0183568 0.0000000 0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 18 Rb 1.0333685 0.0183568 0.0000000 -0.0604583 1.1285082 0.0000000 0.0000000 0.0000000 1.7917704 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzy) -0.00000000 (xzy) -0.00000000 (xyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 1 360 ] Grid generation matrix: [ 0 9 9 ] [ 5 0 5 ] [ 4 4 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 283, Lambda: 0.46 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.984 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.846 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.100 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.073 ( 0.000 0.000 0.000) 0.000 9.075 ( 0.000 0.000 0.000) 0.000 9.198 ( 0.000 0.000 0.000) 0.000 9.255 ( 0.000 0.000 0.000) 0.000 9.824 ( 0.000 0.000 0.000) 0.000 9.842 ( 0.000 0.000 0.000) 0.000 9.962 ( 0.000 0.000 0.000) 0.000 9.968 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.154 ( 0.000 0.000 0.000) 0.000 10.404 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.20 -0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 2.930 2.723 -5.919) 7.144 1.629 ( -0.553 1.568 6.303) 6.519 1.841 ( -4.264 -6.682 -7.503) 10.914 1.878 ( -17.166 2.154 2.964) 17.553 1.982 ( -1.958 -0.354 -0.884) 2.177 2.032 ( 1.261 -2.647 -1.807) 3.444 2.080 ( 1.483 1.338 0.217) 2.009 2.159 ( 5.593 0.502 -1.803) 5.898 2.179 ( 1.402 2.970 -0.004) 3.285 2.250 ( 3.247 -1.248 0.042) 3.479 2.341 ( 4.019 -1.314 -0.988) 4.342 2.379 ( 4.805 1.731 0.593) 5.142 2.442 ( 0.524 0.468 2.622) 2.714 2.466 ( 0.878 0.380 -2.669) 2.835 2.590 ( -0.155 -3.539 -2.327) 4.238 2.624 ( 2.085 0.440 -1.192) 2.442 2.783 ( 1.470 0.545 8.392) 8.537 2.795 ( -0.070 -2.621 -0.023) 2.622 2.829 ( 4.553 -0.979 6.697) 8.157 2.902 ( 5.700 1.221 3.903) 7.015 3.132 ( -3.013 0.454 -5.902) 6.642 3.187 ( -2.274 2.187 1.119) 3.348 3.236 ( -10.493 -2.729 -0.490) 10.853 3.296 ( -6.048 -2.677 -2.719) 7.151 3.414 ( -1.411 -0.625 1.263) 1.994 3.454 ( -0.567 2.146 0.066) 2.221 3.704 ( 12.474 0.435 1.237) 12.543 3.730 ( 11.680 -0.036 1.193) 11.741 4.561 ( -3.266 0.576 2.639) 4.238 4.575 ( 7.661 -0.584 -1.210) 7.778 5.619 ( -8.379 1.667 -0.023) 8.543 5.740 ( 2.311 -2.699 -0.401) 3.576 6.069 ( -1.203 -0.914 0.464) 1.580 6.165 ( 7.375 -3.410 0.040) 8.125 6.220 ( -3.798 5.184 0.513) 6.447 6.302 ( 4.278 2.401 -0.434) 4.925 7.952 ( -4.561 -6.330 0.153) 7.804 8.070 ( 6.468 -9.451 -0.039) 11.453 8.347 ( -5.235 11.179 0.023) 12.344 8.456 ( 5.558 9.888 -0.199) 11.345 8.937 ( -8.114 -3.108 0.616) 8.711 8.967 ( -7.589 -6.318 -0.091) 9.875 9.154 ( 3.914 0.952 -0.260) 4.037 9.214 ( 4.391 -2.205 -0.139) 4.916 9.328 ( -4.102 1.668 1.377) 4.637 9.345 ( -0.292 -3.010 -1.500) 3.376 9.517 ( 1.828 4.755 -1.244) 5.243 9.705 ( 7.198 0.729 3.684) 8.119 9.796 ( -3.873 0.009 -2.472) 4.594 9.819 ( -1.393 -0.279 -0.051) 1.421 9.864 ( 5.193 -0.504 -0.679) 5.261 10.035 ( -1.862 -1.609 2.002) 3.172 10.088 ( 1.647 1.035 1.509) 2.462 10.134 ( 4.949 -0.881 -0.372) 5.041 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.39 0.11 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 6.506 11.603 7.997) 15.521 1.211 ( 8.772 9.846 12.733) 18.331 1.322 ( 3.105 -12.867 -2.178) 13.414 1.469 ( 5.863 -13.244 -10.157) 17.690 1.902 ( 5.910 15.946 5.730) 17.946 2.040 ( -4.602 -0.588 6.872) 8.292 2.186 ( 2.344 0.901 -4.161) 4.860 2.277 ( 1.651 -1.478 -2.624) 3.434 2.333 ( -1.912 -0.701 -1.410) 2.477 2.368 ( -1.619 4.489 -1.092) 4.895 2.409 ( -0.955 0.368 0.087) 1.027 2.435 ( 0.221 -1.615 -1.722) 2.371 2.482 ( -1.485 -6.560 3.374) 7.525 2.519 ( -0.548 -0.345 -1.500) 1.634 2.580 ( 0.075 0.353 -3.148) 3.169 2.667 ( -1.270 -3.299 0.139) 3.538 2.720 ( 0.371 2.399 -0.354) 2.453 2.778 ( 3.380 -4.316 1.377) 5.652 2.915 ( -0.117 4.019 -1.555) 4.311 2.974 ( 1.941 -1.294 -1.850) 2.977 3.120 ( -9.371 3.597 3.998) 10.804 3.204 ( -10.988 -4.832 -2.752) 12.315 3.430 ( -0.126 3.539 4.517) 5.740 3.457 ( -6.503 0.112 -1.628) 6.705 3.515 ( -5.515 -1.684 2.705) 6.369 3.545 ( -0.231 -3.854 -2.343) 4.517 4.074 ( -0.592 0.270 3.929) 3.983 4.088 ( 0.376 -0.968 -2.869) 3.051 4.684 ( -4.124 10.916 2.115) 11.859 4.840 ( -4.633 -5.564 -1.633) 7.422 5.042 ( 10.388 7.315 1.277) 12.769 5.221 ( 8.927 -11.376 -1.372) 14.526 6.128 ( 0.828 11.108 -3.857) 11.788 6.325 ( 0.030 -9.644 3.359) 10.213 6.555 ( -6.067 0.343 -1.018) 6.161 6.565 ( -4.735 -0.751 0.216) 4.799 8.055 ( 3.309 0.204 -0.729) 3.394 8.063 ( 0.465 -0.468 0.734) 0.987 8.242 ( -0.987 12.589 -1.646) 12.734 8.497 ( -3.506 -13.834 2.735) 14.531 8.658 ( 1.041 7.832 -0.343) 7.908 8.806 ( 0.828 -7.583 0.377) 7.637 9.093 ( -0.218 1.049 0.094) 1.076 9.107 ( -0.418 -0.250 -0.250) 0.547 9.271 ( 2.248 2.253 -0.192) 3.188 9.309 ( 2.862 -1.300 2.389) 3.948 9.631 ( -0.303 8.332 1.708) 8.511 9.742 ( -2.196 -3.116 -1.803) 4.217 9.812 ( 2.349 -1.994 2.686) 4.087 9.831 ( -0.733 -3.173 -1.978) 3.810 10.026 ( 1.902 1.401 -1.390) 2.741 10.054 ( -1.789 -1.484 0.873) 2.483 10.218 ( -2.083 4.932 0.368) 5.367 10.300 ( -2.153 -3.666 -0.304) 4.262 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.59 -0.34 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 3.476 -8.526 3.463) 9.837 1.520 ( -5.310 -5.527 1.010) 7.731 1.674 ( -6.746 6.805 1.902) 9.769 1.741 ( -2.078 -0.474 2.898) 3.597 1.818 ( -11.213 8.990 -4.078) 14.940 1.935 ( -6.668 1.385 2.680) 7.319 2.144 ( 1.756 0.352 3.144) 3.618 2.189 ( 3.087 -3.499 -0.739) 4.724 2.252 ( 2.732 -1.840 -2.179) 3.949 2.297 ( 4.735 -3.095 1.122) 5.767 2.374 ( 1.630 -0.223 -2.080) 2.652 2.413 ( 2.093 1.037 0.122) 2.339 2.500 ( 4.076 3.696 2.560) 6.069 2.546 ( 1.605 -2.636 -0.552) 3.135 2.614 ( 2.702 -1.356 4.335) 5.285 2.634 ( 0.097 0.310 -3.434) 3.450 2.658 ( 0.216 -3.328 -2.649) 4.259 2.752 ( 5.256 -0.689 0.165) 5.304 2.808 ( -3.735 4.125 5.184) 7.605 2.946 ( -5.860 -6.182 -3.510) 9.213 3.003 ( -1.837 1.764 -0.475) 2.591 3.075 ( -0.635 -3.808 1.452) 4.125 3.132 ( -2.186 -0.228 -0.425) 2.239 3.284 ( 1.132 2.510 -1.293) 3.042 3.428 ( 1.771 1.386 2.297) 3.215 3.478 ( 2.542 -3.079 -1.015) 4.120 3.895 ( 8.036 -0.490 1.004) 8.113 3.940 ( 9.660 -0.197 -0.811) 9.696 4.542 ( 3.446 -7.451 0.659) 8.236 4.652 ( 2.470 3.741 0.294) 4.492 5.482 ( -8.641 -3.741 0.044) 9.416 5.583 ( -8.215 6.230 -0.010) 10.310 6.180 ( 7.430 -4.537 0.364) 8.713 6.200 ( -3.092 -6.386 1.535) 7.259 6.268 ( 8.061 3.397 -0.061) 8.748 6.376 ( 0.496 4.297 -1.356) 4.533 7.909 ( 3.460 -3.941 0.281) 5.252 8.028 ( 4.981 7.273 -0.057) 8.816 8.455 ( -6.795 -11.043 -0.035) 12.966 8.634 ( -9.474 4.533 -0.378) 10.509 8.700 ( -3.458 0.989 0.772) 3.679 8.711 ( 3.711 1.639 -0.199) 4.061 9.121 ( -3.439 -2.264 1.093) 4.260 9.180 ( -2.105 1.493 -0.163) 2.585 9.329 ( 3.471 2.105 0.492) 4.089 9.340 ( -0.397 -0.413 -0.729) 0.928 9.620 ( 0.841 1.742 2.419) 3.097 9.648 ( -0.999 -5.216 -1.227) 5.451 9.842 ( 2.573 -0.197 -0.103) 2.582 9.853 ( -2.007 0.472 -1.405) 2.495 9.925 ( 2.875 -0.449 1.528) 3.286 10.019 ( 4.562 0.676 -1.144) 4.751 10.147 ( 2.896 -2.719 -0.159) 3.976 10.187 ( 2.016 2.231 0.124) 3.009 ======================= Grid point 4 (5/75) ======================= q-point: (-0.21 0.21 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 20.608 -9.015 -0.000) 22.494 1.061 ( 16.767 -4.867 -0.000) 17.459 1.663 ( -1.474 8.435 0.000) 8.563 1.723 ( -1.714 3.588 0.000) 3.977 1.729 ( 28.328 -10.575 -0.000) 30.237 2.054 ( -2.631 4.841 0.000) 5.510 2.160 ( -3.070 -6.945 -0.000) 7.593 2.222 ( -2.015 4.991 0.000) 5.382 2.251 ( 4.263 2.184 -0.000) 4.789 2.309 ( -5.937 -4.914 0.000) 7.707 2.423 ( -0.341 2.048 0.000) 2.077 2.457 ( -5.281 6.031 0.000) 8.016 2.547 ( 1.020 1.108 -0.000) 1.506 2.601 ( -8.135 0.034 0.000) 8.135 2.615 ( 2.144 -3.885 -0.000) 4.437 2.685 ( 2.674 1.671 -0.000) 3.153 2.734 ( -4.730 2.284 0.000) 5.252 2.768 ( 0.085 -4.069 -0.000) 4.070 2.939 ( 0.599 1.699 0.000) 1.802 2.957 ( 0.733 3.051 0.000) 3.138 3.109 ( -0.861 -4.092 -0.000) 4.182 3.170 ( -7.284 3.091 0.000) 7.913 3.310 ( 3.401 1.647 -0.000) 3.779 3.317 ( -3.435 -0.115 0.000) 3.437 3.343 ( -7.075 2.173 0.000) 7.402 3.596 ( -2.571 0.137 0.000) 2.575 3.982 ( -0.342 1.153 0.000) 1.202 4.129 ( -4.234 0.321 0.000) 4.247 4.457 ( 2.704 -6.188 -0.000) 6.753 4.868 ( -4.603 2.411 0.000) 5.196 5.168 ( 13.518 -3.209 -0.000) 13.894 5.606 ( 5.716 10.643 0.000) 12.081 6.016 ( 1.510 -10.803 -0.000) 10.908 6.397 ( -1.384 5.343 0.000) 5.519 6.427 ( -9.352 -0.133 0.000) 9.352 6.473 ( -6.136 1.960 0.000) 6.441 7.935 ( -3.223 -3.656 -0.000) 4.874 8.164 ( 3.510 -5.908 -0.000) 6.872 8.176 ( 3.883 2.554 -0.000) 4.648 8.583 ( -1.811 8.201 0.000) 8.399 8.615 ( 5.274 -2.680 -0.000) 5.916 8.813 ( -4.800 -1.818 0.000) 5.132 9.104 ( 1.806 -0.566 -0.000) 1.893 9.181 ( 3.752 4.907 0.000) 6.177 9.277 ( 2.024 -0.975 -0.000) 2.246 9.356 ( 5.349 -0.083 -0.000) 5.350 9.466 ( 1.771 -5.413 -0.000) 5.695 9.809 ( 1.527 2.738 0.000) 3.135 9.834 ( -4.964 -0.089 0.000) 4.965 9.881 ( 0.233 4.047 0.000) 4.053 10.023 ( 0.901 -1.103 -0.000) 1.424 10.075 ( -2.907 -4.909 -0.000) 5.705 10.098 ( 0.133 1.120 0.000) 1.128 10.298 ( -3.330 1.902 0.000) 3.835 ======================= Grid point 5 (6/75) ======================= q-point: (-0.01 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -19.516 -0.000 -2.628) 19.692 1.094 ( -15.745 -0.000 -7.590) 17.479 1.659 ( -18.167 -0.000 -2.546) 18.345 1.774 ( -5.699 -0.000 -2.844) 6.369 1.835 ( -2.038 0.000 -3.108) 3.717 2.006 ( -1.113 -0.000 -1.417) 1.802 2.152 ( 3.548 0.000 4.172) 5.477 2.158 ( 1.769 0.000 0.734) 1.915 2.240 ( 2.567 0.000 -1.243) 2.852 2.371 ( 1.671 0.000 -0.519) 1.750 2.463 ( 2.014 -0.000 8.163) 8.408 2.466 ( -2.145 -0.000 2.963) 3.657 2.499 ( -0.655 -0.000 3.003) 3.074 2.534 ( 9.889 0.000 0.392) 9.897 2.602 ( -3.245 -0.000 0.234) 3.254 2.698 ( -2.631 -0.000 0.982) 2.808 2.712 ( 1.307 0.000 -1.878) 2.288 2.815 ( 7.167 0.000 -3.981) 8.198 2.934 ( -2.294 -0.000 1.763) 2.893 3.028 ( -4.928 -0.000 -2.720) 5.629 3.057 ( 4.364 0.000 -0.577) 4.402 3.177 ( 11.728 0.000 1.586) 11.834 3.289 ( -0.824 -0.000 4.318) 4.396 3.311 ( 0.326 -0.000 1.265) 1.306 3.372 ( 7.856 0.000 -0.638) 7.882 3.590 ( 3.243 0.000 0.690) 3.316 4.019 ( 1.688 0.000 -2.075) 2.675 4.119 ( 4.337 0.000 1.344) 4.541 4.382 ( -4.211 -0.000 0.908) 4.308 4.874 ( 4.191 0.000 1.563) 4.473 5.147 ( -13.710 -0.000 -0.972) 13.744 5.796 ( -7.798 -0.000 -0.174) 7.800 5.811 ( 0.067 -0.000 1.886) 1.887 6.403 ( 9.969 0.000 2.426) 10.260 6.449 ( 3.256 0.000 -0.169) 3.260 6.507 ( 5.253 0.000 -1.379) 5.431 7.896 ( 0.431 0.000 0.155) 0.458 8.109 ( -0.293 -0.000 -0.150) 0.329 8.195 ( -5.880 -0.000 0.499) 5.901 8.585 ( -6.783 -0.000 0.539) 6.805 8.711 ( 9.322 0.000 -0.438) 9.333 8.767 ( 0.617 0.000 -2.401) 2.479 9.088 ( -1.351 -0.000 0.992) 1.676 9.257 ( -4.076 -0.000 -0.185) 4.080 9.273 ( -2.172 -0.000 -0.318) 2.195 9.365 ( -5.185 -0.000 -1.087) 5.298 9.388 ( -3.688 -0.000 0.154) 3.691 9.835 ( 0.292 -0.000 1.031) 1.072 9.840 ( 5.231 0.000 -0.398) 5.246 9.953 ( -3.000 -0.000 -2.135) 3.682 9.985 ( 1.150 -0.000 3.718) 3.892 10.000 ( 4.290 0.000 -0.505) 4.320 10.105 ( -1.345 -0.000 0.489) 1.431 10.314 ( 3.548 0.000 0.292) 3.560 ======================= Grid point 6 (7/75) ======================= q-point: ( 0.18 0.32 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 12.260 1.852 1.153) 12.453 1.469 ( 7.623 3.416 -1.622) 8.509 1.583 ( -3.826 7.771 -2.801) 9.104 1.877 ( 8.613 -7.674 8.236) 14.174 1.899 ( 1.667 -6.203 -3.507) 7.318 2.061 ( -1.422 -1.871 0.626) 2.432 2.119 ( -0.136 -0.310 -1.435) 1.474 2.221 ( -2.797 -0.435 -6.609) 7.189 2.270 ( -4.902 2.475 -2.802) 6.165 2.300 ( -2.293 0.333 0.432) 2.357 2.367 ( -0.516 4.338 0.790) 4.440 2.396 ( -1.982 -2.772 1.927) 3.914 2.490 ( 1.652 2.584 4.300) 5.282 2.511 ( 3.229 -5.356 -0.683) 6.291 2.568 ( 9.278 2.610 -0.936) 9.684 2.629 ( -3.560 -2.170 -1.069) 4.304 2.727 ( -4.575 -3.243 -0.269) 5.614 2.773 ( -6.542 0.802 -5.884) 8.835 2.808 ( -2.934 5.147 -0.525) 5.948 2.942 ( -3.259 0.899 -4.479) 5.612 3.043 ( 4.482 -1.596 -3.745) 6.055 3.092 ( 0.406 2.908 0.778) 3.038 3.127 ( 2.796 -5.784 -0.136) 6.426 3.300 ( -0.051 -1.633 0.638) 1.754 3.374 ( -0.074 4.272 1.046) 4.399 3.488 ( -3.262 -0.095 -1.800) 3.727 3.921 ( -10.136 -0.060 -1.999) 10.331 3.937 ( -8.220 -0.851 0.455) 8.277 4.453 ( 1.061 4.595 -2.813) 5.492 4.721 ( -5.199 -2.191 -0.838) 5.704 5.428 ( 10.111 1.837 0.348) 10.282 5.710 ( 4.923 -7.078 -0.067) 8.622 6.064 ( 3.542 7.144 0.154) 7.975 6.169 ( -6.582 2.409 -3.364) 7.774 6.328 ( -7.073 -2.920 -0.065) 7.652 6.401 ( -3.723 -1.357 1.641) 4.289 7.894 ( 0.421 -1.416 -0.325) 1.513 8.177 ( -2.960 -7.833 -0.267) 8.378 8.248 ( 4.303 10.010 0.079) 10.896 8.572 ( -3.976 4.994 0.648) 6.416 8.736 ( 8.199 -0.489 -1.212) 8.303 8.809 ( 4.143 -4.681 0.726) 6.293 9.120 ( 4.373 0.960 -2.135) 4.960 9.226 ( -0.484 -3.169 -0.046) 3.206 9.323 ( 2.318 -1.063 1.052) 2.759 9.373 ( -3.524 -1.330 -0.191) 3.771 9.529 ( 2.054 5.253 0.602) 5.672 9.725 ( -2.829 -2.537 -4.439) 5.843 9.811 ( -0.017 0.515 2.355) 2.411 9.833 ( -3.295 1.410 -1.071) 3.740 9.962 ( 0.867 -0.845 -1.042) 1.597 10.023 ( -6.233 -0.993 0.392) 6.324 10.097 ( -0.405 2.040 0.029) 2.080 10.224 ( -3.230 -1.259 -0.276) 3.478 ======================= Grid point 7 (8/75) ======================= q-point: ( 0.38 -0.13 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -8.987 17.653 1.939) 19.904 1.014 ( -10.606 14.449 7.617) 19.475 1.420 ( -1.192 -9.467 -8.368) 12.691 1.667 ( -5.029 -8.095 -9.720) 13.613 1.730 ( -11.058 21.662 8.586) 25.792 1.857 ( 1.925 -3.299 11.533) 12.149 2.179 ( 2.926 -7.118 10.285) 12.846 2.298 ( 1.490 -1.212 -5.534) 5.858 2.367 ( -0.069 3.499 -0.380) 3.520 2.392 ( -0.180 3.152 -2.734) 4.176 2.418 ( 0.857 -0.786 -0.628) 1.322 2.436 ( 2.090 -4.735 1.633) 5.427 2.497 ( 2.511 3.084 -4.193) 5.779 2.564 ( 0.612 -1.629 0.520) 1.816 2.636 ( 0.997 1.150 -2.486) 2.915 2.688 ( -6.624 -7.630 -3.757) 10.780 2.724 ( 1.101 0.152 -0.953) 1.464 2.802 ( -2.121 0.112 -3.310) 3.932 2.913 ( 2.041 1.683 1.881) 3.246 2.985 ( 0.640 -4.471 0.637) 4.561 3.049 ( 3.539 1.600 3.332) 5.117 3.240 ( 11.347 -2.875 -1.317) 11.780 3.348 ( -0.523 5.740 4.253) 7.163 3.468 ( 5.080 -0.999 1.279) 5.333 3.497 ( 7.895 0.782 -1.496) 8.073 3.583 ( -0.814 -2.043 -1.692) 2.775 3.997 ( -0.767 0.880 3.728) 3.907 4.139 ( -0.220 0.122 -2.091) 2.106 4.650 ( 3.834 10.968 1.445) 11.709 4.870 ( 3.904 -4.970 -1.490) 6.493 5.018 ( -10.858 7.770 1.273) 13.413 5.242 ( -8.078 -11.812 -0.905) 14.338 6.187 ( -0.187 10.951 -2.502) 11.235 6.269 ( -0.191 -10.427 2.446) 10.711 6.560 ( 4.784 -1.058 0.150) 4.902 6.575 ( 5.822 -0.605 -0.928) 5.926 8.051 ( -0.913 -0.539 0.540) 1.190 8.067 ( -3.226 0.226 -0.521) 3.276 8.268 ( 1.283 13.671 -1.083) 13.774 8.451 ( 3.107 -13.034 2.081) 13.559 8.663 ( -1.088 7.785 -0.138) 7.862 8.799 ( -0.978 -7.441 0.322) 7.511 9.089 ( -0.779 0.830 0.342) 1.188 9.110 ( 0.978 -0.326 -0.038) 1.032 9.270 ( -3.914 1.087 1.610) 4.369 9.275 ( -2.063 3.623 -0.193) 4.174 9.604 ( 1.039 7.687 1.111) 7.836 9.758 ( 0.119 0.219 0.861) 0.896 9.784 ( -1.180 -4.962 -0.481) 5.123 9.868 ( 0.854 -2.028 -1.798) 2.842 10.039 ( 1.371 -2.140 0.738) 2.647 10.047 ( -1.571 1.187 -0.903) 2.166 10.215 ( 1.620 5.057 0.063) 5.310 10.306 ( 2.421 -3.717 -0.301) 4.446 ======================= Grid point 8 (9/75) ======================= q-point: (-0.42 0.42 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -2.933 -5.152 -0.000) 5.928 1.592 ( 2.544 8.300 0.000) 8.681 1.681 ( -0.174 2.312 0.000) 2.319 1.901 ( 7.299 1.109 -0.000) 7.383 2.000 ( 12.341 -5.227 -0.000) 13.402 2.033 ( 1.144 0.390 -0.000) 1.208 2.084 ( 3.092 -0.691 -0.000) 3.168 2.174 ( -5.945 -1.607 0.000) 6.158 2.234 ( -2.227 0.399 0.000) 2.262 2.246 ( -3.706 2.110 0.000) 4.264 2.315 ( -4.447 -4.653 0.000) 6.436 2.395 ( 0.838 0.121 -0.000) 0.846 2.428 ( -5.707 -1.581 0.000) 5.922 2.469 ( 0.230 3.616 0.000) 3.623 2.520 ( -3.304 1.446 0.000) 3.607 2.652 ( 0.355 5.586 0.000) 5.597 2.688 ( 0.431 -2.783 -0.000) 2.816 2.782 ( -8.375 8.670 0.000) 12.054 2.903 ( 3.928 -0.077 -0.000) 3.929 3.006 ( -3.517 -2.389 0.000) 4.252 3.089 ( -0.773 -2.143 -0.000) 2.278 3.177 ( 3.356 1.562 -0.000) 3.702 3.186 ( 12.913 1.907 -0.000) 13.053 3.254 ( 3.273 -2.750 -0.000) 4.275 3.444 ( -3.226 -0.198 0.000) 3.232 3.462 ( 4.145 0.444 -0.000) 4.169 3.708 ( -12.506 0.964 0.000) 12.544 3.740 ( -8.115 0.490 0.000) 8.130 4.543 ( -4.848 1.960 0.000) 5.229 4.596 ( 0.969 -0.863 -0.000) 1.297 5.667 ( 7.184 -3.052 -0.000) 7.806 5.676 ( 2.296 3.007 0.000) 3.783 6.079 ( -3.189 -1.158 0.000) 3.393 6.096 ( -6.763 3.615 0.000) 7.669 6.316 ( -0.440 0.545 0.000) 0.700 6.320 ( 1.980 -4.114 -0.000) 4.566 7.884 ( 0.142 0.750 0.000) 0.763 7.923 ( -3.949 5.654 0.000) 6.897 8.555 ( 3.984 -10.230 -0.000) 10.978 8.604 ( -3.396 -4.738 -0.000) 5.829 8.835 ( 7.684 6.039 -0.000) 9.773 8.856 ( 4.313 5.628 0.000) 7.091 9.167 ( -1.582 -0.839 0.000) 1.791 9.184 ( -2.161 0.807 0.000) 2.307 9.274 ( 0.424 2.133 0.000) 2.175 9.378 ( 3.452 -1.355 -0.000) 3.709 9.566 ( -1.603 -1.404 0.000) 2.131 9.736 ( -2.521 1.557 0.000) 2.963 9.783 ( 0.454 -1.396 -0.000) 1.468 9.825 ( -2.137 -1.026 0.000) 2.371 9.845 ( -2.798 0.625 0.000) 2.867 10.029 ( 2.441 1.344 -0.000) 2.787 10.106 ( -3.986 1.477 0.000) 4.251 10.119 ( -2.147 -0.852 0.000) 2.310 ======================= Grid point 9 (10/75) ======================= q-point: (-0.23 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 0.000 -16.300 -10.560) 19.422 0.583 ( 0.000 -14.222 -16.829) 22.034 0.991 ( 0.000 -30.485 -20.823) 36.918 1.645 ( -0.000 13.933 4.761) 14.724 1.860 ( -0.000 11.888 11.737) 16.706 1.968 ( 0.000 5.327 -8.241) 9.813 2.184 ( -0.000 -12.155 1.372) 12.233 2.316 ( -0.000 -0.434 6.302) 6.316 2.331 ( 0.000 -3.959 -2.267) 4.562 2.367 ( 0.000 5.397 -7.944) 9.604 2.429 ( -0.000 -5.616 5.838) 8.101 2.437 ( 0.000 1.117 -1.112) 1.576 2.543 ( -0.000 -0.424 2.160) 2.201 2.581 ( -0.000 0.569 0.396) 0.693 2.610 ( 0.000 -1.072 -6.271) 6.362 2.698 ( -0.000 4.556 3.074) 5.496 2.751 ( -0.000 0.865 2.254) 2.414 2.752 ( -0.000 -0.300 2.800) 2.816 2.940 ( 0.000 -7.562 -9.765) 12.351 3.008 ( -0.000 4.151 2.368) 4.779 3.083 ( -0.000 3.631 4.332) 5.653 3.230 ( 0.000 -1.841 -4.566) 4.923 3.440 ( 0.000 0.186 -0.421) 0.460 3.597 ( 0.000 2.148 -1.828) 2.820 3.603 ( 0.000 5.027 -3.395) 6.066 3.606 ( -0.000 1.254 2.733) 3.007 4.009 ( 0.000 3.472 -5.053) 6.131 4.097 ( -0.000 -1.425 1.330) 1.949 4.441 ( 0.000 -14.651 -1.838) 14.766 4.736 ( 0.000 -4.795 -1.631) 5.065 4.980 ( 0.000 1.177 -0.573) 1.309 5.409 ( -0.000 13.414 2.390) 13.626 5.973 ( -0.000 -11.421 2.985) 11.804 6.445 ( 0.000 7.056 -1.338) 7.182 6.619 ( 0.000 0.647 -0.288) 0.708 6.662 ( -0.000 0.905 1.400) 1.667 8.011 ( -0.000 -0.444 0.503) 0.671 8.054 ( -0.000 -9.881 0.376) 9.888 8.080 ( 0.000 2.747 -0.980) 2.917 8.507 ( -0.000 -6.366 0.186) 6.369 8.741 ( 0.000 11.646 -3.587) 12.186 8.892 ( 0.000 5.045 -0.311) 5.055 9.065 ( 0.000 -0.150 -0.997) 1.008 9.113 ( -0.000 -2.678 0.384) 2.706 9.167 ( 0.000 -3.399 -3.980) 5.234 9.207 ( 0.000 -0.497 -0.816) 0.955 9.426 ( -0.000 -10.735 0.853) 10.769 9.802 ( 0.000 3.620 -0.837) 3.715 9.814 ( 0.000 1.682 -0.363) 1.720 9.938 ( -0.000 2.535 0.904) 2.692 9.974 ( -0.000 -2.161 1.078) 2.415 10.125 ( 0.000 -5.435 -0.643) 5.473 10.132 ( 0.000 2.714 -0.451) 2.751 10.382 ( -0.000 1.767 0.475) 1.830 ======================= Grid point 10 (11/75) ======================= q-point: (-0.03 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -2.265 -0.000 11.629) 11.848 1.499 ( 1.442 0.000 -7.749) 7.882 1.790 ( -19.114 -0.000 2.778) 19.315 1.982 ( -1.766 -0.000 -0.691) 1.896 2.008 ( -2.186 -0.000 -2.857) 3.597 2.049 ( 2.272 0.000 0.972) 2.471 2.091 ( 2.430 0.000 -1.071) 2.656 2.187 ( 7.392 0.000 0.530) 7.411 2.226 ( 1.134 0.000 -2.813) 3.033 2.254 ( 5.936 0.000 1.822) 6.210 2.291 ( -2.912 -0.000 2.408) 3.778 2.360 ( 5.235 0.000 -1.325) 5.400 2.485 ( -7.563 -0.000 -8.698) 11.527 2.528 ( 0.570 0.000 -5.418) 5.447 2.572 ( 3.280 -0.000 7.667) 8.339 2.670 ( 2.540 -0.000 8.977) 9.330 2.712 ( 3.845 -0.000 10.956) 11.611 2.718 ( -1.206 0.000 -4.459) 4.619 2.752 ( -0.370 -0.000 4.896) 4.910 2.788 ( 1.868 0.000 -3.970) 4.387 3.129 ( -3.546 -0.000 3.186) 4.767 3.191 ( 1.553 0.000 -1.510) 2.166 3.297 ( -13.671 -0.000 -2.844) 13.964 3.350 ( -1.980 -0.000 -0.360) 2.012 3.421 ( -5.861 -0.000 -1.063) 5.957 3.438 ( -4.339 -0.000 -0.455) 4.362 3.662 ( 13.646 0.000 1.930) 13.781 3.704 ( 14.266 0.000 1.736) 14.371 4.486 ( -5.043 -0.000 4.276) 6.612 4.612 ( 6.563 0.000 -2.123) 6.898 5.610 ( -8.660 -0.000 -0.433) 8.671 5.769 ( 5.749 0.000 -0.021) 5.749 6.101 ( -3.758 -0.000 2.284) 4.398 6.114 ( -6.297 -0.000 -0.833) 6.352 6.244 ( 7.796 0.000 -1.014) 7.862 6.247 ( 5.759 0.000 0.597) 5.790 8.059 ( -8.365 -0.000 0.358) 8.373 8.192 ( -3.375 -0.000 -0.142) 3.378 8.257 ( 2.356 0.000 0.467) 2.402 8.268 ( 11.093 0.000 -0.613) 11.110 8.950 ( -10.249 -0.000 1.005) 10.299 9.038 ( -10.585 -0.000 -0.155) 10.586 9.144 ( 7.760 0.000 -0.288) 7.766 9.251 ( 8.921 0.000 -0.127) 8.922 9.265 ( -9.257 -0.000 2.007) 9.472 9.435 ( 5.154 0.000 -0.471) 5.175 9.468 ( -6.141 -0.000 -2.962) 6.818 9.607 ( 7.033 0.000 5.579) 8.977 9.804 ( -1.665 -0.000 0.534) 1.748 9.880 ( -5.449 -0.000 -4.793) 7.257 9.883 ( 6.196 0.000 -0.932) 6.266 10.012 ( 5.831 0.000 3.743) 6.929 10.043 ( -4.637 -0.000 0.660) 4.683 10.148 ( 4.927 0.000 -0.255) 4.934 ======================= Grid point 11 (12/75) ======================= q-point: ( 0.17 0.08 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 14.365 10.174 7.395) 19.093 0.774 ( 15.976 9.725 11.748) 22.087 1.266 ( 22.719 21.913 14.395) 34.692 1.635 ( -0.475 -12.264 -3.889) 12.874 1.836 ( -2.184 -5.973 -2.419) 6.804 1.989 ( 1.168 -9.824 -0.312) 9.898 2.185 ( -0.286 10.911 -0.017) 10.915 2.275 ( -2.710 3.802 -0.362) 4.683 2.323 ( -2.777 -5.149 6.694) 8.890 2.373 ( 1.948 1.181 -6.736) 7.111 2.401 ( -0.980 2.622 -2.984) 4.092 2.437 ( 0.024 -0.635 0.590) 0.868 2.527 ( -1.785 0.981 -4.250) 4.713 2.558 ( -1.050 -3.254 1.809) 3.868 2.642 ( 1.639 0.192 1.690) 2.362 2.719 ( -3.710 0.138 -2.637) 4.554 2.769 ( 3.047 0.762 -0.335) 3.159 2.796 ( 4.506 -0.118 -1.395) 4.719 2.894 ( -2.279 -1.210 4.909) 5.546 3.011 ( -2.302 1.864 -0.012) 2.962 3.082 ( 1.878 -3.137 -2.507) 4.433 3.238 ( -1.412 0.413 1.762) 2.295 3.334 ( -5.405 -2.395 1.358) 6.066 3.476 ( -10.084 0.670 -1.670) 10.243 3.521 ( -7.100 -2.856 2.224) 7.970 3.617 ( -0.035 -1.658 0.100) 1.661 4.007 ( 0.012 -2.205 3.877) 4.460 4.136 ( 1.835 0.236 -1.344) 2.287 4.432 ( 0.105 11.333 1.354) 11.414 4.882 ( 9.707 3.525 0.275) 10.331 4.948 ( -0.633 -0.703 0.504) 1.072 5.474 ( 5.579 -12.292 -1.265) 13.557 5.977 ( 0.566 11.331 -2.505) 11.619 6.435 ( -0.901 -6.606 1.405) 6.813 6.580 ( -4.160 -1.077 -0.035) 4.297 6.587 ( -6.197 -0.576 -1.248) 6.348 8.010 ( -3.486 6.966 -0.216) 7.793 8.068 ( 4.643 -0.347 -0.557) 4.689 8.106 ( 2.112 0.975 0.453) 2.370 8.533 ( 2.439 5.520 -0.291) 6.042 8.680 ( -4.532 -10.840 2.713) 12.059 8.904 ( -1.518 -2.415 0.655) 2.927 9.076 ( 0.722 0.428 0.066) 0.841 9.111 ( 1.532 -0.982 -0.092) 1.822 9.228 ( 2.271 1.350 0.585) 2.706 9.236 ( 6.129 2.090 3.449) 7.337 9.440 ( 1.360 9.271 0.319) 9.375 9.793 ( -0.314 -3.308 0.570) 3.371 9.847 ( 2.580 -1.948 0.124) 3.235 9.918 ( -2.774 -2.932 -1.188) 4.208 10.027 ( 4.150 0.875 -0.906) 4.337 10.069 ( -3.929 -0.191 0.015) 3.934 10.122 ( -1.748 3.754 0.262) 4.149 10.360 ( -2.231 -1.907 -0.384) 2.960 ======================= Grid point 12 (13/75) ======================= q-point: ( 0.37 -0.37 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -3.903 8.501 0.000) 9.354 1.564 ( -1.798 -4.885 -0.000) 5.205 1.638 ( -18.966 10.059 0.000) 21.469 1.680 ( -0.730 -0.827 -0.000) 1.103 1.775 ( 0.655 -14.830 -0.000) 14.844 2.012 ( 0.287 -0.395 -0.000) 0.488 2.086 ( 0.925 -4.283 -0.000) 4.382 2.271 ( 1.501 3.475 0.000) 3.785 2.282 ( 1.254 -0.989 -0.000) 1.597 2.325 ( 3.747 0.739 -0.000) 3.819 2.368 ( -0.897 -0.723 0.000) 1.152 2.428 ( 5.620 1.139 -0.000) 5.734 2.453 ( -1.060 0.004 0.000) 1.060 2.597 ( 3.317 -2.479 -0.000) 4.141 2.615 ( 0.431 -2.190 -0.000) 2.232 2.658 ( 0.538 1.415 0.000) 1.514 2.666 ( 4.483 -3.884 -0.000) 5.931 2.683 ( -7.654 3.750 0.000) 8.523 2.888 ( -1.292 -9.320 -0.000) 9.409 2.940 ( -3.488 4.150 0.000) 5.421 3.106 ( 6.982 -1.782 -0.000) 7.206 3.130 ( -3.867 -5.666 -0.000) 6.860 3.150 ( 1.122 1.232 -0.000) 1.666 3.242 ( 3.145 2.442 -0.000) 3.982 3.384 ( -2.928 -0.340 0.000) 2.947 3.521 ( 3.815 -0.604 -0.000) 3.862 3.902 ( 6.012 -1.056 -0.000) 6.104 3.963 ( 10.280 -0.802 -0.000) 10.312 4.581 ( -0.342 3.687 0.000) 3.703 4.667 ( 6.370 -5.584 -0.000) 8.471 5.483 ( -9.929 4.384 0.000) 10.853 5.574 ( -6.487 -6.259 0.000) 9.015 6.190 ( 4.669 5.527 0.000) 7.235 6.258 ( 8.152 -4.229 -0.000) 9.184 6.299 ( -1.692 -4.924 -0.000) 5.206 6.302 ( 1.890 4.269 0.000) 4.668 7.923 ( 3.674 3.664 -0.000) 5.188 8.023 ( 5.136 -8.021 -0.000) 9.525 8.451 ( -6.153 11.440 0.000) 12.990 8.606 ( -10.406 -1.904 0.000) 10.578 8.696 ( 3.670 -3.902 -0.000) 5.356 8.744 ( -4.520 -1.555 0.000) 4.780 9.162 ( -2.213 -3.013 -0.000) 3.738 9.170 ( -3.078 0.198 0.000) 3.084 9.291 ( 2.112 0.795 -0.000) 2.257 9.361 ( 1.276 -0.911 -0.000) 1.568 9.566 ( -1.226 2.110 0.000) 2.440 9.749 ( 0.202 -3.940 -0.000) 3.945 9.805 ( 1.947 3.120 0.000) 3.677 9.862 ( -1.649 -0.416 0.000) 1.700 9.957 ( 6.679 -3.371 -0.000) 7.481 10.026 ( 2.820 0.420 -0.000) 2.851 10.139 ( -0.234 2.699 0.000) 2.709 10.196 ( 3.605 -2.273 -0.000) 4.262 ======================= Grid point 13 (14/75) ======================= q-point: (-0.44 0.19 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 14.435 -12.675 1.013) 19.237 1.287 ( 13.845 -10.387 -5.601) 18.191 1.468 ( 3.850 8.514 3.730) 10.061 1.769 ( 0.523 -1.978 -5.451) 5.822 1.788 ( 0.356 10.983 5.949) 12.496 1.993 ( 6.299 -3.284 -3.737) 8.026 2.161 ( 1.240 4.939 -9.419) 10.708 2.249 ( 0.645 -3.528 -2.309) 4.265 2.292 ( -5.521 -2.073 1.020) 5.985 2.386 ( -1.447 1.046 0.715) 1.923 2.398 ( -1.999 0.586 1.147) 2.378 2.407 ( 0.794 -3.616 0.991) 3.832 2.471 ( 0.964 2.674 4.279) 5.137 2.541 ( -3.111 -2.953 3.293) 5.408 2.605 ( -5.208 -0.883 0.221) 5.287 2.658 ( -1.985 -1.552 2.356) 3.449 2.749 ( -4.661 2.727 -1.491) 5.602 2.830 ( 2.954 4.459 0.522) 5.374 2.892 ( 2.985 0.234 0.580) 3.049 2.937 ( -3.939 1.744 -3.487) 5.542 2.991 ( -2.623 5.953 4.282) 7.788 3.104 ( -0.197 2.695 1.480) 3.081 3.305 ( -5.657 1.692 -0.865) 5.968 3.314 ( -8.022 -2.450 1.438) 8.510 3.396 ( -0.316 -3.657 -3.644) 5.172 3.568 ( -1.931 1.398 2.032) 3.132 3.994 ( -1.674 -0.404 -2.078) 2.699 4.101 ( -4.345 0.976 1.836) 4.817 4.594 ( -1.676 -7.502 -0.739) 7.723 4.777 ( -4.837 6.056 1.322) 7.863 5.261 ( 11.440 -6.064 -0.559) 12.959 5.418 ( 8.218 8.809 0.289) 12.051 6.199 ( 0.923 -10.117 1.613) 10.286 6.283 ( 1.146 8.343 -2.118) 8.684 6.419 ( -8.295 -0.566 1.187) 8.398 6.429 ( -7.543 2.556 -0.117) 7.965 8.014 ( -4.298 -4.604 0.102) 6.299 8.104 ( -1.239 4.624 0.196) 4.791 8.313 ( 5.694 -9.534 0.436) 11.114 8.441 ( 4.053 8.407 -1.381) 9.435 8.685 ( 1.193 -5.091 0.336) 5.240 8.780 ( -2.930 5.201 -0.236) 5.974 9.110 ( 1.539 -0.733 0.524) 1.783 9.119 ( 1.784 1.961 -0.222) 2.661 9.315 ( 0.916 -2.675 -0.153) 2.831 9.353 ( 2.615 1.312 -0.402) 2.953 9.572 ( -1.032 -4.490 -1.628) 4.886 9.745 ( -1.213 3.071 2.458) 4.116 9.814 ( 2.057 3.199 -1.692) 4.163 9.841 ( -1.649 -1.458 1.059) 2.443 10.036 ( 0.491 -1.178 0.418) 1.343 10.064 ( -1.334 2.487 -0.094) 2.824 10.164 ( -2.668 -4.705 0.156) 5.411 10.247 ( -2.572 3.160 0.354) 4.089 ======================= Grid point 14 (15/75) ======================= q-point: (-0.24 -0.26 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -11.803 -4.057 -7.263) 14.440 1.294 ( -11.802 -3.392 -10.212) 15.971 1.645 ( -2.067 1.063 2.175) 3.183 1.743 ( -2.549 8.242 0.007) 8.627 1.925 ( 4.691 6.321 3.317) 8.542 1.944 ( -14.863 -3.607 -1.724) 15.391 2.154 ( 2.740 -2.620 -1.013) 3.924 2.226 ( -1.546 -7.428 -1.492) 7.732 2.308 ( -4.386 -1.046 4.461) 6.343 2.340 ( 3.743 -0.947 2.678) 4.699 2.362 ( -0.913 -2.870 -0.304) 3.027 2.390 ( 1.258 0.282 0.657) 1.447 2.450 ( 1.630 -0.349 1.616) 2.322 2.494 ( 4.138 3.879 -0.242) 5.677 2.575 ( 5.329 -0.329 -3.675) 6.482 2.659 ( 0.257 1.812 0.997) 2.084 2.787 ( 1.218 -0.942 0.197) 1.552 2.870 ( -1.040 2.112 2.381) 3.348 2.901 ( 2.374 -2.570 -0.659) 3.560 2.972 ( 3.679 5.085 8.958) 10.938 3.026 ( 0.651 3.301 -0.963) 3.499 3.087 ( 3.796 4.189 1.228) 5.785 3.231 ( 8.655 -2.761 1.204) 9.165 3.371 ( 7.540 1.386 -1.133) 7.750 3.382 ( 0.488 -5.447 -1.941) 5.803 3.561 ( 3.450 1.644 1.280) 4.031 4.047 ( 2.944 1.137 -2.700) 4.153 4.078 ( 4.402 0.841 2.382) 5.075 4.449 ( 0.382 -7.803 0.182) 7.814 4.819 ( 4.303 2.311 2.167) 5.344 5.193 ( -12.233 -2.766 -1.041) 12.585 5.589 ( -6.438 10.077 1.023) 12.002 5.973 ( -3.847 -10.090 2.020) 10.986 6.362 ( 10.024 -1.220 2.598) 10.427 6.433 ( 2.552 2.441 -1.134) 3.709 6.494 ( 5.377 4.077 -1.279) 6.868 7.927 ( 3.211 -3.528 0.426) 4.789 8.161 ( -4.166 2.343 0.616) 4.820 8.168 ( -3.266 -5.522 -0.163) 6.418 8.598 ( -4.786 -2.752 0.737) 5.570 8.631 ( 3.621 7.443 -1.858) 8.483 8.842 ( 4.900 0.103 -1.332) 5.079 9.075 ( -0.471 -0.949 1.282) 1.663 9.178 ( -3.799 4.766 0.148) 6.097 9.289 ( -2.051 -0.915 -0.527) 2.307 9.389 ( -2.012 0.704 -1.316) 2.505 9.483 ( -1.778 -7.311 -0.695) 7.557 9.756 ( 1.263 3.857 2.570) 4.803 9.839 ( 2.670 1.340 -0.568) 3.041 9.929 ( 0.646 4.313 -2.218) 4.893 9.959 ( 2.838 -3.845 3.019) 5.653 10.079 ( -0.543 -0.947 0.779) 1.341 10.091 ( 0.024 -2.618 -1.293) 2.920 10.291 ( 3.415 1.787 0.312) 3.867 ======================= Grid point 15 (16/75) ======================= q-point: (-0.04 0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 6.638 0.000 5.797) 8.813 1.387 ( 19.730 0.000 -2.030) 19.835 1.671 ( -1.629 0.000 -6.039) 6.255 1.801 ( 3.642 -0.000 7.056) 7.941 2.007 ( -0.818 0.000 -2.580) 2.707 2.103 ( -1.903 -0.000 1.483) 2.413 2.107 ( -1.103 -0.000 -0.885) 1.414 2.181 ( -1.979 -0.000 3.521) 4.040 2.252 ( -2.908 -0.000 4.608) 5.449 2.320 ( 5.804 0.000 -2.503) 6.321 2.335 ( -2.041 -0.000 0.400) 2.080 2.465 ( -0.704 0.000 -10.256) 10.281 2.477 ( -1.116 -0.000 -1.258) 1.682 2.544 ( 7.701 0.000 -1.191) 7.793 2.663 ( -10.431 -0.000 -0.378) 10.438 2.691 ( -3.450 -0.000 2.716) 4.391 2.699 ( 3.069 0.000 -3.259) 4.476 2.728 ( 1.990 -0.000 3.700) 4.201 2.819 ( -2.089 -0.000 -2.442) 3.214 2.989 ( -0.782 -0.000 3.771) 3.852 3.068 ( -2.782 0.000 -5.182) 5.881 3.120 ( 2.470 0.000 -2.184) 3.297 3.250 ( -2.024 -0.000 -1.382) 2.451 3.311 ( -0.639 -0.000 0.838) 1.054 3.312 ( 1.587 0.000 -2.723) 3.152 3.512 ( -4.064 -0.000 -1.010) 4.187 3.938 ( -6.885 -0.000 0.194) 6.888 3.958 ( -10.441 -0.000 -1.487) 10.546 4.469 ( 4.087 0.000 -2.773) 4.939 4.755 ( -7.283 -0.000 -0.627) 7.310 5.403 ( 10.670 0.000 0.339) 10.676 5.814 ( -0.001 0.000 -0.437) 0.437 5.955 ( 7.331 0.000 0.631) 7.358 6.207 ( -7.694 -0.000 -2.616) 8.126 6.365 ( -4.718 -0.000 -0.102) 4.719 6.381 ( -6.730 -0.000 1.153) 6.828 7.931 ( 4.007 0.000 -0.083) 4.008 8.133 ( 2.039 0.000 -0.073) 2.040 8.280 ( 1.535 0.000 -0.412) 1.589 8.495 ( -11.136 -0.000 0.459) 11.145 8.758 ( 9.466 0.000 -0.723) 9.494 8.832 ( 7.094 0.000 1.004) 7.165 9.150 ( 4.987 0.000 -1.694) 5.266 9.262 ( -3.248 -0.000 -0.013) 3.248 9.336 ( 3.719 0.000 0.781) 3.800 9.385 ( -3.367 -0.000 0.054) 3.367 9.461 ( 2.193 0.000 -0.196) 2.202 9.758 ( -1.405 -0.000 2.005) 2.448 9.823 ( -1.193 -0.000 -0.822) 1.448 9.861 ( -6.698 -0.000 -4.417) 8.023 9.977 ( 2.203 0.000 -0.169) 2.210 10.028 ( -6.814 -0.000 0.118) 6.815 10.083 ( 2.827 0.000 -0.341) 2.848 10.241 ( -3.832 -0.000 -0.219) 3.838 ======================= Grid point 16 (17/75) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -15.835 15.910 0.000) 22.447 0.650 ( -20.147 10.489 0.000) 22.714 1.117 ( -27.393 24.117 0.000) 36.497 1.705 ( 1.869 -9.454 -0.000) 9.637 1.788 ( 4.126 -7.320 -0.000) 8.403 2.102 ( -6.414 -13.450 -0.000) 14.901 2.133 ( 4.489 0.325 -0.000) 4.500 2.215 ( 1.586 5.751 0.000) 5.966 2.283 ( 1.412 4.394 0.000) 4.616 2.423 ( -0.902 -0.338 0.000) 0.964 2.440 ( 5.494 3.704 -0.000) 6.627 2.491 ( 0.856 -2.966 -0.000) 3.087 2.507 ( -6.122 2.817 0.000) 6.739 2.553 ( 0.380 -2.361 -0.000) 2.391 2.636 ( -1.521 1.379 0.000) 2.054 2.746 ( 1.978 -0.850 -0.000) 2.153 2.778 ( 0.399 1.233 0.000) 1.296 2.808 ( 1.866 2.455 0.000) 3.084 2.844 ( -5.251 -1.457 0.000) 5.450 3.000 ( 3.611 4.106 0.000) 5.468 3.107 ( -0.761 -3.132 -0.000) 3.224 3.225 ( -3.361 -1.805 0.000) 3.815 3.319 ( 7.276 -3.352 -0.000) 8.011 3.495 ( 10.896 0.888 -0.000) 10.932 3.497 ( 6.276 -3.078 -0.000) 6.991 3.617 ( -0.949 -0.612 0.000) 1.129 3.969 ( -0.896 -2.380 -0.000) 2.543 4.148 ( -1.895 0.548 0.000) 1.973 4.419 ( -0.604 11.261 0.000) 11.278 4.879 ( -12.727 4.905 0.000) 13.640 4.943 ( 2.729 -1.621 -0.000) 3.174 5.486 ( -4.988 -12.402 -0.000) 13.367 6.000 ( -0.178 11.352 0.000) 11.354 6.422 ( 0.946 -7.321 -0.000) 7.382 6.578 ( 3.628 -0.796 -0.000) 3.715 6.602 ( 6.589 -0.774 -0.000) 6.634 8.012 ( 3.458 6.655 0.000) 7.500 8.074 ( -4.614 -0.436 0.000) 4.635 8.102 ( -2.328 1.637 0.000) 2.845 8.536 ( -2.530 5.457 0.000) 6.015 8.654 ( 4.051 -10.546 -0.000) 11.297 8.898 ( 1.763 -2.148 -0.000) 2.779 9.075 ( -1.320 0.225 0.000) 1.339 9.112 ( -1.480 -1.053 0.000) 1.816 9.203 ( -6.835 2.897 0.000) 7.424 9.223 ( -2.370 1.538 0.000) 2.825 9.438 ( -0.987 8.795 0.000) 8.850 9.785 ( -0.165 -3.488 -0.000) 3.492 9.847 ( -2.412 -1.546 0.000) 2.865 9.931 ( 3.129 -2.988 -0.000) 4.327 10.035 ( -4.019 0.931 0.000) 4.126 10.068 ( 3.613 -0.787 -0.000) 3.698 10.121 ( 1.306 4.069 0.000) 4.274 10.363 ( 2.331 -1.960 -0.000) 3.046 ======================= Grid point 17 (18/75) ======================= q-point: (-0.65 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 1.585 7.757 -6.530) 10.263 1.627 ( 0.245 -2.168 3.393) 4.034 1.713 ( 2.034 -4.151 -6.383) 7.881 1.910 ( 11.276 1.522 -3.217) 11.825 2.027 ( 1.296 -0.284 -3.314) 3.570 2.064 ( 5.692 -3.105 2.535) 6.962 2.119 ( -3.035 1.420 0.764) 3.437 2.139 ( 2.596 -0.699 3.698) 4.572 2.187 ( -3.349 4.015 -1.440) 5.423 2.248 ( 0.087 -0.580 1.002) 1.160 2.300 ( -5.222 -0.780 -0.297) 5.288 2.377 ( -0.731 1.499 0.640) 1.786 2.445 ( -1.059 -0.272 -1.396) 1.773 2.509 ( -1.879 -0.182 -2.711) 3.303 2.527 ( -2.931 -2.059 -4.057) 5.412 2.603 ( -1.589 3.053 1.875) 3.919 2.658 ( -0.427 -0.855 5.419) 5.503 2.730 ( 0.921 -1.197 -1.944) 2.462 2.792 ( 0.631 1.590 5.206) 5.480 2.979 ( -2.138 3.969 4.656) 6.481 3.067 ( 2.958 1.592 -6.149) 7.007 3.213 ( 8.795 -0.404 -2.294) 9.098 3.266 ( 2.392 -1.183 -0.228) 2.678 3.306 ( 5.848 -4.597 0.184) 7.441 3.427 ( 1.189 -0.547 0.320) 1.348 3.441 ( 0.639 1.836 1.109) 2.237 3.691 ( -12.239 0.695 -0.459) 12.267 3.707 ( -8.013 1.752 0.642) 8.227 4.503 ( 0.119 3.212 -1.547) 3.567 4.607 ( -1.817 -1.644 1.296) 2.772 5.639 ( 5.866 1.630 -0.500) 6.109 5.717 ( 3.036 -2.859 0.757) 4.238 6.045 ( -2.972 2.066 -0.764) 3.699 6.111 ( -5.887 -2.576 0.238) 6.431 6.282 ( 3.157 3.702 -0.658) 4.910 6.355 ( -1.562 -0.157 0.679) 1.710 7.876 ( 0.425 -0.661 -0.156) 0.801 7.928 ( -3.912 -5.413 0.076) 6.679 8.546 ( 2.833 9.528 -0.212) 9.942 8.628 ( -3.565 5.261 0.418) 6.369 8.830 ( 7.178 -5.930 -0.103) 9.311 8.836 ( 6.531 -4.383 -0.410) 7.876 9.175 ( -1.666 0.395 0.083) 1.714 9.187 ( -1.043 -1.143 -0.101) 1.551 9.268 ( 1.066 0.829 -2.086) 2.486 9.382 ( 2.407 -1.134 1.749) 3.184 9.582 ( -1.981 1.678 -2.770) 3.796 9.663 ( 0.587 3.896 1.648) 4.271 9.807 ( -0.368 0.170 -0.097) 0.417 9.848 ( -3.361 -2.158 0.840) 4.082 9.879 ( -2.304 -2.220 -2.555) 4.095 9.977 ( 2.568 1.003 3.158) 4.192 10.081 ( -1.771 1.684 -0.542) 2.503 10.131 ( -3.249 -1.021 0.490) 3.441 ======================= Grid point 18 (19/75) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.000 -13.312 -9.766) 16.511 1.114 ( 0.000 -10.278 -13.707) 17.132 1.293 ( -0.000 13.818 2.302) 14.008 1.404 ( -0.000 13.964 11.217) 17.911 1.824 ( 0.000 -23.312 -11.170) 25.850 2.087 ( 0.000 1.631 -8.860) 9.009 2.165 ( -0.000 0.428 6.443) 6.457 2.251 ( -0.000 4.340 5.878) 7.307 2.364 ( -0.000 3.410 5.629) 6.582 2.403 ( 0.000 1.799 -2.524) 3.099 2.420 ( -0.000 -4.409 3.885) 5.877 2.428 ( -0.000 3.840 3.943) 5.504 2.464 ( 0.000 2.136 -4.139) 4.657 2.535 ( 0.000 2.169 -2.606) 3.391 2.596 ( -0.000 -4.684 2.357) 5.244 2.689 ( 0.000 2.652 -2.857) 3.898 2.720 ( -0.000 0.233 0.673) 0.713 2.720 ( 0.000 0.782 -1.941) 2.093 2.910 ( -0.000 -1.385 1.173) 1.815 2.941 ( -0.000 1.422 4.574) 4.790 3.246 ( 0.000 -6.524 -7.474) 9.921 3.351 ( -0.000 3.576 3.096) 4.730 3.413 ( 0.000 -3.516 -2.600) 4.373 3.517 ( -0.000 6.551 0.941) 6.619 3.547 ( -0.000 -0.607 2.086) 2.172 3.587 ( 0.000 3.647 -3.159) 4.825 4.074 ( -0.000 -0.263 3.630) 3.640 4.082 ( 0.000 0.796 -5.376) 5.434 4.769 ( 0.000 -14.921 -2.525) 15.133 4.853 ( 0.000 -3.868 -1.079) 4.015 4.952 ( 0.000 2.094 -0.064) 2.095 5.091 ( -0.000 14.727 2.790) 14.988 6.120 ( -0.000 -11.562 4.268) 12.325 6.325 ( 0.000 10.064 -3.465) 10.644 6.616 ( 0.000 -0.134 -0.254) 0.287 6.624 ( -0.000 0.556 0.929) 1.083 8.014 ( -0.000 -1.173 0.771) 1.404 8.047 ( 0.000 2.393 -0.923) 2.565 8.268 ( -0.000 -13.975 1.692) 14.077 8.545 ( 0.000 15.062 -3.015) 15.361 8.644 ( -0.000 -7.867 0.382) 7.876 8.786 ( 0.000 6.991 -0.465) 7.007 9.097 ( 0.000 -1.297 -0.744) 1.495 9.118 ( -0.000 0.582 0.970) 1.131 9.246 ( -0.000 -1.910 0.185) 1.919 9.274 ( 0.000 0.652 -3.217) 3.283 9.626 ( 0.000 -8.737 -1.316) 8.836 9.754 ( -0.000 5.112 0.518) 5.138 9.795 ( 0.000 -0.688 -2.147) 2.255 9.844 ( -0.000 3.995 2.055) 4.492 10.005 ( -0.000 -3.674 1.447) 3.949 10.079 ( 0.000 3.960 -0.998) 4.083 10.241 ( 0.000 -5.117 -0.690) 5.163 10.323 ( -0.000 3.571 0.547) 3.613 ======================= Grid point 19 (20/75) ======================= q-point: (-0.25 -0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -6.604 -5.590 10.966) 13.968 1.649 ( 0.542 -0.661 -7.032) 7.084 1.775 ( -12.502 1.317 0.301) 12.575 1.929 ( -5.672 3.529 2.448) 7.114 2.002 ( 2.572 -0.820 5.391) 6.029 2.073 ( -0.789 0.591 1.749) 2.008 2.090 ( 3.087 -2.722 -1.194) 4.285 2.149 ( 0.217 -0.413 -0.142) 0.487 2.174 ( 0.969 1.438 1.034) 2.019 2.245 ( 4.226 -0.944 0.199) 4.335 2.327 ( 3.516 1.771 -0.939) 4.047 2.381 ( 1.582 1.238 -0.986) 2.238 2.452 ( 1.691 -0.723 4.698) 5.045 2.478 ( 1.424 -0.057 2.920) 3.249 2.555 ( -2.259 -0.295 3.243) 3.964 2.601 ( -0.334 2.128 2.278) 3.135 2.661 ( -3.411 -0.095 -6.871) 7.672 2.715 ( -3.621 -2.066 -6.673) 7.868 2.806 ( 0.856 0.997 0.777) 1.527 2.887 ( 0.436 -4.614 -2.369) 5.205 3.056 ( -5.276 0.254 5.309) 7.489 3.197 ( -1.840 -1.062 0.825) 2.279 3.311 ( -4.539 2.665 -1.099) 5.377 3.366 ( -3.829 0.554 -0.784) 3.947 3.424 ( -5.477 1.258 -0.672) 5.660 3.435 ( -5.028 0.162 -0.324) 5.041 3.664 ( 10.270 -2.453 0.476) 10.570 3.680 ( 14.080 -0.589 1.068) 14.133 4.445 ( -4.138 -2.626 2.487) 5.495 4.635 ( 3.621 1.248 -1.436) 4.090 5.621 ( -7.907 -0.496 -0.050) 7.922 5.758 ( 3.339 1.316 -0.385) 3.609 6.034 ( -2.941 1.048 1.078) 3.303 6.167 ( 5.864 2.772 -0.217) 6.490 6.200 ( -4.396 -4.052 0.491) 5.999 6.323 ( 5.238 -3.239 -0.447) 6.175 7.945 ( -4.752 6.290 0.166) 7.885 8.070 ( 6.055 9.354 0.002) 11.142 8.345 ( -4.926 -10.947 0.052) 12.004 8.465 ( 5.970 -10.342 -0.205) 11.943 8.907 ( -9.328 2.736 0.750) 9.750 8.967 ( -7.355 6.675 0.038) 9.933 9.164 ( 3.604 -0.874 -0.183) 3.713 9.212 ( -1.825 1.510 0.453) 2.412 9.259 ( 1.328 -0.305 1.241) 1.843 9.409 ( -0.656 1.910 -1.182) 2.340 9.540 ( 4.080 -2.228 3.541) 5.844 9.578 ( -3.089 -4.789 -1.409) 5.871 9.801 ( -1.069 -0.336 0.111) 1.126 9.885 ( 4.763 1.508 -0.897) 5.076 9.925 ( 4.775 2.336 2.395) 5.830 9.965 ( -4.127 -0.378 -3.384) 5.350 10.050 ( -1.439 -1.512 0.617) 2.177 10.146 ( 4.116 0.597 -0.271) 4.167 ======================= Grid point 20 (21/75) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 22.681 0.000 -0.000) 22.681 0.574 ( 25.222 0.000 -0.000) 25.222 0.837 ( 39.228 0.000 -0.000) 39.228 1.874 ( -6.908 -0.000 0.000) 6.908 1.880 ( -3.889 -0.000 0.000) 3.889 1.973 ( 0.331 0.000 -0.000) 0.331 2.200 ( -0.091 -0.000 0.000) 0.091 2.249 ( -3.659 -0.000 0.000) 3.659 2.332 ( 9.445 0.000 -0.000) 9.445 2.383 ( -6.895 -0.000 0.000) 6.895 2.386 ( -1.041 -0.000 0.000) 1.041 2.444 ( 3.863 0.000 -0.000) 3.863 2.517 ( 3.132 0.000 -0.000) 3.132 2.577 ( -1.264 -0.000 0.000) 1.264 2.632 ( 3.228 0.000 -0.000) 3.228 2.750 ( -1.705 -0.000 0.000) 1.705 2.764 ( -4.623 -0.000 0.000) 4.623 2.798 ( 7.213 0.000 -0.000) 7.213 2.861 ( 5.763 0.000 -0.000) 5.763 2.930 ( -7.185 -0.000 0.000) 7.185 3.132 ( -1.955 -0.000 0.000) 1.955 3.261 ( 3.920 0.000 -0.000) 3.920 3.360 ( -4.945 -0.000 0.000) 4.945 3.483 ( -12.914 -0.000 0.000) 12.914 3.533 ( -7.292 -0.000 0.000) 7.292 3.623 ( 0.609 0.000 -0.000) 0.609 4.015 ( -1.427 -0.000 0.000) 1.427 4.141 ( 2.804 0.000 -0.000) 2.804 4.285 ( 4.401 0.000 -0.000) 4.401 4.831 ( 13.481 0.000 -0.000) 13.481 4.957 ( -2.349 -0.000 0.000) 2.349 5.653 ( 5.470 0.000 -0.000) 5.470 5.841 ( -0.526 -0.000 0.000) 0.526 6.494 ( -1.418 -0.000 0.000) 1.418 6.586 ( -3.277 -0.000 0.000) 3.277 6.610 ( -6.910 -0.000 0.000) 6.910 7.931 ( -2.046 -0.000 0.000) 2.046 8.081 ( 4.668 0.000 -0.000) 4.668 8.103 ( 0.167 0.000 -0.000) 0.167 8.481 ( 3.572 0.000 -0.000) 3.572 8.784 ( -3.015 -0.000 0.000) 3.015 8.875 ( -6.417 -0.000 0.000) 6.417 9.074 ( 0.693 0.000 -0.000) 0.693 9.165 ( 4.304 0.000 -0.000) 4.304 9.172 ( 8.457 0.000 -0.000) 8.457 9.203 ( 2.364 0.000 -0.000) 2.364 9.320 ( 3.659 0.000 -0.000) 3.659 9.839 ( -0.124 -0.000 0.000) 0.124 9.853 ( 2.696 0.000 -0.000) 2.696 9.972 ( -5.507 -0.000 0.000) 5.507 10.025 ( 5.093 0.000 -0.000) 5.093 10.047 ( -0.703 -0.000 0.000) 0.703 10.101 ( -4.613 -0.000 0.000) 4.613 10.381 ( -2.181 -0.000 0.000) 2.181 ======================= Grid point 21 (22/75) ======================= q-point: ( 0.14 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -7.100 2.864 -4.288) 8.775 1.450 ( -18.632 6.229 1.678) 19.717 1.680 ( 2.109 0.974 2.342) 3.299 1.738 ( -5.259 -6.456 -5.545) 10.005 1.960 ( 0.291 -4.577 2.697) 5.320 2.051 ( 1.386 -3.443 -0.734) 3.783 2.128 ( 2.716 0.690 0.762) 2.904 2.226 ( 3.035 1.841 -3.782) 5.187 2.281 ( 5.487 3.610 -3.219) 7.315 2.302 ( 0.944 -1.491 1.236) 2.155 2.366 ( -1.414 2.171 0.784) 2.707 2.442 ( -0.344 -2.006 -1.571) 2.571 2.461 ( 1.276 -0.648 7.017) 7.161 2.506 ( -8.517 -1.873 2.710) 9.132 2.638 ( -4.745 -2.544 3.346) 6.339 2.642 ( 1.563 -1.485 0.402) 2.193 2.689 ( 7.084 -1.253 -2.519) 7.622 2.798 ( 1.107 -0.045 -1.255) 1.674 2.842 ( 0.933 5.220 0.552) 5.332 2.991 ( 2.123 -1.263 -0.292) 2.488 3.092 ( 1.412 1.471 2.547) 3.263 3.127 ( -2.843 -0.084 2.770) 3.970 3.141 ( 1.951 -4.993 2.101) 5.758 3.282 ( 1.632 -2.734 -1.296) 3.437 3.370 ( -1.554 2.421 0.894) 3.012 3.515 ( 3.705 0.281 0.947) 3.834 3.927 ( 6.592 -1.059 -0.308) 6.684 3.957 ( 10.320 -0.165 1.540) 10.436 4.500 ( -2.571 3.145 2.106) 4.576 4.735 ( 6.957 -2.309 0.591) 7.353 5.423 ( -10.449 2.107 -0.217) 10.662 5.709 ( -4.054 -7.526 -0.092) 8.549 6.061 ( -2.451 7.604 -0.095) 7.990 6.224 ( 6.471 1.911 2.400) 7.161 6.328 ( 7.183 -3.043 -0.066) 7.801 6.374 ( 2.748 -1.638 -1.164) 3.405 7.899 ( -0.350 -1.237 0.229) 1.306 8.181 ( 3.227 -8.172 0.176) 8.788 8.247 ( -4.333 9.866 -0.057) 10.776 8.562 ( 3.436 4.772 -0.479) 5.900 8.754 ( -8.335 -0.474 0.756) 8.383 8.796 ( -4.852 -3.978 -0.655) 6.309 9.154 ( -4.459 0.389 1.434) 4.701 9.226 ( 0.641 -3.388 -0.022) 3.448 9.305 ( -1.465 -1.301 -0.848) 2.135 9.376 ( 3.097 -0.914 0.137) 3.231 9.518 ( -2.021 4.055 -0.508) 4.559 9.769 ( 1.361 1.214 -1.317) 2.249 9.790 ( 0.976 -2.617 1.988) 3.428 9.863 ( 3.546 -0.254 1.731) 3.954 9.987 ( 0.330 0.616 1.508) 1.663 10.016 ( 6.755 -1.284 -0.390) 6.887 10.097 ( -2.095 1.621 0.037) 2.649 10.228 ( 3.660 -1.316 0.195) 3.894 ======================= Grid point 22 (23/75) ======================= q-point: ( 0.34 0.16 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 10.875 9.380 3.001) 14.672 1.414 ( 7.683 5.132 5.413) 10.708 1.457 ( 10.993 -8.576 4.763) 14.734 1.625 ( 8.121 -10.486 -8.132) 15.558 1.898 ( -7.858 5.203 3.483) 10.047 1.987 ( 0.898 -2.041 -5.463) 5.900 2.241 ( -2.032 5.670 -0.602) 6.053 2.275 ( -0.735 1.078 -4.566) 4.748 2.303 ( 0.521 -2.944 2.530) 3.916 2.347 ( -5.929 -1.805 0.485) 6.217 2.388 ( 2.121 2.294 0.925) 3.258 2.411 ( -2.398 -3.086 2.105) 4.439 2.469 ( 5.219 5.506 4.776) 8.964 2.519 ( 0.817 7.250 0.591) 7.320 2.605 ( -2.181 -2.415 -0.143) 3.258 2.624 ( -3.728 0.405 -1.451) 4.021 2.727 ( 2.759 -5.072 -6.054) 8.366 2.782 ( -2.077 -6.803 0.487) 7.130 2.894 ( -2.218 0.866 -1.560) 2.846 2.930 ( -5.307 -2.202 0.118) 5.747 3.013 ( -0.266 2.232 1.868) 2.923 3.047 ( -1.978 -1.250 -3.965) 4.604 3.284 ( -8.234 2.674 -1.443) 8.777 3.333 ( -6.896 -2.503 1.747) 7.542 3.466 ( -0.628 3.599 3.720) 5.214 3.522 ( -1.751 -2.487 -2.830) 4.155 4.040 ( -3.152 0.452 2.793) 4.236 4.058 ( -3.836 -1.215 -2.716) 4.854 4.611 ( -3.003 8.603 1.028) 9.170 4.746 ( -4.224 -5.580 -1.934) 7.261 5.273 ( 10.839 5.829 0.693) 12.326 5.410 ( 8.755 -8.730 -0.595) 12.378 6.159 ( 2.228 9.760 -2.647) 10.355 6.330 ( 0.445 -8.075 2.830) 8.568 6.393 ( -8.695 1.929 -1.381) 9.013 6.433 ( -7.476 -2.333 0.310) 7.837 8.011 ( -4.787 5.031 -0.233) 6.949 8.100 ( -0.657 -4.183 -0.318) 4.246 8.303 ( 6.449 8.510 -0.653) 10.697 8.471 ( 2.966 -9.149 1.811) 9.787 8.677 ( 0.837 5.391 -0.490) 5.477 8.785 ( -2.920 -5.413 0.314) 6.158 9.097 ( 0.916 1.347 -0.821) 1.824 9.123 ( 1.976 -1.582 0.238) 2.542 9.318 ( 1.494 2.183 0.229) 2.655 9.362 ( 1.270 -2.128 0.548) 2.538 9.609 ( -0.885 5.764 2.295) 6.267 9.691 ( -1.812 -3.317 -3.185) 4.943 9.820 ( -0.220 -0.063 -1.074) 1.098 9.852 ( 0.702 -3.407 2.372) 4.210 10.022 ( -1.690 2.743 -1.125) 3.413 10.062 ( 0.121 -1.570 -0.339) 1.611 10.168 ( -1.900 4.259 0.666) 4.711 10.241 ( -2.925 -3.397 -0.210) 4.488 ======================= Grid point 23 (24/75) ======================= q-point: ( 0.54 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -6.463 -4.003 -6.607) 10.072 1.473 ( -9.148 7.031 -2.116) 11.730 1.504 ( -8.722 12.828 1.255) 15.563 1.620 ( -5.369 -3.224 -8.111) 10.248 1.819 ( -1.952 2.246 10.618) 11.027 1.878 ( 9.120 -8.433 5.275) 13.495 2.132 ( -0.503 -0.858 7.755) 7.818 2.281 ( 4.115 -2.697 -3.629) 6.113 2.344 ( 3.809 1.318 -1.069) 4.170 2.366 ( -0.408 -0.083 -0.986) 1.071 2.393 ( 0.227 0.007 0.082) 0.241 2.459 ( 3.558 1.400 -1.266) 4.027 2.513 ( -3.227 1.464 1.238) 3.754 2.520 ( -5.399 -0.933 0.993) 5.568 2.600 ( 4.125 3.049 0.048) 5.130 2.642 ( -3.571 -5.957 -4.691) 8.381 2.704 ( 2.763 -2.942 -2.978) 5.016 2.782 ( -0.592 1.997 1.232) 2.420 2.872 ( 6.057 -3.559 -0.827) 7.073 2.916 ( 9.067 2.430 2.663) 9.757 2.987 ( -0.294 3.898 1.201) 4.089 3.015 ( -2.905 -5.404 2.492) 6.623 3.263 ( 9.307 -2.362 0.860) 9.641 3.364 ( 6.727 2.144 -1.605) 7.240 3.476 ( 2.280 4.250 1.799) 5.148 3.522 ( 1.412 -3.811 -2.203) 4.623 4.012 ( 2.973 1.364 2.054) 3.863 4.085 ( 4.412 -0.500 -1.918) 4.836 4.627 ( 4.326 -9.561 -0.727) 10.519 4.714 ( 3.715 5.109 1.430) 6.477 5.283 ( -10.286 -5.533 -0.434) 11.688 5.399 ( -9.258 8.505 0.596) 12.586 6.114 ( -3.420 -9.373 2.068) 10.189 6.368 ( 6.155 0.886 -0.273) 6.224 6.379 ( 3.094 4.377 -0.797) 5.419 6.439 ( 7.317 1.401 -0.331) 7.457 8.006 ( 5.184 -5.467 0.245) 7.538 8.094 ( 0.130 3.811 0.244) 3.821 8.292 ( -7.118 -7.408 0.476) 10.285 8.499 ( -1.941 9.778 -1.172) 10.037 8.669 ( -0.495 -5.704 0.351) 5.736 8.790 ( 2.876 5.619 -0.208) 6.316 9.084 ( -0.283 -1.805 0.624) 1.931 9.126 ( -2.177 1.111 -0.119) 2.447 9.322 ( -1.966 -1.690 -0.181) 2.598 9.370 ( 0.079 2.833 -0.347) 2.855 9.641 ( 1.741 0.195 1.012) 2.023 9.644 ( 1.260 -4.050 -0.196) 4.246 9.810 ( -1.310 1.886 0.074) 2.298 9.891 ( 0.691 3.585 -1.677) 4.017 10.001 ( 3.710 -4.132 1.011) 5.644 10.053 ( -1.579 0.625 0.530) 1.779 10.184 ( 1.444 -3.447 -0.887) 3.841 10.240 ( 3.173 3.300 -0.046) 4.578 ======================= Grid point 24 (25/75) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 6.471 -3.659 -0.000) 7.434 1.478 ( 20.570 -6.325 -0.000) 21.521 1.653 ( 0.758 4.148 0.000) 4.217 1.723 ( 1.761 2.690 0.000) 3.215 1.983 ( -1.761 5.294 0.000) 5.579 2.044 ( -0.025 4.036 0.000) 4.036 2.135 ( -4.108 0.666 0.000) 4.162 2.190 ( -3.180 -4.364 -0.000) 5.400 2.241 ( -1.631 -5.059 -0.000) 5.315 2.309 ( -0.554 1.887 0.000) 1.967 2.385 ( 4.766 -3.373 -0.000) 5.839 2.418 ( -0.331 4.540 0.000) 4.552 2.511 ( -1.108 6.107 0.000) 6.207 2.616 ( -0.691 -0.477 0.000) 0.840 2.635 ( -4.315 -1.147 0.000) 4.465 2.646 ( 13.678 0.178 -0.000) 13.679 2.656 ( -11.657 0.969 0.000) 11.697 2.768 ( 1.342 4.158 0.000) 4.370 2.850 ( -0.254 -4.775 -0.000) 4.781 2.982 ( -1.256 -0.982 0.000) 1.595 3.106 ( 1.079 -0.289 -0.000) 1.117 3.154 ( 2.560 -1.475 -0.000) 2.954 3.177 ( -6.086 5.554 0.000) 8.240 3.264 ( -2.983 3.106 0.000) 4.306 3.387 ( 2.623 -1.074 -0.000) 2.834 3.522 ( -4.260 -0.147 0.000) 4.263 3.924 ( -5.730 1.137 0.000) 5.842 3.972 ( -10.435 0.168 0.000) 10.436 4.520 ( 3.172 -2.535 -0.000) 4.060 4.740 ( -7.639 2.369 0.000) 7.998 5.421 ( 10.604 -2.210 -0.000) 10.832 5.708 ( 3.766 7.714 0.000) 8.584 6.060 ( 2.083 -7.801 -0.000) 8.074 6.247 ( -6.553 -1.727 0.000) 6.776 6.327 ( -7.302 3.047 0.000) 7.912 6.363 ( -2.293 1.813 0.000) 2.923 7.901 ( 0.325 1.167 0.000) 1.212 8.183 ( -3.344 8.319 0.000) 8.966 8.246 ( 4.344 -9.805 -0.000) 10.725 8.557 ( -3.171 -4.661 -0.000) 5.637 8.761 ( 8.422 0.429 -0.000) 8.433 8.789 ( 5.079 3.668 -0.000) 6.265 9.167 ( 4.462 -0.139 -0.000) 4.465 9.226 ( -0.732 3.542 0.000) 3.616 9.297 ( 1.062 1.402 0.000) 1.758 9.377 ( -2.864 0.723 0.000) 2.954 9.513 ( 2.010 -3.525 -0.000) 4.058 9.756 ( -2.080 -1.831 0.000) 2.771 9.808 ( -1.015 2.329 0.000) 2.541 9.881 ( -1.911 1.440 0.000) 2.393 10.007 ( -1.000 -1.764 -0.000) 2.028 10.009 ( -7.590 1.962 0.000) 7.840 10.097 ( 3.229 -1.370 -0.000) 3.508 10.230 ( -3.873 1.333 0.000) 4.096 ======================= Grid point 25 (26/75) ======================= q-point: (-0.07 -0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -14.441 -0.000 -13.394) 19.696 0.700 ( -20.424 -0.000 -12.587) 23.991 1.013 ( -31.434 -0.000 -17.205) 35.834 1.803 ( 4.473 0.000 4.093) 6.063 1.938 ( 4.756 0.000 -1.504) 4.989 1.972 ( -1.669 -0.000 -0.357) 1.707 2.143 ( -4.190 -0.000 5.177) 6.660 2.227 ( 3.005 0.000 -0.607) 3.065 2.276 ( 1.133 -0.000 5.763) 5.874 2.391 ( -2.865 -0.000 4.416) 5.264 2.414 ( 0.613 0.000 -0.077) 0.618 2.449 ( 1.041 0.000 -6.011) 6.101 2.520 ( 1.430 -0.000 4.972) 5.173 2.574 ( -0.032 0.000 -4.519) 4.519 2.645 ( -2.240 -0.000 -1.451) 2.669 2.718 ( 4.879 0.000 3.902) 6.248 2.744 ( 0.499 0.000 0.233) 0.551 2.802 ( -6.124 -0.000 0.667) 6.160 2.925 ( -4.772 0.000 -7.148) 8.595 2.963 ( 6.144 0.000 -1.604) 6.350 3.115 ( 0.844 -0.000 1.684) 1.884 3.253 ( -1.765 -0.000 0.874) 1.970 3.362 ( 5.431 0.000 -0.289) 5.439 3.464 ( 12.447 0.000 1.927) 12.596 3.552 ( 7.713 0.000 -1.908) 7.945 3.637 ( 1.017 0.000 -1.395) 1.726 4.050 ( 2.016 0.000 -3.665) 4.183 4.132 ( -2.633 -0.000 0.973) 2.807 4.297 ( -3.595 -0.000 -1.265) 3.811 4.842 ( -12.239 -0.000 -1.182) 12.296 4.958 ( 2.196 0.000 -0.101) 2.198 5.643 ( -6.154 -0.000 1.065) 6.246 5.816 ( 0.314 -0.000 2.714) 2.733 6.497 ( 1.451 0.000 -0.291) 1.480 6.591 ( 7.103 0.000 1.927) 7.359 6.597 ( 3.113 0.000 -1.089) 3.298 7.929 ( 2.092 0.000 0.165) 2.099 8.074 ( -4.964 -0.000 0.738) 5.018 8.111 ( 0.178 0.000 -0.801) 0.821 8.477 ( -3.525 -0.000 0.392) 3.547 8.822 ( 3.713 0.000 -3.980) 5.443 8.878 ( 6.303 0.000 -0.301) 6.311 9.073 ( -0.428 -0.000 0.176) 0.463 9.162 ( -4.913 -0.000 0.133) 4.915 9.210 ( -2.767 -0.000 -0.979) 2.935 9.213 ( -6.794 -0.000 -3.990) 7.880 9.318 ( -3.534 -0.000 0.186) 3.539 9.840 ( 0.708 0.000 -0.064) 0.711 9.862 ( -3.162 -0.000 -0.889) 3.284 9.954 ( 4.007 0.000 1.485) 4.273 10.018 ( -5.174 -0.000 0.801) 5.236 10.041 ( 1.872 0.000 0.459) 1.927 10.105 ( 4.606 0.000 -0.403) 4.624 10.377 ( 2.103 0.000 0.429) 2.147 ======================= Grid point 26 (27/75) ======================= q-point: ( 0.13 0.37 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 2.201 2.059 -8.056) 8.601 1.527 ( -2.720 2.354 4.905) 6.083 1.805 ( 17.036 1.559 -3.113) 17.388 1.964 ( 3.537 -1.083 0.151) 3.702 2.000 ( 1.936 -1.361 4.637) 5.206 2.040 ( -0.470 -0.351 0.205) 0.621 2.106 ( -3.740 0.891 0.524) 3.880 2.158 ( -2.529 -2.477 -1.278) 3.763 2.207 ( -0.856 -1.225 2.057) 2.542 2.248 ( -2.682 -0.163 -0.453) 2.725 2.317 ( -2.013 1.661 -3.180) 4.114 2.355 ( -2.750 -0.674 1.108) 3.040 2.497 ( 0.956 1.124 7.271) 7.419 2.545 ( 0.860 1.271 1.914) 2.453 2.590 ( 0.734 -6.171 -4.440) 7.638 2.603 ( -2.770 1.683 -2.515) 4.102 2.653 ( -3.443 -2.042 -6.035) 7.242 2.670 ( -2.154 -2.599 -4.688) 5.777 2.816 ( 0.535 3.293 0.760) 3.421 2.849 ( -3.247 2.626 -0.497) 4.206 3.140 ( 4.141 0.867 -3.594) 5.551 3.204 ( -0.605 1.325 0.883) 1.704 3.271 ( 12.554 -1.525 3.062) 13.011 3.340 ( 5.299 -1.311 2.041) 5.828 3.405 ( 2.840 -1.970 0.475) 3.489 3.444 ( 1.289 1.068 -0.811) 1.860 3.680 ( -11.552 1.391 -1.264) 11.703 3.704 ( -12.914 0.089 -1.511) 13.002 4.502 ( 3.692 1.580 -3.614) 5.403 4.604 ( -5.669 -0.912 1.880) 6.042 5.620 ( 8.178 1.081 0.064) 8.249 5.749 ( -2.769 -2.034 0.547) 3.479 6.055 ( 1.689 -1.162 -1.111) 2.332 6.164 ( -5.998 -2.640 0.003) 6.553 6.210 ( 3.776 4.300 -0.578) 5.751 6.313 ( -4.770 2.876 0.628) 5.605 7.949 ( 4.667 -6.313 -0.224) 7.854 8.070 ( -6.263 -9.413 0.025) 11.306 8.346 ( 5.082 11.073 -0.050) 12.184 8.460 ( -5.752 10.129 0.283) 11.652 8.923 ( 8.659 -2.964 -0.924) 9.199 8.968 ( 7.403 -6.523 0.010) 9.866 9.159 ( -3.696 0.928 0.301) 3.823 9.216 ( -2.913 -2.022 0.034) 3.546 9.293 ( 3.247 1.405 -2.252) 4.194 9.379 ( 0.438 -2.770 2.007) 3.448 9.546 ( 0.552 4.933 1.866) 5.303 9.622 ( -5.678 1.448 -5.097) 7.767 9.805 ( 1.139 0.094 -0.358) 1.197 9.861 ( -0.574 -1.446 2.250) 2.735 9.893 ( -0.229 0.579 3.335) 3.393 9.983 ( -2.102 -2.241 -3.434) 4.608 10.065 ( 0.517 1.540 -1.059) 1.939 10.140 ( -4.594 -0.773 0.351) 4.672 ======================= Grid point 27 (28/75) ======================= q-point: ( 0.32 -0.08 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -0.000 20.970 0.985) 20.993 0.886 ( -0.000 17.027 10.350) 19.926 1.408 ( 0.000 -10.908 -9.867) 14.709 1.582 ( -0.000 25.895 8.512) 27.259 1.628 ( 0.000 -6.617 -8.297) 10.612 1.879 ( -0.000 -3.836 13.303) 13.845 2.232 ( -0.000 -7.046 8.845) 11.308 2.308 ( 0.000 -1.216 -4.232) 4.404 2.345 ( 0.000 2.497 -3.814) 4.559 2.391 ( 0.000 2.596 -0.072) 2.597 2.426 ( 0.000 -0.426 -0.799) 0.906 2.459 ( -0.000 -6.479 2.750) 7.039 2.534 ( 0.000 2.910 -1.343) 3.204 2.565 ( 0.000 -6.765 -6.345) 9.275 2.611 ( -0.000 0.403 0.723) 0.828 2.666 ( 0.000 5.123 -3.404) 6.150 2.732 ( 0.000 -1.064 -1.141) 1.560 2.756 ( 0.000 0.699 -3.318) 3.391 2.906 ( -0.000 -5.473 1.510) 5.677 2.998 ( 0.000 -5.636 -1.640) 5.870 3.110 ( -0.000 9.065 7.001) 11.454 3.324 ( -0.000 7.428 3.553) 8.234 3.426 ( 0.000 -1.596 -1.857) 2.448 3.517 ( -0.000 -3.315 0.656) 3.380 3.549 ( -0.000 -2.616 0.974) 2.792 3.593 ( 0.000 0.607 -2.653) 2.721 3.985 ( -0.000 0.475 4.756) 4.779 4.127 ( 0.000 1.714 -2.143) 2.745 4.732 ( -0.000 15.738 1.440) 15.804 4.838 ( -0.000 5.493 0.536) 5.519 4.947 ( -0.000 -2.150 0.321) 2.174 5.133 ( 0.000 -15.603 -1.750) 15.700 6.187 ( 0.000 11.166 -2.814) 11.516 6.269 ( -0.000 -11.097 2.488) 11.373 6.612 ( -0.000 -0.183 0.148) 0.235 6.641 ( 0.000 -1.300 -0.830) 1.542 8.026 ( 0.000 1.256 -0.541) 1.367 8.032 ( -0.000 -2.179 0.686) 2.284 8.295 ( 0.000 15.023 -1.114) 15.065 8.495 ( -0.000 -13.901 2.287) 14.088 8.648 ( -0.000 8.041 -0.054) 8.041 8.778 ( -0.000 -7.006 0.431) 7.020 9.078 ( -0.000 1.113 1.201) 1.637 9.129 ( 0.000 -0.821 -0.318) 0.880 9.227 ( -0.000 2.357 1.792) 2.961 9.251 ( 0.000 3.986 -0.384) 4.005 9.608 ( -0.000 8.683 0.559) 8.701 9.762 ( 0.000 -4.085 -0.360) 4.101 9.764 ( -0.000 0.181 1.194) 1.208 9.880 ( 0.000 -3.240 -1.720) 3.669 10.028 ( 0.000 3.457 -1.002) 3.599 10.063 ( -0.000 -4.441 0.744) 4.503 10.230 ( -0.000 5.332 0.423) 5.349 10.333 ( 0.000 -3.541 -0.449) 3.570 ======================= Grid point 28 (29/75) ======================= q-point: ( 0.52 -0.52 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -3.717 -11.005 -0.000) 11.616 1.620 ( -1.028 8.184 0.000) 8.248 1.694 ( 1.253 3.804 0.000) 4.005 1.883 ( -12.566 -0.672 0.000) 12.584 2.002 ( 2.134 -3.949 -0.000) 4.489 2.042 ( -3.047 0.065 0.000) 3.048 2.141 ( -4.293 4.058 0.000) 5.907 2.174 ( 4.591 -4.867 -0.000) 6.691 2.186 ( -1.028 -0.352 0.000) 1.087 2.245 ( 0.023 1.019 0.000) 1.019 2.316 ( 4.141 -3.232 -0.000) 5.253 2.390 ( -0.550 -0.402 0.000) 0.681 2.406 ( 2.446 -1.066 -0.000) 2.668 2.491 ( 1.132 -1.129 -0.000) 1.599 2.495 ( 2.638 3.754 0.000) 4.589 2.630 ( 0.505 -6.350 -0.000) 6.370 2.673 ( 1.661 6.641 0.000) 6.846 2.729 ( -0.148 1.158 0.000) 1.168 2.912 ( -3.228 1.062 0.000) 3.398 2.937 ( -1.622 -7.620 -0.000) 7.790 3.040 ( -1.526 -4.968 -0.000) 5.197 3.205 ( -8.466 0.750 0.000) 8.499 3.233 ( 0.753 5.284 0.000) 5.337 3.314 ( -3.733 3.881 0.000) 5.385 3.434 ( 1.597 -1.072 -0.000) 1.923 3.449 ( -5.887 -0.613 0.000) 5.919 3.687 ( 12.764 -1.062 -0.000) 12.808 3.715 ( 7.015 -2.288 -0.000) 7.379 4.488 ( -0.021 -3.640 -0.000) 3.640 4.619 ( 1.252 1.584 0.000) 2.020 5.635 ( -5.656 -1.374 0.000) 5.820 5.725 ( -3.232 2.854 0.000) 4.312 6.038 ( 2.887 -2.333 -0.000) 3.712 6.113 ( 5.798 2.443 -0.000) 6.292 6.276 ( -3.293 -3.586 0.000) 4.868 6.361 ( 1.750 0.080 -0.000) 1.752 7.874 ( -0.471 0.648 0.000) 0.801 7.929 ( 3.903 5.368 0.000) 6.637 8.544 ( -2.630 -9.386 -0.000) 9.747 8.632 ( 3.606 -5.331 -0.000) 6.436 8.829 ( -7.120 6.012 0.000) 9.318 8.832 ( -6.960 4.006 0.000) 8.031 9.175 ( 1.731 -0.323 -0.000) 1.761 9.185 ( 0.020 1.062 0.000) 1.062 9.248 ( 0.116 -0.571 -0.000) 0.583 9.398 ( -2.684 0.955 0.000) 2.849 9.556 ( 1.677 -2.119 -0.000) 2.703 9.679 ( -1.166 -4.224 -0.000) 4.382 9.805 ( 0.562 0.212 -0.000) 0.600 9.853 ( 2.886 2.049 -0.000) 3.540 9.859 ( 3.896 2.171 -0.000) 4.460 10.008 ( -3.213 -0.805 0.000) 3.312 10.076 ( 1.780 -1.750 -0.000) 2.496 10.136 ( 3.087 0.870 -0.000) 3.207 ======================= Grid point 30 (30/75) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -17.152 -0.000 -1.947) 17.262 1.469 ( -5.125 0.000 -8.986) 10.345 1.473 ( 4.259 -0.000 15.564) 16.136 1.947 ( -3.930 0.000 -7.858) 8.786 1.961 ( 0.811 -0.000 2.473) 2.602 2.096 ( 1.749 0.000 -0.057) 1.750 2.136 ( 0.954 0.000 -1.946) 2.167 2.232 ( -4.145 -0.000 11.220) 11.961 2.236 ( 1.347 0.000 -1.999) 2.411 2.260 ( 2.768 0.000 0.877) 2.904 2.338 ( 1.503 0.000 0.613) 1.623 2.423 ( -0.346 0.000 -7.428) 7.436 2.445 ( -0.517 -0.000 1.742) 1.817 2.538 ( -9.494 -0.000 0.926) 9.539 2.619 ( -2.044 -0.000 4.186) 4.658 2.658 ( 5.541 0.000 1.341) 5.701 2.708 ( 4.641 0.000 -0.732) 4.699 2.766 ( 6.880 0.000 3.949) 7.933 2.790 ( -0.968 0.000 -2.721) 2.888 2.901 ( 8.533 0.000 11.229) 14.104 3.059 ( -3.971 -0.000 -3.441) 5.254 3.059 ( -2.579 -0.000 4.376) 5.079 3.231 ( 2.229 0.000 0.735) 2.347 3.296 ( -3.065 -0.000 -0.804) 3.169 3.315 ( -1.214 -0.000 0.354) 1.265 3.489 ( 3.833 0.000 1.353) 4.065 3.921 ( 10.668 0.000 2.162) 10.885 3.947 ( 8.434 0.000 -0.450) 8.446 4.407 ( -2.670 -0.000 3.741) 4.596 4.741 ( 5.427 0.000 0.854) 5.493 5.411 ( -10.427 -0.000 -0.525) 10.440 5.803 ( -1.762 -0.000 0.725) 1.906 5.969 ( -7.486 -0.000 -0.833) 7.533 6.147 ( 7.689 0.000 3.701) 8.534 6.362 ( 5.017 0.000 0.255) 5.023 6.407 ( 7.271 0.000 -1.572) 7.439 7.929 ( -3.971 -0.000 0.107) 3.973 8.131 ( -2.054 -0.000 0.101) 2.056 8.271 ( -1.589 -0.000 0.570) 1.688 8.505 ( 11.117 0.000 -0.637) 11.135 8.740 ( -9.336 -0.000 1.212) 9.415 8.853 ( -5.886 -0.000 -1.146) 5.996 9.111 ( -4.695 -0.000 2.422) 5.283 9.261 ( 3.300 0.000 0.022) 3.301 9.353 ( -4.756 -0.000 -1.031) 4.866 9.386 ( 3.489 0.000 -0.029) 3.489 9.456 ( -2.397 -0.000 0.320) 2.418 9.761 ( 7.547 0.000 6.160) 9.742 9.794 ( 0.531 0.000 -0.239) 0.583 9.819 ( -0.362 0.000 -2.155) 2.185 9.974 ( -1.231 -0.000 0.080) 1.234 10.030 ( 5.688 0.000 -0.127) 5.689 10.077 ( 0.211 -0.000 0.327) 0.389 10.236 ( 3.458 0.000 0.328) 3.473 ======================= Grid point 31 (31/75) ======================= q-point: ( 0.11 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 18.097 7.056 1.042) 19.452 1.132 ( 15.556 5.034 7.081) 17.817 1.651 ( 2.483 -8.868 -0.236) 9.212 1.742 ( 2.527 0.375 1.777) 3.112 1.828 ( 18.482 8.003 7.935) 21.647 1.993 ( -0.405 -9.528 -4.687) 10.626 2.160 ( -1.785 6.987 0.065) 7.212 2.212 ( -3.278 3.843 -1.212) 5.194 2.307 ( 0.801 -5.199 4.214) 6.740 2.319 ( -3.334 4.594 0.928) 5.751 2.426 ( -0.245 -1.740 -0.211) 1.770 2.464 ( -0.876 -6.226 -1.045) 6.374 2.484 ( -0.855 0.412 -5.531) 5.612 2.530 ( -0.335 -0.706 -5.828) 5.880 2.553 ( -9.263 1.550 -2.509) 9.721 2.674 ( 0.878 -1.546 -0.451) 1.834 2.771 ( -1.752 1.296 1.684) 2.754 2.836 ( -2.125 2.004 5.162) 5.931 2.916 ( 2.239 -1.659 -2.070) 3.471 2.988 ( 0.589 -2.896 2.592) 3.931 3.093 ( -1.483 0.777 -2.798) 3.261 3.132 ( -5.532 -4.661 -3.627) 8.092 3.263 ( -4.520 1.019 -2.603) 5.315 3.348 ( 0.198 1.210 1.591) 2.008 3.353 ( -7.215 -1.365 1.041) 7.416 3.585 ( -2.745 -0.550 -1.194) 3.044 4.002 ( -1.160 -1.149 2.046) 2.618 4.115 ( -4.328 -0.492 -1.533) 4.618 4.454 ( 1.797 6.714 -0.306) 6.957 4.853 ( -4.451 -2.360 -1.532) 5.265 5.176 ( 13.077 3.061 0.813) 13.455 5.602 ( 5.946 -10.524 -0.455) 12.096 6.004 ( 2.165 10.647 -1.297) 10.942 6.406 ( -8.116 -0.262 -1.530) 8.264 6.410 ( -2.991 -3.908 0.696) 4.970 6.478 ( -6.057 -2.460 0.532) 6.559 7.933 ( -3.235 3.625 -0.258) 4.865 8.165 ( 3.437 5.794 0.105) 6.738 8.171 ( 3.974 -2.486 -0.439) 4.708 8.598 ( -2.180 -7.842 1.494) 8.276 8.611 ( 4.948 2.508 -0.439) 5.565 8.821 ( -4.788 1.305 0.881) 5.040 9.095 ( 1.414 0.678 -0.876) 1.797 9.180 ( 3.778 -4.845 -0.082) 6.145 9.281 ( 2.041 0.963 0.350) 2.283 9.366 ( 4.326 -0.173 1.049) 4.455 9.471 ( 1.809 5.986 0.518) 6.275 9.795 ( 0.331 -3.005 -1.578) 3.410 9.834 ( -4.306 -0.339 0.021) 4.319 9.893 ( 0.476 -4.282 1.448) 4.545 10.009 ( -0.521 1.715 -1.973) 2.665 10.070 ( -2.117 4.949 0.228) 5.387 10.096 ( 0.528 -0.908 -0.433) 1.137 10.296 ( -3.369 -1.893 -0.254) 3.873 ======================= Grid point 32 (32/75) ======================= q-point: ( 0.31 -0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -14.366 10.692 0.000) 17.908 1.258 ( -16.400 13.735 0.000) 21.392 1.537 ( 0.870 -3.870 -0.000) 3.966 1.657 ( -0.978 -2.839 -0.000) 3.003 1.895 ( 2.221 -7.316 -0.000) 7.646 1.974 ( -8.682 8.588 0.000) 12.212 2.013 ( -7.794 -11.332 -0.000) 13.754 2.216 ( 4.411 0.146 -0.000) 4.414 2.314 ( 2.412 3.165 0.000) 3.979 2.390 ( 2.023 -1.486 -0.000) 2.510 2.407 ( 2.763 0.214 -0.000) 2.771 2.414 ( 1.084 5.969 0.000) 6.067 2.520 ( -0.537 -2.566 -0.000) 2.621 2.586 ( 6.845 -0.986 -0.000) 6.916 2.614 ( -3.919 -4.295 0.000) 5.814 2.691 ( 2.277 3.013 0.000) 3.777 2.728 ( 6.383 1.836 -0.000) 6.642 2.813 ( 2.263 -0.020 -0.000) 2.264 2.878 ( 3.175 -4.570 -0.000) 5.565 2.914 ( -2.192 0.265 0.000) 2.208 3.069 ( 2.814 -7.172 -0.000) 7.704 3.095 ( -4.222 -6.248 -0.000) 7.541 3.295 ( 6.450 -2.087 -0.000) 6.780 3.341 ( 6.542 2.157 -0.000) 6.888 3.349 ( 0.431 5.402 0.000) 5.419 3.587 ( 2.154 -1.111 -0.000) 2.423 3.974 ( 0.949 0.396 -0.000) 1.028 4.118 ( 4.485 -0.858 -0.000) 4.566 4.587 ( 1.122 7.002 0.000) 7.091 4.789 ( 5.129 -6.256 -0.000) 8.090 5.256 ( -11.708 6.139 0.000) 13.220 5.421 ( -7.983 -8.811 0.000) 11.890 6.214 ( -0.363 10.266 0.000) 10.272 6.262 ( -1.405 -8.494 -0.000) 8.609 6.426 ( 7.512 -3.018 -0.000) 8.095 6.432 ( 8.115 0.403 -0.000) 8.125 8.015 ( 4.079 4.433 -0.000) 6.024 8.106 ( 1.498 -4.832 -0.000) 5.059 8.317 ( -5.369 9.933 0.000) 11.291 8.428 ( -4.520 -8.061 -0.000) 9.242 8.688 ( -1.346 4.972 0.000) 5.151 8.778 ( 2.925 -5.112 -0.000) 5.889 9.115 ( -1.826 0.619 0.000) 1.928 9.116 ( -1.679 -2.268 -0.000) 2.822 9.313 ( -0.640 2.872 0.000) 2.942 9.349 ( -3.180 -0.945 0.000) 3.317 9.557 ( 1.087 4.055 0.000) 4.199 9.768 ( 0.916 -2.900 -0.000) 3.041 9.798 ( -2.578 -3.120 -0.000) 4.047 9.852 ( 2.220 1.971 -0.000) 2.969 10.039 ( -1.541 0.638 0.000) 1.668 10.062 ( 2.180 -2.861 -0.000) 3.597 10.167 ( 2.875 4.638 0.000) 5.457 10.251 ( 2.432 -2.983 -0.000) 3.849 ======================= Grid point 33 (33/75) ======================= q-point: (-0.49 0.24 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 4.472 -7.404 -2.508) 9.006 1.585 ( 9.621 2.627 -0.022) 9.973 1.609 ( 13.968 -3.895 0.135) 14.501 1.702 ( -2.601 -0.286 -1.389) 2.962 1.836 ( 1.840 7.916 -5.121) 9.606 1.965 ( -0.196 4.449 1.672) 4.757 2.138 ( -3.638 -0.173 -1.487) 3.933 2.226 ( -1.058 0.847 0.555) 1.465 2.284 ( -2.614 0.893 2.293) 3.590 2.339 ( -3.631 -0.066 -1.003) 3.768 2.380 ( -2.702 -1.316 -0.048) 3.006 2.427 ( -0.367 2.962 2.466) 3.871 2.459 ( 0.918 -0.062 -0.902) 1.288 2.509 ( -2.191 -5.036 1.302) 5.644 2.592 ( 0.814 1.314 2.150) 2.648 2.655 ( 5.349 -0.590 0.120) 5.383 2.667 ( -2.701 -0.554 0.519) 2.805 2.773 ( -2.043 1.634 -5.773) 6.338 2.878 ( -3.015 8.578 2.712) 9.488 2.935 ( 2.378 -3.827 -1.089) 4.635 3.057 ( 2.097 4.153 4.938) 6.785 3.110 ( 2.409 -0.857 3.186) 4.085 3.162 ( -2.540 1.063 -2.263) 3.564 3.237 ( -2.091 -0.383 0.617) 2.213 3.401 ( 0.512 -1.354 -1.907) 2.394 3.513 ( -2.972 0.751 1.094) 3.255 3.907 ( -6.786 0.886 -0.573) 6.868 3.950 ( -9.982 0.598 1.344) 10.090 4.574 ( -0.343 -4.376 0.738) 4.451 4.665 ( -5.762 5.276 0.265) 7.818 5.483 ( 9.686 -4.324 -0.018) 10.607 5.576 ( 6.753 6.286 -0.254) 9.229 6.188 ( -4.668 -5.406 0.179) 7.145 6.259 ( -7.848 3.470 0.090) 8.581 6.286 ( -1.770 -3.987 1.558) 4.632 6.313 ( 1.311 4.856 -1.401) 5.221 7.921 ( -3.648 -3.717 0.250) 5.214 8.024 ( -5.119 7.892 -0.100) 9.408 8.452 ( 6.242 -11.392 -0.079) 12.990 8.612 ( 10.272 2.250 -0.605) 10.533 8.698 ( -3.775 3.599 -0.213) 5.220 8.737 ( 4.422 1.528 0.718) 4.733 9.162 ( 3.026 -0.012 0.569) 3.079 9.168 ( 2.503 2.148 -0.258) 3.309 9.300 ( -1.694 -0.707 -0.931) 2.058 9.355 ( -1.753 1.117 0.580) 2.158 9.581 ( 1.259 -2.576 -1.576) 3.272 9.730 ( -0.112 3.619 2.177) 4.225 9.809 ( -1.168 -2.577 -0.470) 2.868 9.853 ( 0.623 0.519 0.731) 1.092 9.967 ( -6.313 2.735 -1.015) 6.954 10.007 ( -3.049 -0.519 1.877) 3.618 10.140 ( -0.253 -2.679 -0.138) 2.694 10.194 ( -3.278 2.270 0.172) 3.990 ======================= Grid point 34 (34/75) ======================= q-point: (-0.29 -0.21 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -8.021 -2.897 -15.598) 17.777 1.029 ( -10.816 -7.198 -15.657) 20.346 1.555 ( -14.063 -14.218 -15.302) 25.181 1.592 ( -1.152 11.280 1.174) 11.399 1.719 ( -4.347 10.963 6.073) 13.265 2.044 ( 4.242 1.224 -0.941) 4.514 2.170 ( -0.920 -6.824 2.310) 7.263 2.211 ( -4.001 -1.961 7.103) 8.385 2.239 ( 2.733 -6.552 3.111) 7.750 2.375 ( 0.910 -0.727 0.648) 1.333 2.406 ( 0.853 0.865 -1.520) 1.946 2.427 ( 3.251 -3.444 3.489) 5.883 2.491 ( 3.577 4.233 -3.103) 6.351 2.594 ( 2.691 3.822 -1.613) 4.945 2.668 ( 2.605 -1.744 1.843) 3.637 2.669 ( 1.354 0.773 -0.557) 1.655 2.736 ( -4.829 3.922 1.806) 6.478 2.817 ( -3.675 -2.120 -1.360) 4.456 2.925 ( 1.128 4.642 2.949) 5.614 2.977 ( -1.518 3.164 3.049) 4.649 3.079 ( 4.153 -1.110 -3.724) 5.688 3.275 ( 8.444 1.289 -1.415) 8.658 3.361 ( 1.459 -2.331 -1.835) 3.306 3.445 ( 8.490 -1.263 1.394) 8.696 3.566 ( 8.247 2.600 -2.423) 8.980 3.621 ( 2.193 3.867 -0.329) 4.458 4.088 ( 0.955 1.759 -3.239) 3.807 4.105 ( -0.774 0.933 0.592) 1.349 4.464 ( 1.065 -11.407 -2.059) 11.640 4.888 ( -2.610 -0.582 -0.373) 2.700 4.959 ( -4.229 -1.160 -0.643) 4.432 5.445 ( -6.807 12.023 1.873) 13.942 5.917 ( -1.556 -11.312 3.926) 12.075 6.466 ( 0.902 4.726 -1.807) 5.139 6.551 ( 7.234 -0.098 1.925) 7.486 6.591 ( 3.412 2.175 -0.633) 4.096 8.004 ( 3.454 -7.295 0.486) 8.086 8.056 ( -4.671 0.210 0.752) 4.736 8.117 ( -1.552 0.202 -0.688) 1.710 8.526 ( -2.305 -5.684 0.447) 6.150 8.737 ( 5.634 11.131 -3.193) 12.878 8.922 ( 1.116 3.677 -1.316) 4.062 9.076 ( 0.152 -0.707 0.146) 0.737 9.109 ( -1.715 1.023 0.159) 2.003 9.241 ( -1.827 -0.895 -0.845) 2.203 9.315 ( -3.907 -0.405 -4.796) 6.199 9.451 ( -1.521 -10.234 -0.960) 10.391 9.793 ( 2.045 3.267 0.610) 3.902 9.861 ( -3.395 1.994 -1.488) 4.209 9.897 ( 2.168 3.272 1.030) 4.058 10.005 ( -4.392 -0.795 1.465) 4.698 10.069 ( 5.010 -0.574 -0.121) 5.045 10.133 ( 2.034 -3.186 -0.922) 3.890 10.351 ( 2.018 1.747 0.510) 2.718 ======================= Grid point 35 (35/75) ======================= q-point: (-0.10 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -3.349 -0.000 6.245) 7.087 1.606 ( 1.620 0.000 -6.639) 6.834 1.859 ( 18.045 0.000 -2.225) 18.182 1.908 ( 6.027 0.000 6.744) 9.044 1.995 ( -0.688 0.000 -1.998) 2.113 2.063 ( -2.583 -0.000 1.622) 3.050 2.065 ( -2.407 -0.000 -0.869) 2.559 2.139 ( -2.017 -0.000 4.024) 4.501 2.164 ( -4.533 -0.000 2.750) 5.303 2.267 ( -4.969 -0.000 -0.176) 4.972 2.343 ( -7.484 -0.000 1.532) 7.639 2.364 ( -0.184 0.000 -3.307) 3.312 2.443 ( 0.584 0.000 -4.505) 4.543 2.457 ( -2.748 -0.000 1.499) 3.130 2.590 ( -2.227 -0.000 5.490) 5.925 2.661 ( -1.580 -0.000 4.429) 4.702 2.779 ( 2.702 0.000 -4.109) 4.918 2.783 ( -2.855 0.000 -5.914) 6.567 2.828 ( -0.186 0.000 -3.424) 3.429 2.923 ( -9.941 -0.000 -9.014) 13.419 3.125 ( 4.132 0.000 5.463) 6.850 3.167 ( 1.885 0.000 -1.133) 2.200 3.267 ( 10.710 0.000 0.490) 10.721 3.344 ( 1.229 0.000 0.140) 1.237 3.396 ( 9.010 0.000 1.407) 9.119 3.435 ( -1.717 -0.000 0.059) 1.718 3.697 ( -13.407 -0.000 -1.720) 13.517 3.731 ( -12.981 -0.000 -1.160) 13.033 4.556 ( 4.327 0.000 -3.091) 5.318 4.579 ( -8.880 -0.000 1.385) 8.987 5.603 ( 8.670 0.000 0.297) 8.675 5.768 ( -5.167 -0.000 0.032) 5.167 6.101 ( 6.512 0.000 0.555) 6.536 6.138 ( 1.978 0.000 -1.642) 2.571 6.226 ( -7.879 -0.000 0.828) 7.922 6.256 ( -5.605 -0.000 -0.298) 5.613 8.065 ( 8.628 0.000 -0.246) 8.632 8.190 ( 3.094 0.000 0.101) 3.095 8.258 ( -11.018 -0.000 0.461) 11.027 8.264 ( -2.524 -0.000 -0.335) 2.546 8.965 ( 9.845 0.000 -0.630) 9.865 9.035 ( 11.049 0.000 0.237) 11.051 9.140 ( -8.273 -0.000 0.211) 8.276 9.249 ( -8.921 -0.000 0.103) 8.922 9.297 ( 8.286 0.000 -1.325) 8.391 9.420 ( 4.235 0.000 2.134) 4.742 9.426 ( -6.338 -0.000 0.430) 6.353 9.697 ( -8.691 -0.000 -3.976) 9.557 9.797 ( 4.956 0.000 2.586) 5.590 9.823 ( 1.931 0.000 0.019) 1.931 9.869 ( -6.066 -0.000 0.559) 6.092 10.055 ( 4.561 0.000 -0.568) 4.596 10.074 ( -3.920 -0.000 -2.921) 4.888 10.142 ( -5.325 -0.000 0.360) 5.337 ======================= Grid point 36 (36/75) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( -0.000 21.159 0.000) 21.159 0.454 ( -0.000 23.919 0.000) 23.919 0.749 ( -0.000 39.466 0.000) 39.466 1.726 ( 0.000 -9.738 -0.000) 9.738 1.854 ( 0.000 -10.584 -0.000) 10.584 2.016 ( 0.000 -13.357 -0.000) 13.357 2.200 ( -0.000 12.670 0.000) 12.670 2.224 ( 0.000 -6.008 -0.000) 6.008 2.307 ( -0.000 5.752 0.000) 5.752 2.371 ( -0.000 0.071 0.000) 0.071 2.456 ( -0.000 2.572 0.000) 2.572 2.485 ( 0.000 -0.076 -0.000) 0.076 2.537 ( 0.000 -4.290 -0.000) 4.290 2.564 ( -0.000 4.327 0.000) 4.327 2.610 ( -0.000 3.382 0.000) 3.382 2.729 ( 0.000 -3.604 -0.000) 3.604 2.775 ( 0.000 -1.337 -0.000) 1.337 2.786 ( -0.000 0.156 0.000) 0.156 2.827 ( -0.000 9.477 0.000) 9.477 3.028 ( 0.000 -1.986 -0.000) 1.986 3.118 ( 0.000 -3.047 -0.000) 3.047 3.181 ( 0.000 -0.096 -0.000) 0.096 3.435 ( -0.000 0.590 0.000) 0.590 3.570 ( 0.000 -4.199 -0.000) 4.199 3.576 ( 0.000 -1.387 -0.000) 1.387 3.634 ( 0.000 -1.052 -0.000) 1.052 3.959 ( 0.000 -3.872 -0.000) 3.872 4.111 ( -0.000 1.505 0.000) 1.505 4.424 ( -0.000 14.863 0.000) 14.863 4.720 ( -0.000 5.220 0.000) 5.220 4.974 ( 0.000 -1.026 -0.000) 1.026 5.433 ( 0.000 -13.941 -0.000) 13.941 6.001 ( -0.000 11.343 0.000) 11.343 6.432 ( 0.000 -7.762 -0.000) 7.762 6.617 ( 0.000 -0.353 -0.000) 0.353 6.676 ( 0.000 -1.127 -0.000) 1.127 8.016 ( -0.000 0.436 0.000) 0.436 8.058 ( -0.000 10.198 0.000) 10.198 8.071 ( 0.000 -2.542 -0.000) 2.542 8.508 ( -0.000 6.270 0.000) 6.270 8.708 ( 0.000 -10.934 -0.000) 10.934 8.889 ( 0.000 -5.154 -0.000) 5.154 9.051 ( -0.000 0.024 0.000) 0.024 9.117 ( -0.000 2.896 0.000) 2.896 9.134 ( -0.000 4.260 0.000) 4.260 9.199 ( -0.000 0.719 0.000) 0.719 9.442 ( -0.000 8.258 0.000) 8.258 9.794 ( 0.000 -3.582 -0.000) 3.582 9.811 ( 0.000 -1.432 -0.000) 1.432 9.947 ( 0.000 -2.158 -0.000) 2.158 9.984 ( -0.000 2.112 0.000) 2.112 10.119 ( -0.000 5.568 0.000) 5.568 10.128 ( 0.000 -2.794 -0.000) 2.794 10.387 ( 0.000 -1.797 -0.000) 1.797 ======================= Grid point 37 (37/75) ======================= q-point: ( 0.30 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 2.188 3.033 -3.578) 5.176 1.632 ( 1.070 -1.616 4.618) 5.008 1.706 ( -2.719 -5.341 -11.271) 12.766 1.945 ( -10.201 1.592 -0.741) 10.351 1.970 ( -11.176 1.682 -0.031) 11.302 2.012 ( -3.140 0.895 0.527) 3.307 2.100 ( -0.204 1.067 0.814) 1.357 2.167 ( 4.996 -0.407 0.025) 5.012 2.221 ( 2.865 0.322 1.918) 3.463 2.256 ( 3.306 0.824 -0.050) 3.407 2.296 ( 3.652 -1.453 -0.967) 4.047 2.421 ( 4.629 2.222 2.851) 5.874 2.439 ( 0.977 -1.322 -0.455) 1.706 2.488 ( -0.783 -4.636 -1.361) 4.894 2.498 ( 0.851 2.622 -5.491) 6.144 2.641 ( -0.441 0.637 3.641) 3.722 2.704 ( 6.708 -6.428 6.068) 11.097 2.747 ( 3.301 -2.482 -5.442) 6.832 2.817 ( -1.837 -0.779 7.069) 7.345 2.968 ( 2.689 4.121 5.847) 7.642 3.123 ( 1.299 -2.974 -5.268) 6.187 3.212 ( -14.433 1.210 -2.001) 14.622 3.236 ( -2.897 1.744 -0.198) 3.388 3.249 ( -5.112 -0.650 -3.010) 5.968 3.415 ( -0.387 0.576 1.848) 1.973 3.468 ( 0.401 -0.617 0.433) 0.854 3.704 ( 11.862 -0.509 0.363) 11.879 3.727 ( 8.968 -0.436 1.242) 9.064 4.552 ( 4.364 -1.914 -1.069) 4.884 4.579 ( -0.803 1.265 1.769) 2.318 5.662 ( -6.876 2.752 0.490) 7.423 5.684 ( -2.449 -2.910 -0.743) 3.876 6.074 ( 3.194 1.232 0.512) 3.462 6.099 ( 6.565 -3.397 -0.276) 7.397 6.313 ( -2.223 4.079 0.705) 4.698 6.323 ( 0.633 -0.488 -0.720) 1.075 7.882 ( -0.191 -0.733 0.141) 0.770 7.924 ( 3.944 -5.616 -0.099) 6.863 8.554 ( -3.791 10.124 0.138) 10.811 8.608 ( 3.418 4.841 -0.450) 5.943 8.834 ( -7.568 -6.027 0.085) 9.675 8.853 ( -4.669 -5.446 0.353) 7.182 9.169 ( 1.644 0.782 -0.179) 1.829 9.185 ( 2.143 -0.895 -0.097) 2.325 9.294 ( -0.809 -1.969 -2.066) 2.966 9.361 ( -3.239 1.272 1.862) 3.947 9.583 ( 1.363 1.853 -1.822) 2.935 9.710 ( 2.794 -0.848 2.773) 4.026 9.802 ( -0.417 0.584 -1.639) 1.789 9.819 ( 1.298 0.600 0.418) 1.490 9.857 ( 2.494 0.056 -1.543) 2.933 10.003 ( -1.628 -1.652 2.756) 3.602 10.107 ( 2.873 0.152 0.296) 2.892 10.114 ( 3.055 -0.469 0.103) 3.093 ======================= Grid point 39 (38/75) ======================= q-point: (-0.31 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 6.830 -9.856 14.245) 18.620 1.461 ( -11.050 -0.429 -5.163) 12.205 1.683 ( -1.814 -3.733 -7.787) 8.824 1.837 ( -3.039 7.307 2.960) 8.449 1.970 ( -6.193 1.415 9.155) 11.143 2.014 ( -10.717 9.683 -5.408) 15.423 2.107 ( 5.065 -0.836 -2.646) 5.775 2.165 ( 1.668 -1.637 3.522) 4.227 2.228 ( 4.548 -0.604 3.476) 5.756 2.264 ( 1.493 -0.012 -0.762) 1.676 2.376 ( 0.197 -2.328 0.663) 2.429 2.437 ( 1.953 2.098 -1.577) 3.271 2.473 ( 0.242 -2.278 0.978) 2.491 2.554 ( -0.366 -2.096 1.251) 2.468 2.568 ( 5.225 -0.487 7.190) 8.902 2.607 ( 2.004 2.467 1.018) 3.337 2.632 ( 1.723 -1.768 -4.812) 5.409 2.758 ( 2.919 -0.815 -0.808) 3.137 2.831 ( 0.883 -3.654 -1.901) 4.213 2.889 ( -0.031 -1.524 1.334) 2.026 2.955 ( -1.640 -0.536 5.070) 5.356 3.116 ( -6.883 -1.293 -0.729) 7.041 3.128 ( -1.904 6.145 -0.196) 6.436 3.306 ( -0.081 -0.033 -0.158) 0.180 3.394 ( 0.717 -4.771 -0.980) 4.923 3.458 ( 3.647 0.947 1.432) 4.031 3.888 ( 9.660 -0.260 1.433) 9.769 3.946 ( 9.727 0.675 -0.416) 9.759 4.409 ( 0.571 -5.963 1.854) 6.270 4.708 ( 3.292 2.117 0.596) 3.959 5.434 ( -9.812 -1.545 -0.268) 9.936 5.707 ( -6.119 6.620 0.218) 9.018 6.065 ( -5.448 -6.680 -0.003) 8.620 6.116 ( 7.737 -2.931 2.219) 8.566 6.327 ( 7.139 2.713 0.109) 7.638 6.427 ( 4.577 1.141 -1.131) 4.851 7.888 ( -0.510 1.610 0.231) 1.704 8.173 ( 2.712 7.516 0.200) 7.993 8.249 ( -4.264 -10.146 -0.054) 11.006 8.583 ( 4.396 -5.168 -0.447) 6.800 8.714 ( -7.998 0.435 0.995) 8.071 8.820 ( -3.383 5.267 -0.401) 6.273 9.086 ( -4.144 -1.374 1.527) 4.625 9.225 ( 0.336 3.058 0.058) 3.077 9.339 ( -3.062 0.826 -0.649) 3.237 9.369 ( 3.741 1.651 0.223) 4.095 9.538 ( -2.161 -6.243 -0.362) 6.616 9.649 ( 4.916 1.292 3.402) 6.116 9.808 ( 2.417 -2.199 0.774) 3.358 9.865 ( -2.257 0.736 -2.372) 3.356 9.950 ( 0.065 1.985 0.344) 2.016 10.030 ( 5.068 0.394 -0.292) 5.092 10.097 ( 2.674 -2.343 -0.046) 3.555 10.219 ( 2.920 1.172 0.196) 3.152 ======================= Grid point 40 (39/75) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 22.823 0.000 -0.000) 22.823 1.023 ( 17.082 0.000 -0.000) 17.082 1.608 ( 30.149 0.000 -0.000) 30.149 1.763 ( -3.200 -0.000 0.000) 3.200 1.806 ( 0.825 0.000 -0.000) 0.825 1.991 ( 1.575 0.000 -0.000) 1.575 2.168 ( -3.756 -0.000 0.000) 3.756 2.193 ( -1.581 -0.000 0.000) 1.581 2.235 ( -6.692 -0.000 0.000) 6.692 2.360 ( -1.168 -0.000 0.000) 1.168 2.486 ( 0.848 0.000 -0.000) 0.848 2.522 ( 7.870 0.000 -0.000) 7.870 2.533 ( -9.191 -0.000 0.000) 9.191 2.565 ( -5.200 -0.000 0.000) 5.200 2.611 ( 5.427 0.000 -0.000) 5.427 2.697 ( -3.213 -0.000 0.000) 3.213 2.710 ( 3.739 0.000 -0.000) 3.739 2.760 ( -8.366 -0.000 0.000) 8.366 2.957 ( 0.717 0.000 -0.000) 0.717 2.988 ( 8.860 0.000 -0.000) 8.860 3.050 ( -5.408 -0.000 0.000) 5.408 3.193 ( -11.823 -0.000 0.000) 11.823 3.323 ( -0.038 -0.000 0.000) 0.038 3.334 ( 2.321 0.000 -0.000) 2.321 3.365 ( -7.461 -0.000 0.000) 7.461 3.597 ( -2.730 -0.000 0.000) 2.730 3.999 ( -0.872 -0.000 0.000) 0.872 4.132 ( -4.168 -0.000 0.000) 4.168 4.391 ( 5.244 0.000 -0.000) 5.244 4.889 ( -4.332 -0.000 0.000) 4.332 5.137 ( 14.263 0.000 -0.000) 14.263 5.794 ( 7.410 0.000 -0.000) 7.410 5.828 ( -0.590 -0.000 0.000) 0.590 6.426 ( -9.861 -0.000 0.000) 9.861 6.447 ( -3.093 -0.000 0.000) 3.093 6.494 ( -5.297 -0.000 0.000) 5.297 7.897 ( -0.479 -0.000 0.000) 0.479 8.108 ( 0.510 0.000 -0.000) 0.510 8.200 ( 5.820 0.000 -0.000) 5.820 8.590 ( 6.868 0.000 -0.000) 6.868 8.707 ( -9.341 -0.000 0.000) 9.341 8.744 ( 0.087 0.000 -0.000) 0.087 9.098 ( 1.773 0.000 -0.000) 1.773 9.255 ( 3.953 0.000 -0.000) 3.953 9.270 ( 2.398 0.000 -0.000) 2.398 9.354 ( 6.467 0.000 -0.000) 6.467 9.391 ( 3.567 0.000 -0.000) 3.567 9.836 ( -6.450 -0.000 0.000) 6.450 9.845 ( 0.534 0.000 -0.000) 0.534 9.932 ( 4.215 0.000 -0.000) 4.215 9.995 ( -4.305 -0.000 0.000) 4.305 10.023 ( -1.054 -0.000 0.000) 1.054 10.108 ( 0.982 0.000 -0.000) 0.982 10.317 ( -3.550 -0.000 0.000) 3.550 ======================= Grid point 