----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:30:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.689258130000000 3.811748914999999 5.241002315000000 b 3.689258130000000 -3.811748914999999 5.241002315000000 c 3.689258130000000 3.811748914999999 -5.241002315000000 Atomic positions (fractional): *1 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 2 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 *3 Cl 0.72631477635689 0.74520767734148 0.98110709901540 35.453 *4 Cl 0.25395719450909 0.25651160801344 0.50255441350435 35.453 5 Cl 0.26410057832608 0.74520767734148 0.51889290098460 35.453 6 Cl 0.25395719450909 0.75140278100475 0.99744558649565 35.453 7 Cl 0.74604280549090 0.24859721899525 0.00255441350435 35.453 8 Cl 0.73589942167392 0.25479232265852 0.48110709901540 35.453 9 Cl 0.74604280549090 0.74348839198656 0.49744558649565 35.453 10 Cl 0.27368522364312 0.25479232265852 0.01889290098460 35.453 *11 Li 0.10780550955824 0.85780550955824 0.25000000000000 6.941 *12 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 13 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 14 Li 0.89219449044176 0.14219449044176 0.75000000000000 6.941 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.378516260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.623497829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.482004630000000 Atomic positions (fractional): *1 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 1 2 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 2 3 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 4 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 2 *5 Cl 0.50000000000000 0.48110709901540 0.24520767734148 35.453 > 3 *6 Cl 0.25255441350435 0.25000000000000 0.00395719450910 35.453 > 4 7 Cl 0.00000000000000 0.51889290098460 0.74520767734148 35.453 > 5 8 Cl 0.74744558649565 0.25000000000000 0.00395719450910 35.453 > 6 9 Cl 0.25255441350435 0.75000000000000 0.99604280549090 35.453 > 7 10 Cl 0.00000000000000 0.48110709901540 0.25479232265852 35.453 > 8 11 Cl 0.74744558649565 0.75000000000000 0.99604280549090 35.453 > 9 12 Cl 0.50000000000000 0.51889290098460 0.75479232265852 35.453 > 10 13 Cl 0.00000000000000 0.98110709901540 0.74520767734148 35.453 > 3 14 Cl 0.75255441350435 0.75000000000000 0.50395719450910 35.453 > 4 15 Cl 0.50000000000000 0.01889290098460 0.24520767734148 35.453 > 5 16 Cl 0.24744558649565 0.75000000000000 0.50395719450910 35.453 > 6 17 Cl 0.75255441350435 0.25000000000000 0.49604280549090 35.453 > 7 18 Cl 0.50000000000000 0.98110709901540 0.75479232265852 35.453 > 8 19 Cl 0.24744558649565 0.25000000000000 0.49604280549090 35.453 > 9 20 Cl 0.00000000000000 0.01889290098460 0.25479232265852 35.453 > 10 *21 Li 0.00000000000000 0.25000000000000 0.85780550955824 6.941 > 11 *22 Li 0.75000000000000 0.75000000000000 0.75000000000000 6.941 > 12 23 Li 0.25000000000000 0.75000000000000 0.75000000000000 6.941 > 13 24 Li 0.00000000000000 0.75000000000000 0.14219449044176 6.941 > 14 25 Li 0.50000000000000 0.75000000000000 0.35780550955824 6.941 > 11 26 Li 0.25000000000000 0.25000000000000 0.25000000000000 6.941 > 12 27 Li 0.75000000000000 0.25000000000000 0.25000000000000 6.941 > 13 28 Li 0.50000000000000 0.25000000000000 0.64219449044176 6.941 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.757032519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.246995659999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.482004630000000 Atomic positions (fractional): *1 Cd 0.25000000000000 0.25000000000000 0.00000000000000 112.411 > 1 2 Cd 0.75000000000000 0.25000000000000 0.00000000000000 112.411 > 1 3 Cd 0.25000000000000 0.75000000000000 0.00000000000000 112.411 > 1 4 Cd 0.75000000000000 0.75000000000000 0.00000000000000 112.411 > 1 5 Cd 0.25000000000000 0.00000000000000 0.00000000000000 112.411 > 2 6 Cd 0.75000000000000 0.00000000000000 0.00000000000000 112.411 > 2 7 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 2 8 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 2 9 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 10 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 1 11 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 1 12 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 1 13 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 2 14 Cd 0.50000000000000 0.25000000000000 0.50000000000000 112.411 > 2 15 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 2 16 Cd 0.50000000000000 0.75000000000000 0.50000000000000 112.411 > 2 *17 Cl 0.25000000000000 0.24055354950770 0.24520767734148 35.453 > 3 18 Cl 0.75000000000000 0.24055354950770 0.24520767734148 35.453 > 3 19 Cl 0.25000000000000 0.74055354950770 0.24520767734148 35.453 > 3 20 Cl 0.75000000000000 0.74055354950770 0.24520767734148 35.453 > 3 *21 Cl 0.12627720675217 0.12500000000000 0.00395719450910 35.453 > 4 22 Cl 0.62627720675217 0.12500000000000 0.00395719450910 35.453 > 4 23 Cl 0.12627720675217 0.62500000000000 0.00395719450910 35.453 > 4 24 Cl 0.62627720675217 0.62500000000000 0.00395719450910 35.453 > 4 25 Cl 0.00000000000000 0.25944645049230 0.74520767734148 35.453 > 5 26 Cl 0.50000000000000 0.25944645049230 0.74520767734148 35.453 > 5 27 Cl 0.00000000000000 0.75944645049230 0.74520767734148 35.453 > 5 28 Cl 0.50000000000000 0.75944645049230 0.74520767734148 35.453 > 5 29 Cl 0.37372279324783 0.12500000000000 0.00395719450910 35.453 > 6 30 Cl 0.87372279324783 0.12500000000000 0.00395719450910 35.453 > 6 31 Cl 0.37372279324783 0.62500000000000 0.00395719450910 35.453 > 6 32 Cl 0.87372279324783 0.62500000000000 0.00395719450910 35.453 > 6 33 Cl 0.12627720675217 0.37500000000000 0.99604280549090 35.453 > 7 34 Cl 0.62627720675217 0.37500000000000 0.99604280549090 35.453 > 7 35 Cl 0.12627720675217 0.87500000000000 0.99604280549090 35.453 > 7 36 Cl 0.62627720675217 0.87500000000000 0.99604280549090 35.453 > 7 37 Cl 0.00000000000000 0.24055354950770 0.25479232265852 35.453 > 8 38 Cl 0.50000000000000 0.24055354950770 0.25479232265852 35.453 > 8 39 Cl 0.00000000000000 0.74055354950770 0.25479232265852 35.453 > 8 40 Cl 0.50000000000000 0.74055354950770 0.25479232265852 35.453 > 8 41 Cl 0.37372279324783 0.37500000000000 0.99604280549090 35.453 > 9 42 Cl 0.87372279324783 0.37500000000000 0.99604280549090 35.453 > 9 43 Cl 0.37372279324783 0.87500000000000 0.99604280549090 35.453 > 9 44 Cl 0.87372279324783 0.87500000000000 0.99604280549090 35.453 > 9 45 Cl 0.25000000000000 0.25944645049230 0.75479232265852 35.453 > 10 46 Cl 0.75000000000000 0.25944645049230 0.75479232265852 35.453 > 10 47 Cl 0.25000000000000 0.75944645049230 0.75479232265852 35.453 > 10 48 Cl 0.75000000000000 0.75944645049230 0.75479232265852 35.453 > 10 49 Cl 0.00000000000000 0.49055354950770 0.74520767734148 35.453 > 3 50 Cl 0.50000000000000 0.49055354950770 0.74520767734148 35.453 > 3 51 Cl 0.00000000000000 0.99055354950770 0.74520767734148 35.453 > 3 52 Cl 0.50000000000000 0.99055354950770 0.74520767734148 35.453 > 3 53 Cl 0.37627720675217 0.37500000000000 0.50395719450910 35.453 > 4 54 Cl 0.87627720675217 0.37500000000000 0.50395719450910 35.453 > 4 55 Cl 0.37627720675217 0.87500000000000 0.50395719450910 35.453 > 4 56 Cl 0.87627720675217 0.87500000000000 0.50395719450910 35.453 > 4 57 Cl 0.25000000000000 0.00944645049230 0.24520767734148 35.453 > 5 58 Cl 0.75000000000000 0.00944645049230 0.24520767734148 35.453 > 5 59 Cl 0.25000000000000 0.50944645049230 0.24520767734148 35.453 > 5 60 Cl 0.75000000000000 0.50944645049230 0.24520767734148 35.453 > 5 61 Cl 0.12372279324783 0.37500000000000 0.50395719450910 35.453 > 6 62 Cl 0.62372279324783 0.37500000000000 0.50395719450910 35.453 > 6 63 Cl 0.12372279324783 0.87500000000000 0.50395719450910 35.453 > 6 64 Cl 0.62372279324783 0.87500000000000 0.50395719450910 35.453 > 6 65 Cl 0.37627720675217 0.12500000000000 0.49604280549090 35.453 > 7 66 Cl 0.87627720675217 0.12500000000000 0.49604280549090 35.453 > 7 67 Cl 0.37627720675217 0.62500000000000 0.49604280549090 35.453 > 7 68 Cl 0.87627720675217 0.62500000000000 0.49604280549090 35.453 > 7 69 Cl 0.25000000000000 0.49055354950770 0.75479232265852 35.453 > 8 70 Cl 0.75000000000000 0.49055354950770 0.75479232265852 35.453 > 8 71 Cl 0.25000000000000 0.99055354950770 0.75479232265852 35.453 > 8 72 Cl 0.75000000000000 0.99055354950770 0.75479232265852 35.453 > 8 73 Cl 0.12372279324783 0.12500000000000 0.49604280549090 35.453 > 9 74 Cl 0.62372279324783 0.12500000000000 0.49604280549090 35.453 > 9 75 Cl 0.12372279324783 0.62500000000000 0.49604280549090 35.453 > 9 76 Cl 0.62372279324783 0.62500000000000 0.49604280549090 35.453 > 9 77 Cl 0.00000000000000 0.00944645049230 0.25479232265852 35.453 > 10 78 Cl 0.50000000000000 0.00944645049230 0.25479232265852 35.453 > 10 79 Cl 0.00000000000000 0.50944645049230 0.25479232265852 35.453 > 10 80 Cl 0.50000000000000 0.50944645049230 0.25479232265852 35.453 > 10 *81 Li 0.00000000000000 0.12500000000000 0.85780550955824 6.941 > 11 82 Li 0.50000000000000 0.12500000000000 0.85780550955824 6.941 > 11 83 Li 0.00000000000000 0.62500000000000 0.85780550955824 6.941 > 11 84 Li 0.50000000000000 0.62500000000000 0.85780550955824 6.941 > 11 *85 Li 0.37500000000000 0.37500000000000 0.75000000000000 6.941 > 12 86 Li 0.87500000000000 0.37500000000000 0.75000000000000 6.941 > 12 87 Li 0.37500000000000 0.87500000000000 0.75000000000000 6.941 > 12 88 Li 0.87500000000000 0.87500000000000 0.75000000000000 6.941 > 12 89 Li 0.12500000000000 0.37500000000000 0.75000000000000 6.941 > 13 90 Li 0.62500000000000 0.37500000000000 0.75000000000000 6.941 > 13 91 Li 0.12500000000000 0.87500000000000 0.75000000000000 6.941 > 13 92 Li 0.62500000000000 0.87500000000000 0.75000000000000 6.941 > 13 93 Li 0.00000000000000 0.37500000000000 0.14219449044176 6.941 > 14 94 Li 0.50000000000000 0.37500000000000 0.14219449044176 6.941 > 14 95 Li 0.00000000000000 0.87500000000000 0.14219449044176 6.941 > 14 96 Li 0.50000000000000 0.87500000000000 0.14219449044176 6.941 > 14 97 Li 0.25000000000000 0.37500000000000 0.35780550955824 6.941 > 11 98 Li 0.75000000000000 0.37500000000000 0.35780550955824 6.941 > 11 99 Li 0.25000000000000 0.87500000000000 0.35780550955824 6.941 > 11 100 Li 0.75000000000000 0.87500000000000 0.35780550955824 6.941 > 11 101 Li 0.12500000000000 0.12500000000000 0.25000000000000 6.941 > 12 102 Li 0.62500000000000 0.12500000000000 0.25000000000000 6.941 > 12 103 Li 0.12500000000000 0.62500000000000 0.25000000000000 6.941 > 12 104 Li 0.62500000000000 0.62500000000000 0.25000000000000 6.941 > 12 105 Li 0.37500000000000 0.12500000000000 0.25000000000000 6.941 > 13 106 Li 0.87500000000000 0.12500000000000 0.25000000000000 6.941 > 13 107 Li 0.37500000000000 0.62500000000000 0.25000000000000 6.941 > 13 108 Li 0.87500000000000 0.62500000000000 0.25000000000000 6.941 > 13 109 Li 0.25000000000000 0.12500000000000 0.64219449044176 6.941 > 14 110 Li 0.75000000000000 0.12500000000000 0.64219449044176 6.941 > 14 111 Li 0.25000000000000 0.62500000000000 0.64219449044176 6.941 > 14 112 Li 0.75000000000000 0.62500000000000 0.64219449044176 6.941 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0674492 0.0000000 0.0000000 0.0000000 3.2202759 0.0000000 0.0000000 0.0000000 3.1657581 -------------------------- Born effective charges -------------------------- 1 Cd 1.9280268 0.0000000 0.0000000 0.0000000 2.5825701 -0.1565084 0.0000000 -0.1482990 2.2507404 2 Cd 1.9280268 0.0000000 0.0000000 0.0000000 2.5825701 0.1565084 0.0000000 0.1482990 2.2507404 3 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 -0.0892872 0.0000000 -0.1074271 -1.3030965 4 Cl -1.2805287 0.0000000 -0.1487945 0.0000000 -1.2660760 0.0000000 -0.1284975 0.0000000 -0.9672559 5 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 0.0892872 0.0000000 0.1074271 -1.3030965 6 Cl -1.2805287 0.0000000 0.1487945 0.0000000 -1.2660760 0.0000000 0.1284975 0.0000000 -0.9672559 7 Cl -1.2805287 0.0000000 0.1487945 0.0000000 -1.2660760 0.0000000 0.1284975 0.0000000 -0.9672559 8 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 0.0892872 0.0000000 0.1074271 -1.3030965 9 Cl -1.2805287 0.0000000 -0.1487945 0.0000000 -1.2660760 0.0000000 -0.1284975 0.0000000 -0.9672559 10 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 -0.0892872 0.0000000 -0.1074271 -1.3030965 11 Li 1.2014110 0.0000000 0.0000000 0.0000000 1.1008283 0.0000000 0.0000000 0.0000000 1.1600979 12 Li 1.1924843 0.0000000 -0.2067959 0.0000000 1.1021245 0.0000000 -0.2575164 0.0000000 1.1298665 13 Li 1.1924843 0.0000000 0.2067959 0.0000000 1.1021245 0.0000000 0.2575164 0.0000000 1.1298665 14 Li 1.2014110 0.0000000 0.0000000 0.0000000 1.1008283 0.0000000 0.0000000 0.0000000 1.1600979 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 240 - Time: 0.344 Solver_block: 200 / 240 - Time: 0.351 Solver_block: 240 / 240 - Time: 0.197 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.913 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1020 Number of blocks in projector: 1020 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: 197 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 197 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 131 Use standard eigh solver. Tree of FC basis block matrices: - (1020, 997), data: False |-- (131, 131), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (165, 160), data: True |-- (197, 193), data: True |-- (197, 193), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:31:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:31:01]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.689258130000000 3.811748914999999 5.241002315000000 b 3.689258130000000 -3.811748914999999 5.241002315000000 c 3.689258130000000 3.811748914999999 -5.241002315000000 Atomic positions (fractional): 1 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 2 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 3 Cl 0.72631477635689 0.74520767734148 0.98110709901540 35.453 4 Cl 0.25395719450909 0.25651160801344 0.50255441350435 35.453 5 Cl 0.26410057832608 0.74520767734148 0.51889290098460 35.453 6 Cl 0.25395719450909 0.75140278100475 0.99744558649565 35.453 7 Cl 0.74604280549090 0.24859721899525 0.00255441350435 35.453 8 Cl 0.73589942167392 0.25479232265852 0.48110709901540 35.453 9 Cl 0.74604280549090 0.74348839198656 0.49744558649565 35.453 10 Cl 0.27368522364312 0.25479232265852 0.01889290098460 35.453 11 Li 0.10780550955824 0.85780550955824 0.25000000000000 6.941 12 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 13 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 14 Li 0.89219449044176 0.14219449044176 0.75000000000000 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.757032519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.246995659999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.482004630000000 Atomic positions (fractional): 1 Cd 0.25000000000000 0.25000000000000 0.00000000000000 112.411 > 1 2 Cd 0.75000000000000 0.25000000000000 0.00000000000000 112.411 > 1 3 Cd 0.25000000000000 0.75000000000000 0.00000000000000 112.411 > 1 4 Cd 0.75000000000000 0.75000000000000 0.00000000000000 112.411 > 1 5 Cd 0.25000000000000 0.00000000000000 0.00000000000000 112.411 > 5 6 Cd 0.75000000000000 0.00000000000000 0.00000000000000 112.411 > 5 7 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 5 8 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 5 9 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 10 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 1 11 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 1 12 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 1 13 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 5 14 Cd 0.50000000000000 0.25000000000000 0.50000000000000 112.411 > 5 15 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 5 16 Cd 0.50000000000000 0.75000000000000 0.50000000000000 112.411 > 5 17 Cl 0.25000000000000 0.24055354950770 0.24520767734148 35.453 > 17 18 Cl 0.75000000000000 0.24055354950770 0.24520767734148 35.453 > 17 19 Cl 0.25000000000000 0.74055354950770 0.24520767734148 35.453 > 17 20 Cl 0.75000000000000 0.74055354950770 0.24520767734148 35.453 > 17 21 Cl 0.12627720675217 0.12500000000000 0.00395719450910 35.453 > 21 22 Cl 0.62627720675217 0.12500000000000 0.00395719450910 35.453 > 21 23 Cl 0.12627720675217 0.62500000000000 0.00395719450910 35.453 > 21 24 Cl 0.62627720675217 0.62500000000000 0.00395719450910 35.453 > 21 25 Cl 0.00000000000000 0.25944645049230 0.74520767734148 35.453 > 25 26 Cl 0.50000000000000 0.25944645049230 0.74520767734148 35.453 > 25 27 Cl 0.00000000000000 0.75944645049230 0.74520767734148 35.453 > 25 28 Cl 0.50000000000000 0.75944645049230 0.74520767734148 35.453 > 25 29 Cl 0.37372279324783 0.12500000000000 0.00395719450910 35.453 > 29 30 Cl 0.87372279324783 0.12500000000000 0.00395719450910 35.453 > 29 31 Cl 0.37372279324783 0.62500000000000 0.00395719450910 35.453 > 29 32 Cl 0.87372279324783 0.62500000000000 0.00395719450910 35.453 > 29 33 Cl 0.12627720675217 0.37500000000000 0.99604280549090 35.453 > 33 34 Cl 0.62627720675217 0.37500000000000 0.99604280549090 35.453 > 33 35 Cl 0.12627720675217 0.87500000000000 0.99604280549090 35.453 > 33 36 Cl 0.62627720675217 0.87500000000000 0.99604280549090 35.453 > 33 37 Cl 0.00000000000000 0.24055354950770 0.25479232265852 35.453 > 37 38 Cl 0.50000000000000 0.24055354950770 0.25479232265852 35.453 > 37 39 Cl 0.00000000000000 0.74055354950770 0.25479232265852 35.453 > 37 40 Cl 0.50000000000000 0.74055354950770 0.25479232265852 35.453 > 37 41 Cl 0.37372279324783 0.37500000000000 0.99604280549090 35.453 > 41 42 Cl 0.87372279324783 0.37500000000000 0.99604280549090 35.453 > 41 43 Cl 0.37372279324783 0.87500000000000 0.99604280549090 35.453 > 41 44 Cl 0.87372279324783 0.87500000000000 0.99604280549090 35.453 > 41 45 Cl 0.25000000000000 0.25944645049230 0.75479232265852 35.453 > 45 46 Cl 0.75000000000000 0.25944645049230 0.75479232265852 35.453 > 45 47 Cl 0.25000000000000 0.75944645049230 0.75479232265852 35.453 > 45 48 Cl 0.75000000000000 0.75944645049230 0.75479232265852 35.453 > 45 49 Cl 0.00000000000000 0.49055354950770 0.74520767734148 35.453 > 17 50 Cl 0.50000000000000 0.49055354950770 0.74520767734148 35.453 > 17 51 Cl 0.00000000000000 0.99055354950770 0.74520767734148 35.453 > 17 52 Cl 0.50000000000000 0.99055354950770 0.74520767734148 35.453 > 17 53 Cl 0.37627720675217 0.37500000000000 0.50395719450910 35.453 > 21 54 Cl 0.87627720675217 0.37500000000000 0.50395719450910 35.453 > 21 55 Cl 0.37627720675217 0.87500000000000 0.50395719450910 35.453 > 21 56 Cl 0.87627720675217 0.87500000000000 0.50395719450910 35.453 > 21 57 Cl 0.25000000000000 0.00944645049230 0.24520767734148 35.453 > 25 58 Cl 0.75000000000000 0.00944645049230 0.24520767734148 35.453 > 25 59 Cl 0.25000000000000 0.50944645049230 0.24520767734148 35.453 > 25 60 Cl 0.75000000000000 0.50944645049230 0.24520767734148 35.453 > 25 61 Cl 0.12372279324783 0.37500000000000 0.50395719450910 35.453 > 29 62 Cl 0.62372279324783 0.37500000000000 0.50395719450910 35.453 > 29 63 Cl 0.12372279324783 0.87500000000000 0.50395719450910 35.453 > 29 64 Cl 0.62372279324783 0.87500000000000 0.50395719450910 35.453 > 29 65 Cl 0.37627720675217 0.12500000000000 0.49604280549090 35.453 > 33 66 Cl 0.87627720675217 0.12500000000000 0.49604280549090 35.453 > 33 67 Cl 0.37627720675217 0.62500000000000 0.49604280549090 35.453 > 33 68 Cl 0.87627720675217 0.62500000000000 0.49604280549090 35.453 > 33 69 Cl 0.25000000000000 0.49055354950770 0.75479232265852 35.453 > 37 70 Cl 0.75000000000000 0.49055354950770 0.75479232265852 35.453 > 37 71 Cl 0.25000000000000 0.99055354950770 0.75479232265852 35.453 > 37 72 Cl 0.75000000000000 0.99055354950770 0.75479232265852 35.453 > 37 73 Cl 0.12372279324783 0.12500000000000 0.49604280549090 35.453 > 41 74 Cl 0.62372279324783 0.12500000000000 0.49604280549090 35.453 > 41 75 Cl 0.12372279324783 0.62500000000000 0.49604280549090 35.453 > 41 76 Cl 0.62372279324783 0.62500000000000 0.49604280549090 35.453 > 41 77 Cl 0.00000000000000 0.00944645049230 0.25479232265852 35.453 > 45 78 Cl 0.50000000000000 0.00944645049230 0.25479232265852 35.453 > 45 79 Cl 0.00000000000000 0.50944645049230 0.25479232265852 35.453 > 45 80 Cl 0.50000000000000 0.50944645049230 0.25479232265852 35.453 > 45 81 Li 0.00000000000000 0.12500000000000 0.85780550955824 6.941 > 81 82 Li 0.50000000000000 0.12500000000000 0.85780550955824 6.941 > 81 83 Li 0.00000000000000 0.62500000000000 0.85780550955824 6.941 > 81 84 Li 0.50000000000000 0.62500000000000 0.85780550955824 6.941 > 81 85 Li 0.37500000000000 0.37500000000000 0.75000000000000 6.941 > 85 86 Li 0.87500000000000 0.37500000000000 0.75000000000000 6.941 > 85 87 Li 0.37500000000000 0.87500000000000 0.75000000000000 6.941 > 85 88 Li 0.87500000000000 0.87500000000000 0.75000000000000 6.941 > 85 89 Li 0.12500000000000 0.37500000000000 0.75000000000000 6.941 > 89 90 Li 0.62500000000000 0.37500000000000 0.75000000000000 6.941 > 89 91 Li 0.12500000000000 0.87500000000000 0.75000000000000 6.941 > 89 92 Li 0.62500000000000 0.87500000000000 0.75000000000000 6.941 > 89 93 Li 0.00000000000000 0.37500000000000 0.14219449044176 6.941 > 93 94 Li 0.50000000000000 0.37500000000000 0.14219449044176 6.941 > 93 95 Li 0.00000000000000 0.87500000000000 0.14219449044176 6.941 > 93 96 Li 0.50000000000000 0.87500000000000 0.14219449044176 6.941 > 93 97 Li 0.25000000000000 0.37500000000000 0.35780550955824 6.941 > 81 98 Li 0.75000000000000 0.37500000000000 0.35780550955824 6.941 > 81 99 Li 0.25000000000000 0.87500000000000 0.35780550955824 6.941 > 81 100 Li 0.75000000000000 0.87500000000000 0.35780550955824 6.941 > 81 101 Li 0.12500000000000 0.12500000000000 0.25000000000000 6.941 > 85 102 Li 0.62500000000000 0.12500000000000 0.25000000000000 6.941 > 85 103 Li 0.12500000000000 0.62500000000000 0.25000000000000 6.941 > 85 104 Li 0.62500000000000 0.62500000000000 0.25000000000000 6.941 > 85 105 Li 0.37500000000000 0.12500000000000 0.25000000000000 6.941 > 89 106 Li 0.87500000000000 0.12500000000000 0.25000000000000 6.941 > 89 107 Li 0.37500000000000 0.62500000000000 0.25000000000000 6.941 > 89 108 Li 0.87500000000000 0.62500000000000 0.25000000000000 6.941 > 89 109 Li 0.25000000000000 0.12500000000000 0.64219449044176 6.941 > 93 110 Li 0.75000000000000 0.12500000000000 0.64219449044176 6.941 > 93 111 Li 0.25000000000000 0.62500000000000 0.64219449044176 6.941 > 93 112 Li 0.75000000000000 0.62500000000000 0.64219449044176 6.941 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0674492 0.0000000 0.0000000 0.0000000 3.2202759 0.0000000 0.0000000 0.0000000 3.1657581 -------------------------- Born effective charges -------------------------- 1 Cd 1.9280268 0.0000000 0.0000000 0.0000000 2.5825701 -0.1565084 0.0000000 -0.1482990 2.2507404 2 Cd 1.9280268 0.0000000 0.0000000 0.0000000 2.5825701 0.1565084 0.0000000 0.1482990 2.2507404 3 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 -0.0892872 0.0000000 -0.1074271 -1.3030965 4 Cl -1.2805287 0.0000000 -0.1487945 0.0000000 -1.2660760 0.0000000 -0.1284975 0.0000000 -0.9672559 5 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 0.0892872 0.0000000 0.1074271 -1.3030965 6 Cl -1.2805287 0.0000000 0.1487945 0.0000000 -1.2660760 0.0000000 0.1284975 0.0000000 -0.9672559 7 Cl -1.2805287 0.0000000 0.1487945 0.0000000 -1.2660760 0.0000000 0.1284975 0.0000000 -0.9672559 8 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 0.0892872 0.0000000 0.1074271 -1.3030965 9 Cl -1.2805287 0.0000000 -0.1487945 0.0000000 -1.2660760 0.0000000 -0.1284975 0.0000000 -0.9672559 10 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 -0.0892872 0.0000000 -0.1074271 -1.3030965 11 Li 1.2014110 0.0000000 0.0000000 0.0000000 1.1008283 0.0000000 0.0000000 0.0000000 1.1600979 12 Li 1.1924843 0.0000000 -0.2067959 0.0000000 1.1021245 0.0000000 -0.2575164 0.0000000 1.1298665 13 Li 1.1924843 0.0000000 0.2067959 0.0000000 1.1021245 0.0000000 0.2575164 0.0000000 1.1298665 14 Li 1.2014110 0.0000000 0.0000000 0.0000000 1.1008283 0.0000000 0.0000000 0.0000000 1.1600979 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, 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[ 