----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:38:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.948317593547861 1.124861687101739 6.580738469999993 b -1.948317593547856 1.124861687101739 6.580738469999993 c 0.000000000000002 -2.249723374203480 6.580738469999993 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *2 S 0.74192627284295 0.74192627284295 0.74192627284295 32.065 3 S 0.25807372715705 0.25807372715705 0.25807372715705 32.065 *4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.896635187095717 0.000000000000000 0.000000000000000 b -1.948317593547858 3.374585061305219 0.000000000000000 c 0.000000000000000 0.000000000000000 19.742215410000000 Atomic positions (fractional): *1 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 1 2 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 1 *4 S 0.66666666666667 0.33333333333333 0.07525960617628 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.25807372715705 32.065 > 3 6 S 0.33333333333333 0.66666666666667 0.40859293950962 32.065 > 2 7 S 0.66666666666667 0.33333333333333 0.59140706049038 32.065 > 3 8 S 0.00000000000000 0.00000000000000 0.74192627284295 32.065 > 2 9 S 0.33333333333333 0.66666666666667 0.92474039382372 32.065 > 3 *10 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 4 11 Er 0.66666666666667 0.33333333333333 0.33333333333333 167.259 > 4 12 Er 0.33333333333333 0.66666666666667 0.66666666666667 167.259 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.689905561287151 0.000000000000000 0.000000000000000 b -5.844952780643574 10.123755183915657 0.000000000000000 c 0.000000000000000 0.000000000000000 19.742215410000000 Atomic positions (fractional): *1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 *28 S 0.22222222222222 0.11111111111111 0.07525960617628 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.07525960617628 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.07525960617628 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.07525960617628 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.07525960617628 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.07525960617628 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.07525960617628 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.07525960617628 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.07525960617628 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.25807372715705 32.065 > 3 38 S 0.33333333333333 0.00000000000000 0.25807372715705 32.065 > 3 39 S 0.66666666666667 0.00000000000000 0.25807372715705 32.065 > 3 40 S 0.00000000000000 0.33333333333333 0.25807372715705 32.065 > 3 41 S 0.33333333333333 0.33333333333333 0.25807372715705 32.065 > 3 42 S 0.66666666666667 0.33333333333333 0.25807372715705 32.065 > 3 43 S 0.00000000000000 0.66666666666667 0.25807372715705 32.065 > 3 44 S 0.33333333333333 0.66666666666667 0.25807372715705 32.065 > 3 45 S 0.66666666666667 0.66666666666667 0.25807372715705 32.065 > 3 46 S 0.11111111111111 0.22222222222222 0.40859293950962 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.40859293950962 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.40859293950962 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.40859293950962 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.40859293950962 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.40859293950962 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.40859293950962 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.40859293950962 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.40859293950962 32.065 > 2 55 S 0.22222222222222 0.11111111111111 0.59140706049038 32.065 > 3 56 S 0.55555555555556 0.11111111111111 0.59140706049038 32.065 > 3 57 S 0.88888888888889 0.11111111111111 0.59140706049038 32.065 > 3 58 S 0.22222222222222 0.44444444444444 0.59140706049038 32.065 > 3 59 S 0.55555555555556 0.44444444444444 0.59140706049038 32.065 > 3 60 S 0.88888888888889 0.44444444444444 0.59140706049038 32.065 > 3 61 S 0.22222222222222 0.77777777777778 0.59140706049038 32.065 > 3 62 S 0.55555555555556 0.77777777777778 0.59140706049038 32.065 > 3 63 S 0.88888888888889 0.77777777777778 0.59140706049038 32.065 > 3 64 S 0.00000000000000 0.00000000000000 0.74192627284295 32.065 > 2 65 S 0.33333333333333 0.00000000000000 0.74192627284295 32.065 > 2 66 S 0.66666666666667 0.00000000000000 0.74192627284295 32.065 > 2 67 S 0.00000000000000 0.33333333333333 0.74192627284295 32.065 > 2 68 S 0.33333333333333 0.33333333333333 0.74192627284295 32.065 > 2 69 S 0.66666666666667 0.33333333333333 0.74192627284295 32.065 > 2 70 S 0.00000000000000 0.66666666666667 0.74192627284295 32.065 > 2 71 S 0.33333333333333 0.66666666666667 0.74192627284295 32.065 > 2 72 S 0.66666666666667 0.66666666666667 0.74192627284295 32.065 > 2 73 S 0.11111111111111 0.22222222222222 0.92474039382372 32.065 > 3 74 S 0.44444444444444 0.22222222222222 0.92474039382372 32.065 > 3 75 S 0.77777777777778 0.22222222222222 0.92474039382372 32.065 > 3 76 S 0.11111111111111 0.55555555555556 0.92474039382372 32.065 > 3 77 S 0.44444444444444 0.55555555555556 0.92474039382372 32.065 > 3 78 S 0.77777777777778 0.55555555555556 0.92474039382372 32.065 > 3 79 S 0.11111111111111 0.88888888888889 0.92474039382372 32.065 > 3 80 S 0.44444444444444 0.88888888888889 0.92474039382372 32.065 > 3 81 S 0.77777777777778 0.88888888888889 0.92474039382372 32.065 > 3 *82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 4 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 4 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 4 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 4 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 4 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 4 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 4 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 4 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 4 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 4 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 4 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 4 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 4 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 4 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 4 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 4 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 4 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 4 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 4 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 4 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 4 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 4 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 4 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 4 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 4 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 4 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1192971 0.0000000 0.0000000 0.0000000 6.1192971 0.0000000 0.0000000 0.0000000 4.4308178 -------------------------- Born effective charges -------------------------- 1 Na 1.0793618 -0.0000000 0.0000000 0.0000000 1.0793618 0.0000000 0.0000000 0.0000000 1.6392800 2 S -2.7320197 -0.0000000 0.0000000 0.0000000 -2.7320197 0.0000000 0.0000000 0.0000000 -1.7916326 3 S -2.7320197 -0.0000000 0.0000000 0.0000000 -2.7320197 0.0000000 0.0000000 0.0000000 -1.7916326 4 Er 4.3846777 0.0000000 0.0000000 0.0000000 4.3846777 0.0000000 0.0000000 0.0000000 1.9439852 ---------------------------------------------------------------------------- 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: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 80 / 80 - Time: 0.228 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.265 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:38:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:38:24]------------------------- 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 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.948317593547861 1.124861687101739 6.580738469999993 b -1.948317593547856 1.124861687101739 6.580738469999993 c 0.000000000000002 -2.249723374203480 6.580738469999993 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.74192627284295 0.74192627284295 0.74192627284295 32.065 3 S 0.25807372715705 0.25807372715705 0.25807372715705 32.065 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.689905561287151 0.000000000000000 0.000000000000000 b -5.844952780643574 10.123755183915657 0.000000000000000 c 0.000000000000000 0.000000000000000 19.742215410000000 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 S 0.22222222222222 0.11111111111111 0.07525960617628 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.07525960617628 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.07525960617628 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.07525960617628 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.07525960617628 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.07525960617628 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.07525960617628 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.07525960617628 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.07525960617628 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.25807372715705 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.25807372715705 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.25807372715705 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.25807372715705 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.25807372715705 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.25807372715705 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.25807372715705 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.25807372715705 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.25807372715705 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.40859293950962 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.40859293950962 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.40859293950962 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.40859293950962 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.40859293950962 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.40859293950962 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.40859293950962 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.40859293950962 