----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:27:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.152970405000000 -5.551598240000000 0.000000000000000 b 2.152970405000000 5.551598240000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.380768909999999 Atomic positions (fractional): *1 Cs 0.86101102861160 0.13898897138840 0.73828164464229 132.905 2 Cs 0.13898897138840 0.86101102861160 0.23828164464229 132.905 *3 H 0.52798942914825 0.47201057085175 0.59834964875170 1.008 4 H 0.47201057085175 0.52798942914825 0.09834964875170 1.008 *5 O 0.58565282877277 0.41434717122723 0.77308470660602 15.999 6 O 0.41434717122723 0.58565282877277 0.27308470660602 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.305940809999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.103196479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.380768909999999 Atomic positions (fractional): *1 Cs 0.50000000000000 0.63898897138840 0.73828164464229 132.905 > 1 2 Cs 0.00000000000000 0.86101102861160 0.23828164464229 132.905 > 2 3 Cs 0.00000000000000 0.13898897138840 0.73828164464229 132.905 > 1 4 Cs 0.50000000000000 0.36101102861160 0.23828164464229 132.905 > 2 *5 H 0.50000000000000 0.97201057085175 0.59834964875170 1.008 > 3 6 H 0.00000000000000 0.52798942914825 0.09834964875170 1.008 > 4 7 H 0.00000000000000 0.47201057085175 0.59834964875170 1.008 > 3 8 H 0.50000000000000 0.02798942914825 0.09834964875170 1.008 > 4 *9 O 0.50000000000000 0.91434717122723 0.77308470660602 15.999 > 5 10 O 0.00000000000000 0.58565282877277 0.27308470660602 15.999 > 6 11 O 0.00000000000000 0.41434717122723 0.77308470660602 15.999 > 5 12 O 0.50000000000000 0.08565282877277 0.27308470660602 15.999 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.917822429999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.103196479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.142306729999996 Atomic positions (fractional): *1 Cs 0.16666666666667 0.63898897138840 0.24609388154743 132.905 > 1 2 Cs 0.50000000000000 0.63898897138840 0.24609388154743 132.905 > 1 3 Cs 0.83333333333333 0.63898897138840 0.24609388154743 132.905 > 1 4 Cs 0.16666666666667 0.63898897138840 0.57942721488076 132.905 > 1 5 Cs 0.50000000000000 0.63898897138840 0.57942721488076 132.905 > 1 6 Cs 0.83333333333333 0.63898897138840 0.57942721488076 132.905 > 1 7 Cs 0.16666666666667 0.63898897138840 0.91276054821410 132.905 > 1 8 Cs 0.50000000000000 0.63898897138840 0.91276054821410 132.905 > 1 9 Cs 0.83333333333333 0.63898897138840 0.91276054821410 132.905 > 1 10 Cs 0.00000000000000 0.86101102861160 0.07942721488076 132.905 > 2 11 Cs 0.33333333333333 0.86101102861160 0.07942721488076 132.905 > 2 12 Cs 0.66666666666667 0.86101102861160 0.07942721488076 132.905 > 2 13 Cs 0.00000000000000 0.86101102861160 0.41276054821410 132.905 > 2 14 Cs 0.33333333333333 0.86101102861160 0.41276054821410 132.905 > 2 15 Cs 0.66666666666667 0.86101102861160 0.41276054821410 132.905 > 2 16 Cs 0.00000000000000 0.86101102861160 0.74609388154743 132.905 > 2 17 Cs 0.33333333333333 0.86101102861160 0.74609388154743 132.905 > 2 18 Cs 0.66666666666667 0.86101102861160 0.74609388154743 132.905 > 2 19 Cs 0.00000000000000 0.13898897138840 0.24609388154743 132.905 > 1 20 Cs 0.33333333333333 0.13898897138840 0.24609388154743 132.905 > 1 21 Cs 0.66666666666667 0.13898897138840 0.24609388154743 132.905 > 1 22 Cs 0.00000000000000 0.13898897138840 0.57942721488076 132.905 > 1 23 Cs 0.33333333333333 0.13898897138840 0.57942721488076 132.905 > 1 24 Cs 0.66666666666667 0.13898897138840 0.57942721488076 132.905 > 1 25 Cs 0.00000000000000 0.13898897138840 0.91276054821410 132.905 > 1 26 Cs 0.33333333333333 0.13898897138840 0.91276054821410 132.905 > 1 27 Cs 0.66666666666667 0.13898897138840 0.91276054821410 132.905 > 1 28 Cs 0.16666666666667 0.36101102861160 0.07942721488076 132.905 > 2 29 Cs 0.50000000000000 0.36101102861160 0.07942721488076 132.905 > 2 30 Cs 0.83333333333333 0.36101102861160 0.07942721488076 132.905 > 2 31 Cs 0.16666666666667 0.36101102861160 0.41276054821410 132.905 > 2 32 Cs 0.50000000000000 0.36101102861160 0.41276054821410 132.905 > 2 33 Cs 0.83333333333333 0.36101102861160 0.41276054821410 132.905 > 2 34 Cs 0.16666666666667 0.36101102861160 0.74609388154743 132.905 > 2 35 Cs 0.50000000000000 0.36101102861160 0.74609388154743 132.905 > 2 36 Cs 0.83333333333333 0.36101102861160 0.74609388154743 132.905 > 2 *37 H 0.16666666666667 0.97201057085175 0.19944988291723 1.008 > 3 38 H 0.50000000000000 0.97201057085175 0.19944988291723 1.008 > 3 39 H 0.83333333333333 0.97201057085175 0.19944988291723 1.008 > 3 40 H 0.16666666666667 0.97201057085175 0.53278321625057 1.008 > 3 41 H 0.50000000000000 0.97201057085175 0.53278321625057 1.008 > 3 42 H 0.83333333333333 0.97201057085175 0.53278321625057 1.008 > 3 43 H 0.16666666666667 0.97201057085175 0.86611654958390 1.008 > 3 44 H 0.50000000000000 0.97201057085175 0.86611654958390 1.008 > 3 45 H 0.83333333333333 0.97201057085175 0.86611654958390 1.008 > 3 46 H 0.00000000000000 0.52798942914825 0.03278321625057 1.008 > 4 47 H 0.33333333333333 0.52798942914825 0.03278321625057 1.008 > 4 48 H 0.66666666666667 0.52798942914825 0.03278321625057 1.008 > 4 49 H 0.00000000000000 0.52798942914825 0.36611654958390 1.008 > 4 50 H 0.33333333333333 0.52798942914825 0.36611654958390 1.008 > 4 51 H 0.66666666666667 0.52798942914825 0.36611654958390 1.008 > 4 52 H 0.00000000000000 0.52798942914825 0.69944988291723 1.008 > 4 53 H 0.33333333333333 0.52798942914825 0.69944988291723 1.008 > 4 54 H 0.66666666666667 0.52798942914825 0.69944988291723 1.008 > 4 55 H 0.00000000000000 0.47201057085175 0.19944988291723 1.008 > 3 56 H 0.33333333333333 0.47201057085175 0.19944988291723 1.008 > 3 57 H 0.66666666666667 0.47201057085175 0.19944988291723 1.008 > 3 58 H 0.00000000000000 0.47201057085175 0.53278321625057 1.008 > 3 59 H 0.33333333333333 0.47201057085175 0.53278321625057 1.008 > 3 60 H 0.66666666666667 0.47201057085175 0.53278321625057 1.008 > 3 61 H 0.00000000000000 0.47201057085175 0.86611654958390 1.008 > 3 62 H 0.33333333333333 0.47201057085175 0.86611654958390 1.008 > 3 63 H 0.66666666666667 0.47201057085175 0.86611654958390 1.008 > 3 64 H 0.16666666666667 0.02798942914825 0.03278321625057 1.008 > 4 65 H 0.50000000000000 0.02798942914825 0.03278321625057 1.008 > 4 66 H 0.83333333333333 0.02798942914825 0.03278321625057 1.008 > 4 67 H 0.16666666666667 0.02798942914825 0.36611654958390 1.008 > 4 68 H 0.50000000000000 0.02798942914825 0.36611654958390 1.008 > 4 69 H 0.83333333333333 0.02798942914825 0.36611654958390 1.008 > 4 70 H 0.16666666666667 0.02798942914825 0.69944988291723 1.008 > 4 71 H 0.50000000000000 0.02798942914825 0.69944988291723 1.008 > 4 72 H 0.83333333333333 0.02798942914825 0.69944988291723 1.008 > 4 *73 O 0.16666666666667 0.91434717122723 0.25769490220201 15.999 > 5 74 O 0.50000000000000 0.91434717122723 0.25769490220201 15.999 > 5 75 O 0.83333333333333 0.91434717122723 0.25769490220201 15.999 > 5 76 O 0.16666666666667 0.91434717122723 0.59102823553534 15.999 > 5 77 O 0.50000000000000 0.91434717122723 0.59102823553534 15.999 > 5 78 O 0.83333333333333 0.91434717122723 0.59102823553534 15.999 > 5 79 O 0.16666666666667 0.91434717122723 0.92436156886867 15.999 > 5 80 O 0.50000000000000 0.91434717122723 0.92436156886867 15.999 > 5 81 O 0.83333333333333 0.91434717122723 0.92436156886867 15.999 > 5 82 O 0.00000000000000 0.58565282877277 0.09102823553534 15.999 > 6 83 O 0.33333333333333 0.58565282877277 0.09102823553534 15.999 > 6 84 O 0.66666666666667 0.58565282877277 0.09102823553534 15.999 > 6 85 O 0.00000000000000 0.58565282877277 0.42436156886867 15.999 > 6 86 O 0.33333333333333 0.58565282877277 0.42436156886867 15.999 > 6 87 O 0.66666666666667 0.58565282877277 0.42436156886867 15.999 > 6 88 O 0.00000000000000 0.58565282877277 0.75769490220201 15.999 > 6 89 O 0.33333333333333 0.58565282877277 0.75769490220201 15.999 > 6 90 O 0.66666666666667 0.58565282877277 0.75769490220201 15.999 > 6 91 O 0.00000000000000 0.41434717122723 0.25769490220201 15.999 > 5 92 O 0.33333333333333 0.41434717122723 0.25769490220201 15.999 > 5 93 O 0.66666666666667 0.41434717122723 0.25769490220201 15.999 > 5 94 O 0.00000000000000 0.41434717122723 0.59102823553534 15.999 > 5 95 O 0.33333333333333 0.41434717122723 0.59102823553534 15.999 > 5 96 O 0.66666666666667 0.41434717122723 0.59102823553534 15.999 > 5 97 O 0.00000000000000 0.41434717122723 0.92436156886867 15.999 > 5 98 O 0.33333333333333 0.41434717122723 0.92436156886867 15.999 > 5 99 O 0.66666666666667 0.41434717122723 0.92436156886867 15.999 > 5 100 O 0.16666666666667 0.08565282877277 0.09102823553534 15.999 > 6 101 O 0.50000000000000 0.08565282877277 0.09102823553534 15.999 > 6 102 O 0.83333333333333 0.08565282877277 0.09102823553534 15.999 > 6 103 O 0.16666666666667 0.08565282877277 0.42436156886867 15.999 > 6 104 O 0.50000000000000 0.08565282877277 0.42436156886867 15.999 > 6 105 O 0.83333333333333 0.08565282877277 0.42436156886867 15.999 > 6 106 O 0.16666666666667 0.08565282877277 0.75769490220201 15.999 > 6 107 O 0.50000000000000 0.08565282877277 0.75769490220201 15.999 > 6 108 O 0.83333333333333 0.08565282877277 0.75769490220201 15.999 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1551166 0.0000000 0.0000000 0.0000000 3.1216798 0.0000000 0.0000000 0.0000000 3.1120400 -------------------------- Born effective charges -------------------------- 1 Cs 1.3854945 0.0000000 0.0000000 0.0000000 1.3380676 0.0522081 0.0000000 0.0253045 1.3307528 2 Cs 1.3854945 0.0000000 0.0000000 0.0000000 1.3380676 -0.0522081 0.0000000 -0.0253045 1.3307528 3 H 0.2383797 0.0000000 0.0000000 0.0000000 0.4176171 -0.3229609 0.0000000 -0.3345631 0.6603731 4 H 0.2383797 0.0000000 0.0000000 0.0000000 0.4176171 0.3229609 0.0000000 0.3345631 0.6603731 5 O -1.6238743 0.0000000 0.0000000 0.0000000 -1.7556847 0.0451224 0.0000000 0.0062003 -1.9911260 6 O -1.6238743 0.0000000 0.0000000 0.0000000 -1.7556847 -0.0451224 0.0000000 -0.0062003 -1.9911260 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 3609/3609 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 792 Number of blocks in projector: 792 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: 216 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (792, 777), data: False |-- (108, 108), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (216, 210), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.748 Solver_block: 200 / 240 - Time: 0.716 Solver_block: 240 / 240 - Time: 0.351 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.828 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 3609/3609 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 792 Number of blocks in projector: 792 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: 216 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (792, 777), data: False |-- (108, 108), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (216, 210), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:28:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:28:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.152970405000000 -5.551598240000000 0.000000000000000 b 2.152970405000000 5.551598240000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.380768909999999 Atomic positions (fractional): 1 Cs 0.86101102861160 0.13898897138840 0.73828164464229 132.905 2 Cs 0.13898897138840 0.86101102861160 0.23828164464229 132.905 3 H 0.52798942914825 0.47201057085175 0.59834964875170 1.008 4 H 0.47201057085175 0.52798942914825 0.09834964875170 1.008 5 O 0.58565282877277 0.41434717122723 0.77308470660602 15.999 6 O 0.41434717122723 0.58565282877277 0.27308470660602 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.917822429999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.103196479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.142306729999996 Atomic positions (fractional): 1 Cs 0.16666666666667 0.63898897138840 0.24609388154743 132.905 > 1 2 Cs 0.50000000000000 0.63898897138840 0.24609388154743 132.905 > 1 3 Cs 0.83333333333333 0.63898897138840 0.24609388154743 132.905 > 1 4 Cs 0.16666666666667 0.63898897138840 0.57942721488076 132.905 > 1 5 Cs 0.50000000000000 0.63898897138840 0.57942721488076 132.905 > 1 6 Cs 0.83333333333333 0.63898897138840 0.57942721488076 132.905 > 1 7 Cs 0.16666666666667 0.63898897138840 0.91276054821410 132.905 > 1 8 Cs 0.50000000000000 0.63898897138840 0.91276054821410 132.905 > 1 9 Cs 0.83333333333333 0.63898897138840 0.91276054821410 132.905 > 1 10 Cs 0.00000000000000 0.86101102861160 0.07942721488076 132.905 > 10 11 Cs 0.33333333333333 0.86101102861160 0.07942721488076 132.905 > 10 12 Cs 0.66666666666667 0.86101102861160 0.07942721488076 132.905 > 10 13 Cs 0.00000000000000 0.86101102861160 0.41276054821410 132.905 > 10 14 Cs 0.33333333333333 0.86101102861160 0.41276054821410 132.905 > 10 15 Cs 0.66666666666667 0.86101102861160 0.41276054821410 132.905 > 10 16 Cs 0.00000000000000 0.86101102861160 0.74609388154743 132.905 > 10 17 Cs 0.33333333333333 0.86101102861160 0.74609388154743 132.905 > 10 18 Cs 0.66666666666667 0.86101102861160 0.74609388154743 132.905 > 10 19 Cs 0.00000000000000 0.13898897138840 0.24609388154743 132.905 > 1 20 Cs 0.33333333333333 0.13898897138840 0.24609388154743 132.905 > 1 21 Cs 0.66666666666667 0.13898897138840 0.24609388154743 132.905 > 1 22 Cs 0.00000000000000 0.13898897138840 0.57942721488076 132.905 > 1 23 Cs 0.33333333333333 0.13898897138840 0.57942721488076 132.905 > 1 24 Cs 0.66666666666667 0.13898897138840 0.57942721488076 132.905 > 1 25 Cs 0.00000000000000 0.13898897138840 0.91276054821410 132.905 > 1 26 Cs 0.33333333333333 0.13898897138840 0.91276054821410 132.905 > 1 27 Cs 0.66666666666667 0.13898897138840 0.91276054821410 132.905 > 1 28 Cs 0.16666666666667 0.36101102861160 0.07942721488076 132.905 > 10 29 Cs 0.50000000000000 0.36101102861160 0.07942721488076 132.905 > 10 30 Cs 0.83333333333333 0.36101102861160 0.07942721488076 132.905 > 10 31 Cs 0.16666666666667 0.36101102861160 0.41276054821410 132.905 > 10 32 Cs 0.50000000000000 0.36101102861160 0.41276054821410 132.905 > 10 33 Cs 0.83333333333333 0.36101102861160 0.41276054821410 132.905 > 10 34 Cs 0.16666666666667 0.36101102861160 0.74609388154743 132.905 > 10 35 Cs 0.50000000000000 0.36101102861160 0.74609388154743 132.905 > 10 36 Cs 0.83333333333333 0.36101102861160 0.74609388154743 132.905 > 10 37 H 0.16666666666667 0.97201057085175 0.19944988291723 1.008 > 37 38 H 0.50000000000000 0.97201057085175 0.19944988291723 1.008 > 37 39 H 0.83333333333333 0.97201057085175 0.19944988291723 1.008 > 37 40 H 0.16666666666667 0.97201057085175 0.53278321625057 1.008 > 37 41 H 0.50000000000000 0.97201057085175 0.53278321625057 1.008 > 37 42 H 0.83333333333333 0.97201057085175 0.53278321625057 1.008 > 37 43 H 0.16666666666667 0.97201057085175 0.86611654958390 1.008 > 37 44 H 0.50000000000000 0.97201057085175 0.86611654958390 1.008 > 37 45 H 0.83333333333333 0.97201057085175 0.86611654958390 1.008 > 37 46 H 0.00000000000000 0.52798942914825 0.03278321625057 1.008 > 46 47 H 0.33333333333333 0.52798942914825 0.03278321625057 1.008 > 46 48 H 0.66666666666667 0.52798942914825 0.03278321625057 1.008 > 46 49 H 0.00000000000000 0.52798942914825 0.36611654958390 1.008 > 46 50 H 0.33333333333333 0.52798942914825 0.36611654958390 1.008 > 46 51 H 0.66666666666667 0.52798942914825 0.36611654958390 1.008 > 46 52 H 0.00000000000000 0.52798942914825 0.69944988291723 1.008 > 46 53 H 0.33333333333333 0.52798942914825 0.69944988291723 1.008 > 46 54 H 0.66666666666667 0.52798942914825 0.69944988291723 1.008 > 46 55 H 0.00000000000000 0.47201057085175 0.19944988291723 1.008 > 37 56 H 0.33333333333333 0.47201057085175 0.19944988291723 1.008 > 37 57 H 0.66666666666667 0.47201057085175 0.19944988291723 1.008 > 37 58 H 0.00000000000000 0.47201057085175 0.53278321625057 1.008 > 37 59 H 0.33333333333333 0.47201057085175 0.53278321625057 1.008 > 37 60 H 0.66666666666667 0.47201057085175 0.53278321625057 1.008 > 37 61 H 0.00000000000000 0.47201057085175 0.86611654958390 1.008 > 37 62 H 0.33333333333333 0.47201057085175 0.86611654958390 1.008 > 37 63 H 0.66666666666667 0.47201057085175 0.86611654958390 1.008 > 37 64 H 0.16666666666667 0.02798942914825 0.03278321625057 1.008 > 46 65 H 0.50000000000000 0.02798942914825 0.03278321625057 1.008 > 46 66 H 0.83333333333333 0.02798942914825 0.03278321625057 1.008 > 46 67 H 0.16666666666667 0.02798942914825 0.36611654958390 1.008 > 46 68 H 0.50000000000000 0.02798942914825 0.36611654958390 1.008 > 46 69 H 0.83333333333333 0.02798942914825 0.36611654958390 1.008 > 46 70 H 0.16666666666667 0.02798942914825 0.69944988291723 1.008 > 46 71 H 0.50000000000000 0.02798942914825 0.69944988291723 1.008 > 46 72 H 0.83333333333333 0.02798942914825 0.69944988291723 1.008 > 46 73 O 0.16666666666667 0.91434717122723 0.25769490220201 15.999 > 73 74 O 0.50000000000000 0.91434717122723 0.25769490220201 15.999 > 73 75 O 0.83333333333333 0.91434717122723 0.25769490220201 15.999 > 73 76 O 0.16666666666667 0.91434717122723 0.59102823553534 15.999 > 73 77 O 0.50000000000000 0.91434717122723 0.59102823553534 15.999 > 73 78 O 0.83333333333333 0.91434717122723 0.59102823553534 15.999 > 73 79 O 0.16666666666667 0.91434717122723 0.92436156886867 15.999 > 73 80 O 0.50000000000000 0.91434717122723 0.92436156886867 15.999 > 73 81 O 0.83333333333333 0.91434717122723 0.92436156886867 15.999 > 73 82 O 0.00000000000000 0.58565282877277 0.09102823553534 15.999 > 82 83 O 0.33333333333333 0.58565282877277 0.09102823553534 15.999 > 82 84 O 0.66666666666667 0.58565282877277 0.09102823553534 15.999 > 82 85 O 0.00000000000000 0.58565282877277 0.42436156886867 15.999 > 82 86 O 0.33333333333333 0.58565282877277 0.42436156886867 15.999 > 82 87 O 0.66666666666667 0.58565282877277 0.42436156886867 15.999 > 82 88 O 0.00000000000000 0.58565282877277 0.75769490220201 15.999 > 82 89 O 0.33333333333333 0.58565282877277 0.75769490220201 15.999 > 82 90 O 0.66666666666667 0.58565282877277 0.75769490220201 15.999 > 82 91 O 0.00000000000000 0.41434717122723 0.25769490220201 15.999 > 73 92 O 0.33333333333333 0.41434717122723 0.25769490220201 15.999 > 73 93 O 0.66666666666667 0.41434717122723 0.25769490220201 15.999 > 73 94 O 0.00000000000000 0.41434717122723 0.59102823553534 15.999 > 73 95 O 0.33333333333333 0.41434717122723 0.59102823553534 15.999 > 73 96 O 0.66666666666667 0.41434717122723 0.59102823553534 15.999 > 73 97 O 0.00000000000000 0.41434717122723 0.92436156886867 15.999 > 73 98 O 0.33333333333333 0.41434717122723 0.92436156886867 15.999 > 73 99 O 0.66666666666667 0.41434717122723 0.92436156886867 15.999 > 73 100 O 0.16666666666667 0.08565282877277 0.09102823553534 15.999 > 82 101 O 0.50000000000000 0.08565282877277 0.09102823553534 15.999 > 82 102 O 0.83333333333333 0.08565282877277 0.09102823553534 15.999 > 82 103 O 0.16666666666667 0.08565282877277 0.42436156886867 15.999 > 82 104 O 0.50000000000000 0.08565282877277 0.42436156886867 15.999 > 82 105 O 0.83333333333333 0.08565282877277 0.42436156886867 15.999 > 82 106 O 0.16666666666667 0.08565282877277 0.75769490220201 15.999 > 82 107 O 0.50000000000000 0.08565282877277 0.75769490220201 15.999 > 82 108 O 0.83333333333333 0.08565282877277 0.75769490220201 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1551166 0.0000000 0.0000000 0.0000000 3.1216798 0.0000000 0.0000000 0.0000000 3.1120400 -------------------------- Born effective charges -------------------------- 1 Cs 1.3854945 0.0000000 0.0000000 0.0000000 1.3380676 0.0522081 0.0000000 0.0253045 1.3307528 2 Cs 1.3854945 0.0000000 0.0000000 0.0000000 1.3380676 -0.0522081 0.0000000 -0.0253045 1.3307528 3 H 0.2383797 0.0000000 0.0000000 0.0000000 0.4176171 -0.3229609 0.0000000 -0.3345631 0.6603731 4 H 0.2383797 0.0000000 0.0000000 0.0000000 0.4176171 0.3229609 0.0000000 0.3345631 0.6603731 5 O -1.6238743 0.0000000 0.0000000 0.0000000 -1.7556847 0.0451224 0.0000000 0.0062003 -1.9911260 6 O -1.6238743 0.0000000 0.0000000 0.0000000 -1.7556847 -0.0451224 0.0000000 -0.0062003 -1.9911260 ---------------------------------------------------------------------------- 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 20:28:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:28:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.152970405000000 -5.551598240000000 0.000000000000000 b 2.152970405000000 5.551598240000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.380768909999999 Atomic positions (fractional): 1 Cs 0.86101102861160 0.13898897138840 0.73828164464229 132.905 2 Cs 0.13898897138840 0.86101102861160 0.23828164464229 132.905 3 H 0.52798942914825 0.47201057085175 0.59834964875170 1.008 4 H 0.47201057085175 0.52798942914825 0.09834964875170 1.008 5 O 0.58565282877277 0.41434717122723 0.77308470660602 15.999 6 O 0.41434717122723 0.58565282877277 0.27308470660602 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.917822429999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.103196479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.142306729999996 Atomic positions (fractional): 1 Cs 0.16666666666667 0.63898897138840 0.24609388154743 132.905 > 1 2 Cs 0.50000000000000 0.63898897138840 0.24609388154743 132.905 > 1 3 Cs 0.83333333333333 0.63898897138840 0.24609388154743 132.905 > 1 4 Cs 0.16666666666667 0.63898897138840 0.57942721488076 132.905 > 1 5 Cs 0.50000000000000 0.63898897138840 0.57942721488076 132.905 > 1 6 Cs 0.83333333333333 0.63898897138840 0.57942721488076 132.905 > 1 7 Cs 0.16666666666667 0.63898897138840 0.91276054821410 132.905 > 1 8 Cs 0.50000000000000 0.63898897138840 0.91276054821410 132.905 > 1 9 Cs 0.83333333333333 0.63898897138840 0.91276054821410 132.905 > 1 10 Cs 0.00000000000000 0.86101102861160 0.07942721488076 132.905 > 10 11 Cs 0.33333333333333 0.86101102861160 0.07942721488076 132.905 > 10 12 Cs 0.66666666666667 0.86101102861160 0.07942721488076 132.905 > 10 13 Cs 0.00000000000000 0.86101102861160 0.41276054821410 132.905 > 10 14 Cs 0.33333333333333 0.86101102861160 0.41276054821410 132.905 > 10 15 Cs 0.66666666666667 0.86101102861160 0.41276054821410 132.905 > 10 16 Cs 0.00000000000000 0.86101102861160 0.74609388154743 132.905 > 10 17 Cs 0.33333333333333 0.86101102861160 0.74609388154743 132.905 > 10 18 Cs 0.66666666666667 0.86101102861160 0.74609388154743 132.905 > 10 19 Cs 0.00000000000000 0.13898897138840 0.24609388154743 132.905 > 1 20 Cs 0.33333333333333 0.13898897138840 0.24609388154743 132.905 > 1 21 Cs 0.66666666666667 0.13898897138840 0.24609388154743 132.905 > 1 22 Cs 0.00000000000000 0.13898897138840 0.57942721488076 132.905 > 1 23 Cs 0.33333333333333 0.13898897138840 0.57942721488076 132.905 > 1 24 Cs 0.66666666666667 0.13898897138840 0.57942721488076 132.905 > 1 25 Cs 0.00000000000000 0.13898897138840 0.91276054821410 132.905 > 1 26 Cs 0.33333333333333 0.13898897138840 0.91276054821410 132.905 > 1 27 Cs 0.66666666666667 0.13898897138840 0.91276054821410 132.905 > 1 28 Cs 0.16666666666667 0.36101102861160 0.07942721488076 132.905 > 10 29 Cs 0.50000000000000 0.36101102861160 0.07942721488076 132.905 > 10 30 Cs 0.83333333333333 0.36101102861160 0.07942721488076 132.905 > 10 31 Cs 0.16666666666667 0.36101102861160 0.41276054821410 132.905 > 10 32 Cs 0.50000000000000 0.36101102861160 0.41276054821410 132.905 > 10 33 Cs 0.83333333333333 0.36101102861160 0.41276054821410 132.905 > 10 34 Cs 0.16666666666667 0.36101102861160 0.74609388154743 132.905 > 10 35 Cs 0.50000000000000 0.36101102861160 0.74609388154743 132.905 > 10 36 Cs 0.83333333333333 0.36101102861160 0.74609388154743 132.905 > 10 37 H 0.16666666666667 0.97201057085175 0.19944988291723 1.008 > 37 38 H 0.50000000000000 0.97201057085175 0.19944988291723 1.008 > 37 39 H 0.83333333333333 0.97201057085175 0.19944988291723 1.008 > 37 40 H 0.16666666666667 0.97201057085175 0.53278321625057 1.008 > 37 41 H 0.50000000000000 0.97201057085175 0.53278321625057 1.008 > 37 42 H 0.83333333333333 0.97201057085175 0.53278321625057 1.008 > 37 43 H 0.16666666666667 0.97201057085175 0.86611654958390 1.008 > 37 44 H 0.50000000000000 0.97201057085175 0.86611654958390 1.008 > 37 45 H 0.83333333333333 0.97201057085175 0.86611654958390 1.008 > 37 46 H 0.00000000000000 0.52798942914825 0.03278321625057 1.008 > 46 47 H 0.33333333333333 0.52798942914825 0.03278321625057 1.008 > 46 48 H 0.66666666666667 0.52798942914825 0.03278321625057 1.008 > 46 49 H 0.00000000000000 0.52798942914825 0.36611654958390 1.008 > 46 50 H 0.33333333333333 0.52798942914825 0.36611654958390 1.008 > 46 51 H 0.66666666666667 0.52798942914825 0.36611654958390 1.008 > 46 52 H 0.00000000000000 0.52798942914825 0.69944988291723 1.008 > 46 53 H 0.33333333333333 0.52798942914825 0.69944988291723 1.008 > 46 54 H 0.66666666666667 0.52798942914825 0.69944988291723 1.008 > 46 55 H 0.00000000000000 0.47201057085175 0.19944988291723 1.008 > 37 56 H 0.33333333333333 0.47201057085175 0.19944988291723 1.008 > 37 57 H 0.66666666666667 0.47201057085175 0.19944988291723 1.008 > 37 58 H 0.00000000000000 0.47201057085175 0.53278321625057 1.008 > 37 59 H 0.33333333333333 0.47201057085175 0.53278321625057 1.008 > 37 60 H 0.66666666666667 0.47201057085175 0.53278321625057 1.008 > 37 61 H 0.00000000000000 0.47201057085175 0.86611654958390 1.008 > 37 62 H 0.33333333333333 0.47201057085175 0.86611654958390 1.008 > 37 63 H 0.66666666666667 0.47201057085175 0.86611654958390 1.008 > 37 64 H 0.16666666666667 0.02798942914825 0.03278321625057 1.008 > 46 65 H 0.50000000000000 0.02798942914825 0.03278321625057 1.008 > 46 66 H 0.83333333333333 0.02798942914825 0.03278321625057 1.008 > 46 67 H 0.16666666666667 0.02798942914825 0.36611654958390 1.008 > 46 68 H 0.50000000000000 0.02798942914825 0.36611654958390 1.008 > 46 69 H 0.83333333333333 0.02798942914825 0.36611654958390 1.008 > 46 70 H 0.16666666666667 0.02798942914825 0.69944988291723 1.008 > 46 71 H 0.50000000000000 0.02798942914825 0.69944988291723 1.008 > 46 72 H 0.83333333333333 0.02798942914825 0.69944988291723 1.008 > 46 73 O 0.16666666666667 0.91434717122723 0.25769490220201 15.999 > 73 74 O 0.50000000000000 0.91434717122723 0.25769490220201 15.999 > 73 75 O 0.83333333333333 0.91434717122723 0.25769490220201 15.999 > 73 76 O 0.16666666666667 0.91434717122723 0.59102823553534 15.999 > 73 77 O 0.50000000000000 0.91434717122723 0.59102823553534 15.999 > 73 78 O 0.83333333333333 0.91434717122723 0.59102823553534 15.999 > 73 79 O 0.16666666666667 0.91434717122723 0.92436156886867 15.999 > 73 80 O 0.50000000000000 0.91434717122723 0.92436156886867 15.999 > 73 81 O 0.83333333333333 0.91434717122723 0.92436156886867 15.999 > 73 82 O 0.00000000000000 0.58565282877277 0.09102823553534 15.999 > 82 83 O 0.33333333333333 0.58565282877277 0.09102823553534 15.999 > 82 84 O 0.66666666666667 0.58565282877277 0.09102823553534 15.999 > 82 85 O 0.00000000000000 0.58565282877277 0.42436156886867 15.999 > 82 86 O 0.33333333333333 0.58565282877277 0.42436156886867 15.999 > 82 87 O 0.66666666666667 0.58565282877277 0.42436156886867 15.999 > 82 88 O 0.00000000000000 0.58565282877277 0.75769490220201 15.999 > 82 89 O 0.33333333333333 0.58565282877277 0.75769490220201 15.999 > 82 90 O 0.66666666666667 0.58565282877277 0.75769490220201 15.999 > 82 91 O 0.00000000000000 0.41434717122723 0.25769490220201 15.999 > 73 92 O 0.33333333333333 0.41434717122723 0.25769490220201 15.999 > 73 93 O 0.66666666666667 0.41434717122723 0.25769490220201 15.999 > 73 94 O 0.00000000000000 0.41434717122723 0.59102823553534 15.999 > 73 95 O 0.33333333333333 0.41434717122723 0.59102823553534 15.999 > 73 96 O 0.66666666666667 0.41434717122723 0.59102823553534 15.999 > 73 97 O 0.00000000000000 0.41434717122723 0.92436156886867 15.999 > 73 98 O 0.33333333333333 0.41434717122723 0.92436156886867 15.999 > 73 99 O 0.66666666666667 0.41434717122723 0.92436156886867 15.999 > 73 100 O 0.16666666666667 0.08565282877277 0.09102823553534 15.999 > 82 101 O 0.50000000000000 0.08565282877277 0.09102823553534 15.999 > 82 102 O 0.83333333333333 0.08565282877277 0.09102823553534 15.999 > 82 103 O 0.16666666666667 0.08565282877277 0.42436156886867 15.999 > 82 104 O 0.50000000000000 0.08565282877277 0.42436156886867 15.999 > 82 105 O 0.83333333333333 0.08565282877277 0.42436156886867 15.999 > 82 106 O 0.16666666666667 0.08565282877277 0.75769490220201 15.999 > 82 107 O 0.50000000000000 0.08565282877277 0.75769490220201 15.999 > 82 108 O 0.83333333333333 0.08565282877277 0.75769490220201 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1551166 0.0000000 0.0000000 0.0000000 3.1216798 0.0000000 0.0000000 0.0000000 3.1120400 -------------------------- Born effective charges -------------------------- 1 Cs 1.3854945 0.0000000 0.0000000 0.0000000 1.3380676 0.0522081 0.0000000 0.0253045 1.3307528 2 Cs 1.3854945 0.0000000 0.0000000 0.0000000 1.3380676 -0.0522081 0.0000000 -0.0253045 1.3307528 3 H 0.2383797 0.0000000 0.0000000 0.0000000 0.4176171 -0.3229609 0.0000000 -0.3345631 0.6603731 4 H 0.2383797 0.0000000 