81, 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: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:31:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:31:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.689258130000000 3.811748914999999 5.241002315000000 b 3.689258130000000 -3.811748914999999 5.241002315000000 c 3.689258130000000 3.811748914999999 -5.241002315000000 Atomic positions (fractional): 1 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 2 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 3 Cl 0.72631477635689 0.74520767734148 0.98110709901540 35.453 4 Cl 0.25395719450909 0.25651160801344 0.50255441350435 35.453 5 Cl 0.26410057832608 0.74520767734148 0.51889290098460 35.453 6 Cl 0.25395719450909 0.75140278100475 0.99744558649565 35.453 7 Cl 0.74604280549090 0.24859721899525 0.00255441350435 35.453 8 Cl 0.73589942167392 0.25479232265852 0.48110709901540 35.453 9 Cl 0.74604280549090 0.74348839198656 0.49744558649565 35.453 10 Cl 0.27368522364312 0.25479232265852 0.01889290098460 35.453 11 Li 0.10780550955824 0.85780550955824 0.25000000000000 6.941 12 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 13 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 14 Li 0.89219449044176 0.14219449044176 0.75000000000000 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.757032519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.246995659999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.482004630000000 Atomic positions (fractional): 1 Cd 0.25000000000000 0.25000000000000 0.00000000000000 112.411 > 1 2 Cd 0.75000000000000 0.25000000000000 0.00000000000000 112.411 > 1 3 Cd 0.25000000000000 0.75000000000000 0.00000000000000 112.411 > 1 4 Cd 0.75000000000000 0.75000000000000 0.00000000000000 112.411 > 1 5 Cd 0.25000000000000 0.00000000000000 0.00000000000000 112.411 > 5 6 Cd 0.75000000000000 0.00000000000000 0.00000000000000 112.411 > 5 7 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 5 8 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 5 9 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 10 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 1 11 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 1 12 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 1 13 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 5 14 Cd 0.50000000000000 0.25000000000000 0.50000000000000 112.411 > 5 15 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 5 16 Cd 0.50000000000000 0.75000000000000 0.50000000000000 112.411 > 5 17 Cl 0.25000000000000 0.24055354950770 0.24520767734148 35.453 > 17 18 Cl 0.75000000000000 0.24055354950770 0.24520767734148 35.453 > 17 19 Cl 0.25000000000000 0.74055354950770 0.24520767734148 35.453 > 17 20 Cl 0.75000000000000 0.74055354950770 0.24520767734148 35.453 > 17 21 Cl 0.12627720675217 0.12500000000000 0.00395719450910 35.453 > 21 22 Cl 0.62627720675217 0.12500000000000 0.00395719450910 35.453 > 21 23 Cl 0.12627720675217 0.62500000000000 0.00395719450910 35.453 > 21 24 Cl 0.62627720675217 0.62500000000000 0.00395719450910 35.453 > 21 25 Cl 0.00000000000000 0.25944645049230 0.74520767734148 35.453 > 25 26 Cl 0.50000000000000 0.25944645049230 0.74520767734148 35.453 > 25 27 Cl 0.00000000000000 0.75944645049230 0.74520767734148 35.453 > 25 28 Cl 0.50000000000000 0.75944645049230 0.74520767734148 35.453 > 25 29 Cl 0.37372279324783 0.12500000000000 0.00395719450910 35.453 > 29 30 Cl 0.87372279324783 0.12500000000000 0.00395719450910 35.453 > 29 31 Cl 0.37372279324783 0.62500000000000 0.00395719450910 35.453 > 29 32 Cl 0.87372279324783 0.62500000000000 0.00395719450910 35.453 > 29 33 Cl 0.12627720675217 0.37500000000000 0.99604280549090 35.453 > 33 34 Cl 0.62627720675217 0.37500000000000 0.99604280549090 35.453 > 33 35 Cl 0.12627720675217 0.87500000000000 0.99604280549090 35.453 > 33 36 Cl 0.62627720675217 0.87500000000000 0.99604280549090 35.453 > 33 37 Cl 0.00000000000000 0.24055354950770 0.25479232265852 35.453 > 37 38 Cl 0.50000000000000 0.24055354950770 0.25479232265852 35.453 > 37 39 Cl 0.00000000000000 0.74055354950770 0.25479232265852 35.453 > 37 40 Cl 0.50000000000000 0.74055354950770 0.25479232265852 35.453 > 37 41 Cl 0.37372279324783 0.37500000000000 0.99604280549090 35.453 > 41 42 Cl 0.87372279324783 0.37500000000000 0.99604280549090 35.453 > 41 43 Cl 0.37372279324783 0.87500000000000 0.99604280549090 35.453 > 41 44 Cl 0.87372279324783 0.87500000000000 0.99604280549090 35.453 > 41 45 Cl 0.25000000000000 0.25944645049230 0.75479232265852 35.453 > 45 46 Cl 0.75000000000000 0.25944645049230 0.75479232265852 35.453 > 45 47 Cl 0.25000000000000 0.75944645049230 0.75479232265852 35.453 > 45 48 Cl 0.75000000000000 0.75944645049230 0.75479232265852 35.453 > 45 49 Cl 0.00000000000000 0.49055354950770 0.74520767734148 35.453 > 17 50 Cl 0.50000000000000 0.49055354950770 0.74520767734148 35.453 > 17 51 Cl 0.00000000000000 0.99055354950770 0.74520767734148 35.453 > 17 52 Cl 0.50000000000000 0.99055354950770 0.74520767734148 35.453 > 17 53 Cl 0.37627720675217 0.37500000000000 0.50395719450910 35.453 > 21 54 Cl 0.87627720675217 0.37500000000000 0.50395719450910 35.453 > 21 55 Cl 0.37627720675217 0.87500000000000 0.50395719450910 35.453 > 21 56 Cl 0.87627720675217 0.87500000000000 0.50395719450910 35.453 > 21 57 Cl 0.25000000000000 0.00944645049230 0.24520767734148 35.453 > 25 58 Cl 0.75000000000000 0.00944645049230 0.24520767734148 35.453 > 25 59 Cl 0.25000000000000 0.50944645049230 0.24520767734148 35.453 > 25 60 Cl 0.75000000000000 0.50944645049230 0.24520767734148 35.453 > 25 61 Cl 0.12372279324783 0.37500000000000 0.50395719450910 35.453 > 29 62 Cl 0.62372279324783 0.37500000000000 0.50395719450910 35.453 > 29 63 Cl 0.12372279324783 0.87500000000000 0.50395719450910 35.453 > 29 64 Cl 0.62372279324783 0.87500000000000 0.50395719450910 35.453 > 29 65 Cl 0.37627720675217 0.12500000000000 0.49604280549090 35.453 > 33 66 Cl 0.87627720675217 0.12500000000000 0.49604280549090 35.453 > 33 67 Cl 0.37627720675217 0.62500000000000 0.49604280549090 35.453 > 33 68 Cl 0.87627720675217 0.62500000000000 0.49604280549090 35.453 > 33 69 Cl 0.25000000000000 0.49055354950770 0.75479232265852 35.453 > 37 70 Cl 0.75000000000000 0.49055354950770 0.75479232265852 35.453 > 37 71 Cl 0.25000000000000 0.99055354950770 0.75479232265852 35.453 > 37 72 Cl 0.75000000000000 0.99055354950770 0.75479232265852 35.453 > 37 73 Cl 0.12372279324783 0.12500000000000 0.49604280549090 35.453 > 41 74 Cl 0.62372279324783 0.12500000000000 0.49604280549090 35.453 > 41 75 Cl 0.12372279324783 0.62500000000000 0.49604280549090 35.453 > 41 76 Cl 0.62372279324783 0.62500000000000 0.49604280549090 35.453 > 41 77 Cl 0.00000000000000 0.00944645049230 0.25479232265852 35.453 > 45 78 Cl 0.50000000000000 0.00944645049230 0.25479232265852 35.453 > 45 79 Cl 0.00000000000000 0.50944645049230 0.25479232265852 35.453 > 45 80 Cl 0.50000000000000 0.50944645049230 0.25479232265852 35.453 > 45 81 Li 0.00000000000000 0.12500000000000 0.85780550955824 6.941 > 81 82 Li 0.50000000000000 0.12500000000000 0.85780550955824 6.941 > 81 83 Li 0.00000000000000 0.62500000000000 0.85780550955824 6.941 > 81 84 Li 0.50000000000000 0.62500000000000 0.85780550955824 6.941 > 81 85 Li 0.37500000000000 0.37500000000000 0.75000000000000 6.941 > 85 86 Li 0.87500000000000 0.37500000000000 0.75000000000000 6.941 > 85 87 Li 0.37500000000000 0.87500000000000 0.75000000000000 6.941 > 85 88 Li 0.87500000000000 0.87500000000000 0.75000000000000 6.941 > 85 89 Li 0.12500000000000 0.37500000000000 0.75000000000000 6.941 > 89 90 Li 0.62500000000000 0.37500000000000 0.75000000000000 6.941 > 89 91 Li 0.12500000000000 0.87500000000000 0.75000000000000 6.941 > 89 92 Li 0.62500000000000 0.87500000000000 0.75000000000000 6.941 > 89 93 Li 0.00000000000000 0.37500000000000 0.14219449044176 6.941 > 93 94 Li 0.50000000000000 0.37500000000000 0.14219449044176 6.941 > 93 95 Li 0.00000000000000 0.87500000000000 0.14219449044176 6.941 > 93 96 Li 0.50000000000000 0.87500000000000 0.14219449044176 6.941 > 93 97 Li 0.25000000000000 0.37500000000000 0.35780550955824 6.941 > 81 98 Li 0.75000000000000 0.37500000000000 0.35780550955824 6.941 > 81 99 Li 0.25000000000000 0.87500000000000 0.35780550955824 6.941 > 81 100 Li 0.75000000000000 0.87500000000000 0.35780550955824 6.941 > 81 101 Li 0.12500000000000 0.12500000000000 0.25000000000000 6.941 > 85 102 Li 0.62500000000000 0.12500000000000 0.25000000000000 6.941 > 85 103 Li 0.12500000000000 0.62500000000000 0.25000000000000 6.941 > 85 104 Li 0.62500000000000 0.62500000000000 0.25000000000000 6.941 > 85 105 Li 0.37500000000000 0.12500000000000 0.25000000000000 6.941 > 89 106 Li 0.87500000000000 0.12500000000000 0.25000000000000 6.941 > 89 107 Li 0.37500000000000 0.62500000000000 0.25000000000000 6.941 > 89 108 Li 0.87500000000000 0.62500000000000 0.25000000000000 6.941 > 89 109 Li 0.25000000000000 0.12500000000000 0.64219449044176 6.941 > 93 110 Li 0.75000000000000 0.12500000000000 0.64219449044176 6.941 > 93 111 Li 0.25000000000000 0.62500000000000 0.64219449044176 6.941 > 93 112 Li 0.75000000000000 0.62500000000000 0.64219449044176 6.941 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0674492 0.0000000 0.0000000 0.0000000 3.2202759 0.0000000 0.0000000 0.0000000 3.1657581 -------------------------- Born effective charges -------------------------- 1 Cd 1.9280268 0.0000000 0.0000000 0.0000000 2.5825701 -0.1565084 0.0000000 -0.1482990 2.2507404 2 Cd 1.9280268 0.0000000 0.0000000 0.0000000 2.5825701 0.1565084 0.0000000 0.1482990 2.2507404 3 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 -0.0892872 0.0000000 -0.1074271 -1.3030965 4 Cl -1.2805287 0.0000000 -0.1487945 0.0000000 -1.2660760 0.0000000 -0.1284975 0.0000000 -0.9672559 5 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 0.0892872 0.0000000 0.1074271 -1.3030965 6 Cl -1.2805287 0.0000000 0.1487945 0.0000000 -1.2660760 0.0000000 0.1284975 0.0000000 -0.9672559 7 Cl -1.2805287 0.0000000 0.1487945 0.0000000 -1.2660760 0.0000000 0.1284975 0.0000000 -0.9672559 8 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 0.0892872 0.0000000 0.1074271 -1.3030965 9 Cl -1.2805287 0.0000000 -0.1487945 0.0000000 -1.2660760 0.0000000 -0.1284975 0.0000000 -0.9672559 10 Cl -0.8804324 0.0000000 0.0000000 0.0000000 -1.1266854 -0.0892872 0.0000000 -0.1074271 -1.3030965 11 Li 1.2014110 0.0000000 0.0000000 0.0000000 1.1008283 0.0000000 0.0000000 0.0000000 1.1600979 12 Li 1.1924843 0.0000000 -0.2067959 0.0000000 1.1021245 0.0000000 -0.2575164 0.0000000 1.1298665 13 Li 1.1924843 0.0000000 0.2067959 0.0000000 1.1021245 0.0000000 0.2575164 0.0000000 1.1298665 14 Li 1.2014110 0.0000000 0.0000000 0.0000000 1.1008283 0.0000000 0.0000000 0.0000000 1.1600979 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 7 70 ] Grid generation matrix: [ 0 7 7 ] [ 7 0 7 ] [ 5 5 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: 0.62, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 96 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 1.400 ( 0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.207 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 7.096 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.463 ( 0.000 0.000 0.000) 0.000 8.148 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.659 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 14.080 14.859 -0.000) 20.470 0.588 ( 16.446 12.597 -0.000) 20.716 0.954 ( 18.569 28.140 -0.000) 33.714 1.411 ( 1.561 -0.258 -0.000) 1.582 1.586 ( 1.133 0.892 -0.000) 1.442 2.267 ( 11.239 -4.134 -0.000) 11.975 2.436 ( 0.705 -3.657 0.000) 3.724 2.550 ( -2.656 14.599 -0.000) 14.839 2.750 ( -2.300 2.494 0.000) 3.393 2.772 ( 0.418 0.689 -0.000) 0.805 2.904 ( -2.740 11.330 0.000) 11.656 2.937 ( 11.893 5.993 -0.000) 13.317 3.296 ( 8.081 -1.868 -0.000) 8.294 3.323 ( 3.139 1.747 -0.000) 3.593 3.651 ( -0.770 1.543 0.000) 1.725 4.016 ( 2.031 10.423 -0.000) 10.619 4.130 ( 2.626 -0.804 -0.000) 2.747 4.461 ( -3.367 2.906 0.000) 4.448 4.464 ( -2.690 -2.128 0.000) 3.430 4.795 ( 1.009 -3.703 -0.000) 3.838 5.051 ( 5.670 1.343 -0.000) 5.827 5.274 ( 3.971 0.576 -0.000) 4.012 5.453 ( -4.495 10.580 0.000) 11.495 5.475 ( -2.727 -5.615 0.000) 6.243 5.874 ( 4.368 -4.492 -0.000) 6.266 6.046 ( 3.893 -1.506 -0.000) 4.174 6.155 ( -2.920 -2.069 0.000) 3.579 6.218 ( -2.617 5.446 0.000) 6.042 6.758 ( -1.561 -5.768 0.000) 5.975 6.875 ( -4.795 -7.521 0.000) 8.919 6.998 ( -6.105 -2.811 0.000) 6.721 7.316 ( 13.669 -11.944 -0.000) 18.152 7.428 ( 4.118 -4.285 -0.000) 5.943 7.433 ( -4.419 1.364 0.000) 4.625 8.350 ( -13.696 10.930 0.000) 17.522 8.428 ( 0.984 0.106 -0.000) 0.990 8.661 ( -2.813 0.098 0.000) 2.814 9.005 ( -5.756 -6.918 0.000) 8.999 9.471 ( -1.104 -7.769 0.000) 7.847 9.915 ( 20.086 -24.556 -0.000) 31.725 10.424 ( 0.685 8.801 -0.000) 8.828 11.250 ( -15.120 12.013 0.000) 19.312 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 9.808 11.225 -0.000) 14.906 1.075 ( 12.061 8.907 -0.000) 14.993 1.460 ( 2.894 1.150 -0.000) 3.114 1.587 ( 0.047 6.223 -0.000) 6.224 1.736 ( 9.408 15.823 -0.000) 18.408 2.362 ( 1.788 -6.633 -0.000) 6.869 2.465 ( 15.671 -3.589 -0.000) 16.077 2.740 ( -5.229 4.321 0.000) 6.783 2.811 ( 2.156 2.029 -0.000) 2.961 2.885 ( 5.069 17.607 -0.000) 18.322 3.127 ( -0.949 13.552 -0.000) 13.586 3.355 ( 13.839 9.624 -0.000) 16.856 3.365 ( -1.664 2.106 0.000) 2.684 3.453 ( 8.386 1.405 -0.000) 8.502 3.761 ( 1.825 7.394 -0.000) 7.616 4.132 ( 1.416 -2.855 -0.000) 3.187 4.222 ( -2.082 4.841 0.000) 5.270 4.366 ( -4.173 -3.953 0.000) 5.748 4.465 ( 2.384 8.412 -0.000) 8.743 4.600 ( -8.564 -5.903 0.000) 10.401 5.156 ( -4.137 -16.552 0.000) 17.062 5.325 ( 9.532 1.542 -0.000) 9.656 5.408 ( 7.373 1.285 -0.000) 7.484 5.660 ( -0.582 12.342 -0.000) 12.356 5.753 ( 1.117 -8.031 0.000) 8.108 6.030 ( -4.071 -3.065 0.000) 5.096 6.263 ( 17.174 -0.713 -0.000) 17.188 6.285 ( -0.362 4.586 -0.000) 4.600 6.574 ( -2.974 -8.275 0.000) 8.794 6.610 ( -10.550 -2.908 0.000) 10.944 6.837 ( -3.972 -0.743 0.000) 4.041 7.286 ( 7.684 -12.395 -0.000) 14.583 7.349 ( -7.739 2.615 0.000) 8.169 7.525 ( 8.217 1.060 -0.000) 8.285 8.197 ( -17.688 3.031 0.000) 17.946 8.368 ( -6.348 -2.742 0.000) 6.915 8.615 ( 0.131 -1.335 0.000) 1.341 8.735 ( -5.658 -6.866 0.000) 8.897 9.329 ( -1.998 -2.418 0.000) 3.137 9.770 ( 6.140 -17.829 -0.000) 18.857 10.625 ( 2.077 9.060 -0.000) 9.295 11.155 ( -9.093 2.920 0.000) 9.551 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 3.150 4.106 -0.000) 5.175 1.349 ( 4.542 2.369 -0.000) 5.122 1.562 ( 2.158 3.402 -0.000) 4.029 1.618 ( 0.092 -0.356 -0.000) 0.368 2.100 ( -1.359 13.531 -0.000) 13.599 2.259 ( 3.583 -10.022 -0.000) 10.643 2.651 ( 10.208 -4.912 -0.000) 11.329 2.712 ( -7.074 5.322 0.000) 8.853 2.956 ( 6.172 4.819 -0.000) 7.831 3.153 ( -4.157 -3.682 0.000) 5.553 3.346 ( 13.949 7.517 -0.000) 15.846 3.495 ( -6.251 13.759 0.000) 15.113 3.637 ( 9.843 0.773 -0.000) 9.873 3.798 ( 6.248 14.358 -0.000) 15.659 3.827 ( -7.732 1.916 0.000) 7.966 4.112 ( 0.672 -1.372 -0.000) 1.527 4.161 ( 1.155 -15.178 0.000) 15.221 4.179 ( -4.262 0.625 0.000) 4.307 4.413 ( -4.422 6.150 0.000) 7.575 4.646 ( -2.210 -10.446 0.000) 10.677 4.865 ( 3.762 5.696 -0.000) 6.826 5.196 ( -5.918 -12.060 0.000) 13.434 5.602 ( 7.914 2.839 -0.000) 8.408 5.764 ( 0.497 -2.882 0.000) 2.924 5.855 ( -1.602 9.620 -0.000) 9.752 5.922 ( 1.966 -3.583 -0.000) 4.087 6.372 ( 0.422 4.200 -0.000) 4.221 6.377 ( 0.460 -6.011 0.000) 6.029 6.404 ( -7.878 1.033 0.000) 7.945 6.455 ( 3.263 -5.186 -0.000) 6.127 7.023 ( 18.560 4.335 -0.000) 19.060 7.206 ( 3.537 -7.006 -0.000) 7.849 7.278 ( -7.199 8.743 0.000) 11.325 7.635 ( -8.000 -7.148 0.000) 10.728 7.867 ( -3.888 3.534 0.000) 5.254 8.110 ( -9.979 -5.878 0.000) 11.581 8.598 ( 1.180 -2.234 -0.000) 2.526 8.599 ( -2.024 -0.305 0.000) 2.047 9.339 ( -2.670 8.551 0.000) 8.958 9.526 ( 2.914 -15.997 0.000) 16.260 10.830 ( 4.336 5.992 -0.000) 7.396 11.011 ( -6.642 -1.897 0.000) 6.908 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.41 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -0.000 5.838 4.446) 7.338 1.209 ( -0.000 11.423 4.060) 12.123 1.383 ( 0.000 -1.222 0.459) 1.305 1.513 ( 0.000 -4.345 -3.419) 5.529 1.962 ( 0.000 -1.918 -1.415) 2.384 2.151 ( -0.000 13.523 0.743) 13.543 2.360 ( 0.000 -5.848 5.498) 8.026 2.729 ( -0.000 0.253 -0.357) 0.438 2.752 ( -0.000 0.176 -2.325) 2.332 3.119 ( 0.000 3.143 5.437) 6.280 3.242 ( -0.000 -1.112 -2.450) 2.690 3.306 ( -0.000 6.999 1.766) 7.219 3.678 ( -0.000 19.445 1.560) 19.508 3.865 ( 0.000 3.011 4.876) 5.731 3.870 ( -0.000 15.644 9.262) 18.180 4.143 ( 0.000 -4.575 2.238) 5.093 4.413 ( 0.000 -3.433 -0.332) 3.449 4.449 ( -0.000 4.996 0.246) 5.002 4.650 ( 0.000 -22.803 -8.802) 24.443 4.707 ( 0.000 -2.896 -1.487) 3.255 4.818 ( 0.000 -2.591 4.675) 5.345 4.833 ( -0.000 8.002 -3.770) 8.845 5.340 ( 0.000 2.026 3.723) 4.239 5.509 ( 0.000 -8.609 -1.839) 8.804 5.871 ( -0.000 10.223 -1.677) 10.360 5.954 ( 0.000 -0.247 -0.163) 0.296 6.021 ( 0.000 -4.870 1.085) 4.990 6.226 ( 0.000 -1.708 -0.775) 1.876 6.341 ( -0.000 0.589 -3.656) 3.703 6.452 ( 0.000 -4.599 -0.712) 4.653 6.826 ( -0.000 -2.356 -3.731) 4.413 7.275 ( -0.000 1.726 1.210) 2.108 7.388 ( 0.000 0.331 0.796) 0.862 7.456 ( 0.000 -3.531 -0.978) 3.664 8.024 ( -0.000 -1.815 -4.976) 5.297 8.460 ( 0.000 -2.689 -1.674) 3.168 8.661 ( 0.000 -1.046 2.531) 2.738 9.161 ( 0.000 -0.518 4.940) 4.967 9.324 ( -0.000 4.038 -1.688) 4.377 9.681 ( 0.000 -6.760 3.093) 7.434 10.678 ( -0.000 3.309 -0.469) 3.342 11.195 ( -0.000 -0.720 -3.908) 3.974 ======================= Grid point 8 (6/96) ======================= q-point: (-0.59 -0.01 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 6.308 -0.088 -3.343) 7.139 1.371 ( 3.333 2.545 -5.741) 7.109 1.452 ( 5.098 1.699 -2.872) 6.093 1.520 ( 2.401 4.409 -1.718) 5.306 2.057 ( 11.214 -0.898 1.037) 11.297 2.106 ( -3.186 -9.823 2.681) 10.669 2.411 ( -3.428 10.100 -4.052) 11.410 2.735 ( -0.587 1.384 -3.032) 3.384 2.851 ( 9.289 -0.574 -0.961) 9.357 3.170 ( -2.106 3.671 2.411) 4.871 3.238 ( 0.221 1.027 -6.083) 6.173 3.352 ( -0.689 -1.712 -1.463) 2.355 3.630 ( -2.976 -16.325 0.647) 16.607 3.864 ( -2.074 -0.494 -3.182) 3.830 4.124 ( 1.986 -12.912 -4.903) 13.953 4.175 ( 2.050 10.133 1.166) 10.403 4.363 ( -2.705 2.337 1.642) 3.934 4.466 ( -1.316 3.159 0.834) 3.523 4.483 ( -1.803 11.063 3.210) 11.660 4.564 ( -4.959 0.763 1.216) 5.163 4.825 ( 1.266 -5.055 2.541) 5.798 4.918 ( 4.457 -2.448 -0.269) 5.093 5.447 ( 3.264 4.840 -2.578) 6.381 5.518 ( 4.351 5.250 -0.538) 6.840 5.855 ( -1.117 -9.046 -0.205) 9.117 5.981 ( 2.386 1.524 -0.335) 2.851 6.066 ( 2.983 4.458 -1.215) 5.500 6.294 ( 5.839 -0.153 2.287) 6.273 6.349 ( 2.695 -0.867 -2.829) 4.002 6.416 ( -0.219 1.915 0.510) 1.993 6.705 ( -7.001 -1.728 0.089) 7.212 7.187 ( -3.209 -5.023 4.109) 7.239 7.414 ( -2.638 2.476 -2.626) 4.470 7.487 ( 4.756 2.467 -0.437) 5.376 8.023 ( 1.352 -1.286 -1.435) 2.354 8.394 ( -3.429 -1.119 2.107) 4.177 8.672 ( 1.318 0.270 2.999) 3.287 8.945 ( -2.341 -12.277 15.038) 19.553 9.429 ( -3.990 1.665 -6.447) 7.763 9.695 ( -4.029 16.286 -3.396) 17.117 10.685 ( 1.408 -3.653 -0.514) 3.949 11.114 ( -3.839 -3.520 0.400) 5.224 ======================= Grid point 9 (7/96) ======================= q-point: (-0.59 -0.01 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 3.969 -4.366 -6.806) 9.007 1.465 ( 2.599 -2.252 -2.619) 4.322 1.525 ( 3.370 -8.118 -6.097) 10.697 1.686 ( 4.044 6.015 -3.836) 8.201 1.877 ( -4.724 -0.920 1.654) 5.089 2.266 ( 9.121 -2.351 2.264) 9.687 2.483 ( -4.357 5.926 -6.329) 9.703 2.778 ( 4.263 -0.739 -2.267) 4.884 2.984 ( 7.152 -8.043 -1.941) 10.937 3.104 ( -1.120 -9.872 2.472) 10.238 3.215 ( -4.460 -5.149 -0.422) 6.825 3.273 ( 0.293 0.359 -5.121) 5.142 3.366 ( 3.562 -1.376 -6.617) 7.640 3.707 ( 1.032 -6.318 -11.126) 12.837 3.984 ( -2.254 -6.708 -1.901) 7.327 4.197 ( -6.233 -1.770 5.238) 8.332 4.343 ( -1.899 0.760 -3.886) 4.391 4.471 ( -4.507 4.174 3.996) 7.328 4.559 ( -2.100 -2.306 -1.140) 3.321 4.666 ( 3.158 -1.014 -2.127) 3.940 4.790 ( -0.280 15.230 6.732) 16.654 5.101 ( 6.902 7.676 4.857) 11.408 5.530 ( 0.336 -7.125 -2.033) 7.417 5.698 ( 1.677 -1.559 -2.348) 3.280 5.723 ( 4.555 5.191 -1.467) 7.060 6.073 ( 1.157 2.605 -1.593) 3.266 6.163 ( 3.853 -1.959 0.298) 4.332 6.358 ( -0.246 2.924 2.558) 3.893 6.434 ( 1.201 1.989 1.545) 2.791 6.532 ( 5.776 2.044 -1.877) 6.408 6.566 ( -0.531 0.087 0.230) 0.585 7.019 ( -2.063 -6.520 2.229) 7.192 7.442 ( -2.301 5.192 -2.776) 6.321 7.634 ( 6.740 0.023 -1.053) 6.822 7.930 ( -9.170 -3.169 2.295) 9.970 8.285 ( -7.126 2.129 4.856) 8.882 8.659 ( 0.664 -3.328 7.999) 8.689 8.796 ( 3.730 -2.952 7.118) 8.561 9.361 ( -5.172 4.747 -3.750) 7.959 10.005 ( -2.118 19.092 -1.317) 19.254 10.607 ( 2.388 -8.602 -2.813) 9.361 10.945 ( -4.650 -4.236 2.630) 6.818 ======================= Grid point 10 (8/96) ======================= q-point: (-0.59 -0.01 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 1.458 -6.954 -2.209) 7.441 1.250 ( -4.323 -10.555 -5.546) 12.683 1.435 ( -1.639 -1.541 -2.605) 3.442 1.870 ( -2.620 4.635 4.509) 6.977 1.883 ( 3.429 4.693 -1.635) 6.038 2.296 ( 1.023 -2.275 -2.291) 3.386 2.464 ( -2.596 -1.943 -4.104) 5.230 2.667 ( 0.524 -12.086 -1.642) 12.209 2.710 ( -2.378 -13.347 1.797) 13.676 3.112 ( 3.148 0.742 -3.515) 4.776 3.209 ( -2.927 7.174 0.931) 7.804 3.338 ( 6.209 1.127 2.588) 6.821 3.476 ( 3.587 1.113 -5.883) 6.979 3.663 ( -5.562 -1.359 -4.533) 7.303 3.809 ( 0.546 -5.484 -3.405) 6.478 4.042 ( -6.066 0.163 3.299) 6.907 4.145 ( -2.203 -10.541 -0.297) 10.773 4.448 ( -1.994 0.567 0.909) 2.263 4.542 ( -1.745 4.248 0.286) 4.601 4.773 ( -0.483 5.150 4.113) 6.608 5.069 ( 3.617 9.990 -0.737) 10.650 5.228 ( 0.152 -10.632 -0.164) 10.635 5.476 ( 6.503 5.687 1.337) 8.742 5.750 ( -0.256 1.366 -2.150) 2.560 5.832 ( 1.252 -0.496 -1.301) 1.872 6.048 ( -5.080 0.745 -0.964) 5.224 6.203 ( 2.410 -0.484 1.139) 2.709 6.354 ( -0.990 0.659 1.524) 1.933 6.479 ( 0.268 3.735 0.451) 3.771 6.587 ( 1.663 -0.441 0.614) 1.826 6.791 ( 9.509 2.318 -2.560) 10.117 6.907 ( 1.718 -3.710 -3.541) 5.409 7.400 ( -9.409 -1.478 3.097) 10.015 7.627 ( -1.075 -1.341 -0.529) 1.799 7.791 ( 1.479 -0.278 -1.465) 2.100 8.252 ( -1.362 3.121 3.234) 4.696 8.641 ( 0.546 -0.690 4.305) 4.394 8.879 ( 3.525 2.110 3.852) 5.632 9.430 ( -0.854 7.236 -0.745) 7.324 10.252 ( 1.085 7.849 3.717) 8.753 10.451 ( -2.071 -7.285 -4.024) 8.576 10.841 ( -0.666 -1.065 0.172) 1.268 ======================= Grid point 11 (9/96) ======================= q-point: ( 0.41 -0.01 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -3.918 0.000 4.149) 5.706 1.091 ( -6.910 0.000 1.691) 7.114 1.400 ( -0.178 -0.000 -0.806) 0.825 1.862 ( -2.858 0.000 3.637) 4.625 1.946 ( -5.083 0.000 8.008) 9.485 2.286 ( -0.308 -0.000 -6.638) 6.645 2.354 ( 1.429 -0.000 -1.023) 1.757 2.557 ( -1.154 0.000 0.596) 1.299 2.584 ( 2.178 -0.000 0.233) 2.190 3.076 ( -5.553 0.000 2.698) 6.174 3.219 ( -5.275 0.000 6.796) 8.603 3.389 ( -13.684 0.000 -2.857) 13.979 3.477 ( -2.970 0.000 -1.825) 3.486 3.568 ( 7.733 -0.000 3.950) 8.684 3.657 ( -8.192 0.000 4.563) 9.377 4.012 ( -1.262 0.000 0.367) 1.314 4.151 ( 13.351 -0.000 -5.240) 14.342 4.419 ( -1.546 0.000 3.070) 3.437 4.588 ( 1.593 -0.000 1.389) 2.113 4.808 ( -2.949 0.000 6.476) 7.116 5.084 ( 1.091 -0.000 -0.641) 1.265 5.237 ( 2.792 -0.000 -6.090) 6.699 5.547 ( -9.183 0.000 0.582) 9.201 5.738 ( -1.593 0.000 1.248) 2.024 5.827 ( 0.920 -0.000 -2.357) 2.530 6.011 ( 1.781 -0.000 3.319) 3.767 6.203 ( -2.037 0.000 1.192) 2.360 6.406 ( 5.574 -0.000 -2.917) 6.292 6.566 ( 2.077 -0.000 -2.751) 3.448 6.595 ( 1.739 -0.000 -2.921) 3.400 6.768 ( -15.639 0.000 3.443) 16.014 6.890 ( 3.597 -0.000 -6.304) 7.258 7.446 ( 16.244 -0.000 -1.774) 16.340 7.599 ( -2.577 0.000 -0.083) 2.578 7.794 ( -1.014 0.000 -1.932) 2.182 8.329 ( 5.213 -0.000 -1.659) 5.471 8.653 ( 1.620 -0.000 2.059) 2.620 8.936 ( -0.725 0.000 0.867) 1.130 9.505 ( -0.656 0.000 -0.208) 0.689 10.303 ( -0.742 0.000 -1.926) 2.064 10.403 ( 3.234 -0.000 1.219) 3.456 10.833 ( 0.556 -0.000 -0.167) 0.581 ======================= Grid point 12 (10/96) ======================= q-point: ( 0.41 -0.01 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -9.441 5.189 7.080) 12.891 1.100 ( -4.016 14.178 10.423) 18.049 1.422 ( 0.782 0.812 