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.40859293950962 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.59140706049038 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.59140706049038 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.59140706049038 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.59140706049038 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.59140706049038 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.59140706049038 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.59140706049038 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.59140706049038 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.59140706049038 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.74192627284295 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.74192627284295 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.74192627284295 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.74192627284295 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.74192627284295 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.74192627284295 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.74192627284295 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.74192627284295 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.74192627284295 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.92474039382372 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.92474039382372 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.92474039382372 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.92474039382372 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.92474039382372 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.92474039382372 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.92474039382372 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.92474039382372 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.92474039382372 32.065 > 37 82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 82 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 82 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 82 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 82 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 82 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 82 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 82 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 82 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 82 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 82 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 82 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 82 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 82 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 82 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 82 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 82 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 82 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 82 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 82 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 82 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 82 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 82 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 82 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 82 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 82 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 82 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1192971 0.0000000 0.0000000 0.0000000 6.1192971 0.0000000 0.0000000 0.0000000 4.4308178 -------------------------- Born effective charges -------------------------- 1 Na 1.0793618 -0.0000000 0.0000000 0.0000000 1.0793618 0.0000000 0.0000000 0.0000000 1.6392800 2 S -2.7320197 -0.0000000 0.0000000 0.0000000 -2.7320197 0.0000000 0.0000000 0.0000000 -1.7916326 3 S -2.7320197 -0.0000000 0.0000000 0.0000000 -2.7320197 0.0000000 0.0000000 0.0000000 -1.7916326 4 Er 4.3846777 0.0000000 0.0000000 0.0000000 4.3846777 0.0000000 0.0000000 0.0000000 1.9439852 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:38:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:38:29]------------------------- 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 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.948317593547861 1.124861687101739 6.580738469999993 b -1.948317593547856 1.124861687101739 6.580738469999993 c 0.000000000000002 -2.249723374203480 6.580738469999993 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.74192627284295 0.74192627284295 0.74192627284295 32.065 3 S 0.25807372715705 0.25807372715705 0.25807372715705 32.065 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.689905561287151 0.000000000000000 0.000000000000000 b -5.844952780643574 10.123755183915657 0.000000000000000 c 0.000000000000000 0.000000000000000 19.742215410000000 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 S 0.22222222222222 0.11111111111111 0.07525960617628 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.07525960617628 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.07525960617628 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.07525960617628 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.07525960617628 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.07525960617628 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.07525960617628 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.07525960617628 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.07525960617628 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.25807372715705 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.25807372715705 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.25807372715705 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.25807372715705 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.25807372715705 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.25807372715705 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.25807372715705 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.25807372715705 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.25807372715705 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.40859293950962 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.40859293950962 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.40859293950962 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.40859293950962 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.40859293950962 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.40859293950962 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.40859293950962 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.40859293950962 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.40859293950962 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.59140706049038 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.59140706049038 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.59140706049038 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.59140706049038 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.59140706049038 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.59140706049038 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.59140706049038 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.59140706049038 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.59140706049038 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.74192627284295 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.74192627284295 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.74192627284295 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.74192627284295 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.74192627284295 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.74192627284295 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.74192627284295 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.74192627284295 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.74192627284295 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.92474039382372 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.92474039382372 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.92474039382372 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.92474039382372 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.92474039382372 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.92474039382372 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.92474039382372 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.92474039382372 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.92474039382372 32.065 > 37 82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 82 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 82 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 82 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 82 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 82 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 82 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 82 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 82 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 82 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 82 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 82 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 82 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 82 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 82 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 82 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 82 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 82 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 82 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 82 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 82 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 82 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 82 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 82 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 82 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 82 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 82 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1192971 0.0000000 0.0000000 0.0000000 6.1192971 0.0000000 0.0000000 0.0000000 4.4308178 -------------------------- Born effective charges -------------------------- 1 Na 1.0793618 -0.0000000 0.0000000 0.0000000 1.0793618 0.0000000 0.0000000 