42 (40/75) ======================= q-point: ( 0.28 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 8.567 6.505 -0.468) 10.767 1.559 ( 7.542 3.790 -0.821) 8.480 1.662 ( 0.286 -3.904 2.404) 4.594 1.721 ( 6.953 -5.943 2.684) 9.532 1.843 ( 6.604 5.238 -4.581) 9.594 1.993 ( 1.219 -6.914 1.241) 7.129 2.139 ( -4.583 2.525 0.618) 5.268 2.191 ( -5.119 -2.523 -3.833) 6.875 2.286 ( -1.446 0.001 2.371) 2.777 2.312 ( -1.293 -3.034 -3.292) 4.660 2.346 ( -3.479 3.166 -1.967) 5.099 2.398 ( -0.940 -1.593 0.986) 2.096 2.496 ( -0.931 1.787 3.087) 3.687 2.550 ( -2.194 -3.012 -1.359) 3.967 2.569 ( 1.243 5.558 3.346) 6.605 2.634 ( 4.055 1.286 -0.587) 4.294 2.703 ( -5.223 0.368 2.624) 5.856 2.758 ( -7.172 -4.252 -7.552) 11.249 2.870 ( 4.187 2.751 4.249) 6.570 2.922 ( 0.472 -1.302 -5.909) 6.069 3.019 ( 5.173 -0.310 1.530) 5.403 3.050 ( 2.523 -2.738 -1.333) 3.955 3.168 ( -1.091 4.599 -2.272) 5.245 3.249 ( -1.327 -3.733 2.204) 4.534 3.442 ( -1.484 2.945 2.127) 3.924 3.480 ( -2.096 -1.093 -2.369) 3.346 3.919 ( -9.028 -0.012 -1.117) 9.097 3.923 ( -8.466 -0.471 0.447) 8.491 4.557 ( -1.933 5.964 -0.982) 6.346 4.658 ( -4.191 -4.522 -0.392) 6.178 5.483 ( 9.144 4.089 -0.023) 10.017 5.581 ( 7.434 -6.298 0.198) 9.745 6.185 ( -5.014 5.110 -0.220) 7.163 6.238 ( -1.288 4.284 -2.268) 5.015 6.268 ( -6.998 -2.639 -0.127) 7.480 6.344 ( 0.397 -4.620 1.964) 5.036 7.915 ( -3.568 3.837 -0.375) 5.253 8.026 ( -5.061 -7.582 0.109) 9.116 8.454 ( 6.489 11.245 0.085) 12.983 8.624 ( 9.922 -3.278 0.694) 10.473 8.703 ( -3.824 -2.596 0.305) 4.632 8.720 ( 3.991 -1.459 -1.070) 4.382 9.144 ( 3.502 1.467 -1.297) 4.013 9.175 ( 2.270 -2.045 0.387) 3.080 9.320 ( -0.680 0.571 1.201) 1.493 9.342 ( -2.730 -1.665 -0.768) 3.289 9.616 ( 1.162 3.880 2.123) 4.573 9.676 ( -0.208 -2.721 -3.483) 4.425 9.824 ( 0.682 1.104 1.257) 1.806 9.844 ( -1.408 -0.546 -0.215) 1.525 9.962 ( -2.925 1.102 -2.311) 3.888 9.994 ( -5.749 -1.940 1.383) 6.224 10.143 ( -1.547 2.682 0.215) 3.104 10.190 ( -2.564 -2.258 -0.217) 3.423 ======================= Grid point 43 (41/75) ======================= q-point: ( 0.48 -0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -4.428 2.294 -5.994) 7.797 1.309 ( -5.353 15.619 -0.675) 16.524 1.354 ( -5.697 9.145 -2.927) 11.165 1.464 ( -6.217 -9.650 -12.701) 17.120 1.817 ( 0.210 -1.470 12.107) 12.198 2.023 ( 4.732 -3.488 8.242) 10.124 2.163 ( 1.695 5.783 2.590) 6.559 2.262 ( -3.859 3.313 -1.209) 5.228 2.331 ( -0.101 -1.270 -1.293) 1.815 2.343 ( -4.666 -7.481 -2.183) 9.083 2.411 ( 0.246 0.644 0.621) 0.927 2.433 ( -1.143 0.110 -2.141) 2.429 2.489 ( 0.391 -4.685 1.811) 5.039 2.570 ( 5.506 1.776 -1.639) 6.013 2.581 ( -0.595 1.559 -5.115) 5.380 2.681 ( 2.924 2.229 -1.793) 4.090 2.715 ( -0.688 -2.102 -0.229) 2.224 2.797 ( -0.715 -0.363 1.281) 1.512 2.859 ( -2.469 -7.026 4.472) 8.686 2.944 ( -3.183 1.777 0.308) 3.659 3.145 ( 10.610 6.485 2.703) 12.725 3.183 ( 12.717 -2.093 -2.099) 13.058 3.433 ( 6.052 1.136 0.929) 6.227 3.499 ( 0.354 -1.139 -2.406) 2.685 3.507 ( 1.567 4.437 1.151) 4.844 3.563 ( 5.408 1.601 -2.169) 6.043 4.026 ( -1.015 1.914 2.931) 3.645 4.144 ( 1.654 0.600 -2.829) 3.331 4.719 ( 4.618 -10.909 -1.593) 11.953 4.815 ( 5.883 6.439 1.046) 8.785 5.061 ( -10.420 -7.170 -0.755) 12.671 5.197 ( -9.724 11.009 1.099) 14.730 6.063 ( -1.456 -11.363 2.910) 11.819 6.378 ( 0.176 9.016 -2.302) 9.307 6.540 ( 6.304 -1.066 0.626) 6.424 6.570 ( 4.672 0.214 -0.235) 4.683 8.043 ( -3.409 -0.174 0.509) 3.451 8.075 ( 0.089 0.228 -0.483) 0.541 8.215 ( 0.574 -11.312 1.227) 11.392 8.540 ( 3.885 14.539 -1.778) 15.154 8.652 ( -1.138 -7.877 0.319) 7.965 8.811 ( -0.760 7.829 -0.190) 7.868 9.093 ( 0.815 -1.187 0.059) 1.442 9.101 ( -0.352 0.281 0.356) 0.574 9.269 ( -2.284 -0.838 0.031) 2.433 9.346 ( -1.599 3.398 -1.589) 4.077 9.657 ( -0.008 -8.562 -1.050) 8.626 9.713 ( 3.422 3.952 1.256) 5.377 9.803 ( 0.544 4.092 0.891) 4.223 9.861 ( -2.547 1.385 -2.283) 3.690 10.002 ( -2.140 -1.666 1.176) 2.956 10.067 ( 2.478 0.824 -0.552) 2.669 10.227 ( 2.186 -4.515 -0.520) 5.043 10.296 ( 1.826 3.509 0.150) 3.959 ======================= Grid point 44 (42/75) ======================= q-point: (-0.32 0.32 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -4.217 -3.102 0.000) 5.235 1.703 ( 3.901 1.530 -0.000) 4.190 1.747 ( 3.421 3.127 -0.000) 4.635 1.915 ( 17.224 -2.265 -0.000) 17.373 1.946 ( -2.935 4.581 0.000) 5.441 2.041 ( -0.484 0.477 0.000) 0.679 2.084 ( -0.373 0.233 0.000) 0.440 2.134 ( -4.665 -2.131 0.000) 5.129 2.173 ( -0.377 -5.198 -0.000) 5.212 2.256 ( -3.610 1.510 0.000) 3.914 2.324 ( -10.103 0.739 0.000) 10.130 2.405 ( -0.602 1.447 0.000) 1.567 2.407 ( -3.369 0.680 0.000) 3.437 2.527 ( 1.000 2.870 0.000) 3.040 2.537 ( -3.764 0.354 0.000) 3.781 2.606 ( -2.144 -5.862 -0.000) 6.242 2.793 ( 0.359 6.832 0.000) 6.842 2.876 ( 2.518 -3.726 -0.000) 4.497 2.902 ( -5.250 -1.523 0.000) 5.467 2.950 ( -10.742 3.606 0.000) 11.331 3.043 ( 7.534 -0.385 -0.000) 7.544 3.194 ( 1.848 -1.961 -0.000) 2.695 3.251 ( 9.129 1.914 -0.000) 9.327 3.252 ( 5.905 5.222 -0.000) 7.883 3.435 ( -3.526 -0.325 0.000) 3.541 3.447 ( 4.475 -2.477 -0.000) 5.115 3.717 ( -12.879 -0.016 0.000) 12.879 3.742 ( -11.052 -0.070 0.000) 11.052 4.563 ( -8.507 0.447 0.000) 8.519 4.587 ( 3.127 -0.174 -0.000) 3.132 5.619 ( 8.445 -1.918 -0.000) 8.660 5.737 ( -2.146 2.981 0.000) 3.673 6.073 ( 1.194 0.695 -0.000) 1.381 6.165 ( -7.917 3.680 0.000) 8.730 6.225 ( 3.634 -5.426 -0.000) 6.530 6.298 ( -4.076 -2.172 0.000) 4.618 7.954 ( 4.512 6.337 0.000) 7.779 8.069 ( -6.552 9.460 0.000) 11.508 8.347 ( 5.298 -11.218 -0.000) 12.406 8.454 ( -5.486 -9.779 -0.000) 11.213 8.943 ( 7.889 3.124 -0.000) 8.485 8.966 ( 7.749 6.239 -0.000) 9.948 9.151 ( -4.056 -0.947 0.000) 4.165 9.212 ( -4.686 2.255 0.000) 5.201 9.327 ( -0.122 3.616 0.000) 3.618 9.343 ( 4.412 -2.295 -0.000) 4.973 9.506 ( -2.738 -4.600 -0.000) 5.353 9.740 ( -7.864 -0.452 0.000) 7.877 9.770 ( 4.001 -0.180 -0.000) 4.005 9.823 ( 1.043 0.347 -0.000) 1.099 9.858 ( -5.056 0.603 0.000) 5.092 10.052 ( 3.323 0.946 -0.000) 3.455 10.107 ( -2.178 -0.360 0.000) 2.208 10.129 ( -5.298 0.862 0.000) 5.367 ======================= Grid point 45 (43/75) ======================= q-point: (-0.13 -0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 0.000 0.000 -22.259) 22.259 0.428 ( 0.000 0.000 -23.398) 23.398 0.587 ( 0.000 0.000 -32.382) 32.382 1.884 ( -0.000 -0.000 2.869) 2.869 1.953 ( -0.000 -0.000 0.892) 0.892 2.005 ( -0.000 -0.000 12.304) 12.304 2.042 ( 0.000 0.000 -3.809) 3.809 2.274 ( -0.000 -0.000 7.433) 7.433 2.278 ( 0.000 0.000 -5.488) 5.488 2.342 ( -0.000 -0.000 6.837) 6.837 2.427 ( -0.000 -0.000 0.912) 0.912 2.493 ( 0.000 0.000 -12.684) 12.684 2.517 ( -0.000 -0.000 5.462) 5.462 2.575 ( 0.000 0.000 -6.416) 6.416 2.613 ( 0.000 0.000 -2.474) 2.474 2.729 ( -0.000 -0.000 3.086) 3.086 2.752 ( -0.000 -0.000 2.968) 2.968 2.761 ( -0.000 -0.000 2.685) 2.685 2.859 ( 0.000 0.000 -11.145) 11.145 3.040 ( 0.000 0.000 -1.613) 1.613 3.163 ( -0.000 -0.000 8.166) 8.166 3.230 ( 0.000 0.000 -1.634) 1.634 3.440 ( 0.000 0.000 -1.179) 1.179 3.620 ( 0.000 0.000 -2.510) 2.510 3.620 ( -0.000 -0.000 2.619) 2.619 3.659 ( 0.000 0.000 -3.981) 3.981 4.078 ( -0.000 -0.000 0.650) 0.650 4.086 ( 0.000 0.000 -4.480) 4.480 4.253 ( 0.000 0.000 -2.143) 2.143 4.685 ( 0.000 0.000 -2.072) 2.072 4.991 ( 0.000 0.000 -0.743) 0.743 5.571 ( -0.000 -0.000 2.082) 2.082 5.820 ( -0.000 -0.000 2.940) 2.940 6.511 ( 0.000 0.000 -0.311) 0.311 6.630 ( 0.000 0.000 -0.879) 0.879 6.671 ( -0.000 -0.000 1.624) 1.624 7.956 ( -0.000 -0.000 0.067) 0.067 8.008 ( -0.000 -0.000 0.475) 0.475 8.112 ( 0.000 0.000 -1.249) 1.249 8.440 ( -0.000 -0.000 0.449) 0.449 8.878 ( 0.000 0.000 -5.365) 5.365 8.949 ( 0.000 0.000 -0.113) 0.113 9.069 ( 0.000 0.000 -0.109) 0.109 9.073 ( 0.000 0.000 -0.030) 0.030 9.127 ( 0.000 0.000 -5.551) 5.551 9.207 ( 0.000 0.000 -0.938) 0.938 9.254 ( -0.000 -0.000 0.056) 0.056 9.829 ( 0.000 0.000 -0.614) 0.614 9.856 ( 0.000 0.000 -0.451) 0.451 9.952 ( -0.000 -0.000 1.034) 1.034 9.963 ( -0.000 -0.000 0.507) 0.507 10.061 ( 0.000 0.000 -0.808) 0.808 10.158 ( 0.000 0.000 -0.376) 0.376 10.399 ( -0.000 -0.000 0.521) 0.521 ======================= Grid point 48 (44/75) ======================= q-point: ( 0.47 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 11.233 -15.577 -0.000) 19.205 1.539 ( -6.601 -1.672 0.000) 6.809 1.645 ( -8.042 8.709 0.000) 11.855 1.692 ( -2.552 2.949 0.000) 3.900 1.847 ( -14.868 10.155 0.000) 18.005 2.010 ( -5.370 -2.482 0.000) 5.916 2.013 ( -0.440 0.391 0.000) 0.588 2.252 ( 5.891 -5.972 -0.000) 8.389 2.269 ( 2.143 -0.187 -0.000) 2.152 2.279 ( 5.628 -3.928 -0.000) 6.863 2.371 ( -0.735 0.294 0.000) 0.791 2.412 ( 4.139 0.074 -0.000) 4.139 2.487 ( 4.565 1.942 -0.000) 4.961 2.535 ( 2.049 -3.721 -0.000) 4.248 2.580 ( 3.838 -1.696 -0.000) 4.196 2.685 ( 3.173 1.292 -0.000) 3.426 2.703 ( -0.979 -9.752 -0.000) 9.801 2.711 ( 0.626 6.850 0.000) 6.879 2.765 ( -7.279 4.371 0.000) 8.491 2.983 ( -4.066 -4.645 -0.000) 6.173 3.027 ( 8.827 -6.727 -0.000) 11.098 3.034 ( -4.891 1.948 0.000) 5.265 3.146 ( -7.759 -1.251 0.000) 7.859 3.295 ( 1.560 2.173 0.000) 2.675 3.405 ( 1.955 2.221 0.000) 2.959 3.486 ( 3.077 -3.323 -0.000) 4.529 3.886 ( 7.436 -0.740 -0.000) 7.472 3.948 ( 10.177 -0.497 -0.000) 10.189 4.536 ( 4.057 -8.039 -0.000) 9.005 4.649 ( 1.713 3.408 0.000) 3.815 5.482 ( -8.439 -3.567 0.000) 9.162 5.583 ( -8.580 6.175 0.000) 10.571 6.174 ( 8.224 -4.651 -0.000) 9.448 6.189 ( -4.383 -6.564 -0.000) 7.893 6.269 ( 8.219 3.379 -0.000) 8.887 6.389 ( 0.853 4.154 0.000) 4.241 7.906 ( 3.407 -3.979 -0.000) 5.238 8.028 ( 4.943 7.146 0.000) 8.689 8.455 ( -6.944 -10.939 -0.000) 12.957 8.637 ( -9.246 5.087 0.000) 10.554 8.692 ( -3.701 0.905 0.000) 3.810 8.713 ( 4.104 1.055 -0.000) 4.237 9.110 ( -3.305 -2.549 0.000) 4.173 9.182 ( -2.020 1.300 0.000) 2.402 9.324 ( 3.728 2.444 -0.000) 4.458 9.347 ( -0.882 -0.546 0.000) 1.037 9.597 ( 1.202 1.333 -0.000) 1.795 9.659 ( -0.985 -5.709 -0.000) 5.793 9.842 ( 3.391 -0.746 -0.000) 3.472 9.868 ( -2.900 0.904 0.000) 3.037 9.911 ( 2.928 0.205 -0.000) 2.935 10.030 ( 3.873 0.165 -0.000) 3.877 10.148 ( 3.459 -2.739 -0.000) 4.412 10.186 ( 1.860 2.209 0.000) 2.888 ======================= Grid point 50 (45/75) ======================= q-point: (-0.14 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -11.678 -0.000 -8.847) 14.651 1.275 ( -12.914 -0.000 -12.012) 17.637 1.610 ( 4.705 -0.000 6.776) 8.249 1.870 ( -9.443 -0.000 -4.336) 10.391 1.912 ( -13.459 -0.000 -4.856) 14.308 2.012 ( 3.006 0.000 2.623) 3.989 2.090 ( -1.712 -0.000 0.804) 1.892 2.159 ( -0.647 0.000 -1.030) 1.216 2.270 ( -0.692 -0.000 -0.381) 0.789 2.324 ( 2.154 -0.000 5.246) 5.671 2.342 ( 0.638 -0.000 3.394) 3.453 2.415 ( -0.627 -0.000 0.553) 0.836 2.436 ( 5.552 0.000 3.281) 6.449 2.521 ( 3.670 0.000 1.081) 3.826 2.607 ( 0.441 0.000 -0.216) 0.491 2.682 ( 0.047 -0.000 0.787) 0.788 2.751 ( 0.473 0.000 -1.669) 1.735 2.864 ( 5.202 0.000 -0.960) 5.289 2.892 ( -1.009 -0.000 3.267) 3.419 3.021 ( 2.869 -0.000 4.606) 5.426 3.067 ( 3.881 0.000 -0.690) 3.942 3.146 ( 12.015 0.000 1.654) 12.129 3.240 ( -1.188 -0.000 -0.586) 1.324 3.279 ( 0.623 -0.000 2.207) 2.293 3.384 ( 8.958 0.000 -0.596) 8.978 3.577 ( 4.354 0.000 0.651) 4.403 4.065 ( 3.526 0.000 -2.714) 4.449 4.087 ( 4.627 0.000 2.105) 5.083 4.365 ( -1.661 -0.000 0.866) 1.873 4.839 ( 4.183 0.000 2.140) 4.699 5.168 ( -12.743 -0.000 -1.202) 12.800 5.763 ( -1.356 -0.000 3.209) 3.484 5.799 ( -8.663 -0.000 -0.244) 8.666 6.350 ( 10.532 0.000 3.094) 10.977 6.452 ( 3.480 0.000 -0.142) 3.483 6.538 ( 5.164 0.000 -1.926) 5.512 7.892 ( 0.286 0.000 0.262) 0.388 8.113 ( 0.221 0.000 -0.239) 0.326 8.184 ( -6.010 -0.000 0.697) 6.050 8.572 ( -6.503 -0.000 0.812) 6.554 8.721 ( 9.279 0.000 -0.615) 9.299 8.820 ( 2.331 0.000 -3.129) 3.901 9.065 ( -0.311 -0.000 1.434) 1.467 9.263 ( -4.181 -0.000 -0.436) 4.204 9.280 ( -1.596 -0.000 -0.454) 1.660 9.374 ( -3.725 -0.000 0.256) 3.734 9.398 ( -2.579 -0.000 -1.294) 2.886 9.811 ( 0.665 -0.000 1.359) 1.513 9.854 ( 3.702 0.000 -1.087) 3.858 9.903 ( 4.716 0.000 4.754) 6.696 10.006 ( -3.399 -0.000 -3.195) 4.665 10.011 ( 4.342 0.000 -0.718) 4.401 10.090 ( -1.992 -0.000 1.045) 2.250 10.307 ( 3.505 0.000 0.427) 3.531 ======================= Grid point 52 (46/75) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -11.835 16.358 0.000) 20.190 0.984 ( -9.188 19.126 0.000) 21.218 1.570 ( 0.525 1.309 0.000) 1.410 1.630 ( -12.397 23.258 0.000) 26.355 1.650 ( 0.246 -6.852 -0.000) 6.856 1.843 ( -6.937 -13.362 -0.000) 15.056 2.031 ( 5.304 -6.543 -0.000) 8.423 2.354 ( 1.099 2.333 0.000) 2.579 2.363 ( 5.045 -0.545 -0.000) 5.074 2.412 ( -0.804 -0.728 0.000) 1.085 2.413 ( -0.076 0.934 0.000) 0.937 2.463 ( 0.942 -0.985 -0.000) 1.363 2.500 ( -4.121 -2.692 0.000) 4.922 2.563 ( 4.853 2.378 -0.000) 5.404 2.662 ( 0.735 1.018 0.000) 1.255 2.724 ( -1.017 -1.413 -0.000) 1.741 2.755 ( -4.166 -3.216 0.000) 5.263 2.863 ( -2.530 3.905 0.000) 4.653 2.864 ( 3.969 -1.274 -0.000) 4.168 2.970 ( 3.320 -5.698 -0.000) 6.595 3.017 ( -0.708 -2.483 -0.000) 2.582 3.255 ( 12.138 -3.280 -0.000) 12.573 3.302 ( -1.431 8.374 0.000) 8.496 3.454 ( 5.045 -0.953 -0.000) 5.134 3.515 ( 8.582 1.441 -0.000) 8.702 3.599 ( -1.350 -1.370 0.000) 1.924 3.960 ( -1.623 1.157 0.000) 1.993 4.158 ( -0.167 0.527 0.000) 0.552 4.636 ( 3.755 10.995 0.000) 11.618 4.885 ( 4.143 -5.100 -0.000) 6.571 5.005 ( -11.585 8.336 0.000) 14.272 5.251 ( -7.704 -12.009 -0.000) 14.268 6.211 ( 0.085 10.932 0.000) 10.933 6.246 ( -0.242 -10.797 -0.000) 10.800 6.559 ( 4.777 -1.216 -0.000) 4.930 6.585 ( 5.741 -0.976 -0.000) 5.823 8.046 ( -1.090 -0.539 0.000) 1.216 8.071 ( -3.194 0.234 0.000) 3.203 8.278 ( 1.388 14.081 0.000) 14.149 8.431 ( 2.937 -12.680 -0.000) 13.016 8.664 ( -1.165 7.760 0.000) 7.847 8.796 ( -1.055 -7.409 -0.000) 7.484 9.085 ( -1.368 0.771 0.000) 1.571 9.110 ( 1.138 -0.374 -0.000) 1.198 9.255 ( -4.209 2.026 0.000) 4.671 9.278 ( -1.914 4.223 0.000) 4.637 9.594 ( 1.418 7.378 0.000) 7.513 9.746 ( -0.537 -0.343 0.000) 0.637 9.793 ( -0.883 -4.196 -0.000) 4.287 9.886 ( 0.929 -1.573 -0.000) 1.827 10.031 ( 1.267 -2.451 -0.000) 2.759 10.056 ( -1.392 1.123 0.000) 1.789 10.214 ( 1.333 5.034 0.000) 5.208 10.309 ( 2.509 -3.699 -0.000) 4.470 ======================= Grid point 54 (47/75) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.000 -4.236 -19.232) 19.693 0.915 ( 0.000 -8.544 -18.984) 20.818 1.390 ( 0.000 -20.820 -22.360) 30.552 1.596 ( -0.000 16.406 0.703) 16.421 1.658 ( -0.000 12.144 10.243) 15.887 2.084 ( 0.000 -0.808 -3.422) 3.516 2.156 ( -0.000 -9.447 1.873) 9.630 2.168 ( -0.000 -1.372 9.586) 9.684 2.286 ( -0.000 -7.274 6.879) 10.011 2.373 ( 0.000 -0.619 -1.980) 2.074 2.417 ( 0.000 0.356 -0.053) 0.360 2.461 ( -0.000 -4.446 3.414) 5.606 2.575 ( 0.000 6.933 -8.460) 10.938 2.618 ( 0.000 2.395 -1.373) 2.760 2.630 ( -0.000 7.496 3.500) 8.273 2.697 ( -0.000 -0.317 1.889) 1.916 2.719 ( 0.000 -0.528 -0.016) 0.528 2.739 ( 0.000 0.129 -4.753) 4.755 2.944 ( -0.000 6.623 4.564) 8.043 2.967 ( -0.000 1.689 6.704) 6.913 3.127 ( 0.000 -5.635 -9.841) 11.340 3.313 ( 0.000 -4.162 -4.036) 5.797 3.441 ( -0.000 2.639 0.638) 2.715 3.552 ( -0.000 0.634 2.779) 2.851 3.622 ( 0.000 3.931 -0.753) 4.002 3.679 ( 0.000 5.473 -4.528) 7.103 4.067 ( -0.000 -0.449 1.964) 2.014 4.116 ( 0.000 3.277 -6.205) 7.017 4.485 ( 0.000 -14.207 -2.859) 14.492 4.773 ( 0.000 -3.865 -2.332) 4.514 4.992 ( 0.000 1.608 -0.710) 1.758 5.356 ( -0.000 13.080 3.243) 13.476 5.902 ( -0.000 -11.509 4.606) 12.396 6.475 ( 0.000 5.258 -1.825) 5.566 6.627 ( 0.000 1.471 -0.513) 1.558 6.633 ( -0.000 0.406 1.627) 1.677 8.000 ( -0.000 -0.427 0.705) 0.824 8.046 ( -0.000 -9.115 0.572) 9.133 8.101 ( 0.000 3.117 -1.199) 3.339 8.501 ( -0.000 -6.581 0.413) 6.594 8.821 ( 0.000 13.733 -4.750) 14.531 8.898 ( 0.000 4.828 -0.383) 4.843 9.077 ( 0.000 -0.741 -0.374) 0.831 9.104 ( -0.000 -2.003 0.579) 2.085 9.226 ( 0.000 -0.066 -1.182) 1.184 9.268 ( 0.000 -1.010 -6.502) 6.580 9.428 ( 0.000 -12.043 -1.106) 12.094 9.821 ( 0.000 3.027 -1.243) 3.272 9.822 ( 0.000 2.314 -0.469) 2.361 9.919 ( -0.000 3.387 1.092) 3.559 9.950 ( -0.000 -2.119 1.500) 2.596 10.141 ( 0.000 -5.112 -1.047) 5.218 10.142 ( 0.000 2.478 -0.545) 2.537 10.372 ( -0.000 1.659 0.635) 1.777 ======================= Grid point 55 (48/75) ======================= q-point: (-0.15 -0.60 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -8.974 -0.000 12.329) 15.249 1.630 ( 1.107 0.000 -7.078) 7.164 1.780 ( -17.479 -0.000 -1.294) 17.527 1.981 ( -3.333 -0.000 3.420) 4.776 2.028 ( 4.861 0.000 2.253) 5.358 2.034 ( -0.020 0.000 -0.551) 0.551 2.086 ( 0.133 -0.000 2.506) 2.510 2.133 ( 2.877 0.000 3.072) 4.209 2.195 ( -2.429 -0.000 -0.209) 2.438 2.231 ( 11.200 0.000 0.018) 11.200 2.345 ( 1.297 0.000 -2.588) 2.895 2.393 ( 3.665 0.000 -1.667) 4.027 2.430 ( 1.292 -0.000 6.441) 6.569 2.492 ( 3.802 0.000 3.810) 5.382 2.554 ( -0.643 -0.000 6.436) 6.468 2.633 ( -1.665 -0.000 2.558) 3.052 2.660 ( -10.935 -0.000 -8.697) 13.972 2.700 ( -1.699 0.000 -3.189) 3.613 2.783 ( -2.322 -0.000 -2.279) 3.253 2.850 ( 0.220 0.000 -2.584) 2.593 3.056 ( -4.989 -0.000 4.631) 6.807 3.199 ( 1.097 0.000 0.061) 1.098 3.340 ( -6.506 -0.000 -1.368) 6.649 3.354 ( -1.732 -0.000 -0.136) 1.738 3.435 ( -7.205 -0.000 -0.862) 7.257 3.451 ( -10.766 -0.000 -0.520) 10.778 3.635 ( 13.182 0.000 1.022) 13.222 3.674 ( 16.202 0.000 1.360) 16.259 4.418 ( -5.803 -0.000 2.974) 6.521 4.648 ( 4.243 0.000 -1.619) 4.542 5.617 ( -8.569 -0.000 -0.311) 8.574 5.769 ( 6.501 0.000 0.043) 6.501 6.065 ( -5.884 -0.000 1.544) 6.083 6.128 ( -6.310 -0.000 -0.601) 6.338 6.236 ( 6.049 0.000 0.542) 6.073 6.259 ( 7.903 0.000 -0.627) 7.928 8.053 ( -8.073 -0.000 0.265) 8.077 8.194 ( -3.682 -0.000 -0.098) 3.684 8.249 ( 2.202 0.000 0.325) 2.226 8.277 ( 11.195 0.000 -0.412) 11.202 8.932 ( -10.807 -0.000 0.854) 10.841 9.040 ( -10.209 -0.000 -0.027) 10.210 9.149 ( 7.294 0.000 -0.203) 7.297 9.232 ( -10.048 -0.000 1.433) 10.150 9.253 ( 8.995 0.000 -0.076) 8.995 9.441 ( 4.100 0.000 -0.242) 4.107 9.515 ( -8.140 -0.000 -2.080) 8.401 9.517 ( 5.418 0.000 3.943) 6.701 9.797 ( -1.461 -0.000 0.221) 1.477 9.899 ( 6.045 0.000 -0.777) 6.095 9.952 ( 7.786 0.000 2.563) 8.197 9.960 ( -5.736 -0.000 -3.719) 6.836 10.032 ( -4.637 -0.000 0.526) 4.667 10.152 ( 4.413 0.000 -0.189) 4.417 ======================= Grid point 59 (49/75) ======================= q-point: (-0.36 -0.39 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -3.811 -2.413 -9.312) 10.347 1.452 ( -0.079 -0.795 -5.526) 5.584 1.599 ( -3.552 -4.742 -1.818) 6.197 1.784 ( -8.566 13.363 -2.664) 16.094 1.838 ( 0.935 4.545 5.821) 7.444 1.851 ( -1.913 1.522 9.734) 10.036 2.122 ( -2.499 -0.567 7.679) 8.095 2.221 ( 2.752 -2.844 -3.310) 5.160 2.295 ( -1.084 -7.487 -1.107) 7.646 2.342 ( 2.013 -1.180 -1.969) 3.054 2.393 ( 2.959 0.817 -0.332) 3.087 2.413 ( -0.701 -3.170 -1.637) 3.636 2.465 ( -4.610 -4.558 -5.503) 8.504 2.502 ( 2.667 1.479 -0.436) 3.080 2.624 ( 0.950 -3.793 -1.319) 4.126 2.648 ( 2.038 2.074 0.384) 2.933 2.755 ( 4.844 5.674 3.998) 8.464 2.800 ( 2.329 -0.320 5.587) 6.061 2.835 ( -1.481 3.095 2.067) 4.006 2.886 ( 1.192 -4.538 3.515) 5.862 3.012 ( 9.627 5.116 1.326) 10.983 3.102 ( -0.030 6.064 -1.928) 6.363 3.211 ( 10.415 -2.943 1.026) 10.871 3.390 ( 8.541 0.474 -0.869) 8.598 3.415 ( 0.742 -7.389 -1.517) 7.579 3.543 ( 4.109 2.571 0.635) 4.889 4.037 ( 4.088 1.058 1.922) 4.640 4.090 ( 4.691 1.157 -1.855) 5.175 4.448 ( 2.514 -8.615 -0.058) 8.974 4.783 ( 4.345 2.333 1.562) 5.174 5.209 ( -11.586 -2.527 -0.677) 11.877 5.568 ( -6.891 9.289 1.108) 11.619 5.940 ( -5.566 -9.183 1.480) 