0.0000000 0.0000000 0.4176171 0.3229609 0.0000000 0.3345631 0.6603731 5 O -1.6238743 0.0000000 0.0000000 0.0000000 -1.7556847 0.0451224 0.0000000 0.0062003 -1.9911260 6 O -1.6238743 0.0000000 0.0000000 0.0000000 -1.7556847 -0.0451224 0.0000000 -0.0062003 -1.9911260 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 11 ] 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: 0.88, Number of G-points: 313, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/258) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 258 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 1.738 ( 0.000 0.000 -0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 -0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 23.981 ( 0.000 0.000 0.000) 0.000 26.618 ( 0.000 0.000 -0.000) 0.000 27.215 ( 0.000 0.000 -0.000) 0.000 31.972 ( 0.000 0.000 0.000) 0.000 96.378 ( 0.000 0.000 0.000) 0.000 98.614 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/258) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( 11.686 -11.616 0.000) 16.478 0.378 ( 16.653 -5.645 0.000) 17.584 0.571 ( 26.310 -7.462 0.000) 27.347 1.734 ( -0.456 -0.137 0.000) 0.476 1.964 ( -0.741 1.008 0.000) 1.252 2.610 ( -2.202 1.424 0.000) 2.623 3.040 ( 10.706 0.642 0.000) 10.726 3.368 ( 4.245 -0.445 0.000) 4.268 3.919 ( 3.895 3.304 0.000) 5.107 5.520 ( -0.561 -3.291 0.000) 3.338 6.922 ( 7.796 18.046 0.000) 19.658 7.303 ( -5.622 -8.956 0.000) 10.574 23.980 ( -0.202 -0.144 0.000) 0.248 26.615 ( -0.491 -0.374 0.000) 0.618 27.596 ( 5.483 13.123 0.000) 14.222 31.952 ( -4.979 -3.321 0.000) 5.985 96.377 ( -0.089 0.058 0.000) 0.106 98.656 ( -6.604 -12.964 0.000) 14.549 ======================= Grid point 2 (3/258) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 444 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 12.116 -9.809 0.000) 15.589 0.718 ( 13.936 -5.405 0.000) 14.947 1.122 ( 24.585 -7.027 0.000) 25.570 1.723 ( -0.879 -0.718 0.000) 1.135 1.933 ( -1.348 1.875 0.000) 2.309 2.532 ( -4.130 2.730 0.000) 4.951 3.289 ( 13.945 0.452 0.000) 13.953 3.487 ( 7.371 -0.658 0.000) 7.401 4.015 ( 6.604 -3.075 0.000) 7.285 5.545 ( -0.504 -6.170 0.000) 6.191 6.932 ( 4.913 13.176 0.000) 14.062 7.253 ( -3.559 -2.725 0.000) 4.483 23.976 ( -0.338 -0.266 0.000) 0.430 26.605 ( -0.958 -0.541 0.000) 1.100 27.606 ( 2.973 6.233 0.000) 6.906 31.848 ( -7.238 -0.829 0.000) 7.286 96.374 ( -0.114 0.067 0.000) 0.132 98.614 ( -4.921 -5.981 0.000) 7.745 ======================= Grid point 3 (4/258) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 11.836 -6.880 0.000) 13.690 0.995 ( 10.651 -4.997 0.000) 11.765 1.564 ( 12.116 -1.173 0.000) 12.172 1.763 ( 8.060 -5.885 0.000) 9.979 1.885 ( -1.947 2.276 0.000) 2.995 2.417 ( -5.390 2.901 0.000) 6.122 3.527 ( 9.825 -1.527 0.000) 9.943 3.648 ( 8.392 -0.572 0.000) 8.412 4.228 ( 11.847 -4.835 0.000) 12.795 5.595 ( 0.155 -8.048 0.000) 8.050 6.893 ( 1.296 14.007 0.000) 14.067 7.227 ( -0.646 -2.065 0.000) 2.164 23.971 ( -0.370 -0.335 0.000) 0.500 26.586 ( -1.274 -0.453 0.000) 1.352 27.616 ( 1.933 3.829 0.000) 4.289 31.693 ( -8.627 0.499 0.000) 8.641 96.372 ( -0.065 0.026 0.000) 0.070 98.560 ( -4.171 -3.533 0.000) 5.467 ======================= Grid point 4 (5/258) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 444 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 9.668 -3.841 0.000) 10.403 1.207 ( 7.807 -4.226 0.000) 8.877 1.611 ( -0.528 1.689 0.000) 1.769 1.823 ( -2.370 2.333 0.000) 3.326 2.108 ( 15.698 -6.415 0.000) 16.958 2.290 ( -5.657 1.680 0.000) 5.902 3.698 ( 5.998 -3.842 0.000) 7.123 3.805 ( 7.134 -0.281 0.000) 7.140 4.504 ( 12.116 -3.932 0.000) 12.738 5.667 ( 0.776 -8.138 0.000) 8.175 6.784 ( -1.450 13.123 0.000) 13.203 7.251 ( 1.254 -1.530 0.000) 1.978 23.967 ( -0.300 -0.318 0.000) 0.437 26.564 ( -1.245 -0.242 0.000) 1.268 27.622 ( 1.161 2.418 0.000) 2.683 31.522 ( -7.933 1.134 0.000) 8.014 96.371 ( 0.001 -0.023 0.000) 0.023 98.511 ( -3.085 -2.158 0.000) 3.765 ======================= Grid point 5 (6/258) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 4.756 -2.493 0.000) 5.370 1.365 ( 5.550 -2.302 0.000) 6.008 1.584 ( -0.601 1.967 0.000) 2.057 1.763 ( -2.021 1.755 0.000) 2.676 2.184 ( -3.858 0.837 0.000) 3.948 2.390 ( 8.779 -3.840 0.000) 9.582 3.817 ( 3.200 -3.359 0.000) 4.639 3.917 ( 4.105 -0.026 0.000) 4.105 4.721 ( 7.237 -2.260 0.000) 7.581 5.736 ( 0.735 -5.531 0.000) 5.580 6.666 ( -1.644 8.590 0.000) 8.746 7.285 ( 1.073 -0.779 0.000) 1.326 23.965 ( -0.162 -0.197 0.000) 0.255 26.545 ( -0.776 -0.076 0.000) 0.780 27.625 ( 0.530 1.215 0.000) 1.325 31.387 ( -4.802 0.898 0.000) 4.886 96.372 ( 0.025 -0.032 0.000) 0.041 98.476 ( -1.635 -1.062 0.000) 1.950 ======================= Grid point 6 (7/258) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 -0.000 0.000) 0.000 1.432 ( 0.000 -0.000 0.000) 0.000 1.568 ( 0.000 -0.000 0.000) 0.000 1.733 ( 0.000 -0.000 0.000) 0.000 2.141 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 -0.000 0.000) 0.000 3.862 ( 0.000 -0.000 0.000) 0.000 3.958 ( 0.000 -0.000 0.000) 0.000 4.802 ( 0.000 -0.000 0.000) 0.000 5.766 ( 0.000 -0.000 0.000) 0.000 6.614 ( 0.000 -0.000 0.000) 0.000 7.298 ( 0.000 -0.000 0.000) 0.000 23.964 ( 0.000 -0.000 0.000) 0.000 26.537 ( 0.000 -0.000 0.000) 0.000 27.625 ( 0.000 -0.000 0.000) 0.000 31.335 ( 0.000 -0.000 0.000) 0.000 96.372 ( 0.000 -0.000 0.000) 0.000 98.464 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/258) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 14.792 -0.000 0.000) 14.792 0.676 ( 15.062 -0.000 0.000) 15.062 1.069 ( 26.315 -0.000 0.000) 26.315 1.715 ( -1.327 0.000 0.000) 1.327 1.947 ( -1.460 0.000 0.000) 1.460 2.556 ( -4.072 0.000 0.000) 4.072 3.292 ( 13.445 -0.000 0.000) 13.445 3.482 ( 7.448 -0.000 0.000) 7.448 3.991 ( 5.639 -0.000 0.000) 5.639 5.492 ( -0.677 0.000 0.000) 0.677 7.060 ( 3.104 -0.000 0.000) 3.104 7.212 ( -2.744 0.000 0.000) 2.744 23.974 ( -0.331 0.000 0.000) 0.331 26.600 ( -0.874 0.000 0.000) 0.874 27.660 ( 0.398 -0.000 0.000) 0.398 31.840 ( -6.413 0.000 0.000) 6.413 96.375 ( -0.131 0.000 0.000) 0.131 98.562 ( -2.365 0.000 0.000) 2.365 ======================= Grid point 15 (9/258) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 14.703 -3.016 0.000) 15.009 0.943 ( 11.714 -1.789 0.000) 11.849 1.553 ( 21.427 -0.305 0.000) 21.429 1.695 ( 0.175 -2.632 0.000) 2.638 1.907 ( -2.259 0.769 0.000) 2.387 2.455 ( -5.546 1.635 0.000) 5.782 3.509 ( 8.472 -0.705 0.000) 8.502 3.642 ( 8.579 -0.241 0.000) 8.583 4.181 ( 12.912 -1.547 0.000) 13.004 5.500 ( 0.058 -3.687 0.000) 3.687 7.073 ( 0.702 9.464 0.000) 9.490 7.179 ( -1.191 -4.630 0.000) 4.781 23.968 ( -0.349 -0.127 0.000) 0.372 26.582 ( -1.115 -0.169 0.000) 1.128 27.660 ( 0.455 1.699 0.000) 1.758 31.697 ( -8.140 0.094 0.000) 8.141 96.372 ( -0.096 0.016 0.000) 0.097 98.519 ( -2.726 -1.582 0.000) 3.151 ======================= Grid point 16 (10/258) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 11.816 -2.263 0.000) 12.030 1.156 ( 8.752 -2.440 0.000) 9.086 1.644 ( 0.123 2.339 0.000) 2.342 1.850 ( -2.811 1.190 0.000) 3.053 2.005 ( 16.348 -6.070 0.000) 17.438 2.329 ( -5.056 2.634 0.000) 5.701 3.654 ( 6.024 -2.040 0.000) 6.360 3.801 ( 7.333 -0.212 0.000) 7.336 4.463 ( 13.587 -1.725 0.000) 13.696 5.548 ( 0.897 -6.481 0.000) 6.543 6.961 ( -3.764 9.673 0.000) 10.380 7.222 ( 1.866 -2.330 0.000) 2.985 23.963 ( -0.255 -0.212 0.000) 0.331 26.561 ( -1.097 -0.149 0.000) 1.107 27.654 ( 0.173 1.609 0.000) 1.618 31.535 ( -7.907 0.597 0.000) 7.929 96.371 ( -0.016 -0.005 0.000) 0.017 98.483 ( -2.147 -1.433 0.000) 2.581 ======================= Grid point 17 (11/258) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 5.884 -1.699 0.000) 6.124 1.325 ( 5.558 -2.535 0.000) 6.108 1.639 ( 2.051 4.619 0.000) 5.054 1.785 ( -2.777 1.175 0.000) 3.016 2.164 ( -4.545 -3.285 0.000) 5.608 2.362 ( 10.463 0.087 0.000) 10.463 3.781 ( 5.660 -1.385 0.000) 5.827 3.917 ( 4.215 -0.084 0.000) 4.216 4.696 ( 8.770 -1.182 0.000) 8.850 5.624 ( 1.016 -7.993 0.000) 8.058 6.804 ( -4.838 8.764 0.000) 10.010 7.270 ( 1.593 -1.120 0.000) 1.947 23.961 ( -0.083 -0.216 0.000) 0.232 26.544 ( -0.703 -0.073 0.000) 0.707 27.642 ( -0.311 1.045 0.000) 1.090 31.399 ( -5.291 0.629 0.000) 5.328 96.372 ( 0.039 -0.018 0.000) 0.042 98.461 ( -0.858 -0.875 0.000) 1.226 ======================= Grid point 18 (12/258) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 1.343 -1.874 0.000) 2.306 1.396 ( 0.783 -1.574 0.000) 1.758 1.633 ( 1.312 6.894 0.000) 7.017 1.735 ( -1.506 0.297 0.000) 1.535 2.116 ( -1.641 -3.292 0.000) 3.678 2.502 ( 3.367 1.397 0.000) 3.646 3.876 ( 3.670 1.707 0.000) 4.048 3.959 ( 0.056 0.089 0.000) 0.105 4.806 ( 2.146 0.549 0.000) 2.215 5.699 ( 0.401 -7.840 0.000) 7.851 6.660 ( -4.158 5.263 0.000) 6.707 7.296 ( 0.463 -0.338 0.000) 0.573 23.963 ( 0.107 -0.111 0.000) 0.154 26.537 ( 0.030 -0.024 0.000) 0.039 27.626 ( -0.835 0.161 0.000) 0.851 31.335 ( -0.769 -0.017 0.000) 0.769 96.372 ( 0.033 0.005 0.000) 0.033 98.464 ( 0.757 -0.071 0.000) 0.761 ======================= Grid point 19 (13/258) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -4.208 0.139 0.000) 4.210 1.387 ( -2.363 1.901 0.000) 3.032 1.599 ( 0.380 4.081 0.000) 4.099 1.734 ( 0.744 -2.005 0.000) 2.138 2.146 ( 1.248 -3.914 0.000) 4.108 2.464 ( -4.382 5.474 0.000) 7.012 3.880 ( -0.984 4.875 0.000) 4.973 3.918 ( -4.043 0.084 0.000) 4.044 4.766 ( -4.496 3.849 0.000) 5.919 5.749 ( -0.271 -4.556 0.000) 4.564 6.582 ( -2.261 -1.850 0.000) 2.922 7.293 ( -0.700 0.346 0.000) 0.781 23.967 ( 0.272 0.082 0.000) 0.284 26.546 ( 0.861 0.048 0.000) 0.862 27.608 ( -1.411 -0.979 0.000) 1.717 31.373 ( 4.204 -0.938 0.000) 4.307 96.373 ( -0.006 0.041 0.000) 0.041 98.492 ( 2.428 0.922 0.000) 2.598 ======================= Grid point 20 (14/258) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -7.315 4.176 0.000) 8.423 1.277 ( -5.975 4.994 0.000) 7.787 1.599 ( 0.792 0.265 0.000) 0.835 1.781 ( 1.631 -3.325 0.000) 3.703 2.147 ( -8.829 -1.644 0.000) 8.980 2.323 ( 0.049 6.164 0.000) 6.164 3.764 ( -7.063 4.545 0.000) 8.399 3.810 ( -6.775 0.456 0.000) 6.791 4.586 ( -9.337 7.106 0.000) 11.734 5.751 ( -0.733 1.434 0.000) 1.610 6.601 ( -0.682 -9.812 0.000) 9.835 7.269 ( -1.132 0.856 0.000) 1.420 23.972 ( 0.387 0.284 0.000) 0.480 26.568 ( 1.447 0.253 0.000) 1.469 27.586 ( -2.177 -2.294 0.000) 3.163 31.502 ( 7.863 -1.438 0.000) 7.993 96.372 ( -0.017 0.043 0.000) 0.046 98.543 ( 4.018 2.066 0.000) 4.518 ======================= Grid point 21 (15/258) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -8.747 7.754 0.000) 11.690 1.088 ( -8.881 7.094 0.000) 11.367 1.585 ( -4.310 1.424 0.000) 4.539 1.837 ( 0.365 -2.852 0.000) 2.876 1.859 ( -12.273 5.080 0.000) 13.282 2.382 ( 4.693 -1.404 0.000) 4.899 3.551 ( -12.329 1.520 0.000) 12.423 3.658 ( -8.145 0.668 0.000) 8.173 4.327 ( -10.630 8.257 0.000) 13.460 5.707 ( -0.787 5.574 0.000) 5.629 6.678 ( -1.216 -13.522 0.000) 13.576 7.248 ( 0.156 0.914 0.000) 0.927 23.977 ( 0.427 0.423 0.000) 0.601 26.594 ( 1.549 0.596 0.000) 1.659 27.556 ( -3.375 -3.842 0.000) 5.114 31.681 ( 9.138 -1.082 0.000) 9.202 96.372 ( 0.025 -0.006 0.000) 0.025 98.615 ( 5.557 3.482 0.000) 6.558 ======================= Grid point 22 (16/258) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -9.634 10.806 0.000) 14.477 0.829 ( -11.453 9.039 0.000) 14.591 1.272 ( -18.942 12.516 0.000) 22.704 1.725 ( -1.148 -0.641 0.000) 1.315 1.891 ( 1.041 -3.661 0.000) 3.806 2.488 ( 4.191 -2.945 0.000) 5.123 3.277 ( -15.195 -1.169 0.000) 15.240 3.500 ( -7.116 1.032 0.000) 7.190 4.078 ( -9.601 5.052 0.000) 10.849 5.646 ( -0.704 6.370 0.000) 6.408 6.729 ( -4.059 -12.622 0.000) 13.258 7.276 ( 3.451 0.514 0.000) 3.489 23.982 ( 0.369 0.464 0.000) 0.593 26.616 ( 1.186 0.918 0.000) 1.499 27.508 ( -5.638 -5.996 0.000) 8.230 31.856 ( 8.228 0.049 0.000) 8.228 96.373 ( 0.082 -0.070 0.000) 0.108 98.707 ( 7.596 5.614 0.000) 9.446 ======================= Grid point 23 (17/258) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -12.236 11.033 0.000) 16.475 0.520 ( -11.707 12.071 0.000) 16.816 0.798 ( -15.134 21.034 0.000) 25.913 1.721 ( -0.993 -2.232 0.000) 2.443 1.933 ( 0.717 -3.060 0.000) 3.143 2.579 ( 2.969 -2.476 0.000) 3.866 3.020 ( -11.228 -1.933 0.000) 11.393 3.380 ( -4.120 1.191 0.000) 4.288 3.870 ( -11.626 -2.354 0.000) 11.862 5.586 ( -1.138 4.838 0.000) 4.970 6.701 ( -7.776 -9.772 0.000) 12.488 7.373 ( 6.947 0.925 0.000) 7.009 23.984 ( 0.219 0.415 0.000) 0.470 26.626 ( 0.585 1.002 0.000) 1.161 27.409 ( -11.197 -8.690 0.000) 14.173 31.993 ( 6.565 1.369 0.000) 6.706 96.376 ( 0.094 -0.095 0.000) 0.134 98.840 ( 12.554 8.475 0.000) 15.147 ======================= Grid point 24 (18/258) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( -0.000 13.280 0.000) 13.280 0.257 ( -0.000 17.153 0.000) 17.153 0.447 ( -0.000 29.246 0.000) 29.246 1.720 ( 0.000 -2.324 0.000) 2.324 1.962 ( 0.000 -2.196 0.000) 2.196 2.628 ( 0.000 -1.231 0.000) 1.231 2.919 ( 0.000 -1.801 0.000) 1.801 3.331 ( -0.000 0.940 0.000) 0.940 3.674 ( 0.000 -0.411 0.000) 0.411 5.536 ( -0.000 2.987 0.000) 2.987 6.599 ( 0.000 -0.222 0.000) 0.222 7.492 ( 0.000 -2.096 0.000) 2.096 23.984 ( -0.000 0.302 0.000) 0.302 26.624 ( -0.000 0.773 0.000) 0.773 27.219 ( -0.000 0.514 0.000) 0.514 32.082 ( 0.000 -0.652 0.000) 0.652 96.377 ( 0.000 -0.073 0.000) 0.073 99.051 ( 0.000 -0.855 0.000) 0.855 ======================= Grid point 27 (19/258) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 12.823 -0.000 0.000) 12.823 1.137 ( 8.962 -0.000 0.000) 8.962 1.666 ( 0.047 -0.000 0.000) 0.047 1.859 ( -2.964 0.000 0.000) 2.964 1.954 ( 17.145 -0.000 0.000) 17.145 2.352 ( -4.973 0.000 0.000) 4.973 3.638 ( 6.207 -0.000 0.000) 6.207 3.800 ( 7.397 -0.000 0.000) 7.397 4.450 ( 14.026 -0.000 0.000) 14.026 5.496 ( 0.984 -0.000 0.000) 0.984 7.044 ( -5.940 0.000 0.000) 5.940 7.196 ( 3.349 -0.000 0.000) 3.349 23.961 ( -0.242 0.000 0.000) 0.242 26.560 ( -1.043 0.000 0.000) 1.043 27.666 ( -0.255 0.000 0.000) 0.255 31.540 ( -7.876 0.000 0.000) 7.876 96.371 ( -0.025 0.000 0.000) 0.025 98.471 ( -1.735 0.000 0.000) 1.735 ======================= Grid point 28 (20/258) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 6.428 -0.470 0.000) 6.445 1.297 ( 5.556 -1.087 0.000) 5.661 1.699 ( 4.255 2.610 0.000) 4.992 1.798 ( -2.918 0.477 0.000) 2.957 2.112 ( -3.318 -2.488 0.000) 4.148 2.373 ( 9.075 0.716 0.000) 9.103 3.771 ( 7.344 -0.243 0.000) 7.348 3.915 ( 4.265 -0.076 0.000) 4.266 4.684 ( 9.519 -0.359 0.000) 9.525 5.531 ( 0.891 -3.552 0.000) 3.662 6.903 ( -6.812 3.667 0.000) 7.736 7.255 ( 2.256 -0.688 0.000) 2.359 23.959 ( -0.045 -0.094 0.000) 0.104 26.543 ( -0.662 -0.030 0.000) 0.662 27.654 ( -0.836 0.417 0.000) 0.934 31.405 ( -5.558 0.224 0.000) 5.563 96.371 ( 0.045 -0.005 0.000) 0.045 98.452 ( -0.365 -0.342 0.000) 0.501 ======================= Grid point 29 (21/258) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 444 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.157 -1.929 0.000) 1.936 1.393 ( 3.828 -0.063 0.000) 3.829 1.719 ( -1.461 1.841 0.000) 2.350 1.768 ( 1.688 6.114 0.000) 6.343 2.047 ( -3.620 -5.617 0.000) 6.682 2.527 ( 5.523 1.532 0.000) 5.731 3.906 ( 6.311 1.916 0.000) 6.595 3.960 ( 0.227 -0.044 0.000) 0.232 4.817 ( 4.373 0.806 0.000) 4.446 5.574 ( -0.750 -7.317 0.000) 7.355 6.739 ( -6.525 4.428 0.000) 7.886 7.290 ( 0.903 -0.396 0.000) 0.986 23.961 ( 0.185 -0.111 0.000) 0.216 26.537 ( 0.052 -0.024 0.000) 0.057 27.629 ( -1.449 0.160 0.000) 1.458 31.335 ( -1.331 -0.017 0.000) 1.331 96.373 ( 0.056 0.005 0.000) 0.057 98.463 ( 1.315 -0.071 0.000) 1.317 ======================= Grid point 30 (22/258) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -1.903 -1.559 0.000) 2.460 1.425 ( -0.005 2.508 0.000) 2.508 1.676 ( -1.305 2.990 0.000) 3.262 1.718 ( -1.296 2.538 0.000) 2.850 2.071 ( 0.220 -6.069 0.000) 6.073 2.542 ( -1.516 4.555 0.000) 4.800 3.919 ( -3.805 0.147 0.000) 3.808 3.954 ( -0.083 4.437 0.000) 4.438 4.839 ( 0.126 5.761 0.000) 5.762 5.615 ( -2.024 -11.639 0.000) 11.814 6.599 ( -4.812 2.933 0.000) 5.635 7.296 ( -0.400 0.038 0.000) 0.402 23.967 ( 0.381 -0.015 0.000) 0.382 26.546 ( 0.935 0.018 0.000) 0.935 27.596 ( -2.108 -0.573 0.000) 2.184 31.360 ( 3.661 -0.709 0.000) 3.729 96.373 ( 0.014 0.035 0.000) 0.037 98.503 ( 3.040 0.594 0.000) 3.097 ======================= Grid point 31 (23/258) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 444 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -4.346 2.500 0.000) 5.014 1.355 ( -3.877 5.364 0.000) 6.618 1.624 ( -0.632 2.983 0.000) 3.049 1.726 ( 0.493 -3.850 0.000) 3.881 2.095 ( -3.555 -4.542 0.000) 5.768 2.428 ( -3.986 6.810 0.000) 7.891 3.809 ( -7.351 0.780 0.000) 7.392 3.837 ( -8.290 3.458 0.000) 8.982 4.723 ( -5.554 11.227 0.000) 12.525 5.676 ( -0.921 -11.259 0.000) 11.297 6.520 ( -2.340 -1.014 0.000) 2.551 7.278 ( -1.101 0.390 0.000) 1.168 23.975 ( 0.501 0.172 0.000) 0.529 26.571 ( 1.650 0.196 0.000) 1.662 27.556 ( -2.913 -1.619 0.000) 3.333 31.481 ( 7.704 -1.335 0.000) 7.819 96.373 ( -0.027 0.048 0.000) 0.056 98.570 ( 4.652 1.486 0.000) 4.884 ======================= Grid point 32 (24/258) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -6.216 7.160 0.000) 9.481 1.201 ( -6.837 7.848 0.000) 10.408 1.604 ( -0.788 1.076 0.000) 1.334 1.773 ( 0.693 -4.989 0.000) 5.037 1.932 ( -12.776 3.750 0.000) 13.315 2.377 ( 1.826 0.609 0.000) 1.925 3.571 ( -15.058 1.144 0.000) 15.101 3.668 ( -7.921 0.595 0.000) 7.943 4.472 ( -11.047 10.882 0.000) 15.506 5.725 ( -0.313 -3.814 0.000) 3.827 6.524 ( -0.286 -6.058 0.000) 6.064 7.257 ( -0.377 0.312 0.000) 0.489 23.983 ( 0.520 0.375 0.000) 0.641 26.603 ( 1.868 0.573 0.000) 1.954 27.506 ( -4.064 -2.757 0.000) 4.911 31.662 ( 9.450 -1.381 0.000) 9.551 96.372 ( -0.015 0.016 0.000) 0.022 98.660 ( 6.159 2.441 0.000) 6.625 ======================= Grid point 33 (25/258) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 444 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -8.559 9.998 0.000) 13.161 0.978 ( -8.922 10.455 0.000) 13.745 1.474 ( -10.281 13.203 0.000) 16.734 1.704 ( -5.409 -1.691 0.000) 5.667 1.824 ( 0.568 -5.261 0.000) 5.291 2.444 ( 3.367 -2.995 0.000) 4.506 3.256 ( -16.724 -1.499 0.000) 16.791 3.517 ( -6.713 1.134 0.000) 6.808 4.158 ( -14.484 5.423 0.000) 15.466 5.717 ( -0.813 2.779 0.000) 2.896 6.577 ( -0.273 -7.386 0.000) 7.391 7.274 ( 2.323 -0.624 0.000) 2.406 23.989 ( 0.430 0.523 0.000) 0.677 26.631 ( 1.498 1.040 0.000) 1.824 27.436 ( -5.820 -3.617 0.000) 6.853 31.849 ( 8.642 -0.855 0.000) 8.684 96.372 ( 0.042 -0.051 0.000) 0.066 98.773 ( 7.745 3.169 0.000) 8.368 ======================= Grid point 34 (26/258) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -12.258 10.969 0.000) 16.449 0.717 ( -7.910 13.738 0.000) 15.852 1.138 ( -7.503 22.986 0.000) 24.179 1.667 ( -2.760 -4.859 0.000) 5.588 1.873 ( 0.468 -5.006 0.000) 5.028 2.535 ( 3.214 -3.512 0.000) 4.761 2.984 ( -11.970 -2.783 0.000) 12.289 3.402 ( -3.865 1.595 0.000) 4.181 3.848 ( -15.160 -0.847 0.000) 15.183 5.663 ( -1.292 5.433 0.000) 5.585 6.603 ( -1.683 -4.291 0.000) 4.609 7.358 ( 4.808 -2.289 0.000) 5.325 23.992 ( 0.246 0.575 0.000) 0.625 26.644 ( 0.756 1.357 0.000) 1.554 27.329 ( -7.593 -2.814 0.000) 8.098 31.997 ( 5.863 -0.524 0.000) 5.886 96.374 ( 0.075 -0.108 0.000) 0.132 98.915 ( 8.900 2.314 0.000) 9.196 ======================= Grid point 35 (27/258) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -0.000 13.198 0.000) 13.198 0.510 ( -0.000 16.516 0.000) 16.516 0.874 ( -0.000 27.455 0.000) 27.455 1.668 ( 0.000 -4.584 0.000) 4.584 1.913 ( 0.000 -4.288 0.000) 4.288 2.599 ( 0.000 -2.696 0.000) 2.696 2.881 ( 0.000 -3.132 0.000) 3.132 3.351 ( -0.000 1.624 0.000) 1.624 3.665 ( 0.000 -0.722 0.000) 0.722 5.602 ( -0.000 5.631 0.000) 5.631 6.592 ( 0.000 -0.693 0.000) 0.693 7.447 ( 0.000 -3.779 0.000) 3.779 23.990 ( -0.000 0.529 0.000) 0.529 26.640 ( -0.000 1.339 0.000) 1.339 27.230 ( -0.000 0.889 0.000) 0.889 32.068 ( 0.000 -1.134 0.000) 1.134 96.376 ( 0.000 -0.122 0.000) 0.122 99.033 ( 0.000 -1.485 0.000) 1.485 ======================= Grid point 40 (28/258) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.231 -0.000 0.000) 0.231 1.393 ( 4.433 -0.000 0.000) 4.433 1.726 ( -2.953 0.000 0.000) 2.953 1.842 ( 6.233 -0.000 0.000) 6.233 1.983 ( -7.207 0.000 0.000) 7.207 2.540 ( 6.194 -0.000 0.000) 6.194 3.923 ( 7.455 -0.000 0.000) 7.455 3.958 ( 0.144 -0.000 0.000) 0.144 4.824 ( 5.562 -0.000 0.000) 5.562 5.514 ( -1.696 0.000 0.000) 1.696 6.775 ( -7.293 0.000 0.000) 7.293 7.286 ( 1.115 -0.000 0.000) 1.115 23.960 ( 0.213 -0.000 0.000) 0.213 26.537 ( 0.060 -0.000 0.000) 0.060 27.630 ( -1.675 0.000 0.000) 1.675 31.335 ( -1.536 0.000 0.000) 1.536 96.373 ( 0.065 -0.000 0.000) 0.065 98.462 ( 1.521 -0.000 0.000) 1.521 ======================= Grid point 41 (29/258) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.866 -0.637 0.000) 1.075 1.454 ( 1.920 1.108 0.000) 2.217 1.671 ( -2.587 -0.783 0.000) 2.703 1.816 ( -4.271 6.851 0.000) 8.073 1.972 ( 1.557 -6.351 0.000) 6.539 2.591 ( -0.288 1.779 0.000) 1.803 3.921 ( -3.857 0.072 0.000) 3.858 4.003 ( 0.068 1.783 0.000) 1.784 4.923 ( 6.282 4.248 0.000) 7.584 5.457 ( -6.446 -7.186 0.000) 9.654 6.638 ( -5.772 1.661 0.000) 6.006 7.295 ( -0.207 -0.035 0.000) 0.210 23.967 ( 0.451 -0.021 0.000) 0.451 26.546 ( 0.978 0.003 0.000) 0.978 27.591 ( -2.486 -0.180 0.000) 2.493 31.353 ( 3.339 -0.264 0.000) 3.349 96.374 ( 0.025 0.014 0.000) 0.029 98.509 ( 3.366 0.201 0.000) 3.372 ======================= Grid point 42 (30/258) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -1.638 0.713 0.000) 1.787 1.434 ( -1.810 4.798 0.000) 5.129 1.650 ( -1.178 -2.488 0.000) 2.753 1.699 ( -3.153 2.905 0.000) 4.288 2.023 ( -1.016 -4.577 0.000) 4.688 2.511 ( -5.002 3.976 0.000) 6.390 3.815 ( -6.733 0.268 0.000) 6.738 3.880 ( -10.737 2.001 0.000) 10.922 4.922 ( -1.752 15.217 0.000) 15.317 5.449 ( -1.883 -17.615 0.000) 17.715 6.537 ( -3.185 1.950 0.000) 3.735 7.281 ( -1.091 0.108 0.000) 1.096 23.977 ( 0.601 0.067 0.000) 0.604 26.573 ( 1.801 0.104 0.000) 1.804 27.538 ( -3.325 -0.797 0.000) 3.419 31.464 ( 7.548 -0.803 0.000) 7.591 96.373 ( -0.032 0.032 0.000) 0.046 98.587 ( 4.977 0.749 0.000) 5.033 ======================= Grid point 43 (31/258) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -3.652 5.063 0.000) 6.243 1.320 ( -4.814 7.861 0.000) 9.218 1.617 ( -1.767 0.625 0.000) 1.874 1.691 ( -0.465 -5.784 0.000) 5.802 1.968 ( -7.013 1.273 0.000) 7.127 2.394 ( -3.085 1.419 0.000) 3.395 3.585 ( -17.196 0.711 0.000) 17.210 3.675 ( -7.630 0.383 0.000) 7.640 4.642 ( -14.949 11.191 0.000) 18.673 5.606 ( 4.761 -10.562 0.000) 11.586 6.490 ( -0.656 0.404 0.000) 0.770 7.259 ( -0.856 -0.007 0.000) 0.856 23.988 ( 0.623 0.242 0.000) 0.668 26.611 ( 2.147 0.406 0.000) 2.185 27.474 ( -4.227 -1.528 0.000) 4.495 31.642 ( 9.600 -1.141 0.000) 9.668 96.372 ( -0.048 0.021 0.000) 0.052 98.688 ( 6.222 1.324 0.000) 6.362 ======================= Grid point 44 (32/258) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -7.223 9.056 0.000) 11.584 1.137 ( -6.579 10.651 0.000) 12.519 1.587 ( -1.896 -0.874 0.000) 2.088 1.725 ( -3.588 -2.350 0.000) 4.289 1.752 ( -6.687 5.046 0.000) 8.377 2.393 ( 1.273 -3.830 0.000) 4.036 3.235 ( -18.181 -1.284 0.000) 18.226 3.533 ( -6.287 0.986 0.000) 6.364 4.232 ( -20.305 4.203 0.000) 20.735 5.733 ( 3.526 -0.257 0.000) 3.535 6.506 ( 1.234 -2.440 0.000) 2.734 7.261 ( 0.970 -0.989 0.000) 1.385 23.997 ( 0.509 0.436 0.000) 0.670 26.646 ( 1.818 0.888 0.000) 2.023 27.396 ( -5.092 -1.775 0.000) 5.392 31.834 ( 8.828 -1.101 0.000) 8.897 96.372 ( -0.005 -0.031 0.000) 0.031 98.806 ( 6.926 1.380 0.000) 7.062 ======================= Grid point 45 (33/258) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -10.757 11.340 0.000) 15.630 0.923 ( -5.552 13.536 0.000) 14.631 1.468 ( -3.344 20.689 0.000) 20.957 1.578 ( -4.279 -6.899 0.000) 8.119 1.784 ( 0.076 -6.668 0.000) 6.669 2.471 ( 2.696 -5.138 0.000) 5.803 2.941 ( -12.816 -2.908 0.000) 13.142 3.426 ( -3.547 1.592 0.000) 3.888 3.839 ( -17.336 -0.473 0.000) 17.343 5.750 ( 0.949 6.041 0.000) 6.115 6.552 ( 0.939 -2.839 0.000) 2.990 7.316 ( 2.794 -3.104 0.000) 4.177 24.001 ( 0.283 0.575 0.000) 0.641 26.665 ( 0.967 1.353 0.000) 1.663 27.306 ( -4.905 -0.679 0.000) 4.952 31.984 ( 5.496 -1.075 0.000) 5.601 96.372 ( 0.038 -0.099 0.000) 0.106 98.930 ( 6.086 0.103 0.000) 6.087 ======================= Grid point 46 (34/258) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -0.000 13.022 0.000) 13.022 0.751 ( -0.000 15.533 0.000) 15.533 1.265 ( -0.000 24.557 0.000) 24.557 1.583 ( 0.000 -6.700 0.000) 6.700 1.834 ( 0.000 -6.176 0.000) 6.176 2.545 ( 0.000 -4.536 0.000) 4.536 2.829 ( 0.000 -3.638 0.000) 3.638 3.378 ( -0.000 1.878 0.000) 1.878 3.653 ( 0.000 -0.847 0.000) 0.847 5.702 ( -0.000 7.497 0.000) 7.497 6.576 ( 0.000 -1.565 0.000) 1.565 7.383 ( 0.000 -4.597 0.000) 4.597 23.999 ( -0.000 0.618 0.000) 0.618 26.663 ( -0.000 1.547 0.000) 1.547 27.245 ( -0.000 1.024 0.000) 1.024 32.049 ( 0.000 -1.316 0.000) 1.316 96.374 ( 0.000 -0.136 0.000) 0.136 99.008 ( 0.000 -1.720 0.000) 1.720 ======================= Grid point 53 (35/258) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -0.683 0.000 0.000) 0.683 1.478 ( -0.165 0.000 0.000) 0.165 1.617 ( -2.350 0.000 0.000) 2.350 1.735 ( -5.307 0.000 0.000) 5.307 1.981 ( 0.637 -0.000 0.000) 0.637 2.542 ( -5.273 0.000 0.000) 5.273 3.817 ( -6.598 0.000 0.000) 6.598 3.895 ( -11.594 0.000 0.000) 11.594 5.151 ( 13.669 -0.000 0.000) 13.669 5.199 ( -16.252 0.000 0.000) 16.252 6.554 ( -3.443 0.000 0.000) 3.443 7.282 ( -1.087 0.000 0.000) 1.087 23.978 ( 0.641 -0.000 0.000) 0.641 26.574 ( 1.856 -0.000 0.000) 1.856 27.532 ( -3.455 0.000 0.000) 3.455 31.458 ( 7.484 -0.000 0.000) 7.484 96.374 ( -0.034 0.000 0.000) 0.034 98.593 ( 5.072 -0.000 0.000) 5.072 ======================= Grid point 55 (36/258) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -1.355 1.818 0.000) 2.268 1.427 ( -3.060 5.572 0.000) 6.357 1.597 ( -1.500 -4.269 0.000) 4.525 1.632 ( -5.094 -0.260 0.000) 5.101 1.977 ( -1.507 0.121 0.000) 1.512 2.412 ( -6.698 0.693 0.000) 6.734 3.592 ( -18.400 0.250 0.000) 18.402 3.679 ( -7.322 0.123 0.000) 7.323 4.781 ( -22.291 5.903 0.000) 23.059 5.464 ( 13.278 -6.299 0.000) 14.696 6.504 ( -1.433 0.824 0.000) 1.653 7.258 ( -1.146 -0.049 0.000) 1.147 23.991 ( 0.692 0.081 0.000) 0.697 26.615 ( 2.311 0.146 0.000) 2.315 27.459 ( -4.219 -0.476 0.000) 4.245 31.630 ( 9.659 -0.439 0.000) 9.669 96.372 ( -0.066 0.009 0.000) 0.067 98.701 ( 6.145 0.408 0.000) 6.159 ======================= Grid point 56 (37/258) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 444 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -4.688 7.119 0.000) 8.524 1.290 ( -4.843 9.363 0.000) 10.542 1.531 ( -6.535 -4.703 0.000) 8.052 1.625 ( -0.913 -7.197 0.000) 7.255 1.898 ( -3.153 8.829 0.000) 9.375 2.332 ( -1.977 -4.080 0.000) 4.533 3.220 ( -19.246 -0.711 0.000) 19.259 3.545 ( -5.969 0.581 0.000) 5.997 4.280 ( -25.133 2.141 0.000) 25.224 5.722 ( 9.761 -0.803 0.000) 9.794 6.489 ( 0.159 -0.269 0.000) 0.312 7.247 ( -0.053 -0.716 0.000) 0.718 24.002 ( 0.579 0.243 0.000) 0.628 26.656 ( 2.057 0.508 0.000) 2.119 27.378 ( -4.463 -0.684 0.000) 4.515 31.819 ( 8.943 -0.724 0.000) 8.973 96.371 ( -0.042 -0.014 0.000) 0.044 98.819 ( 6.207 0.456 0.000) 6.224 ======================= Grid point 57 (38/258) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -9.099 11.285 0.000) 14.496 1.118 ( -4.077 12.166 0.000) 12.831 1.460 ( -5.441 -8.633 0.000) 10.205 1.669 ( -0.363 -6.991 0.000) 7.000 1.759 ( -0.741 16.050 0.000) 16.067 2.380 ( 1.706 -6.962 0.000) 7.168 2.901 ( -13.615 -2.203 0.000) 13.792 3.448 ( -3.272 1.178 0.000) 3.477 3.833 ( -18.642 -0.378 0.000) 18.646 5.837 ( 4.048 5.340 0.000) 6.701 6.513 ( 0.966 -2.385 0.000) 2.574 7.272 ( 1.239 -2.508 0.000) 2.797 24.008 ( 0.324 0.421 0.000) 0.531 26.683 ( 1.155 0.989 0.000) 1.521 27.302 ( -3.484 -0.019 0.000) 3.484 31.968 ( 5.416 -0.911 0.000) 5.492 96.371 ( 0.002 -0.068 0.000) 0.068 98.926 ( 4.564 -0.420 0.000) 4.583 ======================= Grid point 58 (39/258) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.000 12.670 0.000) 12.670 0.974 ( -0.000 14.050 0.000) 14.050 1.468 ( 0.000 -8.549 0.000) 8.549 1.605 ( -0.000 20.283 0.000) 20.283 1.731 ( 0.000 -7.207 0.000) 7.207 2.461 ( 0.000 -6.734 0.000) 6.734 2.776 ( 0.000 -3.170 0.000) 3.170 3.405 ( -0.000 1.636 0.000) 1.636 3.641 ( 0.000 -0.743 0.000) 0.743 5.820 ( -0.000 7.925 0.000) 7.925 6.544 ( 0.000 -2.618 0.000) 2.618 7.316 ( 0.000 -4.157 0.000) 4.157 24.008 ( -0.000 0.542 0.000) 0.542 26.685 ( -0.000 1.341 0.000) 1.341 27.259 ( -0.000 0.884 0.000) 0.884 32.030 ( 0.000 -1.146 0.000) 1.146 96.372 ( 0.000 -0.112 0.000) 0.112 98.983 ( 0.000 -1.494 0.000) 1.494 ======================= Grid point 67 (40/258) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -1.926 0.000 0.000) 1.926 1.382 ( -4.198 0.000 0.000) 4.198 1.484 ( -9.961 0.000 0.000) 9.961 1.549 ( -1.156 0.000 0.000) 1.156 1.972 ( 0.556 -0.000 0.000) 0.556 2.294 ( -4.587 0.000 0.000) 4.587 3.214 ( -19.639 0.000 0.000) 19.639 3.550 ( -5.851 0.000 0.000) 5.851 4.296 ( -27.000 0.000 0.000) 27.000 5.715 ( 12.552 -0.000 0.000) 12.552 6.488 ( -0.606 0.000 0.000) 0.606 7.242 ( -0.427 0.000 0.000) 0.427 24.004 ( 