0.0000000 1.6392800 2 S -2.7320197 -0.0000000 0.0000000 0.0000000 -2.7320197 0.0000000 0.0000000 0.0000000 -1.7916326 3 S -2.7320197 -0.0000000 0.0000000 0.0000000 -2.7320197 0.0000000 0.0000000 0.0000000 -1.7916326 4 Er 4.3846777 0.0000000 0.0000000 0.0000000 4.3846777 0.0000000 0.0000000 0.0000000 1.9439852 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] 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: 0.94, Number of G-points: 313, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 7.291 ( 0.000 0.000 0.000) 0.000 8.356 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 21.320 12.309 0.851) 24.633 0.497 ( 21.716 12.538 0.080) 25.076 0.955 ( 39.884 23.027 7.240) 46.619 3.639 ( 0.716 0.413 0.072) 0.830 3.713 ( 4.446 2.567 -1.154) 5.262 5.572 ( -2.744 -1.584 1.811) 3.650 5.723 ( 2.280 1.316 1.832) 3.207 6.644 ( -0.872 -0.503 -0.887) 1.341 6.680 ( 1.546 0.893 0.204) 1.797 7.253 ( 0.344 0.199 -11.346) 11.353 8.317 ( -3.510 -2.027 1.115) 4.204 9.182 ( -2.223 -1.283 -2.927) 3.893 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 20.955 12.098 0.347) 24.199 0.986 ( 21.149 12.211 -1.314) 24.457 1.845 ( 35.908 20.732 3.679) 41.626 3.663 ( 1.416 0.818 0.166) 1.644 3.857 ( 8.468 4.889 -0.413) 9.787 5.491 ( -4.924 -2.843 2.816) 6.345 5.805 ( 3.987 2.302 3.474) 5.768 6.618 ( -0.861 -0.497 -1.910) 2.153 6.690 ( -1.653 -0.955 0.966) 2.140 7.252 ( 2.963 1.711 -5.978) 6.888 8.210 ( -6.181 -3.569 1.762) 7.352 9.086 ( -5.022 -2.899 -5.315) 7.866 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 19.469 11.240 -0.409) 22.485 1.441 ( 19.032 10.988 -3.099) 22.194 2.587 ( 28.298 16.338 -1.653) 32.718 3.704 ( 2.041 1.179 0.295) 2.375 4.100 ( 12.534 7.237 2.383) 14.668 5.370 ( -6.599 -3.810 4.183) 8.693 5.919 ( 4.545 2.624 4.748) 7.077 6.603 ( 0.594 0.343 -3.019) 3.096 6.612 ( -4.742 -2.738 1.467) 5.668 7.347 ( 5.563 3.212 -1.718) 6.649 8.056 ( -7.696 -4.443 2.026) 9.115 8.921 ( -6.913 -3.991 -9.275) 12.237 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 14.695 8.484 -4.685) 17.603 1.849 ( 16.398 9.468 -1.195) 18.973 3.117 ( 19.505 11.261 -4.790) 23.026 3.757 ( 2.426 1.401 0.429) 2.834 4.431 ( 14.702 8.488 4.091) 17.463 5.224 ( -7.589 -4.382 5.799) 10.508 6.034 ( 3.837 2.215 5.220) 6.847 6.526 ( -2.648 -1.529 2.404) 3.890 6.633 ( 3.077 1.777 -3.685) 5.119 7.442 ( 2.057 1.187 -0.607) 2.451 7.878 ( -8.539 -4.930 2.502) 10.172 8.737 ( -5.136 -2.965 -11.670) 13.091 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 8.817 5.090 -5.123) 11.397 2.170 ( 12.053 6.959 -1.623) 14.012 3.481 ( 14.433 8.333 -2.937) 16.922 3.814 ( 2.332 1.346 0.471) 2.733 4.747 ( 11.156 6.441 1.516) 12.970 5.071 ( -7.486 -4.322 6.991) 11.117 6.125 ( 2.730 1.576 4.421) 5.430 6.529 ( 2.281 1.317 3.126) 4.088 6.714 ( 4.733 2.733 -3.263) 6.365 7.416 ( -3.380 -1.951 -2.987) 4.915 7.669 ( -10.712 -6.184 0.998) 12.409 8.649 ( 0.679 0.392 -8.188) 8.225 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 3.707 2.140 -3.761) 5.698 2.385 ( 7.208 4.161 -1.385) 8.437 3.775 ( 11.731 6.773 0.121) 13.546 3.862 ( 1.665 0.962 0.354) 1.955 4.883 ( -3.006 -1.735 1.967) 3.989 4.978 ( 1.339 0.773 2.453) 2.900 6.189 ( 1.771 1.022 2.773) 3.445 6.646 ( 6.737 3.890 2.912) 8.306 6.810 ( 4.128 2.383 -2.061) 5.193 7.305 ( -5.005 -2.890 -1.672) 6.016 7.403 ( -11.428 -6.598 -3.747) 13.717 8.688 ( 3.366 1.943 -2.885) 4.840 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 0.855 0.493 -1.319) 1.647 2.490 ( 2.381 1.374 -0.539) 2.801 3.889 ( 0.598 0.345 0.128) 0.703 3.990 ( 5.755 3.322 0.733) 6.685 4.778 ( -3.838 -2.216 1.706) 4.749 5.028 ( 1.244 0.718 -0.706) 1.600 6.223 ( 0.644 0.372 0.924) 1.186 6.836 ( 8.448 4.878 1.695) 9.902 6.874 ( 1.610 0.930 -0.685) 1.981 7.119 ( -10.272 -5.931 0.638) 11.879 7.236 ( -1.733 -1.001 -3.883) 4.368 8.745 ( 1.607 0.928 -0.497) 1.921 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 23.664 9.201) 25.390 0.543 ( 0.000 24.570 8.018) 25.845 0.954 ( 0.000 44.978 7.432) 45.588 3.636 ( -0.000 0.712 -0.534) 0.890 3.715 ( 0.000 5.469 -0.665) 5.509 5.566 ( -0.000 -3.958 0.724) 4.023 5.694 ( -0.000 1.458 -3.791) 4.062 6.661 ( 0.000 -0.334 2.306) 2.330 6.676 ( 0.000 1.546 -0.597) 1.657 7.196 ( -0.000 4.555 -20.958) 21.447 8.322 ( 0.000 -4.123 2.124) 4.638 9.189 ( -0.000 -1.115 -1.565) 1.921 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 8.836 20.721 6.573) 23.465 0.938 ( 10.522 22.993 3.063) 25.471 1.626 ( 22.129 36.035 5.846) 42.690 3.657 ( 1.326 1.566 -0.342) 2.080 3.805 ( 3.682 7.205 -0.660) 8.119 5.503 ( -1.707 -5.977 1.729) 6.452 5.761 ( 5.457 2.390 -2.241) 6.365 6.634 ( -2.102 -0.169 0.699) 2.222 6.698 ( 0.201 -0.550 0.587) 0.829 7.194 ( 2.374 2.884 -12.795) 13.329 8.253 ( -3.250 -5.753 2.628) 7.111 9.127 ( -4.345 -2.407 -2.538) 5.578 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 14.594 17.050 2.197) 22.550 1.351 ( 12.144 19.445 0.618) 22.934 2.347 ( 22.992 26.625 0.573) 35.183 3.704 ( 1.307 3.280 -0.070) 3.532 3.991 ( 9.270 8.361 1.387) 12.560 5.406 ( -2.986 -7.277 3.099) 8.454 5.888 ( 5.620 3.989 0.580) 6.916 6.602 ( -1.219 -0.168 -1.367) 1.839 6.657 ( -2.958 -2.662 1.479) 4.245 7.267 ( 5.776 4.006 -6.494) 9.570 8.123 ( -5.528 -6.638 2.682) 9.045 8.978 ( -7.536 -3.754 -6.249) 10.485 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 14.202 13.483 -2.065) 19.691 1.732 ( 12.038 15.755 -0.140) 19.828 2.911 ( 18.140 17.452 -4.173) 25.516 3.764 ( 1.034 4.780 -0.090) 4.891 4.293 ( 13.530 9.838 4.252) 17.261 5.281 ( -4.247 -7.790 4.541) 9.967 6.025 ( 4.274 4.798 3.061) 7.117 6.559 ( -1.920 -2.650 -0.067) 3.274 6.617 ( -0.525 2.645 -0.799) 2.813 7.388 ( 5.251 2.049 -2.880) 6.330 7.960 ( -6.623 -6.833 3.172) 10.031 8.771 ( -7.865 -4.069 -10.173) 13.487 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 9.848 8.193 -4.718) 13.652 2.074 ( 10.582 13.750 -0.597) 17.361 3.304 ( 14.234 10.114 -3.895) 17.890 3.834 ( 0.861 6.419 -0.210) 6.480 4.630 ( 12.173 8.771 3.220) 15.345 5.143 ( -4.984 -7.553 6.045) 10.882 6.142 ( 2.180 5.020 4.502) 7.087 6.532 ( 0.187 0.779 1.694) 1.874 6.666 ( 2.697 4.066 -2.948) 5.701 7.425 ( -0.455 -1.307 -3.955) 4.190 7.778 ( -8.593 -7.182 3.450) 11.719 8.610 ( -1.894 -2.270 -9.811) 10.247 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 5.631 3.944 -4.416) 8.171 2.344 ( 6.366 11.633 -1.249) 13.320 3.587 ( 11.930 3.401 -1.013) 12.447 3.925 ( 0.852 9.890 -0.525) 9.940 4.862 ( 5.610 4.417 -0.497) 7.158 5.010 ( -4.306 -6.202 6.966) 10.273 6.230 ( 0.090 5.986 4.214) 7.321 6.597 ( 4.107 3.573 1.766) 5.723 6.754 ( 3.924 3.354 -2.840) 5.892 7.347 ( -3.663 -1.831 -5.467) 6.831 7.532 ( -12.051 -7.644 0.835) 14.295 8.604 ( 4.771 -0.917 -4.509) 6.628 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 2.457 1.594 -2.663) 3.959 2.510 ( 1.413 9.208 -0.865) 9.356 3.754 ( 7.437 -3.175 -0.138) 8.088 4.061 ( 1.176 13.298 -1.254) 13.409 4.834 ( -5.223 -4.037 1.512) 6.772 5.005 ( 2.380 0.030 2.585) 3.514 6.288 ( -2.347 6.937 2.623) 7.779 6.744 ( 7.499 4.293 0.526) 8.657 6.832 ( 3.322 1.057 -1.147) 3.670 7.235 ( -8.873 -5.640 -7.025) 12.646 7.278 ( -5.889 -0.429 2.744) 6.511 8.676 ( 5.232 -1.932 -1.312) 5.729 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.550 0.369 -0.437) 0.793 2.569 ( -3.475 6.559 0.158) 7.424 3.794 ( 3.287 -5.956 -1.077) 6.888 4.148 ( -5.374 9.624 -3.447) 11.549 4.748 ( -0.198 -1.132 -0.203) 1.167 5.037 ( 0.420 -0.871 4.052) 4.166 6.301 ( -4.492 6.485 0.544) 7.908 6.853 ( 2.026 -1.515 -0.434) 2.567 6.905 ( -1.524 -1.484 -0.634) 2.220 7.041 ( 0.889 1.979 -2.447) 3.271 7.258 ( -0.780 2.624 3.114) 4.147 8.713 ( 2.520 -3.889 -0.406) 4.652 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -1.361 -1.025 1.757) 2.447 2.521 ( -8.358 3.584 1.235) 9.177 3.743 ( -0.650 -8.370 -2.330) 8.713 4.054 ( -11.085 5.841 -2.552) 12.788 4.805 ( 5.526 2.180 -3.553) 6.922 5.019 ( -3.204 -1.963 4.685) 6.006 6.266 ( -5.700 4.598 -1.556) 7.487 6.728 ( -8.320 -3.702 -2.559) 9.460 6.844 ( -1.472 -1.866 1.099) 2.619 7.236 ( 9.341 7.228 -2.729) 12.122 7.324 ( 4.278 2.537 7.528) 9.023 8.687 ( 0.150 -5.156 0.916) 5.239 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -5.219 -3.093 3.393) 6.951 2.360 ( -13.277 0.140 1.794) 13.399 3.587 ( -6.818 -8.554 -1.080) 10.992 3.926 ( -8.788 4.486 -0.372) 9.873 4.868 ( -6.860 -2.304 0.207) 7.239 4.951 ( 4.816 0.278 -3.989) 6.260 6.192 ( -5.827 2.360 -3.276) 7.089 6.573 ( -5.597 -0.901 -2.812) 6.328 6.781 ( -4.335 -1.512 2.395) 5.178 7.385 ( 3.819 3.210 1.713) 5.275 7.534 ( 11.211 4.578 1.464) 12.198 8.652 ( 0.908 -3.852 4.715) 6.156 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -11.671 -5.154 3.941) 13.353 2.084 ( -17.514 -3.027 1.346) 17.824 3.337 ( -13.990 -7.330 2.614) 16.008 3.835 ( -6.245 2.836 -0.099) 6.860 4.604 ( -15.501 -6.408 -1.938) 16.885 5.084 ( 9.073 1.422 -5.392) 10.650 6.097 ( -5.747 1.140 -4.157) 7.184 6.510 ( -0.792 1.254 -2.465) 2.877 6.697 ( -4.657 -0.952 3.082) 5.665 7.447 ( 0.528 -0.161 0.167) 0.576 7.754 ( 9.888 3.258 -1.208) 10.480 8.706 ( 5.061 0.147 8.761) 10.119 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -19.964 -7.157 2.642) 21.372 1.739 ( -19.187 -3.360 1.152) 19.513 2.948 ( -24.939 -7.767 2.977) 26.290 3.763 ( -4.788 1.734 -0.232) 5.098 4.258 ( -15.074 -6.189 -2.468) 16.481 5.237 ( 9.161 0.725 -3.982) 10.016 5.989 ( -6.283 0.542 -3.924) 7.427 6.550 ( 3.945 1.893 -1.535) 4.637 6.637 ( -2.654 -0.283 2.738) 3.823 7.399 ( -3.697 -2.407 -0.727) 4.471 7.939 ( 9.133 2.442 -1.083) 9.516 8.864 ( 7.476 2.500 7.919) 11.174 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -23.029 -6.288 0.945) 23.891 1.354 ( -23.157 -2.073 0.987) 23.270 2.343 ( -36.849 -7.308 -0.001) 37.567 3.703 ( -3.468 0.684 -0.231) 3.542 3.983 ( -10.943 -3.237 -0.379) 11.418 5.378 ( 7.982 -0.007 -2.151) 8.267 5.872 ( -6.171 0.092 -2.438) 6.636 6.619 ( -0.266 -0.038 1.723) 1.743 6.644 ( 4.635 1.164 -0.865) 4.857 7.305 ( -4.005 -1.498 0.746) 4.341 8.106 ( 8.234 1.522 -0.720) 8.404 9.031 ( 6.505 1.889 3.976) 7.854 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -23.763 0.000 0.000) 23.763 0.923 ( -25.934 0.000 0.000) 25.934 1.595 ( -44.173 0.000 0.000) 44.173 3.659 ( -1.959 0.000 0.000) 1.959 3.809 ( -7.798 0.000 0.000) 7.798 5.494 ( 5.993 -0.000 -0.000) 5.993 5.773 ( -4.717 0.000 0.000) 4.717 6.630 ( 0.995 -0.000 -0.000) 0.995 6.695 ( 0.503 -0.000 -0.000) 0.503 7.262 ( -0.391 0.000 0.000) 0.391 8.239 ( 6.402 -0.000 -0.000) 6.402 9.140 ( 4.330 -0.000 -0.000) 4.330 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 