1.316) 1.733 1.676 ( -8.047 -4.126 7.926) 12.025 1.838 ( -4.993 1.100 6.187) 8.026 2.288 ( -4.494 1.954 -4.799) 6.859 2.468 ( 2.383 0.449 1.286) 2.745 2.577 ( -1.819 10.175 3.116) 10.796 2.812 ( 5.313 13.687 0.588) 14.693 2.881 ( -6.582 -4.439 4.426) 9.089 3.103 ( -5.451 1.138 8.075) 9.809 3.161 ( -12.221 4.380 0.854) 13.010 3.390 ( -1.138 -3.815 0.525) 4.015 3.490 ( -3.229 -2.204 6.835) 7.874 3.773 ( 1.625 7.222 5.042) 8.957 4.081 ( -1.910 9.777 0.900) 10.002 4.350 ( 2.444 -2.963 2.239) 4.446 4.409 ( 3.420 2.585 2.657) 5.043 4.605 ( 4.926 -5.282 2.137) 7.532 4.703 ( 0.754 -4.791 0.701) 4.901 5.149 ( -3.687 -3.582 -5.703) 7.678 5.263 ( 2.116 3.975 -2.650) 5.225 5.356 ( -4.574 0.121 -0.188) 4.580 5.622 ( -7.323 -0.858 5.203) 9.024 5.812 ( 0.424 -3.865 -2.075) 4.407 6.083 ( 3.030 -0.913 1.469) 3.489 6.135 ( -4.841 0.866 -0.516) 4.945 6.429 ( -8.875 -2.136 3.574) 9.803 6.551 ( -1.671 -1.886 -7.363) 7.783 6.570 ( 6.945 -0.049 -4.455) 8.251 6.628 ( 0.616 -2.700 -3.487) 4.453 7.003 ( 4.985 3.098 -6.497) 8.756 7.501 ( -2.604 -1.921 0.400) 3.260 7.646 ( 1.565 -5.855 0.357) 6.071 7.926 ( 11.552 5.983 -4.495) 13.764 8.423 ( 6.278 -2.234 -4.435) 8.004 8.697 ( 2.067 0.175 3.090) 3.722 8.872 ( -3.825 0.741 -6.116) 7.252 9.408 ( -1.175 -5.951 1.639) 6.284 10.291 ( 0.760 -12.486 0.696) 12.528 10.410 ( 0.071 5.387 1.657) 5.636 10.931 ( 5.247 4.970 -3.047) 7.843 ======================= Grid point 13 (11/96) ======================= q-point: ( 0.41 -0.01 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -5.833 9.200 7.686) 13.332 1.122 ( -10.817 6.117 12.339) 17.512 1.431 ( -0.868 -0.528 1.877) 2.134 1.594 ( -1.324 -0.848 0.986) 1.856 1.859 ( -1.007 12.643 7.468) 14.718 2.117 ( -10.599 -1.540 -3.273) 11.199 2.447 ( 2.548 -5.546 4.854) 7.798 2.719 ( 0.943 1.397 0.280) 1.709 2.803 ( -6.758 3.910 0.629) 7.833 3.063 ( 0.461 3.682 7.787) 8.626 3.111 ( -2.428 10.956 4.559) 12.112 3.262 ( 1.709 18.167 1.300) 18.294 3.298 ( -1.581 -1.226 0.549) 2.074 3.521 ( 3.449 7.723 8.569) 12.040 3.879 ( -5.316 7.150 5.892) 10.682 4.238 ( -0.119 2.142 4.430) 4.922 4.296 ( -0.678 3.932 2.001) 4.463 4.501 ( 1.208 -3.110 4.400) 5.522 4.604 ( 3.599 3.416 0.630) 5.002 4.704 ( 6.059 -5.068 -4.980) 9.338 4.977 ( -3.150 -6.897 -5.499) 9.366 5.069 ( -2.797 -13.783 -4.543) 14.779 5.394 ( -5.040 -0.571 5.207) 7.269 5.634 ( 0.051 11.607 -0.034) 11.607 5.698 ( -0.466 -7.246 -1.705) 7.458 6.008 ( -4.267 -0.800 -1.028) 4.461 6.094 ( -0.566 -2.679 1.819) 3.287 6.315 ( -1.973 0.001 1.185) 2.301 6.386 ( -7.975 -1.925 -5.908) 10.110 6.544 ( 1.558 -6.083 -3.525) 7.201 6.763 ( 9.118 -1.091 -6.103) 11.026 7.164 ( 3.920 3.994 -3.749) 6.736 7.426 ( -3.328 0.297 0.447) 3.371 7.542 ( 2.681 -7.978 1.915) 8.631 8.090 ( -0.780 -1.174 -6.476) 6.628 8.478 ( 3.868 -2.743 -4.191) 6.328 8.704 ( -0.600 -1.514 2.208) 2.743 8.960 ( 1.634 10.983 -10.032) 14.965 9.332 ( 2.186 -2.719 6.935) 7.763 9.940 ( 1.221 -21.321 8.771) 23.087 10.564 ( -0.941 9.220 -1.060) 9.328 11.127 ( 4.893 2.988 -6.460) 8.637 ======================= Grid point 14 (12/96) ======================= q-point: (-0.17 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -0.000 -7.501 -16.068) 17.733 0.524 ( -0.000 -13.462 -13.411) 19.002 1.057 ( 0.000 -29.117 -21.334) 36.096 1.413 ( -0.000 0.885 -1.851) 2.052 1.604 ( -0.000 -0.135 -3.011) 3.014 2.104 ( 0.000 2.053 2.664) 3.364 2.468 ( -0.000 2.975 -3.543) 4.626 2.564 ( 0.000 -14.394 2.542) 14.617 2.733 ( 0.000 0.257 0.593) 0.646 2.843 ( -0.000 -3.309 -3.350) 4.708 2.859 ( -0.000 -2.876 -7.543) 8.072 2.961 ( 0.000 -11.589 -1.492) 11.685 3.223 ( -0.000 -1.053 -4.216) 4.346 3.325 ( -0.000 -1.890 -3.614) 4.078 3.677 ( -0.000 -0.580 -1.719) 1.815 4.008 ( 0.000 -10.182 -1.655) 10.315 4.151 ( -0.000 -0.552 -5.115) 5.144 4.494 ( 0.000 -6.605 1.157) 6.706 4.567 ( -0.000 5.081 -7.258) 8.859 4.919 ( -0.000 9.083 -12.071) 15.106 4.967 ( 0.000 2.084 5.763) 6.128 5.258 ( -0.000 0.955 -3.716) 3.837 5.453 ( -0.000 9.642 4.123) 10.486 5.464 ( 0.000 -14.262 10.010) 17.424 5.814 ( -0.000 2.810 0.192) 2.816 6.018 ( -0.000 2.664 0.774) 2.774 6.160 ( -0.000 2.152 1.969) 2.916 6.330 ( -0.000 1.481 1.029) 1.803 6.331 ( 0.000 -9.132 8.563) 12.518 6.745 ( -0.000 5.269 3.137) 6.132 7.078 ( 0.000 2.985 6.961) 7.574 7.235 ( 0.000 0.477 2.781) 2.822 7.366 ( -0.000 -0.013 -0.244) 0.244 7.731 ( -0.000 17.617 -11.329) 20.945 8.263 ( 0.000 0.891 10.443) 10.481 8.645 ( 0.000 0.354 4.380) 4.394 8.660 ( -0.000 2.539 -6.008) 6.523 8.955 ( 0.000 -12.428 12.650) 17.734 9.224 ( -0.000 -2.630 -3.853) 4.665 10.122 ( -0.000 28.694 -21.740) 35.999 10.402 ( 0.000 -8.941 1.428) 9.054 11.293 ( 0.000 -7.092 12.485) 14.359 ======================= Grid point 15 (13/96) ======================= q-point: (-0.17 -0.03 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 7.407 -0.000 -16.804) 18.364 0.504 ( 12.994 -0.000 -12.096) 17.752 1.012 ( 24.776 -0.000 -23.386) 34.070 1.417 ( -0.317 0.000 -0.745) 0.809 1.628 ( 2.526 -0.000 -4.727) 5.359 2.252 ( 9.312 -0.000 6.206) 11.191 2.383 ( -0.746 0.000 -1.172) 1.389 2.505 ( 0.480 -0.000 -2.644) 2.687 2.784 ( -4.770 0.000 -0.081) 4.770 2.790 ( -0.625 -0.000 -4.750) 4.791 2.848 ( 1.407 -0.000 -7.670) 7.798 2.853 ( 10.969 -0.000 0.763) 10.996 3.310 ( 7.141 -0.000 -1.442) 7.285 3.344 ( 2.214 -0.000 -2.598) 3.414 3.656 ( -1.638 0.000 -1.802) 2.435 3.920 ( 1.424 -0.000 -1.361) 1.970 4.196 ( 4.333 -0.000 -5.423) 6.941 4.444 ( -0.436 0.000 -0.311) 0.535 4.611 ( -2.589 -0.000 -9.567) 9.911 4.911 ( -8.134 0.000 0.310) 8.139 5.039 ( 3.796 -0.000 -3.527) 5.181 5.163 ( -1.185 0.000 0.972) 1.532 5.360 ( 7.891 -0.000 -3.417) 8.599 5.523 ( -2.082 0.000 3.684) 4.231 5.888 ( 3.990 -0.000 2.030) 4.477 6.060 ( 2.323 -0.000 0.573) 2.392 6.163 ( -3.079 0.000 1.034) 3.248 6.191 ( 2.361 -0.000 -4.120) 4.749 6.663 ( 14.114 -0.000 17.572) 22.539 6.781 ( -1.590 0.000 3.420) 3.772 6.949 ( -13.124 0.000 7.149) 14.945 7.193 ( -2.776 0.000 6.268) 6.855 7.412 ( 3.529 -0.000 0.275) 3.540 7.946 ( -11.466 0.000 -3.395) 11.958 8.053 ( -8.452 0.000 1.380) 8.564 8.552 ( 1.804 -0.000 -8.926) 9.107 8.619 ( -3.986 0.000 2.599) 4.759 8.987 ( 2.246 0.000 11.337) 11.557 9.362 ( 12.236 -0.000 4.616) 13.078 10.304 ( 0.700 0.000 2.221) 2.329 10.609 ( -4.938 0.000 -0.304) 4.947 10.913 ( -7.796 0.000 -5.835) 9.738 ======================= Grid point 16 (14/96) ======================= q-point: (-0.17 -0.03 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 15.327 9.904 -0.094) 18.249 0.914 ( 8.630 14.549 -7.776) 18.618 1.420 ( 2.941 0.205 0.497) 2.990 1.497 ( 11.799 3.759 -9.489) 15.601 1.707 ( 5.985 1.443 -6.333) 8.832 2.389 ( 4.146 -0.316 4.639) 6.230 2.499 ( 3.549 -1.416 3.746) 5.351 2.530 ( 1.179 12.852 -1.055) 12.949 2.757 ( 0.831 2.085 -4.182) 4.747 2.837 ( 1.254 3.374 -1.418) 3.869 2.922 ( 2.780 5.529 -8.268) 10.327 3.193 ( 15.604 5.647 1.916) 16.704 3.407 ( 3.515 -2.818 -2.084) 4.963 3.413 ( 6.085 -1.552 2.988) 6.955 3.682 ( -0.471 6.323 -4.034) 7.515 4.068 ( 2.497 10.071 -0.547) 10.390 4.250 ( 3.565 -2.490 -5.375) 6.914 4.388 ( -4.626 -0.737 -0.910) 4.772 4.514 ( -2.126 -3.818 -5.680) 7.166 4.704 ( -8.367 -3.802 -0.537) 9.206 5.230 ( 9.589 1.947 3.344) 10.341 5.294 ( 0.390 9.311 0.548) 9.336 5.385 ( -1.823 -7.065 2.161) 7.610 5.541 ( 8.733 0.769 -3.099) 9.299 5.866 ( -1.020 -5.329 2.954) 6.177 6.069 ( -4.952 -0.871 -0.104) 5.029 6.157 ( 4.199 2.028 1.919) 5.043 6.338 ( 12.673 0.410 -5.119) 13.674 6.634 ( -10.154 -2.178 2.815) 10.760 6.682 ( -4.385 -4.833 2.893) 7.138 6.755 ( -2.880 -1.232 9.418) 9.925 7.157 ( -3.374 1.329 9.971) 10.609 7.495 ( 3.381 -1.281 -0.267) 3.625 7.624 ( -0.133 -9.546 -2.510) 9.871 8.015 ( -12.834 7.501 4.743) 15.603 8.468 ( -8.080 -2.104 -1.809) 8.544 8.608 ( 0.575 0.511 -2.433) 2.552 8.918 ( -4.517 -2.225 -2.059) 5.440 9.414 ( 1.514 -7.383 2.020) 7.803 10.212 ( 1.714 -21.054 -5.280) 21.774 10.428 ( 1.445 9.340 1.660) 9.595 10.991 ( -7.231 9.166 2.902) 12.031 ======================= Grid point 17 (15/96) ======================= q-point: (-0.17 -0.03 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 6.057 6.596 0.417) 8.965 1.361 ( 10.020 9.651 -6.060) 15.174 1.485 ( 2.347 2.243 2.282) 3.968 1.618 ( 1.136 0.330 -2.541) 2.803 1.882 ( 2.054 4.950 -0.064) 5.359 2.379 ( 2.055 -5.045 2.406) 5.955 2.551 ( -1.845 3.401 6.672) 7.713 2.779 ( 7.370 -0.568 -4.675) 8.746 2.911 ( 2.161 5.718 -3.961) 7.284 3.030 ( 5.252 13.581 1.132) 14.605 3.175 ( 4.386 12.881 -3.391) 14.023 3.324 ( -3.424 -1.098 0.095) 3.597 3.547 ( 9.287 2.180 4.107) 10.386 3.592 ( 10.177 2.269 3.432) 10.978 3.790 ( -1.387 6.023 -2.587) 6.700 4.200 ( -3.587 -0.802 1.633) 4.022 4.234 ( 2.610 -2.483 -4.414) 5.698 4.335 ( -4.283 2.384 -4.911) 6.939 4.475 ( -0.804 -7.394 -4.040) 8.464 4.522 ( 1.483 8.241 -0.384) 8.382 5.019 ( -5.308 -15.474 4.185) 16.886 5.348 ( -1.854 -6.670 3.477) 7.748 5.522 ( 1.719 7.990 -0.350) 8.180 5.698 ( 4.105 2.259 0.030) 4.685 5.826 ( 5.622 -1.759 0.404) 5.904 5.963 ( -1.873 -1.227 -0.785) 2.373 6.257 ( -0.181 4.660 1.208) 4.817 6.403 ( -6.367 -1.448 0.998) 6.606 6.480 ( -4.086 -5.377 2.149) 7.087 6.552 ( 3.142 -4.715 -0.546) 5.693 6.859 ( 15.452 3.708 4.527) 16.523 7.085 ( -8.862 2.894 7.500) 11.965 7.358 ( -1.933 -3.452 -2.713) 4.798 7.726 ( 8.568 2.537 -0.848) 8.976 7.799 ( -14.470 -1.711 3.253) 14.930 8.218 ( -9.584 -5.529 -0.652) 11.084 8.610 ( -1.566 1.109 -3.290) 3.809 8.791 ( -3.408 -2.245 -9.174) 10.041 9.285 ( -0.026 -4.603 1.317) 4.787 9.891 ( 3.153 -19.492 -2.512) 19.904 10.661 ( 2.870 10.118 1.457) 10.618 10.965 ( -6.268 2.963 2.933) 7.528 ======================= Grid point 18 (16/96) ======================= q-point: (-0.17 -0.03 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -1.931 3.068 0.400) 3.647 1.484 ( 1.263 -4.961 -4.218) 6.633 1.594 ( 0.863 0.435 -0.371) 1.036 1.637 ( 0.973 -2.020 -1.421) 2.655 2.008 ( -2.708 11.881 4.289) 12.918 2.294 ( 3.488 -10.097 3.242) 11.163 2.547 ( -7.080 4.678 2.142) 8.752 2.807 ( 5.374 -7.747 1.925) 9.623 3.032 ( -3.962 1.416 -1.843) 4.593 3.129 ( 2.732 0.455 -5.101) 5.804 3.334 ( -10.140 8.416 -0.428) 13.185 3.519 ( -0.840 7.281 6.832) 10.020 3.623 ( 0.610 0.247 5.210) 5.251 3.754 ( 9.764 -1.945 3.818) 10.663 3.956 ( 3.922 6.682 -5.631) 9.578 4.157 ( 1.492 -5.629 -1.836) 6.106 4.218 ( -0.213 -3.997 -8.360) 9.269 4.294 ( 5.046 -9.624 -2.299) 11.107 4.341 ( -1.265 10.681 0.962) 10.799 4.566 ( -2.077 -10.326 2.097) 10.740 4.925 ( 3.465 13.361 1.794) 13.919 5.043 ( -8.372 -9.648 0.065) 12.774 5.660 ( -5.042 -2.802 2.149) 6.155 5.724 ( 3.668 0.635 0.619) 3.774 5.823 ( -4.158 5.083 -0.937) 6.633 5.997 ( 3.844 -4.674 0.627) 6.084 6.302 ( -4.014 3.440 -1.529) 5.503 6.341 ( -1.719 3.473 1.615) 4.199 6.395 ( 2.033 -0.688 0.775) 2.281 6.472 ( 1.368 -4.872 0.474) 5.083 6.881 ( -14.693 1.177 9.429) 17.498 7.130 ( 3.321 3.022 4.020) 6.027 7.402 ( -5.085 -4.122 0.104) 6.547 7.617 ( 11.464 1.723 -5.338) 12.763 7.907 ( -2.935 0.265 2.913) 4.144 8.012 ( 7.685 0.453 -2.518) 8.100 8.618 ( -1.816 3.611 -5.970) 7.210 8.712 ( -0.538 -1.544 -8.947) 9.095 9.306 ( 0.850 6.121 1.002) 6.261 9.597 ( 3.306 -17.992 -0.295) 18.296 10.853 ( -3.916 2.783 3.163) 5.752 10.924 ( 4.010 3.455 0.564) 5.322 ======================= Grid point 20 (17/96) ======================= q-point: (-0.17 -0.03 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -9.830 -4.471 -2.922) 11.187 1.295 ( -4.555 -10.707 -1.398) 11.719 1.492 ( -3.809 -3.528 0.582) 5.224 1.617 ( -0.534 -0.273 0.981) 1.149 2.093 ( 0.719 -14.577 0.814) 14.617 2.212 ( 0.303 7.973 -0.784) 8.017 2.393 ( -15.376 3.005 0.656) 15.681 2.757 ( 2.488 -3.983 4.645) 6.606 2.959 ( 0.497 -3.105 -6.118) 6.879 3.076 ( -9.660 -4.030 0.888) 10.504 3.256 ( -0.863 -0.260 -1.372) 1.642 3.414 ( -5.625 -1.676 3.763) 6.972 3.569 ( 1.384 -13.644 -0.886) 13.743 3.653 ( -1.239 -19.303 1.328) 19.388 3.967 ( -0.250 -8.589 -5.109) 9.997 4.116 ( -1.325 5.416 -2.887) 6.279 4.240 ( 4.123 1.585 -3.506) 5.639 4.372 ( 6.951 3.085 -5.249) 9.240 4.496 ( 4.730 -0.049 2.426) 5.316 4.643 ( -0.315 1.166 -0.521) 1.315 4.786 ( -1.232 9.397 3.713) 10.179 5.217 ( -1.195 8.381 4.267) 9.481 5.457 ( -7.292 -2.321 -1.233) 7.751 5.646 ( -6.433 0.837 1.391) 6.634 5.869 ( 1.127 -9.120 1.304) 9.281 5.964 ( 2.245 4.151 -0.970) 4.818 6.221 ( -12.651 1.108 1.020) 12.741 6.347 ( -1.666 -1.261 0.355) 2.119 6.415 ( 1.639 6.405 0.617) 6.640 6.556 ( 4.322 1.824 1.153) 4.830 6.700 ( -2.320 1.698 9.068) 9.513 7.170 ( -4.251 4.178 -5.262) 7.950 7.345 ( 8.168 -2.614 5.975) 10.453 7.574 ( -8.450 -1.695 -1.870) 8.819 8.107 ( 10.631 2.453 5.984) 12.443 8.299 ( 10.678 5.871 -0.478) 12.195 8.624 ( -1.564 0.393 -5.349) 5.587 8.786 ( 3.495 6.572 -12.840) 14.842 9.374 ( 2.615 -10.921 2.780) 11.568 9.513 ( 1.055 12.139 -1.382) 12.263 10.744 ( -2.913 -4.364 1.205) 5.384 11.113 ( 6.810 2.372 3.202) 7.890 ======================= Grid point 21 (18/96) ======================= q-point: (-0.17 -0.03 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -13.158 -12.302 -3.075) 18.274 0.933 ( -9.257 -13.457 -5.740) 17.313 1.406 ( -1.242 -0.707 -0.588) 1.545 1.590 ( -0.301 -5.932 0.081) 5.940 1.683 ( -4.831 -18.979 -9.503) 21.768 2.167 ( -10.910 3.409 1.926) 11.592 2.375 ( 0.426 6.153 -2.878) 6.806 2.750 ( 2.140 -2.638 2.899) 4.465 2.800 ( -4.390 -7.604 0.627) 8.803 2.916 ( 1.000 -3.798 -6.813) 7.864 3.084 ( -4.927 -13.611 1.294) 14.533 3.211 ( -0.729 -16.749 -3.778) 17.186 3.299 ( -4.312 -1.309 0.586) 4.544 3.420 ( 2.839 -8.183 -2.531) 9.024 3.760 ( -4.381 -5.469 -5.503) 8.909 4.159 ( -0.586 0.752 -3.440) 3.570 4.264 ( -0.783 -11.617 -1.369) 11.723 4.434 ( 3.036 1.274 -1.654) 3.685 4.560 ( 5.768 0.003 -4.270) 7.176 4.730 ( 4.303 6.476 -1.476) 7.914 5.050 ( -10.914 -2.481 3.979) 11.879 5.172 ( 1.645 17.197 4.537) 17.861 5.309 ( -6.105 0.262 -3.533) 7.059 5.668 ( 1.988 -10.906 2.682) 11.406 5.731 ( -0.799 7.032 1.269) 7.190 6.024 ( -6.052 0.547 0.217) 6.080 6.084 ( 1.749 3.588 0.882) 4.088 6.299 ( -0.497 -1.260 -0.628) 1.493 6.556 ( -8.318 3.225 11.679) 14.697 6.598 ( 1.585 8.119 2.337) 8.596 6.876 ( 10.562 3.436 4.983) 12.174 7.198 ( 1.161 1.164 -1.226) 2.050 7.416 ( -4.170 -0.498 -0.556) 4.236 7.496 ( 3.669 4.845 -2.616) 6.616 8.242 ( 1.158 1.225 9.133) 9.287 8.552 ( 5.009 4.172 2.599) 7.018 8.611 ( -0.399 0.953 -5.776) 5.868 8.989 ( 5.043 2.104 -7.994) 9.683 9.295 ( -0.286 -1.068 4.339) 4.478 9.757 ( -1.930 15.283 -9.198) 17.941 10.586 ( -0.893 -8.604 0.935) 8.700 11.261 ( 6.977 -1.046 6.589) 9.654 ======================= Grid point 22 (19/96) ======================= q-point: ( 0.24 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.000 12.033 8.985) 15.018 0.845 ( -0.000 18.891 3.003) 19.128 1.393 ( 0.000 -1.104 0.978) 1.475 1.587 ( -0.000 9.344 0.068) 9.344 1.635 ( -0.000 19.672 10.227) 22.172 2.052 ( 0.000 -3.364 -1.830) 3.830 2.383 ( 0.000 -5.840 3.911) 7.028 2.736 ( -0.000 0.448 -1.157) 1.241 2.785 ( -0.000 5.387 -4.239) 6.855 2.927 ( 0.000 4.359 6.350) 7.702 3.039 ( -0.000 18.100 -0.304) 18.103 3.211 ( -0.000 15.253 4.766) 15.980 3.251 ( -0.000 1.901 0.955) 2.127 3.462 ( -0.000 12.671 4.043) 13.301 3.700 ( 0.000 1.918 4.202) 4.619 4.157 ( 0.000 -0.473 2.865) 2.904 4.249 ( -0.000 13.860 0.740) 13.880 4.483 ( 0.000 -3.946 1.907) 4.383 4.640 ( -0.000 7.563 -0.235) 7.567 4.756 ( 0.000 -7.905 10.979) 13.529 4.923 ( -0.000 -1.816 -6.433) 6.684 5.192 ( 0.000 -17.903 -5.120) 18.620 5.242 ( 0.000 -0.222 3.823) 3.829 5.703 ( -0.000 11.773 -4.273) 12.524 5.711 ( 0.000 -8.237 -0.761) 8.272 5.974 ( 0.000 -1.569 -0.361) 1.610 6.103 ( 0.000 -3.786 -1.374) 4.027 6.291 ( 0.000 -2.641 -0.887) 2.786 6.444 ( -0.000 3.413 -11.196) 11.705 6.613 ( 0.000 -8.335 -1.960) 8.562 6.999 ( 0.000 -5.151 -4.340) 6.735 7.219 ( 0.000 -1.425 2.963) 3.287 7.367 ( 0.000 0.094 0.566) 0.573 7.540 ( 0.000 -4.702 2.815) 5.480 8.232 ( -0.000 -2.612 -10.509) 10.829 8.596 ( -0.000 -4.412 -4.298) 6.159 8.605 ( 0.000 -2.903 7.069) 7.642 9.042 ( 0.000 -1.746 7.359) 7.564 9.291 ( -0.000 4.431 -4.757) 6.501 9.743 ( 0.000 -11.976 11.507) 16.608 10.577 ( -0.000 8.412 -0.869) 8.457 11.337 ( -0.000 -0.915 -8.060) 8.112 ======================= Grid point 23 (20/96) ======================= q-point: ( 0.24 -0.04 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 11.298 9.940 2.561) 15.264 1.221 ( 2.690 15.441 -0.812) 15.695 1.416 ( 3.500 1.189 -0.206) 3.702 1.608 ( 0.327 0.488 -3.752) 3.797 2.082 ( 5.093 4.966 0.353) 7.122 2.132 ( 6.128 11.990 0.841) 13.491 2.234 ( -1.279 -7.890 4.075) 8.971 2.783 ( 0.554 1.368 -3.580) 3.872 2.883 ( 6.795 2.179 -3.478) 7.939 3.002 ( -2.227 5.509 4.864) 7.679 3.266 ( -0.976 4.588 0.118) 4.692 3.334 ( 3.030 2.932 -1.769) 4.573 3.581 ( -0.785 17.021 3.164) 17.330 3.666 ( -2.545 17.667 1.989) 17.960 3.892 ( 6.540 9.034 6.323) 12.820 4.102 ( 0.228 -5.263 2.146) 5.688 4.348 ( -6.234 0.081 -0.123) 6.236 4.493 ( 0.084 2.695 0.361) 2.721 4.548 ( -6.153 0.521 3.382) 7.041 4.663 ( -2.788 -0.493 2.274) 3.631 4.794 ( -1.124 -20.715 -5.489) 21.459 5.099 ( 10.144 -0.349 -4.672) 11.174 5.332 ( 5.307 3.379 2.399) 6.733 5.559 ( 2.312 -5.892 -1.264) 6.455 5.891 ( -1.195 9.536 -1.529) 9.732 5.996 ( -0.454 -5.202 0.965) 5.310 6.023 ( 5.723 -0.180 -0.758) 5.776 6.292 ( 4.073 -1.534 0.410) 4.372 6.443 ( -1.083 -7.531 0.012) 7.609 6.519 ( 3.597 -0.806 -10.633) 11.254 6.805 ( -7.943 -4.083 -3.511) 9.596 7.151 ( -1.368 -3.630 7.384) 8.341 7.433 ( 5.721 0.935 1.375) 5.958 7.468 ( -4.455 1.507 -4.430) 6.461 8.189 ( 0.644 -4.110 -8.653) 9.601 8.453 ( -4.372 -6.030 -0.724) 7.483 8.589 ( 1.905 -0.926 6.003) 6.365 8.862 ( -4.070 -10.226 14.682) 18.349 9.420 ( -1.871 11.190 -4.207) 12.100 9.577 ( -4.570 -4.232 1.811) 6.486 10.703 ( 1.402 3.494 -0.912) 3.874 11.231 ( -4.857 -3.971 -3.841) 7.356 ======================= Grid point 24 (21/96) ======================= q-point: ( 0.24 -0.04 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 3.797 1.726 -3.133) 5.216 1.459 ( 2.941 4.955 1.968) 6.089 1.581 ( 1.840 5.502 -1.417) 5.973 1.645 ( 0.992 3.328 -1.232) 3.684 1.990 ( -1.282 -11.668 -0.147) 11.739 2.278 ( 9.432 -0.243 0.221) 9.438 2.438 ( 0.199 9.838 -3.876) 10.576 2.828 ( 1.519 2.824 -5.500) 6.367 3.032 ( -3.313 4.541 2.815) 6.286 3.088 ( 9.940 -1.560 0.690) 10.086 3.224 ( -3.030 -4.784 5.264) 7.732 3.438 ( 4.246 1.182 -7.275) 8.506 3.663 ( -1.537 -7.410 -6.888) 10.233 3.872 ( -1.400 4.488 -1.318) 4.883 4.057 ( -5.768 1.116 6.119) 8.482 4.171 ( 1.105 7.775 5.543) 9.613 4.237 ( -3.130 0.586 2.963) 4.350 4.357 ( -2.857 -7.566 0.902) 8.138 4.425 ( -7.433 6.944 -3.437) 10.737 4.550 ( -0.706 4.184 -0.711) 4.302 4.853 ( 9.888 4.411 2.297) 11.068 4.980 ( -1.140 -13.909 -1.473) 14.033 5.556 ( 5.257 7.267 -1.236) 9.054 5.681 ( 6.251 3.323 -2.188) 7.410 5.816 ( -2.012 -8.995 0.654) 9.241 6.036 ( -0.437 5.996 -1.273) 6.145 6.184 ( 8.713 -2.114 0.778) 9.000 6.316 ( 0.263 -3.107 0.531) 3.163 6.384 ( 3.298 1.578 0.718) 3.726 6.543 ( -3.497 0.342 -1.610) 3.865 6.666 ( 4.738 -1.591 -9.045) 10.334 7.071 ( 3.055 -5.638 6.443) 9.090 7.444 ( -4.791 6.360 -7.751) 11.113 7.607 ( 8.072 1.654 1.643) 8.402 8.029 ( -9.085 -5.384 -3.865) 11.246 8.203 ( -10.446 -3.912 4.079) 11.877 8.592 ( 0.907 -3.878 6.198) 7.367 8.674 ( 2.874 -3.913 11.049) 12.069 9.378 ( -6.405 -1.642 -1.531) 6.787 9.662 ( -3.484 17.849 -0.436) 18.191 10.770 ( 3.781 -1.573 -2.611) 4.857 11.026 ( -5.552 -6.432 -0.623) 8.519 ======================= Grid point 25 (22/96) ======================= q-point: ( 0.24 -0.04 -0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -2.061 -2.992 -4.558) 5.829 1.498 ( -1.787 -4.487 1.329) 5.009 1.560 ( -5.815 -7.884 -0.393) 9.804 1.646 ( -2.529 4.547 5.117) 7.298 1.882 ( 1.563 -0.599 -3.338) 3.735 2.391 ( 2.821 -0.384 -2.837) 4.019 2.528 ( -1.823 3.365 -5.255) 6.500 2.871 ( -1.066 -8.124 1.726) 8.373 2.978 ( -1.237 -7.009 1.477) 7.269 3.034 ( -2.627 -3.666 3.823) 5.912 3.212 ( 7.966 -0.949 0.688) 8.051 3.335 ( -7.933 -6.880 -6.072) 12.130 3.610 ( 4.736 -0.391 -6.929) 8.402 3.759 ( -11.597 -1.124 -2.297) 11.876 3.886 ( -7.625 -3.110 4.758) 9.511 4.093 ( 5.264 -5.087 -5.353) 9.069 4.294 ( -3.962 2.093 2.772) 5.269 4.319 ( -2.080 3.120 5.358) 6.540 4.505 ( -3.000 7.556 5.276) 9.691 4.562 ( -2.350 -8.035 0.495) 8.386 4.909 ( 5.947 11.660 -3.025) 13.434 5.221 ( 10.084 9.724 0.023) 14.009 5.542 ( -0.765 -12.436 -0.491) 12.470 5.758 ( -0.719 2.765 -2.056) 3.520 5.823 ( 2.952 3.180 0.527) 4.371 6.052 ( -6.562 1.420 -1.467) 6.873 6.225 ( 2.964 -4.051 0.680) 5.066 6.314 ( 2.297 -0.142 1.335) 2.661 6.426 ( 0.753 2.578 -0.844) 2.815 6.552 ( 1.522 3.253 0.005) 3.591 6.866 ( 12.289 -0.138 -7.750) 14.529 7.067 ( 3.443 -3.409 -3.929) 6.238 7.389 ( -11.434 -4.157 3.337) 12.616 7.648 ( 0.478 2.992 -2.097) 3.684 7.857 ( -1.779 -2.333 -2.899) 4.125 8.079 ( 1.551 5.176 5.884) 7.989 8.567 ( 2.733 -1.884 3.927) 5.142 8.727 ( 3.745 0.843 8.887) 9.681 9.315 ( -3.556 5.691 -1.393) 6.854 9.942 ( -2.315 17.241 1.992) 17.509 10.712 ( -1.542 -10.245 -3.644) 10.983 10.876 ( 2.239 -2.435 -0.022) 3.308 ======================= Grid point 26 (23/96) ======================= q-point: ( 0.24 -0.04 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -7.039 -14.598 3.598) 16.601 1.155 ( -13.495 -4.714 -3.324) 14.676 1.456 ( -2.014 -1.019 -3.167) 3.889 1.662 ( -5.429 4.451 7.303) 10.130 1.833 ( -5.202 -2.310 4.960) 7.550 2.409 ( 0.756 -0.843 -5.155) 5.277 2.534 ( -0.610 -1.788 -6.716) 6.976 2.576 ( -3.256 -9.308 2.751) 10.238 2.742 ( 1.569 -14.331 -1.311) 14.476 2.968 ( -7.909 5.106 3.546) 10.059 3.054 ( -11.686 -1.504 7.838) 14.152 3.404 ( 3.808 5.645 0.648) 6.841 3.487 ( -13.789 -3.389 -2.741) 14.461 3.571 ( -8.322 -0.518 -3.772) 9.151 3.676 ( -1.426 -6.221 2.353) 6.802 4.112 ( -2.012 -9.390 0.048) 9.603 4.241 ( 10.530 -0.913 -3.253) 11.058 4.320 ( -3.720 3.022 4.761) 6.756 4.501 ( -0.412 4.175 2.441) 4.853 4.598 ( 1.035 4.553 6.542) 8.037 5.251 ( 1.636 -9.872 -0.835) 10.041 5.259 ( 4.990 6.136 -4.531) 9.114 5.501 ( -5.794 3.872 -0.552) 6.991 5.698 ( -6.495 1.148 1.072) 6.682 5.866 ( -2.421 2.135 -2.052) 3.825 5.971 ( 3.308 -0.399 0.866) 3.442 6.190 ( -0.211 -2.407 0.880) 2.572 6.429 ( 8.489 1.179 -0.749) 8.603 6.577 ( 5.517 4.676 -3.057) 7.852 6.622 ( -3.775 2.634 -0.299) 4.612 6.777 ( -13.503 -4.278 -1.011) 14.200 7.052 ( 7.014 -0.998 -8.144) 10.795 7.422 ( 12.141 3.191 0.634) 12.569 7.650 ( -1.707 -4.106 -0.157) 4.449 7.852 ( 1.635 2.457 -5.528) 6.266 8.297 ( 8.981 2.824 2.408) 9.718 8.600 ( 1.606 -0.049 1.909) 2.495 8.837 ( 3.700 2.824 6.570) 8.051 9.423 ( -0.306 7.884 -0.254) 7.894 10.214 ( 1.247 13.472 2.848) 13.827 10.466 ( -2.528 -9.336 -2.251) 9.931 10.890 ( 3.493 -4.337 -1.703) 5.823 ======================= Grid point 27 (24/96) ======================= q-point: ( 0.24 -0.04 -0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -10.502 0.000 9.423) 14.110 0.811 ( -16.851 0.000 1.765) 16.944 1.419 ( -0.738 0.000 -1.774) 1.921 1.473 ( -20.410 0.000 14.889) 25.264 1.690 ( -3.784 0.000 5.577) 6.740 2.374 ( 0.156 0.000 0.599) 0.619 2.401 ( -5.411 0.000 -8.402) 9.994 2.534 ( -1.903 0.000 -0.888) 2.100 2.673 ( 5.964 -0.000 -0.360) 5.975 2.845 ( -7.546 0.000 9.021) 11.761 2.899 ( -4.071 0.000 5.849) 7.126 3.126 ( -16.271 0.000 -1.366) 16.328 3.420 ( -6.568 0.000 -1.820) 6.815 3.463 ( -6.779 0.000 2.011) 7.071 3.606 ( 3.751 -0.000 2.893) 4.738 3.962 ( -2.567 0.000 0.582) 2.632 4.280 ( -4.011 0.000 4.424) 5.972 4.392 ( 4.828 -0.000 0.996) 4.930 4.570 ( 1.287 0.000 6.704) 6.826 4.742 ( 8.601 -0.000 1.082) 8.669 5.132 ( 1.915 -0.000 -0.790) 2.071 5.234 ( -13.988 0.000 -1.018) 14.025 5.467 ( 3.279 -0.000 -2.620) 4.197 5.540 ( -9.850 0.000 3.699) 10.521 5.918 ( 0.729 -0.000 -3.976) 4.042 6.074 ( 6.059 -0.000 -0.051) 6.059 6.138 ( -3.085 0.000 -0.461) 3.119 6.332 ( -14.494 0.000 5.625) 15.547 6.654 ( 11.724 -0.000 -3.086) 12.124 6.736 ( 2.922 -0.000 -3.286) 4.398 6.764 ( 5.505 -0.000 -9.550) 11.023 7.143 ( 3.430 -0.000 -10.877) 11.405 7.501 ( -5.448 0.000 0.394) 5.463 7.813 ( 15.980 -0.000 -1.146) 16.021 7.854 ( 0.177 -0.000 -2.218) 2.225 8.487 ( 7.564 -0.000 2.938) 8.114 8.603 ( -1.152 0.000 1.939) 2.256 8.946 ( 3.963 -0.000 -0.561) 4.002 9.496 ( -2.423 0.000 -2.737) 3.655 10.325 ( -1.477 0.000 -2.218) 2.665 10.486 ( 7.135 -0.000 0.948) 7.197 10.838 ( 0.923 -0.000 2.111) 2.304 ======================= Grid point 28 (25/96) ======================= q-point: ( 0.24 -0.04 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -12.243 