0.607 -0.000 0.000) 0.607 26.660 ( 2.146 -0.000 0.000) 2.146 27.374 ( -4.236 0.000 0.000) 4.236 31.814 ( 8.986 -0.000 0.000) 8.986 96.371 ( -0.056 0.000 0.000) 0.056 98.822 ( 5.943 -0.000 0.000) 5.943 ======================= Grid point 69 (41/258) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -7.118 10.713 0.000) 12.862 1.274 ( -3.376 7.278 0.000) 8.023 1.321 ( -7.277 -9.686 0.000) 12.115 1.558 ( -0.596 -5.963 0.000) 5.992 1.966 ( 1.771 9.569 0.000) 9.731 2.273 ( 0.033 -6.150 0.000) 6.150 2.878 ( -14.115 -0.821 0.000) 14.139 3.460 ( -3.116 0.435 0.000) 3.146 3.829 ( -19.202 -0.159 0.000) 19.203 5.898 ( 6.483 2.273 0.000) 6.869 6.485 ( 0.006 -1.101 0.000) 1.101 7.245 ( 0.400 -0.952 0.000) 1.032 24.013 ( 0.352 0.154 0.000) 0.384 26.693 ( 1.266 0.362 0.000) 1.317 27.302 ( -2.879 0.049 0.000) 2.880 31.958 ( 5.424 -0.348 0.000) 5.435 96.370 ( -0.020 -0.024 0.000) 0.031 98.921 ( 3.902 -0.212 0.000) 3.908 ======================= Grid point 70 (42/258) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.000 11.839 0.000) 11.839 1.167 ( -0.000 11.177 0.000) 11.177 1.329 ( 0.000 -9.815 0.000) 9.815 1.606 ( 0.000 -7.916 0.000) 7.916 1.887 ( -0.000 15.823 0.000) 15.823 2.343 ( 0.000 -8.644 0.000) 8.644 2.738 ( 0.000 -1.838 0.000) 1.838 3.425 ( -0.000 0.952 0.000) 0.952 3.632 ( 0.000 -0.433 0.000) 0.433 5.927 ( -0.000 5.752 0.000) 5.752 6.502 ( 0.000 -2.645 0.000) 2.645 7.265 ( 0.000 -2.448 0.000) 2.448 24.014 ( -0.000 0.316 0.000) 0.316 26.701 ( -0.000 0.775 0.000) 0.775 27.270 ( -0.000 0.509 0.000) 0.509 32.016 ( 0.000 -0.664 0.000) 0.664 96.371 ( 0.000 -0.063 0.000) 0.063 98.965 ( 0.000 -0.865 0.000) 0.865 ======================= Grid point 82 (43/258) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.000 0.000 0.000) 0.000 1.208 ( 0.000 -0.000 0.000) 0.000 1.270 ( -0.000 0.000 0.000) 0.000 1.527 ( 0.000 -0.000 0.000) 0.000 2.040 ( -0.000 0.000 0.000) 0.000 2.245 ( -0.000 0.000 0.000) 0.000 2.724 ( -0.000 0.000 0.000) 0.000 3.432 ( -0.000 0.000 0.000) 0.000 3.628 ( -0.000 0.000 0.000) 0.000 5.973 ( -0.000 0.000 0.000) 0.000 6.479 ( -0.000 0.000 0.000) 0.000 7.246 ( -0.000 0.000 0.000) 0.000 24.017 ( -0.000 0.000 0.000) 0.000 26.707 ( -0.000 0.000 0.000) 0.000 27.274 ( -0.000 0.000 0.000) 0.000 32.011 ( -0.000 0.000 0.000) 0.000 96.370 ( -0.000 0.000 0.000) 0.000 98.959 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/258) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 0.000 0.000 16.603) 16.603 0.378 ( 0.000 0.000 18.555) 18.555 0.549 ( 0.000 0.000 25.744) 25.744 1.737 ( 0.000 0.000 -0.149) 0.149 1.989 ( 0.000 0.000 1.352) 1.352 2.614 ( 0.000 0.000 -2.487) 2.487 2.990 ( 0.000 0.000 5.462) 5.462 3.710 ( 0.000 0.000 3.083) 3.083 3.834 ( 0.000 0.000 -7.940) 7.940 5.282 ( 0.000 0.000 0.367) 0.367 7.072 ( 0.000 0.000 6.933) 6.933 7.096 ( 0.000 0.000 -0.829) 0.829 24.375 ( 0.000 0.000 14.067) 14.067 26.621 ( 0.000 0.000 0.277) 0.277 27.199 ( 0.000 0.000 -1.603) 1.603 31.801 ( 0.000 0.000 -16.325) 16.325 97.273 ( 0.000 0.000 1.799) 1.799 98.575 ( 0.000 0.000 -3.692) 3.692 ======================= Grid point 152 (45/258) ======================= q-point: ( 0.08 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 9.539 -1.734 7.584) 12.309 0.486 ( 7.683 -6.441 13.634) 16.924 0.861 ( 18.765 -6.879 18.790) 27.432 1.728 ( -0.711 0.364 -0.549) 0.970 1.982 ( -0.420 0.965 1.670) 1.974 2.586 ( -2.160 1.501 -2.346) 3.524 3.094 ( 10.406 0.727 5.077) 11.601 3.585 ( -4.064 1.533 11.513) 12.305 3.843 ( 2.137 0.063 -7.033) 7.351 5.431 ( 6.930 -1.755 -4.998) 8.723 6.876 ( 5.658 28.492 -0.534) 29.053 7.307 ( -4.665 -24.484 1.123) 24.949 24.245 ( -5.740 1.808 19.979) 20.866 26.621 ( -0.184 -0.365 0.555) 0.689 27.400 ( 11.675 3.321 -10.326) 15.936 31.774 ( -3.741 -1.552 -16.599) 17.086 96.828 ( -18.941 8.974 23.041) 31.148 98.595 ( -3.246 -8.107 -4.924) 10.025 ======================= Grid point 153 (46/258) ======================= q-point: ( 0.17 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 14.557 -4.747 -1.448) 15.380 0.725 ( 10.847 -7.762 7.578) 15.341 1.286 ( 19.358 -6.549 12.641) 24.030 1.707 ( -1.305 -0.314 -1.368) 1.917 1.958 ( -0.793 2.088 2.311) 3.214 2.511 ( -3.905 2.444 -1.954) 5.003 3.337 ( 13.693 0.650 4.428) 14.406 3.581 ( 3.100 0.124 6.880) 7.547 3.928 ( 5.825 -3.680 -7.711) 10.341 5.538 ( 2.931 -3.894 -0.874) 4.951 6.807 ( 4.437 19.135 -7.799) 21.135 7.325 ( -5.862 -11.613 4.175) 13.662 24.169 ( -2.056 0.415 17.612) 17.736 26.619 ( -0.365 -0.562 1.387) 1.540 27.529 ( 5.664 3.982 -6.029) 9.181 31.679 ( -6.708 -0.471 -16.114) 17.461 96.571 ( -5.874 2.707 15.731) 17.009 98.571 ( -3.999 -5.007 -4.014) 7.561 ======================= Grid point 154 (47/258) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 11.727 -4.253 -0.465) 12.483 0.998 ( 11.095 -6.258 3.190) 13.131 1.628 ( 4.926 -0.586 4.154) 6.471 1.742 ( 9.943 -4.635 -0.076) 10.971 1.930 ( 0.338 1.123 3.592) 3.779 2.403 ( -5.129 2.524 -1.246) 5.851 3.564 ( 9.092 -1.295 3.407) 9.795 3.670 ( 5.272 -0.619 1.454) 5.504 4.135 ( 11.895 -4.451 -8.429) 15.243 5.624 ( 2.438 -5.796 2.231) 6.672 6.734 ( 0.973 14.993 -12.017) 19.239 7.291 ( -3.907 -5.627 3.585) 7.732 24.139 ( -1.050 -0.001 15.875) 15.910 26.615 ( -0.485 -0.536 2.701) 2.796 27.587 ( 3.378 3.163 -2.478) 5.250 31.531 ( -8.190 0.597 -15.446) 17.493 96.490 ( -2.040 0.955 10.485) 10.724 98.526 ( -3.652 -3.144 -3.301) 5.841 ======================= Grid point 155 (48/258) ======================= q-point: ( 0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 8.512 -2.854 -0.900) 9.022 1.229 ( 8.674 -3.715 2.313) 9.715 1.629 ( -0.919 -0.466 0.949) 1.401 1.835 ( -0.722 3.468 1.638) 3.903 2.126 ( 13.263 -6.285 1.639) 14.768 2.283 ( -5.298 1.892 -0.548) 5.652 3.718 ( 5.541 -3.037 1.186) 6.429 3.776 ( 4.577 -1.224 -2.141) 5.199 4.412 ( 12.504 -3.254 -8.489) 15.460 5.718 ( 2.493 -6.170 4.328) 7.938 6.621 ( -1.889 12.031 -14.069) 18.608 7.267 ( -1.761 -2.635 0.477) 3.205 24.124 ( -0.627 -0.121 14.953) 14.967 26.609 ( -0.467 -0.367 4.230) 4.271 27.618 ( 2.024 2.259 -0.350) 3.053 31.368 ( -7.564 1.130 -14.742) 16.608 96.460 ( -0.773 0.379 8.177) 8.223 98.482 ( -2.736 -1.961 -2.742) 4.341 ======================= Grid point 156 (49/258) ======================= q-point: ( 0.42 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 4.053 -1.938 -1.911) 4.882 1.380 ( 5.122 -0.488 0.988) 5.239 1.632 ( 0.476 -2.033 3.496) 4.072 1.782 ( -1.530 3.674 2.112) 4.506 2.180 ( -4.057 0.202 -0.467) 4.088 2.379 ( 8.147 -3.191 -0.869) 8.793 3.826 ( 3.474 -1.964 -1.755) 4.360 3.854 ( 2.199 -1.521 -3.114) 4.104 4.631 ( 7.540 -1.813 -8.400) 11.432 5.803 ( 1.794 -4.376 5.856) 7.527 6.501 ( -2.222 7.574 -15.183) 17.113 7.259 ( -0.600 -1.038 -2.718) 2.971 24.116 ( -0.305 -0.100 14.477) 14.480 26.603 ( -0.286 -0.171 5.493) 5.503 27.633 ( 0.945 1.211 0.794) 1.729 31.239 ( -4.584 0.870 -14.183) 14.930 96.449 ( -0.262 0.136 7.191) 7.197 98.452 ( -1.450 -0.974 -2.363) 2.938 ======================= Grid point 157 (50/258) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 -0.000 -2.665) 2.665 1.431 ( 0.000 -0.000 0.078) 0.078 1.659 ( 0.000 -0.000 6.940) 6.940 1.742 ( 0.000 -0.000 0.641) 0.641 2.137 ( 0.000 0.000 -0.411) 0.411 2.472 ( 0.000 -0.000 -1.681) 1.681 3.872 ( 0.000 -0.000 -7.702) 7.702 3.879 ( 0.000 -0.000 1.447) 1.447 4.713 ( 0.000 -0.000 -8.335) 8.335 5.839 ( 0.000 -0.000 6.578) 6.578 6.446 ( 0.000 -0.000 -15.730) 15.730 7.257 ( 0.000 -0.000 -4.018) 4.018 24.114 ( 0.000 -0.000 14.326) 14.326 26.601 ( 0.000 -0.000 5.988) 5.988 27.638 ( 0.000 -0.000 1.153) 1.153 31.189 ( 0.000 -0.000 -13.968) 13.968 96.446 ( 0.000 -0.000 6.910) 6.910 98.441 ( 0.000 -0.000 -2.227) 2.227 ======================= Grid point 165 (51/258) ======================= q-point: ( 0.08 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 15.671 -0.000 -1.471) 15.739 0.651 ( 11.807 -0.000 10.016) 15.483 1.236 ( 20.946 -0.000 12.761) 24.527 1.703 ( -1.753 0.000 -1.083) 2.061 1.974 ( -0.915 0.000 2.464) 2.628 2.532 ( -3.938 0.000 -2.228) 4.525 3.341 ( 13.202 -0.000 4.566) 13.969 3.583 ( 2.639 -0.000 7.338) 7.798 3.899 ( 5.563 -0.000 -8.096) 9.823 5.503 ( 2.290 -0.000 0.830) 2.436 7.086 ( -3.253 0.000 -10.143) 10.651 7.110 ( 1.779 -0.000 4.384) 4.731 24.172 ( -2.426 0.000 17.958) 18.121 26.615 ( -0.297 0.000 1.374) 1.405 27.563 ( 4.770 -0.000 -7.417) 8.818 31.674 ( -6.163 0.000 -15.837) 16.994 96.595 ( -7.665 0.000 16.995) 18.643 98.528 ( -2.142 0.000 -3.246) 3.889 ======================= Grid point 166 (52/258) ======================= q-point: ( 0.17 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 13.288 -0.724 2.417) 13.525 0.922 ( 12.976 -3.416 1.804) 13.539 1.629 ( 14.022 0.638 5.614) 15.118 1.678 ( 3.379 -3.112 -0.497) 4.620 1.946 ( -1.521 0.662 3.341) 3.730 2.436 ( -5.301 1.383 -1.787) 5.762 3.550 ( 7.843 -0.555 3.657) 8.671 3.663 ( 4.989 -0.263 1.357) 5.177 4.092 ( 13.290 -1.368 -7.955) 15.549 5.550 ( 1.740 -3.027 4.388) 5.607 6.947 ( -2.852 11.641 -11.909) 16.896 7.185 ( -0.470 -7.613 0.981) 7.691 24.140 ( -1.185 0.003 16.171) 16.214 26.609 ( -0.348 -0.199 2.626) 2.657 27.623 ( 2.472 1.364 -3.133) 4.218 31.536 ( -7.807 0.150 -15.332) 17.206 96.501 ( -2.696 0.424 11.290) 11.616 98.489 ( -2.436 -1.391 -2.876) 4.017 ======================= Grid point 167 (53/258) ======================= q-point: ( 0.25 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 9.829 -0.861 -0.047) 9.867 1.177 ( 10.697 -2.924 2.992) 11.486 1.629 ( -1.063 0.273 -1.351) 1.741 1.882 ( -0.238 2.862 3.043) 4.184 2.031 ( 12.995 -5.706 2.373) 14.389 2.319 ( -4.737 2.193 -1.035) 5.322 3.681 ( 5.634 -1.697 2.405) 6.357 3.763 ( 4.698 -0.567 -3.480) 5.874 4.379 ( 13.851 -1.335 -7.706) 15.907 5.618 ( 1.804 -5.793 6.245) 8.707 6.796 ( -4.339 10.034 -14.946) 18.517 7.219 ( -0.061 -3.461 -0.798) 3.553 24.122 ( -0.669 -0.097 15.164) 15.179 26.604 ( -0.315 -0.220 4.098) 4.116 27.647 ( 1.238 1.477 -0.545) 2.003 31.381 ( -7.577 0.604 -14.738) 16.583 96.465 ( -1.034 0.254 8.609) 8.674 98.457 ( -1.903 -1.297 -2.500) 3.398 ======================= Grid point 168 (54/258) ======================= q-point: ( 0.33 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 5.309 -0.325 -0.618) 5.355 1.361 ( 6.018 -1.959 2.325) 6.742 1.621 ( 0.613 0.360 -1.055) 1.272 1.838 ( -1.085 3.676 4.311) 5.768 2.158 ( -4.200 -2.911 -0.469) 5.131 2.352 ( 9.207 -0.408 -0.898) 9.260 3.800 ( 5.319 -1.048 1.158) 5.543 3.843 ( 2.965 -0.475 -6.115) 6.813 4.611 ( 8.772 -0.891 -7.874) 11.821 5.698 ( 0.846 -7.837 6.545) 10.246 6.637 ( -4.354 9.029 -15.548) 18.499 7.239 ( 0.260 -1.495 -3.123) 3.472 24.114 ( -0.297 -0.145 14.593) 14.596 26.601 ( -0.162 -0.143 5.380) 5.385 27.651 ( 0.146 1.030 0.782) 1.301 31.250 ( -5.066 0.612 -14.214) 15.102 96.451 ( -0.385 0.114 7.393) 7.404 98.438 ( -0.742 -0.801 -2.244) 2.496 ======================= Grid point 169 (55/258) ======================= q-point: ( 0.42 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 1.443 0.166 -1.674) 2.216 1.429 ( -0.009 -0.370 1.041) 1.105 1.647 ( 1.812 -0.883 1.359) 2.431 1.782 ( -1.688 4.572 4.089) 6.362 2.118 ( -0.953 -2.613 0.103) 2.783 2.478 ( 2.796 0.789 -2.169) 3.625 3.867 ( 0.402 -0.143 -6.685) 6.698 3.898 ( 3.384 1.903 0.409) 3.904 4.717 ( 1.724 0.455 -8.400) 8.587 5.759 ( -1.223 -8.998 4.965) 10.350 6.508 ( -2.415 6.751 -13.898) 15.638 7.254 ( 0.557 -0.424 -4.068) 4.128 24.113 ( 0.036 -0.110 14.327) 14.327 26.601 ( 0.110 -0.026 5.986) 5.987 27.639 ( -0.853 0.157 1.151) 1.441 31.189 ( -0.740 -0.016 -13.967) 13.986 96.446 ( -0.085 0.009 6.912) 6.913 98.441 ( 0.697 -0.063 -2.221) 2.329 ======================= Grid point 170 (56/258) ======================= q-point: (-0.50 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -2.008 2.591 -2.452) 4.094 1.381 ( -4.078 0.108 0.684) 4.136 1.676 ( -0.146 2.571 5.413) 5.995 1.734 ( 0.075 -1.702 0.548) 1.790 2.157 ( 2.273 -2.727 0.802) 3.640 2.439 ( -4.625 4.416 -2.181) 6.757 3.842 ( -2.736 0.418 -6.177) 6.769 3.904 ( -0.541 4.653 1.452) 4.904 4.668 ( -5.208 3.206 -9.192) 11.041 5.781 ( -3.128 -7.683 1.931) 8.517 6.454 ( 0.133 1.636 -11.081) 11.202 7.269 ( 1.153 0.410 -2.476) 2.762 24.117 ( 0.333 -0.014 14.344) 14.348 26.606 ( 0.432 0.143 5.623) 5.641 27.616 ( -1.800 -0.991 0.786) 2.200 31.225 ( 3.997 -0.906 -14.141) 14.723 96.447 ( 0.139 -0.116 6.972) 6.974 98.466 ( 2.175 0.848 -2.480) 3.406 ======================= Grid point 171 (57/258) ======================= q-point: (-0.42 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -6.899 4.519 -1.723) 8.426 1.282 ( -5.764 3.287 1.400) 6.781 1.646 ( -0.018 1.699 2.865) 3.331 1.778 ( 0.767 -4.119 0.660) 4.242 2.177 ( -7.847 -0.610 2.643) 8.302 2.300 ( 0.718 5.003 -1.955) 5.419 3.758 ( -5.290 1.707 -2.172) 5.968 3.810 ( -5.563 3.493 1.498) 6.738 4.482 ( -9.749 6.281 -9.645) 15.084 5.752 ( -4.043 -3.378 -1.009) 5.364 6.481 ( 0.844 -5.074 -9.296) 10.624 7.296 ( 2.473 1.346 1.558) 3.218 24.126 ( 0.602 0.062 14.669) 14.681 26.615 ( 0.678 0.400 4.415) 4.484 27.584 ( -2.855 -2.192 -0.180) 3.603 31.348 ( 7.459 -1.417 -14.726) 16.568 96.454 ( 0.495 -0.361 7.651) 7.675 98.512 ( 3.572 1.886 -3.013) 5.039 ======================= Grid point 172 (58/258) ======================= q-point: (-0.33 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -9.214 6.566 -1.841) 11.463 1.099 ( -8.887 7.020 2.701) 11.643 1.641 ( -0.952 0.833 3.332) 3.564 1.784 ( -5.159 -0.222 -1.028) 5.265 1.936 ( -7.988 2.701 4.507) 9.561 2.372 ( 4.668 -1.391 -0.849) 4.944 3.585 ( -11.438 1.368 3.152) 11.943 3.680 ( -5.635 0.698 1.592) 5.897 4.228 ( -10.008 8.011 -9.038) 15.685 5.681 ( -4.326 0.209 -3.426) 5.522 6.538 ( -1.217 -9.676 -8.871) 13.184 7.352 ( 4.945 2.666 6.572) 8.646 24.140 ( 0.889 0.005 15.390) 15.416 26.624 ( 0.724 0.715 2.837) 3.014 27.536 ( -4.260 -3.313 -1.718) 5.663 31.518 ( 8.612 -1.140 -15.559) 17.820 96.475 ( 1.268 -0.968 9.337) 9.472 98.575 ( 4.860 3.148 -3.819) 6.936 ======================= Grid point 173 (59/258) ======================= q-point: (-0.25 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -11.811 9.350 -3.115) 15.383 0.854 ( -9.684 8.889 5.561) 14.273 1.423 ( -14.760 11.070 11.809) 21.905 1.705 ( -0.318 -0.804 -1.726) 1.930 1.913 ( 0.274 -3.866 1.981) 4.353 2.472 ( 3.890 -2.508 -1.389) 4.832 3.321 ( -14.930 -1.377 4.142) 15.555 3.583 ( -3.672 0.376 6.246) 7.256 4.003 ( -7.501 5.981 -6.903) 11.819 5.586 ( -5.003 1.285 -6.268) 8.122 6.565 ( -4.569 -11.962 -7.762) 14.974 7.448 ( 7.803 5.050 10.001) 13.653 24.162 ( 1.405 -0.424 16.766) 16.830 26.631 ( 0.549 0.961 1.429) 1.807 27.463 ( -6.476 -4.275 -3.754) 8.620 31.682 ( 7.518 -0.137 -16.496) 18.129 96.527 ( 3.123 -2.817 13.048) 13.709 98.651 ( 6.195 5.024 -5.123) 9.480 ======================= Grid point 174 (60/258) ======================= q-point: (-0.17 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -9.158 11.067 1.434) 14.436 0.604 ( -9.150 8.545 9.348) 15.625 1.046 ( -12.160 16.548 17.466) 26.958 1.711 ( -0.475 -2.085 -0.722) 2.257 1.951 ( 0.709 -3.177 1.514) 3.590 2.553 ( 2.398 -2.410 -2.225) 4.063 3.072 ( -10.842 -2.095 4.914) 12.087 3.557 ( 1.586 -1.576 10.938) 11.164 3.844 ( -6.917 0.282 -3.171) 7.615 5.461 ( -6.981 1.485 -9.882) 12.190 6.548 ( -6.581 -14.015 -3.339) 15.840 7.560 ( 8.601 9.706 8.957) 15.761 24.209 ( 2.700 -2.314 19.101) 19.429 26.631 ( 0.258 0.985 0.535) 1.151 27.338 ( -9.778 -3.777 -5.088) 11.652 31.800 ( 4.839 1.277 -17.753) 18.445 96.665 ( 7.162 -9.875 19.933) 23.370 98.737 ( 7.530 8.114 -8.352) 13.867 ======================= Grid point 175 (61/258) ======================= q-point: (-0.08 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( -0.000 3.773 13.424) 13.945 0.408 ( -0.000 6.373 14.433) 15.778 0.763 ( -0.000 20.448 21.247) 29.488 1.721 ( 0.000 -2.160 -0.034) 2.160 1.978 ( 0.000 -1.684 1.243) 2.093 2.594 ( 0.000 -2.035 -2.545) 3.259 2.976 ( 0.000 -1.813 5.454) 5.747 3.706 ( 0.000 -0.522 3.005) 3.050 3.709 ( 0.000 -10.809 7.382) 13.089 5.333 ( -0.000 4.638 -8.268) 9.480 6.585 ( 0.000 -20.833 4.956) 21.414 7.561 ( -0.000 19.066 2.147) 19.187 24.292 ( 0.000 -7.146 19.376) 20.652 26.627 ( -0.000 0.746 0.258) 0.789 27.203 ( -0.000 0.504 -1.611) 1.688 31.836 ( -0.000 2.785 -18.898) 19.102 96.928 ( 0.000 -26.954 21.697) 34.601 98.763 ( -0.000 12.988 -14.178) 19.228 ======================= Grid point 178 (62/258) ======================= q-point: ( 0.17 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 9.990 -0.000 -0.403) 9.998 1.150 ( 11.795 -0.000 3.940) 12.436 1.632 ( -1.072 0.000 -2.480) 2.702 1.913 ( -1.782 0.000 4.420) 4.766 1.977 ( 14.876 -0.000 2.199) 15.038 2.337 ( -4.721 0.000 -1.405) 4.926 3.669 ( 5.818 -0.000 2.742) 6.432 3.759 ( 4.742 -0.000 -3.822) 6.091 4.369 ( 14.233 -0.000 -7.426) 16.054 5.571 ( 1.659 -0.000 6.737) 6.938 6.881 ( -6.578 0.000 -15.134) 16.502 7.185 ( 1.783 -0.000 -1.159) 2.127 24.122 ( -0.689 0.000 15.242) 15.258 26.602 ( -0.260 0.000 4.050) 4.059 27.659 ( 0.903 -0.000 -0.635) 1.104 31.386 ( -7.565 0.000 -14.732) 16.561 96.467 ( -1.145 0.000 8.778) 8.852 98.446 ( -1.539 0.000 -2.400) 2.851 ======================= Grid point 179 (63/258) ======================= q-point: ( 0.25 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 6.473 0.846 0.590) 6.555 1.330 ( 5.686 -1.809 2.783) 6.584 1.631 ( 0.988 0.543 -3.994) 4.150 1.886 ( 0.122 2.179 5.871) 6.263 2.111 ( -3.229 -2.410 -0.001) 4.030 2.355 ( 8.037 0.385 -1.660) 8.216 3.794 ( 6.986 -0.034 1.982) 7.262 3.837 ( 3.016 -0.299 -6.968) 7.598 4.603 ( 9.343 -0.253 -7.596) 12.044 5.606 ( 0.261 -3.502 6.598) 7.475 6.739 ( -6.050 3.847 -15.226) 16.830 7.219 ( 1.232 -0.868 -3.438) 3.753 24.112 ( -0.299 -0.068 14.660) 14.663 26.599 ( -0.091 -0.056 5.315) 5.316 27.662 ( -0.346 0.408 0.766) 0.934 31.256 ( -5.331 0.218 -14.230) 15.198 96.452 ( -0.464 0.045 7.515) 7.530 98.430 ( -0.293 -0.313 -2.168) 2.210 ======================= Grid point 180 (64/258) ======================= q-point: ( 0.33 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 1.376 0.776 0.610) 1.693 1.417 ( 2.068 -1.190 1.835) 3.010 1.641 ( 0.143 -0.049 -3.713) 3.717 1.865 ( -0.476 6.154 5.554) 8.303 2.059 ( -2.128 -4.974 1.272) 5.558 2.493 ( 4.739 0.971 -3.120) 5.756 3.867 ( 0.441 0.094 -7.714) 7.727 3.927 ( 6.192 1.733 1.391) 6.579 4.726 ( 3.482 0.640 -8.586) 9.287 5.623 ( -3.015 -7.693 3.647) 9.032 6.606 ( -3.932 5.228 -12.070) 13.729 7.246 ( 1.086 -0.489 -4.173) 4.339 24.111 ( 0.062 -0.109 14.329) 14.329 26.600 ( 0.190 -0.026 5.982) 5.985 27.642 ( -1.478 0.157 1.146) 1.877 31.189 ( -1.281 -0.016 -13.965) 14.023 96.446 ( -0.148 0.009 6.917) 6.919 98.440 ( 1.211 -0.063 -2.211) 2.521 ======================= Grid point 181 (65/258) ======================= q-point: (-0.58 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -0.710 -0.005 0.705) 1.001 1.407 ( -2.359 3.052 -1.062) 4.001 1.657 ( 0.330 -3.164 -1.231) 3.411 1.778 ( -2.731 5.464 4.793) 7.765 2.102 ( 1.465 -4.462 2.661) 5.398 2.502 ( -1.874 3.747 -3.620) 5.536 3.846 ( -2.414 0.245 -6.445) 6.887 3.976 ( 0.394 4.404 1.855) 4.795 4.729 ( -1.134 4.785 -10.351) 11.460 5.612 ( -5.733 -12.890 -1.474) 14.184 6.516 ( -1.297 5.106 -6.806) 8.607 7.272 ( 1.508 -0.007 -2.419) 2.851 24.116 ( 0.372 -0.084 14.231) 14.236 26.607 ( 0.561 0.086 5.734) 5.762 27.604 ( -2.489 -0.590 0.764) 2.669 31.213 ( 3.468 -0.684 -14.100) 14.536 96.445 ( 0.045 -0.073 6.794) 6.794 98.477 ( 2.735 0.547 -2.566) 3.791 ======================= Grid point 182 (66/258) ======================= q-point: (-0.50 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -5.256 4.687 -0.992) 7.112 1.327 ( -2.754 2.981 -0.239) 4.065 1.669 ( -1.415 -0.375 0.501) 1.547 1.724 ( -0.210 -1.297 2.900) 3.184 2.140 ( -2.260 -3.420 3.883) 5.646 2.392 ( -3.670 6.100 -3.202) 7.806 3.774 ( -4.605 0.747 -3.039) 5.568 3.867 ( -8.183 3.571 2.590) 9.296 4.606 ( -5.606 10.362 -11.007) 16.123 5.606 ( -5.658 -14.848 -7.205) 17.447 6.476 ( 0.239 3.170 -2.720) 4.184 7.309 ( 2.672 0.449 2.070) 3.410 24.126 ( 0.611 -0.017 14.388) 14.401 26.620 ( 0.893 0.325 4.603) 4.700 27.555 ( -3.478 -1.583 -0.097) 3.823 31.327 ( 7.279 -1.306 -14.690) 16.447 96.449 ( 0.281 -0.259 7.184) 7.194 98.536 ( 4.146 1.362 -3.231) 5.430 ======================= Grid point 183 (67/258) ======================= q-point: (-0.42 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -6.625 7.668 -2.372) 10.408 1.202 ( -6.593 6.544 1.791) 9.460 1.648 ( -0.592 -0.076 1.816) 1.912 1.743 ( -1.099 -4.164 -0.373) 4.323 1.996 ( -10.611 4.180 5.081) 12.485 2.364 ( 2.670 0.240 -1.018) 2.867 3.603 ( -14.123 1.059 2.951) 14.467 3.690 ( -5.746 0.570 1.695) 6.018 4.373 ( -9.414 11.161 -9.312) 17.317 5.601 ( -5.221 -10.655 -11.959) 16.846 6.469 ( 0.062 0.125 -1.782) 1.788 7.376 ( 4.869 0.749 8.255) 9.614 24.140 ( 0.788 -0.009 14.863) 14.884 26.635 ( 1.003 0.697 3.001) 3.240 27.492 ( -4.643 -2.483 -1.221) 5.405 31.498 ( 8.877 -1.395 -15.612) 18.013 96.462 ( 0.711 -0.716 8.292) 8.353 98.616 ( 5.418 2.236 -4.200) 7.211 ======================= Grid point 184 (68/258) ======================= q-point: (-0.33 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -8.460 11.174 -3.587) 14.467 0.987 ( -8.983 8.840 3.831) 13.173 1.590 ( -6.874 9.250 8.820) 14.512 1.684 ( -3.954 -1.255 -1.424) 4.386 1.850 ( -1.540 -3.785 2.585) 4.835 2.437 ( 3.415 -2.292 -0.579) 4.154 3.298 ( -16.434 -1.640 3.880) 16.965 3.592 ( -3.846 0.768 5.948) 7.124 4.100 ( -11.333 6.702 -5.675) 14.338 5.556 ( -5.571 -5.103 -15.219) 16.991 6.464 ( -1.413 -1.725 -2.916) 3.671 7.490 ( 7.390 0.899 13.660) 15.556 24.157 ( 0.962 -0.250 15.797) 15.828 26.646 ( 0.802 1.094 1.492) 2.017 27.409 ( -6.099 -2.834 -2.345) 7.123 31.674 ( 7.975 -0.899 -16.671) 18.502 96.492 ( 1.481 -1.910 10.579) 10.852 98.712 ( 6.546 3.011 -5.646) 9.154 ======================= Grid point 185 (69/258) ======================= q-point: (-0.25 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -7.137 14.094 -1.169) 15.841 0.742 ( -8.942 9.819 6.075) 14.604 1.319 ( -6.869 18.792 14.216) 24.544 1.662 ( -1.991 -4.372 -0.336) 4.816 1.887 ( 0.678 -5.186 1.223) 5.372 2.517 ( 2.692 -2.535 -1.546) 4.008 3.034 ( -11.516 -2.923 4.720) 12.784 3.545 ( -0.156 -0.120 10.182) 10.184 3.850 ( -11.386 0.431 -0.416) 11.401 5.466 ( -5.512 -0.597 -17.649) 18.499 6.439 ( -2.379 -1.839 -3.289) 4.457 7.633 ( 7.453 1.147 15.463) 17.204 24.182 ( 1.137 -1.217 17.377) 17.457 26.649 ( 0.393 1.337 0.507) 1.483 27.298 ( -6.808 -1.600 -2.674) 7.487 31.807 ( 5.020 -0.249 -17.855) 18.549 96.554 ( 2.356 -5.181 14.658) 15.724 98.820 ( 6.637 3.204 -8.313) 11.110 ======================= Grid point 186 (70/258) ======================= q-point: (-0.17 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -0.000 14.241 2.634) 14.483 0.532 ( -0.000 9.687 10.855) 14.548 1.089 ( -0.000 22.193 16.852) 27.866 1.673 ( 0.000 -4.270 0.303) 4.281 1.933 ( 0.000 -4.317 1.306) 4.511 2.564 ( 0.000 -2.009 -2.632) 3.311 2.938 ( 0.000 -3.158 5.427) 6.279 3.597 ( 0.000 -4.242 13.515) 14.165 3.695 ( 0.000 -0.912 2.793) 2.938 5.388 ( -0.000 2.707 -16.992) 17.206 6.424 ( 0.000 -3.375 -1.761) 3.807 7.707 ( -0.000 3.038 12.548) 12.911 24.215 ( 0.000 -3.251 19.037) 19.313 26.642 ( -0.000 1.293 0.206) 1.309 27.213 ( -0.000 0.871 -1.632) 1.850 31.859 ( -0.000 0.372 -18.933) 18.937 96.650 ( 0.000 -11.405 19.263) 22.386 98.878 ( -0.000 3.529 -12.030) 12.537 ======================= Grid point 191 (71/258) ======================= q-point: ( 0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.193 -0.000 2.643) 2.650 1.404 ( 4.172 -0.000 0.909) 4.270 1.641 ( -0.799 0.000 -5.090) 5.152 1.942 ( 4.030 -0.000 6.558) 7.697 1.991 ( -6.473 0.000 0.835) 6.527 2.501 ( 5.387 -0.000 -3.576) 6.466 3.868 ( 0.369 -0.000 -8.044) 8.053 3.942 ( 7.334 -0.000 1.694) 7.527 4.732 ( 4.391 -0.000 -8.719) 9.762 5.561 ( -3.999 0.000 3.403) 5.251 6.647 ( -4.493 0.000 -11.522) 12.367 7.242 ( 1.339 -0.000 -4.227) 4.434 24.110 ( 0.071 -0.000 14.330) 14.330 26.600 ( 0.219 -0.000 5.981) 5.985 27.643 ( -1.708 0.000 1.144) 2.055 31.189 ( -1.479 0.000 -13.964) 14.042 96.446 ( -0.172 0.000 6.919) 6.922 98.439 ( 1.400 -0.000 -2.205) 2.612 ======================= Grid point 192 (72/258) ======================= q-point: (-0.67 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -0.826 -0.104 2.352) 2.494 1.448 ( 0.529 1.867 -0.542) 2.015 1.615 ( -1.759 -1.830 -3.863) 4.623 1.858 ( -4.500 4.133 3.302) 6.945 2.034 ( 2.498 -3.702 5.132) 6.803 2.543 ( -0.575 1.484 -4.478) 4.752 3.849 ( -2.275 0.105 -6.449) 6.839 4.024 ( 0.400 1.759 1.917) 2.632 4.797 ( 3.973 3.267 -11.791) 12.864 5.450 ( -9.523 -6.783 -1.720) 11.817 6.576 ( -1.972 2.258 -5.183) 5.987 7.271 ( 1.708 -0.069 -2.441) 2.980 24.115 ( 0.401 -0.046 14.166) 14.171 26.608 ( 0.636 0.028 5.797) 5.832 27.599 ( -2.868 -0.188 0.746) 2.970 31.206 ( 3.154 -0.254 -14.075) 14.426 96.445 ( -0.004 -0.024 6.695) 6.695 98.482 ( 3.034 0.186 -2.610) 4.007 ======================= Grid point 193 (73/258) ======================= q-point: (-0.58 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -1.830 1.092 1.973) 2.904 1.394 ( -2.490 5.415 -2.863) 6.612 1.614 ( -1.380 -4.931 -3.035) 5.952 1.755 ( -3.315 3.091 4.789) 6.594 2.087 ( -0.054 -3.220 5.356) 6.249 2.467 ( -4.480 3.609 -3.988) 7.000 3.783 ( -4.235 0.416 -2.943) 5.174 3.908 ( -10.506 1.828 2.508) 10.955 4.790 ( -0.460 13.802 -12.835) 18.853 5.352 ( -8.074 -17.642 -8.597) 21.221 6.533 ( -0.350 3.421 0.202) 3.445 7.312 ( 2.669 0.038 2.198) 3.458 24.125 ( 0.638 -0.041 14.185) 14.200 26.624 ( 1.053 0.179 4.743) 4.862 27.537 ( -3.839 -0.794 -0.078) 3.921 31.311 ( 7.112 -0.782 -14.656) 16.309 96.446 ( 0.156 -0.131 6.874) 6.877 98.552 ( 4.442 0.688 -3.363) 5.614 ======================= Grid point 194 (74/258) ======================= q-point: (-0.50 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -4.175 6.912 -1.276) 8.176 1.294 ( -4.135 5.834 -0.037) 7.151 1.622 ( -1.623 -4.137 -2.701) 5.201 1.689 ( -2.674 -2.027 3.067) 4.546 2.045 ( -5.647 2.260 6.240) 8.714 2.375 ( -1.432 1.077 -1.513) 2.345 3.617 ( -16.484 0.689 2.837) 16.740 3.697 ( -5.338 0.306 1.692) 5.608 4.555 ( -12.020 12.590 -8.627) 19.427 5.398 ( -1.673 -14.869 -17.698) 23.176 6.506 ( 0.164 3.515 2.690) 4.429 7.379 ( 4.371 -0.134 8.877) 9.895 24.139 ( 0.756 -0.023 14.431) 14.450 26.644 ( 1.248 0.499 3.149) 3.424 27.463 ( -4.678 -1.426 -0.997) 4.991 31.479 ( 9.001 -1.137 -15.622) 18.065 96.453 ( 0.393 -0.415 7.559) 7.580 98.641 ( 5.500 1.223 -4.418) 7.160 ======================= Grid point 195 (75/258) ======================= q-point: (-0.42 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -5.238 11.054 -3.156) 12.633 1.119 ( -7.991 8.826 2.473) 12.161 1.604 ( -3.089 -4.112 0.011) 5.143 1.683 ( -1.694 -3.808 -0.465) 4.193 1.870 ( -6.007 7.886 8.295) 12.926 2.398 ( 1.972 -3.068 0.451) 3.674 3.275 ( -17.817 -1.350 3.717) 18.251 3.604 ( -3.786 0.785 5.842) 7.006 4.195 ( -16.934 5.645 -3.832) 18.257 5.458 ( -1.192 -6.921 -23.475) 24.503 6.483 ( -0.046 3.108 2.198) 3.807 7.486 ( 6.166 -0.983 15.355) 16.576 24.155 ( 0.760 -0.112 14.978) 14.998 26.662 ( 1.060 0.938 1.561) 2.108 27.377 ( -5.286 -1.487 -1.736) 5.759 31.658 ( 8.206 -1.111 -16.729) 18.667 96.469 ( 0.719 -1.087 8.912) 9.007 98.744 ( 6.001 1.371 -5.785) 8.447 ======================= Grid point 196 (76/258) ======================= q-point: (-0.33 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -7.408 12.746 1.344) 14.804 0.903 ( -5.779 12.028 1.170) 13.396 1.575 ( -2.699 2.554 3.916) 5.398 1.588 ( -3.840 5.612 5.340) 8.646 1.808 ( 0.176 -4.031 2.563) 4.780 2.471 ( 2.469 -3.792 -0.028) 4.525 2.989 ( -12.321 -2.929 4.604) 13.475 3.550 ( -0.878 0.628 9.565) 9.625 3.855 ( -14.859 0.173 1.243) 14.912 5.454 ( -1.858 -0.758 -25.870) 25.947 6.456 ( -0.423 3.031 0.238) 3.070 7.620 ( 5.678 -2.325 18.895) 19.866 24.170 ( 0.617 -0.500 15.897) 15.917 26.669 ( 0.557 1.333 0.476) 1.521 27.285 ( -4.673 -0.365 -1.947) 5.076 31.797 ( 4.992 -0.944 -17.737) 18.451 96.499 ( 0.894 -2.525 11.078) 11.398 98.846 ( 5.017 0.702 -7.604) 9.137 ======================= Grid point 197 (77/258) ======================= q-point: (-0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.000 11.011 8.091) 13.665 0.728 ( -0.000 15.703 -0.883) 15.728 1.412 ( -0.000 20.266 12.484) 23.803 1.593 ( 0.000 -6.262 0.832) 6.317 1.854 ( 0.000 -5.861 1.401) 6.027 2.527 ( 0.000 -3.067 -1.452) 3.393 2.885 ( 0.000 -3.673 5.385) 6.518 3.564 ( 0.000 -0.736 13.461) 13.481 3.680 ( 0.000 -1.064 2.504) 2.721 5.422 ( -0.000 2.014 -24.693) 24.775 6.427 ( -0.000 2.621 -1.429) 2.986 7.704 ( 0.000 -2.534 18.523) 18.695 24.184 ( 0.000 -1.206 16.972) 17.015 26.664 ( -0.000 1.494 0.135) 1.500 27.227 ( -0.000 1.003 -1.660) 1.939 31.854 ( 0.000 -0.801 -18.361) 18.378 96.537 ( 0.000 -4.694 13.604) 14.391 98.901 ( -0.000 0.163 -9.394) 9.396 ======================= Grid point 204 (78/258) ======================= q-point: (-0.67 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -0.854 0.000 2.266) 2.421 1.451 ( -1.407 0.000 -2.188) 2.601 1.561 ( -2.455 0.000 -4.159) 4.830 1.783 ( -4.604 0.000 4.074) 6.148 2.059 ( 1.065 -0.000 6.302) 6.392 2.495 ( -4.656 0.000 -4.258) 6.309 3.786 ( -4.103 0.000 -2.878) 5.012 3.922 ( -11.394 0.000 2.407) 11.646 4.957 ( 9.845 -0.000 -17.495) 20.075 5.155 ( -17.302 0.000 -4.664) 