22.923 7.297) 24.057 1.072 ( 0.000 23.730 6.426) 24.585 1.859 ( 0.000 41.706 5.172) 42.025 3.652 ( -0.000 1.425 -0.937) 1.706 3.861 ( 0.000 9.427 -0.290) 9.432 5.461 ( -0.000 -6.861 0.304) 6.868 5.707 ( -0.000 3.315 -5.510) 6.431 6.669 ( -0.000 -2.619 -1.124) 2.850 6.676 ( 0.000 -0.094 3.356) 3.357 7.164 ( -0.000 4.852 -13.100) 13.970 8.224 ( -0.000 -7.500 2.950) 8.059 9.139 ( -0.000 -3.152 -0.659) 3.220 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 3.442 22.487 6.083) 23.548 1.396 ( 6.929 20.737 3.202) 22.098 2.365 ( 10.580 34.538 1.674) 36.161 3.695 ( 3.038 2.531 -0.575) 3.996 3.984 ( 3.058 11.066 0.584) 11.495 5.373 ( -1.551 -8.255 1.515) 8.535 5.798 ( 7.172 4.024 -4.249) 9.256 6.610 ( -1.540 -4.019 -1.241) 4.479 6.681 ( -0.986 -0.145 2.803) 2.975 7.206 ( 3.224 5.568 -9.391) 11.384 8.129 ( -2.800 -8.425 2.781) 9.304 9.049 ( -5.855 -3.819 -2.363) 7.379 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 6.803 18.813 1.888) 20.095 1.728 ( 8.791 17.965 1.817) 20.083 2.843 ( 11.358 23.289 -3.302) 26.121 3.785 ( 2.921 4.819 -0.442) 5.652 4.212 ( 9.285 12.641 3.115) 15.991 5.261 ( -2.198 -9.211 3.067) 9.954 5.970 ( 8.014 4.897 -1.228) 9.472 6.542 ( -0.700 -3.887 -1.418) 4.196 6.675 ( -1.609 2.731 1.954) 3.724 7.303 ( 5.191 3.219 -5.859) 8.464 7.990 ( -4.495 -8.465 2.882) 10.009 8.858 ( -9.591 -4.138 -5.764) 11.930 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 6.468 11.590 -2.457) 13.498 2.068 ( 9.072 17.874 1.532) 20.103 3.193 ( 10.359 13.365 -3.890) 17.351 3.883 ( 1.969 7.208 -0.801) 7.515 4.536 ( 11.385 11.908 3.111) 16.766 5.140 ( -2.684 -9.162 4.393) 10.509 6.141 ( 5.595 5.176 2.397) 7.990 6.519 ( 1.515 -0.540 -1.491) 2.193 6.701 ( -0.693 5.721 0.146) 5.765 7.374 ( 2.992 -0.903 -5.277) 6.133 7.836 ( -5.449 -7.969 4.044) 10.467 8.635 ( -7.999 -3.414 -7.815) 11.693 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 4.997 6.291 -3.578) 8.795 2.378 ( 6.294 16.730 0.228) 17.876 3.449 ( 9.352 6.053 -0.879) 11.175 4.000 ( 2.262 10.216 -0.900) 10.502 4.806 ( 7.369 7.554 -0.115) 10.554 5.022 ( -3.028 -8.140 5.299) 10.174 6.280 ( 3.347 5.529 4.720) 8.004 6.572 ( 3.504 3.105 -1.736) 4.993 6.758 ( 0.105 6.556 -1.414) 6.708 7.346 ( -1.030 -2.709 -6.812) 7.403 7.652 ( -9.209 -7.427 3.488) 12.334 8.515 ( 0.491 -2.486 -5.006) 5.611 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 3.079 3.215 -2.865) 5.294 2.604 ( 1.769 14.837 -0.339) 14.946 3.619 ( 6.664 0.282 0.643) 6.701 4.159 ( 2.768 13.243 -0.966) 13.564 4.884 ( -4.545 -2.756 0.103) 5.317 4.957 ( 3.595 -1.557 2.813) 4.823 6.399 ( 1.011 7.395 4.381) 8.654 6.677 ( 5.044 4.220 -2.217) 6.940 6.808 ( 0.344 3.492 -1.200) 3.708 7.268 ( -2.989 -1.629 -7.489) 8.226 7.420 ( -10.437 -4.058 3.110) 11.622 8.541 ( 5.836 -3.709 -1.370) 7.049 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 1.337 1.517 -1.444) 2.485 2.726 ( -3.278 12.468 0.198) 12.893 3.687 ( 3.271 -3.437 -0.606) 4.783 4.308 ( -1.471 12.699 -3.612) 13.284 4.760 ( -3.911 -3.532 -0.051) 5.270 5.013 ( 2.955 -1.480 4.490) 5.575 6.468 ( -4.035 8.468 1.544) 9.507 6.785 ( 4.163 0.564 -2.102) 4.698 6.861 ( 4.101 1.344 0.789) 4.387 7.117 ( -8.248 -0.546 -4.133) 9.241 7.324 ( -2.445 2.594 2.363) 4.277 8.591 ( 5.298 -6.012 -0.514) 8.029 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -0.199 0.177 0.059) 0.272 2.737 ( -8.450 9.421 1.263) 12.718 3.665 ( 0.339 -5.730 -2.743) 6.361 4.283 ( -9.817 6.722 -5.464) 13.093 4.738 ( 2.841 0.725 -1.427) 3.261 5.054 ( 0.310 -1.163 7.172) 7.272 6.432 ( -7.458 4.930 -1.682) 9.097 6.826 ( -2.991 -2.087 0.828) 3.740 6.842 ( -2.223 0.317 -0.478) 2.296 7.140 ( 7.441 7.100 -1.566) 10.403 7.342 ( -0.220 2.854 3.820) 4.774 8.593 ( 3.264 -7.682 -0.338) 8.353 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -2.507 -1.302 1.299) 3.109 2.627 ( -13.657 5.392 1.893) 14.804 3.577 ( -2.272 -6.153 -3.324) 7.353 4.140 ( -10.476 4.301 -2.541) 11.606 4.817 ( 5.377 1.514 -3.603) 6.648 5.017 ( -6.326 -1.708 5.570) 8.600 6.321 ( -7.471 1.314 -2.894) 8.119 6.686 ( -7.953 0.589 -1.195) 8.064 6.849 ( -2.698 1.984 2.324) 4.076 7.351 ( 7.033 5.887 -3.560) 9.838 7.410 ( 5.730 1.279 6.026) 8.413 8.571 ( 3.357 -6.760 1.480) 7.692 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -6.799 -2.424 1.823) 7.445 2.391 ( -18.266 1.283 1.477) 18.370 3.448 ( -6.005 -4.646 -0.993) 7.657 4.006 ( -9.045 3.415 -0.339) 9.674 4.818 ( -14.262 -2.570 0.731) 14.510 4.932 ( 7.224 0.151 -2.758) 7.734 6.201 ( -6.226 0.496 -2.690) 6.800 6.574 ( -5.590 1.594 -1.418) 5.983 6.798 ( -5.865 1.543 2.180) 6.444 7.431 ( 1.525 0.650 0.072) 1.659 7.602 ( 10.432 1.978 -0.043) 10.618 8.615 ( 6.524 -2.699 4.263) 8.247 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -13.748 -2.342 1.481) 14.025 2.056 ( -20.597 -0.701 0.450) 20.614 3.246 ( -14.336 -2.803 1.023) 14.644 3.892 ( -7.495 2.064 0.134) 7.775 4.493 ( -18.451 -3.102 -0.882) 18.730 5.070 ( 9.145 0.123 -2.069) 9.377 6.097 ( -6.119 0.613 -1.767) 6.398 6.528 ( -0.631 1.079 -0.958) 1.575 6.713 ( -5.380 0.434 1.441) 5.586 7.425 ( -1.625 -1.039 -0.629) 2.029 7.789 ( 9.964 0.979 -0.362) 10.019 8.757 ( 8.911 0.324 3.766) 9.679 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -22.315 0.000 0.000) 22.315 1.712 ( -19.747 0.000 0.000) 19.747 2.877 ( -27.585 0.000 0.000) 27.585 3.788 ( -5.792 0.000 0.000) 5.792 4.181 ( -14.864 0.000 0.000) 14.864 5.225 ( 9.161 -0.000 -0.000) 9.161 5.985 ( -6.883 0.000 0.000) 6.883 6.566 ( 4.177 -0.000 -0.000) 4.177 6.646 ( -2.730 0.000 0.000) 2.730 7.367 ( -3.865 0.000 0.000) 3.865 7.960 ( 9.395 -0.000 -0.000) 9.395 8.919 ( 8.360 -0.000 -0.000) 8.360 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.000 20.959 4.664) 21.471 1.552 ( 0.000 20.822 3.935) 21.190 2.634 ( 0.000 33.552 0.722) 33.560 3.680 ( -0.000 2.124 -1.118) 2.400 4.087 ( 0.000 13.544 1.254) 13.602 5.304 ( -0.000 -9.212 0.826) 9.249 5.761 ( -0.000 5.713 -4.328) 7.167 6.564 ( -0.000 -6.049 -1.335) 6.195 6.702 ( 0.000 0.678 2.681) 2.765 7.208 ( -0.000 6.136 -8.981) 10.876 8.073 ( -0.000 -9.329 2.422) 9.639 9.056 ( -0.000 -4.460 -1.400) 4.674 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 1.188 18.227 2.200) 18.398 1.792 ( 5.442 18.602 2.845) 19.589 2.954 ( 2.967 24.410 -3.102) 24.785 3.747 ( 4.930 3.143 -0.849) 5.908 4.264 ( 2.995 16.431 2.889) 16.950 5.203 ( -1.084 -9.779 2.053) 10.050 5.878 ( 7.060 6.507 -2.398) 9.896 6.501 ( -0.126 -4.854 -0.907) 4.939 6.719 ( -0.065 1.766 1.768) 2.500 7.253 ( 2.192 4.061 -7.364) 8.690 7.968 ( -2.215 -9.217 2.195) 9.730 8.947 ( -6.510 -4.627 -2.892) 8.495 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 1.880 11.836 -1.246) 12.049 2.112 ( 8.237 18.802 2.734) 20.709 3.192 ( 4.427 14.358 -4.091) 15.572 3.877 ( 5.512 4.803 -1.141) 7.400 4.527 ( 6.534 16.331 2.652) 17.788 5.096 ( -1.465 -9.086 3.531) 9.857 6.080 ( 8.234 6.519 0.839) 10.535 6.475 ( 1.620 -1.400 -1.352) 2.532 6.756 ( 0.757 4.063 0.589) 4.175 7.295 ( 2.597 -0.133 -6.583) 7.078 7.841 ( -3.313 -8.301 2.923) 9.404 8.742 ( -10.066 -3.990 -4.649) 11.784 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 2.516 7.250 -2.593) 8.101 2.441 ( 7.497 18.076 1.731) 19.645 3.379 ( 6.169 7.174 -1.095) 9.525 4.023 ( 5.279 7.202 -1.052) 8.991 4.773 ( 5.657 9.172 -0.785) 10.805 5.007 ( -1.932 -5.385 4.439) 7.241 6.266 ( 5.596 5.091 4.385) 8.744 6.526 ( 4.053 2.927 -3.167) 5.918 6.826 ( 0.860 6.643 -0.786) 6.745 7.285 ( 1.278 -3.522 -7.128) 8.053 7.710 ( -4.717 -7.269 3.770) 9.450 8.534 ( -7.273 -2.812 -4.045) 8.784 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 2.438 4.318 -2.379) 5.501 2.719 ( 3.927 16.991 0.693) 17.452 3.529 ( 5.708 1.873 1.578) 6.212 4.202 ( 6.015 10.099 -0.094) 11.755 4.871 ( 3.327 -4.612 1.393) 5.855 4.954 ( -4.028 3.252 -1.175) 5.309 6.414 ( 4.780 4.500 4.948) 8.221 6.628 ( 4.449 4.215 -3.522) 7.069 6.881 ( -2.190 5.892 -1.833) 6.547 7.249 ( 1.057 -1.420 -6.885) 7.109 7.549 ( -7.977 -5.050 2.926) 9.884 8.437 ( 0.371 -3.429 -0.951) 3.577 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 1.555 2.505 -1.503) 3.310 2.907 ( -1.004 15.258 0.498) 15.299 3.610 ( 2.996 -1.953 1.184) 3.767 4.408 ( 4.006 12.115 -0.645) 12.776 4.810 ( -5.348 -4.038 0.799) 6.748 4.942 ( 2.927 -1.422 -0.723) 3.334 6.550 ( 3.300 5.053 1.908) 6.330 6.720 ( 3.747 1.169 -1.416) 4.173 6.861 ( -2.483 2.196 -1.501) 3.639 7.235 ( -3.576 4.086 -5.015) 7.391 7.405 ( -4.827 -0.171 2.514) 5.445 8.438 ( 4.286 -6.174 0.386) 7.526 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.307 1.158 -0.588) 1.335 2.985 ( -6.570 12.590 1.349) 14.265 3.603 ( 0.251 -4.572 -1.321) 4.766 4.488 ( -7.792 7.975 -5.534) 12.447 4.710 ( -0.052 -0.927 -0.340) 0.988 5.014 ( 5.551 -1.881 5.757) 8.216 6.567 ( -5.100 1.166 -3.522) 6.307 6.801 ( 4.535 1.187 4.589) 6.560 6.864 ( 0.820 -0.080 -1.244) 1.492 7.193 ( -4.585 9.071 -2.367) 10.435 7.391 ( -0.902 2.412 1.715) 3.094 8.441 ( 4.264 -8.420 -0.145) 9.439 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -1.186 0.015 0.150) 1.196 2.930 ( -12.662 8.079 1.972) 15.149 3.537 ( -0.917 -4.859 -3.091) 5.832 4.342 ( -10.591 2.769 -3.781) 11.582 4.750 ( 3.049 1.181 -1.533) 3.612 5.085 ( 0.329 -0.316 5.650) 5.668 6.439 ( -7.270 -1.101 -2.840) 7.882 6.799 ( -4.700 -0.833 0.260) 4.781 6.925 ( 1.107 4.614 3.128) 5.684 7.275 ( 4.268 7.944 -3.076) 9.529 7.404 ( -0.204 0.579 3.139) 3.199 8.430 ( 4.514 -7.660 -0.123) 8.893 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -3.539 -0.603 0.462) 3.619 2.726 ( -17.574 2.700 1.108) 17.814 3.469 ( -1.838 -2.496 -1.721) 3.546 4.185 ( -9.279 1.528 -1.066) 9.464 4.819 ( 4.878 0.526 -1.464) 5.120 5.023 ( -9.023 -0.582 2.433) 9.363 6.301 ( -6.622 -0.652 -1.479) 6.816 6.694 ( -6.701 0.249 -0.208) 6.708 6.937 ( -5.610 3.421 1.566) 6.755 7.407 ( 2.548 2.072 -2.811) 4.323 7.452 ( 7.617 0.067 2.800) 8.116 8.472 ( 7.085 -3.337 0.927) 7.887 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -7.526 0.000 0.000) 7.526 2.411 ( -20.317 0.000 0.000) 20.317 3.397 ( -5.596 0.000 0.000) 5.596 4.041 ( -8.479 0.000 0.000) 8.479 4.793 ( -16.983 0.000 0.000) 16.983 4.924 ( 7.391 -0.000 -0.000) 7.391 6.193 ( -5.527 0.000 0.000) 5.527 6.587 ( -5.415 0.000 0.000) 5.415 6.833 ( -7.576 0.000 0.000) 7.576 7.430 ( 0.389 -0.000 -0.000) 0.389 7.620 ( 10.130 -0.000 -0.000) 10.130 8.604 ( 9.252 -0.000 -0.000) 9.252 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 0.000 14.813 0.382) 14.818 1.932 ( 0.000 17.298 1.926) 17.405 3.144 ( 0.000 18.961 -4.868) 19.575 3.721 ( 0.000 2.820 -0.926) 2.969 4.431 ( 0.000 19.001 4.046) 