10.840 6.323 ( 10.527 -2.031 1.577) 10.836 6.446 ( 3.822 0.843 -0.401) 3.934 6.518 ( 4.421 5.130 -1.238) 6.885 7.919 ( 3.109 -3.393 0.349) 4.615 8.151 ( -4.363 2.210 0.433) 4.910 8.170 ( -3.052 -5.234 -0.128) 6.060 8.586 ( -4.385 -2.953 0.544) 5.315 8.659 ( 4.662 6.806 -1.103) 8.322 8.864 ( 5.225 1.651 -0.974) 5.566 9.054 ( 0.458 -1.218 0.921) 1.594 9.175 ( -3.776 4.757 0.124) 6.075 9.298 ( -2.008 -0.850 -0.387) 2.215 9.408 ( 0.160 1.136 -0.775) 1.384 9.493 ( -1.584 -8.435 -0.406) 8.592 9.713 ( 2.365 4.449 1.863) 5.372 9.853 ( 0.948 2.152 -0.835) 2.496 9.913 ( 4.877 -5.119 1.868) 7.313 9.964 ( 1.548 4.015 -1.516) 4.562 10.060 ( -2.182 0.104 0.968) 2.390 10.121 ( 0.576 -3.299 -1.484) 3.663 10.286 ( 3.398 1.571 0.193) 3.749 ======================= Grid point 60 (50/75) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 7.004 0.000 -0.000) 7.004 1.417 ( 21.323 0.000 -0.000) 21.323 1.694 ( -1.724 -0.000 0.000) 1.724 1.753 ( 2.382 0.000 -0.000) 2.382 2.038 ( 2.231 0.000 -0.000) 2.231 2.087 ( -1.613 -0.000 0.000) 1.613 2.121 ( -3.458 -0.000 0.000) 3.458 2.135 ( -3.194 -0.000 0.000) 3.194 2.202 ( 0.791 0.000 -0.000) 0.791 2.331 ( -1.916 -0.000 0.000) 1.916 2.348 ( 5.432 0.000 -0.000) 5.432 2.488 ( -0.858 -0.000 0.000) 0.858 2.600 ( -4.686 -0.000 0.000) 4.686 2.608 ( 0.325 0.000 -0.000) 0.325 2.617 ( -1.850 -0.000 0.000) 1.850 2.657 ( 10.117 0.000 -0.000) 10.117 2.665 ( -13.607 -0.000 0.000) 13.607 2.731 ( 4.529 0.000 -0.000) 4.529 2.844 ( -0.546 -0.000 0.000) 0.546 2.951 ( -3.363 -0.000 0.000) 3.363 3.104 ( 0.967 0.000 -0.000) 0.967 3.138 ( 2.118 0.000 -0.000) 2.118 3.271 ( -0.270 -0.000 0.000) 0.270 3.294 ( -3.076 -0.000 0.000) 3.076 3.349 ( -0.423 -0.000 0.000) 0.423 3.521 ( -4.298 -0.000 0.000) 4.298 3.936 ( -5.885 -0.000 0.000) 5.885 3.972 ( -10.572 -0.000 0.000) 10.572 4.495 ( 4.623 0.000 -0.000) 4.623 4.761 ( -8.008 -0.000 0.000) 8.008 5.400 ( 10.785 0.000 -0.000) 10.785 5.818 ( -0.612 -0.000 0.000) 0.612 5.949 ( 7.268 0.000 -0.000) 7.268 6.231 ( -7.797 -0.000 0.000) 7.797 6.366 ( -4.594 -0.000 0.000) 4.594 6.370 ( -6.516 -0.000 0.000) 6.516 7.931 ( 4.026 0.000 -0.000) 4.026 8.134 ( 2.026 0.000 -0.000) 2.026 8.284 ( 1.514 0.000 -0.000) 1.514 8.490 ( -11.148 -0.000 0.000) 11.148 8.764 ( 9.518 0.000 -0.000) 9.518 8.822 ( 7.590 0.000 -0.000) 7.590 9.166 ( 5.100 0.000 -0.000) 5.100 9.262 ( -3.221 -0.000 0.000) 3.221 9.329 ( 3.251 0.000 -0.000) 3.251 9.384 ( -3.308 -0.000 0.000) 3.308 9.462 ( 2.114 0.000 -0.000) 2.114 9.740 ( -2.079 -0.000 0.000) 2.079 9.831 ( -1.534 -0.000 0.000) 1.534 9.903 ( -6.035 -0.000 0.000) 6.035 9.979 ( 2.649 0.000 -0.000) 2.649 10.027 ( -7.778 -0.000 0.000) 7.778 10.087 ( 4.302 0.000 -0.000) 4.302 10.243 ( -4.022 -0.000 0.000) 4.022 ======================= Grid point 62 (51/75) ======================= q-point: ( 0.23 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.235 2.682 -2.669) 3.791 1.551 ( -3.277 -0.459 1.310) 3.559 1.849 ( 11.939 3.390 -6.929) 14.214 1.926 ( 5.895 -4.110 10.775) 12.952 1.995 ( 6.778 2.751 -4.063) 8.367 2.055 ( 2.224 -0.005 4.159) 4.716 2.081 ( 0.811 -1.704 2.716) 3.307 2.117 ( -2.190 -1.997 -4.995) 5.808 2.220 ( -4.523 1.871 0.364) 4.908 2.247 ( -3.818 -0.578 -0.830) 3.950 2.315 ( 0.051 -0.071 -1.878) 1.880 2.347 ( -3.079 -1.168 0.700) 3.366 2.501 ( -1.888 0.306 2.173) 2.895 2.534 ( -0.235 -2.179 -3.714) 4.313 2.544 ( -1.700 0.826 3.597) 4.063 2.585 ( -4.944 -3.343 -3.226) 6.785 2.638 ( 1.509 2.726 6.115) 6.864 2.676 ( -1.031 -0.211 -7.915) 7.985 2.851 ( -2.068 1.190 -4.709) 5.279 2.870 ( -3.066 -0.199 5.223) 6.060 3.168 ( 3.165 2.455 -4.646) 6.134 3.216 ( -1.029 -1.423 4.388) 4.727 3.259 ( 12.343 0.787 -0.780) 12.392 3.292 ( 11.639 -2.649 1.741) 12.063 3.411 ( -1.900 1.864 1.608) 3.109 3.443 ( -1.313 -1.146 -1.855) 2.545 3.700 ( -10.144 0.610 0.016) 10.163 3.705 ( -10.785 -0.069 -1.017) 10.833 4.540 ( 0.429 2.227 -2.346) 3.263 4.578 ( -3.131 -1.785 1.688) 3.980 5.651 ( 6.392 2.237 -0.683) 6.807 5.700 ( 2.653 -2.907 1.035) 4.070 6.061 ( -3.112 1.565 -0.896) 3.596 6.105 ( -6.188 -2.957 0.365) 6.868 6.297 ( 2.744 3.932 -0.969) 4.891 6.339 ( -1.100 -0.332 0.991) 1.517 7.879 ( 0.310 -0.695 -0.210) 0.789 7.926 ( -3.931 -5.518 0.123) 6.776 8.550 ( 3.318 9.844 -0.242) 10.391 8.618 ( -3.483 5.067 0.610) 6.179 8.832 ( 7.342 -5.981 -0.140) 9.471 8.845 ( 5.567 -4.963 -0.528) 7.476 9.172 ( -1.683 0.595 0.152) 1.792 9.187 ( -1.949 -1.075 0.083) 2.227 9.315 ( 2.561 1.141 -2.834) 3.987 9.340 ( 1.620 -1.590 2.664) 3.500 9.624 ( -0.558 2.934 2.468) 3.875 9.646 ( -2.626 0.528 -3.946) 4.769 9.810 ( -0.620 0.541 -0.260) 0.863 9.830 ( -1.634 -1.595 1.116) 2.541 9.908 ( 0.460 1.190 3.901) 4.104 9.940 ( -0.393 -2.137 -3.817) 4.392 10.094 ( -1.870 1.522 -0.849) 2.556 10.120 ( -3.569 -1.307 0.580) 3.845 ======================= Grid point 63 (52/75) ======================= q-point: ( 0.42 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 6.659 -3.541) 7.542 1.255 ( 0.000 18.028 -2.255) 18.169 1.284 ( 0.000 3.276 -5.016) 5.991 1.403 ( 0.000 -9.142 -12.389) 15.397 1.817 ( -0.000 -3.594 11.280) 11.839 2.088 ( -0.000 2.002 6.960) 7.242 2.172 ( -0.000 16.385 6.901) 17.779 2.210 ( 0.000 -12.015 -10.132) 15.717 2.284 ( 0.000 0.881 -2.134) 2.309 2.329 ( -0.000 -7.502 3.825) 8.421 2.413 ( -0.000 0.336 0.095) 0.349 2.420 ( 0.000 -0.317 -1.286) 1.325 2.503 ( -0.000 -3.944 2.893) 4.891 2.579 ( 0.000 5.022 -4.984) 7.076 2.645 ( 0.000 1.019 -3.881) 4.013 2.690 ( -0.000 -1.220 0.125) 1.227 2.728 ( 0.000 1.286 -1.534) 2.002 2.755 ( -0.000 -3.163 3.271) 4.550 2.869 ( -0.000 -6.766 2.895) 7.359 2.882 ( 0.000 3.947 -0.754) 4.018 3.274 ( -0.000 8.065 4.294) 9.137 3.360 ( 0.000 -4.173 -4.800) 6.360 3.463 ( 0.000 -3.533 -2.248) 4.187 3.489 ( -0.000 8.402 1.806) 8.593 3.521 ( -0.000 -0.069 0.944) 0.947 3.646 ( 0.000 4.846 -2.927) 5.661 4.008 ( -0.000 1.522 3.316) 3.648 4.161 ( 0.000 2.030 -3.230) 3.815 4.816 ( 0.000 -14.968 -2.501) 15.176 4.875 ( 0.000 -2.908 -1.344) 3.203 4.947 ( -0.000 2.981 0.595) 3.040 5.040 ( -0.000 14.450 2.541) 14.672 6.049 ( -0.000 -12.119 3.198) 12.533 6.381 ( 0.000 9.198 -2.407) 9.507 6.610 ( -0.000 -0.059 0.525) 0.528 6.621 ( 0.000 -0.569 -0.222) 0.611 8.001 ( -0.000 -1.077 0.547) 1.208 8.061 ( 0.000 2.543 -0.624) 2.618 8.240 ( -0.000 -12.836 1.279) 12.900 8.592 ( 0.000 16.061 -1.976) 16.182 8.636 ( -0.000 -7.654 0.428) 7.666 8.792 ( 0.000 7.072 -0.179) 7.074 9.098 ( -0.000 0.751 1.001) 1.251 9.105 ( 0.000 -1.476 -0.195) 1.489 9.245 ( 0.000 -0.044 -0.113) 0.121 9.327 ( 0.000 3.531 -2.262) 4.193 9.650 ( 0.000 -8.171 -1.230) 8.263 9.746 ( -0.000 5.948 0.337) 5.958 9.813 ( -0.000 4.530 1.251) 4.699 9.835 ( 0.000 -1.160 -1.992) 2.305 9.981 ( -0.000 -3.933 1.138) 4.095 10.095 ( 0.000 3.495 -0.710) 3.566 10.253 ( 0.000 -4.858 -0.590) 4.894 10.315 ( -0.000 3.574 0.334) 3.590 ======================= Grid point 64 (53/75) ======================= q-point: (-0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -10.279 -7.013 0.000) 12.443 1.740 ( -6.989 2.839 0.000) 7.544 1.800 ( 1.623 6.345 0.000) 6.550 1.849 ( -3.625 -5.275 -0.000) 6.401 1.937 ( -1.901 2.145 0.000) 2.866 2.040 ( -4.315 -0.091 0.000) 4.316 2.093 ( 3.142 -3.238 -0.000) 4.511 2.155 ( -1.997 -2.514 -0.000) 3.211 2.202 ( 2.050 2.573 0.000) 3.290 2.241 ( 6.748 -0.877 -0.000) 6.805 2.308 ( 5.038 0.728 -0.000) 5.091 2.392 ( -1.527 0.280 0.000) 1.552 2.409 ( 3.212 2.197 -0.000) 3.891 2.485 ( -0.942 0.182 0.000) 0.960 2.527 ( -3.881 -5.545 -0.000) 6.768 2.555 ( 1.621 2.572 0.000) 3.040 2.743 ( -6.235 0.416 0.000) 6.249 2.789 ( -0.438 3.703 0.000) 3.729 2.803 ( -3.142 -5.062 -0.000) 5.958 2.902 ( -0.237 -3.361 -0.000) 3.369 2.991 ( -5.213 0.950 0.000) 5.299 3.189 ( -1.930 -0.823 0.000) 2.098 3.318 ( -0.889 3.301 0.000) 3.418 3.372 ( -3.465 0.368 0.000) 3.485 3.424 ( -4.918 1.263 0.000) 5.078 3.446 ( -8.909 0.273 0.000) 8.913 3.661 ( 9.239 -3.060 -0.000) 9.733 3.670 ( 14.924 -0.809 -0.000) 14.946 4.421 ( -4.334 -3.073 0.000) 5.313 4.649 ( 2.758 1.393 -0.000) 3.090 5.621 ( -7.776 -0.250 0.000) 7.780 5.762 ( 3.627 0.979 -0.000) 3.756 6.023 ( -3.683 0.966 0.000) 3.808 6.169 ( 7.022 3.577 -0.000) 7.880 6.195 ( -5.702 -4.669 0.000) 7.370 6.327 ( 5.422 -3.363 -0.000) 6.381 7.943 ( -4.780 6.278 0.000) 7.891 8.070 ( 5.968 9.324 0.000) 11.070 8.345 ( -4.861 -10.888 -0.000) 11.923 8.467 ( 6.067 -10.423 -0.000) 12.061 8.900 ( -9.654 2.613 0.000) 10.001 8.967 ( -7.361 6.726 0.000) 9.971 9.165 ( 3.609 -0.850 -0.000) 3.707 9.206 ( -5.134 1.109 0.000) 5.252 9.249 ( 4.629 0.392 -0.000) 4.645 9.420 ( -0.697 1.498 0.000) 1.653 9.506 ( 3.457 -2.574 -0.000) 4.310 9.592 ( -4.225 -4.641 0.000) 6.276 9.800 ( -1.077 -0.426 0.000) 1.158 9.894 ( 5.043 1.395 -0.000) 5.233 9.901 ( 6.034 2.446 -0.000) 6.511 9.999 ( -4.943 -0.172 0.000) 4.946 10.043 ( -1.459 -1.580 0.000) 2.151 10.149 ( 3.878 0.514 -0.000) 3.912 ======================= Grid point 68 (54/75) ======================= q-point: ( 0.41 -0.41 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -7.991 3.532 0.000) 8.737 1.520 ( -11.940 12.833 0.000) 17.529 1.555 ( -0.697 5.875 0.000) 5.916 1.636 ( -4.923 1.318 0.000) 5.097 1.713 ( 13.691 -7.882 -0.000) 15.797 1.831 ( -10.893 -7.561 0.000) 13.259 2.040 ( 4.090 -0.951 -0.000) 4.199 2.319 ( -1.200 5.641 0.000) 5.767 2.344 ( 3.655 0.038 -0.000) 3.655 2.374 ( 0.997 -0.362 -0.000) 1.061 2.402 ( 2.720 -1.481 -0.000) 3.097 2.454 ( 0.937 -0.146 -0.000) 0.949 2.509 ( -4.898 -6.114 -0.000) 7.834 2.511 ( -0.413 4.736 0.000) 4.754 2.608 ( 5.173 2.754 -0.000) 5.861 2.680 ( 3.095 -7.027 -0.000) 7.678 2.744 ( -0.685 0.716 0.000) 0.991 2.769 ( 1.063 -3.009 -0.000) 3.191 2.881 ( 11.329 4.256 -0.000) 12.102 2.933 ( 4.194 -6.500 -0.000) 7.736 2.936 ( -9.312 -8.914 0.000) 12.891 2.984 ( 0.208 6.782 0.000) 6.785 3.255 ( 9.815 -2.372 -0.000) 10.098 3.381 ( 6.820 1.769 -0.000) 7.046 3.459 ( 2.332 5.409 0.000) 5.891 3.543 ( 1.930 -4.020 -0.000) 4.460 3.993 ( 2.499 1.395 -0.000) 2.862 4.103 ( 4.874 -0.521 -0.000) 4.901 4.634 ( 4.874 -9.919 -0.000) 11.052 4.701 ( 3.527 4.916 0.000) 6.051 5.287 ( -10.064 -5.399 0.000) 11.421 5.393 ( -9.462 8.356 0.000) 12.623 6.094 ( -3.885 -9.213 -0.000) 9.999 6.365 ( 9.141 -3.358 -0.000) 9.739 6.393 ( 0.667 8.490 0.000) 8.516 6.443 ( 7.052 0.818 -0.000) 7.099 8.004 ( 5.310 -5.646 -0.000) 7.751 8.092 ( -0.074 3.671 0.000) 3.672 8.288 ( -7.356 -6.934 0.000) 10.109 8.510 ( -1.535 10.012 0.000) 10.129 8.666 ( -0.357 -5.836 -0.000) 5.847 8.792 ( 2.846 5.703 0.000) 6.373 9.078 ( -0.017 -1.978 -0.000) 1.978 9.127 ( -2.267 0.925 0.000) 2.448 9.324 ( -2.135 -1.489 0.000) 2.603 9.373 ( 0.655 3.087 0.000) 3.155 9.623 ( 2.394 3.387 0.000) 4.148 9.653 ( 0.623 -7.684 -0.000) 7.709 9.811 ( -1.921 2.483 0.000) 3.140 9.906 ( 1.270 3.656 0.000) 3.871 9.991 ( 4.511 -4.608 -0.000) 6.449 10.047 ( -2.218 0.271 0.000) 2.234 10.193 ( 1.409 -3.113 -0.000) 3.417 10.241 ( 3.217 3.164 -0.000) 4.513 ======================= Grid point 70 (55/75) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -5.359 0.000 -18.110) 18.886 0.971 ( -14.320 -0.000 -16.489) 21.839 1.371 ( -19.083 -0.000 -20.980) 28.361 1.725 ( 2.695 -0.000 4.753) 5.464 1.907 ( -0.723 -0.000 3.533) 3.607 1.998 ( -2.772 -0.000 -2.531) 3.754 2.110 ( -2.777 -0.000 0.696) 2.863 2.116 ( 2.079 -0.000 8.495) 8.746 2.208 ( -1.892 -0.000 6.331) 6.608 2.379 ( 0.930 0.000 -3.362) 3.488 2.386 ( 2.836 -0.000 5.481) 6.171 2.415 ( 0.327 0.000 -0.229) 0.399 2.545 ( 5.841 0.000 -1.647) 6.069 2.628 ( 1.460 0.000 -0.726) 1.630 2.642 ( 5.281 0.000 4.239) 6.772 2.680 ( -0.171 0.000 -2.178) 2.185 2.756 ( -0.771 -0.000 -0.697) 1.040 2.800 ( -5.632 -0.000 -1.193) 5.757 2.932 ( 2.774 -0.000 4.639) 5.405 3.063 ( 0.776 0.000 -6.629) 6.674 3.104 ( -1.993 -0.000 -0.911) 2.192 3.236 ( 1.286 0.000 0.481) 1.373 3.370 ( 7.562 0.000 -0.574) 7.584 3.420 ( 11.293 0.000 2.812) 11.638 3.592 ( 8.395 0.000 -2.269) 8.696 3.663 ( 4.071 0.000 -1.208) 4.246 4.105 ( -1.888 -0.000 1.574) 2.458 4.135 ( 3.294 0.000 -4.836) 5.851 4.328 ( -1.880 -0.000 -1.996) 2.742 4.870 ( -8.618 -0.000 -1.806) 8.805 4.958 ( 1.192 0.000 0.124) 1.199 5.620 ( -7.793 -0.000 1.376) 7.914 5.748 ( -0.245 -0.000 4.541) 4.547 6.503 ( 1.572 0.000 -0.399) 1.622 6.551 ( 7.618 0.000 2.310) 7.960 6.622 ( 2.734 0.000 -1.550) 3.143 7.925 ( 2.234 0.000 0.274) 2.251 8.059 ( -5.155 -0.000 0.849) 5.225 8.128 ( 0.865 0.000 -1.025) 1.341 8.468 ( -3.482 -0.000 0.560) 3.527 8.885 ( 6.034 0.000 -0.423) 6.049 8.910 ( 5.340 0.000 -5.124) 7.401 9.069 ( 0.209 0.000 0.265) 0.337 9.167 ( -5.062 -0.000 -0.895) 5.141 9.225 ( -2.021 -0.000 -0.938) 2.228 9.298 ( -3.914 -0.000 -2.751) 4.784 9.323 ( -3.615 -0.000 -2.707) 4.516 9.839 ( 1.845 0.000 0.115) 1.849 9.876 ( -3.200 -0.000 -0.438) 3.230 9.932 ( 2.742 0.000 0.832) 2.865 9.996 ( -5.123 -0.000 1.570) 5.359 10.044 ( 3.235 0.000 -1.086) 3.412 10.114 ( 4.454 0.000 -0.545) 4.487 10.367 ( 1.934 0.000 0.622) 2.032 ======================= Grid point 72 (56/75) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.000 19.853 0.000) 19.853 0.887 ( -0.000 22.225 0.000) 22.225 1.462 ( -0.000 36.466 0.000) 36.466 1.600 ( 0.000 -3.380 -0.000) 3.380 1.657 ( 0.000 -9.935 -0.000) 9.935 1.764 ( 0.000 -12.991 -0.000) 12.991 2.106 ( 0.000 -6.297 -0.000) 6.297 2.361 ( 0.000 -1.338 -0.000) 1.338 2.383 ( -0.000 2.393 0.000) 2.393 2.386 ( -0.000 5.115 0.000) 5.115 2.434 ( 0.000 -5.833 -0.000) 5.833 2.472 ( 0.000 -1.056 -0.000) 1.056 2.472 ( 0.000 -0.337 -0.000) 0.337 2.627 ( 0.000 -4.022 -0.000) 4.022 2.649 ( -0.000 4.075 0.000) 4.075 2.698 ( -0.000 2.146 0.000) 2.146 2.744 ( 0.000 -1.595 -0.000) 1.595 2.803 ( -0.000 3.191 0.000) 3.191 2.879 ( 0.000 -11.481 -0.000) 11.481 3.006 ( 0.000 -4.259 -0.000) 4.259 3.038 ( -0.000 7.378 0.000) 7.378 3.286 ( -0.000 9.174 0.000) 9.174 3.443 ( 0.000 -0.317 -0.000) 0.317 3.510 ( 0.000 -1.440 -0.000) 1.440 3.541 ( 0.000 -2.356 -0.000) 2.356 3.622 ( -0.000 0.532 0.000) 0.532 3.937 ( -0.000 1.014 0.000) 1.014 4.147 ( -0.000 2.225 0.000) 2.225 4.719 ( -0.000 16.151 0.000) 16.151 4.833 ( -0.000 6.254 0.000) 6.254 4.944 ( 0.000 -2.264 -0.000) 2.264 5.149 ( 0.000 -16.043 -0.000) 16.043 6.213 ( -0.000 11.043 0.000) 11.043 6.245 ( 0.000 -11.565 -0.000) 11.565 6.611 ( 0.000 -0.290 -0.000) 0.290 6.649 ( 0.000 -1.646 -0.000) 1.646 8.025 ( 0.000 -2.066 -0.000) 2.066 8.031 ( -0.000 1.286 0.000) 1.286 8.305 ( -0.000 15.430 0.000) 15.430 8.473 ( 0.000 -13.394 -0.000) 13.394 8.648 ( -0.000 8.104 0.000) 8.104 8.773 ( 0.000 -7.030 -0.000) 7.030 9.065 ( -0.000 1.232 0.000) 1.232 9.132 ( 0.000 -0.937 -0.000) 0.937 9.211 ( -0.000 3.405 0.000) 3.405 9.256 ( -0.000 4.794 0.000) 4.794 9.604 ( -0.000 8.427 0.000) 8.427 9.753 ( 0.000 -0.010 -0.000) 0.010 9.766 ( 0.000 -3.617 -0.000) 3.617 9.897 ( 0.000 -2.838 -0.000) 2.838 10.037 ( -0.000 3.368 0.000) 3.368 10.055 ( 0.000 -4.662 -0.000) 4.662 10.226 ( -0.000 5.420 0.000) 5.420 10.337 ( 0.000 -3.515 -0.000) 3.515 ======================= Grid point 75 (57/75) ======================= q-point: (-0.21 -0.54 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 5.664 -0.000 17.357) 18.258 1.468 ( -10.211 -0.000 -6.708) 12.218 1.636 ( -1.939 0.000 -9.187) 9.390 1.914 ( -2.057 -0.000 3.125) 3.741 1.980 ( -5.993 -0.000 8.772) 10.624 2.096 ( 0.962 0.000 -0.753) 1.222 2.112 ( 0.771 0.000 -0.673) 1.023 2.175 ( -2.682 -0.000 -3.355) 4.296 2.216 ( 7.220 0.000 3.305) 7.940 2.284 ( -2.235 -0.000 -2.708) 3.511 2.316 ( -1.331 -0.000 1.043) 1.691 2.444 ( -1.738 -0.000 -1.338) 2.194 2.460 ( -0.147 -0.000 4.720) 4.722 2.535 ( 2.121 -0.000 6.134) 6.490 2.586 ( -1.527 0.000 -7.199) 7.360 2.606 ( 3.138 -0.000 5.578) 6.400 2.652 ( 5.451 0.000 3.217) 6.329 2.726 ( 1.025 0.000 -0.316) 1.073 2.812 ( 11.076 0.000 -0.343) 11.081 2.828 ( -2.022 -0.000 -1.729) 2.661 2.972 ( -2.020 -0.000 4.981) 5.375 3.099 ( -8.839 -0.000 -0.999) 8.895 3.220 ( 1.506 0.000 0.489) 1.584 3.305 ( -2.050 -0.000 0.536) 2.119 3.319 ( -1.756 -0.000 -1.224) 2.140 3.468 ( 4.205 0.000 0.951) 4.311 3.885 ( 10.417 0.000 1.618) 10.541 3.955 ( 10.120 0.000 -0.392) 10.127 4.348 ( -1.020 -0.000 2.465) 2.667 4.728 ( 3.427 0.000 0.580) 3.475 5.420 ( -10.225 -0.000 -0.395) 10.232 5.789 ( -4.047 -0.000 0.665) 4.102 5.982 ( -7.645 -0.000 -0.553) 7.665 6.087 ( 8.119 0.000 2.557) 8.512 6.357 ( 5.335 0.000 0.246) 5.341 6.432 ( 7.845 0.000 -1.073) 7.918 7.927 ( -3.950 -0.000 0.069) 3.950 8.130 ( -2.044 -0.000 0.069) 2.046 8.262 ( -1.650 -0.000 0.394) 1.696 8.515 ( 11.109 0.000 -0.442) 11.117 8.718 ( -9.112 -0.000 1.023) 9.170 8.869 ( -4.731 -0.000 -0.650) 4.775 9.072 ( -4.432 -0.000 1.646) 4.728 9.261 ( 3.335 0.000 0.018) 3.335 9.369 ( -5.718 -0.000 -0.671) 5.757 9.385 ( 3.521 0.000 0.132) 3.523 9.451 ( -2.623 -0.000 0.221) 2.633 9.663 ( 8.339 0.000 4.182) 9.329 9.785 ( -0.109 -0.000 0.527) 0.538 9.873 ( -2.078 -0.000 -2.711) 3.416 9.974 ( -0.359 -0.000 0.005) 0.359 10.033 ( 4.976 0.000 -0.104) 4.977 10.072 ( 2.885 0.000 0.191) 2.891 10.230 ( 3.181 0.000 0.247) 3.190 ======================= Grid point 79 (58/75) ======================= q-point: (-0.42 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -3.790 0.286 -16.875) 17.298 1.305 ( -7.446 -5.492 -14.100) 16.864 1.537 ( -2.897 9.211 4.199) 10.530 1.650 ( -4.195 15.493 -0.716) 16.067 1.761 ( -3.439 -4.441 -0.093) 5.617 1.952 ( 3.786 -2.066 9.247) 10.204 2.096 ( -1.299 -4.072 -0.726) 4.335 2.187 ( -2.776 -7.716 1.607) 8.356 2.203 ( -3.391 -7.909 -1.658) 8.764 2.386 ( 0.978 -2.799 -2.256) 3.726 2.407 ( 1.224 0.227 -0.155) 1.254 2.437 ( 1.308 1.118 -1.362) 2.195 2.516 ( 4.670 4.437 -0.617) 6.471 2.587 ( 3.532 0.577 1.588) 3.915 2.636 ( 0.580 -4.278 1.500) 4.571 2.683 ( 0.357 2.701 0.626) 2.796 2.728 ( -1.479 -1.291 2.580) 3.242 2.784 ( -2.158 3.567 0.780) 4.241 2.840 ( 0.899 7.107 5.178) 8.839 2.969 ( -0.068 1.832 -1.683) 2.489 3.156 ( 8.249 -0.277 -3.662) 9.029 3.273 ( 10.885 6.005 1.136) 12.483 3.403 ( 0.147 -6.778 -2.337) 7.171 3.430 ( 7.026 -1.944 0.421) 7.302 3.597 ( 5.124 3.235 -0.870) 6.122 3.630 ( 7.609 4.190 -0.641) 8.710 4.059 ( -1.335 1.353 2.039) 2.787 4.170 ( 3.220 2.393 -3.243) 5.159 4.498 ( 2.224 -11.363 -1.568) 11.685 4.893 ( 4.456 1.998 -0.169) 4.886 4.969 ( -9.073 -2.721 -0.469) 9.484 5.413 ( -7.748 11.663 1.483) 14.081 5.851 ( -2.705 -11.280 2.970) 11.974 6.493 ( 1.105 2.654 -1.102) 3.079 6.523 ( 7.682 -0.685 1.143) 7.797 6.603 ( 3.104 3.476 -0.615) 4.701 7.995 ( 3.420 -7.206 0.439) 7.988 8.044 ( -4.703 0.147 0.525) 4.735 8.128 ( -1.033 0.939 -0.505) 1.484 8.519 ( -2.252 -5.795 0.331) 6.226 8.782 ( 6.300 10.414 -1.683) 12.287 8.946 ( 1.050 5.875 -1.189) 6.085 9.072 ( 0.807 -0.861 0.155) 1.190 9.106 ( -1.957 1.352 0.126) 2.382 9.255 ( -1.414 -0.488 -0.635) 1.625 9.390 ( -1.383 1.142 -3.144) 3.619 9.470 ( -0.927 -10.943 -0.964) 11.024 9.779 ( 3.502 3.734 0.770) 5.177 9.884 ( 1.345 3.752 0.330) 3.999 9.890 ( -3.084 0.728 -1.310) 3.429 9.978 ( -4.298 -0.887 1.365) 4.596 10.075 ( 5.571 0.031 -0.435) 5.588 10.152 ( 1.681 -3.065 -1.010) 3.638 10.343 ( 1.833 1.537 0.345) 2.417 ======================= Grid point 80 (59/75) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -4.714 -0.000 0.000) 4.714 1.698 ( 1.837 0.000 -0.000) 1.837 1.767 ( 8.611 0.000 -0.000) 8.611 1.912 ( 15.414 0.000 -0.000) 15.414 2.024 ( -2.412 -0.000 0.000) 2.412 2.045 ( -4.337 -0.000 0.000) 4.337 2.087 ( -1.139 -0.000 0.000) 1.139 2.103 ( -0.606 -0.000 0.000) 0.606 2.114 ( -2.632 -0.000 0.000) 2.632 2.272 ( -3.541 -0.000 0.000) 3.541 2.319 ( -12.001 -0.000 0.000) 12.001 2.425 ( 0.377 0.000 -0.000) 0.377 2.452 ( -2.335 -0.000 0.000) 2.335 2.503 ( -3.729 -0.000 0.000) 3.729 