17.919 6.561 ( -0.574 0.000 0.905) 1.071 7.312 ( 2.647 -0.000 2.201) 3.443 24.125 ( 0.651 -0.000 14.111) 14.126 26.625 ( 1.113 -0.000 4.794) 4.922 27.531 ( -3.955 0.000 -0.079) 3.956 31.305 ( 7.044 -0.000 -14.642) 16.248 96.445 ( 0.115 -0.000 6.766) 6.767 98.557 ( 4.529 -0.000 -3.407) 5.667 ======================= Grid point 206 (79/258) ======================= q-point: (-0.58 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -1.494 2.256 1.691) 3.191 1.385 ( -2.777 5.694 -2.967) 6.995 1.540 ( -1.936 -5.367 -4.260) 7.120 1.676 ( -6.402 -0.224 3.499) 7.299 2.065 ( -0.687 0.574 7.148) 7.204 2.389 ( -4.855 0.585 -1.830) 5.221 3.624 ( -18.029 0.256 2.821) 18.250 3.699 ( -4.711 0.075 1.623) 4.983 4.726 ( -19.928 8.408 -5.595) 22.341 5.199 ( 7.092 -9.484 -22.428) 25.363 6.549 ( -0.093 1.654 4.316) 4.623 7.376 ( 3.964 -0.167 8.988) 9.825 24.139 ( 0.756 -0.013 14.189) 14.209 26.650 ( 1.392 0.180 3.236) 3.527 27.449 ( -4.626 -0.453 -0.926) 4.740 31.466 ( 9.046 -0.436 -15.619) 18.055 96.449 ( 0.254 -0.134 7.191) 7.197 98.653 ( 5.443 0.378 -4.512) 7.081 ======================= Grid point 207 (80/258) ======================= q-point: (-0.50 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -3.713 7.553 0.811) 8.455 1.259 ( -4.778 9.726 -1.524) 10.942 1.530 ( -5.546 -5.111 -1.107) 7.623 1.586 ( -2.762 -7.603 -1.248) 8.185 2.003 ( -2.159 8.072 8.361) 11.821 2.345 ( -0.572 -3.690 1.312) 3.958 3.259 ( -18.792 -0.732 3.641) 19.155 3.614 ( -3.673 0.483 5.792) 6.875 4.262 ( -22.473 3.139 -1.871) 22.768 5.370 ( 4.833 -4.252 -28.773) 29.484 6.531 ( -0.002 2.707 5.214) 5.875 7.469 ( 5.050 -1.072 15.893) 16.711 24.153 ( 0.693 -0.039 14.443) 14.460 26.673 ( 1.253 0.538 1.614) 2.113 27.362 ( -4.656 -0.599 -1.523) 4.935 31.644 ( 8.333 -0.729 -16.753) 18.725 96.458 ( 0.397 -0.484 8.001) 8.026 98.757 ( 5.442 0.469 -5.802) 7.969 ======================= Grid point 208 (81/258) ======================= q-point: (-0.42 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -7.776 10.846 3.494) 13.795 1.097 ( -2.803 12.995 -1.813) 13.417 1.471 ( -4.578 -8.075 1.062) 9.342 1.625 ( -0.306 -6.823 -1.826) 7.070 1.891 ( -0.613 12.911 9.668) 16.142 2.399 ( 1.717 -5.762 1.728) 6.256 2.950 ( -13.103 -2.147 4.607) 14.054 3.560 ( -1.136 0.662 9.122) 9.216 3.855 ( -17.074 -0.100 2.196) 17.215 5.447 ( 1.629 -0.133 -31.976) 32.018 6.508 ( -0.044 3.423 4.146) 5.377 7.578 ( 4.252 -2.817 20.367) 20.996 24.166 ( 0.456 -0.170 14.911) 14.919 26.687 ( 0.704 0.975 0.450) 1.284 27.283 ( -3.454 0.062 -1.741) 3.869 31.782 ( 5.007 -0.877 -17.693) 18.409 96.472 ( 0.409 -1.166 9.160) 9.243 98.849 ( 3.924 -0.127 -7.129) 8.138 ======================= Grid point 209 (82/258) ======================= q-point: (-0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -0.000 11.376 6.152) 12.933 0.959 ( -0.000 14.855 -1.373) 14.918 1.486 ( 0.000 -8.024 1.512) 8.165 1.641 ( -0.000 4.204 2.584) 4.934 1.808 ( -0.000 5.644 7.301) 9.228 2.466 ( 0.000 -5.210 0.492) 5.233 2.833 ( 0.000 -3.205 5.334) 6.223 3.563 ( -0.000 0.388 12.885) 12.891 3.665 ( 0.000 -0.929 2.218) 2.405 5.451 ( -0.000 1.855 -31.286) 31.341 6.480 ( -0.000 3.849 2.226) 4.447 7.651 ( 0.000 -3.952 21.221) 21.586 24.173 ( 0.000 -0.416 15.508) 15.514 26.685 ( -0.000 1.295 0.063) 1.297 27.242 ( -0.000 0.866 -1.687) 1.897 31.840 ( 0.000 -0.998 -18.116) 18.144 96.489 ( 0.000 -2.080 10.410) 10.616 98.895 ( 0.000 -0.725 -8.077) 8.109 ======================= Grid point 218 (83/258) ======================= q-point: (-0.58 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -1.780 0.000 2.027) 2.698 1.363 ( -2.522 0.000 -1.835) 3.119 1.479 ( -1.405 0.000 -5.159) 5.347 1.500 ( -10.991 0.000 1.620) 11.110 2.074 ( 0.891 -0.000 8.172) 8.220 2.309 ( -2.911 0.000 1.482) 3.266 3.253 ( -19.143 0.000 3.620) 19.483 3.618 ( -3.621 0.000 5.772) 6.814 4.286 ( -24.885 0.000 -0.987) 24.905 5.338 ( 7.584 -0.000 -30.657) 31.581 6.553 ( -0.078 0.000 6.206) 6.207 7.460 ( 4.605 -0.000 15.976) 16.626 24.153 ( 0.681 -0.000 14.258) 14.274 26.677 ( 1.325 -0.000 1.634) 2.104 27.358 ( -4.431 0.000 -1.475) 4.670 31.638 ( 8.376 -0.000 -16.761) 18.737 96.454 ( 0.309 -0.000 7.716) 7.722 98.760 ( 5.227 -0.000 -5.801) 7.808 ======================= Grid point 220 (84/258) ======================= q-point: (-0.50 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -6.257 10.145 2.775) 12.238 1.275 ( -1.951 9.631 -0.470) 9.838 1.340 ( -6.153 -9.164 1.834) 11.190 1.501 ( -0.417 -8.093 -3.981) 9.029 2.069 ( 1.466 8.859 8.352) 12.264 2.305 ( 0.242 -5.867 2.970) 6.580 2.927 ( -13.602 -0.787 4.655) 14.398 3.567 ( -1.219 0.268 8.875) 8.962 3.853 ( -18.057 -0.089 2.606) 18.245 5.448 ( 3.531 0.065 -35.090) 35.267 6.546 ( -0.044 1.428 6.544) 6.699 7.546 ( 3.447 -1.229 20.833) 21.152 24.164 ( 0.414 -0.037 14.421) 14.427 26.697 ( 0.790 0.357 0.436) 0.970 27.285 ( -2.910 0.065 -1.690) 3.366 31.773 ( 5.036 -0.345 -17.693) 18.399 96.461 ( 0.250 -0.341 8.343) 8.354 98.846 ( 3.404 -0.127 -6.918) 7.711 ======================= Grid point 221 (85/258) ======================= q-point: (-0.42 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -0.000 10.997 4.774) 11.988 1.169 ( -0.000 12.803 -0.566) 12.816 1.355 ( 0.000 -9.289 2.272) 9.563 1.563 ( 0.000 -8.804 -2.595) 9.178 1.996 ( -0.000 13.633 8.747) 16.197 2.370 ( 0.000 -7.524 2.421) 7.904 2.794 ( 0.000 -1.860 5.293) 5.610 3.570 ( -0.000 0.416 12.480) 12.487 3.653 ( 0.000 -0.539 2.010) 2.081 5.475 ( -0.000 1.210 -35.660) 35.681 6.531 ( -0.000 2.631 5.665) 6.246 7.598 ( 0.000 -2.815 22.295) 22.472 24.169 ( 0.000 -0.118 14.675) 14.676 26.701 ( -0.000 0.748 0.011) 0.748 27.252 ( -0.000 0.499 -1.707) 1.779 31.827 ( 0.000 -0.636 -18.060) 18.071 96.468 ( 0.000 -0.825 8.907) 8.945 98.884 ( 0.000 -0.579 -7.499) 7.521 ======================= Grid point 233 (86/258) ======================= q-point: ( 0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -0.000 0.000 4.300) 4.300 1.237 ( 0.000 -0.000 2.563) 2.563 1.301 ( -0.000 0.000 1.956) 1.956 1.460 ( 0.000 -0.000 -5.253) 5.253 2.137 ( 0.000 -0.000 7.979) 7.979 2.277 ( -0.000 0.000 3.056) 3.056 2.779 ( -0.000 0.000 5.277) 5.277 3.573 ( -0.000 0.000 12.335) 12.335 3.649 ( -0.000 0.000 1.934) 1.934 5.484 ( -0.000 0.000 -37.186) 37.186 6.551 ( -0.000 0.000 7.026) 7.026 7.575 ( -0.000 0.000 22.560) 22.560 24.168 ( -0.000 0.000 14.404) 14.404 26.707 ( -0.000 0.000 -0.008) 0.008 27.256 ( -0.000 0.000 -1.714) 1.714 31.822 ( -0.000 0.000 -18.057) 18.057 96.462 ( -0.000 0.000 8.468) 8.468 98.880 ( -0.000 0.000 -7.337) 7.337 ======================= Grid point 302 (87/258) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.000 0.000 14.367) 14.367 0.774 ( 0.000 0.000 19.632) 19.632 1.055 ( 0.000 0.000 22.671) 22.671 1.725 ( 0.000 0.000 -1.177) 1.177 2.031 ( 0.000 0.000 2.678) 2.678 2.539 ( 0.000 0.000 -4.620) 4.620 3.151 ( 0.000 0.000 9.754) 9.754 3.648 ( 0.000 0.000 -8.662) 8.662 3.795 ( 0.000 0.000 4.717) 4.717 5.264 ( 0.000 0.000 -2.843) 2.843 7.087 ( 0.000 0.000 0.431) 0.431 7.245 ( 0.000 0.000 8.864) 8.864 24.805 ( 0.000 0.000 27.102) 27.102 26.632 ( 0.000 0.000 0.837) 0.837 27.150 ( 0.000 0.000 -3.070) 3.070 31.306 ( 0.000 0.000 -30.963) 30.963 97.329 ( 0.000 0.000 3.595) 3.595 98.465 ( 0.000 0.000 -6.786) 6.786 ======================= Grid point 303 (88/258) ======================= q-point: ( 0.08 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -1.175 0.867 14.997) 15.068 0.812 ( 4.609 -0.602 17.141) 17.760 1.253 ( 12.790 -7.015 18.370) 23.457 1.709 ( -1.333 0.538 -1.383) 1.994 2.030 ( 0.314 1.326 2.874) 3.181 2.515 ( -1.918 1.071 -4.346) 4.870 3.240 ( 9.134 0.862 8.634) 12.598 3.658 ( 0.950 -0.263 -7.788) 7.850 3.763 ( -2.441 -0.688 5.136) 5.728 5.342 ( 7.534 2.041 -4.826) 9.177 6.911 ( -2.709 22.261 3.106) 22.639 7.358 ( -3.913 -22.655 3.607) 23.272 24.749 ( -4.035 1.327 28.976) 29.286 26.640 ( 0.681 -0.342 1.348) 1.548 27.246 ( 8.309 0.399 -5.463) 9.952 31.278 ( -3.060 -0.290 -30.885) 31.038 97.154 ( -11.894 5.809 10.787) 17.075 98.469 ( -1.371 -3.464 -7.192) 8.100 ======================= Grid point 304 (89/258) ======================= q-point: ( 0.17 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 8.914 -2.036 7.641) 11.916 0.947 ( 7.233 -3.608 12.794) 15.134 1.565 ( 13.397 -6.185 13.228) 19.817 1.673 ( -1.812 0.048 -1.619) 2.430 2.019 ( 0.154 2.719 3.297) 4.276 2.454 ( -3.387 1.339 -3.478) 5.036 3.459 ( 12.920 1.111 6.806) 14.646 3.675 ( 0.582 0.912 -1.324) 1.710 3.762 ( 1.781 -4.416 -3.873) 6.138 5.484 ( 8.471 2.614 -5.318) 10.338 6.704 ( -4.328 15.171 -1.481) 15.846 7.388 ( -7.272 -15.278 1.867) 17.024 24.666 ( -3.216 1.027 29.686) 29.877 26.663 ( 1.273 -0.598 2.830) 3.160 27.405 ( 8.084 1.561 -5.462) 9.880 31.192 ( -5.693 0.166 -30.349) 30.879 96.906 ( -8.672 4.140 15.175) 17.962 98.456 ( -2.430 -3.120 -6.854) 7.913 ======================= Grid point 305 (90/258) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 11.355 -3.113 2.048) 11.951 1.129 ( 8.256 -3.790 8.449) 12.406 1.634 ( -1.642 -0.504 -2.034) 2.662 1.844 ( 9.694 -2.392 7.776) 12.656 2.013 ( 2.306 0.582 4.155) 4.788 2.368 ( -4.451 1.158 -2.087) 5.050 3.644 ( 3.684 -0.429 2.282) 4.355 3.692 ( 3.237 -1.493 1.760) 3.975 3.923 ( 11.398 -3.057 -10.525) 15.812 5.626 ( 8.422 2.905 -4.435) 9.952 6.507 ( -7.021 8.404 -7.386) 13.209 7.329 ( -7.577 -8.690 -0.096) 11.530 24.610 ( -2.037 0.592 28.965) 29.042 26.696 ( 1.638 -0.701 5.067) 5.371 27.528 ( 6.071 2.090 -2.938) 7.061 31.062 ( -7.090 0.825 -29.358) 30.213 96.760 ( -4.385 2.176 14.500) 15.304 98.427 ( -2.471 -2.210 -6.072) 6.918 ======================= Grid point 306 (91/258) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 8.486 -1.870 0.612) 8.711 1.303 ( 6.881 -2.041 4.756) 8.610 1.625 ( 0.001 -2.384 -1.180) 2.660 1.903 ( 0.383 4.318 4.431) 6.199 2.166 ( 7.419 -4.889 1.900) 9.086 2.275 ( -3.229 0.946 0.025) 3.365 3.664 ( 0.087 -0.765 -5.111) 5.169 3.795 ( 3.607 -3.970 2.472) 5.906 4.185 ( 12.613 -1.242 -12.198) 17.590 5.764 ( 8.500 4.161 -4.439) 10.453 6.308 ( -9.040 2.477 -11.244) 14.639 7.241 ( -6.181 -4.249 -3.175) 8.145 24.576 ( -1.229 0.302 28.184) 28.212 26.733 ( 1.592 -0.625 7.577) 7.767 27.609 ( 3.973 1.964 -0.476) 4.457 30.919 ( -6.590 1.125 -28.212) 28.993 96.688 ( -2.017 1.109 13.227) 13.426 98.398 ( -1.883 -1.445 -5.310) 5.816 ======================= Grid point 307 (92/258) ======================= q-point: ( 0.42 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 3.699 -0.623 0.133) 3.753 1.410 ( 3.568 0.347 2.039) 4.124 1.679 ( 2.503 -4.747 0.734) 5.416 1.862 ( -0.858 4.730 5.255) 7.122 2.163 ( -3.855 -0.586 -1.025) 4.032 2.365 ( 5.824 -2.129 -0.219) 6.205 3.671 ( 0.076 -0.601 -8.964) 8.984 3.878 ( 2.051 -3.010 1.589) 3.973 4.394 ( 7.626 -0.585 -13.699) 15.689 5.889 ( 8.331 6.275 -6.844) 12.475 6.131 ( -9.211 -3.111 -10.952) 14.645 7.165 ( -3.643 -1.579 -6.284) 7.433 24.557 ( -0.589 0.119 27.688) 27.694 26.763 ( 1.006 -0.375 9.611) 9.671 27.654 ( 1.935 1.210 1.081) 2.525 30.806 ( -4.004 0.802 -27.292) 27.596 96.657 ( -0.786 0.485 12.418) 12.452 98.378 ( -0.992 -0.734 -4.771) 4.928 ======================= Grid point 308 (93/258) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.000 -0.000 -0.156) 0.156 1.443 ( -0.000 -0.000 1.234) 1.234 1.749 ( -0.000 0.000 -0.149) 0.149 1.814 ( 0.000 -0.000 7.517) 7.517 2.124 ( 0.000 -0.000 -0.747) 0.747 2.433 ( 0.000 -0.000 -1.772) 1.772 3.674 ( 0.000 -0.000 -10.401) 10.401 3.911 ( 0.000 -0.000 1.259) 1.259 4.472 ( 0.000 -0.000 -14.273) 14.273 5.989 ( 0.000 0.000 -27.459) 27.459 6.009 ( -0.000 -0.000 9.100) 9.100 7.134 ( 0.000 -0.000 -7.650) 7.650 24.551 ( 0.000 -0.000 27.522) 27.522 26.775 ( 0.000 -0.000 10.404) 10.404 27.668 ( 0.000 -0.000 1.595) 1.595 30.762 ( 0.000 -0.000 -26.940) 26.940 96.647 ( 0.000 -0.000 12.152) 12.152 98.371 ( 0.000 -0.000 -4.577) 4.577 ======================= Grid point 316 (94/258) ======================= q-point: ( 0.08 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 8.308 -0.000 8.457) 11.855 0.917 ( 7.221 -0.000 14.887) 16.546 1.515 ( 15.273 -0.000 13.345) 20.282 1.673 ( -2.286 0.000 -1.703) 2.851 2.040 ( 0.010 -0.000 3.689) 3.689 2.466 ( -3.545 0.000 -4.129) 5.442 3.467 ( 12.410 -0.000 7.066) 14.280 3.704 ( 4.649 -0.000 -9.231) 10.336 3.707 ( -2.382 0.000 4.093) 4.736 5.498 ( 7.444 -0.000 -2.607) 7.887 6.883 ( -9.427 0.000 -7.762) 12.211 7.213 ( -1.552 0.000 4.860) 5.102 24.674 ( -3.596 0.000 29.798) 30.015 26.658 ( 1.306 -0.000 2.821) 3.109 27.417 ( 8.205 -0.000 -6.074) 10.209 31.193 ( -5.473 0.000 -30.101) 30.595 96.940 ( -10.344 0.000 15.057) 18.268 98.430 ( -1.566 0.000 -6.075) 6.274 ======================= Grid point 317 (95/258) ======================= q-point: ( 0.17 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 11.975 -0.955 2.522) 12.275 1.088 ( 9.339 -1.510 10.498) 14.132 1.628 ( -2.321 -0.263 -1.851) 2.980 1.807 ( 13.579 -1.603 8.565) 16.134 2.029 ( -0.505 0.833 4.352) 4.460 2.383 ( -4.639 0.630 -3.305) 5.731 3.641 ( 4.943 0.001 4.066) 6.401 3.674 ( -0.558 -0.790 -0.189) 0.985 3.895 ( 13.813 -0.804 -9.516) 16.793 5.634 ( 6.560 -0.529 1.494) 6.749 6.648 ( -10.294 7.429 -14.310) 19.130 7.204 ( -3.218 -6.231 0.283) 7.019 24.616 ( -2.330 0.221 29.235) 29.328 26.689 ( 1.729 -0.257 4.995) 5.292 27.551 ( 5.912 0.849 -3.445) 6.895 31.071 ( -6.915 0.267 -29.211) 30.019 96.784 ( -5.494 0.911 14.872) 15.881 98.402 ( -1.718 -0.957 -5.479) 5.821 ======================= Grid point 318 (96/258) ======================= q-point: ( 0.25 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 10.077 -0.773 0.719) 10.132 1.278 ( 8.610 -1.239 6.378) 10.786 1.595 ( -1.458 -1.448 -1.641) 2.630 1.967 ( 1.417 4.094 4.746) 6.425 2.095 ( 7.611 -4.485 3.505) 9.504 2.288 ( -3.768 0.754 -1.811) 4.248 3.655 ( -0.212 -0.426 -5.636) 5.656 3.750 ( 4.428 -1.948 2.770) 5.574 4.175 ( 13.371 -0.333 -10.917) 17.265 5.759 ( 4.908 -2.671 4.758) 7.339 6.400 ( -9.129 7.285 -20.528) 23.618 7.174 ( -3.610 -4.124 -3.637) 6.578 24.579 ( -1.431 0.147 28.438) 28.474 26.726 ( 1.749 -0.365 7.438) 7.649 27.634 ( 3.544 1.238 -0.667) 3.812 30.932 ( -6.698 0.618 -28.204) 28.995 96.702 ( -2.615 0.706 13.603) 13.871 98.379 ( -1.302 -0.949 -4.920) 5.177 ======================= Grid point 319 (97/258) ======================= q-point: ( 0.33 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 5.309 1.043 0.669) 5.452 1.416 ( 4.689 0.133 3.003) 5.570 1.607 ( 0.741 -4.235 -0.310) 4.310 1.940 ( 0.186 5.221 5.205) 7.375 2.147 ( -3.601 -1.644 -0.590) 4.002 2.333 ( 6.217 -1.982 -0.705) 6.563 3.660 ( 0.201 -0.767 -9.419) 9.452 3.851 ( 4.654 -0.789 2.068) 5.154 4.389 ( 8.036 -0.175 -12.929) 15.224 5.839 ( -1.809 -7.739 3.225) 8.577 6.216 ( -2.158 9.356 -21.025) 23.114 7.137 ( -2.259 -1.975 -6.615) 7.264 24.558 ( -0.736 0.017 27.839) 27.849 26.758 ( 1.235 -0.292 9.485) 9.569 27.671 ( 1.216 1.005 1.070) 1.907 30.816 ( -4.472 0.569 -27.338) 27.707 96.663 ( -1.171 0.382 12.641) 12.700 98.368 ( -0.466 -0.601 -4.568) 4.630 ======================= Grid point 320 (98/258) ======================= q-point: ( 0.42 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 1.133 2.004 0.155) 2.307 1.451 ( -0.274 0.959 1.456) 1.765 1.674 ( 1.209 -6.255 0.872) 6.430 1.889 ( -1.126 6.185 5.863) 8.596 2.117 ( 0.330 -0.924 -0.245) 1.011 2.425 ( 1.408 -0.913 -2.497) 3.008 3.671 ( 0.338 -0.422 -10.501) 10.515 3.928 ( 3.453 2.105 1.296) 4.247 4.474 ( 0.585 0.215 -14.371) 14.385 5.792 ( -9.842 -13.046 -8.841) 18.580 6.193 ( 6.712 11.453 -9.248) 16.179 7.130 ( 0.828 -0.510 -7.661) 7.722 24.550 ( -0.127 -0.106 27.524) 27.524 26.775 ( 0.281 -0.034 10.400) 10.403 27.669 ( -0.894 0.152 1.594) 1.834 30.762 ( -0.669 -0.013 -26.938) 26.946 96.648 ( -0.340 0.015 12.154) 12.159 98.371 ( 0.530 -0.046 -4.570) 4.600 ======================= Grid point 321 (99/258) ======================= q-point: (-0.50 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -2.395 2.538 -0.463) 3.520 1.411 ( -2.800 0.489 2.187) 3.586 1.705 ( -2.441 -2.798 -0.865) 3.812 1.836 ( 0.208 2.504 6.995) 7.432 2.166 ( 3.812 -0.182 -0.240) 3.824 2.393 ( -4.417 1.494 -1.630) 4.940 3.677 ( 0.280 0.273 -8.738) 8.747 3.940 ( 0.360 5.025 1.386) 5.225 4.408 ( -6.614 1.296 -15.026) 16.469 5.698 ( -10.561 -15.464 -14.282) 23.551 6.260 ( 8.222 10.448 -2.939) 13.616 7.183 ( 4.693 0.764 -5.900) 7.577 24.554 ( 0.435 -0.232 27.515) 27.519 26.769 ( -0.730 0.344 9.757) 9.790 27.637 ( -2.741 -1.022 1.070) 3.115 30.793 ( 3.445 -0.828 -27.231) 27.461 96.649 ( 0.379 -0.447 12.169) 12.183 98.389 ( 1.532 0.641 -4.979) 5.248 ======================= Grid point 322 (100/258) ======================= q-point: (-0.42 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -6.814 3.340 -0.105) 7.589 1.336 ( -4.381 2.342 3.646) 6.162 1.654 ( -2.059 0.757 -1.558) 2.691 1.847 ( -0.079 -2.594 5.061) 5.688 2.231 ( -4.358 2.572 0.667) 5.105 2.268 ( 0.899 1.081 0.863) 1.650 3.677 ( 0.101 0.904 -4.916) 4.999 3.865 ( -4.258 4.995 2.901) 7.176 4.218 ( -10.412 3.380 -14.581) 18.233 5.611 ( -10.506 -15.049 -14.645) 23.480 6.350 ( 7.714 6.838 -0.801) 10.339 7.294 ( 7.966 2.739 -2.178) 8.701 24.570 ( 0.988 -0.426 27.834) 27.854 26.744 ( -1.368 0.709 7.775) 7.926 27.579 ( -4.465 -2.005 -0.308) 4.904 30.900 ( 6.391 -1.373 -28.196) 28.944 96.671 ( 1.344 -1.130 12.732) 12.852 98.420 ( 2.474 1.398 -5.765) 6.427 ======================= Grid point 323 (101/258) ======================= q-point: (-0.33 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -9.559 5.152 0.906) 10.897 1.196 ( -6.947 4.964 6.202) 10.553 1.637 ( 0.316 -0.364 -2.497) 2.543 1.848 ( -2.775 -1.980 5.305) 6.305 2.039 ( -7.733 4.188 5.512) 10.379 2.353 ( 4.384 -0.711 -0.857) 4.523 3.653 ( -4.624 0.681 1.206) 4.827 3.714 ( -6.190 1.334 2.882) 6.957 3.993 ( -7.923 6.444 -12.063) 15.806 5.511 ( -10.602 -12.606 -13.503) 21.299 6.450 ( 5.556 1.199 1.380) 5.849 7.440 ( 10.185 5.899 1.438) 11.857 24.600 ( 1.608 -0.795 28.481) 28.538 26.709 ( -1.479 0.955 5.200) 5.490 27.493 ( -6.152 -2.406 -2.306) 6.997 31.046 ( 7.282 -1.311 -29.538) 30.451 96.724 ( 2.960 -2.409 13.840) 14.357 98.462 ( 3.268 2.277 -6.861) 7.933 ======================= Grid point 324 (102/258) ======================= q-point: (-0.25 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -8.896 6.126 4.824) 11.830 1.014 ( -7.409 5.220 9.433) 13.081 1.651 ( -1.396 0.665 0.393) 1.595 1.699 ( -6.960 7.058 10.186) 14.213 1.965 ( -1.093 -3.967 2.845) 5.002 2.434 ( 3.241 -1.068 -2.137) 4.027 3.435 ( -13.933 -2.030 6.113) 15.349 3.678 ( -0.028 1.041 0.933) 1.398 3.839 ( -3.169 5.853 -6.139) 9.055 5.391 ( -10.526 -10.209 -11.820) 18.834 6.543 ( 2.525 -5.104 5.026) 7.595 7.585 ( 10.590 10.419 3.123) 15.181 24.646 ( 2.396 -1.523 29.284) 29.421 26.675 ( -1.183 1.033 2.855) 3.259 27.376 ( -7.592 -2.020 -4.262) 8.938 31.186 ( 6.115 -0.679 -30.836) 31.443 96.832 ( 5.550 -5.181 15.008) 16.819 98.509 ( 3.686 3.509 -8.249) 9.692 ======================= Grid point 325 (103/258) ======================= q-point: (-0.17 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -1.025 2.431 12.804) 13.073 0.842 ( -6.889 3.497 12.734) 14.894 1.422 ( -7.994 14.016 17.894) 24.094 1.691 ( 0.576 -1.796 -1.237) 2.256 1.990 ( -0.039 -3.998 2.059) 4.497 2.493 ( 1.757 -1.519 -3.475) 4.180 3.215 ( -9.372 -2.374 8.488) 12.866 3.670 ( -0.075 1.321 -3.458) 3.703 3.780 ( -0.092 1.542 1.801) 2.373 5.269 ( -8.567 -8.066 -8.524) 14.529 6.633 ( 0.412 -12.275 9.230) 15.364 7.666 ( 7.374 16.565 2.173) 18.262 24.715 ( 2.861 -2.821 29.394) 29.667 26.650 ( -0.653 0.931 1.309) 1.734 27.238 ( -7.195 -0.634 -4.526) 8.524 31.283 ( 3.423 0.178 -31.702) 31.887 97.020 ( 7.334 -10.414 13.855) 18.820 98.544 ( 2.969 5.333 -9.861) 11.597 ======================= Grid point 326 (104/258) ======================= q-point: (-0.08 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.000 -6.129 18.266) 19.267 0.706 ( -0.000 3.440 13.704) 14.129 1.213 ( -0.000 16.178 21.204) 26.671 1.712 ( 0.000 -1.731 -0.989) 1.994 2.013 ( 0.000 -2.381 2.107) 3.179 2.523 ( 0.000 -1.753 -4.199) 4.550 3.137 ( 0.000 -1.844 9.743) 9.916 3.657 ( -0.000 1.284 -7.131) 7.245 3.788 ( 0.000 -0.798 4.599) 4.667 5.225 ( 0.000 -5.422 -4.589) 7.103 6.758 ( 0.000 -20.463 10.226) 22.875 7.591 ( -0.000 23.203 1.211) 23.235 24.776 ( 0.000 -3.401 28.152) 28.356 26.637 ( -0.000 0.675 0.805) 1.051 27.153 ( -0.000 0.476 -3.083) 3.119 31.312 ( -0.000 0.654 -31.672) 31.678 97.208 ( 0.000 -13.481 8.863) 16.133 98.529 ( -0.000 6.644 -9.897) 11.920 ======================= Grid point 329 (105/258) ======================= q-point: ( 0.17 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 10.799 -0.000 0.599) 10.816 1.268 ( 9.115 -0.000 7.211) 11.622 1.584 ( -1.891 0.000 -1.902) 2.682 2.017 ( -0.633 0.000 5.187) 5.226 2.042 ( 10.093 -0.000 3.904) 10.822 2.294 ( -4.016 0.000 -2.660) 4.817 3.652 ( -0.515 0.000 -6.069) 6.090 3.736 ( 5.041 -0.000 3.173) 5.956 4.172 ( 13.544 -0.000 -10.520) 17.150 5.733 ( 3.637 -0.000 6.871) 7.774 6.464 ( -9.899 0.000 -22.899) 24.947 7.139 ( -1.981 0.000 -3.513) 4.033 24.580 ( -1.510 0.000 28.530) 28.570 26.723 ( 1.805 -0.000 7.388) 7.606 27.644 ( 3.368 -0.000 -0.754) 3.452 30.937 ( -6.729 0.000 -28.197) 28.988 96.708 ( -2.861 0.000 13.744) 14.039 98.372 ( -1.051 0.000 -4.764) 4.878 ======================= Grid point 330 (106/258) ======================= q-point: ( 0.25 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 7.227 1.136 0.728) 7.352 1.410 ( 4.818 -0.665 4.825) 6.851 1.564 ( -0.475 -1.355 -2.242) 2.663 2.008 ( 1.127 3.231 5.671) 6.623 2.117 ( -3.251 -1.943 0.551) 3.828 2.311 ( 5.689 -0.764 -2.319) 6.191 3.651 ( 0.296 -0.326 -9.801) 9.811 3.847 ( 6.250 -0.007 2.465) 6.718 4.387 ( 8.187 -0.011 -12.561) 14.994 5.746 ( -4.393 -3.512 3.962) 6.880 6.324 ( -1.775 4.055 -21.649) 22.097 7.113 ( -1.053 -1.010 -6.742) 6.899 24.558 ( -0.828 -0.008 27.927) 27.939 26.755 ( 1.363 -0.111 9.411) 9.510 27.682 ( 0.790 0.393 1.055) 1.376 30.822 ( -4.733 0.204 -27.361) 27.769 96.667 ( -1.410 0.146 12.772) 12.850 98.361 ( -0.133 -0.234 -4.439) 4.448 ======================= Grid point 331 (107/258) ======================= q-point: ( 0.33 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 2.096 3.510 0.943) 4.195 1.462 ( 0.083 0.015 2.620) 2.622 1.589 ( 0.567 -4.655 -1.236) 4.849 1.974 ( -1.982 4.906 4.951) 7.247 2.097 ( 1.260 -1.745 2.057) 2.977 2.410 ( 2.573 -0.957 -4.379) 5.168 3.665 ( 0.734 -0.302 -10.731) 10.760 3.963 ( 5.911 2.043 1.394) 6.407 4.478 ( 1.197 0.298 -14.611) 14.663 5.627 ( -11.306 -8.242 -7.242) 15.754 6.331 ( 5.490 6.549 -10.258) 13.352 7.121 ( 1.557 -0.572 -7.676) 7.854 24.548 ( -0.222 -0.106 27.527) 27.528 26.774 ( 0.485 -0.033 10.391) 10.403 27.672 ( -1.548 0.152 1.593) 2.226 30.762 ( -1.158 -0.013 -26.935) 26.960 96.648 ( -0.590 0.015 12.157) 12.171 98.370 ( 0.919 -0.046 -4.554) 4.646 ======================= Grid point 332 (108/258) ======================= q-point: (-0.58 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -1.229 4.057 -0.576) 4.278 1.424 ( -2.593 1.068 2.694) 3.888 1.631 ( -1.035 -5.860 -1.199) 6.071 1.896 ( -2.020 4.130 6.222) 7.737 2.159 ( 3.642 -0.647 2.177) 4.292 2.410 ( -2.563 0.841 -4.456) 5.208 3.681 ( 0.807 0.192 -8.745) 8.784 4.017 ( 1.542 4.676 1.537) 5.158 4.434 ( -4.415 2.194 -17.039) 17.738 5.473 ( -12.447 -13.556 -13.661) 22.919 6.402 ( 6.867 7.859 -2.194) 10.665 7.189 ( 5.370 0.146 -5.605) 7.763 24.550 ( 0.314 -0.242 27.367) 27.369 26.773 ( -0.482 0.232 9.881) 9.896 27.625 ( -3.422 -0.629 1.044) 3.633 30.782 ( 2.946 -0.622 -27.173) 27.339 96.644 ( 0.055 -0.305 11.960) 11.964 98.397 ( 1.949 0.415 -5.138) 5.510 ======================= Grid point 333 (109/258) ======================= q-point: (-0.50 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -5.371 4.833 -1.100) 7.309 1.371 ( -2.238 2.145 3.431) 4.624 1.629 ( -2.576 -3.983 -2.475) 5.350 1.839 ( -1.815 1.338 5.974) 6.386 2.230 ( 1.246 -1.210 3.799) 4.177 2.317 ( -3.283 3.843 -2.934) 5.844 3.691 ( 0.571 0.901 -4.747) 4.865 3.932 ( -7.174 3.564 3.195) 8.624 4.295 ( -5.885 6.976 -17.725) 19.937 5.357 ( -11.761 -17.672 -16.774) 27.055 6.469 ( 6.119 7.966 2.567) 10.368 7.324 ( 8.909 1.262 -1.224) 9.081 24.563 ( 0.782 -0.438 27.480) 27.495 26.754 ( -1.132 0.602 7.984) 8.086 27.552 ( -4.876 -1.526 -0.228) 5.114 30.880 ( 6.145 -1.244 -28.158) 28.847 96.656 ( 0.800 -0.872 12.259) 12.316 98.438 ( 2.885 1.014 -6.147) 6.866 ======================= Grid point 334 (110/258) ======================= q-point: (-0.42 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -7.167 6.611 -0.498) 9.763 1.273 ( -5.326 5.173 4.692) 8.783 1.615 ( -1.132 -2.904 -3.153) 4.434 1.806 ( -2.277 -2.955 4.104) 5.546 2.117 ( -7.160 5.461 6.333) 11.009 2.347 ( 4.099 -0.102 -0.361) 4.116 3.664 ( -7.364 0.768 0.948) 7.465 3.730 ( -6.482 0.710 2.954) 7.158 4.116 ( -5.713 9.900 -13.890) 17.988 5.272 ( -11.170 -18.088 -18.296) 28.048 6.517 ( 4.420 6.499 5.973) 9.872 7.506 ( 11.216 2.926 3.351) 12.066 24.587 ( 1.215 -0.795 27.906) 27.943 26.724 ( -1.294 0.951 5.367) 5.602 27.459 ( -6.049 -1.992 -1.859) 6.634 31.025 ( 7.387 -1.473 -29.664) 30.606 96.691 ( 1.830 -1.944 13.094) 13.363 98.492 ( 3.676 1.651 -7.513) 8.526 ======================= Grid point 335 (111/258) ======================= q-point: (-0.33 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -7.301 9.098 1.601) 11.775 1.102 ( -7.283 6.362 6.896) 11.877 1.627 ( -0.186 -2.889 -2.407) 3.765 1.779 ( -3.198 -0.449 6.049) 6.857 1.949 ( -4.592 4.555 7.744) 10.090 2.423 ( 3.248 -0.571 -0.751) 3.382 3.403 ( -15.052 -2.127 5.502) 16.167 3.700 ( 0.249 1.675 3.174) 3.597 3.939 ( -5.418 7.499 -8.286) 12.419 5.189 ( -10.633 -15.778 -17.632) 25.940 6.542 ( 2.267 3.917 8.960) 10.038 7.699 ( 11.430 5.050 5.956) 13.843 24.623 ( 1.629 -1.490 28.602) 28.687 26.692 ( -1.062 1.190 2.898) 3.307 27.348 ( -6.755 -1.619 -3.322) 7.699 31.172 ( 6.444 -1.189 -31.238) 31.918 96.761 ( 3.145 -4.157 14.286) 15.207 98.554 ( 4.117 2.326 -9.232) 10.373 ======================= Grid point 336 (112/258) ======================= q-point: (-0.25 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -2.752 8.553 6.919) 11.340 0.914 ( -6.865 6.054 9.701) 13.337 1.626 ( -2.360 7.568 9.214) 12.155 1.663 ( -2.342 2.054 4.975) 5.870 1.919 ( -0.145 -4.564 1.956) 4.968 2.477 ( 1.805 -0.617 -2.187) 2.902 3.173 ( -9.828 -3.188 8.292) 13.248 3.696 ( 0.730 1.941 1.985) 2.871 3.809 ( -3.771 2.422 -1.809) 4.833 5.107 ( -8.136 -12.573 -14.213) 20.646 6.551 ( 0.560 0.418 11.662) 11.683 7.847 ( 8.020 7.894 5.400) 12.481 24.672 ( 1.691 -2.734 29.217) 29.394 26.666 ( -0.601 1.268 1.244) 1.875 27.231 ( -5.691 -0.269 -3.707) 6.797 31.280 ( 3.731 -0.585 -32.419) 32.638 96.876 ( 3.689 -8.290 14.969) 17.504 98.609 ( 3.385 3.170 -11.310) 12.224 ======================= Grid point 337 (113/258) ======================= q-point: (-0.17 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -0.000 2.875 12.121) 12.457 0.779 ( -0.000 6.157 12.065) 13.545 1.471 ( -0.000 17.254 18.668) 25.421 1.673 ( 0.000 -3.446 -0.440) 3.474 1.958 ( 0.000 -4.863 1.072) 4.979 2.500 ( 0.000 -0.980 -3.309) 3.451 3.098 ( 0.000 -3.219 9.708) 10.228 3.687 ( -0.000 2.780 -3.608) 4.555 3.772 ( 0.000 -1.389 4.275) 4.495 5.103 ( 0.000 -10.294 -9.588) 14.067 6.570 ( 0.000 -4.914 12.928) 13.830 7.856 ( -0.000 12.227 2.970) 12.582 24.718 ( 0.000 -3.873 29.204) 29.460 26.651 ( -0.000 1.170 0.718) 1.373 27.163 ( -0.000 0.822 -3.117) 3.224 31.318 ( -0.000 0.023 -32.688) 32.688 97.001 ( 0.000 -12.559 14.031) 18.831 98.618 ( -0.000 4.550 -12.450) 13.255 ======================= Grid point 342 (114/258) ======================= q-point: ( 0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 3.582 -0.000 0.626) 3.636 1.445 ( 0.067 -0.000 4.889) 4.889 1.552 ( -0.675 0.000 -3.271) 3.340 2.020 ( -4.509 0.000 1.972) 4.922 2.075 ( 3.762 -0.000 6.015) 7.094 2.402 ( 3.056 -0.000 -5.600) 6.379 3.662 ( 0.907 -0.000 -10.851) 10.888 3.979 ( 6.811 -0.000 1.444) 6.963 4.481 ( 1.517 -0.000 -14.758) 14.836 5.562 ( -11.968 0.000 -6.633) 13.684 6.381 ( 4.986 -0.000 -10.543) 11.662 7.116 ( 1.878 -0.000 -7.680) 7.907 24.547 ( -0.256 0.000 27.529) 27.530 26.774 ( 0.559 -0.000 10.387) 10.402 27.673 ( -1.787 0.000 1.592) 2.393 30.762 ( -1.337 0.000 -26.934) 26.967 96.648 ( -0.681 0.000 12.158) 12.177 98.370 ( 1.063 -0.000 -4.546) 4.669 ======================= Grid point 343 (115/258) ======================= q-point: (-0.67 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.329 3.390 1.837) 3.870 1.439 ( -2.303 1.108 1.493) 2.960 1.547 ( -1.343 -4.617 -2.385) 5.367 1.942 ( -2.927 1.685 4.700) 5.788 2.150 ( 3.468 -0.407 5.491) 6.507 2.419 ( -1.176 0.289 -7.009) 7.112 3.683 ( 1.164 0.091 -8.786) 8.864 4.068 ( 1.472 1.829 1.706) 2.902 4.466 ( -1.541 1.488 -19.012) 19.132 5.321 ( -14.568 -5.746 -12.077) 19.776 6.484 ( 6.236 2.872 -2.186) 7.205 7.189 ( 5.715 -0.034 -5.450) 7.898 24.548 ( 0.250 -0.104 27.281) 27.283 26.776 ( -0.335 0.080 9.952) 9.958 27.618 ( -3.809 -0.205 1.023) 3.950 30.775 ( 2.653 -0.231 -27.137) 27.267 96.640 ( -0.122 -0.107 11.841) 11.842 98.401 ( 2.171 0.141 -5.221) 5.656 ======================= Grid point 344 (116/258) ======================= q-point: (-0.58 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -4.218 5.632 -1.799) 7.263 1.398 ( -1.109 1.313 3.547) 3.942 1.552 ( -2.364 -5.758 -2.502) 6.709 1.867 ( -3.894 1.775 5.468) 6.944 2.211 ( 1.848 -1.082 5.904) 6.281 2.365 ( -2.527 2.337 -5.150) 6.194 3.702 ( 1.038 0.623 -4.505) 4.665 3.968 ( -10.162 1.353 2.554) 10.565 4.418 ( -0.322 8.557 -21.262) 22.921 5.110 ( -14.256 -14.153 -14.719) 24.904 6.568 ( 5.311 4.833 3.425) 7.956 7.335 ( 9.293 0.366 -0.603) 9.320 24.558 ( 0.653 -0.284 27.220) 27.229 26.761 ( -0.952 0.341 8.143) 8.205 27.534 ( -5.139 -0.797 -0.217) 5.205 30.864 ( 5.940 -0.739 -28.118) 28.748 96.646 ( 0.464 -0.465 11.927) 11.945 98.450 ( 3.096 0.513 -6.390) 7.119 ======================= Grid point 345 (117/258) ======================= q-point: (-0.50 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -4.966 7.449 -1.701) 9.113 1.344 ( -3.153 4.026 3.857) 6.405 1.549 ( -1.917 -5.619 -3.475) 6.879 1.770 ( -5.432 -1.765 3.731) 6.822 2.189 ( -3.429 3.858 7.049) 8.737 2.349 ( 2.464 0.286 -0.643) 2.563 3.676 ( -11.170 0.893 1.408) 11.294 3.735 ( -4.270 -0.035 2.344) 4.872 4.286 ( -5.194 12.528 -16.207) 21.133 4.994 ( -10.679 -18.428 -19.230) 28.695 6.615 ( 3.712 5.893 7.515) 10.246 7.533 ( 11.388 0.976 4.840) 12.412 24.577 ( 0.947 -0.590 27.398) 27.421 26.736 ( -1.129 0.694 5.523) 5.680 27.435 ( -5.858 -1.243 -1.649) 6.212 31.004 ( 7.410 -1.159 -29.727) 30.659 96.667 ( 1.138 -1.205 12.479) 12.588 98.511 ( 3.756 0.909 -7.931) 8.822 ======================= Grid point 346 (118/258) ======================= q-point: (-0.42 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -4.968 10.225 -0.824) 11.397 1.203 ( -6.531 7.073 5.197) 10.940 1.567 ( -0.830 -5.185 -2.698) 5.903 1.710 ( -3.598 -6.548 2.001) 7.735 2.068 ( -3.307 9.049 10.209) 14.037 2.411 ( 2.944 -1.166 0.775) 3.260 3.374 ( -16.141 -1.617 5.166) 17.025 3.723 ( 0.370 1.384 4.681) 4.895 4.061 ( -8.787 8.511 -8.918) 15.139 4.947 ( -7.858 -15.582 -22.258) 28.284 6.625 ( 2.044 6.170 10.527) 12.372 7.746 ( 11.125 1.536 8.601) 14.146 24.603 ( 1.117 -1.139 27.848) 27.893 26.709 ( -0.942 1.028 2.948) 3.261 27.329 ( -5.882 -0.993 -2.832) 6.604 31.153 ( 6.629 -1.259 -31.492) 32.207 96.709 ( 1.786 -2.656 13.423) 13.799 98.579 ( 3.941 1.128 -9.726) 10.555 ======================= Grid point 347 (119/258) ======================= q-point: (-0.33 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -2.746 11.885 1.945) 12.352 1.019 ( -6.127 7.672 7.535) 12.376 1.583 ( -1.246 -5.130 -0.229) 5.284 1.719 ( -0.994 -4.671 2.500) 5.390 1.945 ( -1.452 9.862 11.086) 14.908 2.468 ( 1.886 -0.904 -0.319) 2.115 3.124 ( -10.506 -3.083 8.114) 13.627 3.721 ( 0.598 1.248 5.609) 5.777 3.855 ( -7.087 3.565 -2.379) 8.282 4.919 ( -5.398 -11.776 -21.204) 24.848 6.606 ( 0.737 5.714 12.548) 13.807 7.919 ( 7.496 2.232 9.355) 12.194 24.636 ( 0.983 -2.036 28.464) 28.554 26.686 ( -0.539 1.266 1.171) 1.806 27.229 ( -4.398 0.085 -3.306) 5.503 31.266 ( 3.892 -1.089 -32.840) 33.088 96.775 ( 1.836 -5.167 14.413) 15.421 98.640 ( 3.003 1.171 -11.617) 12.056 ======================= Grid point 348 (120/258) ======================= q-point: (-0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -0.000 10.060 4.941) 11.208 0.886 ( -0.000 7.926 10.072) 12.816 1.609 ( 0.000 -5.104 0.435) 5.123 1.692 ( -0.000 8.920 11.469) 14.529 1.895 ( 0.000 -0.315 4.157) 4.168 2.492 ( 0.000 -0.441 -1.824) 1.877 3.045 ( 0.000 -3.758 9.652) 10.358 3.738 ( -0.000 3.822 0.871) 3.920 3.749 ( 0.000 -1.615 3.830) 4.156 4.941 ( 0.000 -10.511 -17.260) 20.209 6.575 ( -0.000 4.104 13.313) 13.931 7.974 ( -0.000 4.160 7.577) 8.644 24.666 ( 0.000 -2.946 28.949) 29.099 26.671 ( -0.000 1.352 0.598) 1.479 27.177 ( -0.000 0.948 -3.164) 3.303 31.312 ( 0.000 -0.807 -33.259) 33.268 96.847 ( 0.000 -8.011 14.898) 16.915 98.663 ( -0.000 1.672 -12.747) 12.856 ======================= Grid point 355 (121/258) ======================= q-point: (-0.67 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -1.824 0.000 3.098) 3.595 1.405 ( -2.976 0.000 -1.989) 3.579 1.488 ( -2.108 0.000 -1.977) 2.890 1.881 ( -4.661 0.000 4.988) 6.827 2.202 ( 2.064 -0.000 6.889) 7.192 2.383 ( -2.161 0.000 -5.948) 6.328 3.707 ( 1.244 -0.000 -4.375) 4.549 3.977 ( -11.209 0.000 2.116) 11.407 4.500 ( 3.787 -0.000 -24.412) 24.704 4.986 ( -17.332 0.000 -11.812) 20.975 6.606 ( 5.074 -0.000 3.603) 6.223 7.337 ( 9.385 -0.000 -0.393) 9.394 24.556 ( 0.611 -0.000 27.124) 27.131 26.764 ( -0.884 0.000 8.202) 8.250 27.528 ( -5.230 0.000 -0.222) 5.234 30.859 ( 5.861 -0.000 -28.101) 28.706 96.642 ( 0.352 -0.000 11.808) 11.813 98.454 ( 3.157 -0.000 -6.472) 7.201 ======================= Grid point 357 (122/258) ======================= q-point: (-0.58 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -3.147 7.066 -2.249) 8.056 1.380 ( -1.384 -0.254 2.389) 2.772 1.462 ( -2.596 -4.703 -2.478) 5.916 1.752 ( -8.470 -0.629 3.435) 9.161 2.228 ( 0.626 1.295 7.912) 8.042 2.354 ( -0.171 0.236 -1.245) 1.278 3.688 ( -15.936 0.575 2.381) 16.123 3.731 ( -0.146 -0.297 1.322) 1.362 4.489 ( -4.670 14.387 -19.644) 24.792 4.730 ( -10.752 -16.477 -17.303) 26.201 6.679 ( 3.427 2.285 8.010) 9.007 7.541 ( 11.295 0.155 5.625) 12.619 24.570 ( 0.818 -0.219 27.102) 27.116 26.743 ( -1.033 0.254 5.619) 5.719 27.422 ( -5.723 -0.415 -1.584) 5.953 30.992 ( 7.403 -0.439 -29.750) 30.661 96.655 ( 0.824 -0.403 12.140) 12.174 98.520 ( 3.724 0.280 -8.127) 8.944 ======================= Grid point 358 (123/258) ======================= q-point: (-0.50 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -2.726 10.057 -2.236) 10.657 1.307 ( -4.577 6.255 3.986) 8.716 1.472 ( -1.105 -7.222 -3.314) 8.022 1.610 ( -7.259 -6.247 2.316) 9.853 2.193 ( -0.575 7.155 9.228) 11.691 2.384 ( 1.891 -2.491 2.302) 3.884 3.355 ( -16.946 -0.840 5.019) 17.694 3.740 ( 0.418 0.734 5.414) 5.480 4.185 ( -13.951 7.481 -6.466) 17.100 4.741 ( -2.527 -11.263 -27.783) 30.086 6.706 ( 1.921 4.116 11.170) 12.058 7.756 ( 10.581 0.067 10.370) 14.815 24.590 ( 0.849 -0.613 27.276) 27.296 26.722 ( -0.854 0.593 2.989) 3.165 27.318 ( -5.262 -0.446 -2.643) 5.905 31.137 ( 6.719 -0.797 -31.631) 32.347 96.680 ( 1.148 -1.261 12.797) 12.910 98.590 ( 3.645 0.396 -9.936) 10.591 ======================= Grid point 359 (124/258) ======================= q-point: (-0.42 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.851 12.667 -1.031) 12.843 1.141 ( -5.398 8.504 5.875) 11.660 1.494 ( -2.114 -6.702 0.611) 7.054 1.598 ( -1.045 -9.857 -0.918) 9.955 2.115 ( -0.217 11.109 11.244) 15.808 2.442 ( 1.707 -2.706 2.122) 3.840 3.084 ( -11.235 -2.180 7.980) 13.952 3.733 ( -0.597 0.469 6.154) 6.201 3.909 ( -9.221 3.346 1.520) 9.926 4.769 ( -1.882 -7.933 -28.900) 30.029 6.695 ( 0.780 5.489 13.068) 14.195 7.930 ( 6.778 -0.287 12.420) 14.152 24.612 ( 0.634 -1.228 27.652) 27.687 26.703 ( -0.483 0.926 1.108) 1.523 27.232 ( -3.523 0.193 -3.162) 4.738 31.250 ( 3.974 -0.986 -33.092) 33.344 96.717 ( 1.021 -2.706 13.582) 13.886 98.649 ( 2.531 0.202 -11.578) 11.853 ======================= Grid point 360 (125/258) ======================= q-point: (-0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -0.000 12.834 0.384) 12.839 1.013 ( -0.000 8.852 8.115) 12.009 1.521 ( 0.000 -6.622 1.573) 6.806 1.663 ( 0.000 -8.359 -0.749) 8.392 2.022 ( -0.000 12.623 12.240) 17.583 2.478 ( 0.000 -1.730 0.527) 1.809 2.990 ( 0.000 -3.290 9.585) 10.134 3.725 ( 0.000 -1.407 3.380) 3.661 3.796 ( -0.000 3.709 6.106) 7.144 4.803 ( 0.000 -7.658 -26.048) 27.150 6.658 ( -0.000 6.152 13.624) 14.948 8.001 ( -0.000 0.065 11.721) 11.721 24.630 ( 0.000 -1.883 28.110) 28.173 26.690 ( -0.000 1.172 0.478) 1.265 27.191 ( -0.000 0.819 -3.211) 3.314 31.297 ( 0.000 -1.062 -33.575) 33.592 96.755 ( 0.000 -4.407 14.186) 14.855 98.675 ( -0.000 0.192 -12.450) 12.451 ======================= Grid point 369 (126/258) ======================= q-point: (-0.58 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -1.074 0.000 -2.627) 2.838 1.340 ( -1.127 0.000 0.797) 1.380 1.393 ( -2.497 0.000 -1.330) 2.829 1.551 ( -10.901 0.000 3.069) 11.325 2.260 ( 1.571 -0.000 9.024) 9.160 2.353 ( 0.319 -0.000 2.633) 2.653 3.349 ( -17.244 0.000 4.981) 17.949 3.745 ( 0.434 -0.000 5.617) 5.633 4.252 ( -18.739 0.000 -2.483) 18.903 4.645 ( 2.409 -0.000 -32.794) 32.882 6.738 ( 1.894 -0.000 11.357) 11.514 7.755 ( 10.336 -0.000 10.988) 15.086 24.585 ( 0.768 -0.000 27.064) 27.075 26.726 ( -0.822 0.000 3.005) 3.115 27.315 ( -5.041 0.000 -2.599) 5.671 31.131 ( 6.745 -0.000 -31.677) 32.387 96.671 ( 0.965 -0.000 12.575) 12.612 98.593 ( 3.517 -0.000 -9.993) 10.594 ======================= Grid point 371 (127/258) ======================= q-point: (-0.50 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -0.694 11.069 -1.899) 11.252 1.273 ( -4.377 9.209 3.975) 10.944 1.384 ( -2.731 -7.665 0.928) 8.190 1.439 ( -2.394 -11.034 -0.772) 11.317 2.260 ( 1.212 7.592 9.256) 12.033 2.385 ( 1.022 -4.574 4.428) 6.447 3.061 ( -11.716 -0.779 7.913) 14.159 3.737 ( -1.525 0.102 5.856) 6.052 3.946 ( -10.522 1.366 5.811) 12.097 4.687 ( 0.630 -2.786 -34.714) 34.831 6.756 ( 0.802 2.192 13.343) 13.545 7.922 ( 6.318 -0.418 14.063) 15.423 24.599 ( 0.495 -0.410 27.160) 27.167 26.712 ( -0.451 0.339 1.073) 1.212 27.234 ( -3.091 0.090 -3.123) 4.395 31.239 ( 4.012 -0.389 -33.221) 33.465 96.691 ( 0.719 -0.834 13.085) 13.131 98.650 ( 2.253 -0.019 -11.518) 11.736 ======================= Grid point 372 (128/258) ======================= q-point: (-0.42 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.000 13.160 -1.770) 13.278 1.148 ( -0.000 9.040 6.348) 11.046 1.412 ( 0.000 -7.828 2.882) 8.342 1.513 ( 0.000 -11.109 -2.617) 11.413 2.201 ( -0.000 10.679 10.280) 14.823 2.434 ( 0.000 -4.237 3.397) 5.431 2.950 ( 0.000 -1.915 9.527) 9.718 3.708 ( 0.000 -0.815 3.048) 3.156 3.843 ( -0.000 2.273 11.029) 11.261 4.715 ( 0.000 -3.900 -33.514) 33.741 6.739 ( -0.000 4.127 13.936) 14.534 7.991 ( 0.000 -0.922 14.415) 14.444 24.609 ( 0.000 -0.915 27.385) 27.400 26.704 ( -0.000 0.677 0.390) 0.781 27.200 ( -0.000 0.472 -3.245) 3.279 31.283 ( 0.000 -0.708 -33.770) 33.778 96.709 ( 0.000 -1.924 13.468) 13.605 98.674 ( 0.000 -0.181 -12.198) 12.199 ======================= Grid point 384 (129/258) ======================= q-point: ( 0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.000 0.000 5.589) 5.589 1.303 ( 0.000 -0.000 3.497) 3.497 1.314 ( -0.000 0.000 -0.937) 0.937 1.353 ( 0.000 -0.000 -4.498) 4.498 2.319 ( 0.000 -0.000 8.710) 8.710 2.365 ( -0.000 0.000 5.103) 5.103 2.936 ( -0.000 0.000 9.505) 9.505 3.702 ( -0.000 0.000 2.926) 2.926 3.860 ( -0.000 0.000 13.172) 13.172 4.686 ( -0.000 0.000 -36.560) 36.560 6.771 ( -0.000 0.000 14.054) 14.054 7.983 ( -0.000 0.000 15.351) 15.351 24.603 ( -0.000 0.000 27.111) 27.111 26.709 ( -0.000 0.000 0.358) 0.358 27.204 ( -0.000 0.000 -3.257) 3.257 31.278 ( -0.000 0.000 -33.840) 33.840 96.695 ( -0.000 0.000 13.201) 13.201 98.672 ( -0.000 0.000 -12.111) 12.111 ======================= Grid point 453 (130/258) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.000 0.000 11.814) 11.814 1.184 ( 0.000 0.000 19.404) 19.404 1.481 ( 0.000 0.000 18.179) 18.179 1.684 ( 0.000 0.000 -2.810) 2.810 2.098 ( 0.000 0.000 3.628) 3.628 2.425 ( 0.000 0.000 -6.267) 6.267 3.378 ( 0.000 0.000 11.660) 11.660 3.528 ( 0.000 0.000 -1.731) 1.731 3.889 ( 0.000 0.000 4.015) 4.015 5.132 ( 0.000 0.000 -10.366) 10.366 7.131 ( 0.000 0.000 3.918) 3.918 7.409 ( 0.000 0.000 6.329) 6.329 25.486 ( 0.000 0.000 38.207) 38.207 26.658 ( 0.000 0.000 1.792) 1.792 27.073 ( 0.000 0.000 -4.223) 4.223 30.537 ( 0.000 0.000 -42.493) 42.493 97.422 ( 0.000 0.000 5.377) 5.377 98.301 ( 0.000 0.000 -8.856) 8.856 ======================= Grid point 454 (131/258) ======================= q-point: ( 0.08 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -2.094 0.053 13.074) 13.241 1.180 ( 2.596 4.253 17.788) 18.473 1.606 ( 7.391 -6.828 14.897) 17.977 1.670 ( -1.006 -0.124 -1.925) 2.175 2.096 ( 0.706 2.627 3.219) 4.215 2.410 ( -1.584 -0.399 -5.595) 5.828 3.426 ( 5.093 0.942 8.218) 9.714 3.555 ( 2.493 -0.763 0.048) 2.607 3.854 ( -3.288 0.038 3.477) 4.785 5.180 ( 5.930 3.824 -11.550) 13.534 6.999 ( -7.503 9.864 5.559) 13.583 7.435 ( -4.486 -13.534 3.160) 14.604 25.453 ( -2.708 0.997 38.703) 38.810 26.679 ( 1.937 -0.305 2.433) 3.125 27.145 ( 6.777 0.002 -4.640) 8.213 30.512 ( -2.467 0.283 -42.295) 42.368 97.344 ( -5.969 3.054 8.275) 10.651 98.300 ( -0.660 -1.367 -8.941) 9.069 ======================= Grid point 455 (132/258) ======================= q-point: ( 0.17 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 2.965 -0.412 11.665) 12.043 1.232 ( 4.560 1.123 14.083) 14.846 1.626 ( -1.715 0.918 -2.118) 2.875 1.831 ( 8.489 -6.739 11.407) 15.735 2.083 ( 0.777 4.304 2.486) 5.031 2.375 ( -2.664 -1.183 -3.828) 4.811 3.540 ( 6.724 1.710 -1.176) 7.037 3.640 ( 5.778 -0.975 5.100) 7.768 3.779 ( -4.688 -1.906 1.598) 5.307 5.281 ( 8.504 7.979 -14.550) 18.646 6.749 ( -11.850 5.025 5.436) 13.972 7.403 ( -8.899 -12.360 -0.535) 15.240 25.384 ( -3.119 1.232 39.179) 39.323 26.736 ( 3.555 -0.585 4.214) 5.545 27.304 ( 9.149 0.678 -4.409) 10.178 30.440 ( -4.552 0.708 -41.629) 41.883 97.191 ( -6.423 3.319 12.493) 14.434 98.293 ( -1.214 -1.495 -8.752) 8.961 ======================= Grid point 456 (133/258) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 7.311 -1.790 7.020) 10.293 1.326 ( 5.090 -0.362 9.957) 11.188 1.593 ( -0.921 0.254 -1.598) 1.862 1.990 ( 3.499 1.865 5.066) 6.434 2.099 ( 4.148 -1.848 4.378) 6.308 2.326 ( -3.344 -1.498 -1.592) 3.995 3.613 ( 0.444 1.366 -2.953) 3.284 3.733 ( -0.047 -4.235 -2.090) 4.723 3.798 ( 8.777 -0.252 1.674) 8.939 5.371 ( 8.181 12.077 -19.595) 24.428 6.489 ( -13.356 -2.490 4.940) 14.456 7.288 ( -10.647 -8.593 -3.733) 14.182 25.321 ( -2.441 1.023 39.091) 39.180 26.820 ( 4.464 -0.765 6.733) 8.115 27.468 ( 8.310 1.448 -2.877) 8.912 30.332 ( -5.690 1.086 -40.522) 40.934 97.064 ( -4.316 2.412 14.498) 15.318 98.278 ( -1.275 -1.145 -8.230) 8.406 ======================= Grid point 457 (134/258) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 7.152 -1.465 3.500) 8.096 1.415 ( 3.530 -0.006 5.464) 6.505 1.604 ( 1.842 -1.799 -0.165) 2.580 1.985 ( 0.601 4.698 2.578) 5.393 2.197 ( 0.135 -2.222 1.464) 2.664 2.295 ( 0.941 -2.485 1.838) 3.230 3.562 ( -3.958 -1.262 -3.849) 5.664 3.807 ( 3.505 -2.756 -2.688) 5.206 3.971 ( 8.463 0.155 -6.484) 10.663 5.404 ( 5.136 13.713 -26.572) 30.339 6.294 ( -10.328 -7.817 6.505) 14.494 7.138 ( -9.685 -4.958 -6.579) 12.715 25.276 ( -1.588 0.678 38.812) 38.851 26.912 ( 4.246 -0.765 9.396) 10.339 27.595 ( 5.935 1.720 -1.034) 6.265 30.214 ( -5.328 1.136 -39.266) 39.642 96.986 ( -2.362 1.517 14.994) 15.255 98.263 ( -0.954 -0.769 -7.664) 7.762 ======================= Grid point 458 (135/258) ======================= q-point: ( 0.42 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 3.432 -0.226 2.304) 4.139 1.463 ( 1.891 0.391 2.783) 3.387 1.682 ( 3.437 -3.071 0.236) 4.615 1.962 ( 0.157 3.297 3.296) 4.665 2.152 ( -3.275 -0.446 0.617) 3.362 2.370 ( 2.769 -1.898 0.497) 3.393 3.504 ( -2.760 -1.165 -6.286) 6.963 3.883 ( 2.297 -1.621 -1.834) 3.356 4.105 ( 5.131 0.167 -12.813) 13.804 5.375 ( 1.359 8.965 -31.642) 32.915 6.209 ( -4.405 -6.345 8.129) 11.213 7.007 ( -6.064 -2.081 -8.646) 10.763 25.249 ( -0.771 0.326 38.610) 38.619 26.986 ( 2.651 -0.503 11.485) 11.798 27.671 ( 2.998 1.188 0.280) 3.237 30.121 ( -3.264 0.732 -38.289) 38.435 96.945 ( -1.014 0.746 14.999) 15.052 98.253 ( -0.487 -0.396 -7.259) 7.286 ======================= Grid point 459 (136/258) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 0.000 -0.000 2.165) 2.165 1.482 ( -0.000 -0.000 2.316) 2.316 1.738 ( 0.000 0.000 -0.572) 0.572 1.947 ( 0.000 -0.000 4.360) 4.360 2.118 ( 0.000 -0.000 0.824) 0.824 2.405 ( 0.000 -0.000 -0.923) 0.923 3.480 ( 0.000 -0.000 -7.373) 7.373 3.912 ( 0.000 -0.000 -1.561) 1.561 4.156 ( 0.000 -0.000 -15.161) 15.161 5.350 ( 0.000 0.000 -32.951) 32.951 6.194 ( 0.000 -0.000 8.389) 8.389 6.953 ( 0.000 -0.000 -9.425) 9.425 25.241 ( 0.000 -0.000 38.544) 38.544 27.015 ( 0.000 -0.000 12.291) 12.291 27.695 ( 0.000 -0.000 0.735) 0.735 30.085 ( 0.000 -0.000 -37.925) 37.925 96.933 ( 0.000 -0.000 14.963) 14.963 98.250 ( 0.000 -0.000 -7.115) 7.115 ======================= Grid point 467 (137/258) ======================= q-point: ( 0.08 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 2.511 -0.000 11.789) 12.053 1.244 ( 3.396 -0.000 15.938) 16.296 1.635 ( -2.062 0.000 -1.910) 2.811 1.773 ( 10.655 -0.000 11.256) 15.499 2.120 ( 0.549 -0.000 3.821) 3.861 2.364 ( -2.929 0.000 -5.623) 6.341 3.553 ( 6.719 -0.000 -1.554) 6.896 3.634 ( 6.298 -0.000 5.917) 8.642 3.763 ( -5.707 0.000 1.744) 5.967 5.340 ( 8.537 -0.000 -13.311) 15.813 6.808 ( -15.065 0.000 0.920) 15.093 7.288 ( -5.715 0.000 1.944) 6.037 25.394 ( -3.365 0.000 39.219) 39.363 26.731 ( 3.565 -0.000 4.236) 5.536 27.309 ( 9.377 -0.000 -4.584) 10.437 30.445 ( -4.508 0.000 -41.445) 41.690 97.217 ( -7.238 0.000 12.023) 14.034 98.280 ( -0.886 0.000 -8.203) 8.251 ======================= Grid point 468 (138/258) ======================= q-point: ( 0.17 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 7.078 -0.624 7.565) 10.378 1.327 ( 5.093 0.202 11.742) 12.800 1.595 ( -1.735 0.076 -0.947) 1.978 1.978 ( 9.013 -1.518 7.517) 11.834 2.116 ( 0.124 1.916 3.686) 4.156 2.303 ( -3.638 -1.147 -4.156) 5.641 3.636 ( -3.116 1.626 -1.636) 3.877 3.681 ( 2.598 -2.525 -1.981) 4.129 3.796 ( 9.462 -0.057 1.216) 9.540 5.491 ( 8.128 3.909 -16.662) 18.947 6.483 ( -16.795 0.685 -0.011) 16.809 7.181 ( -7.442 -4.444 -2.624) 9.056 25.332 ( -2.766 0.371 39.243) 39.342 26.812 ( 4.518 -0.278 6.754) 8.130 27.484 ( 8.450 0.560 -3.117) 9.024 30.343 ( -5.712 0.383 -40.381) 40.785 97.090 ( -5.176 0.963 14.373) 15.307 98.265 ( -0.921 -0.495 -7.670) 7.741 ======================= Grid point 469 (139/258) ======================= q-point: ( 0.25 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 8.116 -0.943 3.553) 8.909 1.422 ( 4.434 0.638 6.381) 7.797 1.579 ( -0.018 -1.300 0.969) 1.621 2.061 ( 0.983 4.966 3.609) 6.217 2.161 ( 2.722 -2.379 2.441) 4.362 2.255 ( -1.183 -2.728 -0.756) 3.069 3.542 ( -4.737 -1.195 -4.372) 6.555 3.782 ( 4.991 -0.762 -0.276) 5.056 3.975 ( 8.616 0.232 -7.262) 11.271 5.564 ( 2.522 7.153 -25.165) 26.283 6.209 ( -10.751 -3.303 4.267) 12.029 7.068 ( -7.272 -3.886 -6.554) 10.533 25.284 ( -1.905 0.361 38.981) 39.029 26.903 ( 4.390 -0.441 9.394) 10.378 27.617 ( 5.739 1.051 -1.182) 5.953 30.227 ( -5.548 0.640 -39.243) 39.639 97.005 ( -3.017 0.936 15.083) 15.410 98.253 ( -0.656 -0.511 -7.232) 7.280 ======================= Grid point 470 (140/258) ======================= q-point: ( 0.33 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 4.900 0.688 1.907) 5.303 1.476 ( 2.121 1.048 2.130) 3.183 1.622 ( 1.974 -4.048 2.491) 5.147 2.036 ( 0.929 5.695 3.096) 6.549 2.139 ( -3.314 -1.124 0.424) 3.525 2.328 ( 3.127 -3.563 0.190) 4.744 3.482 ( -2.429 -1.516 -6.855) 7.429 3.874 ( 4.029 0.172 -0.271) 4.042 4.109 ( 5.155 0.338 -13.045) 14.031 5.469 ( -6.909 3.355 -31.300) 32.229 6.147 ( 1.318 -1.733 7.540) 7.848 6.973 ( -4.388 -2.194 -8.879) 10.145 25.253 ( -1.061 0.170 38.715) 38.730 26.979 ( 2.931 -0.388 11.460) 11.835 27.687 ( 2.361 0.973 0.241) 2.565 30.130 ( -3.720 0.524 -38.322) 38.506 96.956 ( -1.567 0.573 15.099) 15.191 98.248 ( -0.205 -0.328 -7.014) 7.025 ======================= Grid point 471 (141/258) ======================= q-point: ( 0.42 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.654 1.762 1.740) 2.561 1.492 ( 0.206 1.193 2.157) 2.474 1.686 ( 0.136 -5.436 0.790) 5.495 2.003 ( 0.105 5.979 4.112) 7.257 2.109 ( 0.041 -0.912 0.190) 0.933 2.387 ( 0.468 -2.429 -1.178) 2.740 3.473 ( 0.624 -0.807 -7.600) 7.669 3.927 ( 2.068 1.771 -2.095) 3.436 4.158 ( -0.022 0.289 -14.776) 14.779 5.313 ( -8.538 -4.369 -30.607) 32.074 6.225 ( 6.324 3.532 6.384) 9.655 6.949 ( 1.220 -0.468 -9.385) 9.475 25.240 ( -0.282 -0.102 38.545) 38.546 27.015 ( 0.388 -0.050 12.281) 12.288 27.696 ( -0.907 0.159 0.742) 1.182 30.085 ( -0.593 -0.009 -37.924) 37.929 96.933 ( -0.546 0.015 14.962) 14.972 98.250 ( 0.286 -0.028 -7.108) 7.114 ======================= Grid point 472 (142/258) ======================= q-point: (-0.50 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -2.670 1.577 1.868) 3.620 1.469 ( -1.450 1.080 3.086) 3.576 1.686 ( -3.409 -2.824 -0.554) 4.461 1.960 ( -0.794 3.014 3.926) 5.013 2.152 ( 3.529 -0.246 -0.085) 3.539 2.382 ( -1.955 -0.352 0.323) 2.013 3.514 ( 3.156 0.268 -6.175) 6.939 3.923 ( -0.481 3.467 -4.873) 5.999 4.105 ( -5.036 0.221 -11.592) 12.640 5.216 ( -7.725 -11.444 -28.639) 31.793 6.322 ( 8.216 8.047 6.052) 12.996 7.033 ( 7.589 1.341 -8.216) 11.265 25.244 ( 0.447 -0.436 38.490) 38.495 26.994 ( -2.301 0.466 11.505) 11.742 27.654 ( -3.751 -1.019 0.322) 3.900 30.109 ( 2.726 -0.749 -38.245) 38.349 96.934 ( 0.415 -0.706 14.879) 14.901 98.259 ( 0.769 0.338 -7.519) 7.566 ======================= Grid point 473 (143/258) ======================= q-point: (-0.42 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -6.071 2.006 2.898) 7.020 1.426 ( -2.290 1.394 4.585) 5.312 1.620 ( -3.598 -0.244 -1.135) 3.780 1.933 ( -1.461 -1.781 2.330) 3.276 2.222 ( 2.648 1.148 0.584) 2.945 2.328 ( -2.031 1.767 3.113) 4.116 3.578 ( 3.304 0.838 -4.006) 5.260 3.863 ( -2.351 4.194 -7.080) 8.558 3.973 ( -7.838 0.685 -4.159) 8.899 5.173 ( -7.896 -16.320 -25.583) 31.356 6.429 ( 9.946 9.649 6.710) 15.397 7.206 ( 11.929 4.011 -6.015) 13.949 25.264 ( 1.176 -0.869 38.575) 38.603 26.925 ( -4.034 0.885 9.403) 10.270 27.568 ( -6.194 -1.831 -0.874) 6.517 30.195 ( 5.004 -1.352 -39.280) 39.620 96.962 ( 1.584 -1.611 14.845) 15.016 98.275 ( 1.249 0.727 -8.193) 8.319 ======================= Grid point 474 (144/258) ======================= q-point: (-0.33 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -7.084 2.850 5.677) 9.515 1.344 ( -4.762 2.091 7.689) 9.282 1.584 ( -0.366 -1.097 -2.270) 2.548 1.929 ( -1.714 -4.879 1.753) 5.460 2.165 ( -4.402 5.591 6.422) 9.585 2.344 ( 3.231 0.923 0.153) 3.364 3.597 ( -2.170 -0.578 -4.814) 5.312 3.796 ( -3.023 1.437 -0.582) 3.398 3.814 ( -4.381 4.519 0.027) 6.294 5.143 ( -8.549 -17.510 -21.130) 28.743 6.564 ( 10.384 7.098 8.308) 15.074 7.414 ( 13.511 7.663 -3.681) 15.963 25.303 ( 1.917 -1.424 38.802) 38.875 26.834 ( -4.371 1.057 6.702) 8.071 27.443 ( -8.033 -1.806 -2.544) 8.617 30.311 ( 5.612 -1.567 -40.725) 41.140 97.023 ( 3.115 -2.873 14.589) 15.192 98.296 ( 1.657 1.167 -9.040) 9.265 ======================= Grid point 475 (145/258) ======================= q-point: (-0.25 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -3.999 1.868 10.359) 11.260 1.227 ( -5.796 0.826 10.659) 12.161 1.608 ( 1.346 -1.594 -2.475) 3.237 1.914 ( -3.513 0.168 6.179) 7.110 2.040 ( -3.266 2.440 5.849) 7.130 2.393 ( 2.457 1.192 -1.461) 3.098 3.507 ( -7.124 -2.425 -0.465) 7.540 3.667 ( -4.853 2.707 3.249) 6.437 3.814 ( 2.750 2.552 1.121) 3.916 5.103 ( -8.212 -15.276 -16.183) 23.721 6.717 ( 8.537 1.382 10.659) 13.726 7.593 ( 12.031 11.907 -1.939) 17.038 25.359 ( 2.510 -2.062 39.012) 39.147 26.748 ( -3.533 1.015 4.156) 5.548 27.291 ( -8.523 -1.006 -4.020) 9.477 30.424 ( 4.633 -1.361 -42.065) 42.341 97.127 ( 4.683 -4.736 13.393) 14.958 98.319 ( 1.755 1.768 -9.912) 10.220 ======================= Grid point 476 (146/258) ======================= q-point: (-0.17 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 2.145 -0.643 13.754) 13.935 1.116 ( -6.020 -2.423 13.623) 15.089 1.647 ( 1.346 -1.257 -1.997) 2.717 1.773 ( -4.536 11.377 14.124) 18.695 2.029 ( -0.784 -5.413 1.510) 5.675 2.421 ( 1.291 0.943 -2.995) 3.396 3.399 ( -5.165 -2.539 8.335) 10.129 3.580 ( -2.196 2.581 -1.000) 3.533 3.853 ( 1.943 -0.233 3.229) 3.776 5.065 ( -5.614 -11.345 -12.138) 17.538 6.865 ( 4.953 -5.497 12.312) 14.365 7.678 ( 7.063 16.118 -0.787) 17.615 25.425 ( 2.245 -2.552 38.844) 38.992 26.687 ( -1.944 0.833 2.373) 3.179 27.145 ( -6.237 0.058 -4.480) 7.680 30.503 ( 2.551 -0.918 -42.834) 42.919 97.265 ( 4.499 -6.728 10.441) 13.211 98.332 ( 1.170 2.505 -10.461) 10.821 ======================= Grid point 477 (147/258) ======================= q-point: (-0.08 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.000 2.160 11.453) 11.655 1.076 ( 0.000 -9.835 18.461) 20.918 1.619 ( -0.000 13.839 17.420) 22.248 1.675 ( 0.000 -1.174 -2.599) 2.851 2.060 ( 0.000 -4.666 2.110) 5.121 2.429 ( -0.000 0.475 -4.534) 4.559 3.364 ( 0.000 -1.865 11.658) 11.806 3.542 ( -0.000 1.830 -2.230) 2.885 3.881 ( 0.000 -1.123 3.898) 4.056 5.076 ( 0.000 -7.441 -10.519) 12.885 6.980 ( 0.000 -11.128 10.900) 15.577 7.614 ( -0.000 18.487 0.848) 18.506 25.469 ( 0.000 -2.237 38.425) 38.490 26.663 ( -0.000 0.582 1.757) 1.851 27.077 ( -0.000 0.439 -4.236) 4.259 30.534 ( 0.000 -0.524 -42.846) 42.849 97.368 ( 0.000 -6.549 7.297) 9.805 98.324 ( -0.000 2.661 -10.044) 10.391 ======================= Grid point 480 (148/258) ======================= q-point: ( 0.17 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 8.514 -0.000 3.512) 9.211 1.428 ( 4.719 -0.000 6.721) 8.212 1.569 ( -0.739 0.000 1.518) 1.688 2.119 ( -0.111 0.000 4.500) 4.501 2.128 ( 5.652 -0.000 4.027) 6.940 2.229 ( -2.709 0.000 -3.575) 4.486 3.533 ( -4.977 0.000 -4.685) 6.835 3.778 ( 5.498 -0.000 0.545) 5.525 3.977 ( 8.676 -0.000 -7.446) 11.434 5.617 ( 1.313 -0.000 -23.368) 23.405 6.187 ( -10.944 0.000 2.054) 11.135 7.036 ( -6.099 0.000 -6.350) 8.805 25.286 ( -2.025 0.000 39.041) 39.094 26.900 ( 4.440 -0.000 9.394) 10.390 27.625 ( 5.665 -0.000 -1.243) 5.800 30.232 ( -5.625 0.000 -39.232) 39.633 97.012 ( -3.279 0.000 15.110) 15.461 98.249 ( -0.526 0.000 -7.063) 7.083 ======================= Grid point 481 (149/258) ======================= q-point: ( 0.25 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 6.712 0.575 1.210) 6.845 1.486 ( 1.489 0.198 0.540) 1.596 1.579 ( 1.009 -1.442 5.400) 5.680 2.114 ( 1.439 3.884 4.246) 5.931 2.124 ( -3.314 -0.587 -0.053) 3.366 2.273 ( 3.137 -3.085 -1.055) 4.525 3.465 ( -2.140 -0.660 -7.336) 7.670 3.879 ( 4.935 0.306 0.243) 4.950 4.114 ( 5.208 0.205 -12.886) 13.901 5.489 ( -12.260 0.179 -28.254) 30.800 6.143 ( 4.941 0.397 4.495) 6.691 6.947 ( -3.178 -1.009 -8.906) 9.509 25.255 ( -1.232 0.048 38.776) 38.796 26.975 ( 3.083 -0.146 11.443) 11.852 27.698 ( 1.999 0.378 0.215) 2.046 30.136 ( -3.980 0.189 -38.339) 38.545 96.962 ( -1.901 0.216 15.154) 15.275 98.244 ( -0.025 -0.129 -6.864) 6.865 ======================= Grid point 482 (150/258) ======================= q-point: ( 0.33 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 1.536 3.116 0.750) 3.554 1.506 ( 0.414 -0.021 0.532) 0.674 1.608 ( -0.284 -4.097 3.903) 5.666 2.070 ( -1.988 0.514 4.046) 4.537 2.123 ( 2.651 4.838 0.107) 5.518 2.335 ( 0.512 -4.185 -2.253) 4.780 3.461 ( 1.213 -0.673 -8.022) 8.141 3.955 ( 3.313 1.546 -3.511) 5.069 4.164 ( 0.104 0.452 -13.716) 13.724 5.244 ( -13.307 -4.062 -26.814) 30.208 6.280 ( 9.321 3.195 3.298) 10.391 6.941 ( 2.213 -0.515 -9.295) 9.568 25.238 ( -0.490 -0.101 38.549) 38.552 27.014 ( 0.669 -0.049 12.262) 12.280 27.699 ( -1.567 0.158 0.756) 1.747 30.085 ( -1.026 -0.009 -37.921) 37.935 96.933 ( -0.947 0.015 14.960) 14.990 98.250 ( 0.496 -0.028 -7.095) 7.112 ======================= Grid point 483 (151/258) ======================= q-point: (-0.58 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -2.286 3.147 0.785) 3.968 1.490 ( -1.255 1.294 2.792) 3.324 1.619 ( -2.405 -5.042 0.826) 5.647 2.020 ( -2.307 3.436 4.960) 6.460 2.158 ( 3.939 1.872 -2.053) 4.820 2.359 ( -0.825 -2.796 -0.205) 2.922 3.515 ( 3.818 -0.018 -6.477) 7.518 3.973 ( -0.139 2.644 -10.390) 10.722 4.115 ( -4.090 1.225 -8.258) 9.297 5.054 ( -11.536 -9.511 -24.959) 29.094 6.433 ( 9.911 6.274 4.063) 12.413 7.047 ( 8.697 0.594 -7.755) 11.667 25.237 ( 0.176 -0.390 38.387) 38.390 27.000 ( -1.974 0.315 11.512) 11.684 27.641 ( -4.418 -0.637 0.357) 4.478 30.099 ( 2.253 -0.558 -38.201) 38.272 96.925 ( -0.076 -0.494 14.770) 14.779 98.263 ( 0.982 0.214 -7.725) 7.790 ======================= Grid point 484 (152/258) ======================= q-point: (-0.50 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -5.096 3.131 1.627) 6.198 1.452 ( -1.409 1.808 3.879) 4.506 1.589 ( -3.792 -3.512 -0.901) 5.246 1.934 ( -3.977 1.496 2.474) 4.917 2.236 ( 4.279 0.881 -0.663) 4.419 2.345 ( -1.168 0.477 3.515) 3.734 3.591 ( 3.734 1.088 -4.480) 5.933 3.903 ( -5.592 0.418 -13.140) 14.286 4.011 ( -3.838 4.688 -1.182) 6.173 4.935 ( -10.349 -14.783 -23.018) 29.248 6.568 ( 9.736 8.352 6.252) 14.270 7.255 ( 13.493 2.459 -5.145) 14.649 25.251 ( 0.788 -0.829 38.331) 38.348 26.938 ( -3.799 0.766 9.416) 10.182 27.543 ( -6.451 -1.454 -0.758) 6.656 30.175 ( 4.656 -1.203 -39.276) 39.569 96.939 ( 0.916 -1.291 14.671) 14.756 98.284 ( 1.440 0.509 -8.660) 8.794 ======================= Grid point 485 (153/258) ======================= q-point: (-0.42 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -6.103 4.000 3.598) 8.136 1.387 ( -3.942 3.421 5.965) 7.927 1.553 ( -1.669 -3.230 -2.574) 4.454 1.864 ( -3.758 -3.465 1.146) 5.239 2.246 ( -1.597 4.942 5.794) 7.781 2.356 ( 3.231 0.776 1.284) 3.562 3.597 ( -3.678 0.604 -6.534) 7.522 3.798 ( -4.072 -0.465 1.514) 4.369 3.906 ( -2.167 6.743 -3.557) 7.926 4.869 ( -9.336 -18.218 -20.415) 28.911 6.685 ( 8.802 8.366 9.456) 15.391 7.510 ( 15.239 5.116 -2.605) 16.284 25.280 ( 1.369 -1.461 38.436) 38.488 