19.427 5.124 ( -0.000 -9.343 2.520) 9.677 5.879 ( 0.000 8.105 -1.096) 8.179 6.454 ( -0.000 -3.791 -0.117) 3.793 6.735 ( 0.000 1.328 0.692) 1.498 7.248 ( -0.000 2.880 -7.386) 7.928 7.903 ( -0.000 -8.895 1.671) 9.051 8.947 ( -0.000 -5.094 -2.585) 5.712 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -0.786 9.899 -1.920) 10.114 2.165 ( 6.623 15.963 1.369) 17.336 3.274 ( 0.098 11.494 -5.174) 12.605 3.804 ( 5.854 3.261 -1.150) 6.799 4.641 ( 1.522 16.493 2.871) 16.810 5.051 ( -0.752 -5.356 4.503) 7.038 6.023 ( 6.443 8.489 1.104) 10.715 6.437 ( 0.998 -0.973 0.048) 1.395 6.762 ( 1.507 1.922 -0.388) 2.473 7.245 ( 0.590 -0.158 -7.166) 7.192 7.811 ( -1.622 -7.748 1.844) 8.128 8.832 ( -6.249 -4.747 -3.298) 8.513 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.368 5.964 -2.933) 6.656 2.467 ( 9.641 15.200 1.308) 18.047 3.367 ( 2.529 6.017 -2.087) 6.852 3.954 ( 7.835 3.831 -1.520) 8.853 4.773 ( 1.694 2.360 -0.782) 3.008 5.052 ( -1.735 6.517 5.593) 8.762 6.232 ( 6.656 6.877 4.021) 10.381 6.480 ( 3.463 3.144 -1.868) 5.036 6.829 ( 3.799 3.262 -1.086) 5.124 7.209 ( 0.231 -3.479 -7.184) 7.986 7.711 ( -2.587 -6.495 2.455) 7.410 8.642 ( -9.025 -3.366 -3.077) 10.112 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 1.625 3.809 -2.387) 4.780 2.781 ( 8.466 14.940 0.896) 17.196 3.466 ( 4.408 1.677 1.430) 4.928 4.141 ( 9.507 5.168 -0.615) 10.839 4.778 ( 1.942 -4.608 -0.304) 5.010 5.093 ( -5.456 8.590 0.764) 10.205 6.392 ( 4.321 4.295 4.929) 7.836 6.589 ( 4.193 5.291 -3.187) 7.466 6.932 ( 2.472 4.549 -1.944) 5.530 7.160 ( 2.746 -3.807 -6.310) 7.864 7.606 ( -4.044 -5.195 2.221) 6.948 8.468 ( -6.692 -2.198 -0.982) 7.112 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 1.742 2.506 -1.378) 3.348 3.038 ( 3.935 14.421 0.254) 14.951 3.543 ( 3.458 -1.957 2.655) 4.778 4.380 ( 10.816 7.236 1.169) 13.066 4.770 ( 2.828 -5.122 1.087) 5.951 5.015 ( -9.725 3.576 -3.855) 11.056 6.520 ( 4.739 3.862 2.083) 6.459 6.676 ( 2.350 1.609 -1.182) 3.084 6.930 ( -3.407 0.985 -2.712) 4.464 7.237 ( 6.393 3.761 -4.038) 8.445 7.493 ( -5.082 -2.227 1.489) 5.745 8.368 ( -2.094 -3.522 1.010) 4.220 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 0.864 1.388 -0.600) 1.742 3.194 ( -1.883 12.950 0.641) 13.102 3.550 ( 0.571 -5.053 0.889) 5.162 4.615 ( 4.499 8.750 -0.299) 9.844 4.752 ( -5.490 -1.728 -0.090) 5.756 4.887 ( 2.736 -3.617 -0.699) 4.589 6.609 ( -0.428 1.825 -4.290) 4.682 6.719 ( 5.334 -1.464 4.584) 7.184 6.883 ( -2.234 1.228 -1.152) 2.797 7.345 ( -0.784 7.698 -2.727) 8.204 7.425 ( -1.403 0.580 1.170) 1.917 8.316 ( 0.918 -5.969 0.890) 6.104 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -0.340 0.428 -0.138) 0.564 3.213 ( -9.631 8.271 1.592) 12.795 3.490 ( -0.061 -5.071 -1.520) 5.294 4.544 ( -12.234 1.464 -2.561) 12.584 4.719 ( 1.729 1.148 -0.534) 2.143 5.018 ( 8.797 -0.784 2.956) 9.313 6.531 ( -5.709 -0.979 -2.039) 6.141 6.849 ( -0.702 -0.303 3.122) 3.214 6.864 ( 6.725 1.153 -0.973) 6.892 7.362 ( -3.019 7.274 -1.511) 8.019 7.428 ( -1.253 -0.054 1.090) 1.661 8.293 ( 3.119 -5.070 0.018) 5.952 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -1.642 0.000 0.000) 1.642 3.031 ( -15.478 0.000 0.000) 15.478 3.466 ( -0.016 0.000 0.000) 0.016 4.355 ( -10.209 0.000 0.000) 10.209 4.757 ( 2.615 -0.000 -0.000) 2.615 5.104 ( 0.256 -0.000 -0.000) 0.256 6.411 ( -6.937 0.000 0.000) 6.937 6.792 ( -4.618 0.000 0.000) 4.618 6.989 ( 3.486 -0.000 -0.000) 3.486 7.382 ( -0.204 0.000 0.000) 0.204 7.394 ( 0.416 -0.000 -0.000) 0.416 8.341 ( 5.628 -0.000 -0.000) 5.628 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -0.000 6.441 -3.688) 7.422 2.231 ( 0.000 12.237 -0.198) 12.238 3.348 ( -0.000 6.877 -5.952) 9.095 3.778 ( 0.000 3.320 -0.348) 3.339 4.751 ( 0.000 4.231 1.056) 4.361 5.085 ( 0.000 8.294 7.428) 11.134 6.059 ( 0.000 9.341 2.393) 9.643 6.428 ( 0.000 0.925 1.042) 1.393 6.757 ( -0.000 1.104 -1.758) 2.076 7.210 ( -0.000 -1.714 -7.060) 7.265 7.759 ( -0.000 -6.537 1.408) 6.687 8.826 ( -0.000 -5.048 -3.260) 6.009 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -1.079 3.164 -4.305) 5.450 2.426 ( 9.074 10.132 -0.500) 13.610 3.382 ( 0.513 3.401 -3.538) 4.935 3.860 ( 5.501 3.032 -0.741) 6.325 4.746 ( 0.204 -3.576 0.035) 3.582 5.222 ( -2.127 14.652 6.780) 16.285 6.214 ( 5.404 8.538 4.027) 10.877 6.466 ( 1.695 3.642 0.375) 4.035 6.781 ( 2.753 0.774 -2.397) 3.732 7.156 ( -0.517 -3.607 -6.717) 7.642 7.693 ( -1.358 -5.264 1.437) 5.623 8.721 ( -5.163 -4.154 -2.976) 7.264 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 1.126 1.898 -3.096) 3.802 2.716 ( 13.009 9.405 -0.073) 16.053 3.422 ( 2.496 0.868 -0.125) 2.646 4.009 ( 8.911 2.569 -1.060) 9.334 4.715 ( 0.669 -3.774 -0.152) 3.836 5.302 ( -6.114 11.146 3.239) 13.119 6.387 ( 3.927 5.324 4.960) 8.268 6.568 ( 4.086 6.510 -1.905) 7.919 6.862 ( 6.951 0.837 -1.637) 7.190 7.080 ( -0.767 -4.578 -5.974) 7.566 7.618 ( -2.472 -4.183 1.260) 5.019 8.570 ( -7.206 -2.307 -1.534) 7.720 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 2.241 1.471 -1.483) 3.063 3.027 ( 11.642 9.305 -0.233) 14.906 3.475 ( 3.160 -1.545 2.132) 4.113 4.215 ( 12.755 2.550 -0.145) 13.008 4.697 ( 1.185 -2.815 -0.162) 3.058 5.241 ( -11.214 5.533 -0.440) 12.512 6.497 ( 3.115 3.522 2.580) 5.363 6.666 ( 1.202 3.265 -1.199) 3.680 6.962 ( -0.411 0.117 -2.544) 2.579 7.081 ( 10.841 -0.710 -2.685) 11.191 7.539 ( -3.086 -2.494 0.665) 4.023 8.432 ( -6.584 -1.235 0.249) 6.703 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 1.796 0.813 -0.457) 2.023 3.272 ( 6.545 8.491 -0.673) 10.742 3.492 ( 0.716 -4.160 1.982) 4.663 4.494 ( 15.866 3.075 1.013) 16.193 4.697 ( 1.685 -2.341 -0.080) 2.885 5.042 ( -14.673 1.206 -1.829) 14.836 6.596 ( 4.203 3.351 -1.058) 5.478 6.666 ( -0.955 -2.166 1.353) 2.727 6.927 ( -1.965 0.398 -1.141) 2.307 7.289 ( 10.488 2.114 -1.173) 10.763 7.476 ( -2.765 -0.254 0.146) 2.780 8.320 ( -4.941 -1.609 0.726) 5.246 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.680 -0.000 -0.000) 0.680 3.412 ( -5.956 0.000 0.000) 5.956 3.417 ( 3.675 -0.000 -0.000) 3.675 4.700 ( 0.700 -0.000 -0.000) 0.700 4.784 ( -14.432 0.000 0.000) 14.432 4.800 ( 15.634 -0.000 -0.000) 15.634 6.603 ( -3.656 0.000 0.000) 3.656 6.725 ( 7.696 -0.000 -0.000) 7.696 6.892 ( -2.244 0.000 0.000) 2.244 7.425 ( 3.521 -0.000 -0.000) 3.521 7.436 ( -2.223 0.000 0.000) 2.223 8.251 ( -1.423 0.000 0.000) 1.423 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -0.000 -0.052 -5.369) 5.369 2.414 ( 0.000 6.906 -1.036) 6.983 3.386 ( -0.000 1.035 -3.372) 3.528 3.842 ( 0.000 2.911 0.145) 2.915 4.706 ( -0.000 -3.956 0.254) 3.964 5.414 ( 0.000 14.058 6.295) 15.403 6.264 ( 0.000 8.440 4.555) 9.590 6.496 ( 0.000 4.491 1.418) 4.710 6.748 ( -0.000 -0.224 -3.681) 3.688 7.102 ( -0.000 -4.137 -5.758) 7.090 7.664 ( -0.000 -3.963 0.971) 4.080 8.713 ( -0.000 -4.047 -2.797) 4.919 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.732 -0.398 -3.673) 3.766 2.565 ( 10.661 4.678 -0.839) 11.672 3.391 ( 1.298 -0.063 -1.391) 1.904 3.909 ( 4.756 2.001 -0.173) 5.163 4.675 ( 0.258 -2.645 0.084) 2.659 5.515 ( -4.359 9.636 3.955) 11.291 6.393 ( 3.588 6.042 4.631) 8.416 6.568 ( 2.642 5.774 0.263) 6.356 6.756 ( 3.327 -1.462 -3.043) 4.740 7.036 ( -0.859 -4.006 -4.529) 6.107 7.621 ( -1.446 -2.789 0.672) 3.213 8.636 ( -3.790 -2.577 -1.780) 4.917 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 2.585 0.214 -1.333) 2.916 2.838 ( 15.915 3.167 -0.292) 16.229 3.421 ( 2.526 -0.449 0.273) 2.580 4.039 ( 9.002 0.952 -0.327) 9.058 4.664 ( 0.584 -1.233 -0.042) 1.365 5.474 ( -9.392 4.178 1.138) 10.343 6.494 ( 1.977 2.408 2.294) 3.869 6.683 ( 1.638 4.965 -0.756) 5.282 6.841 ( 11.024 -1.875 -0.444) 11.191 6.974 ( -0.842 -2.291 -2.808) 3.720 7.567 ( -2.426 -1.467 0.299) 2.851 8.532 ( -5.777 -0.831 -0.424) 5.852 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 2.709 -0.000 -0.000) 2.709 3.124 ( 14.185 -0.000 -0.000) 14.185 3.460 ( 1.857 -0.000 -0.000) 1.857 4.240 ( 13.938 -0.000 -0.000) 13.938 4.669 ( 0.785 -0.000 -0.000) 0.785 5.295 ( -13.505 0.000 0.000) 13.505 6.547 ( 2.862 -0.000 -0.000) 2.862 6.691 ( -1.798 0.000 0.000) 1.798 6.947 ( -0.710 0.000 0.000) 0.710 7.071 ( 14.597 -0.000 -0.000) 14.597 7.517 ( -2.527 0.000 0.000) 2.527 8.420 ( -6.623 0.000 0.000) 6.623 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -0.000 -1.020 -2.522) 2.721 2.497 ( 0.000 2.178 -0.531) 2.241 3.372 ( -0.000 -0.364 -0.964) 1.031 3.885 ( 0.000 1.177 0.139) 1.185 4.654 ( -0.000 -1.321 0.065) 1.323 5.641 ( 0.000 5.272 2.381) 5.785 6.427 ( 0.000 4.306 3.372) 5.469 6.590 ( 0.000 3.124 0.861) 3.240 6.705 ( -0.000 -1.191 -2.989) 3.218 6.998 ( -0.000 -2.643 -2.486) 3.629 7.615 ( -0.000 -1.382 0.314) 1.417 8.640 ( -0.000 -1.631 -1.118) 1.977 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 1.856 -0.000 -0.000) 1.856 2.607 ( 11.146 -0.000 -0.000) 11.146 3.383 ( 1.602 -0.000 -0.000) 1.602 3.929 ( 4.442 -0.000 -0.000) 4.442 4.650 ( 0.309 -0.000 -0.000) 0.309 5.626 ( -5.210 0.000 0.000) 5.210 6.479 ( 2.018 -0.000 -0.000) 2.018 6.658 ( 6.318 -0.000 -0.000) 6.318 6.701 ( 0.809 -0.000 -0.000) 0.809 6.972 ( -0.825 0.000 0.000) 0.825 7.595 ( -1.531 0.000 0.000) 1.531 8.603 ( -3.130 0.000 0.000) 3.130 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.241 ( 0.000 -0.000 23.550) 23.550 0.241 ( 0.000 -0.000 23.550) 23.550 0.389 ( 0.000 -0.000 38.073) 38.073 3.628 ( -0.000 0.000 -0.488) 0.488 3.628 ( -0.000 0.000 -0.488) 0.488 5.682 ( -0.000 0.000 -2.213) 2.213 5.682 ( -0.000 0.000 -2.213) 2.213 6.318 ( -0.000 0.000 -5.535) 5.535 6.665 ( 0.000 -0.000 1.603) 1.603 6.665 ( 0.000 -0.000 1.603) 1.603 8.373 ( 0.000 -0.000 3.339) 3.339 9.129 ( -0.000 0.000 -0.813) 0.813 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 17.457 10.079 10.381) 22.674 0.560 ( 16.655 9.616 12.125) 22.735 1.079 ( 34.779 20.080 16.036) 43.242 3.637 ( 0.825 0.476 -0.438) 1.048 3.697 ( 4.861 2.806 -1.757) 5.881 5.592 ( -2.660 -1.536 1.555) 3.443 5.730 ( 3.408 1.968 -0.549) 3.974 6.644 ( -1.541 -0.890 0.814) 1.956 6.677 ( 2.681 1.548 -1.223) 3.328 7.020 ( 12.999 7.505 -29.214) 32.844 8.344 ( -3.672 -2.120 3.993) 5.824 9.142 ( -1.966 -1.135 -4.169) 4.747 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 18.649 10.767 3.881) 21.881 1.001 ( 19.296 11.140 4.621) 22.755 1.894 ( 32.466 18.744 5.605) 37.905 3.663 ( 1.544 0.892 -0.347) 1.817 3.857 ( 9.527 5.500 0.509) 11.012 5.518 ( -4.380 -2.529 2.219) 5.523 5.829 ( 5.063 2.923 1.108) 5.950 6.606 ( -1.649 -0.952 -0.240) 1.919 6.700 ( -1.506 -0.870 1.095) 2.055 7.145 ( 7.940 4.584 -14.566) 