11.692 5.095) 17.679 0.720 ( -12.302 11.760 11.946) 20.793 1.184 ( -13.126 18.736 18.030) 29.128 1.419 ( -0.678 0.522 1.092) 1.387 1.627 ( -2.500 -0.132 4.237) 4.921 2.224 ( -10.119 -2.455 -3.963) 11.142 2.464 ( -0.087 -3.333 2.376) 4.094 2.534 ( 1.436 13.702 -0.405) 13.783 2.757 ( 0.564 -0.981 1.859) 2.177 2.858 ( 0.599 2.678 6.683) 7.225 2.906 ( -3.836 7.331 0.933) 8.326 2.942 ( -4.257 9.903 0.766) 10.807 3.296 ( -5.661 -0.820 1.285) 5.863 3.344 ( -2.470 1.101 2.826) 3.912 3.683 ( -0.324 2.805 3.150) 4.230 4.024 ( -1.685 10.283 0.948) 10.463 4.183 ( -2.994 -0.886 5.364) 6.207 4.459 ( 3.079 0.344 1.567) 3.472 4.562 ( 1.685 -2.026 6.110) 6.654 4.852 ( 5.943 -5.406 2.185) 8.326 5.026 ( -7.312 -0.121 -0.211) 7.316 5.300 ( -1.821 3.277 1.892) 4.199 5.421 ( -0.821 9.109 -1.874) 9.336 5.434 ( 1.910 -7.356 -3.984) 8.581 5.855 ( -2.719 -4.107 -1.843) 5.259 6.042 ( -3.750 -1.372 -0.474) 4.021 6.138 ( 2.064 -2.126 -1.014) 3.132 6.245 ( 0.318 3.980 2.363) 4.640 6.624 ( -12.606 -3.563 -15.082) 19.976 6.729 ( 1.756 -5.306 -3.255) 6.468 6.929 ( 12.508 -2.077 -6.506) 14.251 7.200 ( 2.120 0.524 -4.758) 5.236 7.412 ( -3.755 0.059 0.022) 3.755 7.669 ( 4.054 -13.884 8.032) 16.544 8.218 ( 6.369 4.746 -7.596) 10.990 8.591 ( 3.978 1.529 9.086) 10.036 8.612 ( 2.427 -0.304 -3.915) 4.616 8.985 ( 1.315 0.439 -5.706) 5.872 9.330 ( -7.451 -2.870 -3.667) 8.786 10.157 ( -3.148 -26.874 14.431) 30.666 10.408 ( -0.656 9.021 -1.452) 9.160 11.166 ( 10.020 10.291 -6.845) 15.911 ======================= Grid point 29 (26/96) ======================= q-point: (-0.34 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.000 -5.156 -11.972) 13.035 0.999 ( -0.000 -10.198 -12.611) 16.218 1.421 ( -0.000 2.384 -1.809) 2.993 1.581 ( -0.000 1.164 -0.636) 1.327 1.848 ( 0.000 -15.767 -9.539) 18.428 2.004 ( 0.000 2.316 3.002) 3.792 2.475 ( -0.000 5.389 -5.597) 7.770 2.724 ( 0.000 -0.165 0.211) 0.268 2.736 ( 0.000 -3.384 -0.034) 3.384 3.070 ( -0.000 -2.152 -8.292) 8.567 3.089 ( 0.000 -14.744 -5.316) 15.673 3.277 ( -0.000 2.526 -1.715) 3.053 3.285 ( 0.000 -18.352 -2.648) 18.542 3.583 ( 0.000 -11.812 -9.084) 14.901 3.793 ( -0.000 -4.311 -4.665) 6.352 4.246 ( -0.000 3.709 -6.078) 7.121 4.276 ( 0.000 -12.250 -2.293) 12.463 4.534 ( -0.000 8.645 -2.379) 8.966 4.628 ( 0.000 -10.434 1.462) 10.536 4.773 ( 0.000 2.812 8.232) 8.699 4.921 ( -0.000 7.848 -3.815) 8.726 5.060 ( -0.000 19.315 7.617) 20.763 5.337 ( -0.000 0.979 -6.004) 6.083 5.638 ( 0.000 -14.133 1.021) 14.170 5.691 ( -0.000 8.959 1.229) 9.043 5.965 ( -0.000 1.064 0.539) 1.192 6.094 ( -0.000 3.048 -1.094) 3.239 6.264 ( -0.000 2.143 1.947) 2.896 6.324 ( 0.000 -1.335 2.414) 2.758 6.560 ( -0.000 6.194 3.624) 7.176 6.867 ( 0.000 1.865 7.889) 8.107 7.210 ( 0.000 -3.973 3.229) 5.120 7.380 ( -0.000 -0.446 -0.706) 0.835 7.587 ( -0.000 9.739 -1.651) 9.878 8.055 ( 0.000 1.388 7.401) 7.530 8.515 ( 0.000 2.900 4.358) 5.235 8.693 ( -0.000 2.176 -1.960) 2.929 8.980 ( 0.000 -13.048 11.423) 17.341 9.356 ( -0.000 1.424 -8.495) 8.613 9.956 ( -0.000 20.704 -9.754) 22.887 10.556 ( 0.000 -9.183 1.233) 9.266 11.179 ( 0.000 -2.467 7.449) 7.847 ======================= Grid point 30 (27/96) ======================= q-point: (-0.34 -0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 3.680 -3.535 -14.936) 15.783 0.981 ( 8.129 -9.329 -14.100) 18.760 1.441 ( -1.042 0.530 -3.800) 3.976 1.516 ( 6.796 -5.914 -12.246) 15.203 1.749 ( 3.666 -1.210 -8.516) 9.350 2.140 ( 8.729 0.869 4.314) 9.775 2.515 ( -2.043 -2.750 -2.650) 4.331 2.565 ( -0.702 -5.997 -4.110) 7.304 2.797 ( 4.653 2.337 -1.546) 5.432 2.921 ( -3.987 -12.145 -0.110) 12.783 2.949 ( 2.739 -5.158 -5.003) 7.690 3.062 ( 2.061 -1.876 -10.567) 10.929 3.357 ( 2.166 3.063 -4.521) 5.875 3.456 ( 0.436 -0.114 -9.013) 9.025 3.757 ( 2.770 -5.580 -4.095) 7.455 4.058 ( 0.375 -9.539 -2.669) 9.912 4.318 ( 2.538 1.646 -8.158) 8.700 4.464 ( -0.581 -3.557 1.066) 3.759 4.685 ( -2.436 7.645 -5.637) 9.806 4.772 ( -4.615 2.284 8.201) 9.683 5.069 ( 1.585 4.902 -0.538) 5.180 5.303 ( -1.942 -6.115 2.156) 6.769 5.336 ( -0.858 4.604 3.466) 5.826 5.472 ( 7.464 -1.557 -6.783) 10.205 5.817 ( 0.293 4.068 1.636) 4.394 6.028 ( 3.631 1.286 0.921) 3.961 6.133 ( -1.025 1.501 -0.701) 1.948 6.303 ( 3.220 -1.128 -3.745) 5.066 6.423 ( 9.268 1.711 6.826) 11.637 6.648 ( -1.646 4.538 5.056) 6.990 6.778 ( -10.131 0.451 8.599) 13.296 7.099 ( -4.325 -2.728 5.985) 7.872 7.417 ( 4.094 -0.466 -0.516) 4.153 7.729 ( -6.117 11.576 0.080) 13.093 8.085 ( -3.159 -2.236 6.200) 7.309 8.513 ( -2.582 0.147 5.876) 6.420 8.727 ( -0.781 0.607 -3.851) 3.976 8.780 ( 4.575 -6.718 13.232) 15.529 9.380 ( 1.415 2.211 -6.116) 6.656 10.305 ( -0.570 5.651 0.869) 5.746 10.420 ( -0.831 5.249 -5.187) 7.427 11.042 ( -5.404 -6.001 5.750) 9.913 ======================= Grid point 31 (28/96) ======================= q-point: (-0.34 -0.06 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 3.955 -0.000 -10.703) 11.411 0.937 ( 8.118 -0.000 -10.886) 13.580 1.413 ( -1.514 0.000 -1.337) 2.020 1.753 ( 14.116 -0.000 -12.105) 18.595 1.799 ( 3.418 -0.000 -5.449) 6.433 2.269 ( 2.992 -0.000 4.418) 5.335 2.388 ( -1.598 0.000 -0.794) 1.785 2.552 ( -0.666 -0.000 -3.141) 3.211 2.663 ( -5.757 0.000 0.770) 5.808 2.942 ( 6.437 -0.000 -4.488) 7.847 3.094 ( 15.345 -0.000 1.829) 15.454 3.106 ( 4.604 -0.000 -12.469) 13.292 3.425 ( 2.154 -0.000 -2.553) 3.340 3.544 ( 4.331 -0.000 -6.158) 7.529 3.679 ( -3.201 0.000 -4.382) 5.427 3.979 ( 1.715 -0.000 -1.299) 2.152 4.380 ( -7.822 0.000 2.527) 8.220 4.387 ( 2.085 -0.000 -6.167) 6.510 4.654 ( -5.234 0.000 0.793) 5.294 4.775 ( -0.322 -0.000 -4.549) 4.560 5.111 ( -1.509 0.000 1.418) 2.071 5.213 ( 6.226 -0.000 2.358) 6.658 5.408 ( 1.522 -0.000 2.767) 3.158 5.634 ( 8.007 -0.000 -5.789) 9.880 5.848 ( -1.040 0.000 2.719) 2.911 6.087 ( -4.179 0.000 -1.803) 4.551 6.131 ( 5.018 -0.000 0.418) 5.036 6.449 ( 12.321 -0.000 -6.087) 13.743 6.556 ( -5.802 0.000 8.960) 10.675 6.582 ( -1.839 0.000 5.276) 5.587 6.659 ( -2.061 0.000 4.186) 4.666 6.972 ( -4.984 0.000 7.407) 8.927 7.513 ( 5.723 -0.000 -0.945) 5.800 7.775 ( -15.573 0.000 2.953) 15.851 7.801 ( -2.632 0.000 2.744) 3.802 8.443 ( -5.579 0.000 4.819) 7.372 8.696 ( -2.554 0.000 -3.105) 4.020 8.874 ( 5.863 -0.000 5.954) 8.356 9.471 ( 2.880 -0.000 -0.623) 2.946 10.270 ( 1.693 -0.000 3.406) 3.803 10.508 ( -6.288 0.000 -1.266) 6.414 10.865 ( -3.037 0.000 -0.580) 3.092 ======================= Grid point 32 (29/96) ======================= q-point: (-0.34 -0.06 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 8.966 6.693 0.341) 11.193 1.146 ( 0.961 13.198 -5.267) 14.242 1.416 ( 0.274 1.751 0.656) 1.890 1.799 ( 4.802 -5.903 -6.256) 9.851 1.907 ( 1.315 -2.820 -1.690) 3.541 2.313 ( -0.686 3.299 4.063) 5.279 2.440 ( -0.197 1.302 1.945) 2.349 2.624 ( 2.926 12.172 -2.475) 12.761 2.732 ( -2.925 14.195 0.438) 14.500 3.041 ( 7.883 -4.002 -3.790) 9.618 3.183 ( 2.315 -2.158 -4.676) 5.646 3.387 ( 2.595 -5.518 2.281) 6.511 3.429 ( 9.193 2.072 1.614) 9.561 3.575 ( 2.629 0.701 -3.781) 4.659 3.734 ( 1.748 5.970 -3.712) 7.244 4.107 ( -1.767 6.217 1.476) 6.630 4.166 ( -9.595 4.068 3.412) 10.966 4.414 ( 1.403 0.002 -4.114) 4.346 4.539 ( -1.647 -4.705 -0.994) 5.083 4.734 ( 2.796 -5.253 -6.513) 8.822 5.143 ( -3.183 -9.010 6.749) 11.699 5.235 ( -0.740 10.579 0.757) 10.632 5.493 ( 5.789 -4.752 0.495) 7.506 5.720 ( 2.523 -1.377 -1.183) 3.108 5.830 ( 2.014 -0.161 1.120) 2.310 6.009 ( -2.605 -0.355 -2.716) 3.780 6.206 ( 1.978 0.606 -0.638) 2.165 6.396 ( -4.956 -0.998 2.602) 5.685 6.511 ( -2.990 -4.109 3.003) 5.903 6.605 ( 0.213 -0.562 1.209) 1.350 6.772 ( 14.823 0.234 -0.387) 14.830 6.912 ( -4.633 2.405 4.658) 6.996 7.429 ( -9.016 -1.368 0.256) 9.122 7.638 ( -1.994 3.606 1.046) 4.251 7.787 ( 0.282 -0.682 1.269) 1.468 8.298 ( -5.588 -3.255 1.598) 6.661 8.659 ( -1.587 0.770 -2.323) 2.917 8.911 ( 0.181 -1.705 -0.775) 1.882 9.422 ( 0.324 -7.772 -0.179) 7.780 10.274 ( -1.065 -13.190 -2.250) 13.422 10.419 ( 1.048 10.699 1.602) 10.869 10.857 ( -2.291 2.364 1.451) 3.598 ======================= Grid point 33 (30/96) ======================= q-point: ( 0.66 -0.06 -0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -3.048 5.976 1.262) 6.826 1.475 ( 1.273 2.890 2.440) 3.991 1.548 ( 1.256 16.292 1.482) 16.408 1.754 ( 1.464 -5.961 -3.229) 6.935 1.801 ( -1.126 -4.270 2.812) 5.236 2.362 ( -1.066 1.587 -0.598) 2.003 2.421 ( 1.035 -2.011 5.043) 5.527 2.886 ( -3.740 1.439 0.325) 4.021 3.015 ( 1.024 14.234 -1.241) 14.324 3.112 ( 2.957 2.464 -3.074) 4.926 3.161 ( -1.476 10.446 4.391) 11.427 3.286 ( -1.024 -3.669 -0.730) 3.878 3.482 ( -7.658 1.210 4.790) 9.113 3.692 ( 6.047 1.508 4.670) 7.788 3.934 ( 0.708 8.006 3.264) 8.675 4.035 ( 6.967 -0.206 -3.131) 7.641 4.319 ( 0.564 3.702 -0.340) 3.760 4.420 ( 1.047 -3.799 -3.985) 5.604 4.534 ( 1.004 7.314 1.843) 7.609 4.661 ( 2.395 -8.622 -6.831) 11.258 4.829 ( -3.510 -12.825 3.810) 13.831 5.233 ( -5.469 -8.708 -1.401) 10.378 5.529 ( 0.253 9.340 0.724) 9.371 5.723 ( -0.501 -1.411 1.438) 2.076 5.822 ( -4.721 -1.189 0.424) 4.887 6.026 ( 4.857 -1.721 1.375) 5.333 6.233 ( -2.093 3.029 -0.238) 3.689 6.340 ( 0.242 -0.693 -1.380) 1.563 6.412 ( 0.997 -3.100 0.199) 3.263 6.559 ( -0.949 -3.480 -0.626) 3.661 6.761 ( -12.815 -0.834 2.670) 13.117 6.978 ( 4.806 3.560 3.450) 6.905 7.426 ( -1.724 0.815 -0.196) 1.917 7.660 ( 7.546 2.163 -2.657) 8.288 7.807 ( -1.571 1.551 2.355) 3.228 8.163 ( 3.545 -6.040 -3.126) 7.670 8.669 ( -0.585 2.535 -4.645) 5.324 8.867 ( -2.856 1.026 -5.048) 5.890 9.286 ( 2.276 -6.420 1.374) 6.949 9.972 ( 1.376 -19.417 -0.428) 19.471 10.647 ( -1.045 10.790 2.390) 11.100 10.877 ( 1.462 2.299 -0.475) 2.765 ======================= Grid point 34 (31/96) ======================= q-point: ( 0.66 -0.06 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -6.423 5.181 0.394) 8.262 1.463 ( -4.954 -3.242 2.173) 6.306 1.553 ( -4.575 -5.476 2.471) 7.552 1.586 ( -4.277 -1.237 2.580) 5.145 2.017 ( 5.327 11.687 -2.655) 13.115 2.287 ( -3.256 -4.650 -0.075) 5.677 2.358 ( -5.340 -2.994 3.086) 6.856 2.735 ( -1.133 -3.132 3.821) 5.069 3.079 ( -11.173 1.011 -1.402) 11.306 3.124 ( 0.346 -0.466 -3.009) 3.064 3.237 ( 0.760 -2.492 5.672) 6.242 3.348 ( -1.302 3.279 0.223) 3.535 3.576 ( 2.481 15.262 1.283) 15.516 3.814 ( 3.708 -0.936 5.238) 6.485 4.139 ( 0.891 9.277 3.879) 10.094 4.170 ( 3.623 -2.594 -4.102) 6.056 4.315 ( 1.616 -0.828 1.793) 2.552 4.402 ( 3.759 -0.424 -3.011) 4.835 4.438 ( 1.874 -16.312 -8.483) 18.481 4.518 ( 0.542 -3.672 2.727) 4.605 4.870 ( -2.142 9.953 3.456) 10.752 4.983 ( -2.875 -3.512 -4.454) 6.359 5.524 ( -4.654 -3.847 1.999) 6.361 5.638 ( -7.200 -3.062 1.777) 8.023 5.826 ( 1.863 7.970 -0.444) 8.197 6.008 ( -0.147 -4.481 1.471) 4.718 6.196 ( -8.875 1.239 -0.462) 8.973 6.329 ( -0.191 0.135 -0.353) 0.423 6.390 ( 0.237 -2.286 -0.172) 2.305 6.511 ( -6.589 0.087 0.672) 6.623 6.567 ( 3.782 0.181 1.687) 4.145 7.148 ( 1.221 7.124 -2.333) 7.595 7.329 ( 3.391 -6.622 3.644) 8.284 7.632 ( -8.884 -0.498 -0.371) 8.906 7.974 ( 7.273 1.916 0.845) 7.568 8.266 ( 10.031 0.311 -2.326) 10.302 8.700 ( -1.527 1.233 -3.762) 4.244 8.907 ( 1.545 6.908 -11.303) 13.337 9.335 ( 4.658 3.482 2.983) 6.536 9.627 ( 2.543 -19.353 3.356) 19.806 10.729 ( -3.074 3.443 1.258) 4.784 11.018 ( 5.692 3.094 -0.163) 6.480 ======================= Grid point 35 (32/96) ======================= q-point: (-0.34 -0.06 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -9.571 -6.191 -2.475) 11.664 1.249 ( -4.174 -8.124 -4.629) 10.239 1.425 ( -3.801 -0.079 -0.977) 3.925 1.535 ( -2.185 3.571 2.952) 5.122 2.077 ( -9.621 0.162 0.812) 9.657 2.138 ( -0.059 -11.411 0.632) 11.429 2.324 ( 3.452 6.559 -4.903) 8.887 2.720 ( 1.066 -0.155 1.758) 2.062 2.847 ( -9.527 -0.939 0.568) 9.590 3.111 ( 0.802 -2.539 -6.189) 6.738 3.229 ( 1.136 -0.452 2.776) 3.033 3.322 ( -1.411 -4.274 -0.624) 4.544 3.662 ( 2.254 -19.688 1.118) 19.848 3.725 ( 4.788 -9.425 -8.975) 13.867 4.027 ( -6.412 -8.917 -6.537) 12.781 4.149 ( -0.628 4.783 -2.555) 5.459 4.360 ( 3.500 0.154 -0.670) 3.567 4.468 ( -0.066 -0.123 0.915) 0.926 4.583 ( 7.126 6.997 1.934) 10.173 4.648 ( 2.215 18.356 7.672) 20.017 4.756 ( 1.058 -7.812 -5.897) 9.845 4.998 ( -8.443 1.337 5.622) 10.231 5.386 ( -4.261 -0.632 -3.170) 5.348 5.532 ( -2.674 6.411 1.387) 7.084 5.861 ( 0.815 -9.496 1.199) 9.606 5.988 ( -1.202 2.436 1.057) 2.915 6.037 ( -4.390 2.254 -1.711) 5.223 6.307 ( -4.418 0.774 -1.246) 4.656 6.362 ( -4.588 0.498 5.382) 7.089 6.439 ( 1.205 4.400 0.757) 4.624 6.737 ( 7.980 1.660 3.115) 8.725 7.229 ( 2.909 -1.666 -0.386) 3.374 7.399 ( 4.841 2.398 1.602) 5.635 7.467 ( -6.016 0.069 -1.770) 6.272 8.056 ( -1.389 2.077 4.736) 5.355 8.429 ( 3.614 2.351 1.518) 4.570 8.678 ( -1.550 0.989 -2.444) 3.058 9.108 ( 5.049 0.602 -4.939) 7.089 9.322 ( 0.275 -5.564 1.709) 5.827 9.626 ( 4.688 9.597 -3.263) 11.168 10.688 ( -1.124 -3.434 0.534) 3.652 11.152 ( 4.206 0.388 3.580) 5.537 ======================= Grid point 36 (33/96) ======================= q-point: ( 0.07 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( -0.000 14.927 -0.000) 14.927 0.423 ( -0.000 22.474 -0.000) 22.474 0.787 ( -0.000 40.502 -0.000) 40.502 1.395 ( 0.000 -0.509 0.000) 0.509 1.579 ( -0.000 1.142 -0.000) 1.142 2.132 ( 0.000 -2.537 0.000) 2.537 2.430 ( 0.000 -3.321 0.000) 3.321 2.632 ( -0.000 13.751 -0.000) 13.751 2.750 ( -0.000 0.435 -0.000) 0.435 2.772 ( -0.000 2.984 -0.000) 2.984 2.810 ( -0.000 5.030 -0.000) 5.030 2.933 ( -0.000 10.042 -0.000) 10.042 3.181 ( -0.000 2.364 -0.000) 2.364 3.291 ( -0.000 3.373 -0.000) 3.373 3.660 ( 0.000 -0.572 0.000) 0.572 3.993 ( -0.000 10.594 -0.000) 10.594 4.103 ( -0.000 1.559 -0.000) 1.559 4.502 ( 0.000 -1.764 0.000) 1.764 4.505 ( -0.000 6.490 -0.000) 6.490 4.736 ( 0.000 -4.730 0.000) 4.730 5.025 ( 0.000 -1.874 0.000) 1.874 5.221 ( 0.000 -1.120 0.000) 1.120 5.493 ( 0.000 -9.236 0.000) 9.236 5.604 ( -0.000 6.039 -0.000) 6.039 5.816 ( 0.000 -2.579 0.000) 2.579 6.026 ( 0.000 -2.828 0.000) 2.828 6.183 ( 0.000 -2.422 0.000) 2.422 6.340 ( 0.000 -1.500 0.000) 1.500 6.647 ( -0.000 0.544 -0.000) 0.544 6.773 ( 0.000 -5.840 0.000) 5.840 7.061 ( 0.000 -3.548 0.000) 3.548 7.254 ( 0.000 -3.318 0.000) 3.318 7.364 ( 0.000 -0.126 0.000) 0.126 7.477 ( -0.000 1.351 -0.000) 1.351 8.412 ( -0.000 0.595 -0.000) 0.595 8.555 ( 0.000 -4.370 0.000) 4.370 8.693 ( -0.000 0.049 -0.000) 0.049 9.064 ( 0.000 -6.737 0.000) 6.737 9.482 ( 0.000 -7.780 0.000) 7.780 9.546 ( -0.000 3.098 -0.000) 3.098 10.417 ( -0.000 8.752 -0.000) 8.752 11.479 ( 0.000 -1.691 0.000) 1.691 ======================= Grid point 37 (34/96) ======================= q-point: ( 0.07 -0.07 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 17.076 10.703 -0.000) 20.153 0.904 ( 6.515 18.262 -0.000) 19.389 1.408 ( 2.265 0.081 -0.000) 2.267 1.551 ( 5.378 31.355 -0.000) 31.813 1.609 ( 0.574 1.794 -0.000) 1.883 2.188 ( 11.374 -4.288 -0.000) 12.156 2.343 ( 0.300 -6.439 0.000) 6.446 2.801 ( 1.336 1.817 -0.000) 2.255 2.817 ( 0.935 10.291 -0.000) 10.334 2.823 ( -3.093 5.323 0.000) 6.156 3.134 ( -0.048 10.511 -0.000) 10.511 3.142 ( 7.169 18.375 -0.000) 19.724 3.309 ( 6.125 2.792 -0.000) 6.731 3.398 ( -1.792 7.730 0.000) 7.935 3.702 ( 3.646 4.172 -0.000) 5.541 4.123 ( -0.491 -0.173 0.000) 0.521 4.249 ( -0.060 12.577 -0.000) 12.577 4.454 ( -1.521 1.990 0.000) 2.504 4.469 ( -6.668 -3.322 0.000) 7.450 4.710 ( -1.513 -4.471 0.000) 4.720 5.101 ( 11.000 3.982 -0.000) 11.698 5.216 ( -1.898 -15.919 0.000) 16.031 5.271 ( 5.835 -1.422 -0.000) 6.006 5.702 ( -3.304 11.909 0.000) 12.359 5.739 ( 1.325 -9.426 0.000) 9.519 6.023 ( 5.793 -1.002 -0.000) 5.879 6.099 ( -1.818 -3.747 0.000) 4.164 6.292 ( -0.417 1.855 0.000) 1.901 6.615 ( -1.327 -8.999 0.000) 9.096 6.739 ( 0.912 -5.791 0.000) 5.862 6.930 ( -4.326 -4.054 0.000) 5.928 7.140 ( 2.453 -6.953 -0.000) 7.373 7.410 ( 4.138 0.108 -0.000) 4.139 7.467 ( -4.294 2.212 0.000) 4.830 8.423 ( -4.711 -1.624 0.000) 4.983 8.429 ( -0.531 -0.048 0.000) 0.533 8.635 ( -1.939 -3.703 0.000) 4.180 8.852 ( -5.761 -8.792 0.000) 10.512 9.365 ( -1.512 -1.296 0.000) 1.992 9.649 ( 5.322 -7.566 -0.000) 9.250 10.595 ( 0.971 8.410 -0.000) 8.466 11.333 ( -8.420 -0.524 0.000) 8.436 ======================= Grid point 38 (35/96) ======================= q-point: ( 0.07 -0.07 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 9.307 7.087 -0.000) 11.698 1.279 ( 3.073 10.221 -0.000) 10.673 1.504 ( 3.829 3.828 -0.000) 5.414 1.624 ( -0.858 0.810 0.000) 1.180 2.102 ( 1.002 18.284 -0.000) 18.311 2.205 ( 1.762 -10.018 0.000) 10.172 2.398 ( 15.499 -2.552 -0.000) 15.708 2.845 ( -6.408 6.739 0.000) 9.299 2.860 ( 2.521 2.794 -0.000) 3.763 3.106 ( 11.327 4.969 -0.000) 12.369 3.207 ( -1.910 -1.909 0.000) 2.701 3.467 ( 7.073 2.920 -0.000) 7.652 3.572 ( -2.318 15.353 -0.000) 15.527 3.674 ( 5.796 20.347 -0.000) 21.157 3.905 ( 0.628 7.511 -0.000) 7.537 4.071 ( 0.799 -5.414 0.000) 5.473 4.227 ( -5.733 -8.420 0.000) 10.186 4.296 ( -7.265 5.262 0.000) 8.970 4.525 ( -6.583 -1.338 0.000) 6.717 4.635 ( 3.699 2.550 -0.000) 4.492 4.827 ( -0.281 -13.687 0.000) 13.690 5.260 ( 0.293 -9.887 0.000) 9.891 5.444 ( 8.052 3.813 -0.000) 8.909 5.662 ( 6.715 -0.423 -0.000) 6.728 5.882 ( -1.333 10.600 -0.000) 10.683 5.953 ( -2.717 -5.525 0.000) 6.156 6.233 ( 13.875 -2.598 -0.000) 14.116 6.349 ( 2.060 2.096 -0.000) 2.939 6.421 ( -1.049 -7.386 0.000) 7.460 6.568 ( -8.100 -1.290 0.000) 8.202 6.831 ( 1.475 0.056 -0.000) 1.476 7.083 ( 6.703 -9.279 -0.000) 11.447 7.420 ( -6.545 5.256 0.000) 8.394 7.553 ( 7.965 1.826 -0.000) 8.171 8.185 ( -17.051 -4.191 0.000) 17.559 8.286 ( -7.877 -6.064 0.000) 9.940 8.570 ( 1.581 -2.552 -0.000) 3.002 8.627 ( -0.887 -4.892 0.000) 4.972 9.400 ( -3.319 9.923 0.000) 10.464 9.500 ( -0.865 -10.489 0.000) 10.525 10.758 ( 3.028 4.793 -0.000) 5.669 11.146 ( -7.115 -3.502 0.000) 7.930 ======================= Grid point 39 (36/96) ======================= q-point: ( 0.07 -0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -0.629 1.803 0.000) 1.910 1.406 ( -1.664 2.426 0.000) 2.942 1.595 ( -1.647 -1.657 0.000) 2.336 1.619 ( 0.142 1.692 -0.000) 1.698 2.054 ( 3.071 -10.890 -0.000) 11.314 2.328 ( -2.723 9.794 0.000) 10.165 2.574 ( 7.264 -2.728 -0.000) 7.759 2.827 ( -8.654 6.713 0.000) 10.953 3.033 ( 7.837 3.122 -0.000) 8.436 3.055 ( -4.114 -6.933 0.000) 8.062 3.327 ( 10.614 -7.789 -0.000) 13.165 3.620 ( -12.137 -4.998 0.000) 13.126 3.661 ( 8.208 1.562 -0.000) 8.355 3.822 ( -9.128 -2.073 0.000) 9.361 3.886 ( -2.380 -8.028 0.000) 8.374 4.074 ( 2.392 11.253 -0.000) 11.504 4.151 ( -1.693 5.090 0.000) 5.364 4.274 ( -7.792 9.920 0.000) 12.615 4.363 ( 0.533 -14.179 0.000) 14.189 4.588 ( 2.991 10.598 -0.000) 11.012 4.941 ( -3.664 -13.632 0.000) 14.116 5.044 ( 9.724 9.294 -0.000) 13.451 5.686 ( 6.037 6.209 -0.000) 8.660 5.729 ( -4.494 -2.308 0.000) 5.052 5.810 ( 3.073 -7.067 -0.000) 7.706 6.003 ( -3.782 5.782 0.000) 6.909 6.285 ( 4.362 -3.842 -0.000) 5.813 6.360 ( 2.034 -4.611 -0.000) 5.040 6.400 ( -1.757 1.137 0.000) 2.093 6.479 ( -1.152 4.606 0.000) 4.748 7.068 ( 16.224 1.022 -0.000) 16.256 7.078 ( 8.530 -6.191 -0.000) 10.540 7.491 ( -0.758 12.799 -0.000) 12.821 7.493 ( -20.523 -7.759 0.000) 21.940 7.930 ( 6.342 3.029 -0.000) 7.029 7.989 ( -9.203 -6.450 0.000) 11.239 8.565 ( 1.284 -0.548 -0.000) 1.396 8.601 ( 1.482 -0.555 -0.000) 1.582 9.316 ( -0.950 -5.283 0.000) 5.368 9.592 ( -3.634 17.011 -0.000) 17.395 10.893 ( 5.478 0.842 -0.000) 5.542 10.924 ( -5.369 -7.212 0.000) 8.991 ======================= Grid point 41 (37/96) ======================= q-point: ( 0.07 -0.07 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -9.689 -4.131 0.000) 10.533 1.264 ( -8.061 -8.252 0.000) 11.536 1.514 ( -2.569 -1.550 0.000) 3.000 1.592 ( -0.463 -2.797 0.000) 2.835 1.877 ( -4.449 -8.546 0.000) 9.635 2.412 ( -3.087 6.089 0.000) 6.827 2.635 ( 5.203 -2.675 -0.000) 5.850 2.715 ( -9.322 -2.139 0.000) 9.565 2.865 ( -3.423 -2.304 0.000) 4.127 3.087 ( 3.555 -14.898 -0.000) 15.316 3.097 ( -16.575 -13.789 0.000) 21.561 3.317 ( 3.836 0.803 -0.000) 3.920 3.607 ( -9.268 -4.749 0.000) 10.414 3.639 ( -12.270 -1.759 0.000) 12.395 3.756 ( 2.446 -5.092 -0.000) 5.649 4.175 ( -2.900 4.675 0.000) 5.502 4.206 ( -1.070 1.457 0.000) 1.808 4.292 ( 4.877 -0.855 -0.000) 4.952 4.438 ( 5.485 7.220 -0.000) 9.067 4.518 ( -2.602 -11.567 0.000) 11.856 5.059 ( 5.821 15.424 -0.000) 16.486 5.387 ( 3.685 8.488 -0.000) 9.253 5.515 ( -3.004 -9.701 0.000) 10.155 5.699 ( -4.607 -4.052 0.000) 6.136 5.830 ( -4.913 3.505 0.000) 6.035 5.958 ( 1.036 0.931 -0.000) 1.393 6.272 ( 1.328 -5.530 -0.000) 5.687 6.412 ( 8.851 1.047 -0.000) 8.912 6.499 ( 4.083 6.518 -0.000) 7.691 6.548 ( -5.638 4.609 0.000) 7.283 6.908 ( -16.268 -6.946 0.000) 17.689 7.177 ( 9.559 -2.765 -0.000) 9.950 7.326 ( 5.371 5.599 -0.000) 7.759 7.716 ( -10.266 -1.012 0.000) 10.316 7.844 ( 14.781 3.482 -0.000) 15.186 8.197 ( 10.650 3.382 -0.000) 11.174 8.619 ( 0.559 -0.223 -0.000) 0.602 8.640 ( 3.983 4.123 -0.000) 5.733 9.300 ( 0.502 3.906 -0.000) 3.938 9.865 ( -3.659 18.928 -0.000) 19.278 10.677 ( -3.326 -9.861 0.000) 10.407 10.997 ( 7.162 -3.223 -0.000) 7.854 ======================= Grid point 42 (38/96) ======================= q-point: ( 0.07 -0.07 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -10.511 -18.111 0.000) 20.941 0.891 ( -16.581 -7.069 0.000) 18.025 1.364 ( -18.294 -8.743 0.000) 20.276 1.451 ( -2.410 -0.105 0.000) 2.412 1.636 ( -4.638 -1.342 0.000) 4.829 2.460 ( -1.794 4.237 0.000) 4.602 2.472 ( -4.860 -6.343 0.000) 7.991 2.601 ( -12.395 -6.617 0.000) 14.051 2.685 ( 4.166 -1.644 -0.000) 4.478 2.811 ( -3.908 2.279 0.000) 4.524 2.844 ( 3.116 -13.495 -0.000) 13.850 3.213 ( -15.843 -6.179 0.000) 17.006 3.392 ( -3.003 2.649 0.000) 4.004 3.460 ( -8.797 1.263 0.000) 8.888 3.638 ( 0.340 -5.474 0.000) 5.485 4.062 ( -2.518 -9.746 0.000) 10.066 4.192 ( -3.545 3.468 0.000) 4.959 4.389 ( 4.199 -0.699 -0.000) 4.256 4.434 ( -0.108 3.397 -0.000) 3.399 4.694 ( 9.239 3.379 -0.000) 9.838 5.275 ( -14.779 -2.546 0.000) 14.997 5.289 ( 1.543 -10.975 0.000) 11.083 5.408 ( 4.432 8.545 -0.000) 9.625 5.510 ( -8.226 -2.084 0.000) 8.486 5.899 ( 1.262 6.415 -0.000) 6.538 6.070 ( 5.380 1.085 -0.000) 5.489 6.194 ( 0.644 -4.445 0.000) 4.492 6.267 ( -17.867 -0.032 0.000) 17.867 6.662 ( 12.751 2.287 -0.000) 12.954 6.710 ( 3.558 5.752 -0.000) 6.764 6.853 ( 7.819 0.650 -0.000) 7.846 7.313 ( 7.819 -1.344 -0.000) 7.934 7.491 ( -3.089 2.228 0.000) 3.808 7.568 ( -8.147 12.599 0.000) 15.004 8.078 ( 13.569 -9.472 -0.000) 16.547 8.400 ( 5.006 0.968 -0.000) 5.099 8.619 ( 0.822 -0.372 -0.000) 0.903 8.868 ( 7.602 6.395 -0.000) 9.934 9.444 ( 1.460 7.707 -0.000) 7.844 10.151 ( -5.626 22.259 0.000) 22.959 10.446 ( -1.621 -8.931 0.000) 9.077 11.023 ( 8.364 -11.454 -0.000) 14.183 ======================= Grid point 43 (39/96) ======================= q-point: ( 0.07 -0.07 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( -15.093 0.000 0.000) 15.093 0.421 ( -21.406 0.000 0.000) 21.406 0.715 ( -34.755 0.000 0.000) 34.755 1.414 ( -1.373 0.000 0.000) 1.373 1.576 ( -1.491 0.000 0.000) 1.491 2.338 ( -8.777 0.000 0.000) 8.777 2.372 ( 0.648 -0.000 -0.000) 0.648 2.475 ( -1.246 0.000 0.000) 1.246 2.729 ( 1.485 -0.000 -0.000) 1.485 2.782 ( 4.391 -0.000 -0.000) 4.391 2.786 ( -1.999 0.000 0.000) 1.999 2.861 ( -11.202 0.000 0.000) 11.202 3.308 ( -4.555 0.000 0.000) 4.555 3.350 ( -4.872 0.000 0.000) 4.872 3.637 ( 2.551 -0.000 -0.000) 2.551 3.908 ( -1.970 0.000 0.000) 1.970 4.143 ( -4.723 0.000 0.000) 4.723 4.422 ( 1.700 -0.000 -0.000) 1.700 4.501 ( 1.657 -0.000 -0.000) 1.657 4.831 ( -1.405 0.000 0.000) 1.405 5.040 ( -2.954 0.000 0.000) 2.954 5.173 ( 1.237 -0.000 -0.000) 1.237 5.328 ( -7.093 0.000 0.000) 7.093 5.559 ( 2.234 -0.000 -0.000) 2.234 5.912 ( -6.506 0.000 0.000) 6.506 6.065 ( -2.314 0.000 0.000) 2.314 6.147 ( -0.026 0.000 0.000) 0.026 6.174 ( 3.361 -0.000 -0.000) 3.361 6.815 ( 1.600 -0.000 -0.000) 1.600 6.955 ( 13.718 -0.000 -0.000) 13.718 7.025 ( 6.841 -0.000 -0.000) 6.841 7.392 ( -5.730 0.000 0.000) 5.730 7.420 ( 4.418 -0.000 -0.000) 4.418 7.716 ( -7.763 0.000 0.000) 7.763 8.066 ( 8.516 -0.000 -0.000) 8.516 8.427 ( -1.431 0.000 0.000) 1.431 8.658 ( 2.815 -0.000 -0.000) 2.815 9.077 ( 5.780 -0.000 -0.000) 5.780 9.563 ( 1.217 -0.000 -0.000) 1.217 10.326 ( -0.694 0.000 0.000) 0.694 10.606 ( 5.167 -0.000 -0.000) 5.167 10.762 ( -2.148 0.000 0.000) 2.148 ======================= Grid point 44 (40/96) ======================= q-point: (-0.51 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.000 3.118 -4.552) 5.517 1.348 ( -0.000 -0.205 -9.559) 9.562 1.390 ( -0.000 2.141 -0.101) 2.143 1.496 ( -0.000 5.666 -1.918) 5.982 1.939 ( 0.000 -0.417 0.839) 0.938 2.138 ( 0.000 -9.704 2.124) 9.934 2.446 ( -0.000 10.059 -3.491) 10.647 2.730 ( -0.000 -0.186 -0.373) 0.417 2.769 ( -0.000 1.635 -3.905) 4.233 3.190 ( -0.000 4.199 1.048) 4.328 3.237 ( -0.000 0.769 -4.857) 4.917 3.358 ( -0.000 -1.914 -2.725) 3.330 3.666 ( 0.000 -16.623 0.814) 16.643 3.891 ( 0.000 -0.488 2.530) 2.576 4.088 ( -0.000 -11.734 -11.465) 16.405 4.154 ( -0.000 9.640 1.330) 9.732 4.395 ( -0.000 5.696 3.992) 6.956 4.463 ( 0.000 -3.049 -1.013) 3.213 4.503 ( -0.000 14.609 3.481) 15.018 4.641 ( 0.000 -4.033 3.375) 5.259 4.833 ( -0.000 4.140 2.815) 5.006 4.836 ( 0.000 -7.994 -2.605) 8.407 5.410 ( -0.000 2.978 -3.139) 4.327 5.478 ( -0.000 7.733 0.934) 7.789 5.867 ( 0.000 -9.299 -0.697) 9.325 5.952 ( 0.000 -0.008 0.049) 0.050 6.050 ( -0.000 6.578 -1.704) 6.795 6.207 ( 0.000 -0.224 1.175) 1.196 6.336 ( -0.000 -0.994 -2.842) 3.011 6.422 ( 0.000 1.590 1.818) 2.415 6.782 ( 0.000 -2.254 0.627) 2.340 7.233 ( 0.000 -5.013 4.656) 6.841 7.391 ( 0.000 -0.051 0.575) 0.577 7.483 ( -0.000 5.036 -3.124) 5.926 7.992 ( -0.000 -1.554 -1.675) 2.285 8.425 ( 0.000 -0.861 1.996) 2.174 8.657 ( 0.000 0.596 2.868) 2.929 8.973 ( 0.000 -13.351 15.439) 20.411 9.469 ( -0.000 4.190 -7.964) 8.999 9.743 ( -0.000 13.859 -2.848) 14.148 10.672 ( 0.000 -3.819 -0.173) 3.823 11.153 ( 0.000 -3.621 0.481) 3.653 ======================= Grid point 45 (41/96) ======================= q-point: (-0.51 -0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 1.848 -1.772 -10.986) 11.280 1.358 ( 6.904 -4.372 -11.238) 13.895 1.472 ( 1.761 1.638 -2.333) 3.351 1.632 ( 1.605 4.624 -3.041) 5.763 1.948 ( -2.467 -4.824 -1.971) 5.765 2.055 ( 10.208 0.368 2.826) 10.598 2.561 ( -3.299 5.783 -6.920) 9.602 2.759 ( -0.908 -0.364 -3.294) 3.436 2.814 ( 7.710 -3.238 -0.473) 8.375 3.157 ( -3.251 -11.236 -1.054) 11.744 3.252 ( 1.688 -0.028 -7.900) 8.078 3.296 ( -3.373 -7.422 -2.620) 8.563 3.333 ( 0.595 -2.431 -5.605) 6.138 3.723 ( -2.954 -7.596 -11.252) 13.893 3.948 ( 5.250 -6.676 -1.054) 8.558 4.294 ( -4.034 -6.341 -0.390) 7.526 4.359 ( 0.078 5.442 -4.867) 7.302 4.558 ( -1.983 7.891 2.451) 8.497 4.571 ( 3.453 -1.077 1.282) 3.837 4.627 ( -3.574 -7.822 0.555) 8.618 4.812 ( -1.204 14.238 9.856) 17.359 5.002 ( 2.819 9.466 3.574) 10.503 5.502 ( 2.540 -0.291 -5.771) 6.312 5.659 ( 1.014 -3.380 -1.195) 3.725 5.680 ( 0.986 3.135 -0.067) 3.287 5.996 ( 4.147 0.560 0.289) 4.194 6.135 ( -0.046 2.468 -1.862) 3.092 6.310 ( 6.458 1.686 2.122) 7.004 6.350 ( 3.017 0.956 -1.531) 3.516 6.475 ( -0.159 3.856 2.176) 4.431 6.672 ( -6.223 -1.813 3.005) 7.144 7.083 ( -3.869 -5.600 4.469) 8.142 7.436 ( 3.601 0.035 -0.693) 3.667 7.573 ( -1.514 6.288 -1.592) 6.661 8.007 ( 1.180 -0.607 1.846) 2.274 8.392 ( -3.570 0.794 4.730) 5.979 8.658 ( -1.065 -5.529 9.560) 11.095 8.743 ( 1.901 -5.083 8.565) 10.140 9.461 ( -4.336 2.346 -5.891) 7.681 10.051 ( -2.357 18.582 -2.129) 18.852 10.569 ( 1.451 -7.576 -2.318) 8.055 11.031 ( -3.651 -4.983 3.797) 7.251 ======================= Grid point 46 (42/96) ======================= q-point: (-0.51 -0.09 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 1.756 -2.806 -9.929) 10.467 1.281 ( 0.989 -10.622 -8.330) 13.535 1.472 ( -2.014 -0.531 -3.853) 4.380 1.790 ( 5.385 5.509 -3.832) 8.604 1.905 ( -0.931 1.268 -1.132) 1.939 2.238 ( 6.181 -0.212 0.539) 6.208 2.524 ( -2.805 -4.989 -3.777) 6.858 2.643 ( -0.134 -5.794 -3.783) 6.921 2.795 ( -5.443 -12.548 1.734) 13.787 2.988 ( 8.343 2.671 -4.628) 9.908 3.150 ( 5.690 -4.089 -4.354) 8.250 3.306 ( -0.168 2.390 -7.062) 7.458 3.426 ( 0.468 4.763 -4.024) 6.252 3.656 ( 1.322 0.470 -9.788) 9.888 3.855 ( -1.750 -6.911 -3.108) 7.778 4.098 ( -0.742 -7.466 -0.502) 7.520 4.312 ( -10.505 -2.161 3.821) 11.385 4.484 ( -1.466 0.535 -2.450) 2.905 4.576 ( -0.347 1.787 2.324) 2.952 4.752 ( 1.119 7.789 -1.667) 8.044 5.020 ( 1.843 8.337 6.389) 10.664 5.211 ( 1.876 -1.200 2.344) 3.234 5.357 ( 3.002 -4.375 0.553) 5.334 5.722 ( 3.571 1.952 -4.848) 6.330 5.802 ( 0.997 2.794 -1.051) 3.147 6.108 ( 3.809 1.059 -0.044) 3.954 6.137 ( -0.509 -0.621 -0.915) 1.217 6.417 ( -3.084 2.852 3.031) 5.180 6.464 ( 3.283 1.350 2.720) 4.472 6.543 ( 2.231 -1.026 0.747) 2.567 6.596 ( 5.457 2.826 -2.484) 6.629 6.911 ( -2.883 -4.701 2.847) 6.206 7.518 ( 1.533 2.693 -1.860) 3.614 7.649 ( -1.277 2.161 0.195) 2.517 7.849 ( -9.185 -5.280 3.146) 11.052 8.325 ( -5.029 1.571 5.761) 7.807 8.603 ( 4.629 -1.818 11.403) 12.440 8.796 ( 3.753 1.731 2.498) 4.829 9.462 ( -2.400 5.038 -3.678) 6.684 10.236 ( 0.492 1.938 4.617) 5.031 10.494 ( -2.249 0.238 -5.492) 5.939 10.880 ( -3.078 -2.201 2.432) 4.498 ======================= Grid point 47 (43/96) ======================= q-point: (-0.51 -0.09 0.51) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -2.463 0.000 -2.240) 3.330 1.182 ( -2.316 -0.000 -7.454) 7.806 1.420 ( -1.845 0.000 -2.822) 3.372 1.898 ( -0.714 0.000 -0.040) 0.716 1.959 ( 2.705 -0.000 5.772) 6.374 2.301 ( -0.392 -0.000 -6.914) 6.926 2.354 ( -1.704 0.000 -1.280) 2.131 2.576 ( -1.347 0.000 1.149) 1.770 2.592 ( -2.303 0.000 -2.759) 3.594 3.124 ( 1.200 -0.000 -2.574) 2.840 3.294 ( -3.667 0.000 -0.802) 3.754 3.335 ( 13.097 -0.000 2.698) 13.372 3.502 ( 1.043 -0.000 -4.394) 4.516 3.646 ( -9.472 0.000 -4.062) 10.307 3.749 ( 3.508 -0.000 -4.342) 5.582 4.020 ( 0.393 -0.000 -0.455) 0.601 4.057 ( -8.875 0.000 3.893) 9.692 4.455 ( -2.176 0.000 -0.555) 2.246 4.587 ( -1.015 0.000 1.508) 1.818 4.857 ( -1.479 0.000 2.551) 2.949 5.073 ( 0.013 0.000 0.464) 0.464 5.167 ( 3.485 -0.000 -0.177) 3.489 5.546 ( 9.007 -0.000 0.856) 9.048 5.768 ( -1.995 0.000 -2.086) 2.886 5.818 ( -0.036 -0.000 -1.458) 1.458 6.056 ( -4.759 0.000 -0.769) 4.821 6.201 ( 2.424 -0.000 1.566) 2.886 6.360 ( -1.261 0.000 1.545) 1.995 6.533 ( 1.356 -0.000 1.079) 1.733 6.563 ( 1.165 -0.000 0.160) 1.176 6.838 ( 1.264 -0.000 -1.361) 1.857 6.848 ( 10.974 -0.000 -4.910) 12.023 7.384 ( -13.265 0.000 4.703) 14.074 7.613 ( 1.176 -0.000 -1.882) 2.219 7.790 ( 1.837 -0.000 -1.309) 2.256 8.280 ( -0.737 0.000 3.248) 3.331 8.636 ( 0.517 0.000 4.017) 4.050 8.908 ( 3.586 -0.000 3.609) 5.088 9.507 ( 0.001 -0.000 -0.636) 0.636 10.260 ( 3.509 -0.000 2.326) 4.209 10.430 ( -4.435 0.000 -1.472) 4.673 10.836 ( -0.793 0.000 -0.458) 0.916 ======================= Grid point 49 (44/96) ======================= q-point: ( 0.49 -0.09 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -9.150 9.882 2.697) 13.735 1.337 ( -9.863 7.488 10.106) 15.984 1.445 ( -0.416 2.230 1.502) 2.721 1.630 ( -2.293 -1.453 2.088) 3.424 1.876 ( -0.315 5.479 2.228) 5.923 2.332 ( -8.148 2.117 -3.117) 8.977 2.398 ( 1.328 -5.667 0.909) 5.891 2.735 ( -3.840 -1.609 2.329) 4.771 2.924 ( -4.657 12.315 3.453) 13.612 3.052 ( 0.668 5.596 7.283) 9.209 3.188 ( -3.598 7.603 0.910) 8.461 3.257 ( -2.513 9.259 -1.979) 9.796 3.335 ( -2.964 0.650 -2.129) 3.707 3.507 ( -2.576 4.902 8.843) 10.434 3.913 ( 2.243 7.545 5.005) 9.328 4.263 ( -1.238 6.396 0.792) 6.563 4.273 ( 2.810 -4.875 1.681) 5.873 4.497 ( 2.173 -4.183 1.604) 4.979 4.520 ( 2.610 9.464 5.221) 11.119 4.594 ( 2.817 -7.328 0.298) 7.857 4.966 ( 2.675 -15.875 -9.222) 18.553 5.192 ( -7.041 -3.863 -4.486) 9.199 5.489 ( -3.642 3.246 2.240) 5.368 5.653 ( -2.234 5.941 1.533) 6.529 5.720 ( -2.625 -4.276 -0.863) 5.091 6.047 ( 1.403 -2.768 1.070) 3.282 6.169 ( -5.959 2.405 -0.753) 6.470 6.376 ( -4.611 -3.112 0.789) 5.619 6.484 ( 2.122 -4.571 -3.474) 6.121 6.563 ( -6.778 -1.655 -5.238) 8.724 6.589 ( 6.443 -0.815 -1.814) 6.743 7.083 ( 4.306 5.318 -4.583) 8.236 7.416 ( 2.848 -6.519 0.604) 7.140 7.598 ( -7.349 0.015 2.373) 7.722 8.002 ( 10.334 2.040 -4.865) 11.602 8.361 ( 7.857 -3.928 -3.280) 9.376 8.704 ( 0.522 0.521 2.625) 2.727 8.932 ( 1.266 5.346 -4.509) 7.108 9.289 ( 1.824 -5.300 2.968) 6.343 9.929 ( -0.340 -21.506 5.860) 22.293 10.593 ( -1.959 9.634 -0.725) 9.858 11.013 ( 6.283 3.372 -4.631) 8.503 ======================= Grid point 51 (45/96) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -0.000 -0.000 -20.310) 20.310 0.425 ( -0.000 -0.000 -21.415) 21.415 0.691 ( -0.000 -0.000 -34.911) 34.911 1.422 ( -0.000 -0.000 -2.207) 2.207 1.601 ( -0.000 -0.000 -3.921) 3.921 2.124 ( 0.000 0.000 3.060) 3.060 2.394 ( -0.000 -0.000 -1.240) 1.240 2.508 ( -0.000 -0.000 -3.325) 3.325 2.739 ( 0.000 0.000 0.543) 0.543 2.818 ( -0.000 -0.000 -4.747) 4.747 2.828 ( -0.000 -0.000 -8.225) 8.225 2.834 ( -0.000 -0.000 -0.548) 0.548 3.213 ( -0.000 -0.000 -5.518) 5.518 3.342 ( -0.000 -0.000 -1.328) 1.328 3.672 ( -0.000 -0.000 -0.450) 0.450 3.908 ( -0.000 -0.000 -2.135) 2.135 4.145 ( -0.000 -0.000 -5.961) 5.961 4.427 ( 0.000 0.000 1.212) 1.212 4.647 ( -0.000 -0.000 -11.128) 11.128 4.988 ( 0.000 0.000 5.687) 5.687 5.113 ( -0.000 -0.000 -1.163) 1.163 5.175 ( 0.000 0.000 1.024) 1.024 5.268 ( -0.000 -0.000 -3.635) 3.635 5.545 ( 0.000 0.000 3.714) 3.714 5.836 ( -0.000 -0.000 -0.018) 0.018 6.047 ( 0.000 0.000 0.921) 0.921 6.172 ( -0.000 -0.000 -2.592) 2.592 6.195 ( 0.000 0.000 1.622) 1.622 6.344 ( 0.000 0.000 1.042) 1.042 6.796 ( 0.000 0.000 3.442) 3.442 7.106 ( 0.000 0.000 8.165) 8.165 7.240 ( 0.000 0.000 4.764) 4.764 7.366 ( -0.000 -0.000 -0.114) 0.114 8.135 ( 0.000 0.000 1.427) 1.427 8.270 ( 0.000 0.000 10.203) 10.203 8.508 ( 0.000 0.000 6.561) 6.561 8.686 ( -0.000 -0.000 -5.429) 5.429 8.737 ( 0.000 0.000 2.316) 2.316 9.205 ( -0.000 -0.000 -6.643) 6.643 10.297 ( 0.000 0.000 2.240) 2.240 10.660 ( -0.000 -0.000 -0.089) 0.089 11.058 ( 0.000 0.000 1.827) 1.827 ======================= Grid point 53 (46/96) ======================= q-point: (-0.10 -0.10 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 10.637 11.694 0.206) 15.810 1.159 ( 11.503 8.446 -7.482) 16.113 1.440 ( 2.215 2.001 0.973) 3.140 1.599 ( 0.692 3.487 -1.174) 3.744 1.799 ( 6.099 11.953 -5.024) 14.329 2.344 ( 2.276 -4.855 0.685) 5.406 2.454 ( 11.572 -2.784 2.640) 12.191 2.707 ( -1.372 1.335 0.340) 1.944 2.882 ( 3.161 14.994 -1.084) 15.362 2.907 ( 1.997 3.674 -6.695) 7.894 3.154 ( 0.713 13.934 -2.230) 14.129 3.322 ( 9.465 8.272 3.365) 13.013 3.375 ( 2.165 3.313 -0.219) 3.964 3.413 ( 5.270 1.385 1.151) 5.569 3.815 ( 0.622 7.667 -4.726) 9.028 4.187 ( 2.154 -2.112 -4.677) 5.565 4.248 ( -2.106 2.633 -2.218) 4.036 4.406 ( -1.528 3.591 -4.193) 5.728 4.477 ( -1.220 1.377 -1.047) 2.117 4.602 ( -7.885 -5.851 0.013) 9.818 5.108 ( -3.647 -16.469 5.140) 17.634 5.273 ( 8.810 0.431 4.020) 9.693 5.443 ( 6.615 1.275 -2.506) 7.188 5.649 ( 0.443 10.413 0.769) 10.451 5.743 ( 1.418 -6.196 1.118) 6.453 6.033 ( -3.553 -2.881 -0.362) 4.588 6.204 ( 8.599 2.455 2.962) 9.420 6.340 ( 6.806 -0.192 -2.764) 7.348 6.547 ( -3.787 -6.951 2.641) 8.344 6.604 ( -6.660 -3.050 0.704) 7.359 6.728 ( -0.181 -1.427 9.395) 9.504 7.186 ( -1.296 1.475 6.104) 6.412 7.398 ( -3.736 -6.967 -1.750) 8.097 7.551 ( 8.104 0.325 -2.315) 8.434 8.109 ( -13.231 2.421 6.138) 14.785 8.403 ( -9.338 -4.777 0.268) 10.492 8.620 ( 0.332 0.595 -3.994) 4.051 8.879 ( -5.566 -2.710 -8.990) 10.915 9.294 ( -0.450 -2.839 2.734) 3.967 9.819 ( 3.991 -19.602 -4.787) 20.569 10.613 ( 1.976 9.195 1.062) 9.464 11.107 ( -8.115 3.122 4.483) 9.783 ======================= Grid point 54 (47/96) ======================= q-point: (-0.10 -0.10 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 1.559 7.433 -2.086) 7.876 1.404 ( 6.304 -2.031 -4.751) 8.151 1.555 ( 2.724 4.426 0.538) 5.225 1.627 ( 0.468 -0.729 -0.721) 1.127 2.064 ( -2.417 12.782 3.560) 13.487 2.231 ( 2.366 -10.261 2.480) 10.818 2.632 ( 5.307 0.749 2.849) 6.070 2.692 ( -0.727 -0.591 0.260) 0.972 3.011 ( 4.813 3.195 -5.058) 7.678 3.144 ( -1.851 -0.494 0.323) 1.943 3.377 ( 10.304 5.270 -1.417) 11.660 3.496 ( -5.628 13.518 -0.060) 14.643 3.565 ( 8.872 -0.013 5.195) 10.281 3.676 ( -1.067 6.437 5.956) 8.834 3.926 ( -1.759 10.183 -4.360) 11.216 4.147 ( 0.609 -6.513 -0.131) 6.543 4.198 ( 0.729 -1.208 -7.616) 7.746 4.273 ( -2.885 -7.851 -6.169) 10.393 4.400 ( -4.320 5.671 0.433) 7.142 4.616 ( -2.636 -12.384 2.950) 13.001 4.848 ( 4.225 7.912 1.623) 9.115 5.173 ( -4.895 -11.512 2.490) 12.755 5.603 ( 7.285 2.353 -0.022) 7.656 5.735 ( -0.166 -0.641 2.024) 2.129 5.869 ( 1.396 6.148 -0.221) 6.309 5.925 ( -0.191 -2.558 -0.842) 2.700 6.352 ( 0.871 4.297 1.773) 4.729 6.367 ( -0.741 -2.789 0.757) 2.983 6.400 ( -3.229 -1.815 1.264) 3.914 6.456 ( -0.107 -4.937 -0.646) 4.980 6.895 ( 15.672 0.199 8.905) 18.026 7.150 ( -12.054 2.205 7.809) 14.531 7.321 ( 10.764 1.176 -5.589) 12.186 7.686 ( -6.687 -4.333 -3.690) 8.781 7.848 ( -3.424 4.429 1.877) 5.904 8.101 ( -9.747 -6.525 0.785) 11.756 8.645 ( 0.029 2.217 -5.666) 6.085 8.725 ( -2.113 -4.448 -9.499) 10.699 9.326 ( -2.197 9.388 1.405) 9.744 9.536 ( 2.742 -17.051 -1.018) 17.300 10.814 ( 4.170 5.676 1.421) 7.185 10.982 ( -6.314 -1.373 2.682) 6.996 ======================= Grid point 58 (48/96) ======================= q-point: ( 0.31 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.000 13.287 3.030) 13.628 1.195 ( -0.000 17.961 -1.793) 18.050 1.378 ( 0.000 -0.332 0.057) 0.337 1.605 ( -0.000 0.449 -5.198) 5.217 1.986 ( 0.000 -3.417 -0.958) 3.549 2.112 ( -0.000 22.127 2.979) 22.326 2.250 ( 0.000 -7.520 5.350) 9.229 2.743 ( -0.000 0.144 -1.016) 1.027 2.846 ( -0.000 2.428 -6.564) 6.999 3.026 ( -0.000 6.289 4.001) 7.454 3.287 ( -0.000 7.709 1.321) 7.821 3.293 ( -0.000 2.466 -2.593) 3.579 3.594 ( -0.000 21.623 4.088) 22.006 3.746 ( 0.000 2.767 6.250) 6.836 3.766 ( -0.000 18.851 3.625) 19.196 4.101 ( 0.000 -5.445 1.372) 5.615 4.431 ( -0.000 -0.823 -1.784) 1.964 4.457 ( -0.000 6.657 -0.852) 6.712 4.663 ( 0.000 -1.682 8.513) 8.678 4.696 ( 0.000 -2.443 1.349) 2.791 4.808 ( 0.000 -21.344 -5.410) 22.018 4.946 ( -0.000 3.387 -6.052) 6.935 5.275 ( -0.000 4.388 3.016) 5.325 5.540 ( 0.000 -7.921 -1.262) 8.021 5.908 ( -0.000 10.032 -1.447) 10.136 5.958 ( 0.000 -0.420 -0.152) 0.447 6.014 ( 0.000 -6.013 -0.161) 6.015 6.236 ( 0.000 -3.022 -0.320) 3.039 6.454 ( 0.000 -7.587 0.204) 7.590 6.485 ( -0.000 1.064 -11.335) 11.385 6.895 ( 0.000 -5.756 -2.311) 6.202 7.176 ( 0.000 -3.102 7.986) 8.567 7.370 ( 0.000 0.176 0.897) 0.914 7.513 ( -0.000 1.167 -3.735) 3.913 8.163 ( -0.000 -4.541 -8.820) 9.920 8.492 ( 0.000 -6.230 -1.822) 6.491 8.566 ( 0.000 -1.033 6.957) 7.033 8.907 ( 0.000 -10.864 14.249) 17.918 9.439 ( -0.000 11.300 -4.758) 12.261 9.632 ( 0.000 -1.317 1.957) 2.359 10.689 ( -0.000 3.170 -0.740) 3.255 11.281 ( 0.000 -4.865 -4.215) 6.437 ======================= Grid point 59 (49/96) ======================= q-point: ( 0.31 -0.11 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 5.566 7.865 -3.121) 10.128 1.406 ( 1.890 3.667 0.076) 4.126 1.532 ( 2.786 11.376 -3.174) 12.135 1.618 ( 1.092 0.040 -7.443) 7.522 2.034 ( 0.790 -6.997 3.271) 7.764 2.047 ( 7.393 -4.893 1.233) 8.951 2.474 ( -2.039 15.441 -2.448) 15.766 2.799 ( 3.395 0.384 -2.361) 4.153 2.899 ( 4.487 -0.557 -4.619) 6.464 3.126 ( -3.661 7.485 1.860) 8.537 3.301 ( -3.736 -1.797 3.793) 5.619 3.374 ( 2.344 1.643 -4.764) 5.557 3.688 ( -1.524 -6.823 -6.214) 9.354 3.843 ( 3.267 0.884 3.258) 4.698 4.124 ( 0.168 13.164 2.775) 13.455 4.154 ( -1.063 9.882 6.174) 11.701 4.310 ( -3.695 -9.955 -2.316) 10.868 4.435 ( -4.856 -0.665 2.462) 5.485 4.525 ( -0.024 -0.766 -4.222) 4.291 4.582 ( -1.925 1.145 -2.140) 3.098 4.720 ( 0.972 4.275 5.648) 7.150 4.958 ( 3.522 -12.654 -1.826) 13.261 5.465 ( 3.800 10.106 -0.002) 10.796 5.560 ( 5.368 4.364 -2.791) 7.460 5.847 ( -1.273 -9.775 1.060) 9.915 5.996 ( 4.150 0.492 -1.022) 4.302 6.077 ( 0.868 5.830 0.098) 5.895 6.262 ( 6.220 -0.950 1.144) 6.395 6.339 ( -0.231 -3.305 2.159) 3.954 6.522 ( 1.898 0.910 -9.459) 9.691 6.727 ( -5.646 -4.134 -2.264) 7.355 7.072 ( -2.308 -4.570 7.970) 9.473 7.445 ( 6.250 0.501 0.422) 6.284 7.532 ( -2.663 4.526 -4.974) 7.233 8.103 ( 0.941 -4.686 -6.227) 7.850 8.348 ( -4.145 -4.484 2.778) 6.709 8.581 ( 0.898 -0.762 5.594) 5.716 8.656 ( -1.866 -10.420 13.520) 17.171 9.512 ( -6.016 0.540 -2.722) 6.625 9.729 ( -3.189 16.943 -0.065) 17.241 10.714 ( 1.985 -2.068 -2.139) 3.577 11.121 ( -3.815 -7.426 -0.653) 8.374 ======================= Grid point 60 (50/96) ======================= q-point: (-0.69 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.411 0.558 -8.786) 8.813 1.500 ( 0.869 -0.717 -0.969) 1.486 1.588 ( 1.583 -5.757 -0.923) 6.042 1.720 ( -1.822 3.520 2.324) 4.595 1.870 ( -2.210 1.732 -2.374) 3.676 2.250 ( 11.236 -1.372 -0.128) 11.320 2.609 ( -5.169 6.816 -6.056) 10.481 2.826 ( 2.386 -4.852 -2.888) 6.130 2.994 ( 4.862 -9.673 0.819) 10.857 3.035 ( 1.293 -7.470 3.761) 8.463 3.178 ( -7.382 6.591 2.395) 10.182 3.438 ( -2.635 -3.646 -9.677) 10.672 3.521 ( 3.487 -1.217 -7.840) 8.666 3.884 ( -0.119 -3.028 -5.027) 5.870 3.980 ( -1.322 -6.601 0.724) 6.771 4.108 ( -7.937 -2.673 3.193) 8.963 4.351 ( -2.306 6.605 4.836) 8.505 4.420 ( -6.764 3.020 0.642) 7.435 4.553 ( -1.883 -0.573 0.709) 2.092 4.618 ( -2.583 0.875 1.910) 3.329 4.787 ( 6.889 5.252 -2.164) 8.929 5.016 ( 8.918 10.115 3.764) 14.000 5.558 ( -0.925 -11.838 -0.721) 11.896 5.726 ( 2.767 5.217 -0.945) 5.980 5.766 ( 3.478 3.933 -2.105) 5.656 6.101 ( 3.284 0.744 -1.283) 3.603 6.155 ( 2.177 -0.559 0.316) 2.270 6.299 ( -0.360 1.167 3.113) 3.344 6.413 ( 3.723 1.659 1.044) 4.208 6.546 ( -2.548 -0.631 -0.268) 2.638 6.659 ( 7.323 1.169 -8.583) 11.343 6.969 ( 2.400 -5.038 4.005) 6.869 7.546 ( -1.870 4.065 -8.225) 9.363 7.629 ( 4.713 0.538 1.278) 4.913 7.921 ( -8.607 -5.933 -0.514) 10.466 8.169 ( -7.611 0.388 7.156) 10.455 8.483 ( 5.979 -6.086 7.604) 11.429 8.662 ( 2.326 1.771 6.947) 7.537 9.422 ( -6.952 5.204 -2.441) 9.020 9.987 ( -2.385 14.900 2.183) 15.247 10.697 ( 2.368 -5.615 -5.811) 8.420 10.897 ( -3.496 -6.318 2.771) 7.735 ======================= Grid point 61 (51/96) ======================= q-point: ( 0.31 -0.11 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -5.011 -10.547 -1.221) 11.741 1.365 ( -7.521 -2.691 -6.750) 10.458 1.505 ( -3.022 -1.015 -4.086) 5.183 1.742 ( -3.202 5.263 7.696) 9.858 1.890 ( -1.568 -0.219 0.888) 1.816 2.371 ( 3.473 -0.194 -4.650) 5.807 2.561 ( -2.207 -4.913 -4.404) 6.958 2.654 ( -4.902 -7.059 2.044) 8.834 2.700 ( 2.465 -12.708 -0.615) 12.960 3.126 ( -8.669 4.362 1.911) 9.891 3.228 ( 3.959 2.794 -2.513) 5.458 3.297 ( -1.549 0.379 1.130) 1.955 3.607 ( 1.261 0.130 -6.654) 6.773 3.732 ( -10.688 -1.480 -2.567) 11.091 3.821 ( -8.309 -3.167 1.837) 9.080 4.037 ( 7.100 -1.362 -2.253) 7.572 4.158 ( -2.831 -11.367 -0.937) 11.751 4.397 ( -4.052 4.238 3.565) 6.862 4.528 ( -2.575 1.465 1.317) 3.242 4.641 ( -3.905 7.857 6.951) 11.194 5.121 ( 8.041 8.941 -2.784) 12.343 5.242 ( 0.498 -12.456 -1.233) 12.527 5.440 ( 9.071 6.597 2.243) 11.438 5.798 ( -2.895 1.609 -2.464) 4.128 5.867 ( 1.439 0.981 -1.925) 2.596 6.061 ( -8.548 -0.046 -0.998) 8.607 6.168 ( 2.546 -1.880 2.092) 3.794 6.317 ( 2.124 0.295 2.500) 3.294 6.482 ( 3.504 3.066 -0.453) 4.678 6.586 ( 3.582 0.373 -0.456) 3.631 6.882 ( 8.584 1.829 -6.146) 10.714 7.004 ( 6.491 -3.298 -5.383) 9.055 7.307 ( -13.174 -3.732 6.223) 15.041 7.672 ( -0.071 -0.114 -3.660) 3.663 7.846 ( 1.862 0.532 -4.894) 5.263 8.164 ( 3.061 3.307 6.577) 7.973 8.544 ( 4.634 -0.621 3.852) 6.058 8.768 ( 3.414 3.114 7.227) 8.577 9.451 ( -2.903 7.179 -1.199) 7.836 10.180 ( 1.850 6.871 3.110) 7.765 10.526 ( -3.547 -7.965 -3.247) 9.304 10.844 ( 1.466 -0.534 -0.231) 1.577 ======================= Grid point 62 (52/96) ======================= q-point: ( 0.31 -0.11 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -9.903 0.000 3.653) 10.556 1.119 ( -14.454 0.000 -4.095) 15.023 1.447 ( -2.070 0.000 -3.711) 4.249 1.748 ( -7.832 0.000 10.747) 13.298 1.772 ( -4.697 0.000 5.199) 7.007 2.379 ( -0.731 0.000 -1.220) 1.422 2.467 ( -1.151 -0.000 -10.319) 10.383 2.574 ( -2.977 0.000 -2.171) 3.684 2.574 ( 3.833 -0.000 0.572) 3.876 3.004 ( -7.243 0.000 5.527) 9.111 3.069 ( -13.063 0.000 7.265) 14.947 3.438 ( -12.233 0.000 -2.135) 12.418 3.504 ( 4.325 -0.000 2.580) 5.036 3.555 ( -4.849 0.000 -5.176) 7.092 3.591 ( -8.904 0.000 1.856) 9.095 4.007 ( -1.849 0.000 0.176) 1.857 4.235 ( 11.296 -0.000 -3.060) 11.703 4.356 ( -4.081 0.000 3.015) 5.074 4.543 ( 1.896 -0.000 2.443) 3.093 4.665 ( -2.204 0.000 7.420) 7.740 5.094 ( 1.821 -0.000 -0.418) 1.868 5.345 ( 5.134 -0.000 -4.401) 6.762 5.540 ( -10.271 0.000 -0.156) 10.273 5.713 ( -6.508 0.000 1.463) 6.671 5.893 ( 1.435 -0.000 -3.870) 4.128 5.960 ( 2.768 -0.000 1.675) 3.236 6.168 ( -0.368 0.000 2.143) 2.174 6.441 ( 9.284 -0.000 -0.686) 9.310 6.634 ( 6.930 -0.000 -3.512) 7.770 6.646 ( -1.765 0.000 -1.476) 2.301 6.725 ( -15.708 0.000 0.686) 15.723 7.042 ( 6.552 -0.000 -8.192) 10.490 7.460 ( 19.292 -0.000 -0.015) 19.292 7.603 ( -4.723 0.000 -0.124) 4.725 7.876 ( -1.070 -0.000 -6.720) 6.805 8.323 ( 8.611 -0.000 3.028) 9.128 8.601 ( 1.533 -0.000 1.687) 2.279 8.871 ( 3.554 -0.000 5.387) 6.454 9.510 ( -0.108 0.000 -0.223) 0.247 10.326 ( 4.678 -0.000 -0.447) 4.699 10.390 ( -0.905 0.000 0.080) 0.909 10.840 ( -0.483 0.000 -0.433) 0.649 ======================= Grid point 65 (53/96) ======================= q-point: (-0.27 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -0.000 -2.538 -16.950) 17.139 0.850 ( -0.000 -5.378 -18.074) 18.857 1.442 ( -0.000 -12.651 -16.544) 20.827 1.461 ( -0.000 1.719 -3.037) 3.490 1.711 ( -0.000 -0.754 -8.788) 8.820 2.041 ( 0.000 1.464 3.736) 4.013 2.536 ( 0.000 -5.532 -2.270) 5.979 2.581 ( -0.000 -3.173 -5.270) 6.151 2.724 ( 0.000 0.173 0.432) 0.465 2.931 ( -0.000 -3.004 -5.226) 6.028 2.992 ( 0.000 -11.849 -2.868) 12.191 3.038 ( -0.000 -1.198 -10.674) 10.741 3.327 ( -0.000 2.428 -6.204) 6.662 3.459 ( -0.000 -2.236 -10.605) 10.838 3.717 ( 0.000 -3.409 -2.165) 4.039 4.057 ( 0.000 -9.399 -3.466) 10.018 4.290 ( -0.000 1.364 -8.919) 9.023 4.460 ( 0.000 -6.815 2.380) 7.218 4.706 ( -0.000 9.374 -5.495) 10.866 4.821 ( 0.000 1.934 9.074) 9.278 5.078 ( -0.000 7.771 -1.974) 8.018 5.335 ( 0.000 1.242 6.216) 6.339 5.359 ( -0.000 1.049 -6.827) 6.907 5.367 ( 0.000 -5.813 -0.265) 5.819 5.809 ( -0.000 3.470 0.271) 3.480 5.998 ( -0.000 2.148 1.311) 2.517 6.142 ( -0.000 2.110 -0.555) 2.182 6.284 ( 0.000 -2.866 -1.144) 3.086 6.299 ( 0.000 1.384 2.352) 2.729 6.664 ( 0.000 4.431 5.152) 6.796 6.894 ( 0.000 0.981 11.081) 11.124 7.146 ( 0.000 -2.623 5.918) 6.474 7.373 ( -0.000 -0.284 -0.467) 0.547 7.824 ( -0.000 15.761 -0.334) 15.765 8.075 ( 0.000 0.661 8.607) 8.632 8.531 ( 0.000 -4.515 7.795) 9.008 8.733 ( -0.000 1.764 -1.266) 2.172 8.735 ( 0.000 -10.438 10.258) 14.635 9.365 ( -0.000 0.076 -8.961) 8.962 10.310 ( 0.000 1.603 1.747) 2.371 10.431 ( -0.000 10.584 -6.769) 12.564 11.102 ( 0.000 -5.719 7.745) 9.628 ======================= Grid point 66 (54/96) ======================= q-point: (-0.27 -0.13 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 4.450 -0.000 -17.737) 18.287 0.823 ( 2.363 -0.000 -15.557) 15.736 1.452 ( -2.186 0.000 -2.958) 3.678 1.458 ( 14.089 -0.000 -21.451) 25.664 1.736 ( 2.806 -0.000 -6.393) 6.982 2.148 ( 7.907 -0.000 4.462) 9.079 2.413 ( -1.049 0.000 -1.746) 2.037 2.579 ( -1.829 0.000 -5.630) 5.920 2.782 ( -5.626 0.000 0.306) 5.635 2.835 ( 10.447 -0.000 1.008) 10.495 2.899 ( -1.659 -0.000 -7.174) 7.363 3.048 ( 1.834 -0.000 -12.145) 12.282 3.388 ( 2.093 -0.000 -6.532) 6.859 3.469 ( 2.830 -0.000 -9.737) 10.139 3.696 ( 0.828 -0.000 -2.132) 2.287 3.962 ( 0.037 -0.000 -2.960) 2.960 4.336 ( 2.834 -0.000 -8.710) 9.159 4.425 ( 1.737 -0.000 1.907) 2.580 4.769 ( -5.407 0.000 1.772) 5.690 4.815 ( -2.801 0.000 -0.180) 2.807 5.134 ( -0.493 -0.000 -3.873) 3.904 5.136 ( -1.018 0.000 1.803) 2.070 5.425 ( -1.152 0.000 5.687) 5.803 5.470 ( 7.574 -0.000 -7.697) 10.799 5.852 ( 0.815 -0.000 1.426) 1.643 6.044 ( 2.846 -0.000 1.057) 3.036 6.147 ( -2.011 0.000 0.036) 2.011 6.288 ( 4.759 -0.000 -5.768) 7.478 6.440 ( 9.675 -0.000 7.345) 12.147 6.695 ( -1.383 0.000 5.158) 5.340 6.781 ( -10.655 0.000 9.851) 14.511 7.071 ( -4.515 0.000 6.971) 8.306 7.412 ( 4.031 -0.000 -0.402) 4.051 7.909 ( -8.756 0.000 4.497) 9.843 8.011 ( -8.380 0.000 3.040) 8.914 8.493 ( 3.250 -0.000 7.773) 8.425 8.715 ( 5.674 -0.000 2.668) 6.270 8.744 ( 0.353 0.000 5.181) 5.193 9.404 ( 3.458 -0.000 -5.896) 6.835 10.246 ( 0.799 0.000 3.711) 3.796 10.618 ( -4.433 0.000 -0.554) 4.468 10.948 ( -4.917 0.000 0.872) 4.994 ======================= Grid point 68 (55/96) ======================= q-point: (-0.27 -0.13 