2.543 ( -4.258 -0.000 0.000) 4.258 2.567 ( -0.671 -0.000 0.000) 0.671 2.816 ( 2.395 0.000 -0.000) 2.395 2.862 ( 0.367 0.000 -0.000) 0.367 2.869 ( -5.081 -0.000 0.000) 5.081 3.004 ( -9.913 -0.000 0.000) 9.913 3.050 ( 9.470 0.000 -0.000) 9.470 3.176 ( 1.299 0.000 -0.000) 1.299 3.265 ( 8.164 0.000 -0.000) 8.164 3.344 ( 0.177 0.000 -0.000) 0.177 3.382 ( 9.875 0.000 -0.000) 9.875 3.435 ( -2.885 -0.000 0.000) 2.885 3.714 ( -13.335 -0.000 0.000) 13.335 3.742 ( -12.474 -0.000 0.000) 12.474 4.566 ( -9.846 -0.000 0.000) 9.846 4.586 ( 4.049 0.000 -0.000) 4.049 5.600 ( 8.644 0.000 -0.000) 8.644 5.768 ( -4.974 -0.000 0.000) 4.974 6.096 ( 6.706 0.000 -0.000) 6.706 6.154 ( 1.346 0.000 -0.000) 1.346 6.218 ( -7.998 -0.000 0.000) 7.998 6.258 ( -5.590 -0.000 0.000) 5.590 8.067 ( 8.729 0.000 -0.000) 8.729 8.189 ( 2.988 0.000 -0.000) 2.988 8.253 ( -11.000 -0.000 0.000) 11.000 8.267 ( -2.598 -0.000 0.000) 2.598 8.971 ( 9.705 0.000 -0.000) 9.705 9.032 ( 11.279 0.000 -0.000) 11.279 9.138 ( -8.507 -0.000 0.000) 8.507 9.248 ( -8.937 -0.000 0.000) 8.937 9.309 ( 7.861 0.000 -0.000) 7.861 9.399 ( 3.471 0.000 -0.000) 3.471 9.422 ( -6.853 -0.000 0.000) 6.853 9.735 ( -9.436 -0.000 0.000) 9.436 9.769 ( 5.093 0.000 -0.000) 5.093 9.827 ( 1.631 0.000 -0.000) 1.631 9.864 ( -5.885 -0.000 0.000) 5.885 10.060 ( 4.510 0.000 -0.000) 4.510 10.104 ( -2.869 -0.000 0.000) 2.869 10.137 ( -5.738 -0.000 0.000) 5.738 ======================= Grid point 84 (60/75) ======================= q-point: (-0.43 -0.57 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 8.662 -13.020 -0.000) 15.638 1.537 ( -6.062 1.305 0.000) 6.201 1.775 ( -4.793 5.246 0.000) 7.106 1.776 ( -2.709 1.689 0.000) 3.192 1.899 ( -8.612 -2.080 0.000) 8.860 2.036 ( 1.594 2.960 0.000) 3.361 2.105 ( -11.833 9.664 0.000) 15.278 2.139 ( 4.974 -3.734 -0.000) 6.219 2.229 ( 10.161 -1.293 -0.000) 10.243 2.278 ( 1.196 0.921 -0.000) 1.510 2.357 ( -0.750 -1.912 -0.000) 2.054 2.416 ( 4.638 -1.339 -0.000) 4.828 2.482 ( -0.181 -1.489 -0.000) 1.500 2.505 ( 4.670 2.035 -0.000) 5.094 2.533 ( -0.447 -7.876 -0.000) 7.889 2.596 ( 2.361 2.738 0.000) 3.615 2.700 ( 5.167 -0.315 -0.000) 5.176 2.764 ( -2.554 -2.215 0.000) 3.381 2.852 ( -4.264 2.051 0.000) 4.732 2.889 ( -4.162 -0.920 0.000) 4.263 2.891 ( 8.787 -6.288 -0.000) 10.805 3.120 ( -10.346 -1.366 0.000) 10.436 3.129 ( -1.778 6.323 0.000) 6.568 3.307 ( 0.078 -0.724 -0.000) 0.729 3.404 ( 1.008 -4.953 -0.000) 5.055 3.444 ( 4.174 1.585 -0.000) 4.465 3.874 ( 9.349 -0.463 -0.000) 9.360 3.950 ( 10.348 0.595 -0.000) 10.365 4.392 ( 1.294 -6.488 -0.000) 6.616 4.702 ( 2.459 2.101 -0.000) 3.234 5.437 ( -9.698 -1.419 0.000) 9.801 5.704 ( -6.734 6.416 0.000) 9.301 6.064 ( -6.586 -6.308 0.000) 9.120 6.097 ( 8.652 -3.319 -0.000) 9.267 6.325 ( 7.201 2.611 -0.000) 7.660 6.438 ( 4.912 1.059 -0.000) 5.025 7.886 ( -0.552 1.695 0.000) 1.782 8.171 ( 2.614 7.391 0.000) 7.839 8.250 ( -4.245 -10.199 -0.000) 11.047 8.587 ( 4.542 -5.231 -0.000) 6.928 8.705 ( -7.880 0.395 0.000) 7.890 8.823 ( -3.068 5.479 0.000) 6.279 9.071 ( -4.024 -1.490 0.000) 4.291 9.224 ( 0.272 3.030 0.000) 3.042 9.345 ( -3.384 0.717 0.000) 3.459 9.366 ( 3.790 1.742 -0.000) 4.171 9.541 ( -2.262 -6.585 -0.000) 6.963 9.617 ( 5.696 0.737 -0.000) 5.743 9.801 ( 1.796 -2.158 -0.000) 2.808 9.889 ( -2.880 1.064 0.000) 3.070 9.947 ( 0.703 2.294 0.000) 2.400 10.033 ( 4.455 0.102 -0.000) 4.456 10.098 ( 3.570 -2.450 -0.000) 4.330 10.218 ( 2.825 1.125 -0.000) 3.041 ======================= Grid point 90 (61/75) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -6.680 14.656 0.000) 16.107 1.333 ( -5.560 17.486 0.000) 18.349 1.545 ( -4.030 -4.045 0.000) 5.710 1.579 ( 1.970 3.217 0.000) 3.773 1.621 ( -7.537 -10.029 -0.000) 12.546 1.903 ( 6.426 -4.963 -0.000) 8.119 2.114 ( -0.049 17.073 0.000) 17.074 2.276 ( 1.174 0.112 -0.000) 1.179 2.347 ( -2.601 -3.778 -0.000) 4.587 2.380 ( -2.806 -6.368 -0.000) 6.959 2.406 ( 0.140 0.199 0.000) 0.243 2.444 ( 0.706 -2.120 -0.000) 2.234 2.492 ( -1.665 1.591 0.000) 2.303 2.583 ( 6.183 -0.459 -0.000) 6.200 2.670 ( -2.152 0.708 0.000) 2.266 2.712 ( 0.112 0.009 -0.000) 0.113 2.718 ( -2.915 -9.689 -0.000) 10.118 2.729 ( 0.752 1.806 0.000) 1.957 2.810 ( 0.291 -9.646 -0.000) 9.651 2.951 ( -2.542 4.224 0.000) 4.930 3.115 ( 9.653 8.089 -0.000) 12.594 3.204 ( 14.342 -1.860 -0.000) 14.462 3.425 ( 5.674 1.885 -0.000) 5.979 3.490 ( 0.803 6.270 0.000) 6.321 3.528 ( 1.642 -2.159 -0.000) 2.712 3.583 ( 5.628 1.501 -0.000) 5.824 3.997 ( -1.406 2.412 0.000) 2.792 4.170 ( 1.953 0.911 -0.000) 2.155 4.734 ( 4.913 -10.959 -0.000) 12.010 4.805 ( 6.448 6.830 -0.000) 9.393 5.068 ( -10.480 -7.135 0.000) 12.679 5.187 ( -10.052 10.891 0.000) 14.821 6.035 ( -1.722 -11.492 -0.000) 11.620 6.400 ( 0.272 8.828 0.000) 8.832 6.534 ( 6.392 -1.329 -0.000) 6.529 6.572 ( 4.655 -0.073 -0.000) 4.656 8.038 ( -3.453 -0.160 0.000) 3.457 8.079 ( 0.380 0.039 -0.000) 0.382 8.203 ( 0.336 -10.685 -0.000) 10.690 8.556 ( 4.038 14.817 0.000) 15.358 8.649 ( -1.214 -7.919 -0.000) 8.012 8.813 ( -0.766 7.968 0.000) 8.004 9.093 ( 1.036 -1.244 -0.000) 1.619 9.098 ( -0.762 0.386 0.000) 0.855 9.269 ( -2.245 -0.279 0.000) 2.262 9.361 ( -1.103 4.170 0.000) 4.314 9.666 ( 0.100 -8.293 -0.000) 8.294 9.701 ( 3.945 4.153 -0.000) 5.729 9.796 ( 0.248 4.146 0.000) 4.153 9.883 ( -2.492 1.282 0.000) 2.802 9.990 ( -2.206 -1.852 0.000) 2.880 10.073 ( 2.813 0.572 -0.000) 2.870 10.233 ( 2.123 -4.253 -0.000) 4.753 10.295 ( 1.678 3.423 0.000) 3.812 ======================= Grid point 92 (62/75) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 0.000 -20.478) 20.478 0.831 ( 0.000 0.000 -21.256) 21.256 1.152 ( 0.000 0.000 -30.230) 30.230 1.802 ( -0.000 -0.000 10.072) 10.072 1.841 ( -0.000 -0.000 1.861) 1.861 1.965 ( 0.000 0.000 -2.297) 2.297 2.084 ( -0.000 -0.000 0.485) 0.485 2.118 ( -0.000 -0.000 9.694) 9.694 2.215 ( -0.000 -0.000 6.691) 6.691 2.379 ( 0.000 0.000 -5.337) 5.337 2.409 ( -0.000 -0.000 4.849) 4.849 2.421 ( -0.000 -0.000 0.167) 0.167 2.649 ( -0.000 -0.000 0.818) 0.818 2.671 ( -0.000 -0.000 3.252) 3.252 2.676 ( 0.000 0.000 -3.218) 3.218 2.692 ( 0.000 0.000 -6.107) 6.107 2.714 ( 0.000 0.000 -1.092) 1.092 2.718 ( 0.000 0.000 -1.042) 1.042 2.993 ( -0.000 -0.000 9.102) 9.102 3.057 ( 0.000 0.000 -0.128) 0.128 3.067 ( 0.000 0.000 -11.230) 11.230 3.252 ( 0.000 0.000 -0.621) 0.621 3.467 ( 0.000 0.000 -1.633) 1.633 3.559 ( -0.000 -0.000 3.956) 3.956 3.660 ( 0.000 0.000 -1.609) 1.609 3.739 ( 0.000 0.000 -4.422) 4.422 4.061 ( -0.000 -0.000 1.140) 1.140 4.189 ( 0.000 0.000 -6.380) 6.380 4.302 ( 0.000 0.000 -2.923) 2.923 4.732 ( 0.000 0.000 -2.876) 2.876 5.007 ( 0.000 0.000 -1.003) 1.003 5.524 ( -0.000 -0.000 2.941) 2.941 5.747 ( -0.000 -0.000 4.891) 4.891 6.519 ( 0.000 0.000 -0.460) 0.460 6.637 ( -0.000 -0.000 1.912) 1.912 6.651 ( 0.000 0.000 -1.276) 1.276 7.954 ( -0.000 -0.000 0.083) 0.083 7.997 ( -0.000 -0.000 0.686) 0.686 8.138 ( 0.000 0.000 -1.474) 1.474 8.430 ( -0.000 -0.000 0.623) 0.623 8.951 ( 0.000 0.000 -0.164) 0.164 9.001 ( 0.000 0.000 -7.586) 7.586 9.071 ( 0.000 0.000 -0.261) 0.261 9.074 ( 0.000 0.000 -0.045) 0.045 9.228 ( 0.000 0.000 -1.332) 1.332 9.238 ( 0.000 0.000 -2.812) 2.812 9.268 ( 0.000 0.000 -4.883) 4.883 9.843 ( 0.000 0.000 -0.858) 0.858 9.865 ( 0.000 0.000 -0.549) 0.549 9.928 ( -0.000 -0.000 1.433) 1.433 9.953 ( -0.000 -0.000 0.562) 0.562 10.081 ( 0.000 0.000 -1.409) 1.409 10.165 ( 0.000 0.000 -0.389) 0.389 10.387 ( -0.000 -0.000 0.735) 0.735 ======================= Grid point 97 (63/75) ======================= q-point: (-0.26 -0.49 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -0.841 0.000 -7.746) 7.791 1.493 ( 10.335 0.000 2.391) 10.608 1.504 ( -10.321 -0.000 -12.847) 16.480 1.835 ( -7.351 -0.000 9.072) 11.677 1.922 ( 2.264 -0.000 6.549) 6.930 1.974 ( -7.748 -0.000 -2.871) 8.263 2.081 ( -2.440 -0.000 2.787) 3.704 2.186 ( -0.772 0.000 -1.453) 1.645 2.201 ( -6.240 -0.000 2.796) 6.838 2.331 ( 1.590 0.000 -3.993) 4.298 2.376 ( 3.706 0.000 -4.103) 5.529 2.408 ( 0.657 0.000 -0.361) 0.749 2.428 ( 1.100 0.000 -1.903) 2.198 2.506 ( -0.231 0.000 -0.586) 0.630 2.599 ( 2.031 0.000 1.149) 2.334 2.670 ( 2.821 0.000 0.682) 2.902 2.748 ( -2.094 -0.000 2.621) 3.355 2.793 ( 7.286 0.000 7.436) 10.410 2.844 ( 0.882 -0.000 2.294) 2.458 2.939 ( 3.696 0.000 2.682) 4.566 3.093 ( 8.271 0.000 -2.111) 8.536 3.118 ( 13.081 0.000 1.243) 13.140 3.237 ( 0.186 -0.000 2.278) 2.286 3.283 ( -1.336 0.000 -2.710) 3.022 3.393 ( 10.088 0.000 -0.337) 10.094 3.568 ( 4.923 0.000 0.380) 4.937 4.047 ( 4.532 0.000 1.834) 4.889 4.110 ( 5.393 0.000 -1.931) 5.728 4.354 ( 0.902 0.000 0.289) 0.947 4.805 ( 4.407 0.000 1.513) 4.660 5.186 ( -12.067 -0.000 -0.766) 12.092 5.706 ( -2.956 -0.000 2.700) 4.004 5.803 ( -9.437 -0.000 -0.171) 9.439 6.303 ( 11.160 0.000 1.943) 11.328 6.454 ( 3.764 0.000 -0.059) 3.764 6.569 ( 5.097 0.000 -1.344) 5.271 7.887 ( 0.101 -0.000 0.218) 0.240 8.117 ( 0.723 0.000 -0.190) 0.748 8.173 ( -6.126 -0.000 0.488) 6.146 8.559 ( -6.111 -0.000 0.597) 6.140 8.731 ( 9.237 0.000 -0.431) 9.247 8.868 ( 3.967 0.000 -1.995) 4.441 9.042 ( 0.705 -0.000 1.032) 1.250 9.271 ( -3.945 -0.000 -0.418) 3.967 9.287 ( -0.967 -0.000 -0.318) 1.018 9.368 ( -3.998 -0.000 0.311) 4.010 9.419 ( -0.010 0.000 -0.810) 0.810 9.791 ( 1.078 0.000 0.846) 1.371 9.830 ( 6.372 0.000 3.067) 7.072 9.875 ( 1.874 0.000 -1.101) 2.173 10.023 ( 4.463 0.000 -0.503) 4.492 10.050 ( -2.451 -0.000 -0.916) 2.616 10.080 ( -1.839 -0.000 -0.588) 1.930 10.300 ( 3.416 0.000 0.312) 3.430 ======================= Grid point 101 (64/75) ======================= q-point: (-0.48 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 -1.880 -17.814) 17.913 1.232 ( 0.000 -6.003 -15.327) 16.460 1.507 ( -0.000 12.708 6.303) 14.185 1.605 ( 0.000 16.259 -1.043) 16.292 1.720 ( 0.000 -6.139 -9.418) 11.242 2.024 ( -0.000 -2.967 8.120) 8.645 2.025 ( -0.000 -7.396 1.800) 7.611 2.161 ( 0.000 -8.055 -1.835) 8.261 2.189 ( -0.000 -6.798 3.629) 7.706 2.399 ( 0.000 -1.507 -0.862) 1.736 2.417 ( -0.000 0.157 0.126) 0.201 2.455 ( 0.000 -0.258 -1.229) 1.256 2.558 ( -0.000 7.928 2.814) 8.413 2.641 ( -0.000 0.616 5.271) 5.307 2.642 ( 0.000 -1.100 -1.237) 1.655 2.660 ( -0.000 -1.520 2.057) 2.558 2.739 ( 0.000 2.735 -0.120) 2.738 2.755 ( 0.000 1.131 -2.655) 2.886 2.855 ( -0.000 9.697 4.861) 10.847 2.948 ( 0.000 2.062 -3.759) 4.288 3.277 ( 0.000 -3.943 -6.336) 7.463 3.366 ( 0.000 -5.481 -1.940) 5.814 3.410 ( -0.000 4.873 2.388) 5.427 3.523 ( -0.000 -0.412 0.530) 0.671 3.623 ( -0.000 5.295 0.462) 5.316 3.750 ( 0.000 5.291 -3.047) 6.105 4.032 ( -0.000 0.911 1.778) 1.998 4.210 ( 0.000 3.529 -3.884) 5.248 4.534 ( 0.000 -13.856 -2.266) 14.040 4.812 ( 0.000 -3.141 -1.748) 3.595 5.003 ( 0.000 2.173 -0.409) 2.211 5.302 ( -0.000 13.029 2.446) 13.257 5.824 ( -0.000 -11.730 3.551) 12.256 6.504 ( 0.000 3.311 -1.215) 3.527 6.610 ( -0.000 -0.030 0.940) 0.941 6.636 ( 0.000 2.470 -0.468) 2.514 7.989 ( -0.000 -0.377 0.492) 0.620 8.036 ( -0.000 -8.329 0.433) 8.341 8.119 ( 0.000 3.362 -0.751) 3.445 8.494 ( -0.000 -6.682 0.358) 6.691 8.893 ( 0.000 15.529 -2.919) 15.801 8.904 ( 0.000 4.697 -0.220) 4.702 9.081 ( 0.000 -0.935 -0.125) 0.943 9.094 ( -0.000 -1.191 0.420) 1.263 9.245 ( 0.000 0.277 -0.850) 0.894 9.372 ( 0.000 1.171 -4.468) 4.619 9.456 ( 0.000 -12.235 -1.593) 12.338 9.829 ( 0.000 2.981 -0.302) 2.996 9.844 ( 0.000 1.907 -1.143) 2.223 9.902 ( -0.000 4.174 0.670) 4.228 9.925 ( -0.000 -2.005 1.172) 2.323 10.150 ( 0.000 2.163 -0.349) 2.191 10.160 ( 0.000 -4.649 -0.944) 4.744 10.362 ( -0.000 1.506 0.422) 1.564 ======================= Grid point 102 (65/75) ======================= q-point: (-0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -13.709 -0.000 0.000) 13.709 1.735 ( 1.021 0.000 -0.000) 1.021 1.802 ( -15.959 -0.000 0.000) 15.959 1.872 ( 2.438 0.000 -0.000) 2.438 2.002 ( 3.038 0.000 -0.000) 3.038 2.039 ( -5.661 -0.000 0.000) 5.661 2.044 ( 1.207 0.000 -0.000) 1.207 2.125 ( 0.410 0.000 -0.000) 0.410 2.232 ( 1.256 0.000 -0.000) 1.256 2.238 ( 11.557 0.000 -0.000) 11.557 2.311 ( 4.206 0.000 -0.000) 4.206 2.405 ( -1.999 -0.000 0.000) 1.999 2.433 ( -2.044 -0.000 0.000) 2.044 2.452 ( 3.558 0.000 -0.000) 3.558 2.491 ( -0.616 -0.000 0.000) 0.616 2.582 ( 1.650 0.000 -0.000) 1.650 2.749 ( -11.986 -0.000 0.000) 11.986 2.761 ( -3.792 -0.000 0.000) 3.792 2.799 ( -3.181 -0.000 0.000) 3.181 2.873 ( 0.075 0.000 -0.000) 0.075 2.999 ( -5.443 -0.000 0.000) 5.443 3.198 ( 0.871 0.000 -0.000) 0.871 3.349 ( -2.238 -0.000 0.000) 2.238 3.355 ( -1.461 -0.000 0.000) 1.461 3.449 ( -11.031 -0.000 0.000) 11.031 3.452 ( -11.546 -0.000 0.000) 11.546 3.626 ( 12.391 0.000 -0.000) 12.391 3.661 ( 17.537 0.000 -0.000) 17.537 4.390 ( -6.123 -0.000 0.000) 6.123 4.663 ( 3.278 0.000 -0.000) 3.278 5.620 ( -8.511 -0.000 0.000) 8.511 5.768 ( 6.852 0.000 -0.000) 6.852 6.050 ( -6.861 -0.000 0.000) 6.861 6.133 ( -6.358 -0.000 0.000) 6.358 6.231 ( 6.211 0.000 -0.000) 6.211 6.265 ( 7.986 0.000 -0.000) 7.986 8.051 ( -7.942 -0.000 0.000) 7.942 8.195 ( -3.815 -0.000 0.000) 3.815 8.246 ( 2.142 0.000 -0.000) 2.142 8.281 ( 11.242 0.000 -0.000) 11.242 8.924 ( -11.091 -0.000 0.000) 11.091 9.040 ( -10.076 -0.000 0.000) 10.076 9.151 ( 7.107 0.000 -0.000) 7.107 9.219 ( -10.307 -0.000 0.000) 10.307 9.254 ( 9.054 0.000 -0.000) 9.054 9.443 ( 3.714 0.000 -0.000) 3.714 9.479 ( 4.745 0.000 -0.000) 4.745 9.535 ( -8.987 -0.000 0.000) 8.987 9.795 ( -1.423 -0.000 0.000) 1.423 9.907 ( 5.882 0.000 -0.000) 5.882 9.928 ( 8.641 0.000 -0.000) 8.641 9.998 ( -5.993 -0.000 0.000) 5.993 10.025 ( -4.409 -0.000 0.000) 4.409 10.154 ( 4.158 0.000 -0.000) 4.158 ======================= Grid point 106 (66/75) ======================= q-point: (-0.49 -0.51 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 8.198 -5.301 -0.000) 9.763 1.593 ( 8.502 0.956 -0.000) 8.556 1.628 ( -8.139 1.396 0.000) 8.257 1.685 ( -11.012 -1.561 0.000) 11.123 1.749 ( 1.243 6.223 0.000) 6.346 1.845 ( -11.497 10.993 0.000) 15.907 2.027 ( 0.847 0.088 -0.000) 0.852 2.264 ( 4.067 -5.794 -0.000) 7.078 2.300 ( -2.112 -6.192 -0.000) 6.543 2.367 ( 3.104 0.635 -0.000) 3.168 2.394 ( 2.707 0.036 -0.000) 2.707 2.427 ( -2.459 -1.789 0.000) 3.041 2.512 ( 1.106 2.872 0.000) 3.078 2.545 ( 2.124 -6.313 -0.000) 6.661 2.602 ( 3.574 1.482 -0.000) 3.869 2.655 ( 2.021 0.390 -0.000) 2.058 2.720 ( 3.893 -0.850 -0.000) 3.985 2.761 ( -7.321 -7.624 0.000) 10.570 2.789 ( -0.843 6.943 0.000) 6.994 2.849 ( 2.692 -2.113 -0.000) 3.423 3.001 ( 11.731 6.415 -0.000) 13.370 3.124 ( 0.076 7.059 0.000) 7.059 3.199 ( 11.722 -3.731 -0.000) 12.301 3.398 ( 8.915 -0.149 -0.000) 8.917 3.430 ( 1.025 -7.675 -0.000) 7.743 3.538 ( 4.207 2.867 -0.000) 5.091 4.018 ( 3.887 1.120 -0.000) 4.045 4.108 ( 5.358 1.156 -0.000) 5.481 4.449 ( 3.373 -8.868 -0.000) 9.488 4.768 ( 4.395 2.358 -0.000) 4.988 5.216 ( -11.354 -2.438 0.000) 11.613 5.557 ( -7.088 8.828 0.000) 11.321 5.926 ( -6.253 -8.680 -0.000) 10.698 6.309 ( 10.712 -2.367 -0.000) 10.970 6.450 ( 4.242 0.482 -0.000) 4.270 6.531 ( 4.139 5.270 0.000) 6.701 7.916 ( 3.042 -3.325 -0.000) 4.507 8.147 ( -4.441 2.154 0.000) 4.936 8.172 ( -2.954 -5.108 -0.000) 5.901 8.581 ( -4.183 -3.022 0.000) 5.160 8.669 ( 5.002 6.499 0.000) 8.201 8.874 ( 5.417 2.302 -0.000) 5.886 9.045 ( 0.832 -1.333 -0.000) 1.571 9.174 ( -3.757 4.768 0.000) 6.070 9.301 ( -1.973 -0.822 0.000) 2.137 9.415 ( 1.059 1.286 0.000) 1.665 9.497 ( -1.470 -8.803 -0.000) 8.925 9.696 ( 2.782 4.579 0.000) 5.358 9.861 ( 0.190 2.406 0.000) 2.413 9.896 ( 5.248 -5.431 -0.000) 7.552 9.979 ( 2.356 3.788 0.000) 4.461 10.050 ( -2.727 0.075 0.000) 2.728 10.135 ( 0.759 -3.068 -0.000) 3.160 10.284 ( 3.372 1.454 -0.000) 3.672 ======================= Grid point 112 (67/75) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -0.000 17.650 0.000) 17.650 1.278 ( -0.000 19.405 0.000) 19.405 1.489 ( 0.000 -8.091 -0.000) 8.091 1.547 ( 0.000 -9.804 -0.000) 9.804 1.603 ( -0.000 3.419 0.000) 3.419 1.992 ( 0.000 -3.577 -0.000) 3.577 2.098 ( -0.000 28.306 0.000) 28.306 2.292 ( 0.000 -8.048 -0.000) 8.048 2.309 ( 0.000 -4.609 -0.000) 4.609 2.342 ( 0.000 -9.507 -0.000) 9.507 2.407 ( -0.000 0.493 0.000) 0.493 2.455 ( 0.000 -0.304 -0.000) 0.304 2.461 ( 0.000 -0.432 -0.000) 0.432 2.637 ( -0.000 3.755 0.000) 3.755 2.666 ( 0.000 -10.195 -0.000) 10.195 2.683 ( 0.000 -0.080 -0.000) 0.080 2.698 ( 0.000 -0.382 -0.000) 0.382 2.751 ( -0.000 2.536 0.000) 2.536 2.835 ( 0.000 -9.909 -0.000) 9.909 2.909 ( -0.000 6.102 0.000) 6.102 3.229 ( -0.000 9.483 0.000) 9.483 3.406 ( 0.000 -3.408 -0.000) 3.408 3.468 ( -0.000 9.501 0.000) 9.501 3.486 ( 0.000 -3.777 -0.000) 3.777 3.511 ( -0.000 0.868 0.000) 0.868 3.675 ( -0.000 4.973 0.000) 4.973 3.974 ( -0.000 2.421 0.000) 2.421 4.191 ( -0.000 2.519 0.000) 2.519 4.843 ( 0.000 -16.371 -0.000) 16.371 4.891 ( 0.000 -3.334 -0.000) 3.334 4.938 ( -0.000 4.763 0.000) 4.763 5.014 ( -0.000 15.136 0.000) 15.136 6.018 ( 0.000 -12.396 -0.000) 12.396 6.403 ( -0.000 8.902 0.000) 8.902 6.606 ( 0.000 -0.279 -0.000) 0.279 6.623 ( 0.000 -0.801 -0.000) 0.801 7.996 ( 0.000 -1.033 -0.000) 1.033 8.067 ( -0.000 2.590 0.000) 2.590 8.228 ( 0.000 -12.340 -0.000) 12.340 8.611 ( -0.000 16.790 0.000) 16.790 8.632 ( 0.000 -7.930 -0.000) 7.930 8.794 ( -0.000 7.148 0.000) 7.148 9.089 ( -0.000 0.983 0.000) 0.983 9.106 ( 0.000 -1.495 -0.000) 1.495 9.247 ( -0.000 0.604 0.000) 0.604 9.348 ( -0.000 4.584 0.000) 4.584 9.663 ( 0.000 -7.775 -0.000) 7.775 9.743 ( -0.000 6.229 0.000) 6.229 9.801 ( -0.000 4.698 0.000) 4.698 9.855 ( 0.000 -1.296 -0.000) 1.296 9.969 ( 0.000 -4.085 -0.000) 4.085 10.102 ( -0.000 3.304 0.000) 3.304 10.259 ( 0.000 -4.723 -0.000) 4.723 10.312 ( -0.000 3.572 0.000) 3.572 ======================= Grid point 119 (68/75) ======================= q-point: (-0.32 -0.43 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -2.241 0.000 -16.715) 16.864 1.259 ( -11.153 -0.000 -14.675) 18.432 1.629 ( 2.631 -0.000 5.267) 5.888 1.694 ( -4.858 0.000 -11.016) 12.039 1.861 ( -3.343 -0.000 1.142) 3.533 1.949 ( -0.539 -0.000 9.860) 9.874 2.049 ( -1.391 0.000 -2.203) 2.605 2.066 ( -6.325 -0.000 1.402) 6.479 2.104 ( -1.074 -0.000 3.817) 3.965 2.362 ( 1.935 0.000 -2.427) 3.105 2.410 ( 0.754 0.000 -0.195) 0.779 2.456 ( 0.661 0.000 -3.342) 3.407 2.540 ( 5.979 0.000 1.691) 6.213 2.576 ( 5.645 0.000 2.910) 6.351 2.609 ( -0.607 -0.000 1.943) 2.035 2.682 ( -2.994 -0.000 8.973) 9.460 2.715 ( 2.327 0.000 -1.540) 2.791 2.838 ( -1.888 -0.000 -2.235) 2.926 2.886 ( 3.660 0.000 -0.175) 3.664 3.117 ( 9.405 0.000 0.126) 9.406 3.131 ( -3.913 -0.000 -1.621) 4.236 3.268 ( -0.067 0.000 -3.506) 3.506 3.372 ( 9.970 0.000 2.224) 10.215 3.380 ( 9.719 0.000 -0.457) 9.730 3.628 ( 7.145 0.000 -1.683) 7.341 3.674 ( 7.879 0.000 0.020) 7.879 4.072 ( -1.526 -0.000 1.669) 2.261 4.215 ( 5.135 0.000 -3.491) 6.209 4.361 ( -0.498 0.000 -1.536) 1.615 4.902 ( -2.302 -0.000 -1.635) 2.824 4.952 ( -2.530 -0.000 0.570) 2.594 5.599 ( -9.395 -0.000 0.877) 9.436 5.669 ( -0.843 -0.000 3.712) 3.807 6.509 ( 2.346 0.000 -0.181) 2.353 6.517 ( 7.522 0.000 1.283) 7.631 6.647 ( 2.387 0.000 -1.102) 2.629 7.920 ( 2.422 0.000 0.224) 2.432 8.046 ( -5.173 -0.000 0.554) 5.202 8.144 ( 1.385 0.000 -0.670) 1.539 8.459 ( -3.467 -0.000 0.382) 3.488 8.892 ( 5.770 0.000 -0.297) 5.777 8.984 ( 5.950 0.000 -2.777) 6.566 9.064 ( 0.849 0.000 0.225) 0.878 9.193 ( -3.694 -0.000 -1.656) 4.049 9.240 ( -1.925 -0.000 -0.593) 2.014 9.305 ( -2.630 -0.000 0.066) 2.631 9.401 ( -1.270 0.000 -3.649) 3.863 9.836 ( 2.812 0.000 0.161) 2.817 9.877 ( -1.237 -0.000 0.174) 1.250 9.924 ( 2.041 0.000 0.192) 2.050 9.968 ( -4.823 -0.000 1.327) 5.002 10.075 ( 2.236 0.000 -1.879) 2.920 10.123 ( 4.197 0.000 -0.382) 4.214 10.357 ( 1.786 0.000 0.455) 1.843 ======================= Grid point 124 (69/75) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 7.710 0.000 -0.000) 7.710 1.560 ( -5.208 -0.000 0.000) 5.208 1.758 ( 1.820 0.000 -0.000) 1.820 1.854 ( -4.644 -0.000 0.000) 4.644 1.857 ( -10.583 -0.000 0.000) 10.583 2.086 ( -2.312 -0.000 0.000) 2.312 2.106 ( 4.379 0.000 -0.000) 4.379 2.226 ( 16.377 0.000 -0.000) 16.377 2.229 ( -7.768 -0.000 0.000) 7.768 2.286 ( -3.162 -0.000 0.000) 3.162 2.325 ( -1.226 -0.000 0.000) 1.226 2.385 ( 1.954 0.000 -0.000) 1.954 2.444 ( 0.137 0.000 -0.000) 0.137 2.473 ( -2.001 -0.000 0.000) 2.001 2.555 ( 4.689 0.000 -0.000) 4.689 2.633 ( 3.216 0.000 -0.000) 3.216 2.681 ( 5.772 0.000 -0.000) 5.772 2.704 ( -5.908 -0.000 0.000) 5.908 2.834 ( 11.207 0.000 -0.000) 11.207 2.847 ( -2.360 -0.000 0.000) 2.360 2.911 ( -2.389 -0.000 0.000) 2.389 3.105 ( -11.465 -0.000 0.000) 11.465 3.215 ( 0.926 0.000 -0.000) 0.926 3.300 ( -2.105 -0.000 0.000) 2.105 3.331 ( -1.036 -0.000 0.000) 1.036 3.459 ( 4.598 0.000 -0.000) 4.598 3.870 ( 10.255 0.000 -0.000) 10.255 3.959 ( 10.794 0.000 -0.000) 10.794 4.325 ( -0.253 -0.000 0.000) 0.253 4.722 ( 2.556 0.000 -0.000) 2.556 5.424 ( -10.152 -0.000 0.000) 10.152 5.783 ( -5.174 -0.000 0.000) 5.174 5.988 ( -7.711 -0.000 0.000) 7.711 6.063 ( 8.447 0.000 -0.000) 8.447 6.354 ( 5.475 0.000 -0.000) 5.475 6.442 ( 8.091 0.000 -0.000) 8.091 7.927 ( -3.945 -0.000 0.000) 3.945 8.129 ( -2.033 -0.000 0.000) 2.033 8.258 ( -1.676 -0.000 0.000) 1.676 8.519 ( 11.108 0.000 -0.000) 11.108 8.708 ( -8.975 -0.000 0.000) 8.975 8.875 ( -4.274 -0.000 0.000) 4.274 9.057 ( -4.350 -0.000 0.000) 4.350 9.261 ( 3.343 0.000 -0.000) 3.343 9.376 ( -6.109 -0.000 0.000) 6.109 9.383 ( 3.467 0.000 -0.000) 3.467 9.449 ( -2.719 -0.000 0.000) 2.719 9.624 ( 8.748 0.000 -0.000) 8.748 9.780 ( -0.401 -0.000 0.000) 0.401 9.900 ( -2.761 -0.000 0.000) 2.761 9.974 ( 0.014 0.000 -0.000) 0.014 10.034 ( 4.639 0.000 -0.000) 4.639 10.070 ( 3.995 0.000 -0.000) 3.995 10.228 ( 3.089 0.000 -0.000) 3.089 ======================= Grid point 129 (70/75) ======================= q-point: ( 0.46 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 1.223 9.038 0.000) 9.120 1.454 ( -8.255 -2.647 0.000) 8.668 1.479 ( -7.338 -4.884 0.000) 8.814 1.667 ( -5.164 14.636 0.000) 15.521 1.674 ( 2.536 5.939 0.000) 6.458 1.832 ( 4.390 -1.775 -0.000) 4.735 2.105 ( 5.016 -5.099 -0.000) 7.153 2.221 ( -6.486 -9.297 -0.000) 11.336 2.222 ( -3.512 -8.688 -0.000) 9.371 2.409 ( 0.202 0.153 -0.000) 0.253 2.423 ( -2.057 1.931 0.000) 2.821 2.439 ( 2.421 1.203 -0.000) 2.703 2.554 ( 5.005 0.721 -0.000) 5.057 2.565 ( -2.410 -6.249 -0.000) 6.698 2.577 ( -1.320 1.869 0.000) 2.288 2.648 ( 0.076 -7.028 -0.000) 7.028 2.710 ( 2.877 2.248 -0.000) 3.651 2.781 ( 1.312 9.375 0.000) 9.466 2.800 ( 0.311 6.781 0.000) 6.789 2.990 ( 2.429 0.725 -0.000) 2.535 3.191 ( 8.703 0.035 -0.000) 8.704 3.259 ( 10.477 6.878 -0.000) 12.533 3.423 ( 8.557 -1.407 -0.000) 8.672 3.430 ( -1.146 -7.747 -0.000) 7.831 3.603 ( 1.800 4.578 0.000) 4.919 3.638 ( 11.558 3.023 -0.000) 11.947 4.038 ( -1.260 1.728 0.000) 2.138 4.200 ( 3.728 2.531 -0.000) 4.506 4.513 ( 2.713 -11.320 -0.000) 11.641 4.895 ( 7.269 2.949 -0.000) 7.844 4.974 ( -10.971 -3.274 0.000) 11.449 5.398 ( -8.031 11.454 0.000) 13.989 5.822 ( -3.257 -11.229 -0.000) 11.692 6.503 ( 1.257 1.788 0.000) 2.185 6.512 ( 7.853 -0.907 -0.000) 7.905 6.609 ( 2.936 4.032 0.000) 4.988 7.991 ( 3.428 -7.089 -0.000) 7.875 8.039 ( -4.727 0.139 0.000) 4.729 8.133 ( -0.842 1.157 0.000) 1.431 8.516 ( -2.249 -5.824 -0.000) 6.243 8.797 ( 6.387 9.858 0.000) 11.747 8.958 ( 1.133 6.953 0.000) 7.044 9.071 ( 1.066 -0.930 -0.000) 1.414 9.105 ( -2.071 1.582 0.000) 2.606 9.261 ( -1.240 -0.330 0.000) 1.283 9.419 ( -0.345 1.880 0.000) 1.912 9.480 ( -0.492 -11.230 -0.000) 11.241 9.771 ( 4.087 3.938 -0.000) 5.675 9.881 ( 1.178 4.028 0.000) 4.196 9.904 ( -2.777 -0.179 0.000) 2.783 9.964 ( -4.259 -0.909 0.000) 4.354 10.080 ( 5.517 0.550 -0.000) 5.544 10.162 ( 1.430 -3.037 -0.000) 3.357 10.340 ( 1.764 1.435 -0.000) 2.273 ======================= Grid point 142 (71/75) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.000 0.000 -15.894) 15.894 1.174 ( 0.000 0.000 -16.191) 16.191 1.651 ( 0.000 0.000 -24.018) 24.018 1.656 ( -0.000 -0.000 5.506) 5.506 1.817 ( -0.000 -0.000 0.822) 0.822 1.935 ( -0.000 -0.000 10.103) 10.103 1.996 ( -0.000 -0.000 8.070) 8.070 2.021 ( 0.000 0.000 -3.256) 3.256 2.117 ( -0.000 -0.000 3.919) 3.919 2.384 ( 0.000 0.000 -1.327) 1.327 2.418 ( -0.000 -0.000 0.099) 0.099 2.459 ( 0.000 0.000 -3.391) 3.391 2.598 ( -0.000 -0.000 3.151) 3.151 2.616 ( -0.000 -0.000 2.762) 2.762 2.642 ( -0.000 -0.000 9.360) 9.360 2.647 ( -0.000 -0.000 4.718) 4.718 2.771 ( 0.000 0.000 -3.369) 3.369 2.781 ( 0.000 0.000 -3.561) 3.561 2.962 ( 0.000 0.000 -4.221) 4.221 3.051 ( -0.000 -0.000 0.565) 0.565 3.236 ( 0.000 0.000 -7.056) 7.056 3.254 ( -0.000 -0.000 0.286) 0.286 3.491 ( -0.000 -0.000 3.224) 3.224 3.493 ( 0.000 0.000 -1.062) 1.062 3.674 ( 0.000 0.000 -0.108) 0.108 3.806 ( 0.000 0.000 -2.776) 2.776 4.040 ( -0.000 -0.000 1.076) 1.076 4.291 ( 0.000 0.000 -4.472) 4.472 4.348 ( 0.000 0.000 -1.980) 1.980 4.779 ( 0.000 0.000 -2.017) 2.017 5.023 ( 0.000 0.000 -0.670) 0.670 5.476 ( -0.000 -0.000 2.101) 2.101 5.662 ( -0.000 -0.000 3.970) 3.970 6.526 ( 0.000 0.000 -0.341) 0.341 6.609 ( -0.000 -0.000 1.115) 1.115 6.672 ( 0.000 0.000 -0.927) 0.927 7.953 ( -0.000 -0.000 0.046) 0.046 7.986 ( -0.000 -0.000 0.500) 0.500 8.160 ( 0.000 0.000 -0.893) 0.893 8.420 ( -0.000 -0.000 0.438) 0.438 8.954 ( 0.000 0.000 -0.119) 0.119 9.071 ( 0.000 0.000 -0.232) 0.232 9.075 ( 0.000 0.000 -0.033) 0.033 9.129 ( 0.000 0.000 -5.401) 5.401 9.245 ( -0.000 -0.000 0.069) 0.069 9.250 ( 0.000 0.000 -0.945) 0.945 9.384 ( 0.000 0.000 -5.311) 5.311 9.857 ( 0.000 0.000 -0.600) 0.600 9.873 ( 0.000 0.000 -0.310) 0.310 9.905 ( -0.000 -0.000 1.031) 1.031 9.945 ( -0.000 -0.000 0.308) 0.308 10.107 ( 0.000 0.000 -1.312) 1.312 10.171 ( 0.000 0.000 -0.194) 0.194 10.375 ( -0.000 -0.000 0.519) 0.519 ======================= Grid point 147 (72/75) ======================= q-point: (-0.39 -0.61 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 15.055 0.000 -0.000) 15.055 1.614 ( 8.224 0.000 -0.000) 8.224 1.630 ( -10.525 -0.000 0.000) 10.525 1.678 ( -11.512 -0.000 0.000) 11.512 1.809 ( 2.343 0.000 -0.000) 2.343 2.004 ( -9.843 -0.000 0.000) 9.843 2.035 ( -1.414 -0.000 0.000) 1.414 2.191 ( -5.384 -0.000 0.000) 5.384 2.198 ( 1.820 0.000 -0.000) 1.820 2.387 ( 4.825 0.000 -0.000) 4.825 2.394 ( 1.795 0.000 -0.000) 1.795 2.412 ( -0.858 -0.000 0.000) 0.858 2.476 ( 0.818 0.000 -0.000) 0.818 2.560 ( -7.085 -0.000 0.000) 7.085 2.576 ( 6.796 0.000 -0.000) 6.796 2.658 ( 6.825 0.000 -0.000) 6.825 2.682 ( -6.980 -0.000 0.000) 6.980 2.707 ( 8.679 0.000 -0.000) 8.679 2.822 ( 1.068 0.000 -0.000) 1.068 2.919 ( 3.313 0.000 -0.000) 3.313 3.107 ( 13.169 0.000 -0.000) 13.169 3.120 ( 12.078 0.000 -0.000) 12.078 3.211 ( -1.639 -0.000 0.000) 1.639 3.310 ( -0.753 -0.000 0.000) 0.753 3.395 ( 10.592 0.000 -0.000) 10.592 3.564 ( 4.925 0.000 -0.000) 4.925 4.029 ( 4.449 0.000 -0.000) 4.449 4.128 ( 6.099 0.000 -0.000) 6.099 4.352 ( 1.943 0.000 -0.000) 1.943 4.790 ( 4.531 0.000 -0.000) 4.531 5.193 ( -11.838 -0.000 0.000) 11.838 5.680 ( -3.654 -0.000 0.000) 3.654 5.805 ( -9.733 -0.000 0.000) 9.733 6.285 ( 11.425 0.000 -0.000) 11.425 6.454 ( 3.893 0.000 -0.000) 3.893 6.582 ( 5.074 0.000 -0.000) 5.074 7.885 ( 0.011 0.000 -0.000) 0.011 8.119 ( 0.928 0.000 -0.000) 0.928 8.168 ( -6.173 -0.000 0.000) 6.173 8.553 ( -5.915 -0.000 0.000) 5.915 8.735 ( 9.220 0.000 -0.000) 9.220 8.887 ( 4.597 0.000 -0.000) 4.597 9.032 ( 1.098 0.000 -0.000) 1.098 9.275 ( -3.727 -0.000 0.000) 3.727 9.290 ( -0.686 -0.000 0.000) 0.686 9.365 ( -4.135 -0.000 0.000) 4.135 9.426 ( 1.026 0.000 -0.000) 1.026 9.783 ( 1.191 0.000 -0.000) 1.191 9.801 ( 7.047 0.000 -0.000) 7.047 9.886 ( 1.113 0.000 -0.000) 1.113 10.028 ( 4.525 0.000 -0.000) 4.525 10.051 ( -2.911 -0.000 0.000) 2.911 10.093 ( -0.875 -0.000 0.000) 0.875 10.297 ( 3.367 0.000 -0.000) 3.367 ======================= Grid point 152 (73/75) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.000 -5.898 -0.000) 5.898 1.396 ( 0.000 -5.257 -0.000) 5.257 1.437 ( -0.000 14.058 0.000) 14.058 1.616 ( -0.000 15.542 0.000) 15.542 1.709 ( -0.000 7.114 0.000) 7.114 1.921 ( 0.000 -2.803 -0.000) 2.803 2.099 ( 0.000 -12.406 -0.000) 12.406 2.168 ( 0.000 -7.579 -0.000) 7.579 2.183 ( 0.000 -8.527 -0.000) 8.527 2.400 ( -0.000 1.603 0.000) 1.603 2.412 ( -0.000 0.293 0.000) 0.293 2.468 ( -0.000 1.324 0.000) 1.324 2.523 ( 0.000 -4.947 -0.000) 4.947 2.535 ( -0.000 5.580 0.000) 5.580 2.642 ( 0.000 -1.403 -0.000) 1.403 2.669 ( 0.000 -7.326 -0.000) 7.326 2.761 ( -0.000 4.757 0.000) 4.757 2.766 ( -0.000 8.949 0.000) 8.949 2.812 ( -0.000 8.212 0.000) 8.212 2.992 ( -0.000 2.522 0.000) 2.522 3.337 ( 0.000 -3.345 -0.000) 3.345 3.381 ( -0.000 6.591 0.000) 6.591 3.386 ( 0.000 -7.291 -0.000) 7.291 3.520 ( 0.000 -0.300 -0.000) 0.300 3.617 ( -0.000 5.848 0.000) 5.848 3.778 ( -0.000 5.091 0.000) 5.091 4.014 ( -0.000 1.606 0.000) 1.606 4.246 ( -0.000 3.666 0.000) 3.666 4.556 ( 0.000 -13.732 -0.000) 13.732 4.828 ( 0.000 -2.943 -0.000) 2.943 5.006 ( -0.000 2.464 0.000) 2.464 5.279 ( -0.000 13.068 0.000) 13.068 5.790 ( 0.000 -11.861 -0.000) 11.861 6.515 ( -0.000 2.468 0.000) 2.468 6.601 ( 0.000 -0.191 -0.000) 0.191 6.641 ( -0.000 2.928 0.000) 2.928 7.984 ( 0.000 -0.351 -0.000) 0.351 8.032 ( 0.000 -7.995 -0.000) 7.995 8.126 ( -0.000 3.437 0.000) 3.437 8.490 ( 0.000 -6.694 -0.000) 6.694 8.906 ( -0.000 4.675 0.000) 4.675 8.920 ( -0.000 16.083 0.000) 16.083 9.082 ( 0.000 -0.963 -0.000) 0.963 9.090 ( 0.000 -0.831 -0.000) 0.831 9.253 ( -0.000 0.402 0.000) 0.402 9.414 ( -0.000 2.277 0.000) 2.277 9.472 ( 0.000 -12.304 -0.000) 12.304 9.832 ( -0.000 3.261 0.000) 3.261 9.856 ( -0.000 1.258 0.000) 1.258 9.896 ( -0.000 4.489 0.000) 4.489 9.913 ( 0.000 -1.925 -0.000) 1.925 10.153 ( -0.000 2.007 0.000) 2.007 10.170 ( 0.000 -4.395 -0.000) 4.395 10.358 ( -0.000 1.429 0.000) 1.429 ======================= Grid point 172 (74/75) ======================= q-point: (-0.44 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -11.007 -0.000 0.000) 11.007 1.434 ( -7.645 -0.000 0.000) 7.645 1.529 ( 8.531 0.000 -0.000) 8.531 1.747 ( 4.751 0.000 -0.000) 4.751 1.827 ( -0.438 -0.000 0.000) 0.438 1.854 ( -4.409 -0.000 0.000) 4.409 2.049 ( 2.223 0.000 -0.000) 2.223 2.092 ( -3.486 -0.000 0.000) 3.486 2.108 ( -8.295 -0.000 0.000) 8.295 2.412 ( 0.403 0.000 -0.000) 0.403 2.431 ( -2.710 -0.000 0.000) 2.710 2.473 ( 1.717 0.000 -0.000) 1.717 2.490 ( 0.431 0.000 -0.000) 0.431 2.548 ( 7.059 0.000 -0.000) 7.059 2.574 ( -1.118 -0.000 0.000) 1.118 2.586 ( -1.630 -0.000 0.000) 1.630 2.729 ( 3.563 0.000 -0.000) 3.563 2.860 ( -0.080 -0.000 0.000) 0.080 2.892 ( 5.326 0.000 -0.000) 5.326 3.109 ( 11.792 0.000 -0.000) 11.792 3.148 ( -4.396 -0.000 0.000) 4.396 3.307 ( 0.248 0.000 -0.000) 0.248 3.350 ( 9.377 0.000 -0.000) 9.377 3.384 ( 10.529 0.000 -0.000) 10.529 3.647 ( 2.657 0.000 -0.000) 2.657 3.669 ( 13.170 0.000 -0.000) 13.170 4.055 ( -1.252 -0.000 0.000) 1.252 4.248 ( 5.799 0.000 -0.000) 5.799 4.376 ( -0.019 -0.000 0.000) 0.019 4.921 ( 7.454 0.000 -0.000) 7.454 4.943 ( -11.224 -0.000 0.000) 11.224 5.591 ( -10.041 -0.000 0.000) 10.041 5.633 ( -1.098 -0.000 0.000) 1.098 6.503 ( 8.455 0.000 -0.000) 8.455 6.513 ( 1.696 0.000 -0.000) 1.696 6.657 ( 2.252 0.000 -0.000) 2.252 7.918 ( 2.514 0.000 -0.000) 2.514 8.041 ( -5.170 -0.000 0.000) 5.170 8.150 ( 1.561 0.000 -0.000) 1.561 8.455 ( -3.466 -0.000 0.000) 3.466 8.895 ( 5.662 0.000 -0.000) 5.662 9.008 ( 5.601 0.000 -0.000) 5.601 9.062 ( 1.113 0.000 -0.000) 1.113 9.211 ( -2.453 -0.000 0.000) 2.453 9.245 ( -1.953 -0.000 0.000) 1.953 9.304 ( -2.340 -0.000 0.000) 2.340 9.435 ( 0.026 0.000 -0.000) 0.026 9.835 ( 3.178 0.000 -0.000) 3.178 9.875 ( -0.002 -0.000 0.000) 0.002 9.922 ( 1.731 0.000 -0.000) 1.731 9.955 ( -4.918 -0.000 0.000) 4.918 10.094 ( 1.615 0.000 -0.000) 1.615 10.127 ( 4.068 0.000 -0.000) 4.068 10.352 ( 1.731 0.000 -0.000) 1.731 ======================= Grid point 197 (75/75) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 0.000 -0.000) 0.000 1.345 ( 0.000 -0.000 -0.000) 0.000 1.603 ( 0.000 -0.000 -0.000) 0.000 1.810 ( -0.000 -0.000 -0.000) 0.000 1.818 ( 0.000 -0.000 -0.000) 0.000 1.894 ( -0.000 -0.000 -0.000) 0.000 1.922 ( 0.000 -0.000 -0.000) 0.000 2.055 ( -0.000 0.000 -0.000) 0.000 2.081 ( 0.000 0.000 -0.000) 0.000 2.405 ( -0.000 0.000 -0.000) 0.000 2.417 ( -0.000 -0.000 -0.000) 0.000 2.477 ( -0.000 0.000 -0.000) 0.000 2.494 ( -0.000 -0.000 -0.000) 0.000 2.563 ( -0.000 -0.000 0.000) 0.000 2.586 ( -0.000 0.000 -0.000) 0.000 2.627 ( -0.000 0.000 -0.000) 0.000 2.805 ( -0.000 -0.000 -0.000) 0.000 2.814 ( 0.000 -0.000 -0.000) 0.000 3.011 ( -0.000 0.000 -0.000) 0.000 3.045 ( 0.000 0.000 -0.000) 0.000 3.250 ( 0.000 0.000 -0.000) 0.000 3.302 ( 0.000 0.000 -0.000) 0.000 3.459 ( 0.000 0.000 -0.000) 0.000 3.502 ( 0.000 0.000 -0.000) 0.000 3.673 ( -0.000 0.000 -0.000) 0.000 3.832 ( -0.000 0.000 -0.000) 0.000 4.029 ( 0.000 0.000 -0.000) 0.000 4.333 ( 0.000 0.000 -0.000) 0.000 4.366 ( 0.000 0.000 -0.000) 0.000 4.798 ( -0.000 0.000 -0.000) 0.000 5.029 ( -0.000 0.000 -0.000) 0.000 5.456 ( 0.000 -0.000 -0.000) 0.000 5.623 ( 0.000 -0.000 -0.000) 0.000 6.529 ( 0.000 -0.000 -0.000) 0.000 6.599 ( -0.000 0.000 -0.000) 0.000 6.680 ( 0.000 0.000 -0.000) 0.000 7.953 ( -0.000 -0.000 -0.000) 0.000 7.981 ( -0.000 0.000 -0.000) 0.000 8.169 ( -0.000 -0.000 -0.000) 0.000 8.416 ( -0.000 0.000 -0.000) 0.000 8.955 ( -0.000 -0.000 -0.000) 0.000 9.073 ( 0.000 -0.000 -0.000) 0.000 9.075 ( -0.000 -0.000 -0.000) 0.000 9.181 ( -0.000 -0.000 -0.000) 0.000 9.244 ( 0.000 -0.000 -0.000) 0.000 9.259 ( 0.000 -0.000 -0.000) 0.000 9.434 ( -0.000 -0.000 -0.000) 0.000 9.863 ( -0.000 -0.000 -0.000) 0.000 9.876 ( -0.000 0.000 -0.000) 0.000 9.895 ( -0.000 0.000 -0.000) 0.000 9.942 ( 0.000 0.000 -0.000) 0.000 10.121 ( 0.000 -0.000 -0.000) 0.000 10.172 ( -0.000 -0.000 -0.000) 0.000 10.370 ( 0.000 -0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/19440 10.0 147.788 154.980 155.963 0.000 -0.000 0.000 3/19440 20.0 28.973 28.039 22.730 0.000 -0.000 0.000 3/19440 30.0 14.580 13.947 10.525 0.000 -0.000 0.000 3/19440 40.0 10.050 9.414 6.941 0.000 -0.000 0.000 3/19440 50.0 7.854 7.202 5.241 0.000 -0.000 0.000 3/19440 60.0 6.530 5.889 4.231 0.000 -0.000 0.000 3/19440 70.0 5.629 5.019 3.555 0.000 -0.000 0.000 3/19440 80.0 4.970 4.399 3.068 0.000 -0.000 0.000 3/19440 90.0 4.463 3.933 2.701 0.000 -0.000 0.000 3/19440 100.0 4.059 3.567 2.414 0.000 -0.000 0.000 3/19440 110.0 3.728 3.271 2.183 0.000 -0.000 0.000 3/19440 120.0 3.451 3.025 1.994 0.000 -0.000 0.000 3/19440 130.0 3.214 2.816 1.835 0.000 -0.000 0.000 3/19440 140.0 3.010 2.636 1.701 0.000 -0.000 0.000 3/19440 150.0 2.831 2.479 1.585 0.000 -0.000 0.000 3/19440 160.0 2.672 2.340 1.484 0.000 -0.000 0.000 3/19440 170.0 2.531 2.216 1.396 0.000 -0.000 0.000 3/19440 180.0 2.404 2.105 1.317 0.000 -0.000 0.000 3/19440 190.0 2.289 2.004 1.247 0.000 -0.000 0.000 3/19440 200.0 2.185 1.913 1.185 0.000 -0.000 0.000 3/19440 210.0 2.089 1.830 1.128 0.000 -0.000 0.000 3/19440 220.0 2.002 1.753 1.077 0.000 -0.000 0.000 3/19440 230.0 1.922 1.683 1.030 0.000 -0.000 0.000 3/19440 240.0 1.848 1.618 0.987 0.000 -0.000 0.000 3/19440 250.0 1.779 1.558 0.948 0.000 -0.000 0.000 3/19440 260.0 1.715 1.502 0.911 0.000 -0.000 0.000 3/19440 270.0 1.656 1.450 0.877 0.000 -0.000 0.000 3/19440 280.0 1.601 1.402 0.846 0.000 -0.000 0.000 3/19440 290.0 1.549 1.356 0.817 0.000 -0.000 0.000 3/19440 300.0 1.500 1.314 0.790 0.000 -0.000 0.000 3/19440 310.0 1.454 1.273 0.765 0.000 -0.000 0.000 3/19440 320.0 1.411 1.236 0.741 0.000 -0.000 0.000 3/19440 330.0 1.371 1.200 0.718 0.000 -0.000 0.000 3/19440 340.0 1.332 1.167 0.697 0.000 -0.000 0.000 3/19440 350.0 1.296 1.135 0.678 0.000 -0.000 0.000 3/19440 360.0 1.262 1.105 0.659 0.000 -0.000 0.000 3/19440 370.0 1.229 1.076 0.641 0.000 -0.000 0.000 3/19440 380.0 1.198 1.049 0.624 0.000 -0.000 0.000 3/19440 390.0 1.169 1.023 0.608 0.000 -0.000 0.000 3/19440 400.0 1.140 0.998 0.593 0.000 -0.000 0.000 3/19440 410.0 1.114 0.975 0.579 0.000 -0.000 0.000 3/19440 420.0 1.088 0.952 0.565 0.000 -0.000 0.000 3/19440 430.0 1.064 0.931 0.552 0.000 -0.000 0.000 3/19440 440.0 1.040 0.911 0.540 0.000 -0.000 0.000 3/19440 450.0 1.018 0.891 0.528 0.000 -0.000 0.000 3/19440 460.0 0.997 0.872 0.516 0.000 -0.000 0.000 3/19440 470.0 0.976 0.854 0.505 0.000 -0.000 0.000 3/19440 480.0 0.956 0.837 0.495 0.000 -0.000 0.000 3/19440 490.0 0.937 0.820 0.485 0.000 -0.000 0.000 3/19440 500.0 0.919 0.804 0.475 0.000 -0.000 0.000 3/19440 510.0 0.902 0.789 0.466 0.000 -0.000 0.000 3/19440 520.0 0.885 0.774 0.457 0.000 -0.000 0.000 3/19440 530.0 0.869 0.760 0.448 0.000 -0.000 0.000 3/19440 540.0 0.853 0.746 0.440 0.000 -0.000 0.000 3/19440 550.0 0.838 0.733 0.432 0.000 -0.000 0.000 3/19440 560.0 0.823 0.720 0.425 0.000 -0.000 0.000 3/19440 570.0 0.809 0.708 0.417 0.000 -0.000 0.000 3/19440 580.0 0.795 0.696 0.410 0.000 -0.000 0.000 3/19440 590.0 0.782 0.684 0.403 0.000 -0.000 0.000 3/19440 600.0 0.770 0.673 0.396 0.000 -0.000 0.000 3/19440 610.0 0.757 0.662 0.390 0.000 -0.000 0.000 3/19440 620.0 0.745 0.652 0.384 0.000 -0.000 0.000 3/19440 630.0 0.734 0.642 0.378 0.000 -0.000 0.000 3/19440 640.0 0.722 0.632 0.372 0.000 -0.000 0.000 3/19440 650.0 0.712 0.622 0.366 0.000 -0.000 0.000 3/19440 660.0 0.701 0.613 0.361 0.000 -0.000 0.000 3/19440 670.0 0.691 0.604 0.355 0.000 -0.000 0.000 3/19440 680.0 0.681 0.595 0.350 0.000 -0.000 0.000 3/19440 690.0 0.671 0.587 0.345 0.000 -0.000 0.000 3/19440 700.0 0.662 0.579 0.340 0.000 -0.000 0.000 3/19440 710.0 0.652 0.571 0.335 0.000 -0.000 0.000 3/19440 720.0 0.644 0.563 0.331 0.000 -0.000 0.000 3/19440 730.0 0.635 0.555 0.326 0.000 -0.000 0.000 3/19440 740.0 0.626 0.548 0.322 0.000 -0.000 0.000 3/19440 750.0 0.618 0.541 0.317 0.000 -0.000 0.000 3/19440 760.0 0.610 0.534 0.313 0.000 -0.000 0.000 3/19440 770.0 0.602 0.527 0.309 0.000 -0.000 0.000 3/19440 780.0 0.595 0.520 0.305 0.000 -0.000 0.000 3/19440 790.0 0.587 0.514 0.301 0.000 -0.000 0.000 3/19440 800.0 0.580 0.507 0.298 0.000 -0.000 0.000 3/19440 810.0 0.573 0.501 0.294 0.000 -0.000 0.000 3/19440 820.0 0.566 0.495 0.290 0.000 -0.000 0.000 3/19440 830.0 0.560 0.489 0.287 0.000 -0.000 0.000 3/19440 840.0 0.553 0.483 0.284 0.000 -0.000 0.000 3/19440 850.0 0.547 0.478 0.280 0.000 -0.000 0.000 3/19440 860.0 0.540 0.472 0.277 0.000 -0.000 0.000 3/19440 870.0 0.534 0.467 0.274 0.000 -0.000 0.000 3/19440 880.0 0.528 0.462 0.271 0.000 -0.000 0.000 3/19440 890.0 0.522 0.457 0.268 0.000 -0.000 0.000 3/19440 900.0 0.517 0.452 0.265 0.000 -0.000 0.000 3/19440 910.0 0.511 0.447 0.262 0.000 -0.000 0.000 3/19440 920.0 0.505 0.442 0.259 0.000 -0.000 0.000 3/19440 930.0 0.500 0.437 0.256 0.000 -0.000 0.000 3/19440 940.0 0.495 0.433 0.254 0.000 -0.000 0.000 3/19440 950.0 0.490 0.428 0.251 0.000 -0.000 0.000 3/19440 960.0 0.485 0.424 0.248 0.000 -0.000 0.000 3/19440 970.0 0.480 0.419 0.246 0.000 -0.000 0.000 3/19440 980.0 0.475 0.415 0.243 0.000 -0.000 0.000 3/19440 990.0 0.470 0.411 0.241 0.000 -0.000 0.000 3/19440 1000.0 0.465 0.407 0.238 0.000 -0.000 0.000 3/19440 Thermal conductivity related properties were written into "kappa-m11360.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:01:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|