17.211 8.239 ( -6.482 -3.742 3.941) 8.458 9.025 ( -6.463 -3.732 -6.339) 9.792 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 17.430 10.063 -1.237) 20.164 1.446 ( 18.445 10.649 1.640) 21.362 2.568 ( 25.825 14.910 -2.270) 29.907 3.704 ( 2.187 1.263 -0.188) 2.532 4.134 ( 13.733 7.929 4.362) 16.446 5.411 ( -5.813 -3.356 3.519) 7.579 5.959 ( 5.460 3.152 2.870) 6.927 6.579 ( -0.213 -0.123 -1.732) 1.749 6.626 ( -4.394 -2.537 1.277) 5.232 7.306 ( 8.186 4.726 -6.143) 11.273 8.086 ( -7.781 -4.492 4.062) 9.860 8.819 ( -8.540 -4.931 -10.600) 14.478 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 13.910 8.031 -4.580) 16.703 1.841 ( 15.785 9.113 -0.255) 18.229 3.065 ( 19.410 11.207 -5.338) 23.040 3.759 ( 2.553 1.474 0.012) 2.948 4.480 ( 14.110 8.147 5.507) 17.199 5.281 ( -6.740 -3.891 5.359) 9.449 6.084 ( 4.165 2.405 4.515) 6.596 6.549 ( -2.207 -1.274 2.158) 3.339 6.597 ( 2.724 1.573 -3.340) 4.588 7.417 ( 2.014 1.163 -4.297) 4.886 7.916 ( -8.846 -5.108 4.897) 11.328 8.612 ( -4.621 -2.668 -12.668) 13.746 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 9.053 5.227 -5.641) 11.878 2.155 ( 11.864 6.850 -1.190) 13.751 3.444 ( 15.674 9.049 -4.294) 18.601 3.817 ( 2.389 1.379 0.155) 2.763 4.769 ( 9.244 5.337 2.607) 10.988 5.144 ( -7.004 -4.044 7.227) 10.847 6.173 ( 2.236 1.291 4.884) 5.524 6.558 ( 2.382 1.375 2.453) 3.685 6.678 ( 5.110 2.950 -3.808) 7.023 7.370 ( -3.576 -2.065 -5.847) 7.159 7.685 ( -12.514 -7.225 1.996) 14.587 8.569 ( 3.379 1.951 -7.365) 8.335 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 4.727 2.729 -4.436) 7.033 2.372 ( 7.407 4.277 -1.159) 8.631 3.754 ( 12.482 7.207 -4.130) 14.993 3.864 ( 1.639 0.947 0.173) 1.901 4.884 ( -0.778 -0.449 -0.964) 1.318 5.041 ( -2.608 -1.506 8.781) 9.283 6.223 ( 0.886 0.512 3.837) 3.972 6.668 ( 6.447 3.722 1.500) 7.593 6.784 ( 4.824 2.785 -2.973) 6.314 7.262 ( -3.625 -2.093 -6.466) 7.702 7.392 ( -12.540 -7.240 1.256) 14.534 8.659 ( 4.819 2.783 -2.675) 6.174 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 2.117 1.223 -2.136) 3.246 2.485 ( 2.809 1.622 -0.429) 3.272 3.890 ( 0.512 0.296 0.062) 0.595 3.955 ( 5.812 3.356 -7.223) 9.860 4.787 ( -4.334 -2.502 -0.111) 5.006 5.065 ( 0.338 0.195 7.716) 7.726 6.239 ( -0.344 -0.199 2.260) 2.294 6.846 ( 8.198 4.733 0.475) 9.478 6.861 ( 2.361 1.363 -1.724) 3.226 7.080 ( -9.402 -5.428 -7.266) 13.064 7.250 ( -1.014 -0.586 5.316) 5.443 8.736 ( 2.150 1.242 -1.246) 2.778 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.430 0.249 0.367) 0.618 2.496 ( -1.932 -1.115 0.557) 2.299 3.887 ( -0.713 -0.412 -0.174) 0.842 3.940 ( -4.342 -2.507 -8.609) 9.963 4.759 ( 2.263 1.307 -2.010) 3.296 5.074 ( -2.286 -1.320 7.791) 8.226 6.221 ( -1.684 -0.972 0.487) 2.005 6.809 ( -8.999 -5.195 -3.601) 10.997 6.875 ( -0.838 -0.484 -0.387) 1.042 7.094 ( 10.187 5.882 -2.748) 12.080 7.302 ( 3.395 1.960 7.682) 8.624 8.746 ( -0.847 -0.489 -0.322) 1.029 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -2.641 -1.525 2.655) 4.043 2.399 ( -6.933 -4.003 1.378) 8.124 3.751 ( -9.322 -5.382 -4.651) 11.726 3.857 ( -1.756 -1.014 -0.484) 2.084 4.843 ( 5.004 2.889 -4.919) 7.588 4.995 ( -6.393 -3.691 4.833) 8.823 6.167 ( -2.825 -1.631 -1.467) 3.576 6.611 ( -6.712 -3.875 -3.849) 8.654 6.826 ( -3.350 -1.934 1.036) 4.004 7.305 ( 7.775 4.489 -1.150) 9.051 7.456 ( 7.946 4.587 5.880) 10.897 8.716 ( -1.468 -0.848 2.606) 3.109 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -8.414 -4.858 3.900) 10.469 2.187 ( -12.057 -6.961 1.787) 14.036 3.501 ( -12.287 -7.094 0.749) 14.208 3.808 ( -2.336 -1.349 -0.717) 2.791 4.739 ( -12.891 -7.443 -0.185) 14.886 5.007 ( 7.113 4.107 -5.373) 9.814 6.085 ( -3.603 -2.080 -3.468) 5.416 6.496 ( -1.992 -1.150 -3.289) 4.013 6.743 ( -4.115 -2.376 2.428) 5.336 7.426 ( 3.048 1.760 -0.993) 3.657 7.669 ( 8.979 5.184 1.114) 10.428 8.729 ( 1.691 0.976 7.377) 7.631 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -14.909 -8.608 3.897) 17.651 1.865 ( -16.621 -9.596 1.927) 19.288 3.159 ( -19.400 -11.200 3.424) 22.661 3.751 ( -2.345 -1.354 -0.766) 2.814 4.399 ( -15.124 -8.732 -2.153) 17.596 5.168 ( 8.109 4.682 -4.977) 10.604 5.981 ( -4.157 -2.400 -5.014) 6.941 6.501 ( 3.073 1.774 -2.376) 4.271 6.669 ( -2.933 -1.693 3.370) 4.778 7.429 ( -2.049 -1.183 -3.020) 3.836 7.865 ( 8.213 4.742 -0.177) 9.485 8.844 ( 5.338 3.082 9.113) 11.002 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -19.752 -11.404 2.362) 22.929 1.476 ( -19.487 -11.251 3.673) 22.800 2.604 ( -30.062 -17.357 1.678) 34.754 3.699 ( -1.929 -1.114 -0.692) 2.333 4.084 ( -11.599 -6.697 -0.868) 13.422 5.331 ( 7.203 4.159 -3.357) 8.969 5.866 ( -4.205 -2.428 -5.533) 7.362 6.596 ( 5.064 2.924 -1.626) 6.069 6.637 ( -0.946 -0.546 3.484) 3.651 7.340 ( -4.059 -2.343 -3.031) 5.581 8.045 ( 7.553 4.361 -0.042) 8.721 9.002 ( 5.649 3.261 6.527) 9.228 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -21.115 -12.191 3.993) 24.707 1.017 ( -21.544 -12.438 4.403) 25.264 1.828 ( -37.341 -21.559 0.666) 43.123 3.659 ( -1.308 -0.755 -0.600) 1.625 3.861 ( -8.019 -4.630 0.252) 9.263 5.467 ( 5.408 3.122 -1.618) 6.451 5.762 ( -3.212 -1.854 -5.012) 6.235 6.643 ( 0.307 0.177 2.988) 3.009 6.680 ( 1.928 1.113 -1.066) 2.468 7.258 ( -1.537 -0.888 -4.764) 5.084 8.205 ( 6.145 3.548 0.767) 7.137 9.128 ( 3.812 2.201 2.809) 5.221 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 21.273 12.743) 24.797 0.659 ( 0.000 19.412 14.489) 24.224 1.091 ( 0.000 36.534 18.364) 40.890 3.628 ( -0.000 0.632 -0.933) 1.127 3.703 ( 0.000 6.218 -1.578) 6.415 5.581 ( -0.000 -5.133 1.873) 5.464 5.649 ( -0.000 0.663 -4.897) 4.942 6.666 ( -0.000 2.497 -1.826) 3.094 6.689 ( 0.000 0.065 3.114) 3.115 6.918 ( -0.000 18.118 -29.164) 34.334 8.358 ( 0.000 -4.446 4.743) 6.501 9.159 ( -0.000 0.748 -3.714) 3.788 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 5.931 18.546 11.583) 22.656 0.987 ( 8.104 21.578 6.679) 23.998 1.703 ( 19.838 31.808 8.824) 38.512 3.652 ( 1.643 1.560 -0.685) 2.367 3.798 ( 4.145 7.821 -0.450) 8.863 5.523 ( -1.131 -6.044 1.691) 6.378 5.731 ( 7.939 1.175 -3.555) 8.778 6.643 ( -2.781 -0.352 0.934) 2.955 6.708 ( 0.190 -0.197 1.516) 1.541 7.023 ( 5.783 8.790 -19.669) 22.306 8.290 ( -3.423 -6.268 4.645) 8.519 9.091 ( -5.792 -1.711 -4.385) 7.464 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 11.238 16.221 5.379) 20.454 1.368 ( 10.755 18.877 2.752) 21.899 2.350 ( 20.444 24.125 -0.166) 31.623 3.701 ( 1.399 3.317 -0.523) 3.637 4.014 ( 10.827 8.957 3.102) 14.390 5.435 ( -2.360 -6.940 2.498) 7.744 5.885 ( 8.078 3.100 -1.114) 8.724 6.593 ( -2.122 -1.006 -0.328) 2.371 6.673 ( -3.020 -1.892 1.544) 3.884 7.180 ( 8.885 6.772 -10.362) 15.237 8.159 ( -5.564 -7.097 4.333) 10.005 8.907 ( -9.927 -3.440 -7.649) 12.996 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 11.420 12.851 -1.039) 17.223 1.738 ( 11.362 16.072 1.245) 19.722 2.865 ( 17.292 16.959 -4.941) 24.719 3.761 ( 1.193 4.629 -0.505) 4.807 4.343 ( 14.012 9.443 5.611) 17.804 5.325 ( -3.386 -7.445 3.915) 9.067 6.049 ( 6.263 4.471 1.597) 7.860 6.551 ( -0.521 -2.234 -1.042) 2.519 6.620 ( -2.683 2.140 1.012) 3.578 7.343 ( 6.382 2.487 -5.947) 9.071 8.003 ( -6.187 -7.043 5.194) 10.717 8.662 ( -9.643 -3.150 -11.212) 15.120 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 8.925 8.498 -4.562) 13.141 2.072 ( 9.681 13.957 0.151) 16.986 3.261 ( 14.852 11.450 -4.431) 19.269 3.831 ( 1.041 6.028 -0.508) 6.138 4.667 ( 11.102 7.166 3.878) 13.771 5.203 ( -4.034 -7.493 5.679) 10.231 6.186 ( 2.991 4.954 4.110) 7.098 6.542 ( 1.528 -0.158 0.151) 1.543 6.642 ( 1.211 4.632 -1.732) 5.091 7.371 ( -0.747 -1.837 -6.551) 6.844 7.819 ( -9.921 -7.779 4.343) 13.334 8.513 ( -0.317 -0.072 -9.087) 9.093 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 5.843 4.813 -4.737) 8.931 2.335 ( 5.996 11.848 -0.601) 13.293 3.567 ( 12.201 5.260 -2.883) 13.596 3.917 ( 0.784 9.231 -1.084) 9.327 4.861 ( 4.148 2.708 0.108) 4.955 5.086 ( -3.269 -6.520 7.746) 10.639 6.276 ( -0.403 5.807 4.676) 7.466 6.607 ( 4.672 2.349 0.025) 5.230 6.726 ( 3.849 4.165 -2.566) 6.225 7.281 ( -3.384 -2.251 -7.252) 8.313 7.546 ( -12.970 -7.259 1.773) 14.968 8.563 ( 6.335 0.558 -3.457) 7.238 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 3.247 2.495 -3.243) 5.224 2.504 ( 1.543 9.551 -0.392) 9.683 3.739 ( 7.183 -2.201 -2.708) 7.986 4.033 ( 0.104 12.820 -3.938) 13.412 4.832 ( -4.477 -3.428 -1.449) 5.822 5.070 ( 1.892 -1.968 9.383) 9.772 6.319 ( -3.284 6.406 3.440) 7.978 6.738 ( 7.412 2.707 -1.597) 8.051 6.823 ( 4.093 2.837 -0.772) 5.039 7.153 ( -7.101 -3.700 -8.543) 11.709 7.322 ( -6.409 -1.651 5.138) 8.378 8.661 ( 5.618 -1.348 -1.531) 5.977 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 1.605 1.038 -1.286) 2.303 2.572 ( -3.161 7.023 0.448) 7.714 3.771 ( 2.981 -5.985 -3.761) 7.671 4.090 ( -5.455 9.974 -7.200) 13.457 4.742 ( -0.923 -1.442 -0.943) 1.955 5.111 ( 0.239 -1.566 10.026) 10.150 6.312 ( -5.356 5.516 1.599) 7.853 6.843 ( 3.356 -0.649 -1.562) 3.758 6.892 ( -5.503 -3.586 -2.197) 6.927 7.005 ( 4.217 5.354 -3.683) 7.747 7.309 ( 0.581 1.909 6.270) 6.580 8.705 ( 2.848 -3.566 -1.176) 4.712 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -0.191 -0.718 0.616) 0.965 2.534 ( -8.123 4.049 1.422) 9.187 3.705 ( -0.609 -8.068 -5.086) 9.556 4.017 ( -8.916 6.672 -4.408) 11.976 4.770 ( 3.985 1.663 -3.178) 5.361 5.088 ( -4.848 -2.813 8.437) 10.129 6.257 ( -6.441 3.476 -0.303) 7.326 6.696 ( -8.573 -2.893 -3.678) 9.766 6.852 ( -0.987 -0.990 0.357) 1.443 7.210 ( 9.151 6.906 -2.394) 11.712 7.398 ( 4.803 2.083 7.039) 8.772 8.694 ( 1.467 -4.576 0.352) 4.819 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -4.256 -3.273 1.909) 5.698 2.380 ( -13.280 0.305 2.074) 13.445 3.566 ( -4.804 -7.667 -3.047) 9.547 3.918 ( -7.902 4.759 -1.237) 9.306 4.849 ( 0.326 0.633 -3.816) 3.882 4.949 ( -5.620 -3.386 3.257) 7.325 6.165 ( -6.558 1.723 -1.956) 7.057 6.543 ( -5.767 -0.198 -3.161) 6.580 6.802 ( -3.849 -0.948 1.543) 4.254 7.380 ( 4.790 3.695 -2.369) 6.497 7.562 ( 8.814 2.758 3.735) 9.963 8.697 ( 3.306 -3.170 3.999) 6.080 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -10.897 -5.585 2.415) 12.481 2.102 ( -17.857 -3.512 2.074) 18.317 3.354 ( -11.999 -7.238 0.631) 14.028 3.832 ( -6.373 3.203 -0.440) 7.146 4.592 ( -16.934 -6.749 -0.340) 18.232 5.037 ( 8.679 2.228 -3.660) 9.679 6.059 ( -6.562 1.439 -3.268) 7.470 6.484 ( -0.647 1.754 -2.566) 3.175 6.726 ( -4.225 -0.952 2.559) 5.030 7.429 ( 0.026 0.092 -3.486) 3.487 7.753 ( 9.221 2.723 1.010) 9.667 8.783 ( 6.575 -0.552 6.416) 9.203 