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 5.340 7.664 -0.499) 9.354 1.441 ( 1.145 7.796 -0.878) 7.928 1.490 ( 4.626 10.792 -4.177) 12.463 1.684 ( 3.399 -5.543 -4.459) 7.884 1.858 ( -2.247 -1.070 2.926) 3.841 2.358 ( -0.104 -4.536 -0.869) 4.620 2.426 ( 0.165 4.660 5.506) 7.215 2.856 ( 6.053 -1.544 -2.929) 6.899 2.988 ( 2.182 10.197 -3.662) 11.052 3.056 ( 1.647 13.928 -3.335) 14.416 3.200 ( -1.370 6.535 1.667) 6.882 3.295 ( 0.357 -2.034 1.295) 2.437 3.474 ( 9.994 1.724 3.251) 10.650 3.597 ( 3.157 1.734 -4.189) 5.524 3.850 ( -0.216 6.633 -3.938) 7.717 4.131 ( -9.588 -0.057 5.049) 10.837 4.303 ( 1.355 3.306 -2.233) 4.213 4.431 ( -2.293 -2.994 -3.550) 5.179 4.512 ( 0.967 9.185 0.290) 9.240 4.611 ( 2.444 -8.186 -8.168) 11.819 4.902 ( -3.750 -15.350 7.682) 17.569 5.278 ( 1.154 -7.088 3.314) 7.909 5.523 ( 0.513 7.759 0.089) 7.776 5.703 ( 2.312 -0.051 -0.645) 2.401 5.818 ( 5.996 -0.444 0.198) 6.016 5.992 ( -2.989 -1.580 -2.033) 3.945 6.239 ( 1.459 3.142 0.561) 3.510 6.373 ( -3.330 -1.245 1.983) 4.071 6.431 ( -2.717 -4.147 2.204) 5.425 6.563 ( 0.777 -3.843 -0.348) 3.936 6.771 ( 14.135 -0.315 3.447) 14.553 6.973 ( -8.015 3.661 3.127) 9.350 7.406 ( 2.562 -0.841 -2.016) 3.366 7.716 ( -7.137 4.327 2.587) 8.738 7.772 ( 0.143 -0.735 -1.010) 1.258 8.207 ( -6.923 -6.317 1.522) 9.495 8.687 ( -1.115 2.364 -2.842) 3.861 8.905 ( -1.499 0.920 -1.681) 2.433 9.269 ( -0.206 -6.439 -0.111) 6.443 9.947 ( 1.232 -20.383 -2.748) 20.604 10.634 ( 1.954 10.826 0.882) 11.036 10.906 ( -4.128 2.415 2.631) 5.459 ======================= Grid point 69 (56/96) ======================= q-point: ( 0.73 -0.13 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -4.465 7.443 -2.056) 8.920 1.520 ( -0.549 -0.041 0.393) 0.677 1.612 ( -1.166 -4.332 -0.779) 4.553 1.652 ( -0.994 -5.048 0.851) 5.215 1.936 ( 1.451 15.287 1.344) 15.414 2.226 ( 3.382 -11.376 3.176) 12.286 2.523 ( -5.659 7.888 -0.222) 9.710 2.762 ( -0.048 -9.214 2.571) 9.566 3.093 ( -0.843 1.858 -3.742) 4.262 3.197 ( 2.832 -3.304 -0.227) 4.357 3.329 ( -10.182 8.041 0.635) 12.990 3.431 ( -5.724 8.741 0.956) 10.493 3.526 ( 2.008 5.836 3.378) 7.036 3.692 ( 8.952 -2.712 3.241) 9.900 4.057 ( 5.256 3.850 -4.455) 7.893 4.117 ( 1.091 8.749 4.670) 9.977 4.311 ( -0.650 -2.647 -0.834) 2.851 4.347 ( 1.922 -5.046 -2.909) 6.133 4.427 ( -0.868 -9.471 -7.696) 12.235 4.519 ( -0.390 -7.706 2.607) 8.144 4.869 ( 1.745 13.342 3.762) 13.971 5.052 ( -3.773 -10.407 -1.550) 11.178 5.622 ( -5.013 0.067 1.551) 5.248 5.710 ( 2.239 -0.259 0.608) 2.334 5.838 ( -4.848 3.605 -0.732) 6.085 5.979 ( 3.351 -3.249 1.171) 4.812 6.311 ( -1.982 4.158 0.626) 4.648 6.336 ( -1.452 0.629 -1.168) 1.967 6.373 ( 1.912 -0.736 1.107) 2.328 6.470 ( 1.330 -5.096 -0.304) 5.275 6.756 ( -14.266 0.182 3.227) 14.628 7.030 ( 11.328 1.640 3.687) 12.025 7.422 ( -12.644 -1.045 -0.553) 12.699 7.705 ( 12.929 2.442 -3.930) 13.732 7.843 ( -5.607 1.329 3.319) 6.650 8.057 ( 9.521 -3.711 -1.882) 10.390 8.735 ( -2.063 4.071 -4.439) 6.367 8.869 ( 2.153 -1.992 -5.758) 6.462 9.285 ( 0.461 8.291 0.779) 8.341 9.592 ( 1.454 -19.649 1.016) 19.729 10.800 ( -3.789 4.520 1.877) 6.189 10.911 ( 4.595 1.250 0.254) 4.769 ======================= Grid point 70 (57/96) ======================= q-point: (-0.27 -0.13 -0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -8.816 -9.185 0.753) 12.754 1.368 ( -7.530 0.485 -6.199) 9.766 1.504 ( -3.692 -2.729 -1.812) 4.936 1.588 ( -2.939 2.244 1.533) 4.003 2.067 ( 3.900 -12.221 2.088) 12.997 2.245 ( 4.000 9.113 -2.819) 10.344 2.366 ( -14.744 0.131 2.098) 14.893 2.700 ( 0.725 0.120 0.637) 0.973 3.067 ( -9.313 -1.940 -2.949) 9.959 3.105 ( -2.584 -2.520 -5.396) 6.492 3.208 ( 0.097 -0.191 4.644) 4.649 3.365 ( -3.554 -1.010 1.686) 4.061 3.590 ( 4.067 -17.250 1.117) 17.758 3.686 ( 1.042 -9.352 -6.458) 11.413 4.064 ( 2.407 -9.545 -4.452) 10.804 4.163 ( -0.184 4.768 -2.730) 5.497 4.314 ( 1.455 -0.048 -0.809) 1.665 4.421 ( 4.211 5.202 -0.945) 6.759 4.478 ( 2.795 1.900 -0.612) 3.435 4.601 ( 2.904 17.904 6.676) 19.328 4.770 ( -2.279 -11.137 -4.256) 12.139 5.107 ( -2.411 6.995 6.938) 10.143 5.486 ( -5.853 0.425 -1.797) 6.137 5.625 ( -6.615 2.006 0.430) 6.926 5.841 ( 1.202 -8.020 1.288) 8.211 5.984 ( 0.870 3.604 -1.074) 3.860 6.204 ( -10.508 -0.719 0.583) 10.549 6.335 ( -0.846 0.640 0.641) 1.239 6.401 ( 2.119 3.679 0.782) 4.318 6.529 ( -8.107 1.560 1.696) 8.428 6.576 ( 6.221 0.734 3.117) 6.997 7.198 ( 1.900 -6.614 2.856) 7.451 7.286 ( 3.809 6.987 -1.142) 8.039 7.614 ( -8.864 -1.211 -1.946) 9.156 8.007 ( 7.610 1.211 3.940) 8.654 8.295 ( 10.212 2.734 0.851) 10.606 8.711 ( -1.787 -0.013 -2.557) 3.119 8.992 ( 6.352 1.273 -5.086) 8.237 9.310 ( 0.959 -9.473 2.277) 9.790 9.556 ( 1.516 16.391 -3.265) 16.782 10.724 ( -2.677 -3.877 0.625) 4.753 11.047 ( 6.171 -0.135 2.940) 6.837 ======================= Grid point 72 (58/96) ======================= q-point: ( 0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -0.000 16.143 -0.000) 16.143 0.838 ( -0.000 21.658 -0.000) 21.658 1.384 ( 0.000 -0.556 0.000) 0.556 1.494 ( -0.000 34.070 -0.000) 34.070 1.612 ( -0.000 2.759 -0.000) 2.759 2.070 ( 0.000 -3.861 0.000) 3.861 2.342 ( 0.000 -6.261 0.000) 6.261 2.757 ( -0.000 0.246 -0.000) 0.246 2.838 ( -0.000 6.216 -0.000) 6.216 2.854 ( -0.000 5.704 -0.000) 5.704 3.078 ( -0.000 24.013 -0.000) 24.013 3.134 ( -0.000 9.236 -0.000) 9.236 3.242 ( -0.000 3.979 -0.000) 3.979 3.421 ( -0.000 11.726 -0.000) 11.726 3.656 ( -0.000 0.414 -0.000) 0.414 4.133 ( -0.000 1.007 -0.000) 1.007 4.242 ( -0.000 14.520 -0.000) 14.520 4.482 ( -0.000 0.324 -0.000) 0.324 4.610 ( 0.000 -8.281 0.000) 8.281 4.642 ( -0.000 6.498 -0.000) 6.498 4.991 ( 0.000 -0.939 0.000) 0.939 5.201 ( 0.000 -0.396 0.000) 0.396 5.242 ( 0.000 -17.313 0.000) 17.313 5.719 ( 0.000 -7.948 0.000) 7.948 5.749 ( -0.000 8.893 -0.000) 8.893 5.978 ( 0.000 -1.754 0.000) 1.754 6.119 ( 0.000 -4.388 0.000) 4.388 6.299 ( 0.000 -2.784 0.000) 2.784 6.627 ( 0.000 -9.176 0.000) 9.176 6.660 ( -0.000 0.711 -0.000) 0.711 6.976 ( 0.000 -5.157 0.000) 5.157 7.172 ( 0.000 -5.120 0.000) 5.120 7.361 ( 0.000 -0.115 0.000) 0.115 7.509 ( -0.000 2.050 -0.000) 2.050 8.428 ( -0.000 1.132 -0.000) 1.132 8.443 ( 0.000 -7.316 0.000) 7.316 8.659 ( 0.000 -4.634 0.000) 4.634 8.915 ( 0.000 -8.767 0.000) 8.767 9.380 ( 0.000 -0.806 0.000) 0.806 9.596 ( -0.000 1.832 -0.000) 1.832 10.586 ( -0.000 8.163 -0.000) 8.163 11.427 ( 0.000 -3.972 0.000) 3.972 ======================= Grid point 73 (59/96) ======================= q-point: ( 0.14 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 11.474 12.361 -0.000) 16.865 1.235 ( 1.320 15.913 -0.000) 15.968 1.423 ( 3.952 2.190 -0.000) 4.519 1.648 ( -1.386 2.674 0.000) 3.012 2.072 ( 2.581 15.868 -0.000) 16.077 2.125 ( 9.931 5.481 -0.000) 11.343 2.190 ( 0.098 -9.941 0.000) 9.941 2.821 ( 4.081 0.352 -0.000) 4.096 2.940 ( 3.280 4.039 -0.000) 5.203 2.946 ( -3.758 7.707 0.000) 8.574 3.239 ( -1.373 1.822 0.000) 2.281 3.364 ( 3.851 4.086 -0.000) 5.615 3.594 ( 2.291 25.450 -0.000) 25.553 3.612 ( -2.573 11.591 0.000) 11.873 3.824 ( 6.392 9.767 -0.000) 11.672 4.080 ( -0.994 -6.495 0.000) 6.570 4.368 ( -8.304 -4.319 0.000) 9.361 4.433 ( -5.674 8.158 0.000) 9.937 4.548 ( 3.630 5.326 -0.000) 6.446 4.637 ( -4.378 -3.564 0.000) 5.645 4.849 ( -1.319 -21.264 0.000) 21.305 5.152 ( 9.885 -1.562 -0.000) 10.008 5.304 ( 5.927 5.110 -0.000) 7.826 5.572 ( 2.348 -5.595 -0.000) 6.068 5.908 ( -1.206 9.997 -0.000) 10.069 5.984 ( 0.523 -4.929 0.000) 4.956 6.032 ( 4.476 -2.128 -0.000) 4.956 6.288 ( 3.889 -1.765 -0.000) 4.271 6.442 ( -0.860 -8.698 0.000) 8.741 6.668 ( -1.462 -2.105 0.000) 2.563 6.855 ( -2.101 -3.850 0.000) 4.386 7.027 ( -1.854 -5.353 0.000) 5.665 7.419 ( 5.416 0.747 -0.000) 5.467 7.520 ( -3.632 3.543 0.000) 5.074 8.336 ( 1.158 -6.722 0.000) 6.822 8.407 ( -4.478 -3.530 0.000) 5.702 8.539 ( 1.508 -4.274 -0.000) 4.532 8.684 ( -5.084 -9.153 0.000) 10.470 9.458 ( -2.369 10.703 -0.000) 10.962 9.560 ( -4.336 -2.726 0.000) 5.122 10.714 ( 1.550 3.871 -0.000) 4.170 11.271 ( -5.216 -5.686 0.000) 7.716 ======================= Grid point 74 (60/96) ======================= q-point: ( 0.14 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 4.450 6.879 -0.000) 8.193 1.419 ( 0.198 4.825 -0.000) 4.829 1.603 ( 1.648 5.261 -0.000) 5.513 1.641 ( -3.268 1.170 0.000) 3.471 2.000 ( 1.988 -10.732 0.000) 10.914 2.277 ( 10.314 -0.181 -0.000) 10.315 2.478 ( 0.454 11.565 -0.000) 11.574 2.905 ( 4.257 1.804 -0.000) 4.623 2.988 ( -7.622 8.345 0.000) 11.302 3.107 ( 11.172 -4.185 -0.000) 11.930 3.134 ( -4.500 -6.154 0.000) 7.624 3.528 ( 5.639 3.490 -0.000) 6.631 3.755 ( -2.329 -2.741 0.000) 3.597 3.883 ( 1.740 -5.931 -0.000) 6.181 4.006 ( -8.385 2.572 0.000) 8.771 4.038 ( 1.092 16.261 -0.000) 16.298 4.227 ( -5.263 7.415 0.000) 9.093 4.359 ( -1.699 -16.536 0.000) 16.623 4.462 ( -9.364 8.273 0.000) 12.495 4.556 ( -0.184 4.586 -0.000) 4.590 4.831 ( 11.693 4.415 -0.000) 12.499 4.994 ( -1.334 -16.408 0.000) 16.462 5.568 ( 5.902 8.866 -0.000) 10.651 5.704 ( 5.500 3.333 -0.000) 6.431 5.807 ( -1.766 -9.981 0.000) 10.136 6.049 ( -1.462 7.194 -0.000) 7.341 6.174 ( 9.009 -3.283 -0.000) 9.589 6.313 ( 1.022 -4.082 -0.000) 4.208 6.373 ( 4.624 0.986 -0.000) 4.728 6.559 ( -5.731 -0.054 0.000) 5.731 6.830 ( 6.141 -0.378 -0.000) 6.153 6.940 ( 4.276 -5.898 -0.000) 7.285 7.545 ( -3.243 7.692 0.000) 8.347 7.588 ( 7.308 1.755 -0.000) 7.515 8.062 ( -14.731 -8.119 0.000) 16.820 8.161 ( -8.244 -6.330 0.000) 10.393 8.530 ( 5.076 -5.910 -0.000) 7.790 8.547 ( 0.897 0.283 -0.000) 0.940 9.393 ( -6.782 -0.865 0.000) 6.837 9.662 ( -3.527 16.573 -0.000) 16.944 10.801 ( 4.031 -0.020 -0.000) 4.031 11.033 ( -5.589 -8.374 0.000) 10.068 ======================= Grid point 75 (61/96) ======================= q-point: ( 0.14 -0.14 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -5.456 -6.151 0.000) 8.222 1.422 ( -6.009 2.238 0.000) 6.412 1.567 ( -3.512 -1.139 0.000) 3.692 1.599 ( -0.098 -1.679 0.000) 1.682 1.914 ( -0.017 -3.261 0.000) 3.261 2.428 ( 4.085 0.845 -0.000) 4.171 2.585 ( -1.973 3.987 0.000) 4.448 2.846 ( -5.126 -12.832 0.000) 13.818 2.976 ( -8.195 6.322 0.000) 10.350 2.982 ( 6.746 -12.352 -0.000) 14.074 3.200 ( 8.367 -0.381 -0.000) 8.375 3.412 ( -13.136 -10.169 0.000) 16.612 3.682 ( 4.526 0.466 -0.000) 4.550 3.782 ( -10.307 -1.669 0.000) 10.442 3.835 ( -6.656 -1.851 0.000) 6.909 4.157 ( 6.779 -7.243 -0.000) 9.921 4.230 ( -2.353 6.782 0.000) 7.178 4.274 ( -5.735 5.570 0.000) 7.995 4.456 ( -5.874 6.476 0.000) 8.743 4.556 ( -1.297 -11.359 0.000) 11.433 4.937 ( 6.539 12.046 -0.000) 13.706 5.222 ( 12.077 10.335 -0.000) 15.895 5.546 ( -0.955 -14.349 0.000) 14.380 5.786 ( -2.819 1.836 0.000) 3.364 5.809 ( 3.812 5.965 -0.000) 7.079 6.071 ( -7.649 1.689 0.000) 7.833 6.214 ( 4.296 -4.051 -0.000) 5.905 6.299 ( 3.123 -1.737 -0.000) 3.574 6.435 ( 1.607 2.529 -0.000) 2.996 6.553 ( 1.859 3.191 -0.000) 3.693 6.988 ( 8.797 -3.108 -0.000) 9.330 7.074 ( 16.755 -0.133 -0.000) 16.755 7.348 ( -23.465 -7.566 0.000) 24.655 7.695 ( 2.274 6.433 -0.000) 6.823 7.910 ( -9.312 -0.068 0.000) 9.312 7.978 ( 11.158 2.066 -0.000) 11.348 8.565 ( 5.462 -2.774 -0.000) 6.126 8.590 ( 1.170 3.229 -0.000) 3.435 9.329 ( -3.922 5.547 0.000) 6.793 9.920 ( -2.230 16.357 -0.000) 16.508 10.753 ( -4.513 -10.530 0.000) 11.456 10.875 ( 5.515 -2.126 -0.000) 5.911 ======================= Grid point 76 (62/96) ======================= q-point: ( 0.14 -0.14 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -9.622 -15.126 0.000) 17.927 1.202 ( -15.201 -2.116 0.000) 15.348 1.500 ( -2.600 -0.153 0.000) 2.604 1.574 ( -5.247 1.746 0.000) 5.530 1.771 ( -7.259 -4.389 0.000) 8.483 2.491 ( -0.208 3.096 -0.000) 3.103 2.517 ( -2.209 -12.279 0.000) 12.477 2.615 ( 1.587 0.232 -0.000) 1.604 2.782 ( 3.548 -14.556 -0.000) 14.983 2.921 ( -9.115 1.569 0.000) 9.249 2.951 ( -18.705 0.108 0.000) 18.706 3.392 ( 3.919 5.209 -0.000) 6.518 3.517 ( -14.592 -4.244 0.000) 15.196 3.629 ( -8.706 -0.073 0.000) 8.706 3.650 ( -1.646 -5.977 0.000) 6.200 4.112 ( -2.750 -9.482 0.000) 9.872 4.252 ( 1.856 1.877 -0.000) 2.640 4.288 ( 2.679 1.978 -0.000) 3.330 4.476 ( -4.023 5.871 0.000) 7.117 4.524 ( 5.926 1.868 -0.000) 6.213 5.260 ( 1.475 -11.427 0.000) 11.522 5.303 ( 6.148 6.569 -0.000) 8.997 5.509 ( -5.174 4.257 0.000) 6.701 5.686 ( -8.937 0.659 0.000) 8.962 5.887 ( -2.571 2.955 0.000) 3.917 5.968 ( 3.885 -0.134 -0.000) 3.888 6.180 ( 1.048 -3.888 -0.000) 4.027 6.434 ( 10.274 1.055 -0.000) 10.328 6.608 ( 5.332 4.848 -0.000) 7.206 6.622 ( -7.366 3.152 0.000) 8.012 6.792 ( -10.377 -5.134 0.000) 11.578 7.144 ( 9.033 -1.111 -0.000) 9.102 7.415 ( 14.126 3.861 -0.000) 14.644 7.650 ( -3.321 -4.012 0.000) 5.208 7.938 ( -0.056 4.506 -0.000) 4.506 8.241 ( 10.709 1.378 -0.000) 10.797 8.606 ( 1.671 -0.623 -0.000) 1.784 8.737 ( 5.350 5.307 -0.000) 7.536 9.427 ( -0.128 7.594 -0.000) 7.595 10.185 ( 0.979 13.830 -0.000) 13.865 10.489 ( -2.911 -9.064 0.000) 9.520 10.908 ( 4.048 -5.356 -0.000) 6.714 ======================= Grid point 77 (63/96) ======================= q-point: ( 0.14 -0.14 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -14.648 0.000 0.000) 14.648 0.822 ( -19.813 0.000 0.000) 19.813 1.298 ( -24.171 0.000 0.000) 24.171 1.451 ( -2.324 0.000 0.000) 2.324 1.622 ( -3.246 0.000 0.000) 3.246 2.368 ( -0.382 0.000 0.000) 0.382 2.515 ( -2.841 0.000 0.000) 2.841 2.571 ( -15.079 0.000 0.000) 15.079 2.677 ( 5.965 -0.000 -0.000) 5.965 2.688 ( 2.663 -0.000 -0.000) 2.663 2.855 ( -5.337 0.000 0.000) 5.337 3.141 ( -16.692 0.000 0.000) 16.692 3.426 ( -7.149 0.000 0.000) 7.149 3.477 ( -7.745 0.000 0.000) 7.745 3.577 ( 3.892 -0.000 -0.000) 3.892 3.956 ( -2.786 0.000 0.000) 2.786 4.236 ( -4.546 0.000 0.000) 4.546 4.372 ( 3.614 -0.000 -0.000) 3.614 4.491 ( -1.320 0.000 0.000) 1.320 4.725 ( 10.030 -0.000 -0.000) 10.030 5.140 ( 2.043 -0.000 -0.000) 2.043 5.250 ( -15.912 0.000 0.000) 15.912 5.490 ( 0.105 -0.000 -0.000) 0.105 5.505 ( -5.680 0.000 0.000) 5.680 5.965 ( 0.707 -0.000 -0.000) 0.707 6.076 ( 6.687 -0.000 -0.000) 6.687 6.147 ( 0.081 -0.000 -0.000) 0.081 6.267 ( -17.854 0.000 0.000) 17.854 6.685 ( 13.578 -0.000 -0.000) 13.578 6.769 ( 3.013 -0.000 -0.000) 3.013 6.857 ( 9.804 -0.000 -0.000) 9.804 7.299 ( 7.747 -0.000 -0.000) 7.747 7.496 ( -5.413 0.000 0.000) 5.413 7.823 ( 16.229 -0.000 -0.000) 16.229 7.872 ( -7.417 0.000 0.000) 7.417 8.409 ( 4.623 -0.000 -0.000) 4.623 8.614 ( 0.817 -0.000 -0.000) 0.817 8.936 ( 8.046 -0.000 -0.000) 8.046 9.533 ( 1.645 -0.000 -0.000) 1.645 10.348 ( -1.630 0.000 0.000) 1.630 10.476 ( 7.701 -0.000 -0.000) 7.701 10.810 ( -2.390 0.000 0.000) 2.390 ======================= Grid point 79 (64/96) ======================= q-point: (-0.44 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -0.000 0.605 -11.382) 11.398 1.278 ( -0.000 -5.488 -15.296) 16.250 1.454 ( -0.000 4.040 -1.346) 4.258 1.618 ( -0.000 4.554 -3.155) 5.541 1.946 ( 0.000 1.003 2.834) 3.006 1.971 ( 0.000 -6.215 -3.491) 7.128 2.596 ( -0.000 5.691 -7.010) 9.029 2.723 ( 0.000 -0.428 -0.048) 0.431 2.783 ( -0.000 -2.039 -4.151) 4.625 3.200 ( 0.000 -13.747 -3.492) 14.183 3.230 ( -0.000 0.767 -8.069) 8.105 3.314 ( -0.000 6.474 -2.072) 6.798 3.342 ( 0.000 -15.133 -5.942) 16.258 3.798 ( -0.000 -10.417 -12.511) 16.280 3.845 ( 0.000 -4.230 -0.185) 4.234 4.334 ( 0.000 -10.253 -3.425) 10.810 4.357 ( -0.000 7.645 -4.380) 8.811 4.549 ( 0.000 -7.237 6.405) 9.665 4.551 ( -0.000 10.959 0.661) 10.979 4.672 ( 0.000 -5.089 1.834) 5.409 4.826 ( -0.000 13.313 9.955) 16.624 4.982 ( -0.000 12.370 2.197) 12.563 5.468 ( -0.000 3.091 -7.508) 8.120 5.657 ( 0.000 -12.418 -1.126) 12.469 5.667 ( -0.000 9.797 1.267) 9.879 5.955 ( 0.000 0.399 0.468) 0.615 6.146 ( -0.000 3.778 -3.840) 5.387 6.216 ( 0.000 1.064 3.025) 3.206 6.328 ( -0.000 0.306 -2.330) 2.350 6.480 ( 0.000 4.011 3.779) 5.511 6.741 ( 0.000 -2.146 4.552) 5.033 7.130 ( 0.000 -5.580 4.683) 7.285 7.387 ( 0.000 -0.368 0.208) 0.422 7.606 ( -0.000 7.953 -0.717) 7.985 7.968 ( 0.000 -0.928 1.402) 1.681 8.428 ( 0.000 0.656 4.739) 4.784 8.679 ( 0.000 1.573 3.231) 3.594 8.720 ( 0.000 -13.250 14.702) 19.792 9.506 ( -0.000 1.374 -6.700) 6.839 10.078 ( -0.000 18.117 -2.192) 18.249 10.554 ( 0.000 -7.336 -2.051) 7.618 11.068 ( 0.000 -5.071 4.262) 6.624 ======================= Grid point 80 (65/96) ======================= q-point: (-0.44 -0.16 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.045 -0.840 -14.558) 14.583 1.220 ( 4.722 -8.208 -10.409) 14.072 1.506 ( -1.366 1.547 -3.402) 3.979 1.703 ( 3.046 4.330 -7.942) 9.544 1.912 ( 0.018 -1.365 -7.007) 7.139 2.069 ( 9.097 0.992 3.028) 9.638 2.559 ( -1.229 -9.265 -2.053) 9.569 2.690 ( -3.341 1.006 -8.265) 8.972 2.809 ( 7.900 0.841 0.009) 7.944 2.912 ( -5.200 -11.922 0.713) 13.026 3.121 ( -1.802 -4.573 -12.557) 13.484 3.271 ( 2.346 1.028 -10.689) 10.992 3.442 ( -0.522 6.468 -3.846) 7.543 3.662 ( -1.666 0.070 -11.168) 11.292 3.821 ( 4.287 -6.674 -2.536) 8.328 4.123 ( -1.277 -8.978 -3.749) 9.813 4.421 ( -0.223 -2.589 1.469) 2.986 4.478 ( 1.977 0.866 -6.378) 6.733 4.595 ( -3.778 0.181 8.945) 9.712 4.759 ( -0.264 9.871 -1.438) 9.979 4.992 ( 0.226 6.672 7.319) 9.906 5.194 ( -0.408 6.478 5.559) 8.546 5.369 ( -3.180 -9.029 -2.137) 9.808 5.618 ( 6.514 1.057 -7.332) 9.864 5.800 ( -0.319 4.400 0.149) 4.414 6.009 ( 3.977 0.835 1.108) 4.212 6.166 ( -1.466 1.032 -1.981) 2.672 6.340 ( 7.365 1.146 1.759) 7.658 6.378 ( 3.913 1.640 -3.099) 5.254 6.548 ( -1.140 3.656 4.338) 5.787 6.638 ( -5.422 -1.765 5.069) 7.629 6.989 ( -4.156 -4.107 4.977) 7.675 7.431 ( 4.749 -0.377 -0.889) 4.846 7.711 ( -4.659 8.147 1.107) 9.450 7.988 ( -2.171 -1.966 3.798) 4.796 8.380 ( 1.825 -4.430 8.393) 9.664 8.517 ( -0.488 -3.404 12.770) 13.225 8.744 ( 2.391 1.502 2.254) 3.613 9.512 ( -2.267 2.673 -7.061) 7.883 10.231 ( 0.092 -2.387 5.074) 5.608 10.534 ( -1.753 6.774 -5.835) 9.111 10.945 ( -3.108 -3.646 4.642) 6.671 ======================= Grid point 81 (66/96) ======================= q-point: (-0.44 -0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.907 -0.000 -7.059) 7.117 1.187 ( 1.473 -0.000 -14.300) 14.376 1.467 ( -2.865 0.000 -4.037) 4.950 1.874 ( 5.425 -0.000 -0.896) 5.499 1.892 ( 1.077 -0.000 -4.211) 4.347 2.251 ( 6.394 -0.000 -1.479) 6.563 2.404 ( -2.646 0.000 -1.021) 2.836 2.642 ( -5.587 0.000 1.427) 5.766 2.650 ( -3.812 0.000 -6.569) 7.595 3.061 ( 14.307 -0.000 1.636) 14.401 3.072 ( 2.001 -0.000 -9.887) 10.088 3.330 ( 1.317 -0.000 -9.960) 10.046 3.481 ( -1.100 0.000 -3.031) 3.224 3.690 ( 0.955 -0.000 -8.571) 8.624 3.760 ( -1.726 0.000 -3.735) 4.114 4.012 ( -0.095 -0.000 -2.061) 2.063 4.293 ( -11.136 0.000 6.418) 12.853 4.493 ( -1.377 -0.000 -4.470) 4.678 4.589 ( 1.590 -0.000 4.057) 4.357 4.873 ( -1.012 -0.000 -3.845) 3.976 5.082 ( -0.803 0.000 1.494) 1.696 5.120 ( 1.447 0.000 6.139) 6.307 5.370 ( 6.369 -0.000 1.847) 6.632 5.743 ( 4.206 -0.000 -5.316) 6.779 5.827 ( -0.736 0.000 -0.469) 0.872 6.116 ( 5.665 -0.000 1.381) 5.831 6.134 ( -2.845 0.000 -2.209) 3.602 6.446 ( -5.113 0.000 2.408) 5.651 6.484 ( 2.728 -0.000 4.640) 5.382 6.524 ( 5.431 -0.000 -0.082) 5.431 6.630 ( 5.686 -0.000 -3.132) 6.491 6.861 ( -3.559 0.000 3.619) 5.076 7.541 ( 5.948 -0.000 -2.229) 6.351 7.700 ( -15.659 0.000 4.777) 16.371 7.768 ( -0.791 0.000 0.387) 0.880 8.339 ( -4.155 0.000 5.906) 7.222 8.589 ( 5.830 -0.000 11.890) 13.242 8.820 ( 4.124 -0.000 1.552) 4.406 9.516 ( -1.012 -0.000 -3.810) 3.943 10.203 ( 2.301 -0.000 3.420) 4.122 10.532 ( -5.612 0.000 -1.154) 5.730 10.863 ( -2.038 0.000 0.627) 2.132 ======================= Grid point 94 (67/96) ======================= q-point: ( 0.39 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.000 11.081 -2.757) 11.419 1.389 ( -0.000 1.816 0.067) 1.817 1.500 ( -0.000 14.106 -4.673) 14.860 1.608 ( -0.000 -0.793 -9.700) 9.732 1.931 ( 0.000 -2.306 0.095) 2.308 2.067 ( 0.000 -8.687 5.302) 10.177 2.496 ( -0.000 16.597 -1.749) 16.689 2.738 ( 0.000 -0.616 -0.429) 0.751 2.882 ( -0.000 1.027 -7.021) 7.096 3.163 ( -0.000 8.358 1.149) 8.437 3.341 ( -0.000 2.602 -5.260) 5.868 3.350 ( 0.000 -1.809 3.924) 4.321 3.717 ( 0.000 -9.355 -6.654) 11.481 3.791 ( 0.000 1.674 6.578) 6.788 4.112 ( -0.000 13.728 2.263) 13.913 4.173 ( -0.000 16.104 6.369) 17.318 4.352 ( 0.000 -15.982 -5.202) 16.807 4.486 ( 0.000 -2.604 -1.418) 2.965 4.504 ( -0.000 4.031 -0.441) 4.055 4.598 ( 0.000 -7.109 1.618) 7.291 4.758 ( -0.000 8.189 3.649) 8.965 4.894 ( 0.000 -10.230 -2.828) 10.614 5.425 ( -0.000 11.096 0.824) 11.127 5.504 ( -0.000 4.081 -2.629) 4.855 5.862 ( 0.000 -10.358 1.222) 10.430 5.952 ( 0.000 -0.229 -0.036) 0.232 6.078 ( -0.000 8.064 -1.008) 8.127 6.185 ( 0.000 -2.306 1.025) 2.523 6.344 ( 0.000 -3.630 2.161) 4.225 6.505 ( -0.000 1.035 -10.318) 10.370 6.790 ( 0.000 -5.404 -0.734) 5.454 7.108 ( 0.000 -4.048 8.199) 9.144 7.373 ( 0.000 0.132 1.028) 1.037 7.562 ( -0.000 3.579 -4.657) 5.873 8.073 ( -0.000 -4.765 -5.872) 7.562 8.389 ( 0.000 -4.063 1.534) 4.343 8.565 ( 0.000 0.769 5.989) 6.038 8.688 ( 0.000 -12.242 12.773) 17.692 9.574 ( -0.000 1.535 -3.652) 3.962 9.765 ( -0.000 15.766 0.631) 15.779 10.694 ( 0.000 -2.320 -1.921) 3.012 11.160 ( 0.000 -7.806 -0.697) 7.837 ======================= Grid point 95 (68/96) ======================= q-point: (-0.61 -0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 1.572 3.613 -9.258) 10.061 1.476 ( 1.331 3.330 -0.730) 3.660 1.543 ( 2.178 -7.736 -4.582) 9.251 1.716 ( 0.607 7.169 -5.552) 9.088 1.946 ( -3.826 1.186 1.768) 4.379 2.015 ( 10.694 -0.652 1.329) 10.796 2.696 ( -3.358 6.885 -6.484) 10.036 2.802 ( 6.018 0.170 -0.523) 6.043 2.843 ( 0.058 -5.198 -2.907) 5.956 3.125 ( -5.646 -12.723 3.106) 14.262 3.299 ( -4.173 8.006 -0.176) 9.030 3.420 ( 2.689 2.762 -7.439) 8.378 3.510 ( -0.949 -8.136 -9.975) 12.907 3.839 ( 3.489 -2.057 1.699) 4.392 3.996 ( -1.356 -9.791 -6.401) 11.776 4.274 ( -7.720 -0.630 1.928) 7.982 4.390 ( -1.441 6.159 3.054) 7.024 4.501 ( 0.242 4.606 1.394) 4.818 4.561 ( 4.442 3.883 1.105) 6.003 4.623 ( -1.759 -9.419 1.206) 9.657 4.682 ( 2.320 6.350 1.398) 6.903 4.941 ( -0.509 11.150 2.368) 11.410 5.580 ( -1.370 -7.552 -1.347) 7.792 5.672 ( 2.548 8.713 -0.161) 9.080 5.692 ( 3.801 0.192 -1.853) 4.233 5.992 ( 4.706 -0.426 0.139) 4.727 6.149 ( -0.165 1.550 0.139) 1.564 6.289 ( 6.451 3.660 0.521) 7.435 6.312 ( -0.141 0.305 3.923) 3.937 6.545 ( 2.075 1.306 -7.219) 7.624 6.654 ( -3.836 -3.487 -1.387) 5.366 6.987 ( -3.105 -4.298 5.898) 7.931 7.452 ( 6.902 0.259 -0.645) 6.937 7.618 ( -1.399 4.331 -3.493) 5.738 8.023 ( 0.115 -3.849 -2.949) 4.850 8.301 ( -4.624 -0.543 4.645) 6.576 8.414 ( -1.100 -12.028 12.092) 17.091 8.622 ( 2.266 2.000 5.691) 6.444 9.551 ( -5.505 3.564 -3.510) 7.438 10.032 ( -1.982 12.869 2.852) 13.329 10.653 ( 1.739 -2.987 -5.501) 6.497 10.969 ( -3.172 -8.159 2.943) 9.236 ======================= Grid point 96 (69/96) ======================= q-point: (-0.61 -0.19 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -2.978 -8.340 -4.708) 10.029 1.439 ( -0.339 -0.225 -8.791) 8.800 1.550 ( -1.030 0.039 -3.568) 3.714 1.792 ( -2.293 3.856 3.529) 5.708 1.933 ( -3.281 2.622 -2.097) 4.694 2.242 ( 10.338 0.783 -0.363) 10.374 2.584 ( 0.108 -11.582 -2.301) 11.809 2.709 ( -4.871 -6.978 -1.287) 8.607 2.773 ( -6.992 -3.261 -1.052) 7.786 3.017 ( 12.202 1.346 0.109) 12.277 3.288 ( -7.209 2.765 -4.655) 9.016 3.387 ( -4.239 0.890 -5.730) 7.183 3.558 ( 3.760 2.600 -7.668) 8.927 3.824 ( 0.484 -1.906 -6.514) 6.804 3.885 ( -0.367 -4.214 -0.628) 4.276 4.072 ( -6.929 -1.491 3.719) 8.004 4.260 ( -7.816 -10.767 0.842) 13.331 4.463 ( -2.011 4.550 3.329) 5.986 4.573 ( -0.839 -1.123 -0.834) 1.631 4.716 ( -3.572 10.925 3.787) 12.102 4.962 ( 7.800 8.240 0.165) 11.348 5.183 ( 5.846 2.749 0.446) 6.476 5.322 ( 0.540 -8.832 2.954) 9.328 5.803 ( 1.381 2.816 -3.572) 4.754 5.837 ( 2.199 2.693 -1.918) 3.971 6.087 ( 5.463 -1.093 1.628) 5.804 6.160 ( -1.629 0.494 -1.886) 2.541 6.336 ( -1.265 2.014 5.283) 5.794 6.446 ( 1.681 1.648 0.304) 2.374 6.523 ( 0.830 -1.377 0.366) 1.649 6.697 ( 8.507 2.238 -6.494) 10.934 6.888 ( 1.643 -3.406 0.551) 3.822 7.594 ( -2.483 1.344 -5.961) 6.596 7.626 ( -1.344 -0.742 1.544) 2.177 7.820 ( -3.390 -4.216 0.454) 5.429 8.197 ( -5.363 1.793 7.699) 9.552 8.397 ( 10.450 -2.896 7.999) 13.475 8.716 ( 2.025 3.309 5.188) 6.478 9.534 ( -5.285 5.764 -3.324) 8.497 10.151 ( 1.064 2.191 3.718) 4.445 10.595 ( -3.262 -4.414 -4.784) 7.281 10.833 ( -0.420 -0.086 2.473) 2.510 ======================= Grid point 97 (70/96) ======================= q-point: ( 0.39 -0.19 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -6.905 0.000 -0.307) 6.912 1.354 ( -9.298 0.000 -9.873) 13.562 1.496 ( -2.813 0.000 -4.458) 5.271 1.814 ( -0.624 0.000 8.543) 8.566 1.868 ( -5.002 0.000 2.654) 5.663 2.402 ( -1.518 0.000 -3.386) 3.711 2.434 ( 4.905 -0.000 -5.493) 7.365 2.539 ( -0.600 0.000 2.649) 2.716 2.656 ( -5.303 0.000 -3.632) 6.427 3.161 ( -8.428 0.000 -0.526) 8.444 3.285 ( -8.346 0.000 0.380) 8.355 3.292 ( 12.338 -0.000 1.707) 12.456 3.611 ( -1.283 -0.000 -5.679) 5.822 3.712 ( -10.219 0.000 -2.599) 10.544 3.792 ( -9.131 0.000 -0.341) 9.138 4.029 ( 0.091 0.000 -0.511) 0.519 4.029 ( 5.128 -0.000 -0.762) 5.184 4.446 ( -5.270 0.000 1.068) 5.377 4.530 ( -0.308 0.000 4.362) 4.373 4.766 ( -6.729 0.000 4.465) 8.076 5.067 ( 0.954 -0.000 0.177) 0.971 5.209 ( 8.216 -0.000 -2.573) 8.609 5.519 ( 10.330 -0.000 1.618) 10.456 5.815 ( -4.315 0.000 -2.467) 4.970 5.870 ( 0.912 -0.000 -3.325) 3.448 6.060 ( -8.969 0.000 -0.422) 8.979 6.151 ( 2.287 -0.000 3.079) 3.836 6.321 ( 2.119 -0.000 2.822) 3.529 6.520 ( 4.776 -0.000 0.329) 4.787 6.581 ( 4.012 -0.000 -1.496) 4.281 6.917 ( 5.610 -0.000 -5.134) 7.605 6.957 ( 8.266 -0.000 -6.506) 10.519 7.269 ( -12.076 0.000 7.089) 14.003 7.668 ( -1.368 0.000 -3.077) 3.368 7.854 ( 3.836 -0.000 -6.148) 7.246 8.195 ( 3.266 -0.000 6.385) 7.172 8.540 ( 5.324 -0.000 4.216) 6.791 8.805 ( 3.194 -0.000 6.485) 7.229 9.529 ( -2.240 0.000 -1.311) 2.596 10.222 ( 4.806 -0.000 1.531) 5.044 10.454 ( -4.469 0.000 -0.926) 4.564 10.846 ( -0.118 -0.000 -0.466) 0.480 ======================= Grid point 101 (71/96) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.000 -0.000 -18.659) 18.659 0.799 ( -0.000 -0.000 -17.324) 17.324 1.303 ( -0.000 -0.000 -28.405) 28.405 1.478 ( -0.000 -0.000 -3.502) 3.502 1.705 ( -0.000 -0.000 -6.824) 6.824 2.055 ( 0.000 0.000 3.918) 3.918 2.425 ( -0.000 -0.000 -1.883) 1.883 2.602 ( -0.000 -0.000 -6.650) 6.650 2.727 ( 0.000 0.000 0.705) 0.705 2.844 ( -0.000 -0.000 -0.356) 0.356 2.936 ( -0.000 -0.000 -7.877) 7.877 3.027 ( -0.000 -0.000 -11.830) 11.830 3.353 ( -0.000 -0.000 -8.581) 8.581 3.450 ( -0.000 -0.000 -10.208) 10.208 3.681 ( -0.000 -0.000 -0.392) 0.392 3.965 ( -0.000 -0.000 -3.647) 3.647 4.303 ( -0.000 -0.000 -10.017) 10.017 4.393 ( 0.000 0.000 2.371) 2.371 4.836 ( -0.000 -0.000 -5.800) 5.800 4.840 ( 0.000 0.000 9.424) 9.424 5.147 ( 0.000 0.000 1.912) 1.912 5.172 ( -0.000 -0.000 -5.018) 5.018 5.369 ( -0.000 -0.000 -6.985) 6.985 5.449 ( 0.000 0.000 5.504) 5.504 5.837 ( -0.000 -0.000 -0.134) 0.134 6.023 ( 0.000 0.000 1.640) 1.640 6.167 ( 0.000 0.000 0.499) 0.499 6.244 ( -0.000 -0.000 -4.872) 4.872 6.312 ( 0.000 0.000 2.419) 2.419 6.709 ( 0.000 0.000 5.365) 5.365 6.903 ( 0.000 0.000 12.365) 12.365 7.120 ( 0.000 0.000 7.230) 7.230 7.371 ( -0.000 -0.000 -0.348) 0.348 8.081 ( 0.000 0.000 8.934) 8.934 8.093 ( 0.000 0.000 3.032) 3.032 8.334 ( 0.000 0.000 11.346) 11.346 8.673 ( 0.000 0.000 4.467) 4.467 8.750 ( -0.000 -0.000 -0.950) 0.950 9.366 ( -0.000 -0.000 -9.671) 9.671 10.238 ( 0.000 0.000 3.798) 3.798 10.663 ( -0.000 -0.000 -0.273) 0.273 11.008 ( 0.000 0.000 3.348) 3.348 ======================= Grid point 104 (72/96) ======================= q-point: (-0.20 -0.20 0.63) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 3.067 9.210 -0.570) 9.724 1.491 ( 3.719 -2.416 -2.799) 5.244 1.571 ( 4.158 0.727 -3.521) 5.497 1.636 ( 1.698 -1.974 -0.173) 2.610 1.980 ( -4.564 13.190 4.574) 14.687 2.196 ( -0.585 -11.522 0.370) 11.543 2.561 ( 3.055 7.608 3.486) 8.909 2.715 ( 3.156 -8.047 -2.128) 8.901 3.116 ( 0.785 1.969 -4.331) 4.822 3.149 ( 0.241 -0.203 -1.099) 1.143 3.346 ( 9.528 6.346 2.960) 11.825 3.482 ( 8.391 -0.483 3.934) 9.280 3.499 ( -5.703 14.181 0.315) 15.288 3.632 ( -5.138 1.231 -2.040) 5.664 4.010 ( -1.011 11.220 -4.878) 12.277 4.134 ( -2.451 -0.513 2.193) 3.328 4.304 ( 0.788 -2.253 -1.415) 2.774 4.353 ( -2.360 -4.700 -3.291) 6.204 4.452 ( -1.002 -3.304 -4.173) 5.416 4.545 ( -2.450 -14.356 4.284) 15.181 4.823 ( 2.790 12.683 -0.032) 12.986 5.108 ( -1.715 -10.788 3.819) 11.572 5.605 ( 5.967 1.442 -0.335) 6.148 5.708 ( -0.850 -0.131 0.606) 1.052 5.855 ( 4.166 3.614 1.109) 5.626 5.953 ( -2.368 -1.971 -1.587) 3.466 6.318 ( 1.114 4.366 1.375) 4.711 6.353 ( -0.269 -1.169 0.703) 1.391 6.370 ( -0.919 -1.484 1.016) 2.019 6.472 ( -1.801 -5.155 -0.490) 5.482 6.763 ( 14.427 -0.474 3.984) 14.975 7.029 ( -12.652 1.776 3.665) 13.291 7.403 ( 12.640 0.580 -2.687) 12.935 7.742 ( -13.665 -1.398 -1.319) 13.800 7.809 ( 6.147 4.157 1.099) 7.502 8.084 ( -10.126 -5.730 1.055) 11.682 8.746 ( 1.425 3.339 -3.329) 4.925 8.881 ( -4.251 -3.901 -4.834) 7.527 9.293 ( -0.759 10.239 1.582) 10.389 9.563 ( 1.429 -19.225 -1.703) 19.353 10.790 ( 3.810 5.144 0.691) 6.439 10.929 ( -5.478 -0.193 2.248) 5.924 ======================= Grid point 108 (73/96) ======================= q-point: ( 0.21 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.000 16.230 -0.000) 16.230 1.225 ( -0.000 19.340 -0.000) 19.340 1.378 ( -0.000 0.064 -0.000) 0.064 1.664 ( -0.000 3.619 -0.000) 3.619 1.996 ( 0.000 -3.853 0.000) 3.853 2.074 ( -0.000 27.066 -0.000) 27.066 2.191 ( 0.000 -9.868 0.000) 9.868 2.756 ( 0.000 -0.384 0.000) 0.384 2.932 ( -0.000 4.029 -0.000) 4.029 2.983 ( -0.000 8.041 -0.000) 8.041 3.254 ( -0.000 4.056 -0.000) 4.056 3.323 ( -0.000 4.494 -0.000) 4.494 3.575 ( -0.000 27.038 -0.000) 27.038 3.676 ( -0.000 1.608 -0.000) 1.608 3.714 ( -0.000 17.673 -0.000) 17.673 4.092 ( 0.000 -6.887 0.000) 6.887 4.468 ( -0.000 7.677 -0.000) 7.677 4.479 ( 0.000 -3.591 0.000) 3.591 4.537 ( -0.000 5.961 -0.000) 5.961 4.680 ( 0.000 -2.774 0.000) 2.774 4.864 ( 0.000 -22.219 0.000) 22.219 5.013 ( -0.000 1.606 -0.000) 1.606 5.240 ( -0.000 5.590 -0.000) 5.590 5.553 ( 0.000 -7.532 0.000) 7.532 5.921 ( -0.000 9.167 -0.000) 9.167 5.959 ( 0.000 -0.477 0.000) 0.477 6.016 ( 0.000 -6.922 0.000) 6.922 6.239 ( 0.000 -3.495 0.000) 3.495 6.451 ( 0.000 -8.937 0.000) 8.937 6.669 ( -0.000 0.168 -0.000) 0.168 6.879 ( 0.000 -5.034 0.000) 5.034 7.074 ( 0.000 -5.095 0.000) 5.095 7.360 ( -0.000 0.012 -0.000) 0.012 7.556 ( -0.000 2.968 -0.000) 2.968 8.295 ( 0.000 -8.101 0.000) 8.101 8.454 ( -0.000 1.596 -0.000) 1.596 8.521 ( 0.000 -8.937 0.000) 8.937 8.744 ( 0.000 -9.481 0.000) 9.481 9.482 ( -0.000 11.009 -0.000) 11.009 9.612 ( -0.000 0.083 -0.000) 0.083 10.699 ( -0.000 3.523 -0.000) 3.523 11.326 ( 0.000 -6.918 0.000) 6.918 ======================= Grid point 109 (74/96) ======================= q-point: ( 0.21 -0.21 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 6.342 11.902 -0.000) 13.487 1.404 ( 1.177 3.024 -0.000) 3.245 1.564 ( 1.924 10.659 -0.000) 10.832 1.709 ( -3.185 3.816 0.000) 4.970 1.982 ( 0.109 -11.133 0.000) 11.133 2.042 ( 10.717 -2.774 -0.000) 11.070 2.498 ( -1.317 18.199 -0.000) 18.247 2.818 ( 6.186 -0.554 -0.000) 6.210 2.972 ( 1.438 -1.183 -0.000) 1.862 3.106 ( -4.438 9.035 0.000) 10.067 3.230 ( -4.843 -2.914 0.000) 5.652 3.439 ( 3.417 3.960 -0.000) 5.230 3.745 ( 2.521 2.575 -0.000) 3.604 3.846 ( 1.363 -12.143 0.000) 12.219 4.034 ( -0.466 20.191 -0.000) 20.197 4.097 ( -1.120 13.886 -0.000) 13.931 4.361 ( -8.720 2.499 0.000) 9.071 4.398 ( -2.204 -19.261 0.000) 19.387 4.585 ( -1.467 -1.210 0.000) 1.902 4.602 ( 4.229 -1.060 -0.000) 4.360 4.654 ( -2.632 11.030 0.000) 11.340 4.975 ( 3.211 -15.246 0.000) 15.581 5.464 ( 4.522 10.978 -0.000) 11.873 5.590 ( 5.376 5.489 -0.000) 7.683 5.833 ( -1.019 -10.635 0.000) 10.683 6.009 ( 6.002 -0.956 -0.000) 6.078 6.072 ( -1.061 7.243 -0.000) 7.320 6.251 ( 6.673 -1.336 -0.000) 6.806 6.314 ( -0.423 -4.595 0.000) 4.615 6.641 ( -2.360 -1.189 0.000) 2.643 6.786 ( 0.133 -3.540 0.000) 3.543 6.939 ( -3.362 -3.810 0.000) 5.081 7.436 ( 6.812 1.005 -0.000) 6.886 7.598 ( -2.005 4.503 0.000) 4.929 8.198 ( 1.845 -7.430 -0.000) 7.656 8.301 ( -6.086 -5.658 0.000) 8.310 8.501 ( -3.397 -10.614 0.000) 11.144 8.519 ( 2.014 1.106 -0.000) 2.298 9.540 ( -6.914 0.680 0.000) 6.947 9.722 ( -2.463 16.067 -0.000) 16.255 10.740 ( 2.163 -0.685 -0.000) 2.269 11.128 ( -3.866 -9.386 0.000) 10.151 ======================= Grid point 110 (75/96) ======================= q-point: ( 0.21 -0.21 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -1.425 -1.977 0.000) 2.437 1.470 ( 0.513 5.868 -0.000) 5.890 1.590 ( 0.771 -5.209 0.000) 5.266 1.671 ( -6.661 2.078 0.000) 6.978 1.906 ( 0.245 1.700 -0.000) 1.717 2.253 ( 12.681 -1.186 -0.000) 12.737 2.675 ( -5.641 8.277 0.000) 10.016 2.875 ( 3.065 -8.882 -0.000) 9.396 2.952 ( -6.193 -13.176 0.000) 14.559 3.007 ( 10.863 -2.103 -0.000) 11.065 3.151 ( -9.080 8.848 0.000) 12.678 3.572 ( -4.444 -8.175 0.000) 9.305 3.593 ( 4.651 3.360 -0.000) 5.737 3.875 ( 1.846 -0.522 -0.000) 1.918 4.020 ( -12.704 -0.867 0.000) 12.734 4.072 ( 1.773 -11.118 0.000) 11.258 4.278 ( -2.790 9.497 0.000) 9.898 4.403 ( -6.683 8.391 0.000) 10.727 4.574 ( -0.764 -8.545 0.000) 8.579 4.591 ( -5.583 2.043 0.000) 5.945 4.813 ( 6.254 4.529 -0.000) 7.722 4.975 ( 11.183 11.575 -0.000) 16.095 5.563 ( -0.818 -14.306 0.000) 14.329 5.736 ( 3.686 8.045 -0.000) 8.849 5.787 ( 2.271 3.821 -0.000) 4.445 6.116 ( 6.576 -2.917 -0.000) 7.194 6.154 ( -1.133 4.160 0.000) 4.312 6.263 ( 0.511 -1.505 -0.000) 1.589 6.400 ( 4.588 1.979 -0.000) 4.997 6.551 ( -3.043 -1.037 0.000) 3.215 6.813 ( 8.764 -1.363 -0.000) 8.869 6.867 ( 2.668 -1.736 -0.000) 3.183 7.611 ( 3.254 0.457 -0.000) 3.286 7.676 ( 0.383 5.201 -0.000) 5.216 7.904 ( -9.479 -8.233 0.000) 12.555 8.083 ( -8.662 -1.412 0.000) 8.776 8.413 ( 9.273 -5.927 -0.000) 11.006 8.580 ( 0.415 3.177 -0.000) 3.204 9.447 ( -7.549 5.681 0.000) 9.448 9.960 ( -2.015 13.412 -0.000) 13.563 10.782 ( 4.048 -0.919 -0.000) 4.151 10.847 ( -4.919 -10.945 0.000) 12.000 ======================= Grid point 111 (76/96) ======================= q-point: ( 0.21 -0.21 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -7.048 -12.354 0.000) 14.223 1.467 ( -11.239 2.296 0.000) 11.471 1.553 ( -3.725 -0.367 0.000) 3.743 1.631 ( -0.613 3.940 -0.000) 3.988 1.875 ( -4.202 -2.389 0.000) 4.834 2.429 ( 6.191 0.722 -0.000) 6.233 2.581 ( -4.602 -12.242 0.000) 13.078 2.651 ( -2.422 -0.976 0.000) 2.611 2.708 ( 2.016 -10.407 0.000) 10.600 3.100 ( -10.186 5.535 0.000) 11.593 3.244 ( 10.626 2.864 -0.000) 11.005 3.301 ( -14.540 -2.379 0.000) 14.733 3.678 ( -0.486 -0.757 0.000) 0.900 3.758 ( -11.293 -1.326 0.000) 11.371 3.797 ( -7.545 -1.144 0.000) 7.631 4.067 ( 10.207 -2.641 -0.000) 10.543 4.171 ( -3.541 -11.914 0.000) 12.429 4.352 ( -3.924 5.948 0.000) 7.126 4.504 ( -3.032 -0.648 0.000) 3.100 4.574 ( -5.668 10.225 0.000) 11.691 5.148 ( 8.625 8.559 -0.000) 12.150 5.260 ( -0.368 -14.991 0.000) 14.995 5.412 ( 11.619 8.648 -0.000) 14.484 5.824 ( -4.521 1.779 0.000) 4.858 5.889 ( 2.246 2.527 -0.000) 3.381 6.078 ( -11.300 -0.482 0.000) 11.310 6.144 ( 2.838 -3.039 -0.000) 4.158 6.284 ( 4.741 -0.206 -0.000) 4.745 6.487 ( 5.051 2.686 -0.000) 5.721 6.593 ( 4.257 0.992 -0.000) 4.371 6.963 ( 6.979 0.211 -0.000) 6.982 7.068 ( 18.133 -0.403 -0.000) 18.137 7.219 ( -22.774 -5.842 0.000) 23.512 7.715 ( -2.405 -1.364 0.000) 2.765 7.986 ( -3.941 4.904 0.000) 6.292 8.007 ( 12.963 1.038 -0.000) 13.005 8.521 ( 7.474 -1.567 -0.000) 7.637 8.671 ( 1.601 4.617 -0.000) 4.886 9.464 ( -3.930 7.251 0.000) 8.248 10.149 ( 2.195 7.225 -0.000) 7.551 10.559 ( -4.305 -9.083 0.000) 10.051 10.846 ( 2.685 -0.322 -0.000) 2.704 ======================= Grid point 112 (77/96) ======================= q-point: ( 0.21 -0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -12.457 0.000 0.000) 12.457 1.183 ( -17.349 0.000 0.000) 17.349 1.500 ( -2.660 0.000 0.000) 2.660 1.620 ( -9.245 0.000 0.000) 9.245 1.705 ( -5.475 0.000 0.000) 5.475 2.392 ( -2.244 0.000 0.000) 2.244 2.568 ( 4.978 -0.000 -0.000) 4.978 2.577 ( -2.163 0.000 0.000) 2.163 2.630 ( 2.197 -0.000 -0.000) 2.197 2.901 ( -17.143 0.000 0.000) 17.143 3.003 ( -10.895 0.000 0.000) 10.895 3.469 ( 7.739 -0.000 -0.000) 7.739 3.470 ( -16.381 0.000 0.000) 16.381 3.566 ( -6.776 0.000 0.000) 6.776 3.630 ( -7.811 0.000 0.000) 7.811 4.005 ( -2.076 0.000 0.000) 2.076 4.259 ( 8.935 -0.000 -0.000) 8.935 4.324 ( -4.887 0.000 0.000) 4.887 4.535 ( 7.354 -0.000 -0.000) 7.354 4.567 ( -6.542 0.000 0.000) 6.542 5.099 ( 2.059 -0.000 -0.000) 2.059 5.388 ( 6.636 -0.000 -0.000) 6.636 5.547 ( -10.743 0.000 0.000) 10.743 5.694 ( -9.487 0.000 0.000) 9.487 5.939 ( 1.559 -0.000 -0.000) 1.559 5.946 ( 3.852 -0.000 -0.000) 3.852 6.141 ( 0.680 -0.000 -0.000) 0.680 6.445 ( 10.853 -0.000 -0.000) 10.853 6.652 ( -10.941 0.000 0.000) 10.941 6.671 ( 9.013 -0.000 -0.000) 9.013 6.728 ( -8.595 0.000 0.000) 8.595 7.133 ( 8.933 -0.000 -0.000) 8.933 7.458 ( 20.710 -0.000 -0.000) 20.710 7.604 ( -5.522 0.000 0.000) 5.522 7.983 ( -3.865 0.000 0.000) 3.865 8.253 ( 10.654 -0.000 -0.000) 10.654 8.601 ( 1.889 -0.000 -0.000) 1.889 8.795 ( 5.799 -0.000 -0.000) 5.799 9.512 ( 0.097 -0.000 -0.000) 0.097 10.328 ( 7.216 -0.000 -0.000) 7.216 10.392 ( -2.948 0.000 0.000) 2.948 10.845 ( -1.076 0.000 0.000) 1.076 ======================= Grid point 115 (78/96) ======================= q-point: (-0.37 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -0.000 0.166 -14.734) 14.735 1.152 ( -0.000 -7.233 -12.642) 14.565 1.520 ( -0.000 2.709 -2.886) 3.959 1.676 ( -0.000 3.556 -9.941) 10.558 1.911 ( -0.000 -2.272 -9.916) 10.173 1.968 ( 0.000 1.096 3.778) 3.934 2.574 ( 0.000 -9.876 -1.987) 10.074 2.717 ( 0.000 -0.228 0.355) 0.422 2.733 ( -0.000 1.846 -9.766) 9.939 2.972 ( 0.000 -10.688 -0.352) 10.694 3.153 ( -0.000 -3.660 -12.697) 13.214 3.244 ( -0.000 0.776 -10.425) 10.454 3.441 ( -0.000 6.459 -5.251) 8.324 3.701 ( -0.000 -1.575 -13.482) 13.574 3.749 ( 0.000 -5.282 -0.983) 5.372 4.134 ( 0.000 -9.307 -4.299) 10.252 4.403 ( 0.000 -6.446 3.545) 7.356 4.463 ( -0.000 3.943 -8.335) 9.221 4.644 ( 0.000 0.095 8.769) 8.769 4.753 ( -0.000 9.401 0.282) 9.405 5.001 ( 0.000 7.166 7.650) 10.482 5.203 ( -0.000 6.811 5.999) 9.076 5.438 ( 0.000 -8.883 -2.179) 9.146 5.515 ( -0.000 1.739 -9.251) 9.413 5.804 ( -0.000 4.481 0.222) 4.487 5.971 ( 0.000 1.260 1.395) 1.880 6.198 ( -0.000 1.807 -5.370) 5.666 6.238 ( 0.000 1.056 3.995) 4.132 6.339 ( -0.000 0.579 -3.798) 3.842 6.559 ( 0.000 4.132 5.227) 6.663 6.701 ( 0.000 -2.167 7.784) 8.080 7.036 ( 0.000 -4.055 4.918) 6.374 7.380 ( 0.000 -0.328 -0.038) 0.330 7.789 ( -0.000 11.867 3.341) 12.329 7.956 ( 0.000 -0.397 3.374) 3.398 8.348 ( 0.000 -12.574 10.932) 16.662 8.559 ( 0.000 -0.983 8.214) 8.273 8.708 ( 0.000 1.287 3.633) 3.855 9.536 ( -0.000 1.680 -8.464) 8.629 10.231 ( 0.000 -3.959 5.202) 6.537 10.553 ( -0.000 9.117 -5.699) 10.752 10.979 ( 0.000 -4.079 5.635) 6.956 ======================= Grid point 116 (79/96) ======================= q-point: (-0.37 -0.23 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.161 -0.000 -9.892) 9.893 1.138 ( 3.126 -0.000 -16.076) 16.377 1.521 ( -2.394 0.000 -3.932) 4.604 1.779 ( 3.578 -0.000 -11.656) 12.192 1.868 ( 1.090 -0.000 -7.396) 7.476 2.081 ( 9.083 -0.000 2.704) 9.477 2.442 ( -1.340 0.000 -1.119) 1.745 2.729 ( -3.795 0.000 -9.806) 10.515 2.772 ( -6.627 0.000 0.713) 6.665 2.817 ( 9.868 -0.000 0.805) 9.901 3.088 ( -3.093 -0.000 -12.874) 13.240 3.282 ( 2.509 -0.000 -11.790) 12.054 3.514 ( -0.965 -0.000 -5.564) 5.647 3.689 ( -0.281 -0.000 -12.215) 12.218 3.730 ( 3.406 -0.000 -1.337) 3.659 4.027 ( -1.039 -0.000 -3.647) 3.792 4.381 ( 2.299 -0.000 2.574) 3.451 4.504 ( 0.079 -0.000 -8.239) 8.240 4.596 ( -3.794 0.000 10.074) 10.765 4.876 ( 1.324 -0.000 -0.912) 1.608 5.098 ( -0.733 0.000 2.091) 2.215 5.132 ( -3.098 0.000 4.941) 5.832 5.338 ( -2.186 0.000 2.503) 3.324 5.631 ( 6.780 -0.000 -7.905) 10.414 5.840 ( -0.416 0.000 -0.095) 0.426 6.019 ( 3.507 -0.000 1.523) 3.823 6.176 ( -1.884 0.000 -2.116) 2.833 6.351 ( 7.160 -0.000 1.895) 7.406 6.395 ( 5.170 -0.000 -4.747) 7.019 6.599 ( -6.547 0.000 8.230) 10.517 6.607 ( -0.354 0.000 3.115) 3.135 6.946 ( -4.305 0.000 5.295) 6.824 7.426 ( 4.855 -0.000 -1.028) 4.963 7.829 ( -5.597 0.000 3.179) 6.437 7.939 ( -8.520 0.000 4.348) 9.565 8.305 ( 11.999 -0.000 11.473) 16.601 8.508 ( -3.035 0.000 9.858) 10.314 8.762 ( 2.679 -0.000 1.626) 3.134 9.541 ( -1.273 -0.000 -7.908) 8.010 10.171 ( 1.038 0.000 3.883) 4.019 10.629 ( -3.948 0.000 -0.624) 3.997 10.909 ( -2.302 0.000 2.836) 3.652 ======================= Grid point 129 (80/96) ======================= q-point: (-0.54 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -0.000 4.787 -8.555) 9.803 1.460 ( -0.000 5.668 0.905) 5.740 1.522 ( 0.000 -9.209 -8.397) 12.463 1.711 ( -0.000 8.664 -7.352) 11.362 1.903 ( 0.000 -0.680 1.548) 1.691 1.986 ( 0.000 1.065 1.992) 2.259 2.724 ( 0.000 -0.837 0.007) 0.838 2.730 ( -0.000 6.160 -6.386) 8.873 2.865 ( -0.000 -2.018 -3.713) 4.226 3.196 ( 0.000 -12.987 2.135) 13.161 3.332 ( -0.000 9.193 -1.747) 9.357 3.389 ( -0.000 2.765 -6.359) 6.934 3.521 ( -0.000 -8.795 -10.103) 13.395 3.796 ( 0.000 -1.297 4.601) 4.780 4.017 ( 0.000 -10.289 -9.185) 13.792 4.386 ( -0.000 12.409 0.618) 12.425 4.388 ( 0.000 -7.916 -1.929) 8.148 4.453 ( 0.000 -7.461 3.063) 8.065 4.503 ( -0.000 13.727 4.830) 14.552 4.661 ( 0.000 -11.797 -0.053) 11.797 4.661 ( -0.000 10.117 6.037) 11.781 4.960 ( -0.000 11.999 -0.475) 12.008 5.606 ( -0.000 6.230 -6.199) 8.789 5.636 ( 0.000 -13.208 2.898) 13.522 5.646 ( -0.000 10.310 0.746) 10.337 5.948 ( 0.000 -0.173 0.235) 0.292 6.154 ( 0.000 -0.866 3.118) 3.236 6.211 ( -0.000 5.952 -2.380) 6.410 6.316 ( 0.000 0.544 3.656) 3.696 6.525 ( -0.000 1.105 -8.051) 8.126 6.696 ( 0.000 -4.486 0.514) 4.516 7.032 ( 0.000 -3.855 5.736) 6.911 7.374 ( 0.000 -0.019 0.885) 0.885 7.635 ( -0.000 4.046 -2.514) 4.764 7.994 ( -0.000 -3.476 -3.260) 4.766 8.345 ( 0.000 -2.343 3.476) 4.192 8.455 ( 0.000 -10.900 11.892) 16.132 8.588 ( 0.000 1.491 5.408) 5.610 9.608 ( -0.000 2.737 -3.977) 4.828 10.053 ( -0.000 11.902 3.309) 12.354 10.636 ( -0.000 -2.212 -5.346) 5.786 11.002 ( 0.000 -8.535 2.964) 9.035 ======================= Grid point 130 (81/96) ======================= q-point: (-0.54 -0.26 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -1.635 -7.616 -6.303) 10.020 1.394 ( 3.906 -0.667 -8.569) 9.441 1.559 ( -0.253 2.912 -1.737) 3.400 1.836 ( -1.992 6.205 -5.602) 8.593 1.998 ( -0.184 1.481 -1.981) 2.480 2.023 ( 7.461 1.711 1.534) 7.807 2.592 ( -0.980 -12.211 -1.268) 12.315 2.802 ( 7.946 0.116 -0.169) 7.948 2.836 ( -5.905 -2.847 -4.085) 7.724 2.913 ( -6.251 -3.945 -2.079) 7.679 3.383 ( -3.067 -1.937 -12.775) 13.280 3.448 ( 0.628 3.550 -6.962) 7.840 3.502 ( -0.511 5.596 -3.163) 6.448 3.786 ( 3.333 -2.981 -0.613) 4.513 3.893 ( -1.519 -2.405 -5.209) 5.934 4.176 ( -3.453 -7.222 -1.225) 8.099 4.389 ( 0.857 -5.410 1.146) 5.596 4.450 ( -2.203 -3.031 5.615) 6.751 4.578 ( -0.610 4.773 -3.333) 5.853 4.754 ( 1.300 10.949 1.455) 11.122 4.849 ( 2.273 8.254 6.067) 10.493 5.128 ( -0.279 5.965 1.164) 6.084 5.356 ( -2.949 -11.623 3.293) 12.435 5.746 ( 4.031 2.572 -6.063) 7.721 5.808 ( 0.716 4.952 -0.681) 5.050 5.987 ( 3.983 -0.089 1.107) 4.135 6.164 ( 0.824 0.448 1.691) 1.934 6.315 ( 2.591 0.627 3.518) 4.414 6.384 ( 2.535 4.637 0.117) 5.286 6.555 ( -0.252 -0.853 -2.767) 2.907 6.609 ( -0.016 -0.867 -2.634) 2.773 6.921 ( -3.795 -2.521 2.230) 5.073 7.455 ( 7.362 0.087 -1.772) 7.572 7.698 ( -1.804 4.635 0.091) 4.974 7.947 ( -4.313 -4.828 0.886) 6.534 8.193 ( 7.751 -8.872 9.434) 15.093 8.331 ( -7.321 1.632 6.744) 10.086 8.668 ( 3.343 2.425 4.739) 6.286 9.631 ( -4.081 4.306 -4.969) 7.739 10.138 ( 0.355 -0.855 4.144) 4.246 10.643 ( -1.633 0.717 -5.686) 5.959 10.856 ( -1.570 -2.495 4.832) 5.660 ======================= Grid point 131 (82/96) ======================= q-point: (-0.54 -0.26 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -3.686 0.000 -2.768) 4.609 1.453 ( -0.418 -0.000 -12.879) 12.886 1.549 ( -2.507 0.000 -3.842) 4.588 1.837 ( -2.963 0.000 4.078) 5.041 1.954 ( -3.595 0.000 -2.173) 4.201 2.268 ( 11.731 -0.000 0.133) 11.732 2.430 ( -1.222 0.000 -1.600) 2.013 2.609 ( -6.450 0.000 1.926) 6.732 2.779 ( -7.263 0.000 -6.128) 9.503 3.035 ( 13.420 -0.000 1.020) 13.459 3.295 ( -4.792 0.000 -11.126) 12.114 3.422 ( -7.030 0.000 -1.048) 7.108 3.587 ( 3.640 -0.000 -7.176) 8.047 3.813 ( 0.176 -0.000 -1.754) 1.763 3.836 ( -0.677 -0.000 -5.924) 5.963 4.053 ( -2.064 0.000 -1.982) 2.862 4.151 ( -12.386 0.000 7.798) 14.637 4.515 ( 3.171 -0.000 3.834) 4.975 4.550 ( -5.047 0.000 -1.565) 5.284 4.892 ( -5.372 0.000 0.992) 5.462 5.047 ( 7.630 -0.000 0.978) 7.692 5.058 ( 0.009 0.000 0.886) 0.886 5.319 ( 7.687 -0.000 3.388) 8.400 5.833 ( 1.990 -0.000 -3.953) 4.425 5.857 ( 0.390 -0.000 -2.292) 2.325 6.077 ( 5.007 -0.000 2.466) 5.581 6.165 ( -1.847 0.000 -1.978) 2.707 6.357 ( -1.622 0.000 6.260) 6.467 6.464 ( -0.924 0.000 -0.194) 0.944 6.508 ( 3.686 -0.000 0.532) 3.724 6.722 ( 9.961 -0.000 -4.711) 11.018 6.853 ( 0.430 -0.000 -2.185) 2.227 7.606 ( -16.664 0.000 4.498) 17.261 7.614 ( 7.220 -0.000 -5.857) 9.297 7.779 ( 1.930 -0.000 -0.719) 2.059 8.215 ( -4.714 0.000 7.253) 8.650 8.371 ( 11.903 -0.000 8.609) 14.690 8.754 ( 2.330 -0.000 4.624) 5.178 9.597 ( -4.443 0.000 -3.876) 5.896 10.148 ( 2.890 -0.000 2.161) 3.608 10.550 ( -5.177 0.000 -0.686) 5.222 10.848 ( -0.166 0.000 0.848) 0.864 ======================= Grid point 143 (83/96) ======================= q-point: ( 0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -0.000 14.627 -0.000) 14.627 1.389 ( -0.000 1.066 -0.000) 1.066 1.544 ( -0.000 13.571 -0.000) 13.571 1.744 ( -0.000 4.827 -0.000) 4.827 1.931 ( 0.000 -2.924 0.000) 2.924 1.983 ( 0.000 -11.200 0.000) 11.200 2.513 ( -0.000 19.816 -0.000) 19.816 2.743 ( 0.000 -0.967 0.000) 0.967 2.973 ( 0.000 -0.460 0.000) 0.460 3.152 ( -0.000 9.839 -0.000) 9.839 3.285 ( 0.000 -1.465 0.000) 1.465 3.404 ( -0.000 4.003 -0.000) 4.003 3.710 ( -0.000 1.696 -0.000) 1.696 3.833 ( 0.000 -11.908 0.000) 11.908 4.042 ( -0.000 21.995 -0.000) 21.995 4.099 ( -0.000 16.437 -0.000) 16.437 4.433 ( 0.000 -21.171 0.000) 21.171 4.492 ( -0.000 3.973 -0.000) 3.973 4.506 ( 0.000 -2.787 0.000) 2.787 4.577 ( 0.000 -7.278 0.000) 7.278 4.724 ( -0.000 12.333 -0.000) 12.333 4.924 ( 0.000 -11.673 0.000) 11.673 5.414 ( -0.000 11.910 -0.000) 11.910 5.533 ( -0.000 5.442 -0.000) 5.442 5.845 ( 0.000 -11.439 0.000) 11.439 5.953 ( 0.000 -0.309 0.000) 0.309 6.087 ( -0.000 8.391 -0.000) 8.391 6.174 ( 0.000 -3.331 0.000) 3.331 6.319 ( 0.000 -4.735 0.000) 4.735 6.662 ( 0.000 -1.050 0.000) 1.050 6.789 ( 0.000 -4.606 0.000) 4.606 6.991 ( 0.000 -3.511 0.000) 3.511 7.362 ( -0.000 0.110 -0.000) 0.110 7.618 ( -0.000 3.435 -0.000) 3.435 8.151 ( 0.000 -6.984 0.000) 6.984 8.373 ( 0.000 -5.752 0.000) 5.752 8.487 ( -0.000 1.922 -0.000) 1.922 8.552 ( 0.000 -11.355 0.000) 11.355 9.614 ( -0.000 0.581 -0.000) 0.581 9.748 ( -0.000 15.865 -0.000) 15.865 10.719 ( 0.000 -0.940 0.000) 0.940 11.168 ( 0.000 -9.835 0.000) 9.835 ======================= Grid point 144 (84/96) ======================= q-point: ( 0.29 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 2.456 9.225 -0.000) 9.546 1.447 ( 2.470 1.829 -0.000) 3.073 1.587 ( -0.333 -9.951 0.000) 9.956 1.791 ( -5.100 5.015 0.000) 7.153 1.912 ( -0.617 5.447 -0.000) 5.482 2.003 ( 11.045 -1.329 -0.000) 11.125 2.766 ( -3.152 7.902 0.000) 8.508 2.808 ( 7.440 -0.066 -0.000) 7.441 2.878 ( -1.448 -6.868 0.000) 7.019 3.083 ( -6.813 -11.300 0.000) 13.195 3.299 ( -5.396 9.946 0.000) 11.315 3.509 ( 3.712 3.288 -0.000) 4.959 3.624 ( -1.429 -7.070 0.000) 7.213 3.793 ( 5.279 0.052 -0.000) 5.279 4.078 ( -1.844 -12.086 0.000) 12.226 4.245 ( -10.377 -0.400 0.000) 10.385 4.336 ( -2.993 10.444 0.000) 10.864 4.486 ( -0.713 11.782 -0.000) 11.803 4.547 ( 8.744 -1.965 -0.000) 8.962 4.600 ( -1.868 -3.656 0.000) 4.105 4.697 ( 5.083 -6.338 -0.000) 8.125 4.918 ( -4.052 14.088 0.000) 14.659 5.580 ( -1.032 -13.390 0.000) 13.430 5.669 ( 2.928 9.946 -0.000) 10.368 5.724 ( 3.760 5.320 -0.000) 6.515 5.991 ( 4.849 -0.973 -0.000) 4.946 6.146 ( 1.566 0.557 -0.000) 1.662 6.266 ( -0.368 -0.953 0.000) 1.022 6.284 ( 5.300 5.009 -0.000) 7.293 6.613 ( -2.152 -1.837 0.000) 2.829 6.721 ( 1.968 -3.418 -0.000) 3.944 6.892 ( -4.048 -1.108 0.000) 4.197 7.456 ( 8.210 1.120 -0.000) 8.286 7.672 ( 0.046 2.975 -0.000) 2.976 8.067 ( -1.345 -6.730 0.000) 6.863 8.241 ( -7.191 -0.624 0.000) 7.218 8.286 ( 0.823 -11.857 0.000) 11.885 8.557 ( 2.082 2.700 -0.000) 3.410 9.587 ( -5.992 4.259 0.000) 7.352 9.996 ( -1.485 11.098 -0.000) 11.197 10.721 ( 2.148 0.042 -0.000) 2.148 10.931 ( -3.429 -11.167 0.000) 11.682 ======================= Grid