26.851 ( -4.265 1.073 6.673) 7.992 27.417 ( -7.679 -1.630 -2.267) 8.171 30.287 ( 5.474 -1.649 -40.911) 41.308 96.982 ( 2.059 -2.494 14.554) 14.909 98.311 ( 1.844 0.812 -9.788) 9.994 ======================= Grid point 486 (154/258) ======================= q-point: (-0.33 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -4.529 4.177 7.231) 9.500 1.259 ( -5.979 3.360 7.941) 10.493 1.574 ( 0.859 -3.142 -2.642) 4.194 1.841 ( -2.845 -6.866 0.450) 7.446 2.148 ( -2.629 8.800 10.005) 13.581 2.410 ( 2.674 1.149 -0.220) 2.919 3.472 ( -8.193 -2.203 0.036) 8.484 3.719 ( -3.216 4.064 1.554) 5.410 3.854 ( 0.213 2.839 -0.126) 2.850 4.844 ( -7.579 -18.454 -16.337) 25.785 6.780 ( 6.742 6.322 13.045) 15.987 7.745 ( 13.543 8.168 -1.095) 15.853 25.326 ( 1.804 -2.293 38.671) 38.781 26.765 ( -3.511 1.178 4.079) 5.509 27.276 ( -7.676 -0.948 -3.652) 8.553 30.400 ( 4.670 -1.743 -42.546) 42.837 97.058 ( 3.064 -4.359 14.031) 15.009 98.341 ( 1.996 1.177 -10.980) 11.222 ======================= Grid point 487 (155/258) ======================= q-point: (-0.25 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -0.010 1.157 11.688) 11.745 1.121 ( -5.802 2.585 9.846) 11.717 1.617 ( 1.083 -2.703 -1.999) 3.532 1.846 ( -1.826 -5.107 2.119) 5.823 2.031 ( -1.733 9.054 10.535) 13.999 2.438 ( 1.265 1.410 -1.066) 2.174 3.354 ( -5.477 -3.347 8.449) 10.611 3.634 ( -1.793 4.654 -2.589) 5.620 3.847 ( -0.152 -0.546 2.780) 2.837 4.854 ( -4.669 -16.079 -11.994) 20.596 6.848 ( 3.733 2.721 15.805) 16.467 7.887 ( 8.133 11.447 -0.927) 14.073 25.381 ( 1.606 -3.169 38.811) 38.973 26.702 ( -1.954 1.136 2.269) 3.203 27.147 ( -5.400 0.196 -4.298) 6.904 30.485 ( 2.638 -1.523 -43.577) 43.683 97.160 ( 2.881 -6.793 12.574) 14.579 98.366 ( 1.454 1.739 -11.953) 12.166 ======================= Grid point 488 (156/258) ======================= q-point: (-0.17 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 -5.318 15.368) 16.262 1.015 ( -0.000 4.043 10.454) 11.209 1.649 ( 0.000 -2.361 -1.972) 3.077 1.813 ( -0.000 8.593 11.950) 14.719 1.987 ( 0.000 -2.066 3.111) 3.735 2.441 ( -0.000 1.160 -1.970) 2.286 3.324 ( 0.000 -3.264 11.650) 12.098 3.584 ( -0.000 3.876 -3.438) 5.181 3.857 ( 0.000 -1.959 3.575) 4.076 4.916 ( 0.000 -13.490 -10.272) 16.956 6.882 ( 0.000 -1.752 16.017) 16.113 7.870 ( -0.000 14.672 -1.201) 14.721 25.424 ( 0.000 -3.462 38.726) 38.880 26.675 ( -0.000 1.008 1.660) 1.942 27.086 ( -0.000 0.760 -4.272) 4.339 30.521 ( 0.000 -1.181 -43.642) 43.658 97.251 ( 0.000 -8.290 10.633) 13.482 98.365 ( -0.000 2.443 -11.949) 12.196 ======================= Grid point 493 (157/258) ======================= q-point: ( 0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 2.948 -0.000 0.045) 2.949 1.491 ( -0.482 0.000 -1.422) 1.502 1.580 ( -0.549 0.000 6.710) 6.732 2.066 ( -1.871 0.000 2.101) 2.813 2.184 ( 3.645 -0.000 4.253) 5.601 2.287 ( -0.378 0.000 -4.968) 4.982 3.456 ( 1.464 -0.000 -8.218) 8.347 3.967 ( 3.651 -0.000 -4.409) 5.724 4.168 ( 0.243 -0.000 -13.027) 13.029 5.210 ( -14.714 0.000 -25.212) 29.191 6.306 ( 10.010 -0.000 2.065) 10.221 6.936 ( 2.618 -0.000 -9.244) 9.608 25.237 ( -0.566 0.000 38.551) 38.555 27.013 ( 0.771 -0.000 12.252) 12.276 27.700 ( -1.808 0.000 0.763) 1.962 30.085 ( -1.185 0.000 -37.920) 37.938 96.934 ( -1.094 0.000 14.959) 14.999 98.249 ( 0.573 -0.000 -7.088) 7.111 ======================= Grid point 494 (158/258) ======================= q-point: (-0.67 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -2.039 4.028 -0.333) 4.527 1.485 ( -1.791 -2.602 -0.543) 3.205 1.564 ( -1.467 -1.478 5.350) 5.741 2.044 ( -1.565 0.274 4.746) 5.004 2.219 ( 2.275 5.457 -2.012) 6.245 2.300 ( 0.470 -4.908 -1.117) 5.055 3.515 ( 4.401 0.007 -6.716) 8.030 3.996 ( -1.413 0.609 -15.435) 15.512 4.136 ( -2.210 1.068 -5.060) 5.624 4.950 ( -13.446 -3.774 -22.321) 26.330 6.499 ( 10.496 2.343 3.008) 11.167 7.052 ( 9.282 0.136 -7.457) 11.908 25.233 ( 0.023 -0.158 38.328) 38.329 27.003 ( -1.775 0.109 11.512) 11.648 27.635 ( -4.810 -0.210 0.378) 4.829 30.093 ( 1.977 -0.206 -38.174) 38.226 96.920 ( -0.349 -0.176 14.706) 14.711 98.265 ( 1.093 0.072 -7.836) 7.912 ======================= Grid point 495 (159/258) ======================= q-point: (-0.58 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -4.288 4.354 0.158) 6.113 1.460 ( -2.015 -1.862 0.844) 2.870 1.540 ( -2.629 -1.824 2.759) 4.225 1.959 ( -6.105 1.360 2.782) 6.845 2.255 ( 4.171 1.703 -2.220) 5.023 2.341 ( 1.048 -0.957 3.805) 4.061 3.610 ( 5.139 1.233 -4.162) 6.727 3.891 ( -8.566 -1.343 -15.316) 17.600 4.089 ( -1.039 4.647 -3.640) 5.994 4.749 ( -12.415 -9.368 -19.568) 24.997 6.669 ( 9.668 4.802 5.839) 12.273 7.281 ( 14.353 1.064 -4.402) 15.050 25.241 ( 0.520 -0.512 38.148) 38.155 26.947 ( -3.611 0.442 9.429) 10.106 27.526 ( -6.644 -0.785 -0.698) 6.727 30.160 ( 4.389 -0.707 -39.263) 39.514 96.924 ( 0.485 -0.706 14.531) 14.556 98.290 ( 1.527 0.249 -8.970) 9.102 ======================= Grid point 496 (160/258) ======================= q-point: (-0.50 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -4.790 5.219 1.329) 7.208 1.434 ( -2.008 1.764 3.919) 4.744 1.492 ( -3.271 -3.925 -1.334) 5.280 1.826 ( -6.887 -1.756 1.438) 7.252 2.308 ( 1.519 3.143 3.470) 4.922 2.369 ( 2.917 0.912 3.107) 4.358 3.616 ( -5.922 1.921 -7.571) 9.802 3.781 ( -1.148 -1.761 1.004) 2.330 4.010 ( -2.591 6.904 -6.696) 9.961 4.616 ( -10.581 -15.006 -17.759) 25.545 6.799 ( 8.130 6.438 9.718) 14.212 7.568 ( 16.083 2.644 -1.314) 16.352 25.261 ( 0.940 -1.095 38.096) 38.123 26.865 ( -4.173 0.796 6.657) 7.898 27.396 ( -7.355 -1.096 -2.104) 7.728 30.264 ( 5.323 -1.252 -41.038) 41.400 96.951 ( 1.352 -1.633 14.443) 14.597 98.320 ( 1.856 0.415 -10.317) 10.491 ======================= Grid point 497 (161/258) ======================= q-point: (-0.42 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -3.977 6.225 3.480) 8.166 1.323 ( -5.538 4.951 6.066) 9.590 1.509 ( 0.398 -5.553 -2.746) 6.208 1.740 ( -5.055 -6.284 0.512) 8.080 2.272 ( -0.406 7.390 8.950) 11.614 2.427 ( 3.023 0.959 0.714) 3.251 3.443 ( -9.641 -1.548 0.375) 9.771 3.781 ( -0.135 3.798 1.392) 4.047 3.904 ( -3.243 4.172 -3.548) 6.365 4.569 ( -6.878 -17.570 -15.363) 24.332 6.885 ( 5.932 6.962 13.817) 16.570 7.839 ( 14.065 4.490 0.681) 14.780 25.293 ( 1.216 -1.929 38.234) 38.302 26.782 ( -3.498 1.026 4.004) 5.415 27.263 ( -6.849 -0.674 -3.416) 7.684 30.374 ( 4.649 -1.626 -42.936) 43.217 97.001 ( 1.977 -3.101 14.269) 14.735 98.354 ( 1.933 0.513 -11.698) 11.867 ======================= Grid point 498 (162/258) ======================= q-point: (-0.33 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -1.559 5.182 6.764) 8.663 1.181 ( -4.715 5.110 7.706) 10.379 1.565 ( 0.987 -4.432 -1.600) 4.814 1.725 ( -2.556 -9.261 -1.335) 9.700 2.193 ( -0.561 10.655 11.408) 15.620 2.461 ( 1.495 1.535 0.003) 2.143 3.303 ( -6.088 -3.257 8.492) 10.945 3.719 ( -1.225 6.592 -4.228) 7.927 3.837 ( -2.423 -0.685 2.058) 3.252 4.603 ( -3.241 -16.722 -11.432) 20.514 6.923 ( 3.172 6.404 17.000) 18.441 8.021 ( 8.391 6.516 1.006) 10.671 25.334 ( 1.051 -2.900 38.483) 38.606 26.720 ( -1.967 1.134 2.148) 3.126 27.151 ( -4.554 0.291 -4.184) 6.191 30.460 ( 2.678 -1.750 -44.245) 44.361 97.070 ( 1.765 -5.102 13.727) 14.751 98.383 ( 1.400 0.653 -12.839) 12.931 ======================= Grid point 499 (163/258) ======================= q-point: (-0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -0.000 1.415 10.094) 10.193 1.087 ( -0.000 5.462 9.014) 10.539 1.604 ( 0.000 -3.557 -0.961) 3.685 1.772 ( 0.000 -9.071 -1.530) 9.199 2.099 ( -0.000 12.039 12.410) 17.290 2.463 ( -0.000 1.729 -0.542) 1.812 3.270 ( 0.000 -3.825 11.632) 12.244 3.659 ( -0.000 5.982 -4.925) 7.748 3.825 ( 0.000 -2.284 3.125) 3.870 4.691 ( 0.000 -15.714 -9.622) 18.426 6.912 ( -0.000 4.850 17.979) 18.622 8.047 ( -0.000 8.983 0.102) 8.983 25.371 ( 0.000 -3.530 38.665) 38.825 26.692 ( -0.000 1.165 1.527) 1.921 27.099 ( -0.000 0.876 -4.321) 4.409 30.499 ( 0.000 -1.674 -44.468) 44.500 97.135 ( 0.000 -6.841 12.877) 14.582 98.392 ( -0.000 1.100 -13.137) 13.183 ======================= Grid point 506 (164/258) ======================= q-point: (-0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -3.845 0.000 -0.912) 3.951 1.415 ( -3.103 0.000 -0.752) 3.193 1.533 ( -1.561 0.000 5.188) 5.418 1.970 ( -6.660 0.000 2.892) 7.261 2.274 ( 2.732 -0.000 -3.854) 4.724 2.328 ( 3.142 -0.000 4.917) 5.835 3.621 ( 6.167 -0.000 -3.556) 7.119 3.878 ( -9.784 0.000 -16.699) 19.354 4.128 ( -0.076 0.000 -5.195) 5.196 4.674 ( -13.490 0.000 -17.599) 22.175 6.705 ( 9.660 -0.000 5.686) 11.209 7.289 ( 14.619 -0.000 -4.115) 15.187 25.237 ( 0.426 -0.000 38.080) 38.083 26.950 ( -3.538 0.000 9.434) 10.076 27.520 ( -6.717 0.000 -0.681) 6.751 30.155 ( 4.288 -0.000 -39.257) 39.490 96.919 ( 0.338 -0.000 14.477) 14.481 98.292 ( 1.549 -0.000 -9.077) 9.208 ======================= Grid point 508 (165/258) ======================= q-point: (-0.58 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -3.502 5.536 -0.662) 6.584 1.385 ( -2.278 -5.513 -1.258) 6.097 1.490 ( -2.737 1.178 4.215) 5.162 1.809 ( -9.292 -0.621 1.795) 9.484 2.339 ( 3.599 1.071 0.757) 3.830 2.380 ( 2.499 0.458 5.409) 5.977 3.649 ( -10.484 1.894 -8.104) 13.386 3.750 ( 4.018 -1.871 0.243) 4.439 4.101 ( -1.551 4.353 -11.005) 11.935 4.440 ( -12.766 -7.249 -13.445) 19.907 6.867 ( 7.908 2.404 9.739) 12.774 7.593 ( 16.395 0.771 -0.479) 16.421 25.249 ( 0.711 -0.406 37.891) 37.900 26.873 ( -4.120 0.294 6.653) 7.831 27.385 ( -7.166 -0.382 -2.037) 7.460 30.251 ( 5.224 -0.467 -41.100) 41.433 96.934 ( 1.011 -0.563 14.353) 14.400 98.324 ( 1.817 0.120 -10.583) 10.739 ======================= Grid point 509 (166/258) ======================= q-point: (-0.50 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -2.716 7.489 0.310) 7.972 1.399 ( -4.279 4.567 4.545) 7.734 1.410 ( -0.441 -7.289 -2.522) 7.725 1.656 ( -7.702 -4.691 1.759) 9.188 2.364 ( 1.413 4.851 6.758) 8.438 2.435 ( 2.978 -0.055 2.504) 3.891 3.426 ( -10.971 -0.750 0.613) 11.013 3.823 ( 2.310 1.655 2.626) 3.869 3.989 ( -5.051 7.222 -9.239) 12.769 4.328 ( -6.830 -14.316 -13.049) 20.539 6.973 ( 5.631 4.360 14.006) 15.713 7.885 ( 14.143 1.814 2.254) 14.436 25.270 ( 0.845 -1.095 37.870) 37.895 26.794 ( -3.495 0.595 3.951) 5.309 27.256 ( -6.261 -0.338 -3.304) 7.087 30.354 ( 4.607 -0.980 -43.182) 43.438 96.966 ( 1.400 -1.572 14.288) 14.442 98.358 ( 1.778 0.137 -12.084) 12.215 ======================= Grid point 510 (167/258) ======================= q-point: (-0.42 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -1.550 8.225 2.040) 8.615 1.267 ( -4.059 6.193 5.924) 9.483 1.479 ( 1.356 -7.185 -2.006) 7.582 1.589 ( -4.419 -8.351 -0.133) 9.449 2.334 ( 0.551 7.945 9.326) 12.263 2.479 ( 1.659 0.628 1.406) 2.264 3.260 ( -6.772 -2.357 8.435) 11.071 3.813 ( -1.243 2.044 0.815) 2.527 3.846 ( -3.591 5.821 -5.329) 8.671 4.363 ( -1.900 -15.042 -10.921) 18.685 7.019 ( 2.952 5.719 17.305) 18.463 8.090 ( 8.306 2.923 3.300) 9.403 25.297 ( 0.680 -1.994 38.037) 38.095 26.735 ( -1.978 0.830 2.042) 2.962 27.155 ( -3.903 0.258 -4.135) 5.692 30.435 ( 2.680 -1.389 -44.726) 44.828 97.009 ( 1.152 -3.014 14.140) 14.503 98.388 ( 1.220 0.046 -13.265) 13.321 ======================= Grid point 511 (168/258) ======================= q-point: (-0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -0.000 6.761 4.436) 8.087 1.176 ( -0.000 6.333 7.326) 9.684 1.542 ( 0.000 -4.710 0.380) 4.726 1.618 ( 0.000 -11.014 -3.409) 11.529 2.270 ( -0.000 10.187 10.792) 14.840 2.488 ( -0.000 1.355 0.615) 1.488 3.215 ( 0.000 -3.363 11.605) 12.082 3.763 ( -0.000 7.969 -6.469) 10.264 3.792 ( 0.000 -1.997 2.663) 3.329 4.458 ( 0.000 -15.052 -9.245) 17.665 7.002 ( -0.000 6.382 18.517) 19.586 8.145 ( -0.000 4.427 2.649) 5.159 25.323 ( 0.000 -2.770 38.276) 38.376 26.709 ( -0.000 1.009 1.395) 1.721 27.111 ( -0.000 0.757 -4.370) 4.435 30.473 ( 0.000 -1.641 -45.122) 45.152 97.050 ( 0.000 -4.483 13.864) 14.571 98.400 ( -0.000 0.135 -13.673) 13.674 ======================= Grid point 520 (169/258) ======================= q-point: (-0.58 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -1.096 0.000 -1.964) 2.249 1.312 ( -1.778 0.000 -1.364) 2.241 1.442 ( -2.843 0.000 3.688) 4.656 1.614 ( -9.727 0.000 2.680) 10.089 2.412 ( 3.015 -0.000 2.831) 4.136 2.425 ( 1.982 -0.000 6.318) 6.621 3.420 ( -11.536 0.000 0.709) 11.557 3.834 ( 2.692 -0.000 2.956) 3.998 4.094 ( -1.471 0.000 -17.763) 17.824 4.170 ( -10.416 0.000 -5.740) 11.893 7.007 ( 5.561 -0.000 14.029) 15.091 7.898 ( 14.128 -0.000 2.870) 14.417 25.262 ( 0.721 -0.000 37.729) 37.735 26.799 ( -3.496 0.000 3.933) 5.262 27.253 ( -6.049 0.000 -3.273) 6.878 30.346 ( 4.587 -0.000 -43.265) 43.508 96.954 ( 1.224 -0.000 14.272) 14.324 98.359 ( 1.706 -0.000 -12.204) 12.323 ======================= Grid point 522 (170/258) ======================= q-point: (-0.50 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -0.557 9.547 -1.224) 9.641 1.344 ( -0.488 -5.694 -1.374) 5.878 1.367 ( -2.239 2.153 2.937) 4.275 1.479 ( -5.704 -6.199 2.642) 8.829 2.429 ( 1.257 4.617 6.611) 8.161 2.474 ( 1.590 -1.537 3.758) 4.360 3.236 ( -7.217 -0.860 8.345) 11.066 3.813 ( -4.032 -0.241 2.007) 4.510 3.981 ( -1.280 10.446 -8.149) 13.311 4.155 ( -1.178 -12.693 -10.533) 16.536 7.081 ( 2.887 2.239 17.339) 17.720 8.116 ( 8.186 0.766 4.766) 9.503 25.276 ( 0.501 -0.708 37.733) 37.743 26.744 ( -1.985 0.304 1.981) 2.821 27.158 ( -3.556 0.102 -4.122) 5.445 30.420 ( 2.672 -0.527 -44.977) 45.060 96.979 ( 0.895 -0.985 14.231) 14.293 98.387 ( 1.089 -0.051 -13.430) 13.474 ======================= Grid point 523 (171/258) ======================= q-point: (-0.42 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.000 9.812 0.110) 9.813 1.274 ( -0.000 6.636 5.530) 8.638 1.448 ( 0.000 -11.461 -3.564) 12.002 1.464 ( 0.000 -5.709 1.971) 6.040 2.398 ( -0.000 6.744 8.151) 10.579 2.497 ( 0.000 -0.337 2.487) 2.510 3.174 ( 0.000 -1.963 11.579) 11.744 3.767 ( 0.000 -1.161 2.318) 2.592 3.897 ( -0.000 9.801 -7.824) 12.541 4.244 ( 0.000 -13.373 -9.076) 16.162 7.085 ( -0.000 4.188 18.598) 19.063 8.188 ( -0.000 1.598 4.833) 5.090 25.290 ( 0.000 -1.507 37.863) 37.893 26.721 ( -0.000 0.583 1.297) 1.422 27.120 ( -0.000 0.437 -4.405) 4.427 30.453 ( 0.000 -1.010 -45.537) 45.548 97.000 ( 0.000 -2.160 14.170) 14.333 98.399 ( 0.000 -0.149 -13.877) 13.877 ======================= Grid point 535 (172/258) ======================= q-point: ( 0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -0.000 0.000 -2.579) 2.579 1.282 ( 0.000 -0.000 -2.372) 2.372 1.372 ( 0.000 -6.330 3.626) 7.295 1.372 ( -0.000 6.330 3.810) 7.388 2.472 ( 0.000 -0.000 5.524) 5.524 2.472 ( -0.000 0.000 4.863) 4.863 3.159 ( -0.000 0.000 11.567) 11.567 3.758 ( -0.000 0.000 2.190) 2.190 4.057 ( 0.000 -0.001 -22.542) 22.542 4.057 ( -0.000 0.001 5.136) 5.136 7.117 ( -0.000 0.000 18.586) 18.586 8.200 ( -0.000 0.000 5.677) 5.677 25.279 ( -0.000 0.000 37.693) 37.693 26.725 ( -0.000 0.000 1.262) 1.262 27.124 ( -0.000 0.000 -4.418) 4.418 30.445 ( -0.000 0.000 -45.680) 45.680 96.984 ( -0.000 0.000 14.225) 14.225 98.398 ( -0.000 0.000 -13.928) 13.928 ======================= Grid point 604 (173/258) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.000 0.000 9.594) 9.594 1.556 ( 0.000 0.000 15.962) 15.962 1.608 ( 0.000 0.000 -4.530) 4.530 1.802 ( 0.000 0.000 12.616) 12.616 2.166 ( 0.000 0.000 2.332) 2.332 2.283 ( 0.000 0.000 -7.269) 7.269 3.610 ( 0.000 0.000 10.047) 10.047 3.616 ( 0.000 0.000 10.779) 10.779 3.945 ( 0.000 0.000 1.054) 1.054 4.830 ( 0.000 0.000 -18.452) 18.452 7.244 ( 0.000 0.000 6.584) 6.584 7.494 ( 0.000 0.000 1.728) 1.728 26.372 ( 0.000 0.000 46.644) 46.644 26.708 ( 0.000 0.000 3.001) 3.001 26.978 ( 0.000 0.000 -4.858) 4.858 29.570 ( 0.000 0.000 -49.974) 49.974 97.551 ( 0.000 0.000 7.084) 7.084 98.105 ( 0.000 0.000 -9.745) 9.745 ======================= Grid point 605 (174/258) ======================= q-point: ( 0.08 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -1.093 -0.312 10.155) 10.219 1.514 ( -0.444 5.271 11.480) 12.640 1.611 ( 0.585 2.313 -0.439) 2.426 1.886 ( 4.299 -7.107 10.672) 13.523 2.141 ( 0.515 6.658 0.315) 6.685 2.298 ( -1.052 -5.703 -4.594) 7.399 3.589 ( 0.139 0.974 10.549) 10.595 3.674 ( 3.961 0.173 8.347) 9.240 3.903 ( -3.929 0.173 1.111) 4.087 4.855 ( 3.652 3.799 -19.420) 20.122 7.139 ( -8.955 2.285 7.650) 11.997 7.468 ( -6.123 -7.547 -0.253) 9.721 26.339 ( -2.665 0.905 45.938) 46.024 26.741 ( 3.294 -0.259 3.609) 4.893 27.051 ( 6.947 -0.040 -4.118) 8.076 29.550 ( -1.852 0.629 -49.741) 49.780 97.515 ( -2.807 1.620 8.485) 9.083 98.104 ( -0.324 -0.349 -9.830) 9.842 ======================= Grid point 606 (175/258) ======================= q-point: ( 0.17 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.728 -0.251 10.168) 10.197 1.484 ( 0.339 2.479 6.634) 7.090 1.602 ( 1.140 3.686 2.872) 4.810 2.014 ( 3.782 -0.397 3.673) 5.288 2.116 ( 1.750 1.199 2.379) 3.187 2.316 ( -1.681 -5.603 -1.558) 6.054 3.600 ( 2.263 2.766 8.546) 9.263 3.755 ( 3.808 -0.343 4.719) 6.074 3.809 ( -5.665 -1.757 1.433) 6.102 4.892 ( 4.358 8.503 -22.218) 24.186 6.903 ( -14.125 -1.285 8.782) 16.682 7.360 ( -11.243 -8.829 -3.639) 14.751 26.272 ( -3.043 1.271 45.517) 45.637 26.835 ( 5.891 -0.481 5.212) 7.880 27.219 ( 9.919 0.453 -3.423) 10.503 29.492 ( -3.403 1.122 -49.040) 49.171 97.435 ( -3.601 2.199 11.257) 12.021 98.098 ( -0.547 -0.341 -9.921) 9.942 ======================= Grid point 607 (176/258) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 3.533 -0.887 8.031) 8.818 1.479 ( 0.053 0.308 1.917) 1.942 1.612 ( 2.765 3.249 5.797) 7.198 2.014 ( 1.107 6.963 -2.425) 7.456 2.205 ( 3.129 -5.476 5.232) 8.195 2.314 ( -2.020 -4.027 0.394) 4.522 3.614 ( 0.140 3.199 4.484) 5.510 3.715 ( -3.370 -2.671 1.445) 4.536 3.839 ( 2.980 -1.487 0.713) 3.406 4.880 ( 2.323 12.273 -26.169) 28.997 6.647 ( -14.284 -5.834 9.117) 17.922 7.180 ( -13.264 -7.557 -6.521) 16.600 26.209 ( -2.400 1.190 45.711) 45.789 26.968 ( 7.187 -0.610 7.293) 10.257 27.406 ( 9.594 1.135 -2.926) 10.094 29.406 ( -4.298 1.339 -47.982) 48.192 97.355 ( -2.866 1.994 13.498) 13.942 98.089 ( -0.534 -0.184 -9.904) 9.920 ======================= Grid point 608 (177/258) ======================= q-point: ( 0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 4.520 -1.138 5.102) 6.911 1.483 ( 0.424 -0.467 0.506) 0.809 1.658 ( 3.587 1.505 5.534) 6.764 1.986 ( 0.936 5.210 -2.295) 5.770 2.248 ( -2.171 -2.249 3.291) 4.539 2.332 ( 1.288 -3.583 1.330) 4.033 3.537 ( -6.082 -1.828 1.937) 6.640 3.734 ( 3.831 2.583 -1.314) 4.804 3.892 ( 0.804 -2.417 -3.525) 4.349 4.804 ( -0.388 11.869 -29.494) 31.795 6.460 ( -9.936 -7.482 8.558) 15.098 6.981 ( -11.776 -5.285 -8.214) 15.300 26.163 ( -1.535 0.847 46.045) 46.078 27.110 ( 6.708 -0.616 9.346) 11.521 27.561 ( 7.153 1.475 -2.327) 7.666 29.313 ( -4.137 1.195 -46.905) 47.102 97.297 ( -1.773 1.474 14.770) 14.949 98.081 ( -0.358 -0.069 -9.840) 9.846 ======================= Grid point 609 (178/258) ======================= q-point: ( 0.42 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 2.704 -0.462 3.448) 4.406 1.504 ( 1.067 -0.719 0.706) 1.467 1.717 ( 2.831 -0.002 3.492) 4.495 1.972 ( 0.697 2.842 -1.904) 3.491 2.206 ( -2.480 -0.516 3.958) 4.699 2.375 ( 0.601 -1.854 -0.348) 1.980 3.441 ( -4.616 -1.688 0.775) 4.976 3.794 ( 4.457 3.582 -5.049) 7.628 3.905 ( -1.455 -2.926 -7.052) 7.772 4.712 ( -1.146 6.840 -30.802) 31.573 6.372 ( -4.385 -4.977 7.329) 9.885 6.823 ( -7.111 -2.613 -8.675) 11.518 26.137 ( -0.720 0.420 46.322) 46.330 27.223 ( 4.171 -0.426 10.939) 11.715 27.657 ( 3.689 1.077 -1.825) 4.255 29.238 ( -2.619 0.708 -46.195) 46.274 97.264 ( -0.818 0.791 15.355) 15.397 98.076 ( -0.162 -0.019 -9.793) 9.795 ======================= Grid point 610 (179/258) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 -0.000 3.202) 3.202 1.520 ( -0.000 -0.000 0.857) 0.857 1.749 ( 0.000 -0.000 2.168) 2.168 1.968 ( 0.000 -0.000 -1.658) 1.658 2.180 ( 0.000 -0.000 4.495) 4.495 2.386 ( 0.000 -0.000 -1.263) 1.263 3.400 ( 0.000 -0.000 0.174) 0.174 3.833 ( 0.000 -0.000 -6.161) 6.161 3.894 ( 0.000 -0.000 -8.817) 8.817 4.674 ( 0.000 0.000 -30.933) 30.933 6.351 ( 0.000 -0.000 6.668) 6.668 6.761 ( 0.000 -0.000 -8.642) 8.642 26.129 ( 0.000 -0.000 46.431) 46.431 27.267 ( 0.000 -0.000 11.575) 11.575 27.688 ( 0.000 -0.000 -1.642) 1.642 29.209 ( 0.000 -0.000 -45.974) 45.974 97.253 ( 0.000 -0.000 15.520) 15.520 98.075 ( 0.000 -0.000 -9.779) 9.779 ======================= Grid point 618 (180/258) ======================= q-point: ( 0.08 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.636 -0.000 10.146) 10.166 1.503 ( -1.310 0.000 3.910) 4.124 1.641 ( 0.899 -0.000 6.947) 7.005 1.974 ( 6.758 -0.000 7.854) 10.361 2.188 ( 0.753 -0.000 2.398) 2.514 2.237 ( -2.098 0.000 -6.389) 6.725 3.622 ( 2.749 -0.000 9.262) 9.661 3.754 ( 4.066 -0.000 4.870) 6.344 3.794 ( -7.062 0.000 1.317) 7.184 4.958 ( 4.764 -0.000 -22.583) 23.081 6.899 ( -15.710 0.000 6.839) 17.134 7.286 ( -9.687 0.000 -2.174) 9.927 26.282 ( -3.231 0.000 45.469) 45.584 26.831 ( 5.906 -0.000 5.261) 7.909 27.223 ( 10.113 -0.000 -3.422) 10.676 29.500 ( -3.459 0.000 -48.906) 49.029 97.452 ( -3.941 0.000 10.857) 11.550 98.095 ( -0.451 0.000 -9.548) 9.558 ======================= Grid point 619 (181/258) ======================= q-point: ( 0.17 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 3.187 -0.381 8.281) 8.881 1.483 ( -0.587 0.146 0.840) 1.035 1.655 ( 1.731 1.937 8.613) 8.997 2.097 ( 3.950 1.815 1.946) 4.762 2.162 ( 1.132 2.309 1.024) 2.768 2.240 ( -1.449 -5.720 -0.531) 5.925 3.640 ( -6.945 0.373 2.032) 7.246 3.695 ( 3.296 -0.155 5.391) 6.321 3.824 ( 2.810 -0.468 0.318) 2.867 5.012 ( 1.971 4.669 -27.068) 27.538 6.588 ( -15.604 -1.923 8.142) 17.705 7.094 ( -11.298 -3.290 -5.746) 13.095 26.222 ( -2.715 0.425 45.693) 45.776 26.962 ( 7.234 -0.223 7.420) 10.365 27.419 ( 9.774 0.433 -3.018) 10.238 29.420 ( -4.468 0.485 -47.854) 48.064 97.376 ( -3.361 0.769 13.185) 13.629 98.087 ( -0.437 -0.100 -9.434) 9.445 ======================= Grid point 620 (182/258) ======================= q-point: ( 0.25 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 4.672 -0.909 5.215) 7.060 1.477 ( -0.034 -0.302 -0.393) 0.497 1.684 ( 2.577 1.763 8.061) 8.645 2.073 ( -0.037 5.938 -2.587) 6.477 2.211 ( -0.478 -2.238 2.976) 3.754 2.269 ( 1.547 -4.691 1.405) 5.135 3.503 ( -7.184 -2.097 1.001) 7.551 3.774 ( 4.969 2.166 1.560) 5.640 3.866 ( 0.919 -0.959 -4.476) 4.669 4.951 ( -3.503 7.129 -30.806) 31.813 6.370 ( -8.719 -4.249 8.993) 13.227 6.911 ( -9.812 -3.610 -8.265) 13.327 26.173 ( -1.898 0.453 46.051) 46.092 27.103 ( 6.804 -0.359 9.506) 11.695 27.579 ( 7.059 0.900 -2.466) 7.531 29.327 ( -4.456 0.683 -46.844) 47.060 97.315 ( -2.292 0.886 14.625) 14.830 98.080 ( -0.306 -0.073 -9.427) 9.432 ======================= Grid point 621 (183/258) ======================= q-point: ( 0.33 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 3.451 -0.357 2.884) 4.512 1.491 ( 0.891 -1.138 -0.402) 1.501 1.720 ( 1.753 0.611 6.295) 6.563 2.036 ( 0.394 4.848 -2.345) 5.399 2.191 ( -1.999 -1.059 3.720) 4.354 2.332 ( 1.007 -3.743 -0.134) 3.879 3.407 ( -4.223 -2.494 0.110) 4.906 3.831 ( 0.751 0.244 -4.561) 4.629 3.888 ( 2.526 1.450 -6.506) 7.128 4.800 ( -6.418 4.559 -31.230) 32.207 6.312 ( -0.708 -2.901 7.651) 8.213 6.784 ( -5.205 -2.357 -8.959) 10.626 26.142 ( -1.075 0.237 46.326) 46.339 27.217 ( 4.371 -0.352 11.032) 11.872 27.672 ( 3.166 0.904 -1.906) 3.805 29.247 ( -3.085 0.514 -46.180) 46.286 97.274 ( -1.373 0.597 15.308) 15.381 98.076 ( -0.143 -0.033 -9.544) 9.545 ======================= Grid point 622 (184/258) ======================= q-point: ( 0.42 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.331 0.336 2.591) 2.633 1.518 ( 0.632 -0.639 0.006) 0.899 1.734 ( -0.669 -1.181 4.087) 4.307 2.009 ( 0.203 4.590 -2.467) 5.215 2.170 ( -0.498 -1.154 4.547) 4.717 2.367 ( 0.383 -2.518 -1.154) 2.797 3.386 ( 0.590 -1.665 -0.331) 1.797 3.803 ( -3.779 -2.615 -9.200) 10.284 3.936 ( 3.819 4.101 -6.069) 8.260 4.667 ( -5.470 -0.853 -29.870) 30.379 6.360 ( 4.431 1.122 6.185) 7.690 6.759 ( 1.772 -0.309 -8.560) 8.747 26.128 ( -0.352 -0.101 46.428) 46.430 27.266 ( 0.314 -0.095 11.542) 11.547 27.690 ( -0.814 0.200 -1.610) 1.815 29.209 ( -0.556 -0.003 -45.970) 45.973 97.253 ( -0.597 0.011 15.518) 15.529 98.075 ( 0.004 -0.013 -9.774) 9.774 ======================= Grid point 623 (185/258) ======================= q-point: (-0.50 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -2.372 0.414 3.212) 4.014 1.514 ( -0.858 0.496 0.710) 1.219 1.707 ( -3.207 -1.466 3.019) 4.642 1.968 ( -1.496 2.380 -2.426) 3.713 2.201 ( 2.639 -1.128 4.147) 5.043 2.386 ( 0.265 -0.403 -0.437) 0.650 3.450 ( 4.726 -0.485 0.457) 4.773 3.743 ( -4.241 -3.228 -8.535) 10.063 3.960 ( 1.719 4.253 -5.178) 6.917 4.606 ( -3.878 -6.906 -28.554) 29.632 6.454 ( 7.890 5.679 6.256) 11.560 6.859 ( 9.048 2.105 -8.126) 12.342 26.130 ( 0.316 -0.533 46.310) 46.314 27.229 ( -3.896 0.351 10.784) 11.471 27.641 ( -4.338 -0.880 -1.685) 4.737 29.227 ( 2.076 -0.714 -46.202) 46.254 97.252 ( 0.203 -0.764 15.397) 15.417 98.077 ( 0.163 -0.010 -10.064) 10.066 ======================= Grid point 624 (186/258) ======================= q-point: (-0.42 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -4.338 0.750 4.675) 6.422 1.492 ( -0.767 0.540 0.810) 1.239 1.639 ( -4.410 -1.075 3.677) 5.842 1.929 ( -2.207 -2.016 -2.378) 3.820 2.270 ( 3.584 0.474 3.419) 4.976 2.376 ( -0.556 2.205 1.307) 2.622 3.541 ( 2.656 -1.276 1.292) 3.218 3.710 ( 0.212 -0.749 -4.074) 4.147 3.937 ( -1.078 3.567 -2.408) 4.437 4.614 ( -3.129 -12.692 -27.085) 30.075 6.584 ( 11.190 8.597 7.722) 16.086 7.060 ( 13.957 5.031 -7.702) 16.717 26.149 ( 1.047 -1.079 46.024) 46.048 27.120 ( -6.554 0.699 9.102) 11.238 27.537 ( -7.302 -1.568 -2.119) 7.763 29.293 ( 3.691 -1.397 -46.974) 47.140 97.273 ( 1.127 -1.615 14.930) 15.060 98.082 ( 0.377 -0.000 -10.360) 10.367 ======================= Grid point 625 (187/258) ======================= q-point: (-0.33 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -3.989 0.821 7.350) 8.403 1.478 ( -0.804 0.181 2.606) 2.733 1.568 ( -3.659 -2.495 2.929) 5.310 1.915 ( -2.310 -5.789 -2.883) 6.867 2.290 ( -0.605 5.243 5.185) 7.399 2.361 ( 1.992 2.308 1.288) 3.309 3.556 ( -2.214 -4.163 2.737) 5.452 3.764 ( 5.168 3.384 0.410) 6.191 3.869 ( -3.454 2.459 1.299) 4.434 4.664 ( -3.130 -15.787 -24.360) 29.197 6.757 ( 13.144 8.464 9.774) 18.437 7.302 ( 15.549 8.170 -6.801) 18.836 26.187 ( 1.866 -1.695 45.717) 45.787 26.979 ( -7.106 0.838 7.059) 10.051 27.387 ( -9.277 -1.442 -2.761) 9.786 29.382 ( 3.991 -1.862 -48.185) 48.386 97.320 ( 2.129 -2.506 13.941) 14.324 98.091 ( 0.609 0.071 -10.625) 10.643 ======================= Grid point 626 (188/258) ======================= q-point: (-0.25 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -1.181 0.073 10.020) 10.089 1.439 ( -3.812 -2.748 8.876) 10.043 1.557 ( 0.162 -2.442 -1.902) 3.099 1.925 ( -2.205 -8.235 -3.299) 9.141 2.204 ( -2.152 8.469 7.738) 11.672 2.384 ( 2.069 3.522 0.442) 4.109 3.547 ( -1.520 -3.942 6.693) 7.915 3.768 ( -4.527 1.444 4.704) 6.686 3.839 ( 3.952 2.046 1.204) 4.610 4.716 ( -3.369 -14.284 -20.878) 25.520 6.953 ( 12.009 5.391 11.544) 17.509 7.516 ( 13.405 10.987 -5.355) 18.141 26.245 ( 2.543 -2.230 45.613) 45.738 26.845 ( -5.855 0.829 5.066) 7.786 27.210 ( -9.390 -0.696 -3.414) 10.016 29.468 ( 3.241 -1.989 -49.383) 49.529 97.391 ( 2.819 -3.399 12.170) 12.946 98.103 ( 0.699 0.270 -10.796) 10.822 ======================= Grid point 627 (189/258) ======================= q-point: (-0.17 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 1.730 0.287 10.363) 10.511 1.398 ( -3.896 -7.913 12.938) 15.659 1.586 ( 0.976 -1.309 -3.565) 3.921 1.943 ( -1.948 -5.574 -0.719) 5.948 2.104 ( -1.289 6.899 7.930) 10.590 2.383 ( 1.039 4.935 -0.872) 5.118 3.561 ( 0.464 -2.597 9.591) 9.947 3.672 ( -4.396 0.138 7.782) 8.939 3.898 ( 2.531 -0.620 0.951) 2.774 4.747 ( -2.731 -10.206 -18.396) 21.214 7.121 ( 7.355 0.978 12.011) 14.118 7.634 ( 7.651 12.850 -3.515) 15.363 26.313 ( 2.329 -2.458 46.060) 46.184 26.749 ( -3.295 0.702 3.547) 4.892 27.052 ( -6.541 0.145 -4.194) 7.772 29.532 ( 1.800 -1.759 -50.110) 50.173 97.472 ( 2.309 -3.927 9.750) 10.762 98.112 ( 0.465 0.566 -10.736) 10.761 ======================= Grid point 628 (190/258) ======================= q-point: (-0.08 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.000 1.323 9.325) 9.418 1.434 ( 0.000 -11.585 15.562) 19.401 1.604 ( 0.000 -0.583 -4.315) 4.354 1.909 ( -0.000 7.483 8.935) 11.655 2.087 ( 0.000 -4.889 1.171) 5.027 2.352 ( -0.000 5.787 -2.663) 6.371 3.601 ( 0.000 -1.848 10.795) 10.952 3.609 ( 0.000 -0.057 9.208) 9.208 3.934 ( 0.000 -1.412 0.959) 1.707 4.779 ( 0.000 -6.599 -17.905) 19.082 7.203 ( 0.000 -2.580 10.418) 10.732 7.612 ( -0.000 12.549 -1.460) 12.633 26.356 ( 0.000 -2.009 46.679) 46.722 26.712 ( -0.000 0.493 2.972) 3.012 26.981 ( -0.000 0.409 -4.866) 4.883 29.561 ( 0.000 -1.259 -50.197) 50.213 97.525 ( 0.000 -3.346 7.966) 8.640 98.111 ( -0.000 0.667 -10.334) 10.355 ======================= Grid point 631 (191/258) ======================= q-point: ( 0.17 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 4.732 -0.000 5.253) 7.070 1.475 ( -0.276 0.000 -0.738) 0.788 1.700 ( 2.135 -0.000 9.131) 9.378 