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -20.252 -8.019 3.114) 22.003 1.753 ( -18.507 -4.154 1.531) 19.029 2.970 ( -25.012 -8.648 1.353) 26.499 3.760 ( -4.975 2.043 -0.429) 5.395 4.242 ( -14.931 -5.756 -0.693) 16.017 5.204 ( 9.210 1.941 -2.285) 9.686 5.948 ( -6.890 1.906 -4.096) 8.239 6.532 ( 4.157 2.382 -1.884) 5.148 6.667 ( -2.450 -1.020 3.047) 4.041 7.375 ( -3.474 -1.285 -3.952) 5.416 7.937 ( 8.971 2.371 0.584) 9.298 8.928 ( 7.526 0.255 4.675) 8.864 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -22.662 -7.731 3.800) 24.244 1.369 ( -22.611 -3.378 2.090) 22.958 2.349 ( -37.122 -7.769 1.178) 37.944 3.700 ( -3.544 0.993 -0.411) 3.704 3.982 ( -10.657 -3.020 0.021) 11.076 5.365 ( 7.997 1.464 -0.215) 8.133 5.840 ( -6.466 2.595 -3.817) 7.944 6.622 ( 2.936 0.181 -1.034) 3.118 6.653 ( 1.583 0.090 2.438) 2.908 7.282 ( -4.117 -0.366 -5.133) 6.590 8.108 ( 8.279 1.577 1.236) 8.518 9.056 ( 6.290 -0.885 0.932) 6.420 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 20.465 9.006) 22.359 1.148 ( 0.000 21.432 8.756) 23.152 1.924 ( 0.000 37.685 7.287) 38.383 3.641 ( -0.000 1.395 -1.174) 1.824 3.858 ( 0.000 10.103 -0.185) 10.105 5.470 ( -0.000 -7.181 1.342) 7.305 5.653 ( -0.000 3.409 -5.033) 6.079 6.659 ( -0.000 -3.136 -0.785) 3.233 6.709 ( 0.000 -0.170 3.131) 3.136 7.008 ( -0.000 10.318 -16.873) 19.778 8.262 ( 0.000 -8.297 4.500) 9.439 9.116 ( -0.000 -2.333 -3.861) 4.510 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 2.640 20.289 7.760) 21.882 1.435 ( 5.598 19.434 4.372) 20.691 2.378 ( 8.628 31.656 0.651) 32.817 3.688 ( 3.383 2.519 -0.821) 4.297 3.996 ( 3.844 11.861 1.897) 12.612 5.392 ( -0.859 -8.271 2.053) 8.565 5.758 ( 8.184 4.345 -3.644) 9.957 6.599 ( -1.448 -4.542 -0.737) 4.824 6.707 ( -1.283 -0.034 2.336) 2.666 7.099 ( 4.679 8.706 -11.338) 15.041 8.163 ( -2.770 -9.237 3.920) 10.409 9.009 ( -7.201 -3.176 -5.334) 9.508 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 4.455 16.627 2.284) 17.365 1.753 ( 8.343 18.320 3.149) 20.375 2.802 ( 10.333 22.404 -4.690) 25.114 3.778 ( 2.897 4.687 -0.898) 5.583 4.251 ( 10.104 12.477 4.512) 16.677 5.294 ( -1.561 -9.036 3.177) 9.704 5.957 ( 9.611 5.452 -1.138) 11.108 6.531 ( -0.850 -3.935 -0.585) 4.068 6.693 ( -2.018 2.331 1.431) 3.399 7.235 ( 6.383 4.131 -7.361) 10.583 8.025 ( -3.964 -8.981 4.089) 10.634 8.789 ( -11.467 -3.103 -7.898) 14.265 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 5.067 11.196 -2.231) 12.490 2.087 ( 8.130 17.968 2.275) 19.852 3.150 ( 11.038 14.637 -4.347) 18.841 3.873 ( 2.026 7.008 -1.067) 7.373 4.569 ( 10.866 10.108 3.365) 15.217 5.185 ( -2.018 -9.115 4.432) 10.334 6.164 ( 7.208 6.090 2.102) 9.667 6.504 ( 1.377 -1.279 -1.302) 2.286 6.703 ( -1.428 5.303 0.222) 5.496 7.311 ( 2.881 -1.268 -6.948) 7.628 7.883 ( -5.045 -8.466 5.076) 11.086 8.551 ( -8.457 -1.291 -8.478) 12.044 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 4.583 6.938 -3.545) 9.039 2.384 ( 5.458 16.819 0.999) 17.710 3.436 ( 9.981 7.904 -1.698) 12.844 3.988 ( 2.180 10.274 -1.286) 10.581 4.807 ( 6.577 5.489 0.289) 8.572 5.076 ( -2.304 -8.739 5.268) 10.461 6.329 ( 3.678 6.043 4.837) 8.571 6.548 ( 4.049 1.918 -2.824) 5.296 6.747 ( -0.440 6.524 -0.815) 6.589 7.271 ( -1.135 -2.898 -7.769) 8.369 7.686 ( -10.251 -7.614 3.082) 13.136 8.469 ( 1.968 -0.432 -3.934) 4.420 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 3.255 4.114 -3.016) 6.051 2.605 ( 1.469 15.085 0.489) 15.164 3.617 ( 6.104 1.450 -0.908) 6.339 4.140 ( 1.802 13.635 -2.630) 14.003 4.867 ( -3.331 -1.224 -2.560) 4.376 5.015 ( 3.494 -5.429 7.388) 9.811 6.443 ( 0.121 6.956 4.125) 8.088 6.649 ( 5.427 3.493 -3.118) 7.168 6.801 ( 0.979 3.842 -0.317) 3.977 7.190 ( -3.221 -1.151 -7.942) 8.647 7.452 ( -9.635 -3.699 3.285) 10.830 8.529 ( 6.151 -2.743 -0.994) 6.808 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 1.812 2.261 -1.881) 3.454 2.732 ( -3.149 12.892 0.934) 13.304 3.672 ( 2.131 -2.963 -2.336) 4.333 4.255 ( -3.305 12.587 -6.393) 14.499 4.753 ( -3.421 -3.168 -1.323) 4.846 5.085 ( 4.466 -2.812 9.014) 10.445 6.481 ( -4.893 6.571 1.030) 8.258 6.767 ( 5.046 2.597 -1.552) 5.883 6.868 ( 3.866 0.389 0.686) 3.945 7.066 ( -6.898 1.850 -5.750) 9.169 7.359 ( -2.134 1.371 4.163) 4.875 8.584 ( 5.052 -5.602 -0.888) 7.596 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 0.455 0.617 -0.718) 1.050 2.753 ( -8.260 9.870 1.850) 13.003 3.629 ( -0.462 -5.465 -4.284) 6.959 4.219 ( -8.688 7.677 -6.636) 13.359 4.724 ( 1.763 0.417 -1.394) 2.286 5.138 ( 0.160 -2.298 9.123) 9.409 6.418 ( -7.497 3.084 -0.986) 8.166 6.816 ( -7.390 -1.250 -2.074) 7.777 6.850 ( 1.468 2.618 1.110) 3.200 7.118 ( 7.444 6.810 -2.479) 10.389 7.388 ( 1.212 1.873 4.866) 5.353 8.587 ( 3.638 -7.337 -0.761) 8.224 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -1.844 -1.249 0.166) 2.233 2.649 ( -13.679 5.366 2.332) 14.877 3.539 ( -1.769 -5.339 -4.018) 6.912 4.110 ( -8.972 5.200 -3.212) 10.856 4.784 ( 4.303 1.848 -2.913) 5.515 5.078 ( -7.597 -3.200 6.326) 10.391 6.299 ( -7.513 0.770 -1.339) 7.670 6.668 ( -8.447 1.534 -2.139) 8.848 6.870 ( -2.895 2.653 1.669) 4.267 7.310 ( 7.474 5.098 -4.477) 10.094 7.469 ( 5.126 0.682 5.541) 7.579 8.585 ( 4.861 -6.470 1.058) 8.162 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -6.286 -2.791 0.487) 6.895 2.409 ( -18.401 0.621 2.019) 18.522 3.433 ( -4.799 -3.872 -1.749) 6.409 3.999 ( -8.351 3.812 -0.984) 9.233 4.818 ( -11.491 -1.765 -0.912) 11.662 4.922 ( 2.588 -0.583 0.976) 2.827 6.182 ( -6.570 0.976 -1.034) 6.722 6.555 ( -5.887 2.420 -2.311) 6.772 6.818 ( -5.681 1.224 1.727) 6.062 7.407 ( 2.076 1.547 -4.362) 5.072 7.618 ( 9.071 0.811 2.807) 9.530 8.651 ( 7.933 -3.655 2.681) 9.137 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -13.152 -3.350 0.503) 13.581 2.066 ( -20.831 -1.490 1.488) 20.938 3.247 ( -13.787 -3.131 -0.985) 14.173 3.892 ( -7.406 2.124 -0.249) 7.709 4.491 ( -18.837 -2.811 0.566) 19.054 5.059 ( 8.999 1.527 -0.107) 9.128 6.082 ( -6.747 2.034 -1.052) 7.125 6.513 ( -0.567 2.092 -1.876) 2.867 6.729 ( -5.077 -0.781 1.749) 5.426 7.403 ( -1.591 0.474 -3.535) 3.906 7.794 ( 9.670 0.715 1.340) 9.789 8.781 ( 9.235 -2.357 0.925) 9.576 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -21.664 -1.910 1.128) 21.777 1.715 ( -19.797 -0.725 0.718) 19.823 2.868 ( -27.076 -1.003 -1.676) 27.146 3.788 ( -5.749 0.072 -0.115) 5.751 4.189 ( -15.101 0.837 1.492) 15.197 5.235 ( 9.170 1.566 1.911) 9.497 5.980 ( -7.258 2.508 -0.812) 7.722 6.557 ( 3.875 1.142 -1.415) 4.280 6.656 ( -2.232 -1.968 1.695) 3.425 7.350 ( -4.285 1.669 -3.292) 5.656 7.967 ( 9.446 0.024 1.536) 9.570 8.903 ( 8.362 -3.336 -3.051) 9.506 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.000 19.197 4.672) 19.757 1.595 ( 0.000 18.650 4.550) 19.197 2.631 ( 0.000 30.687 -1.595) 30.728 3.668 ( -0.000 2.181 -1.127) 2.455 4.108 ( 0.000 14.678 2.983) 14.978 5.320 ( -0.000 -9.036 2.229) 9.307 5.725 ( 0.000 6.631 -2.736) 7.173 6.554 ( -0.000 -5.783 -0.466) 5.802 6.725 ( 0.000 0.119 1.787) 1.791 7.112 ( -0.000 8.284 -9.656) 12.723 8.101 ( -0.000 -10.203 3.075) 10.656 9.023 ( -0.000 -3.815 -5.173) 6.428 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.572 15.111 1.227) 15.171 1.825 ( 5.548 18.498 3.436) 19.615 2.912 ( 2.473 23.127 -5.271) 23.849 3.737 ( 4.962 3.053 -1.050) 5.919 4.302 ( 3.016 16.864 4.574) 17.732 5.231 ( -0.717 -9.452 3.318) 10.044 5.861 ( 7.513 7.676 -0.845) 10.774 6.497 ( -0.285 -4.598 0.266) 4.615 6.731 ( -0.113 1.094 0.735) 1.322 7.177 ( 2.698 4.860 -7.619) 9.432 7.993 ( -1.872 -9.834 2.671) 10.360 8.900 ( -7.299 -3.761 -6.248) 10.317 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 1.325 10.725 -1.749) 10.947 2.140 ( 8.174 18.107 2.716) 20.051 3.147 ( 5.241 15.385 -4.639) 16.902 3.865 ( 5.530 4.630 -1.344) 7.336 4.556 ( 5.623 14.804 2.931) 16.105 5.137 ( -1.222 -8.613 4.508) 9.798 6.092 ( 9.275 7.939 1.637) 12.318 6.467 ( 0.758 -1.858 -0.172) 2.014 6.757 ( 0.610 3.427 -0.335) 3.497 7.226 ( 2.711 -0.315 -6.897) 7.418 7.872 ( -2.488 -8.752 3.370) 9.703 8.683 ( -10.677 -2.422 -6.751) 12.863 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 2.367 7.282 -2.749) 8.136 2.459 ( 7.107 17.642 1.857) 19.111 3.367 ( 7.279 8.898 -1.231) 11.562 4.012 ( 5.517 7.402 -1.088) 9.296 4.766 ( 5.006 7.392 -0.594) 8.948 5.052 ( -2.333 -5.793 4.509) 7.703 6.314 ( 6.423 6.157 4.900) 10.157 6.495 ( 3.209 2.088 -2.840) 4.767 6.816 ( 0.672 6.058 -1.230) 6.218 7.211 ( 1.060 -3.475 -7.278) 8.135 7.746 ( -4.634 -7.971 3.362) 9.814 8.491 ( -6.497 -0.727 -4.312) 7.831 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 2.530 4.889 -2.331) 5.978 2.729 ( 3.633 16.753 1.147) 17.181 3.542 ( 5.680 3.096 0.832) 6.522 4.199 ( 5.826 11.038 -0.630) 12.497 4.876 ( 4.864 -0.155 -0.437) 4.886 4.954 ( -5.459 -3.699 1.303) 6.722 6.460 ( 3.981 3.399 3.831) 6.486 6.597 ( 4.905 5.133 -2.268) 7.453 6.863 ( -1.933 5.095 -1.575) 5.673 7.178 ( 1.052 -0.383 -6.959) 7.049 7.575 ( -7.969 -5.349 2.247) 9.857 8.430 ( 1.122 -2.139 -0.564) 2.481 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 1.719 3.127 -1.548) 3.890 2.916 ( -0.849 15.240 1.245) 15.314 3.616 ( 1.827 -1.396 0.086) 2.301 4.390 ( 1.572 13.079 -2.784) 13.464 4.801 ( -7.161 -2.954 -2.243) 8.065 4.963 ( 7.641 -4.309 4.513) 9.865 6.551 ( 1.864 2.734 -1.485) 3.627 6.726 ( 4.723 3.807 2.294) 6.485 6.846 ( -1.700 1.203 -1.308) 2.460 7.180 ( -2.849 5.834 -5.543) 8.537 7.432 ( -4.692 -0.921 2.678) 5.481 8.442 ( 3.891 -5.626 0.302) 6.847 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 0.523 1.619 -0.889) 1.919 3.002 ( -6.217 12.786 2.156) 14.380 3.585 ( -1.160 -4.408 -2.147) 5.039 4.426 ( -8.614 8.850 -6.372) 13.897 4.705 ( -0.116 -0.694 -0.617) 0.936 5.079 ( 6.987 -3.310 6.807) 10.301 6.534 ( -4.537 0.256 -2.766) 5.319 6.839 ( 0.253 1.915 -0.040) 1.932 6.856 ( 4.890 0.378 2.416) 5.467 7.165 ( -4.361 9.917 -3.123) 11.275 7.413 ( -0.309 1.537 2.417) 2.881 8.439 ( 3.818 -8.133 -0.279) 8.989 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -0.940 0.232 -0.475) 1.079 2.953 ( -12.764 7.710 2.519) 15.123 3.506 ( -1.215 -3.976 -2.903) 5.071 4.304 ( -9.723 4.566 -3.681) 11.355 4.736 ( 2.498 1.474 -1.302) 3.179 5.139 ( 0.114 -2.600 4.937) 5.581 6.419 ( -6.949 -0.686 -1.079) 7.065 6.790 ( -4.841 -0.222 -1.858) 5.190 6.956 ( 0.652 4.132 2.817) 5.043 7.238 ( 3.256 7.862 -3.967) 9.389 7.438 ( 1.168 0.069 3.426) 3.621 8.429 ( 4.862 -7.447 -0.040) 8.894 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -3.386 -0.710 -0.483) 3.493 2.739 ( -17.699 1.583 1.462) 17.830 3.456 ( -1.606 -0.987 -0.973) 2.122 