point 145 (85/96) ======================= q-point: ( 0.29 -0.29 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -4.045 -10.947 0.000) 11.670 1.558 ( -1.230 3.316 0.000) 3.537 1.592 ( 4.245 2.453 -0.000) 4.902 1.720 ( -10.446 2.997 0.000) 10.867 1.958 ( -4.248 2.098 0.000) 4.738 2.245 ( 12.724 0.470 -0.000) 12.733 2.611 ( 1.913 -13.733 0.000) 13.866 2.700 ( -7.593 -11.457 0.000) 13.745 2.805 ( -7.689 4.023 0.000) 8.677 3.015 ( 12.105 0.985 -0.000) 12.145 3.305 ( -10.439 6.844 0.000) 12.483 3.486 ( -5.423 -1.859 0.000) 5.733 3.647 ( 3.827 2.183 -0.000) 4.406 3.852 ( 1.338 -1.767 -0.000) 2.217 3.935 ( 2.710 -4.009 -0.000) 4.839 4.001 ( -12.055 0.108 0.000) 12.055 4.260 ( -5.690 -13.534 0.000) 14.682 4.417 ( -2.235 5.200 0.000) 5.660 4.581 ( -3.073 -1.567 0.000) 3.449 4.678 ( -4.643 13.075 0.000) 13.875 4.966 ( 9.913 7.597 -0.000) 12.489 5.187 ( 8.900 9.069 -0.000) 12.707 5.279 ( -1.357 -15.432 0.000) 15.492 5.849 ( 1.210 2.583 -0.000) 2.853 5.850 ( 1.895 4.020 -0.000) 4.445 6.067 ( 5.030 -2.103 -0.000) 5.452 6.211 ( -0.183 1.950 -0.000) 1.959 6.249 ( -0.372 -0.225 0.000) 0.434 6.440 ( 1.073 1.979 -0.000) 2.251 6.523 ( 0.465 -1.586 -0.000) 1.653 6.786 ( 10.221 -1.294 -0.000) 10.302 6.868 ( 1.902 1.210 -0.000) 2.254 7.593 ( -10.216 -2.473 0.000) 10.511 7.728 ( 0.742 0.951 -0.000) 1.206 7.782 ( 5.447 -4.005 -0.000) 6.761 8.097 ( -7.518 1.780 0.000) 7.726 8.325 ( 11.959 -3.197 -0.000) 12.379 8.654 ( 0.967 3.999 -0.000) 4.115 9.569 ( -6.329 6.311 0.000) 8.938 10.113 ( 1.398 2.940 -0.000) 3.255 10.651 ( -4.892 -8.958 0.000) 10.207 10.801 ( 1.970 2.785 -0.000) 3.411 ======================= Grid point 146 (86/96) ======================= q-point: ( 0.29 -0.29 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -8.479 0.000 0.000) 8.479 1.493 ( -14.760 0.000 0.000) 14.760 1.550 ( -2.387 0.000 0.000) 2.387 1.690 ( 0.907 -0.000 -0.000) 0.907 1.833 ( -7.424 0.000 0.000) 7.424 2.459 ( -4.880 0.000 0.000) 4.880 2.487 ( 8.785 -0.000 -0.000) 8.785 2.490 ( 3.019 -0.000 -0.000) 3.019 2.699 ( -6.323 0.000 0.000) 6.323 3.155 ( -11.279 0.000 0.000) 11.279 3.275 ( 12.035 -0.000 -0.000) 12.035 3.288 ( -14.191 0.000 0.000) 14.191 3.668 ( -3.245 0.000 0.000) 3.245 3.738 ( -10.288 0.000 0.000) 10.288 3.798 ( -10.604 0.000 0.000) 10.604 4.035 ( -1.244 0.000 0.000) 1.244 4.045 ( 11.229 -0.000 -0.000) 11.229 4.433 ( -6.387 0.000 0.000) 6.387 4.470 ( 0.275 -0.000 -0.000) 0.275 4.724 ( -8.924 0.000 0.000) 8.924 5.065 ( 1.295 -0.000 -0.000) 1.295 5.236 ( 9.012 -0.000 -0.000) 9.012 5.501 ( 11.573 -0.000 -0.000) 11.573 5.843 ( -5.015 0.000 0.000) 5.015 5.911 ( 1.327 -0.000 -0.000) 1.327 6.070 ( -12.582 0.000 0.000) 12.582 6.113 ( 2.381 -0.000 -0.000) 2.381 6.283 ( 5.247 -0.000 -0.000) 5.247 6.517 ( 6.626 -0.000 -0.000) 6.626 6.599 ( 4.885 -0.000 -0.000) 4.885 6.973 ( 7.002 -0.000 -0.000) 7.002 7.064 ( 18.757 -0.000 -0.000) 18.757 7.156 ( -23.150 0.000 0.000) 23.150 7.699 ( -3.842 0.000 0.000) 3.842 8.017 ( 13.389 -0.000 -0.000) 13.389 8.034 ( -2.379 0.000 0.000) 2.379 8.507 ( 8.120 -0.000 -0.000) 8.120 8.723 ( 1.909 -0.000 -0.000) 1.909 9.544 ( -3.506 0.000 0.000) 3.506 10.207 ( 5.227 -0.000 -0.000) 5.227 10.463 ( -4.406 0.000 0.000) 4.406 10.851 ( 0.345 -0.000 -0.000) 0.345 ======================= Grid point 150 (87/96) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -0.000 -0.000 -10.809) 10.809 1.099 ( -0.000 -0.000 -15.718) 15.718 1.547 ( -0.000 -0.000 -3.425) 3.425 1.747 ( -0.000 -0.000 -17.753) 17.753 1.857 ( -0.000 -0.000 -8.880) 8.880 1.979 ( 0.000 0.000 3.963) 3.963 2.457 ( -0.000 -0.000 -1.155) 1.155 2.715 ( 0.000 0.000 0.519) 0.519 2.771 ( -0.000 -0.000 -11.014) 11.014 2.847 ( 0.000 0.000 0.007) 0.007 3.134 ( -0.000 -0.000 -12.909) 12.909 3.253 ( -0.000 -0.000 -11.318) 11.318 3.516 ( -0.000 -0.000 -7.903) 7.903 3.686 ( -0.000 -0.000 -0.146) 0.146 3.693 ( -0.000 -0.000 -13.646) 13.646 4.038 ( -0.000 -0.000 -3.751) 3.751 4.339 ( 0.000 0.000 3.106) 3.106 4.501 ( -0.000 -0.000 -10.021) 10.021 4.647 ( 0.000 0.000 10.195) 10.195 4.856 ( 0.000 0.000 2.343) 2.343 5.106 ( 0.000 0.000 2.259) 2.259 5.177 ( 0.000 0.000 6.251) 6.251 5.395 ( 0.000 0.000 1.020) 1.020 5.531 ( -0.000 -0.000 -9.708) 9.708 5.842 ( -0.000 -0.000 -0.377) 0.377 5.988 ( 0.000 0.000 1.945) 1.945 6.215 ( -0.000 -0.000 -5.820) 5.820 6.249 ( 0.000 0.000 4.235) 4.235 6.345 ( -0.000 -0.000 -5.035) 5.035 6.612 ( 0.000 0.000 3.993) 3.993 6.670 ( 0.000 0.000 10.816) 10.816 6.995 ( 0.000 0.000 5.069) 5.069 7.376 ( -0.000 -0.000 -0.109) 0.109 7.953 ( 0.000 0.000 4.024) 4.024 8.022 ( 0.000 0.000 4.199) 4.199 8.090 ( 0.000 0.000 13.768) 13.768 8.570 ( 0.000 0.000 6.074) 6.074 8.721 ( 0.000 0.000 3.816) 3.816 9.555 ( -0.000 -0.000 -9.701) 9.701 10.161 ( 0.000 0.000 4.022) 4.022 10.670 ( -0.000 -0.000 -0.405) 0.405 10.935 ( 0.000 0.000 4.164) 4.164 ======================= Grid point 164 (88/96) ======================= q-point: (-0.47 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.000 -10.079 -5.186) 11.336 1.338 ( -0.000 1.616 -10.078) 10.207 1.561 ( -0.000 4.148 -1.148) 4.304 1.860 ( -0.000 7.951 -8.971) 11.987 1.902 ( 0.000 0.310 2.980) 2.996 2.040 ( -0.000 2.202 -3.229) 3.908 2.607 ( 0.000 -12.460 -1.312) 12.528 2.711 ( 0.000 -0.431 0.202) 0.475 2.908 ( -0.000 -0.464 -6.372) 6.389 2.984 ( 0.000 -5.009 -1.981) 5.387 3.416 ( -0.000 -2.480 -13.168) 13.399 3.421 ( -0.000 1.805 -7.670) 7.880 3.518 ( -0.000 8.850 -2.733) 9.262 3.746 ( 0.000 -3.646 1.368) 3.894 3.917 ( -0.000 -1.779 -7.689) 7.892 4.206 ( 0.000 -9.701 -2.894) 10.124 4.334 ( 0.000 -5.094 3.169) 5.999 4.512 ( 0.000 -4.155 4.676) 6.256 4.580 ( -0.000 7.869 -3.797) 8.737 4.717 ( -0.000 8.191 3.081) 8.751 4.846 ( -0.000 10.216 6.861) 12.306 5.140 ( -0.000 4.952 0.244) 4.958 5.397 ( 0.000 -10.785 5.417) 12.069 5.694 ( -0.000 3.100 -8.749) 9.282 5.801 ( -0.000 5.592 0.110) 5.593 5.948 ( 0.000 0.211 0.910) 0.934 6.149 ( 0.000 0.127 5.032) 5.034 6.284 ( -0.000 1.863 -1.109) 2.168 6.362 ( -0.000 3.611 1.173) 3.797 6.546 ( -0.000 1.148 -4.576) 4.718 6.624 ( 0.000 -3.163 0.650) 3.229 6.973 ( 0.000 -2.161 1.643) 2.715 7.373 ( 0.000 -0.090 0.631) 0.637 7.722 ( -0.000 5.771 2.939) 6.476 7.945 ( 0.000 -1.736 -1.566) 2.338 8.145 ( 0.000 -14.168 9.236) 16.913 8.426 ( 0.000 2.742 5.384) 6.042 8.614 ( 0.000 1.121 5.269) 5.387 9.673 ( -0.000 3.688 -5.547) 6.661 10.135 ( 0.000 -1.959 4.289) 4.715 10.659 ( -0.000 2.953 -5.601) 6.331 10.875 ( 0.000 -3.743 5.454) 6.614 ======================= Grid point 165 (89/96) ======================= q-point: (-0.47 -0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -1.503 0.000 -4.142) 4.406 1.401 ( 4.037 -0.000 -10.816) 11.545 1.587 ( -1.396 0.000 -2.650) 2.995 1.918 ( -3.740 0.000 -3.701) 5.262 2.005 ( -1.766 -0.000 -6.260) 6.505 2.037 ( 9.736 -0.000 1.966) 9.933 2.450 ( -0.963 0.000 0.232) 0.991 2.758 ( -7.658 0.000 0.624) 7.684 2.805 ( 9.356 -0.000 0.428) 9.365 2.919 ( -6.415 0.000 -8.766) 10.863 3.364 ( -2.891 -0.000 -14.362) 14.650 3.479 ( 2.963 -0.000 -8.230) 8.748 3.581 ( -4.677 0.000 -1.419) 4.887 3.748 ( 4.879 -0.000 -0.549) 4.910 3.877 ( -2.576 0.000 -6.107) 6.628 4.089 ( -1.172 0.000 -2.496) 2.757 4.334 ( -1.287 0.000 2.337) 2.668 4.426 ( 0.321 0.000 6.956) 6.963 4.630 ( -2.978 0.000 -4.589) 5.470 4.863 ( 6.365 -0.000 1.555) 6.552 5.017 ( -2.688 0.000 4.488) 5.232 5.062 ( -0.318 0.000 1.479) 1.512 5.274 ( -2.211 0.000 5.025) 5.490 5.770 ( 3.810 -0.000 -6.762) 7.761 5.853 ( 0.132 -0.000 -1.088) 1.096 5.987 ( 3.533 -0.000 1.698) 3.920 6.168 ( 1.026 -0.000 2.245) 2.468 6.322 ( 2.394 -0.000 3.695) 4.403 6.437 ( 3.214 -0.000 0.120) 3.216 6.534 ( -3.307 0.000 -1.693) 3.715 6.607 ( 2.693 -0.000 -2.441) 3.635 6.897 ( -4.126 0.000 -0.424) 4.148 7.456 ( 7.528 -0.000 -2.376) 7.894 7.779 ( -1.758 0.000 3.341) 3.775 7.858 ( -8.925 0.000 3.666) 9.648 8.109 ( 13.371 -0.000 7.111) 15.144 8.350 ( -7.847 0.000 6.560) 10.228 8.694 ( 4.143 -0.000 4.367) 6.020 9.679 ( -3.496 0.000 -5.824) 6.793 10.108 ( 1.302 -0.000 2.498) 2.817 10.640 ( -3.637 0.000 -0.415) 3.661 10.854 ( -0.449 0.000 2.515) 2.554 ======================= Grid point 178 (90/96) ======================= q-point: ( 0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -0.000 11.122 -0.000) 11.122 1.416 ( -0.000 1.749 -0.000) 1.749 1.591 ( 0.000 -10.190 0.000) 10.190 1.845 ( -0.000 6.044 -0.000) 6.044 1.888 ( 0.000 -1.614 0.000) 1.614 1.919 ( -0.000 6.525 -0.000) 6.525 2.723 ( 0.000 -1.000 0.000) 1.000 2.802 ( -0.000 6.489 -0.000) 6.489 2.903 ( 0.000 -2.806 0.000) 2.806 3.166 ( 0.000 -10.995 0.000) 10.995 3.347 ( -0.000 10.743 -0.000) 10.743 3.469 ( -0.000 2.792 -0.000) 2.792 3.636 ( 0.000 -6.738 0.000) 6.738 3.731 ( -0.000 0.362 -0.000) 0.362 4.107 ( 0.000 -12.024 0.000) 12.024 4.395 ( -0.000 15.573 -0.000) 15.573 4.410 ( 0.000 -6.334 0.000) 6.334 4.416 ( -0.000 15.833 -0.000) 15.833 4.422 ( 0.000 -9.211 0.000) 9.211 4.603 ( -0.000 7.634 -0.000) 7.634 4.663 ( 0.000 -13.791 0.000) 13.791 4.976 ( -0.000 12.908 -0.000) 12.908 5.597 ( 0.000 -14.609 0.000) 14.609 5.637 ( -0.000 10.887 -0.000) 10.887 5.674 ( -0.000 7.895 -0.000) 7.895 5.946 ( 0.000 -0.397 0.000) 0.397 6.119 ( 0.000 -2.433 0.000) 2.433 6.236 ( -0.000 7.485 -0.000) 7.485 6.270 ( 0.000 -0.921 0.000) 0.921 6.632 ( 0.000 -1.856 0.000) 1.856 6.705 ( 0.000 -4.228 0.000) 4.228 6.949 ( 0.000 -0.810 0.000) 0.810 7.364 ( -0.000 0.092 -0.000) 0.092 7.672 ( -0.000 2.037 -0.000) 2.037 8.039 ( 0.000 -4.838 0.000) 4.838 8.311 ( 0.000 -14.221 0.000) 14.221 8.325 ( -0.000 0.573 -0.000) 0.573 8.523 ( -0.000 1.877 -0.000) 1.877 9.649 ( -0.000 3.385 -0.000) 3.385 10.011 ( -0.000 10.162 -0.000) 10.162 10.700 ( -0.000 0.462 -0.000) 0.462 10.966 ( 0.000 -11.246 0.000) 11.246 ======================= Grid point 179 (91/96) ======================= q-point: ( 0.36 0.64 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -1.853 -10.485 0.000) 10.647 1.498 ( 4.558 1.369 -0.000) 4.759 1.568 ( 0.013 4.849 -0.000) 4.849 1.893 ( -6.576 5.371 0.000) 8.490 1.993 ( 10.990 0.433 -0.000) 10.998 2.026 ( -2.578 4.842 0.000) 5.486 2.605 ( -0.819 -13.683 0.000) 13.707 2.801 ( 8.516 -0.094 -0.000) 8.516 2.857 ( -7.782 -10.462 0.000) 13.039 2.959 ( -6.723 5.665 0.000) 8.791 3.479 ( -6.689 8.391 0.000) 10.730 3.551 ( -1.863 -1.473 0.000) 2.375 3.556 ( 4.488 1.679 -0.000) 4.792 3.776 ( 4.958 -1.626 -0.000) 5.218 3.943 ( -2.414 -3.115 0.000) 3.941 4.178 ( -5.820 -5.007 0.000) 7.678 4.386 ( 5.713 -2.024 -0.000) 6.061 4.386 ( -6.717 -9.587 0.000) 11.706 4.610 ( -1.330 6.022 -0.000) 6.167 4.732 ( 1.238 12.611 -0.000) 12.672 4.792 ( 5.328 7.605 -0.000) 9.286 5.129 ( -1.779 7.721 0.000) 7.924 5.304 ( -1.007 -15.239 0.000) 15.273 5.815 ( 1.715 3.637 -0.000) 4.021 5.816 ( 1.486 5.427 -0.000) 5.627 5.974 ( 3.687 -0.719 -0.000) 3.756 6.142 ( 4.915 -0.390 -0.000) 4.930 6.263 ( -0.634 0.329 0.000) 0.715 6.384 ( 2.806 4.614 -0.000) 5.400 6.578 ( -2.828 -1.643 0.000) 3.271 6.664 ( 3.218 -2.421 -0.000) 4.027 6.897 ( -4.266 1.423 0.000) 4.497 7.480 ( 9.822 1.463 -0.000) 9.930 7.706 ( 1.134 0.857 -0.000) 1.422 7.925 ( -8.166 -8.607 0.000) 11.864 8.106 ( 9.011 -5.950 -0.000) 10.798 8.260 ( -8.595 1.779 0.000) 8.778 8.612 ( 3.460 2.843 -0.000) 4.478 9.682 ( -4.666 5.100 0.000) 6.913 10.094 ( 0.555 0.315 -0.000) 0.639 10.735 ( -3.445 -8.802 0.000) 9.452 10.773 ( 0.896 4.600 -0.000) 4.687 ======================= Grid point 181 (92/96) ======================= q-point: ( 0.36 -0.36 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -4.610 0.000 0.000) 4.610 1.589 ( -1.679 0.000 0.000) 1.679 1.621 ( 5.376 -0.000 -0.000) 5.376 1.757 ( -12.470 0.000 0.000) 12.470 1.974 ( -6.620 0.000 0.000) 6.620 2.262 ( 13.882 -0.000 -0.000) 13.882 2.451 ( 1.110 -0.000 -0.000) 1.110 2.585 ( -8.023 0.000 0.000) 8.023 2.846 ( -8.569 0.000 0.000) 8.569 3.025 ( 13.052 -0.000 -0.000) 13.052 3.376 ( -11.317 0.000 0.000) 11.317 3.474 ( -5.575 0.000 0.000) 5.575 3.668 ( 3.599 -0.000 -0.000) 3.599 3.829 ( 0.937 -0.000 -0.000) 0.937 3.900 ( 2.398 -0.000 -0.000) 2.398 4.050 ( -14.301 0.000 0.000) 14.301 4.074 ( -2.755 0.000 0.000) 2.755 4.467 ( 1.819 -0.000 -0.000) 1.819 4.563 ( -6.636 0.000 0.000) 6.636 4.883 ( -6.774 0.000 0.000) 6.774 5.045 ( 10.279 -0.000 -0.000) 10.279 5.049 ( 0.378 -0.000 -0.000) 0.378 5.276 ( 9.043 -0.000 -0.000) 9.043 5.875 ( 0.896 -0.000 -0.000) 0.896 5.887 ( 1.136 -0.000 -0.000) 1.136 6.046 ( 4.372 -0.000 -0.000) 4.372 6.229 ( 0.081 -0.000 -0.000) 0.081 6.248 ( -0.707 0.000 0.000) 0.707 6.462 ( -3.351 0.000 0.000) 3.351 6.505 ( 4.578 -0.000 -0.000) 4.578 6.773 ( 10.746 -0.000 -0.000) 10.746 6.885 ( 1.615 -0.000 -0.000) 1.615 7.557 ( -17.597 0.000 0.000) 17.597 7.734 ( 0.209 -0.000 -0.000) 0.209 7.750 ( 13.782 -0.000 -0.000) 13.782 8.117 ( -6.697 0.000 0.000) 6.697 8.296 ( 12.900 -0.000 -0.000) 12.900 8.698 ( 1.451 -0.000 -0.000) 1.451 9.638 ( -5.679 0.000 0.000) 5.679 10.126 ( 3.130 -0.000 -0.000) 3.130 10.557 ( -5.027 0.000 0.000) 5.027 10.838 ( 0.743 -0.000 -0.000) 0.743 ======================= Grid point 200 (93/96) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -0.000 -0.000 -4.595) 4.595 1.353 ( -0.000 -0.000 -10.413) 10.413 1.601 ( -0.000 -0.000 -2.082) 2.082 1.906 ( 0.000 0.000 3.543) 3.543 1.988 ( -0.000 -0.000 -7.910) 7.910 2.023 ( -0.000 -0.000 -7.619) 7.619 2.462 ( 0.000 0.000 0.521) 0.521 2.707 ( 0.000 0.000 0.237) 0.237 2.845 ( 0.000 0.000 0.081) 0.081 2.989 ( -0.000 -0.000 -10.271) 10.271 3.399 ( -0.000 -0.000 -13.260) 13.260 3.439 ( -0.000 -0.000 -7.635) 7.635 3.633 ( -0.000 -0.000 -4.024) 4.024 3.687 ( -0.000 -0.000 -0.008) 0.008 3.906 ( -0.000 -0.000 -7.228) 7.228 4.099 ( -0.000 -0.000 -2.344) 2.344 4.282 ( 0.000 0.000 2.536) 2.536 4.478 ( 0.000 0.000 6.807) 6.807 4.659 ( -0.000 -0.000 -6.037) 6.037 4.789 ( 0.000 0.000 3.857) 3.857 5.045 ( 0.000 0.000 4.882) 4.882 5.066 ( 0.000 0.000 1.709) 1.709 5.316 ( 0.000 0.000 6.773) 6.773 5.722 ( -0.000 -0.000 -9.618) 9.618 5.852 ( -0.000 -0.000 -0.551) 0.551 5.953 ( 0.000 0.000 1.556) 1.556 6.152 ( 0.000 0.000 5.734) 5.734 6.299 ( 0.000 0.000 0.110) 0.110 6.403 ( -0.000 -0.000 -0.734) 0.734 6.565 ( -0.000 -0.000 -1.110) 1.110 6.585 ( -0.000 -0.000 -1.131) 1.131 6.954 ( -0.000 -0.000 -1.129) 1.129 7.372 ( 0.000 0.000 0.511) 0.511 7.834 ( 0.000 0.000 12.074) 12.074 7.929 ( -0.000 -0.000 -0.983) 0.983 7.945 ( 0.000 0.000 3.447) 3.447 8.459 ( 0.000 0.000 4.830) 4.830 8.625 ( 0.000 0.000 5.269) 5.269 9.715 ( -0.000 -0.000 -6.492) 6.492 10.095 ( 0.000 0.000 2.606) 2.606 10.677 ( -0.000 -0.000 -0.304) 0.304 10.860 ( 0.000 0.000 3.302) 3.302 ======================= Grid point 216 (94/96) ======================= q-point: ( 0.43 0.57 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.000 -10.710 0.000) 10.710 1.448 ( -0.000 1.413 -0.000) 1.413 1.566 ( -0.000 5.925 -0.000) 5.925 1.869 ( 0.000 -0.531 0.000) 0.531 1.970 ( -0.000 7.030 -0.000) 7.030 2.052 ( -0.000 5.554 -0.000) 5.554 2.620 ( 0.000 -13.967 0.000) 13.967 2.709 ( 0.000 -0.467 0.000) 0.467 2.946 ( 0.000 -10.126 0.000) 10.126 3.034 ( -0.000 6.869 -0.000) 6.869 3.507 ( -0.000 1.300 -0.000) 1.300 3.543 ( -0.000 9.667 -0.000) 9.667 3.565 ( 0.000 -1.821 0.000) 1.821 3.721 ( 0.000 -1.297 0.000) 1.297 3.980 ( 0.000 -2.635 0.000) 2.635 4.235 ( 0.000 -9.905 0.000) 9.905 4.301 ( 0.000 -4.597 0.000) 4.597 4.468 ( 0.000 -6.523 0.000) 6.523 4.629 ( -0.000 9.118 -0.000) 9.118 4.659 ( -0.000 9.039 -0.000) 9.039 4.781 ( -0.000 11.747 -0.000) 11.747 5.163 ( -0.000 6.494 -0.000) 6.494 5.314 ( 0.000 -15.262 0.000) 15.262 5.796 ( -0.000 4.677 -0.000) 4.677 5.800 ( -0.000 6.124 -0.000) 6.124 5.939 ( 0.000 -0.318 0.000) 0.318 6.084 ( 0.000 -1.257 0.000) 1.257 6.269 ( -0.000 0.467 -0.000) 0.467 6.357 ( -0.000 4.886 -0.000) 4.886 6.604 ( 0.000 -0.880 0.000) 0.880 6.636 ( 0.000 -2.910 0.000) 2.910 6.961 ( -0.000 1.903 -0.000) 1.903 7.365 ( -0.000 0.025 -0.000) 0.025 7.694 ( -0.000 0.508 -0.000) 0.508 7.971 ( 0.000 -2.413 0.000) 2.413 8.045 ( 0.000 -12.717 0.000) 12.717 8.372 ( -0.000 3.312 -0.000) 3.312 8.553 ( -0.000 1.205 -0.000) 1.205 9.730 ( -0.000 4.532 -0.000) 4.532 10.089 ( 0.000 -0.601 0.000) 0.601 10.765 ( -0.000 5.228 -0.000) 5.228 10.771 ( 0.000 -8.739 0.000) 8.739 ======================= Grid point 218 (95/96) ======================= q-point: ( 0.43 0.57 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -1.953 0.000 0.000) 1.953 1.514 ( 4.844 -0.000 -0.000) 4.844 1.614 ( -0.823 0.000 0.000) 0.823 1.947 ( -2.060 0.000 0.000) 2.060 2.016 ( 5.324 -0.000 -0.000) 5.324 2.073 ( -3.392 0.000 0.000) 3.392 2.444 ( -0.321 0.000 0.000) 0.321 2.752 ( -8.188 0.000 0.000) 8.188 2.801 ( 9.139 -0.000 -0.000) 9.139 3.012 ( -7.792 0.000 0.000) 7.792 3.532 ( -2.227 0.000 0.000) 2.227 3.571 ( 4.845 -0.000 -0.000) 4.845 3.581 ( -7.987 0.000 0.000) 7.987 3.753 ( 5.311 -0.000 -0.000) 5.311 3.921 ( -2.913 0.000 0.000) 2.913 4.114 ( -1.055 0.000 0.000) 1.055 4.299 ( -10.295 0.000 0.000) 10.295 4.361 ( 8.097 -0.000 -0.000) 8.097 4.674 ( -4.407 0.000 0.000) 4.407 4.842 ( 8.670 -0.000 -0.000) 8.670 4.990 ( -2.953 0.000 0.000) 2.953 5.047 ( -0.045 0.000 0.000) 0.045 5.201 ( -0.516 0.000 0.000) 0.516 5.850 ( 1.029 -0.000 -0.000) 1.029 5.867 ( 0.841 -0.000 -0.000) 0.841 5.967 ( 3.143 -0.000 -0.000) 3.143 6.138 ( 5.836 -0.000 -0.000) 5.836 6.268 ( -0.830 0.000 0.000) 0.830 6.431 ( 2.799 -0.000 -0.000) 2.799 6.561 ( -4.026 0.000 0.000) 4.026 6.639 ( 3.703 -0.000 -0.000) 3.703 6.918 ( -4.535 0.000 0.000) 4.535 7.500 ( 11.401 -0.000 -0.000) 11.401 7.713 ( 1.354 -0.000 -0.000) 1.354 7.819 ( -9.202 0.000 0.000) 9.202 8.056 ( 10.308 -0.000 -0.000) 10.308 8.280 ( -9.263 0.000 0.000) 9.263 8.643 ( 4.372 -0.000 -0.000) 4.372 9.739 ( -4.139 0.000 0.000) 4.139 10.083 ( 1.416 -0.000 -0.000) 1.416 10.644 ( -3.533 0.000 0.000) 3.533 10.828 ( 0.307 -0.000 -0.000) 0.307 ======================= Grid point 253 (96/96) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.622 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 -0.000 0.000) 0.000 2.062 ( 0.000 -0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 -0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 3.099 ( -0.000 0.000 0.000) 0.000 3.519 ( 0.000 -0.000 0.000) 0.000 3.550 ( -0.000 -0.000 0.000) 0.000 3.669 ( 0.000 -0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 -0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 -0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 -0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.841 ( -0.000 0.000 0.000) 0.000 5.858 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.072 ( 0.000 -0.000 0.000) 0.000 6.275 ( 0.000 -0.000 0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 -0.000 0.000) 0.000 6.607 ( 0.000 -0.000 0.000) 0.000 6.990 ( 0.000 -0.000 0.000) 0.000 7.365 ( 0.000 -0.000 0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 -0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.565 ( 0.000 -0.000 0.000) 0.000 9.781 ( 0.000 -0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 10.825 ( 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 3/20580 10.0 242.792 247.426 323.416 0.000 0.000 -0.000 3/20580 20.0 85.797 97.220 94.863 0.000 0.000 -0.000 3/20580 30.0 41.266 52.589 44.235 0.000 0.000 -0.000 3/20580 40.0 23.450 31.832 24.913 0.000 0.000 -0.000 3/20580 50.0 14.990 21.090 15.749 0.000 0.000 -0.000 3/20580 60.0 10.467 15.081 10.872 0.000 0.000 -0.000 3/20580 70.0 7.818 11.460 8.038 0.000 0.000 -0.000 3/20580 80.0 6.147 9.127 6.266 0.000 0.000 -0.000 3/20580 90.0 5.027 7.536 5.087 0.000 0.000 -0.000 3/20580 100.0 4.238 6.400 4.263 0.000 0.000 -0.000 3/20580 110.0 3.658 5.555 3.661 0.000 0.000 -0.000 3/20580 120.0 3.216 4.906 3.205 0.000 0.000 -0.000 3/20580 130.0 2.870 4.395 2.850 0.000 0.000 -0.000 3/20580 140.0 2.593 3.981 2.567 0.000 0.000 -0.000 3/20580 150.0 2.366 3.641 2.336 0.000 0.000 -0.000 3/20580 160.0 2.176 3.356 2.144 0.000 0.000 -0.000 3/20580 170.0 2.016 3.114 1.982 0.000 0.000 -0.000 3/20580 180.0 1.878 2.905 1.844 0.000 0.000 -0.000 3/20580 190.0 1.759 2.724 1.725 0.000 0.000 -0.000 3/20580 200.0 1.654 2.565 1.620 0.000 0.000 -0.000 3/20580 210.0 1.562 2.424 1.528 0.000 0.000 -0.000 3/20580 220.0 1.480 2.299 1.447 0.000 0.000 -0.000 3/20580 230.0 1.407 2.186 1.373 0.000 0.000 -0.000 3/20580 240.0 1.340 2.085 1.308 0.000 0.000 -0.000 3/20580 250.0 1.280 1.992 1.248 0.000 0.000 -0.000 3/20580 260.0 1.225 1.908 1.194 0.000 0.000 -0.000 3/20580 270.0 1.175 1.831 1.145 0.000 0.000 -0.000 3/20580 280.0 1.129 1.760 1.099 0.000 0.000 -0.000 3/20580 290.0 1.087 1.695 1.058 0.000 0.000 -0.000 3/20580 300.0 1.048 1.634 1.019 0.000 0.000 -0.000 3/20580 310.0 1.011 1.578 0.983 0.000 0.000 -0.000 3/20580 320.0 0.977 1.525 0.950 0.000 0.000 -0.000 3/20580 330.0 0.946 1.476 0.919 0.000 0.000 -0.000 3/20580 340.0 0.916 1.430 0.890 0.000 0.000 -0.000 3/20580 350.0 0.888 1.387 0.863 0.000 0.000 -0.000 3/20580 360.0 0.862 1.347 0.837 0.000 0.000 -0.000 3/20580 370.0 0.838 1.309 0.813 0.000 0.000 -0.000 3/20580 380.0 0.814 1.273 0.790 0.000 0.000 -0.000 3/20580 390.0 0.793 1.239 0.769 0.000 0.000 -0.000 3/20580 400.0 0.772 1.207 0.749 0.000 0.000 -0.000 3/20580 410.0 0.752 1.176 0.730 0.000 0.000 -0.000 3/20580 420.0 0.734 1.147 0.711 0.000 0.000 -0.000 3/20580 430.0 0.716 1.120 0.694 0.000 0.000 -0.000 3/20580 440.0 0.699 1.094 0.678 0.000 0.000 -0.000 3/20580 450.0 0.683 1.069 0.662 0.000 0.000 -0.000 3/20580 460.0 0.668 1.045 0.647 0.000 0.000 -0.000 3/20580 470.0 0.653 1.022 0.633 0.000 0.000 -0.000 3/20580 480.0 0.639 1.000 0.619 0.000 0.000 -0.000 3/20580 490.0 0.625 0.979 0.606 0.000 0.000 -0.000 3/20580 500.0 0.613 0.959 0.593 0.000 0.000 -0.000 3/20580 510.0 0.600 0.940 0.581 0.000 0.000 -0.000 3/20580 520.0 0.588 0.921 0.570 0.000 0.000 -0.000 3/20580 530.0 0.577 0.904 0.559 0.000 0.000 -0.000 3/20580 540.0 0.566 0.887 0.548 0.000 0.000 -0.000 3/20580 550.0 0.556 0.870 0.538 0.000 0.000 -0.000 3/20580 560.0 0.545 0.854 0.528 0.000 0.000 -0.000 3/20580 570.0 0.536 0.839 0.519 0.000 0.000 -0.000 3/20580 580.0 0.526 0.824 0.510 0.000 0.000 -0.000 3/20580 590.0 0.517 0.810 0.501 0.000 0.000 -0.000 3/20580 600.0 0.508 0.797 0.492 0.000 0.000 -0.000 3/20580 610.0 0.500 0.783 0.484 0.000 0.000 -0.000 3/20580 620.0 0.492 0.770 0.476 0.000 0.000 -0.000 3/20580 630.0 0.484 0.758 0.468 0.000 0.000 -0.000 3/20580 640.0 0.476 0.746 0.461 0.000 0.000 -0.000 3/20580 650.0 0.469 0.734 0.454 0.000 0.000 -0.000 3/20580 660.0 0.461 0.723 0.447 0.000 0.000 -0.000 3/20580 670.0 0.454 0.712 0.440 0.000 0.000 -0.000 3/20580 680.0 0.448 0.702 0.433 0.000 0.000 -0.000 3/20580 690.0 0.441 0.691 0.427 0.000 0.000 -0.000 3/20580 700.0 0.435 0.681 0.421 0.000 0.000 -0.000 3/20580 710.0 0.429 0.672 0.415 0.000 0.000 -0.000 3/20580 720.0 0.423 0.662 0.409 0.000 0.000 -0.000 3/20580 730.0 0.417 0.653 0.403 0.000 0.000 -0.000 3/20580 740.0 0.411 0.644 0.398 0.000 0.000 -0.000 3/20580 750.0 0.405 0.636 0.392 0.000 0.000 -0.000 3/20580 760.0 0.400 0.627 0.387 0.000 0.000 -0.000 3/20580 770.0 0.395 0.619 0.382 0.000 0.000 -0.000 3/20580 780.0 0.390 0.611 0.377 0.000 0.000 -0.000 3/20580 790.0 0.385 0.603 0.372 0.000 0.000 -0.000 3/20580 800.0 0.380 0.596 0.367 0.000 0.000 -0.000 3/20580 810.0 0.375 0.588 0.363 0.000 0.000 -0.000 3/20580 820.0 0.371 0.581 0.358 0.000 0.000 -0.000 3/20580 830.0 0.366 0.574 0.354 0.000 0.000 -0.000 3/20580 840.0 0.362 0.567 0.350 0.000 0.000 -0.000 3/20580 850.0 0.357 0.560 0.346 0.000 0.000 -0.000 3/20580 860.0 0.353 0.554 0.342 0.000 0.000 -0.000 3/20580 870.0 0.349 0.547 0.338 0.000 0.000 -0.000 3/20580 880.0 0.345 0.541 0.334 0.000 0.000 -0.000 3/20580 890.0 0.341 0.535 0.330 0.000 0.000 -0.000 3/20580 900.0 0.337 0.529 0.326 0.000 0.000 -0.000 3/20580 910.0 0.334 0.523 0.323 0.000 0.000 -0.000 3/20580 920.0 0.330 0.518 0.319 0.000 0.000 -0.000 3/20580 930.0 0.326 0.512 0.316 0.000 0.000 -0.000 3/20580 940.0 0.323 0.506 0.312 0.000 0.000 -0.000 3/20580 950.0 0.319 0.501 0.309 0.000 0.000 -0.000 3/20580 960.0 0.316 0.496 0.306 0.000 0.000 -0.000 3/20580 970.0 0.313 0.491 0.303 0.000 0.000 -0.000 3/20580 980.0 0.310 0.486 0.299 0.000 0.000 -0.000 3/20580 990.0 0.306 0.481 0.296 0.000 0.000 -0.000 3/20580 1000.0 0.303 0.476 0.293 0.000 0.000 -0.000 3/20580 Thermal conductivity related properties were written into "kappa-m1770.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:32:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|