2.136 ( -1.834 0.000 -4.408) 4.774 2.199 ( -0.022 0.000 3.139) 3.139 2.209 ( 3.335 -0.000 2.708) 4.296 3.486 ( -7.349 0.000 0.642) 7.377 3.790 ( 4.699 -0.000 2.030) 5.119 3.860 ( 1.385 -0.000 -4.342) 4.557 5.006 ( -4.823 0.000 -31.210) 31.581 6.338 ( -8.177 0.000 9.059) 12.203 6.882 ( -8.983 0.000 -8.178) 12.147 26.177 ( -2.033 0.000 46.051) 46.096 27.100 ( 6.836 -0.000 9.561) 11.753 27.586 ( 7.027 -0.000 -2.515) 7.463 29.332 ( -4.571 0.000 -46.820) 47.042 97.322 ( -2.494 0.000 14.565) 14.777 98.079 ( -0.278 0.000 -9.269) 9.273 ======================= Grid point 632 (192/258) ======================= q-point: ( 0.25 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 4.425 -0.062 2.282) 4.979 1.475 ( 0.085 -0.705 -0.919) 1.162 1.732 ( 1.223 0.675 8.222) 8.340 2.092 ( -1.119 1.908 -2.599) 3.413 2.194 ( 0.042 1.952 3.058) 3.628 2.269 ( 0.786 -4.153 0.248) 4.234 3.378 ( -3.864 -1.093 -0.488) 4.046 3.822 ( -1.611 -0.586 -7.582) 7.773 3.918 ( 4.920 1.423 -3.148) 6.012 4.846 ( -9.804 1.495 -30.758) 32.317 6.284 ( 1.654 -0.828 7.377) 7.606 6.758 ( -3.969 -0.992 -9.009) 9.894 26.144 ( -1.282 0.072 46.326) 46.344 27.213 ( 4.470 -0.136 11.072) 11.941 27.682 ( 2.880 0.354 -1.940) 3.491 29.253 ( -3.352 0.187 -46.168) 46.290 97.281 ( -1.703 0.223 15.277) 15.373 98.076 ( -0.122 -0.016 -9.393) 9.394 ======================= Grid point 633 (193/258) ======================= q-point: ( 0.33 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.933 1.300 1.269) 2.042 1.495 ( 0.581 -2.284 -1.023) 2.569 1.730 ( -0.995 0.505 6.996) 7.084 2.073 ( 0.536 2.557 -2.937) 3.931 2.166 ( -1.067 1.903 3.576) 4.189 2.312 ( 0.706 -4.564 -0.672) 4.667 3.361 ( 1.137 -1.428 -1.226) 2.199 3.769 ( -4.332 -1.700 -11.550) 12.452 3.993 ( 4.140 3.008 -4.382) 6.738 4.652 ( -9.143 -0.884 -27.790) 29.269 6.379 ( 7.401 1.139 5.240) 9.139 6.753 ( 3.141 -0.339 -8.387) 8.962 26.126 ( -0.611 -0.100 46.423) 46.427 27.264 ( 0.537 -0.093 11.479) 11.492 27.693 ( -1.401 0.199 -1.547) 2.097 29.209 ( -0.963 -0.003 -45.961) 45.971 97.253 ( -1.035 0.011 15.513) 15.547 98.075 ( 0.008 -0.013 -9.765) 9.765 ======================= Grid point 634 (194/258) ======================= q-point: (-0.58 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -2.156 1.231 2.044) 3.216 1.507 ( -1.092 -1.787 -0.766) 2.230 1.691 ( -2.673 -0.035 5.541) 6.152 2.028 ( -2.779 4.711 -3.797) 6.659 2.177 ( 2.740 -1.733 4.060) 5.195 2.364 ( 1.569 -2.397 -0.251) 2.876 3.436 ( 5.106 -1.046 -0.842) 5.280 3.695 ( -4.522 -3.074 -11.430) 12.670 4.025 ( 1.690 4.006 -4.145) 6.007 4.516 ( -7.182 -4.824 -25.102) 26.551 6.532 ( 10.345 4.453 5.040) 12.339 6.884 ( 10.564 1.271 -7.500) 13.017 26.122 ( -0.030 -0.462 46.294) 46.296 27.233 ( -3.618 0.203 10.600) 11.203 27.631 ( -4.938 -0.513 -1.516) 5.191 29.217 ( 1.602 -0.527 -46.199) 46.230 97.242 ( -0.312 -0.543 15.424) 15.437 98.076 ( 0.147 -0.024 -10.285) 10.286 ======================= Grid point 635 (195/258) ======================= q-point: (-0.50 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -4.118 0.985 3.507) 5.498 1.489 ( -1.602 -1.403 -0.593) 2.211 1.629 ( -3.877 0.042 4.667) 6.067 1.928 ( -4.361 1.604 -2.600) 5.324 2.265 ( 4.576 -0.903 3.002) 5.547 2.397 ( 1.008 0.599 1.072) 1.589 3.516 ( 0.367 -1.327 -2.109) 2.518 3.689 ( 3.098 -2.686 -4.987) 6.456 3.996 ( -1.381 4.189 -2.053) 4.865 4.443 ( -6.020 -9.580 -23.280) 25.884 6.707 ( 12.176 7.369 6.820) 15.782 7.126 ( 15.742 3.661 -6.863) 17.558 26.133 ( 0.571 -1.022 45.987) 46.002 27.130 ( -6.365 0.590 8.822) 10.895 27.516 ( -7.484 -1.236 -1.879) 7.814 29.273 ( 3.235 -1.224 -47.029) 47.156 97.251 ( 0.544 -1.332 15.053) 15.122 98.081 ( 0.346 -0.061 -10.837) 10.843 ======================= Grid point 636 (196/258) ======================= q-point: (-0.42 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -4.232 0.867 5.798) 7.230 1.478 ( -0.530 -1.067 -0.279) 1.224 1.541 ( -5.011 -0.524 4.164) 6.537 1.849 ( -4.271 -2.913 -2.545) 5.762 2.346 ( 3.288 1.817 3.690) 5.266 2.396 ( 0.820 2.756 2.164) 3.598 3.499 ( -2.516 -3.222 -0.445) 4.112 3.801 ( 5.655 1.006 0.569) 5.771 3.914 ( -3.899 3.572 0.975) 5.377 4.430 ( -4.487 -14.542 -21.552) 26.384 6.888 ( 12.627 8.597 9.861) 18.182 7.414 ( 17.314 6.564 -6.261) 19.546 26.161 ( 1.268 -1.775 45.688) 45.740 26.992 ( -7.013 0.846 6.762) 9.779 27.365 ( -8.908 -1.324 -2.554) 9.361 29.353 ( 3.619 -1.897 -48.394) 48.566 97.283 ( 1.426 -2.299 14.327) 14.580 98.091 ( 0.590 -0.097 -11.341) 11.357 ======================= Grid point 637 (197/258) ======================= q-point: (-0.33 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -2.172 -0.051 8.725) 8.992 1.420 ( -5.209 0.398 7.354) 9.021 1.517 ( 0.665 -3.271 -2.884) 4.411 1.807 ( -3.816 -6.964 -3.506) 8.681 2.326 ( -0.392 7.437 6.612) 9.959 2.424 ( 2.580 1.900 1.524) 3.548 3.489 ( -1.024 -3.654 4.364) 5.783 3.797 ( -5.219 2.302 4.391) 7.198 3.867 ( 2.076 1.675 0.814) 2.789 4.484 ( -2.210 -15.945 -18.532) 24.547 7.056 ( 10.787 7.893 13.081) 18.702 7.672 ( 14.848 9.412 -5.629) 18.459 26.208 ( 1.895 -2.617 45.664) 45.778 26.859 ( -5.815 0.952 4.845) 7.628 27.200 ( -8.672 -0.678 -3.377) 9.331 29.434 ( 3.000 -2.361 -49.808) 49.955 97.339 ( 2.002 -3.430 13.093) 13.683 98.105 ( 0.734 -0.057 -11.734) 11.757 ======================= Grid point 638 (198/258) ======================= q-point: (-0.25 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 1.582 -1.893 10.924) 11.199 1.319 ( -5.566 -1.889 9.337) 11.033 1.562 ( 1.476 -2.047 -3.319) 4.170 1.808 ( -2.505 -9.962 -4.490) 11.211 2.248 ( -0.628 9.974 8.836) 13.340 2.443 ( 1.305 3.200 1.160) 3.645 3.515 ( 0.960 -3.361 8.452) 9.147 3.683 ( -4.785 1.333 6.361) 8.071 3.884 ( 0.376 -1.134 0.619) 1.345 4.565 ( -1.164 -13.469 -16.140) 21.054 7.174 ( 6.382 5.736 15.105) 17.372 7.824 ( 8.560 11.814 -5.027) 15.431 26.268 ( 1.803 -3.322 46.162) 46.316 26.762 ( -3.292 0.949 3.423) 4.843 27.056 ( -5.887 0.268 -4.288) 7.288 29.499 ( 1.698 -2.487 -50.696) 50.785 97.406 ( 1.673 -4.508 11.376) 12.350 98.118 ( 0.547 0.149 -11.884) 11.897 ======================= Grid point 639 (199/258) ======================= q-point: (-0.17 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -0.000 2.504 8.547) 8.906 1.269 ( 0.000 -9.696 14.209) 17.202 1.590 ( 0.000 -1.202 -3.675) 3.866 1.861 ( 0.000 -9.978 -3.923) 10.722 2.162 ( -0.000 10.670 10.033) 14.646 2.427 ( -0.000 4.171 0.269) 4.180 3.562 ( 0.000 -3.239 10.838) 11.312 3.614 ( -0.000 0.887 6.996) 7.052 3.905 ( 0.000 -2.470 0.697) 2.566 4.643 ( 0.000 -11.118 -16.105) 19.570 7.206 ( -0.000 2.997 14.764) 15.065 7.813 ( -0.000 13.324 -4.309) 14.004 26.315 ( 0.000 -3.396 46.713) 46.836 26.722 ( -0.000 0.853 2.891) 3.015 26.990 ( -0.000 0.708 -4.887) 4.938 29.534 ( 0.000 -2.256 -50.765) 50.815 97.461 ( 0.000 -4.870 9.863) 11.000 98.121 ( -0.000 0.461 -11.552) 11.561 ======================= Grid point 644 (200/258) ======================= q-point: ( 0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 2.052 -0.000 0.275) 2.071 1.468 ( -0.452 0.000 -0.783) 0.904 1.737 ( -0.983 0.000 7.998) 8.058 2.084 ( 0.262 -0.000 -1.047) 1.079 2.220 ( -3.069 0.000 -1.089) 3.257 2.246 ( 3.011 -0.000 1.643) 3.430 3.349 ( 1.376 -0.000 -1.629) 2.132 3.756 ( -4.554 0.000 -12.383) 13.194 4.017 ( 4.192 -0.000 -3.912) 5.734 4.645 ( -10.379 0.000 -26.772) 28.713 6.388 ( 8.390 -0.000 4.776) 9.654 6.750 ( 3.670 -0.000 -8.294) 9.070 26.125 ( -0.706 0.000 46.421) 46.426 27.264 ( 0.615 -0.000 11.449) 11.465 27.695 ( -1.613 0.000 -1.517) 2.214 29.209 ( -1.112 0.000 -45.956) 45.970 97.253 ( -1.195 0.000 15.510) 15.556 98.075 ( 0.010 -0.000 -9.760) 9.760 ======================= Grid point 645 (201/258) ======================= q-point: (-0.67 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -1.958 2.402 0.531) 3.144 1.466 ( -1.539 -3.109 -0.844) 3.570 1.701 ( -2.253 0.716 7.155) 7.535 2.082 ( -3.016 1.746 -3.938) 5.259 2.165 ( 1.519 0.356 2.340) 2.812 2.324 ( 3.377 -2.160 0.554) 4.046 3.425 ( 5.904 -0.351 -1.748) 6.167 3.658 ( -5.600 -1.484 -13.276) 14.485 4.070 ( 1.735 1.698 -3.833) 4.537 4.466 ( -8.631 -1.722 -22.496) 24.156 6.580 ( 11.553 1.685 4.279) 12.434 6.897 ( 11.388 0.408 -7.080) 13.416 26.117 ( -0.228 -0.184 46.281) 46.282 27.235 ( -3.443 0.062 10.471) 11.023 27.626 ( -5.299 -0.159 -1.396) 5.483 29.212 ( 1.327 -0.194 -46.194) 46.213 97.236 ( -0.602 -0.196 15.436) 15.449 98.076 ( 0.131 -0.012 -10.407) 10.408 ======================= Grid point 646 (202/258) ======================= q-point: (-0.58 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -3.905 2.071 1.785) 4.767 1.448 ( -2.641 -3.575 -1.061) 4.569 1.643 ( -2.974 1.378 5.951) 6.794 1.960 ( -6.518 1.989 -2.528) 7.268 2.251 ( 5.446 -0.638 1.915) 5.808 2.396 ( 2.767 -0.564 0.765) 2.926 3.513 ( -0.603 1.103 -5.727) 5.863 3.629 ( 3.999 -4.887 -5.471) 8.355 4.054 ( -1.476 3.171 -2.307) 4.190 4.335 ( -7.590 -4.816 -19.083) 21.094 6.796 ( 12.801 4.242 6.154) 14.823 7.168 ( 16.859 1.856 -6.096) 18.023 26.120 ( 0.230 -0.628 45.951) 45.956 27.137 ( -6.200 0.332 8.590) 10.599 27.502 ( -7.643 -0.660 -1.679) 7.853 29.258 ( 2.895 -0.712 -47.061) 47.156 97.235 ( 0.149 -0.744 15.123) 15.142 98.080 ( 0.298 -0.058 -11.162) 11.166 ======================= Grid point 647 (203/258) ======================= q-point: (-0.50 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -4.108 1.829 3.445) 5.665 1.431 ( -1.838 -4.430 -1.871) 5.148 1.560 ( -4.272 2.260 5.296) 7.170 1.824 ( -6.629 -0.671 -1.644) 6.863 2.357 ( 5.043 0.293 2.170) 5.497 2.434 ( 1.716 1.975 1.932) 3.253 3.463 ( -2.885 -1.525 -3.686) 4.923 3.788 ( 6.820 -2.432 0.158) 7.242 3.971 ( -4.170 3.718 -0.188) 5.590 4.249 ( -6.289 -9.203 -17.144) 20.450 7.003 ( 12.502 6.320 9.673) 17.024 7.494 ( 18.424 4.047 -5.358) 19.609 26.137 ( 0.770 -1.350 45.633) 45.659 27.003 ( -6.932 0.625 6.479) 9.509 27.348 ( -8.592 -0.899 -2.354) 8.954 29.327 ( 3.283 -1.409 -48.556) 48.687 97.254 ( 0.916 -1.573 14.575) 14.689 98.089 ( 0.506 -0.158 -11.881) 11.893 ======================= Grid point 648 (204/258) ======================= q-point: (-0.42 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -2.919 1.163 5.774) 6.574 1.442 ( -4.073 -0.401 2.475) 4.782 1.456 ( -0.931 -2.214 0.304) 2.421 1.723 ( -5.726 -4.329 -2.197) 7.507 2.419 ( 1.666 4.595 4.563) 6.687 2.448 ( 2.674 1.753 1.826) 3.682 3.441 ( -0.939 -2.644 2.254) 3.599 3.834 ( -4.683 2.445 3.470) 6.321 3.887 ( -0.067 1.020 0.149) 1.033 4.257 ( -1.452 -13.642 -15.248) 20.511 7.175 ( 10.255 7.396 13.636) 18.596 7.792 ( 15.659 6.437 -4.867) 17.616 26.170 ( 1.289 -2.300 45.633) 45.709 26.872 ( -5.785 0.823 4.601) 7.438 27.191 ( -7.965 -0.493 -3.310) 8.640 29.400 ( 2.738 -2.094 -50.193) 50.311 97.293 ( 1.386 -2.639 13.749) 14.068 98.102 ( 0.645 -0.284 -12.466) 12.486 ======================= Grid point 649 (205/258) ======================= q-point: (-0.33 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -0.599 -1.231 8.588) 8.696 1.330 ( -4.310 2.535 6.628) 8.303 1.516 ( 2.082 -4.530 -3.121) 5.882 1.669 ( -4.400 -8.022 -3.917) 9.952 2.383 ( 0.163 7.774 6.498) 10.133 2.483 ( 1.752 2.217 2.081) 3.509 3.465 ( 0.911 -3.267 7.738) 8.448 3.713 ( -4.714 2.700 4.032) 6.765 3.865 ( -1.800 -1.475 0.116) 2.330 4.360 ( 0.566 -13.255 -12.883) 18.493 7.278 ( 5.901 7.454 16.559) 19.094 7.979 ( 9.013 8.688 -4.747) 13.389 26.218 ( 1.271 -3.285 46.138) 46.272 26.776 ( -3.282 0.942 3.265) 4.724 27.060 ( -5.202 0.332 -4.351) 6.790 29.460 ( 1.563 -2.572 -51.304) 51.392 97.343 ( 1.157 -3.808 12.661) 13.272 98.116 ( 0.507 -0.321 -12.800) 12.814 ======================= Grid point 650 (206/258) ======================= q-point: (-0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.000 -5.314 11.195) 12.392 1.256 ( -0.000 3.420 7.340) 8.098 1.567 ( 0.000 -1.880 -2.634) 3.236 1.696 ( 0.000 -11.407 -5.447) 12.640 2.318 ( -0.000 9.526 8.160) 12.543 2.480 ( -0.000 2.930 1.825) 3.452 3.508 ( 0.000 -3.803 10.896) 11.540 3.639 ( -0.000 2.450 4.082) 4.761 3.864 ( 0.000 -2.890 0.330) 2.909 4.461 ( 0.000 -12.501 -13.202) 18.182 7.283 ( -0.000 6.727 17.165) 18.436 7.995 ( -0.000 10.653 -4.887) 11.721 26.259 ( 0.000 -3.810 46.641) 46.797 26.736 ( -0.000 0.985 2.781) 2.951 27.002 ( -0.000 0.817 -4.916) 4.983 29.496 ( 0.000 -2.708 -51.463) 51.534 97.387 ( 0.000 -4.630 11.648) 12.535 98.123 ( 0.000 -0.146 -12.657) 12.658 ======================= Grid point 657 (207/258) ======================= q-point: (-0.67 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -3.989 0.000 0.333) 4.003 1.406 ( -2.758 0.000 -0.183) 2.764 1.655 ( -2.800 0.000 6.248) 6.847 1.976 ( -7.406 0.000 -2.287) 7.751 2.247 ( 5.750 -0.000 1.136) 5.861 2.389 ( 3.659 -0.000 0.646) 3.716 3.541 ( -5.472 0.000 -11.425) 12.668 3.570 ( 8.638 -0.000 -1.451) 8.759 4.080 ( -1.378 0.000 -2.468) 2.827 4.298 ( -8.083 0.000 -17.286) 19.082 6.828 ( 13.016 -0.000 5.909) 14.295 7.182 ( 17.235 -0.000 -5.787) 18.181 26.115 ( 0.107 -0.000 45.935) 45.936 27.140 ( -6.134 0.000 8.499) 10.481 27.497 ( -7.708 0.000 -1.600) 7.872 29.252 ( 2.769 -0.000 -47.071) 47.153 97.229 ( 0.011 -0.000 15.144) 15.144 98.080 ( 0.275 -0.000 -11.277) 11.280 ======================= Grid point 659 (208/258) ======================= q-point: (-0.58 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -3.701 2.527 0.981) 4.587 1.365 ( -2.823 -3.721 -0.759) 4.732 1.589 ( -3.662 1.196 5.040) 6.344 1.820 ( -8.367 -0.099 -0.816) 8.408 2.361 ( 5.719 0.206 1.427) 5.898 2.452 ( 2.813 0.505 1.012) 3.032 3.451 ( -3.578 -0.263 -6.111) 7.086 3.748 ( 8.152 -2.025 -0.901) 8.448 4.017 ( -4.279 2.021 -1.043) 4.845 4.156 ( -7.533 -3.205 -12.935) 15.308 7.069 ( 12.505 2.322 9.493) 15.871 7.535 ( 18.947 1.341 -4.701) 19.568 26.122 ( 0.490 -0.504 45.588) 45.594 27.010 ( -6.884 0.230 6.304) 9.337 27.339 ( -8.414 -0.315 -2.228) 8.709 29.312 ( 3.084 -0.520 -48.642) 48.742 97.238 ( 0.657 -0.555 14.688) 14.714 98.087 ( 0.436 -0.074 -12.164) 12.172 ======================= Grid point 660 (209/258) ======================= q-point: (-0.50 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -2.761 3.122 2.295) 4.758 1.361 ( -1.197 -6.031 -2.214) 6.535 1.494 ( -4.450 2.911 4.414) 6.911 1.672 ( -7.425 -2.528 -0.345) 7.851 2.455 ( 4.226 1.066 2.183) 4.875 2.486 ( 1.734 2.315 2.046) 3.543 3.411 ( -1.203 -1.380 0.783) 1.992 3.860 ( -0.217 0.708 0.938) 1.194 3.905 ( -4.095 1.668 -0.467) 4.446 4.090 ( -2.053 -8.298 -10.713) 13.706 7.266 ( 10.071 4.403 13.729) 17.587 7.864 ( 16.044 3.172 -3.924) 16.818 26.142 ( 0.872 -1.341 45.565) 45.593 26.882 ( -5.770 0.475 4.410) 7.278 27.185 ( -7.458 -0.249 -3.243) 8.136 29.374 ( 2.536 -1.228 -50.453) 50.531 97.262 ( 1.028 -1.408 14.101) 14.208 98.098 ( 0.529 -0.242 -12.907) 12.920 ======================= Grid point 661 (210/258) ======================= q-point: (-0.42 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -1.421 2.186 4.337) 5.060 1.376 ( -2.951 2.386 3.879) 5.426 1.424 ( 0.635 -6.441 -2.542) 6.954 1.577 ( -5.248 -4.555 -1.243) 7.059 2.478 ( 0.766 4.862 3.905) 6.283 2.511 ( 2.144 1.598 2.353) 3.562 3.421 ( 0.561 -2.424 7.418) 7.824 3.761 ( -4.284 3.531 0.979) 5.637 3.843 ( -3.373 -1.359 -0.546) 3.678 4.180 ( 1.864 -10.392 -8.830) 13.764 7.382 ( 5.705 5.959 17.052) 18.943 8.082 ( 9.198 5.089 -3.684) 11.139 26.174 ( 0.867 -2.383 46.021) 46.091 26.789 ( -3.269 0.686 3.121) 4.572 27.065 ( -4.661 0.275 -4.378) 6.401 29.426 ( 1.436 -1.929 -51.784) 51.839 97.295 ( 0.835 -2.451 13.429) 13.677 98.110 ( 0.410 -0.445 -13.373) 13.386 ======================= Grid point 662 (211/258) ======================= q-point: (-0.33 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.000 -0.298 6.812) 6.819 1.312 ( -0.000 3.973 5.807) 7.036 1.526 ( 0.000 -11.061 -5.347) 12.285 1.534 ( 0.000 -2.604 -1.239) 2.884 2.441 ( -0.000 6.738 5.373) 8.618 2.518 ( -0.000 2.192 2.435) 3.277 3.453 ( 0.000 -3.352 10.951) 11.452 3.686 ( -0.000 3.708 0.872) 3.809 3.822 ( 0.000 -2.538 -0.049) 2.538 4.280 ( 0.000 -11.235 -9.644) 14.807 7.390 ( -0.000 6.934 18.150) 19.430 8.128 ( -0.000 6.992 -4.038) 8.074 26.205 ( 0.000 -3.220 46.462) 46.573 26.750 ( -0.000 0.853 2.671) 2.804 27.013 ( -0.000 0.707 -4.944) 4.995 29.456 ( 0.000 -2.422 -52.092) 52.148 97.326 ( 0.000 -3.398 12.843) 13.285 98.118 ( 0.000 -0.506 -13.390) 13.400 ======================= Grid point 671 (212/258) ======================= q-point: (-0.58 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -1.850 0.000 -0.373) 1.887 1.294 ( -2.422 0.000 -0.612) 2.498 1.520 ( -3.845 0.000 3.719) 5.349 1.651 ( -8.503 0.000 0.661) 8.529 2.463 ( 4.464 -0.000 1.976) 4.882 2.503 ( 2.097 -0.000 1.268) 2.450 3.400 ( -1.394 0.000 0.233) 1.414 3.862 ( 2.531 -0.000 -1.252) 2.824 3.926 ( -5.630 0.000 -1.096) 5.736 4.021 ( -3.196 0.000 -7.313) 7.981 7.300 ( 10.032 -0.000 13.716) 16.993 7.887 ( 16.154 -0.000 -3.517) 16.532 26.132 ( 0.725 -0.000 45.531) 45.537 26.886 ( -5.766 0.000 4.337) 7.215 27.183 ( -7.275 0.000 -3.214) 7.953 29.365 ( 2.460 -0.000 -50.544) 50.604 97.251 ( 0.913 -0.000 14.207) 14.237 98.096 ( 0.478 -0.000 -13.051) 13.060 ======================= Grid point 673 (213/258) ======================= q-point: (-0.50 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -0.925 5.120 0.274) 5.210 1.297 ( -0.330 -7.209 -2.307) 7.577 1.440 ( -3.176 3.129 3.157) 5.463 1.519 ( -5.502 -3.099 1.078) 6.407 2.527 ( 1.829 1.323 2.433) 3.318 2.530 ( 1.605 0.968 2.133) 2.840 3.395 ( 0.304 -0.911 7.304) 7.367 3.810 ( -3.981 2.418 -2.136) 5.124 3.827 ( -4.109 -0.634 -1.478) 4.413 4.062 ( 2.549 -4.698 -4.549) 7.018 7.446 ( 5.644 2.252 17.145) 18.190 8.133 ( 9.253 1.648 -2.844) 9.819 26.149 ( 0.654 -0.868 45.919) 45.932 26.796 ( -3.261 0.251 3.036) 4.462 27.068 ( -4.369 0.106 -4.385) 6.191 29.405 ( 1.358 -0.715 -52.045) 52.067 97.270 ( 0.687 -0.837 13.764) 13.807 98.104 ( 0.338 -0.198 -13.637) 13.643 ======================= Grid point 674 (214/258) ======================= q-point: (-0.42 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.000 4.210 2.147) 4.726 1.368 ( 0.000 -9.842 -4.103) 10.663 1.374 ( -0.000 4.096 4.053) 5.763 1.489 ( 0.000 -3.290 0.432) 3.318 2.518 ( -0.000 3.529 2.984) 4.622 2.544 ( -0.000 1.263 2.673) 2.957 3.412 ( 0.000 -1.961 10.989) 11.162 3.744 ( -0.000 3.669 -2.622) 4.510 3.791 ( 0.000 -1.480 -0.336) 1.518 4.135 ( 0.000 -7.638 -5.748) 9.560 7.477 ( -0.000 4.263 18.427) 18.914 8.205 ( -0.000 3.362 -2.920) 4.453 26.167 ( 0.000 -1.830 46.275) 46.311 26.761 ( -0.000 0.493 2.591) 2.637 27.022 ( -0.000 0.408 -4.965) 4.982 29.427 ( 0.000 -1.427 -52.517) 52.537 97.287 ( 0.000 -1.759 13.461) 13.576 98.110 ( 0.000 -0.410 -13.779) 13.785 ======================= Grid point 686 (215/258) ======================= q-point: ( 0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -0.000 0.000 -1.854) 1.854 1.245 ( 0.000 -0.000 -1.416) 1.416 1.427 ( -0.000 0.000 2.176) 2.176 1.442 ( 0.000 -0.000 2.283) 2.283 2.545 ( -0.000 0.000 1.946) 1.946 2.554 ( -0.000 0.000 2.840) 2.840 3.397 ( -0.000 0.000 11.002) 11.002 3.777 ( -0.000 0.000 -4.919) 4.919 3.780 ( -0.000 0.000 -0.442) 0.442 4.072 ( -0.000 0.000 -3.280) 3.280 7.510 ( -0.000 0.000 18.463) 18.463 8.230 ( -0.000 0.000 -2.434) 2.434 26.153 ( -0.000 0.000 46.196) 46.196 26.765 ( -0.000 0.000 2.561) 2.561 27.025 ( -0.000 0.000 -4.973) 4.973 29.416 ( -0.000 0.000 -52.667) 52.667 97.274 ( -0.000 0.000 13.645) 13.645 98.107 ( -0.000 0.000 -13.897) 13.897 ======================= Grid point 755 (216/258) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 0.000 7.779) 7.779 1.497 ( 0.000 0.000 -6.161) 6.161 1.838 ( 0.000 0.000 11.110) 11.110 1.973 ( 0.000 0.000 1.408) 1.408 2.152 ( 0.000 0.000 -2.993) 2.993 2.175 ( 0.000 0.000 -1.545) 1.545 3.810 ( 0.000 0.000 7.630) 7.630 3.924 ( 0.000 0.000 -3.257) 3.257 3.934 ( 0.000 0.000 20.181) 20.181 4.393 ( 0.000 0.000 -22.731) 22.731 7.382 ( 0.000 0.000 6.153) 6.153 7.480 ( 0.000 0.000 -2.952) 2.952 26.782 ( 0.000 0.000 4.131) 4.131 26.876 ( 0.000 0.000 -4.824) 4.824 27.399 ( 0.000 0.000 51.776) 51.776 28.494 ( 0.000 0.000 -53.030) 53.030 97.714 ( 0.000 0.000 8.564) 8.564 97.904 ( 0.000 0.000 -9.557) 9.557 ======================= Grid point 756 (217/258) ======================= q-point: ( 0.08 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -0.742 -0.209 7.725) 7.763 1.483 ( -1.226 0.030 -5.632) 5.764 1.809 ( 1.197 8.292 10.777) 13.650 1.980 ( 1.504 5.276 -4.069) 6.831 2.148 ( 0.695 -3.249 3.569) 4.876 2.229 ( 0.118 -8.460 -3.085) 9.006 3.808 ( 0.141 0.565 6.271) 6.298 3.893 ( -2.740 0.594 -1.700) 3.279 3.936 ( 0.606 1.393 19.522) 19.581 4.402 ( 1.631 2.877 -23.352) 23.585 7.298 ( -8.798 -1.547 7.169) 11.454 7.420 ( -7.754 -4.200 -4.294) 9.808 26.826 ( 4.319 -0.194 4.456) 6.209 26.915 ( 3.671 -0.148 -2.925) 4.696 27.399 ( 0.403 0.940 49.603) 49.614 28.479 ( -1.224 0.845 -52.733) 52.754 97.699 ( -1.146 0.824 9.257) 9.364 97.898 ( -0.417 0.266 -9.848) 9.861 ======================= Grid point 757 (218/258) ======================= q-point: ( 0.17 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -0.160 -0.197 7.269) 7.273 1.458 ( -1.118 0.031 -4.594) 4.728 1.779 ( 2.212 8.087 9.510) 12.678 1.951 ( 1.455 8.634 -6.719) 11.037 2.217 ( 1.528 -7.085 4.869) 8.731 2.288 ( -0.274 -7.158 -1.964) 7.428 3.807 ( -0.229 -0.066 3.144) 3.153 3.821 ( -4.323 -0.708 0.972) 4.487 3.928 ( 0.327 3.589 18.062) 18.418 4.396 ( 1.103 6.733 -24.561) 25.491 7.089 ( -14.276 -4.300 8.735) 17.280 7.252 ( -13.271 -6.344 -6.696) 16.162 26.945 ( 7.478 -0.225 5.247) 9.138 27.004 ( 4.905 -0.044 5.419) 7.309 27.409 ( 1.886 1.505 40.579) 40.651 28.436 ( -2.254 1.415 -51.852) 51.920 97.663 ( -1.594 1.287 10.822) 11.014 97.885 ( -0.609 0.510 -10.520) 10.550 ======================= Grid point 758 (219/258) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 1.324 -0.524 5.983) 6.150 1.446 ( -0.099 -0.319 -3.478) 3.494 1.774 ( 2.672 5.985 7.938) 10.295 1.921 ( 1.636 7.030 -6.021) 9.400 2.291 ( 0.852 -5.501 2.822) 6.241 2.322 ( -0.880 -4.901 -0.239) 4.985 3.733 ( -5.804 -2.631 4.251) 7.661 3.802 ( -1.596 -1.642 -1.108) 2.544 3.895 ( 0.063 5.731 14.914) 15.977 4.336 ( -0.717 9.835 -25.100) 26.968 6.841 ( -14.840 -6.510 9.265) 18.667 7.024 ( -14.735 -6.855 -8.298) 18.247 27.079 ( 3.637 0.487 21.897) 22.202 27.113 ( 8.436 -0.435 7.205) 11.102 27.457 ( 4.221 1.650 22.299) 22.755 28.373 ( -2.994 1.582 -50.577) 50.691 97.624 ( -1.380 1.355 12.398) 12.547 97.869 ( -0.536 0.635 -11.243) 11.274 ======================= Grid point 759 (220/258) ======================= q-point: ( 0.33 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 2.322 -1.007 4.249) 4.945 1.460 ( 0.967 -1.006 -2.325) 2.711 1.790 ( 2.659 3.947 6.386) 7.964 1.908 ( 1.651 4.883 -4.896) 7.109 2.312 ( -1.757 -2.703 2.447) 4.047 2.342 ( -0.227 -3.247 -0.454) 3.286 3.634 ( -6.782 -3.491 6.382) 9.946 3.760 ( -3.289 -0.231 -3.622) 4.898 3.860 ( 0.450 4.145 9.228) 10.126 4.235 ( -1.696 9.414 -24.118) 25.946 6.635 ( -11.115 -6.553 8.296) 15.339 6.807 ( -12.118 -5.789 -8.345) 15.811 27.119 ( 1.358 0.411 39.296) 39.322 27.284 ( 8.357 -0.329 6.747) 10.746 27.535 ( 4.629 1.575 5.824) 7.604 28.300 ( -3.279 1.368 -49.548) 49.675 97.592 ( -0.906 1.117 13.550) 13.626 97.856 ( -0.339 0.578 -11.831) 11.850 ======================= Grid point 760 (221/258) ======================= q-point: ( 0.42 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 1.790 -0.886 3.121) 3.705 1.492 ( 1.212 -1.203 -1.646) 2.372 1.812 ( 1.828 2.085 5.012) 5.728 1.908 ( 1.174 2.728 -4.011) 4.991 2.288 ( -1.750 -0.964 3.613) 4.129 2.349 ( -0.800 -1.465 -2.158) 2.729 3.534 ( -5.154 -1.986 7.318) 9.169 3.697 ( -2.450 0.821 -7.088) 7.544 3.847 ( 0.191 1.502 5.786) 5.981 4.150 ( -1.064 5.220 -22.139) 22.771 6.514 ( -5.551 -4.057 6.616) 9.542 6.656 ( -6.742 -3.282 -7.315) 10.475 27.134 ( 0.511 0.201 47.436) 47.440 27.425 ( 5.551 -0.314 8.121) 9.842 27.597 ( 2.630 1.110 -2.521) 3.808 28.233 ( -2.481 0.822 -49.589) 49.658 97.572 ( -0.431 0.635 14.217) 14.238 97.848 ( -0.150 0.343 -12.213) 12.219 ======================= Grid point 761 (222/258) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 -0.000 2.898) 2.898 1.511 ( -0.000 -0.000 -1.543) 1.543 1.823 ( 0.000 -0.000 4.364) 4.364 1.910 ( 0.000 -0.000 -3.686) 3.686 2.272 ( 0.000 -0.000 4.053) 4.053 2.344 ( 0.000 -0.000 -2.798) 2.798 3.487 ( 0.000 -0.000 7.507) 7.507 3.669 ( 0.000 0.000 -9.059) 9.059 3.843 ( 0.000 -0.000 5.037) 5.037 4.120 ( 0.000 0.000 -21.128) 21.128 6.477 ( 0.000 -0.000 5.758) 5.758 6.602 ( 0.000 -0.000 -6.656) 6.656 27.138 ( 0.000 -0.000 49.756) 49.756 27.484 ( 0.000 -0.000 9.567) 9.567 27.618 ( 0.000 -0.000 -5.369) 5.369 28.204 ( 0.000 -0.000 -50.087) 50.087 97.566 ( 0.000 -0.000 14.434) 14.434 97.845 ( 0.000 -0.000 -12.346) 12.346 ======================= Grid point 769 (223/258) ======================= q-point: ( 0.08 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -0.186 0.000 7.330) 7.332 1.458 ( -1.197 0.000 -4.718) 4.867 1.856 ( 0.504 -0.000 10.243) 10.256 2.031 ( 1.071 -0.000 -5.278) 5.385 2.161 ( 1.602 -0.000 1.867) 2.460 2.205 ( 1.416 -0.000 -0.883) 1.669 3.805 ( -0.733 0.000 2.208) 2.326 3.816 ( -5.200 0.000 0.599) 5.234 3.958 ( 0.909 -0.000 20.200) 20.220 4.448 ( 1.518 -0.000 -25.365) 25.411 7.057 ( -14.636 0.000 7.771) 16.572 7.201 ( -12.726 0.000 -5.783) 13.978 26.943 ( 7.561 -0.000 5.244) 9.202 27.004 ( 4.977 -0.000 5.176) 7.181 27.421 ( 1.750 -0.000 40.798) 40.835 28.447 ( -2.361 0.000 -51.765) 51.819 97.673 ( -1.720 0.000 10.511) 10.651 97.889 ( -0.625 0.000 -10.224) 10.243 ======================= Grid point 770 (224/258) ======================= q-point: ( 0.17 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 1.026 -0.259 6.109) 6.200 1.442 ( -0.416 -0.159 -3.613) 3.640 1.853 ( 0.985 3.466 8.978) 9.674 2.016 ( 0.040 4.598 -6.721) 8.143 2.220 ( 2.455 -3.107 2.682) 4.783 2.248 ( 0.648 -3.907 -0.066) 3.961 3.702 ( -6.684 -1.143 3.832) 7.789 3.779 ( -2.287 -0.878 -2.788) 3.712 3.963 ( 0.532 2.594 18.304) 18.494 4.442 ( -0.968 3.773 -26.493) 26.778 6.772 ( -14.744 -2.433 8.999) 17.443 6.950 ( -13.724 -2.719 -7.935) 16.084 27.085 ( 3.317 0.247 21.998) 22.248 27.107 ( 8.849 -0.248 6.398) 10.922 27.474 ( 4.026 0.625 22.939) 23.298 28.390 ( -3.236 0.578 -50.444) 50.551 97.638 ( -1.621 0.508 12.037) 12.156 97.876 ( -0.609 0.224 -10.844) 10.864 ======================= Grid point 771 (225/258) ======================= q-point: ( 0.25 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 2.014 -0.833 4.268) 4.792 1.446 ( 0.442 -0.753 -2.443) 2.594 1.851 ( 1.646 3.699 7.447) 8.476 1.985 ( 0.568 4.780 -5.449) 7.271 2.267 ( -0.416 -2.799 1.998) 3.464 2.287 ( 0.615 -3.737 0.045) 3.788 3.583 ( -6.896 -2.725 6.249) 9.697 3.730 ( -3.918 -2.133 -6.982) 8.285 3.942 ( 0.256 4.695 13.737) 14.520 4.356 ( -3.746 6.011 -25.324) 26.295 6.555 ( -9.650 -3.891 8.733) 13.584 6.734 ( -10.484 -3.624 -8.621) 14.049 27.124 ( 1.175 0.197 38.507) 38.525 27.280 ( 8.357 -0.233 6.771) 10.758 27.555 ( 4.417 0.987 6.438) 7.869 28.317 ( -3.641 0.795 -49.354) 49.495 97.606 ( -1.242 0.657 13.268) 13.342 97.863 ( -0.491 0.325 -11.469) 11.484 ======================= Grid point 772 (226/258) ======================= q-point: ( 0.33 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 1.845 -1.187 2.686) 3.468 1.469 ( 0.969 -1.619 -1.605) 2.477 1.854 ( 1.125 3.234 6.184) 7.069 1.965 ( 0.667 4.281 -4.373) 6.156 2.264 ( -1.345 -1.949 3.069) 3.876 2.314 ( -0.436 -3.030 -1.672) 3.488 3.488 ( -4.924 -3.381 7.154) 9.320 3.667 ( -4.313 -3.139 -9.202) 10.637 3.912 ( 0.626 5.194 8.140) 9.676 4.232 ( -4.133 5.006 -22.329) 23.254 6.462 ( -2.751 -2.819 6.981) 8.016 6.611 ( -4.481 -2.585 -7.664) 9.246 27.136 ( 0.291 0.050 46.877) 46.878 27.420 ( 5.498 -0.369 7.865) 9.604 27.614 ( 2.225 1.030 -1.925) 3.118 28.244 ( -2.988 0.624 -49.352) 49.447 97.581 ( -0.860 0.472 14.061) 14.095 97.852 ( -0.376 0.246 -11.992) 12.000 ======================= Grid point 773 (227/258) ======================= q-point: ( 0.42 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.249 -1.001 2.507) 2.711 1.499 ( 0.415 -1.583 -1.648) 2.323 1.838 ( -0.800 2.008 5.338) 5.758 1.939 ( -0.523 3.421 -4.162) 5.413 2.259 ( -0.121 -1.577 3.866) 4.177 2.328 ( 0.205 -2.103 -2.652) 3.391 3.460 ( -0.197 -3.167 6.785) 7.491 3.624 ( -2.755 -4.479 -8.195) 9.737 3.891 ( 1.177 4.888 3.549) 6.154 4.137 ( -2.831 1.917 -19.795) 20.088 6.480 ( 3.355 0.342 5.557) 6.500 6.602 ( 2.502 -0.051 -6.534) 6.997 27.137 ( -0.207 -0.147 49.692) 49.693 27.481 ( 0.157 -0.374 9.157) 9.166 27.622 ( -0.739 0.487 -4.947) 5.025 28.204 ( -0.640 0.039 -50.034) 50.038 97.566 ( -0.490 0.004 14.432) 14.440 97.845 ( -0.271 -0.003 -12.343) 12.346 ======================= Grid point 774 (228/258) ======================= q-point: (-0.50 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -1.728 -0.402 3.135) 3.602 1.499 ( -1.190 -0.497 -1.872) 2.273 1.797 ( -2.466 0.176 5.011) 5.588 1.896 ( -1.947 1.148 -4.268) 4.830 2.288 ( 1.978 -0.949 3.867) 4.446 2.355 ( 1.358 -0.623 -2.475) 2.891 3.529 ( 4.780 -2.646 6.165) 8.238 3.634 ( -0.245 -5.944 -3.253) 6.781 3.881 ( 1.383 4.531 0.367) 4.751 4.093 ( -1.806 -2.067 -19.308) 19.502 6.578 ( 8.477 4.230 5.838) 11.129 6.705 ( 9.138 3.081 -6.645) 11.712 27.130 ( -0.752 -0.364 48.012) 48.019 27.428 ( -5.483 0.003 8.091) 9.774 27.583 ( -3.229 -0.667 -2.890) 4.384 28.221 ( 1.884 -0.786 -49.782) 49.824 97.563 ( -0.056 -0.625 14.385) 14.399 97.842 ( -0.117 -0.351 -12.455) 12.461 ======================= Grid point 775 (229/258) ======================= q-point: (-0.42 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -2.718 0.044 4.168) 4.976 1.470 ( -1.634 -0.001 -2.390) 2.895 1.745 ( -3.425 -1.727 5.598) 6.786 1.853 ( -2.692 -2.071 -4.625) 5.738 2.339 ( 2.789 0.701 2.832) 4.036 2.379 ( 1.240 1.539 -0.975) 2.204 3.650 ( 3.841 -4.042 7.994) 9.746 3.706 ( 4.076 -3.336 2.327) 5.758 3.874 ( 1.074 3.863 -1.313) 4.219 4.100 ( -1.094 -7.538 -21.009) 22.347 6.742 ( 12.842 7.316 7.509) 16.578 6.899 ( 14.082 6.107 -7.683) 17.165 27.112 ( -1.573 -0.603 40.495) 40.530 27.288 ( -8.338 0.229 6.551) 10.606 27.510 ( -4.964 -1.554 4.990) 7.208 28.277 ( 2.772 -1.563 -49.774) 49.875 97.574 ( 0.467 -1.259 13.901) 13.966 97.846 ( 0.120 -0.688 -12.293) 12.313 ======================= Grid point 776 (230/258) ======================= q-point: (-0.33 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -1.889 -0.089 5.747) 6.050 1.448 ( -0.538 -0.312 -3.408) 3.464 1.694 ( -4.052 -4.215 6.812) 8.978 1.824 ( -3.141 -5.367 -5.548) 8.334 2.367 ( 1.063 4.168 2.156) 4.811 2.383 ( 1.778 3.211 0.447) 3.697 3.732 ( 1.063 -6.075 12.429) 13.875 3.804 ( 4.234 1.494 3.244) 5.540 3.866 ( 0.684 2.270 -0.112) 2.373 4.166 ( 0.071 -12.036 -22.567) 25.576 6.957 ( 15.188 8.558 9.351) 19.782 7.142 ( 16.143 8.363 -8.413) 20.033 27.071 ( -3.514 -0.593 23.582) 23.849 27.119 ( -8.372 0.361 6.925) 10.871 27.428 ( -4.580 -2.093 20.988) 21.584 28.344 ( 2.567 -2.163 -50.789) 50.900 97.600 ( 0.996 -1.781 12.956) 13.116 97.857 ( 0.389 -0.913 -11.871) 11.912 ======================= Grid point 777 (231/258) ======================= q-point: (-0.25 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.022 -0.249 7.134) 7.138 1.455 ( 0.881 -0.482 -4.359) 4.473 1.657 ( -4.118 -7.438 8.348) 11.916 1.816 ( -3.011 -8.624 -6.726) 11.343 2.330 ( -0.078 7.161 4.359) 8.383 2.385 ( 1.428 5.505 -1.030) 5.779 3.781 ( -0.451 -4.665 11.320) 12.252 3.837 ( 1.522 1.400 1.294) 2.439 3.883 ( 1.050 -1.134 7.170) 7.335 4.259 ( 0.075 -10.873 -22.263) 24.776 7.182 ( 13.836 7.782 10.337) 18.943 7.375 ( 14.228 9.468 -8.128) 18.925 26.949 ( -7.245 0.397 5.272) 8.969 27.004 ( -4.692 0.007 6.204) 7.778 27.378 ( -2.277 -2.540 39.831) 39.976 28.406 ( 1.958 -2.463 -52.079) 52.174 97.637 ( 1.286 -2.114 11.581) 11.842 97.874 ( 0.541 -0.959 -11.247) 11.301 ======================= Grid point 778 (232/258) ======================= q-point: (-0.17 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 1.039 0.370 7.487) 7.568 1.482 ( 1.299 -0.229 -5.175) 5.340 1.655 ( -2.895 -10.740 10.284) 15.149 1.841 ( -1.889 -10.905 -7.453) 13.343 2.263 ( -0.280 9.116 6.280) 11.074 2.355 ( 0.592 7.646 -2.547) 8.081 3.789 ( -0.816 -2.287 7.504) 7.887 3.873 ( 1.591 -2.015 3.953) 4.714 3.905 ( -0.120 -2.234 10.897) 11.124 4.322 ( -0.622 -7.359 -21.754) 22.973 7.352 ( 8.336 5.670 9.967) 14.177 7.527 ( 8.300 9.313 -6.836) 14.225 26.832 ( -4.239 0.531 4.401) 6.133 26.919 ( -3.502 0.394 -2.757) 4.474 27.372 ( -0.584 -2.555 49.542) 49.611 28.454 ( 1.101 -2.320 -52.946) 53.008 97.676 ( 0.987 -2.128 10.057) 10.327 97.890 ( 0.405 -0.811 -10.537) 10.575 ======================= Grid point 779 (233/258) ======================= q-point: (-0.08 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -0.000 0.638 7.545) 7.572 1.497 ( -0.000 0.016 -5.941) 5.941 1.713 ( 0.000 -11.895 11.361) 16.449 1.904 ( 0.000 -10.176 -6.685) 12.175 2.191 ( -0.000 8.789 6.621) 11.004 2.297 ( -0.000 8.940 -3.488) 9.597 3.796 ( 0.000 -1.774 7.670) 7.872 3.911 ( 0.000 -1.631 -3.324) 3.702 3.915 ( 0.000 -2.383 19.325) 19.472 4.357 ( 0.000 -4.656 -21.937) 22.426 7.402 ( -0.000 3.235 8.458) 9.056 7.545 ( -0.000 7.708 -5.096) 9.241 26.786 ( -0.000 0.429 4.114) 4.137 26.880 ( -0.000 0.402 -4.821) 4.838 27.384 ( 0.000 -1.935 51.821) 51.857 28.481 ( 0.000 -1.718 -53.154) 53.182 97.701 ( 0.000 -1.668 9.061) 9.213 97.900 ( 0.000 -0.543 -9.972) 9.986 ======================= Grid point 782 (234/258) ======================= q-point: ( 0.17 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 1.898 -0.000 4.291) 4.692 1.440 ( 0.235 -0.000 -2.511) 2.522 1.883 ( 1.083 -0.000 8.024) 8.097 2.028 ( -0.217 0.000 -6.019) 6.023 2.246 ( 0.220 -0.000 1.292) 1.310 2.250 ( 1.341 -0.000 0.943) 1.640 3.562 ( -6.985 0.000 6.252) 9.374 3.713 ( -4.069 0.000 -7.387) 8.434 3.979 ( 0.049 -0.000 14.420) 14.420 4.403 ( -4.514 0.000 -25.702) 26.095 6.525 ( -9.059 0.000 8.848) 12.663 6.706 ( -9.834 0.000 -8.662) 13.105 27.125 ( 1.101 -0.000 38.240) 38.256 27.278 ( 8.357 -0.000 6.759) 10.748 27.562 ( 4.344 -0.000 6.655) 7.948 28.323 ( -3.772 0.000 -49.278) 49.422 97.611 ( -1.368 0.000 13.159) 13.230 97.865 ( -0.543 0.000 -11.331) 11.344 ======================= Grid point 783 (235/258) ======================= q-point: ( 0.25 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 1.995 -0.474 2.295) 3.078 1.451 ( 0.558 -0.713 -1.485) 1.740 1.896 ( 0.754 1.758 7.149) 7.401 2.019 ( 0.190 2.243 -4.630) 5.149 2.243 ( -0.653 -0.313 1.731) 1.877 2.267 ( -0.479 -2.704 -0.584) 2.808 3.449 ( -4.822 -1.478 6.894) 8.542 3.630 ( -4.725 -1.384 -9.685) 10.864 3.970 ( 0.116 2.170 8.372) 8.650 4.286 ( -5.989 1.961 -21.891) 22.780 6.433 ( -1.012 -0.988 7.003) 7.144 6.583 ( -3.077 -0.999 -7.735) 8.385 27.136 ( 0.157 -0.001 46.536) 46.536 27.416 ( 5.436 -0.156 7.666) 9.399 27.625 ( 2.027 0.414 -1.540) 2.579 28.251 ( -3.276 0.233 -49.188) 49.297 97.586 ( -1.111 0.174 13.967) 14.012 97.855 ( -0.504 0.089 -11.859) 11.870 ======================= Grid point 784 (236/258) ======================= q-point: ( 0.33 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.507 -0.494 1.504) 1.662 1.471 ( 0.383 -1.803 -1.272) 2.240 1.876 ( -1.230 2.531 6.666) 7.235 1.994 ( -0.810 3.376 -4.663) 5.814 2.234 ( -0.401 -1.347 2.919) 3.240 2.286 ( 0.485 -3.139 -1.990) 3.748 3.412 ( -0.358 -2.664 5.657) 6.263 3.563 ( -3.718 -3.196 -8.400) 9.726 3.958 ( 0.852 3.431 2.672) 4.432 4.166 ( -4.682 1.621 -17.605) 18.289 6.485 ( 5.766 0.354 5.142) 7.734 6.601 ( 4.365 -0.062 -6.278) 7.647 27.135 ( -0.362 -0.147 49.565) 49.566 27.475 ( 0.216 -0.336 8.501) 8.510 27.630 ( -1.220 0.448 -4.267) 4.461 28.205 ( -1.108 0.039 -49.928) 49.941 97.566 ( -0.848 0.004 14.426) 14.451 97.845 ( -0.469 -0.003 -12.336) 12.345 ======================= Grid point 785 (237/258) ======================= q-point: (-0.58 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -1.619 -0.654 2.323) 2.906 1.479 ( -1.241 -1.939 -1.795) 2.919 1.817 ( -2.813 2.153 6.067) 7.025 1.933 ( -2.768 3.260 -5.074) 6.636 2.263 ( 2.018 -2.155 3.869) 4.867 2.332 ( 2.030 -2.184 -2.666) 4.000 3.474 ( 3.674 -3.824 3.631) 6.427 3.546 ( -0.891 -5.422 -3.765) 6.661 3.951 ( 1.212 4.156 -1.030) 4.450 4.084 ( -3.175 0.348 -14.783) 15.124 6.635 ( 10.777 3.192 4.948) 12.281 6.745 ( 11.063 2.155 -5.880) 12.713 27.124 ( -0.954 -0.375 48.423) 48.434 27.426 ( -5.307 -0.226 7.621) 9.290 27.577 ( -3.862 -0.172 -2.751) 4.745 28.211 ( 1.356 -0.551 -49.877) 49.898 97.554 ( -0.470 -0.451 14.520) 14.535 97.838 ( -0.352 -0.261 -12.654) 12.662 ======================= Grid point 786 (238/258) ======================= q-point: (-0.50 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -3.068 -0.845 3.533) 4.755 1.455 ( -2.352 -1.863 -2.380) 3.830 1.741 ( -3.690 1.091 5.601) 6.795 1.849 ( -3.847 1.329 -4.683) 6.204 2.333 ( 3.511 -1.285 3.184) 4.912 2.387 ( 2.365 -0.408 -1.819) 3.012 3.551 ( 0.456 -6.608 5.628) 8.692 3.652 ( 6.749 -5.314 -1.451) 8.711 3.937 ( 0.503 4.126 -2.213) 4.709 4.033 ( -2.591 -1.489 -13.832) 14.151 6.845 ( 14.340 6.170 6.578) 16.940 6.983 ( 15.807 4.904 -6.777) 17.884 27.102 ( -1.761 -0.653 41.778) 41.820 27.290 ( -8.263 0.034 6.112) 10.278 27.490 ( -5.370 -1.065 4.264) 6.939 28.255 ( 2.249 -1.338 -49.951) 50.020 97.556 ( 0.050 -1.066 14.219) 14.259 97.836 ( -0.112 -0.611 -12.720) 12.735 ======================= Grid point 787 (239/258) ======================= q-point: (-0.42 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -2.677 -1.310 5.080) 5.890 1.430 ( -1.557 -2.244 -3.354) 4.326 1.658 ( -4.680 -0.560 5.802) 7.476 1.769 ( -4.508 -1.815 -4.811) 6.838 2.404 ( 3.237 0.832 1.960) 3.875 2.424 ( 2.028 2.075 0.193) 2.908 3.616 ( 0.598 -7.760 11.215) 13.651 3.818 ( 5.953 -2.125 -1.142) 6.424 3.908 ( -0.640 2.912 -1.056) 3.164 4.013 ( -1.686 -6.342 -16.011) 17.304 7.086 ( 15.702 8.223 9.081) 19.916 7.264 ( 17.440 7.524 -8.020) 20.617 27.061 ( -3.192 -0.660 26.349) 26.550 27.123 ( -8.435 0.193 6.060) 10.388 27.397 ( -5.028 -1.860 19.162) 19.898 28.311 ( 2.062 -2.165 -51.004) 51.092 97.573 ( 0.596 -1.712 13.511) 13.632 97.843 ( 0.195 -0.955 -12.513) 12.551 ======================= Grid point 788 (240/258) ======================= q-point: (-0.33 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -0.630 -1.978 6.802) 7.112 1.436 ( 0.387 -2.439 -4.384) 5.032 1.574 ( -5.223 -3.201 6.767) 9.127 1.707 ( -4.646 -5.508 -5.860) 9.288 2.421 ( 1.119 4.846 2.915) 5.765 2.450 ( 2.348 3.229 0.212) 3.998 3.685 ( 0.536 -7.108 13.545) 15.306 3.858 ( -0.870 1.036 -0.228) 1.372 3.886 ( -0.290 0.813 2.243) 2.403 4.091 ( 1.862 -10.718 -18.171) 21.179 7.311 ( 13.703 8.947 11.311) 19.894 7.521 ( 15.059 9.487 -8.791) 19.851 26.956 ( -6.920 0.485 5.355) 8.763 27.004 ( -4.352 -0.152 7.654) 8.806 27.337 ( -2.865 -2.791 38.353) 38.561 28.365 ( 1.546 -2.861 -52.366) 52.467 97.603 ( 0.928 -2.294 12.440) 12.684 97.857 ( 0.411 -1.194 -12.082) 12.148 ======================= Grid point 789 (241/258) ======================= q-point: (-0.25 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 1.771 -1.272 7.483) 7.794 1.472 ( 1.333 -1.424 -3.772) 4.246 1.514 ( -4.425 -6.994 7.656) 11.274 1.682 ( -3.439 -9.731 -7.374) 12.684 2.389 ( 0.391 7.304 4.909) 8.809 2.452 ( 1.111 5.267 -1.057) 5.486 3.735 ( -0.104 -4.707 10.334) 11.356 3.844 ( -0.178 -1.510 5.455) 5.663 3.874 ( -1.129 -2.005 3.207) 3.948 4.196 ( 1.022 -8.833 -18.591) 20.608 7.461 ( 8.077 8.477 12.326) 17.001 7.681 ( 8.727 10.557 -8.756) 16.257 26.841 ( -4.106 0.731 4.300) 5.990 26.926 ( -3.179 0.505 -2.369) 3.996 27.326 ( -0.924 -3.453 49.321) 49.450 28.412 ( 0.884 -3.194 -53.296) 53.399 97.639 ( 0.759 -2.679 11.197) 11.538 97.874 ( 0.354 -1.248 -11.515) 11.587 ======================= Grid point 790 (242/258) ======================= q-point: (-0.17 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -0.000 1.192 6.856) 6.959 1.497 ( 0.000 -0.024 -5.290) 5.290 1.533 ( 0.000 -11.637 11.119) 16.095 1.732 ( 0.000 -11.974 -8.075) 14.442 2.331 ( -0.000 8.888 6.166) 10.818 2.416 ( -0.000 6.816 -2.058) 7.120 3.759 ( 0.000 -3.109 7.779) 8.378 3.871 ( 0.000 -3.150 16.908) 17.199 3.877 ( 0.000 -2.856 -3.508) 4.524 4.264 ( 0.000 -7.339 -19.647) 20.973 7.482 ( -0.000 7.214 11.711) 13.755 7.687 ( -0.000 10.604 -7.932) 13.243 26.795 ( -0.000 0.743 4.068) 4.135 26.888 ( -0.000 0.696 -4.812) 4.862 27.344 ( 0.000 -3.344 51.928) 52.036 28.445 ( 0.000 -2.997 -53.480) 53.564 97.668 ( 0.000 -2.662 10.223) 10.563 97.887 ( 0.000 -1.091 -10.932) 10.987 ======================= Grid point 795 (243/258) ======================= q-point: ( 0.25 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.899 -0.000 0.662) 1.117 1.454 ( 0.008 -0.000 -0.642) 0.642 1.898 ( -1.358 0.000 7.219) 7.346 2.023 ( -0.880 0.000 -4.576) 4.660 2.228 ( -1.236 0.000 1.232) 1.745 2.253 ( 1.292 -0.000 -0.778) 1.508 3.390 ( -0.391 0.000 5.189) 5.204 3.538 ( -4.036 0.000 -8.620) 9.518 3.985 ( 0.651 -0.000 2.415) 2.501 4.179 ( -5.311 0.000 -16.668) 17.494 6.488 ( 6.632 -0.000 4.927) 8.262 6.601 ( 5.060 -0.000 -6.143) 7.958 27.133 ( -0.420 0.000 49.502) 49.504 27.473 ( 0.223 -0.000 8.232) 8.235 27.633 ( -1.380 0.000 -3.988) 4.220 28.205 ( -1.279 0.000 -49.876) 49.892 97.566 ( -0.979 0.000 14.424) 14.457 97.845 ( -0.541 0.000 -12.333) 12.345 ======================= Grid point 796 (244/258) ======================= q-point: (-0.67 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -1.539 0.335 0.906) 1.817 1.450 ( -1.355 -1.596 -0.782) 2.235 1.847 ( -3.061 1.394 6.745) 7.537 1.975 ( -3.275 1.807 -5.607) 6.740 2.235 ( 1.862 -1.169 3.490) 4.125 2.301 ( 2.743 -1.505 -2.564) 4.045 3.433 ( 3.816 -1.385 1.789) 4.437 3.484 ( -2.034 -2.359 -4.054) 5.113 3.996 ( 1.007 1.638 -1.609) 2.508 4.091 ( -3.648 0.345 -11.993) 12.540 6.669 ( 12.016 1.190 4.357) 12.837 6.768 ( 12.120 0.768 -5.363) 13.276 27.120 ( -1.071 -0.161 48.614) 48.626 27.423 ( -5.174 -0.129 7.168) 8.841 27.576 ( -4.256 0.002 -2.474) 4.923 28.205 ( 1.048 -0.196 -49.899) 49.910 97.550 ( -0.707 -0.164 14.594) 14.612 97.835 ( -0.490 -0.097 -12.765) 12.774 ======================= Grid point 797 (245/258) ======================= q-point: (-0.58 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -3.320 -0.321 2.159) 3.973 1.422 ( -2.837 -2.232 -1.537) 3.924 1.767 ( -3.885 1.877 5.847) 7.267 1.879 ( -4.875 2.080 -4.833) 7.173 2.308 ( 4.180 -1.629 3.153) 5.484 2.372 ( 3.274 -1.336 -2.631) 4.408 3.474 ( -0.123 -3.476 2.941) 4.555 3.568 ( 6.104 -4.798 -3.592) 8.555 3.991 ( -0.093 2.812 -2.676) 3.883 4.030 ( -2.438 0.300 -8.277) 8.634 6.920 ( 15.326 3.515 5.816) 16.765 7.041 ( 16.946 2.690 -5.979) 18.170 27.093 ( -1.890 -0.440 42.724) 42.768 27.290 ( -8.155 -0.059 5.613) 9.900 27.479 ( -5.720 -0.480 3.871) 6.924 28.239 ( 1.857 -0.765 -50.048) 50.089 97.543 ( -0.244 -0.606 14.432) 14.447 97.829 ( -0.289 -0.359 -13.013) 13.021 ======================= Grid point 798 (246/258) ======================= q-point: (-0.50 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -3.386 -1.260 3.575) 5.083 1.386 ( -2.654 -3.232 -2.633) 4.942 1.669 ( -4.882 1.604 5.051) 7.206 1.764 ( -5.761 0.662 -3.932) 7.006 2.403 ( 4.364 -0.581 2.144) 4.897 2.440 ( 3.081 0.122 -1.105) 3.275 3.517 ( 1.036 -5.210 8.295) 9.850 3.732 ( 5.488 -7.094 -8.644) 12.457 3.950 ( -1.545 2.580 -1.098) 3.201 3.986 ( -1.978 0.652 -5.295) 5.690 7.194 ( 16.175 5.851 8.626) 19.243 7.360 ( 18.376 5.091 -7.361) 20.440 27.052 ( -2.896 -0.578 29.154) 29.303 27.125 ( -8.476 0.055 5.097) 9.891 27.374 ( -5.441 -1.182 17.357) 18.228 28.282 ( 1.612 -1.585 -51.164) 51.214 97.550 ( 0.281 -1.215 13.927) 13.983 97.830 ( 0.011 -0.720 -13.008) 13.028 ======================= Grid point 799 (247/258) ======================= q-point: (-0.42 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.899 -2.720 5.383) 6.323 1.380 ( -0.825 -4.679 -4.002) 6.212 1.559 ( -5.356 0.700 5.002) 7.362 1.655 ( -5.761 -1.705 -4.113) 7.281 2.471 ( 2.590 1.788 1.696) 3.575 2.487 ( 2.812 1.842 0.546) 3.406 3.586 ( 1.728 -5.690 11.279) 12.751 3.835 ( -1.025 -4.906 -8.140) 9.560 3.904 ( -2.085 1.579 2.355) 3.519 3.976 ( 1.965 -3.554 -8.031) 8.999 7.438 ( 13.768 7.592 11.569) 19.520 7.649 ( 15.655 7.355 -8.656) 19.342 26.964 ( -6.605 0.490 5.464) 8.586 27.000 ( -3.925 -0.371 9.766) 10.532 27.298 ( -3.524 -2.244 36.157) 36.397 28.324 ( 1.125 -2.491 -52.627) 52.698 97.571 ( 0.624 -1.881 13.139) 13.287 97.840 ( 0.254 -1.090 -12.776) 12.825 ======================= Grid point 800 (248/258) ======================= q-point: (-0.33 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.554 -4.925 7.458) 8.955 1.426 ( 1.370 -5.140 -4.221) 6.791 1.462 ( -4.147 -0.582 4.682) 6.281 1.572 ( -5.030 -4.343 -5.191) 8.432 2.478 ( 0.963 4.537 3.220) 5.646 2.514 ( 1.609 3.149 0.038) 3.536 3.660 ( 1.546 -4.843 10.586) 11.743 3.820 ( -1.754 -2.352 -2.063) 3.587 3.849 ( -2.683 -0.875 5.677) 6.340 4.073 ( 2.224 -7.119 -13.851) 15.731 7.593 ( 7.992 8.559 13.502) 17.873 7.831 ( 9.015 9.140 -9.392) 15.906 26.853 ( -3.964 0.740 4.169) 5.800 26.933 ( -2.736 0.443 -1.670) 3.236 27.273 ( -1.374 -3.392 48.795) 48.932 28.363 ( 0.628 -3.221 -53.671) 53.771 97.600 ( 0.549 -2.476 12.224) 12.484 97.854 ( 0.266 -1.356 -12.399) 12.475 ======================= Grid point 801 (249/258) ======================= q-point: (-0.25 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.000 -9.306 9.726) 13.461 1.392 ( -0.000 1.577 5.753) 5.965 1.496 ( 0.000 -0.171 -4.233) 4.236 1.556 ( 0.000 -11.183 -7.852) 13.665 2.446 ( -0.000 6.300 4.457) 7.717 2.501 ( -0.000 4.461 -0.633) 4.505 3.707 ( 0.000 -3.653 7.931) 8.732 3.829 ( 0.000 -2.279 13.451) 13.643 3.829 ( 0.000 -3.352 -3.766) 5.042 4.149 ( 0.000 -7.528 -16.226) 17.887 7.606 ( -0.000 8.803 13.735) 16.314 7.847 ( -0.000 10.291 -9.388) 13.930 26.807 ( -0.000 0.858 4.004) 4.095 26.899 ( -0.000 0.803 -4.800) 4.867 27.289 ( 0.000 -3.851 52.042) 52.184 28.395 ( 0.000 -3.492 -53.898) 54.011 97.626 ( 0.000 -2.804 11.463) 11.802 97.868 ( 0.000 -1.413 -11.949) 12.032 ======================= Grid point 808 (250/258) ======================= q-point: (-0.67 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -3.524 0.000 0.965) 3.654 1.400 ( -2.879 0.000 -0.527) 2.927 1.784 ( -4.033 0.000 5.964) 7.200 1.897 ( -5.348 0.000 -4.854) 7.222 2.295 ( 4.546 -0.000 2.948) 5.418 2.359 ( 3.649 -0.000 -2.935) 4.683 3.448 ( -0.442 0.000 1.736) 1.791 3.529 ( 5.999 -0.000 -3.589) 6.991 4.015 ( 0.087 -0.000 -2.946) 2.947 4.031 ( -2.729 0.000 -6.638) 7.177 6.947 ( 15.666 -0.000 5.519) 16.610 7.061 ( 17.340 -0.000 -5.659) 18.240 27.090 ( -1.938 0.000 43.063) 43.106 27.289 ( -8.102 0.000 5.394) 9.733 27.475 ( -5.859 0.000 3.765) 6.965 28.233 ( 1.712 -0.000 -50.077) 50.106 97.538 ( -0.350 0.000 14.506) 14.510 97.826 ( -0.354 0.000 -13.117) 13.122 ======================= Grid point 810 (251/258) ======================= q-point: (-0.58 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -3.702 -0.084 1.766) 4.102 1.345 ( -3.321 -1.823 -1.351) 4.022 1.692 ( -5.060 0.983 4.682) 6.963 1.776 ( -6.693 0.582 -3.258) 7.467 2.395 ( 5.218 -0.348 1.766) 5.520 2.434 ( 3.759 -0.440 -1.924) 4.246 3.464 ( 1.273 -1.783 6.561) 6.917 3.652 ( 5.165 -2.880 -9.070) 10.828 3.979 ( -2.045 1.132 -1.713) 2.898 3.996 ( -1.976 0.379 -2.132) 2.932 7.255 ( 16.447 2.113 8.283) 18.536 7.412 ( 18.860 1.786 -6.868) 20.151 27.045 ( -2.739 -0.238 30.878) 31.000 27.125 ( -8.476 0.004 4.479) 9.587 27.362 ( -5.686 -0.391 16.259) 17.229 28.266 ( 1.348 -0.580 -51.244) 51.265 97.538 ( 0.110 -0.438 14.143) 14.150 97.822 ( -0.100 -0.268 -13.271) 13.274 ======================= Grid point 811 (252/258) ======================= q-point: (-0.50 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 794 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -2.653 -1.083 2.949) 4.112 1.311 ( -2.105 -3.974 -2.686) 5.238 1.579 ( -5.429 1.437 3.665) 6.706 1.643 ( -6.595 -0.284 -2.390) 7.020 2.486 ( 3.916 0.576 1.187) 4.132 2.503 ( 3.171 0.321 -0.250) 3.197 3.520 ( 2.502 -3.028 9.351) 10.143 3.752 ( 1.546 -4.665 -11.274) 12.298 3.927 ( -3.248 1.314 1.604) 3.853 3.956 ( -0.576 -0.353 -1.844) 1.964 7.529 ( 13.869 4.314 11.470) 18.507 7.735 ( 16.006 3.958 -8.225) 18.425 26.970 ( -6.526 0.414 5.157) 8.328 26.993 ( -3.415 -0.441 12.270) 12.743 27.272 ( -4.052 -1.198 33.959) 34.221 28.294 ( 0.810 -1.444 -52.801) 52.827 97.549 ( 0.429 -1.048 13.567) 13.614 97.826 ( 0.128 -0.648 -13.212) 13.228 ======================= Grid point 812 (253/258) ======================= q-point: (-0.42 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -0.986 -3.168 4.916) 5.931 1.330 ( 0.062 -6.526 -4.510) 7.933 1.473 ( -3.991 1.433 3.607) 5.568 1.537 ( -4.645 -1.168 -2.547) 5.424 2.528 ( 1.605 2.253 1.868) 3.338 2.549 ( 2.014 1.518 0.284) 2.538 3.597 ( 2.714 -3.348 9.608) 10.530 3.775 ( -1.357 -3.111 -5.849) 6.763 3.847 ( -3.762 0.292 5.379) 6.570 3.990 ( 1.609 -3.942 -8.558) 9.558 7.706 ( 7.988 6.204 13.834) 17.137 7.947 ( 9.186 6.054 -9.215) 14.351 26.863 ( -3.861 0.553 4.023) 5.604 26.939 ( -2.255 0.258 -0.663) 2.365 27.228 ( -1.840 -2.424 47.941) 48.037 28.320 ( 0.402 -2.374 -53.973) 54.027 97.568 ( 0.399 -1.708 12.925) 13.043 97.836 ( 0.176 -1.041 -13.007) 13.050 ======================= Grid point 813 (254/258) ======================= q-point: (-0.33 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 433 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 -5.849 7.065) 9.172 1.401 ( 0.000 -9.326 -6.566) 11.406 1.417 ( -0.000 1.726 4.302) 4.636 1.491 ( 0.000 -0.453 -2.821) 2.857 2.520 ( -0.000 3.673 2.857) 4.654 2.553 ( -0.000 2.587 0.068) 2.588 3.654 ( 0.000 -3.221 8.088) 8.705 3.781 ( 0.000 -2.952 -4.034) 4.999 3.805 ( 0.000 -0.892 9.796) 9.836 4.047 ( 0.000 -5.934 -12.356) 13.707 7.733 ( -0.000 7.635 14.565) 16.445 7.985 ( -0.000 7.852 -9.619) 12.417 26.819 ( -0.000 0.743 3.940) 4.009 26.911 ( -0.000 0.695 -4.788) 4.838 27.233 ( 0.000 -3.328 52.121) 52.227 28.344 ( 0.000 -3.050 -54.287) 54.373 97.587 ( 0.000 -2.248 12.414) 12.616 97.847 ( 0.000 -1.311 -12.726) 12.793 ======================= Grid point 822 (255/258) ======================= q-point: (-0.58 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -2.615 0.000 1.103) 2.838 1.275 ( -2.835 0.000 -1.288) 3.114 1.591 ( -5.410 0.000 3.037) 6.204 1.641 ( -7.081 0.000 -1.556) 7.250 2.491 ( 4.509 -0.000 0.797) 4.579 2.503 ( 3.306 -0.000 -0.532) 3.348 3.497 ( 2.758 -0.000 8.672) 9.100 3.715 ( 2.318 -0.000 -11.031) 11.272 3.939 ( -4.005 0.000 1.015) 4.132 3.952 ( -0.970 0.000 -0.578) 1.129 7.562 ( 13.912 -0.000 11.384) 17.976 7.765 ( 16.120 -0.000 -8.010) 18.001 26.974 ( -6.857 0.000 4.002) 7.939 26.989 ( -2.861 0.000 14.367) 14.649 27.263 ( -4.252 0.000 33.012) 33.285 28.283 ( 0.694 -0.000 -52.862) 52.866 97.541 ( 0.363 -0.000 13.708) 13.713 97.821 ( 0.080 -0.000 -13.358) 13.358 ======================= Grid point 824 (256/258) ======================= q-point: (-0.50 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 792 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -1.266 0.206 1.523) 1.991 1.249 ( -1.144 -3.820 -2.249) 4.578 1.494 ( -3.845 1.150 2.046) 4.505 1.523 ( -4.757 -0.757 -0.672) 4.864 2.551 ( 1.992 0.933 0.914) 2.382 2.561 ( 2.376 0.146 0.299) 2.400 3.563 ( 3.256 -1.184 8.961) 9.607 3.739 ( -0.195 -1.347 -6.901) 7.034 3.852 ( -4.306 0.276 4.131) 5.974 3.951 ( 0.382 -1.252 -5.308) 5.467 7.771 ( 8.001 2.253 13.828) 16.134 8.009 ( 9.263 2.104 -8.899) 13.017 26.868 ( -3.818 0.207 3.910) 5.469 26.941 ( -1.914 0.073 0.220) 1.928 27.203 ( -2.156 -0.869 47.164) 47.222 28.295 ( 0.270 -0.872 -54.139) 54.146 97.550 ( 0.324 -0.606 13.263) 13.281 97.825 ( 0.121 -0.389 -13.305) 13.311 ======================= Grid point 825 (257/258) ======================= q-point: (-0.42 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 -1.686 3.409) 3.803 1.281 ( 0.000 -6.463 -4.150) 7.681 1.443 ( -0.000 1.600 2.602) 3.055 1.482 ( 0.000 -0.839 -1.145) 1.420 2.560 ( -0.000 1.792 1.679) 2.455 2.580 ( -0.000 1.014 0.198) 1.033 3.615 ( 0.000 -1.885 8.205) 8.418 3.745 ( 0.000 -1.726 -4.236) 4.574 3.799 ( -0.000 0.003 6.834) 6.834 3.976 ( 0.000 -3.346 -9.025) 9.625 7.825 ( -0.000 4.373 14.732) 15.368 8.077 ( -0.000 4.189 -9.323) 10.221 26.828 ( -0.000 0.429 3.893) 3.917 26.919 ( -0.000 0.401 -4.779) 4.795 27.193 ( 0.000 -1.919 52.158) 52.194 28.307 ( 0.000 -1.771 -54.556) 54.585 97.561 ( 0.000 -1.234 12.967) 13.026 97.831 ( 0.000 -0.784 -13.180) 13.203 ======================= Grid point 837 (258/258) ======================= q-point: ( 0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.000 0.000 -0.056) 0.056 1.217 ( 0.000 -0.000 -1.204) 1.204 1.461 ( -0.000 0.000 1.048) 1.048 1.469 ( 0.000 -0.000 0.402) 0.402 2.574 ( -0.000 0.000 1.123) 1.123 2.586 ( -0.000 0.000 0.285) 0.285 3.600 ( -0.000 0.000 8.248) 8.248 3.731 ( -0.000 0.000 -4.312) 4.312 3.800 ( -0.000 0.000 5.595) 5.595 3.950 ( -0.000 0.000 -7.599) 7.599 7.859 ( -0.000 0.000 14.723) 14.723 8.108 ( -0.000 0.000 -9.138) 9.138 26.832 ( -0.000 0.000 3.876) 3.876 26.922 ( -0.000 0.000 -4.775) 4.775 27.178 ( -0.000 0.000 52.168) 52.168 28.294 ( -0.000 0.000 -54.651) 54.651 97.551 ( -0.000 0.000 13.144) 13.144 97.825 ( -0.000 0.000 -13.326) 13.326 =================== 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 3/28512 10.0 35.263 35.949 28.907 0.000 0.000 -0.000 3/28512 20.0 10.693 12.291 11.384 0.000 0.000 -0.000 3/28512 30.0 5.846 6.858 6.591 0.000 0.000 -0.000 3/28512 40.0 3.911 4.541 4.503 0.000 0.000 -0.000 3/28512 50.0 2.932 3.347 3.441 0.000 0.000 -0.000 3/28512 60.0 2.356 2.645 2.816 0.000 0.000 -0.000 3/28512 70.0 1.980 2.191 2.405 0.000 0.000 -0.000 3/28512 80.0 1.715 1.875 2.111 0.000 0.000 -0.000 3/28512 90.0 1.517 1.642 1.887 0.000 0.000 -0.000 3/28512 100.0 1.363 1.463 1.710 0.000 0.000 -0.000 3/28512 110.0 1.240 1.322 1.565 0.000 0.000 -0.000 3/28512 120.0 1.138 1.206 1.445 0.000 0.000 -0.000 3/28512 130.0 1.052 1.109 1.343 0.000 0.000 -0.000 3/28512 140.0 0.978 1.028 1.255 0.000 0.000 -0.000 3/28512 150.0 0.915 0.957 1.179 0.000 0.000 -0.000 3/28512 160.0 0.859 0.896 1.113 0.000 0.000 -0.000 3/28512 170.0 0.810 0.843 1.054 0.000 0.000 -0.000 3/28512 180.0 0.766 0.795 1.003 0.000 0.000 -0.000 3/28512 190.0 0.727 0.753 0.957 0.000 0.000 -0.000 3/28512 200.0 0.692 0.715 0.917 0.000 0.000 -0.000 3/28512 210.0 0.660 0.681 0.880 0.000 0.000 -0.000 3/28512 220.0 0.630 0.649 0.847 0.000 0.000 -0.000 3/28512 230.0 0.604 0.621 0.818 0.000 0.000 -0.000 3/28512 240.0 0.579 0.595 0.790 0.000 0.000 -0.000 3/28512 250.0 0.556 0.571 0.766 0.000 0.000 -0.000 3/28512 260.0 0.536 0.549 0.743 0.000 0.000 -0.000 3/28512 270.0 0.516 0.528 0.722 0.000 0.000 -0.000 3/28512 280.0 0.498 0.509 0.702 0.000 0.000 -0.000 3/28512 290.0 0.481 0.491 0.684 0.000 0.000 -0.000 3/28512 300.0 0.466 0.475 0.667 0.000 0.000 -0.000 3/28512 310.0 0.451 0.459 0.651 0.000 0.000 -0.000 3/28512 320.0 0.437 0.445 0.636 0.000 0.000 -0.000 3/28512 330.0 0.424 0.431 0.622 0.000 0.000 -0.000 3/28512 340.0 0.412 0.418 0.608 0.000 0.000 -0.000 3/28512 350.0 0.400 0.406 0.595 0.000 0.000 -0.000 3/28512 360.0 0.390 0.395 0.583 0.000 0.000 -0.000 3/28512 370.0 0.379 0.384 0.572 0.000 0.000 -0.000 3/28512 380.0 0.369 0.374 0.561 0.000 0.000 -0.000 3/28512 390.0 0.360 0.364 0.550 0.000 0.000 -0.000 3/28512 400.0 0.351 0.355 0.540 0.000 0.000 -0.000 3/28512 410.0 0.343 0.346 0.530 0.000 0.000 -0.000 3/28512 420.0 0.335 0.338 0.520 0.000 0.000 -0.000 3/28512 430.0 0.327 0.330 0.511 0.000 0.000 -0.000 3/28512 440.0 0.320 0.323 0.503 0.000 0.000 -0.000 3/28512 450.0 0.313 0.315 0.494 0.000 0.000 -0.000 3/28512 460.0 0.306 0.308 0.486 0.000 0.000 -0.000 3/28512 470.0 0.300 0.302 0.478 0.000 0.000 -0.000 3/28512 480.0 0.294 0.295 0.470 0.000 0.000 -0.000 3/28512 490.0 0.288 0.289 0.463 0.000 0.000 -0.000 3/28512 500.0 0.282 0.284 0.456 0.000 0.000 -0.000 3/28512 510.0 0.277 0.278 0.449 0.000 0.000 -0.000 3/28512 520.0 0.271 0.273 0.442 0.000 0.000 -0.000 3/28512 530.0 0.266 0.267 0.435 0.000 0.000 -0.000 3/28512 540.0 0.262 0.262 0.429 0.000 0.000 -0.000 3/28512 550.0 0.257 0.258 0.423 0.000 0.000 -0.000 3/28512 560.0 0.252 0.253 0.417 0.000 0.000 -0.000 3/28512 570.0 0.248 0.248 0.411 0.000 0.000 -0.000 3/28512 580.0 0.244 0.244 0.405 0.000 0.000 -0.000 3/28512 590.0 0.240 0.240 0.400 0.000 0.000 -0.000 3/28512 600.0 0.236 0.236 0.394 0.000 0.000 -0.000 3/28512 610.0 0.232 0.232 0.389 0.000 0.000 -0.000 3/28512 620.0 0.228 0.228 0.384 0.000 0.000 -0.000 3/28512 630.0 0.225 0.225 0.379 0.000 0.000 -0.000 3/28512 640.0 0.221 0.221 0.374 0.000 0.000 -0.000 3/28512 650.0 0.218 0.218 0.369 0.000 0.000 -0.000 3/28512 660.0 0.214 0.214 0.364 0.000 0.000 -0.000 3/28512 670.0 0.211 0.211 0.360 0.000 0.000 -0.000 3/28512 680.0 0.208 0.208 0.355 0.000 0.000 -0.000 3/28512 690.0 0.205 0.205 0.351 0.000 0.000 -0.000 3/28512 700.0 0.202 0.202 0.347 0.000 0.000 -0.000 3/28512 710.0 0.200 0.199 0.343 0.000 0.000 -0.000 3/28512 720.0 0.197 0.196 0.339 0.000 0.000 -0.000 3/28512 730.0 0.194 0.194 0.335 0.000 0.000 -0.000 3/28512 740.0 0.192 0.191 0.331 0.000 0.000 -0.000 3/28512 750.0 0.189 0.189 0.327 0.000 0.000 -0.000 3/28512 760.0 0.187 0.186 0.323 0.000 0.000 -0.000 3/28512 770.0 0.184 0.184 0.320 0.000 0.000 -0.000 3/28512 780.0 0.182 0.181 0.316 0.000 0.000 -0.000 3/28512 790.0 0.180 0.179 0.313 0.000 0.000 -0.000 3/28512 800.0 0.177 0.177 0.309 0.000 0.000 -0.000 3/28512 810.0 0.175 0.175 0.306 0.000 0.000 -0.000 3/28512 820.0 0.173 0.172 0.303 0.000 0.000 -0.000 3/28512 830.0 0.171 0.170 0.299 0.000 0.000 -0.000 3/28512 840.0 0.169 0.168 0.296 0.000 0.000 -0.000 3/28512 850.0 0.167 0.166 0.293 0.000 0.000 -0.000 3/28512 860.0 0.165 0.164 0.290 0.000 0.000 -0.000 3/28512 870.0 0.163 0.162 0.287 0.000 0.000 -0.000 3/28512 880.0 0.161 0.161 0.284 0.000 0.000 -0.000 3/28512 890.0 0.160 0.159 0.282 0.000 0.000 -0.000 3/28512 900.0 0.158 0.157 0.279 0.000 0.000 -0.000 3/28512 910.0 0.156 0.155 0.276 0.000 0.000 -0.000 3/28512 920.0 0.154 0.154 0.273 0.000 0.000 -0.000 3/28512 930.0 0.153 0.152 0.271 0.000 0.000 -0.000 3/28512 940.0 0.151 0.150 0.268 0.000 0.000 -0.000 3/28512 950.0 0.150 0.149 0.266 0.000 0.000 -0.000 3/28512 960.0 0.148 0.147 0.263 0.000 0.000 -0.000 3/28512 970.0 0.146 0.146 0.261 0.000 0.000 -0.000 3/28512 980.0 0.145 0.144 0.258 0.000 0.000 -0.000 3/28512 990.0 0.144 0.143 0.256 0.000 0.000 -0.000 3/28512 1000.0 0.142 0.141 0.254 0.000 0.000 -0.000 3/28512 Thermal conductivity related properties were written into "kappa-m121211.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:28:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|