4.174 ( -8.847 2.684 -1.224) 9.326 4.805 ( 4.395 1.758 -1.267) 4.900 5.046 ( -9.111 -2.893 2.139) 9.796 6.296 ( -6.588 0.100 0.547) 6.611 6.683 ( -6.854 0.980 -1.860) 7.169 6.950 ( -5.846 2.302 0.893) 6.346 7.356 ( 4.325 3.696 -5.950) 8.232 7.497 ( 5.740 -1.405 4.661) 7.527 8.479 ( 7.578 -3.967 0.430) 8.565 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -7.533 -0.564 -1.076) 7.631 2.415 ( -20.204 -1.102 0.711) 20.246 3.395 ( -6.081 0.745 -0.433) 6.142 4.039 ( -8.521 0.377 -0.449) 8.541 4.789 ( -15.700 -0.157 -0.636) 15.713 4.935 ( 6.694 0.657 2.143) 7.060 6.202 ( -5.727 0.968 1.701) 6.053 6.579 ( -5.364 1.181 -1.611) 5.724 6.833 ( -7.366 -1.339 -0.038) 7.487 7.407 ( 1.109 1.817 -4.153) 4.667 7.636 ( 9.449 -0.832 2.878) 9.913 8.595 ( 8.881 -2.022 -1.695) 9.264 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -13.810 1.076 -2.184) 14.023 2.057 ( -20.310 -0.169 0.594) 20.320 3.227 ( -15.398 2.488 -2.754) 15.839 3.889 ( -7.401 -2.005 -0.471) 7.682 4.509 ( -17.479 3.475 2.206) 17.957 5.099 ( 9.296 1.226 3.585) 10.038 6.117 ( -6.303 0.899 2.234) 6.747 6.530 ( -0.553 0.461 -0.500) 0.877 6.702 ( -5.219 -2.153 -0.551) 5.673 7.415 ( -1.253 2.355 -2.626) 3.743 7.803 ( 9.840 -1.088 2.400) 10.186 8.707 ( 8.142 -2.968 -6.166) 10.636 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 0.000 12.728 -0.719) 12.748 1.948 ( 0.000 16.130 1.195) 16.174 3.084 ( 0.000 18.176 -6.816) 19.412 3.713 ( 0.000 3.009 -0.663) 3.081 4.479 ( 0.000 18.819 5.358) 19.567 5.160 ( 0.000 -8.567 4.401) 9.632 5.877 ( 0.000 9.331 0.714) 9.358 6.460 ( -0.000 -3.456 1.334) 3.705 6.736 ( -0.000 0.477 -0.407) 0.627 7.174 ( -0.000 3.231 -7.161) 7.856 7.919 ( -0.000 -9.311 1.676) 9.461 8.903 ( -0.000 -4.239 -6.112) 7.438 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -0.851 8.605 -3.097) 9.185 2.175 ( 7.309 14.936 0.497) 16.636 3.219 ( 1.193 12.332 -5.377) 13.506 3.794 ( 5.419 3.315 -0.880) 6.413 4.671 ( 0.545 14.217 3.134) 14.568 5.105 ( -0.811 -3.708 6.004) 7.103 6.042 ( 6.798 9.698 2.488) 12.102 6.444 ( 0.324 -1.072 1.500) 1.872 6.753 ( 1.654 1.160 -1.423) 2.471 7.174 ( 0.620 -0.214 -6.778) 6.809 7.828 ( -1.172 -8.004 1.582) 8.243 8.784 ( -6.355 -3.575 -5.977) 9.428 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 0.785 5.697 -3.429) 6.696 2.477 ( 10.176 14.476 0.512) 17.702 3.349 ( 3.992 7.363 -1.449) 8.500 3.941 ( 7.861 3.895 -1.082) 8.839 4.769 ( 0.986 1.997 0.064) 2.228 5.107 ( -2.986 5.574 5.139) 8.149 6.277 ( 7.595 7.985 4.755) 12.002 6.466 ( 1.759 2.317 -0.840) 3.028 6.814 ( 3.891 2.934 -1.872) 5.220 7.139 ( 0.212 -3.393 -6.559) 7.387 7.733 ( -2.084 -7.017 1.760) 7.528 8.604 ( -8.516 -1.804 -4.294) 9.706 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 2.083 4.156 -2.331) 5.200 2.787 ( 8.614 14.353 0.310) 16.743 3.482 ( 5.195 2.649 1.763) 6.092 4.138 ( 10.207 5.466 -0.032) 11.578 4.778 ( 2.310 -4.288 0.378) 4.885 5.097 ( -7.679 7.001 -0.097) 10.392 6.440 ( 3.230 3.113 4.129) 6.097 6.564 ( 4.694 6.225 -1.351) 7.912 6.910 ( 1.941 4.205 -2.430) 5.230 7.099 ( 3.195 -2.694 -5.553) 6.950 7.623 ( -3.909 -5.836 1.200) 7.126 8.457 ( -5.663 -0.972 -1.085) 5.847 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 1.990 2.971 -1.224) 3.780 3.040 ( 4.286 13.828 0.223) 14.479 3.568 ( 2.872 -1.515 2.171) 3.906 4.392 ( 10.772 7.882 1.163) 13.398 4.785 ( 4.389 -6.247 1.906) 7.869 4.973 ( -11.334 3.767 -4.295) 12.692 6.523 ( 2.909 2.878 -1.319) 4.299 6.688 ( 3.721 2.151 3.280) 5.406 6.901 ( -2.869 1.120 -2.961) 4.272 7.197 ( 6.124 5.331 -3.811) 8.969 7.505 ( -4.682 -2.855 0.929) 5.562 8.377 ( -1.792 -3.131 0.898) 3.718 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.953 1.761 -0.594) 2.089 3.203 ( -1.004 12.542 1.082) 12.628 3.556 ( -0.880 -5.055 0.295) 5.139 4.605 ( 1.161 9.827 -1.574) 10.020 4.743 ( -8.135 -1.190 -1.485) 8.354 4.895 ( 9.034 -5.013 2.022) 10.528 6.570 ( -0.338 1.836 -3.268) 3.764 6.762 ( 4.809 -2.141 3.562) 6.356 6.871 ( -1.511 2.149 -0.930) 2.787 7.317 ( -0.381 8.923 -2.704) 9.332 7.437 ( -1.309 -0.116 1.179) 1.765 8.325 ( 0.489 -5.988 0.730) 6.052 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -0.324 0.674 -0.367) 0.833 3.231 ( -9.480 7.237 1.901) 12.077 3.477 ( -0.505 -4.221 -1.168) 4.408 4.520 ( -12.060 4.029 -2.142) 12.894 4.714 ( 1.526 1.382 -0.488) 2.116 5.043 ( 9.005 -3.355 1.963) 9.809 6.519 ( -5.273 0.389 -0.245) 5.293 6.825 ( 0.591 0.327 -3.947) 4.004 6.898 ( 5.112 -0.723 3.556) 6.269 7.346 ( -3.694 8.013 -1.605) 8.968 7.440 ( -0.387 -0.459 1.136) 1.285 8.295 ( 2.924 -5.064 0.315) 5.856 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -1.748 0.087 -0.536) 1.830 3.032 ( -15.392 -1.733 0.086) 15.489 3.473 ( -0.009 1.902 1.247) 2.274 4.356 ( -10.322 1.945 0.321) 10.508 4.757 ( 2.641 0.973 0.067) 2.815 5.097 ( 0.359 -2.838 -1.243) 3.119 6.421 ( -6.902 1.036 1.907) 7.235 6.779 ( -4.216 0.609 -2.430) 4.904 6.985 ( 3.116 -1.912 -0.686) 3.720 7.353 ( -1.672 4.698 -3.476) 6.079 7.421 ( 1.710 -4.167 3.038) 5.432 8.343 ( 5.499 -0.105 0.383) 5.514 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -3.885 0.421 -1.342) 4.132 2.718 ( -17.342 -3.753 -0.548) 17.752 3.489 ( -2.479 3.593 2.116) 4.852 4.195 ( -9.972 -0.528 0.785) 10.017 4.835 ( 5.191 1.016 1.696) 5.555 4.998 ( -7.951 -1.610 -2.543) 8.502 6.325 ( -6.659 1.310 3.257) 7.528 6.687 ( -6.356 0.675 -1.614) 6.593 6.919 ( -5.167 -4.417 -1.866) 7.050 7.378 ( 1.920 1.862 -5.597) 6.204 7.474 ( 8.078 -4.043 4.230) 9.975 8.461 ( 5.980 2.724 -1.204) 6.681 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -7.393 1.865 -2.945) 8.173 2.380 ( -17.987 -2.087 -0.653) 18.119 3.453 ( -7.840 5.063 0.069) 9.333 4.006 ( -9.644 -3.188 -0.331) 10.162 4.810 ( -12.608 2.502 -0.719) 12.874 4.971 ( 8.182 0.512 4.617) 9.409 6.235 ( -6.195 -0.102 3.963) 7.355 6.581 ( -5.068 -0.140 -0.050) 5.070 6.776 ( -5.894 -2.299 -2.039) 6.647 7.405 ( 2.182 0.199 -4.614) 5.107 7.619 ( 10.713 -3.315 2.913) 11.586 8.567 ( 4.433 1.970 -5.110) 7.046 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -0.000 5.319 -5.272) 7.489 2.225 ( 0.000 11.746 -0.926) 11.783 3.293 ( -0.000 8.025 -4.741) 9.320 3.777 ( 0.000 3.517 0.013) 3.517 4.767 ( 0.000 2.315 1.966) 3.037 5.161 ( 0.000 9.078 7.373) 11.695 6.090 ( 0.000 10.274 3.679) 10.913 6.447 ( 0.000 0.808 2.613) 2.735 6.735 ( -0.000 0.289 -2.701) 2.717 7.140 ( -0.000 -1.596 -6.487) 6.680 7.769 ( -0.000 -6.619 0.612) 6.647 8.781 ( -0.000 -3.926 -5.476) 6.737 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -0.297 3.084 -4.911) 5.806 2.416 ( 9.474 9.889 -1.294) 13.755 3.355 ( 1.658 4.421 -1.622) 4.992 3.856 ( 4.986 3.194 -0.201) 5.925 4.753 ( -0.118 -3.895 1.281) 4.102 5.283 ( -3.031 13.566 5.182) 14.835 6.259 ( 5.772 9.178 4.714) 11.822 6.477 ( 0.395 3.110 1.704) 3.568 6.754 ( 3.304 0.360 -2.948) 4.443 7.091 ( -0.559 -3.205 -6.003) 6.828 7.702 ( -1.122 -5.410 0.196) 5.529 8.685 ( -4.798 -2.916 -4.067) 6.933 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 1.897 2.468 -2.835) 4.210 2.709 ( 13.383 9.266 -1.157) 16.318 3.430 ( 3.689 1.201 1.695) 4.234 4.002 ( 8.927 2.698 -0.127) 9.327 4.718 ( 0.472 -4.018 0.868) 4.137 5.325 ( -7.716 10.418 1.131) 13.014 6.439 ( 3.332 4.283 5.010) 7.386 6.553 ( 3.534 6.883 -0.857) 7.784 6.845 ( 7.351 1.351 -1.730) 7.672 7.023 ( -0.630 -3.885 -5.114) 6.453 7.623 ( -2.296 -4.438 -0.224) 5.001 8.554 ( -6.426 -1.306 -1.606) 6.751 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 2.623 2.058 -1.076) 3.503 3.018 ( 11.701 9.143 -1.416) 14.917 3.502 ( 3.584 -1.972 3.160) 5.169 4.220 ( 13.468 2.398 1.165) 13.730 4.699 ( 1.148 -3.122 0.554) 3.372 5.227 ( -12.619 5.981 -2.219) 14.140 6.511 ( 1.643 2.819 0.264) 3.274 6.672 ( 2.206 3.117 2.360) 4.489 6.933 ( -0.997 0.724 -3.088) 3.325 7.059 ( 11.511 0.812 -1.744) 11.670 7.540 ( -2.947 -2.705 -0.510) 4.032 8.435 ( -5.979 -1.043 0.355) 6.080 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 1.870 1.213 -0.233) 2.241 3.261 ( 6.979 8.324 -1.282) 10.938 3.513 ( 0.217 -5.045 2.082) 5.462 4.508 ( 16.115 2.203 1.826) 16.367 4.698 ( 1.842 -2.754 0.309) 3.328 5.019 ( -15.146 3.146 -2.565) 15.681 6.572 ( 2.185 3.420 -2.801) 4.931 6.698 ( 0.641 -2.972 4.056) 5.070 6.914 ( -1.502 1.673 -1.354) 2.624 7.278 ( 10.299 3.327 -0.842) 10.856 7.475 ( -2.564 -0.434 -0.366) 2.626 8.327 ( -4.850 -2.159 0.577) 5.340 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.621 0.272 0.000) 0.677 3.413 ( -5.781 0.402 0.086) 5.796 3.417 ( 3.701 -1.315 -0.087) 3.929 4.700 ( 0.609 0.128 0.027) 0.623 4.784 ( -11.771 -0.386 -0.042) 11.777 4.800 ( 12.887 0.969 0.016) 12.923 6.604 ( -2.533 2.956 0.271) 3.902 6.721 ( 5.837 -2.794 -0.546) 6.494 6.894 ( -1.729 0.258 0.307) 1.775 7.424 ( 2.730 1.438 -0.226) 3.094 7.437 ( -1.445 -0.442 0.193) 1.523 8.251 ( -1.318 -0.665 0.000) 1.477 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -0.517 -0.204 -0.109) 0.566 3.200 ( -9.844 -8.831 -1.073) 13.268 3.507 ( 0.835 5.252 1.654) 5.569 4.571 ( -12.200 0.731 2.600) 12.496 4.725 ( 1.916 -0.908 0.731) 2.243 4.984 ( 8.145 -1.284 -3.700) 9.038 6.560 ( -5.988 2.286 3.574) 7.339 6.796 ( 3.575 -0.160 -5.835) 6.845 6.884 ( 2.161 -1.756 1.555) 3.189 7.376 ( -2.406 -6.861 1.186) 7.367 7.417 ( -2.138 0.078 -1.095) 2.403 8.294 ( 3.470 4.883 0.325) 5.999 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -1.652 0.122 -0.742) 1.815 2.914 ( -12.647 -8.334 -1.196) 15.193 3.567 ( -0.487 5.016 2.811) 5.770 4.378 ( -11.534 -1.391 3.165) 12.041 4.768 ( 3.783 -0.854 2.031) 4.378 5.027 ( 0.577 -1.124 -5.756) 5.893 6.474 ( -7.476 1.240 4.038) 8.587 6.783 ( -3.537 1.636 -2.754) 4.772 6.896 ( 0.591 -4.758 -2.345) 5.338 7.295 ( 4.085 -7.517 0.471) 8.568 7.379 ( -0.875 -1.498 -1.314) 2.176 8.431 ( 4.066 7.607 0.245) 8.629 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -3.373 1.239 -2.251) 4.240 2.612 ( -13.687 -5.577 -1.177) 14.827 3.605 ( -2.883 6.209 2.125) 7.168 4.158 ( -11.973 -3.838 1.022) 12.614 4.857 ( 6.415 -1.343 4.101) 7.732 4.968 ( -4.616 1.460 -3.772) 6.137 6.356 ( -7.305 -2.046 3.949) 8.552 6.691 ( -7.152 0.848 -0.372) 7.212 6.826 ( -2.730 -1.651 -2.172) 3.860 7.340 ( 2.478 -1.361 -6.569) 7.151 7.389 ( 9.938 -6.879 2.958) 12.443 8.556 ( 1.733 6.923 -1.569) 7.307 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -0.000 0.775 -5.265) 5.321 2.402 ( 0.000 7.078 -1.345) 7.205 3.367 ( 0.000 1.753 -0.410) 1.801 3.844 ( 0.000 2.921 0.327) 2.940 4.715 ( -0.000 -4.518 1.489) 4.757 5.464 ( 0.000 12.920 3.575) 13.406 6.311 ( 0.000 8.525 4.740) 9.754 6.519 ( 0.000 3.985 3.115) 5.057 6.709 ( -0.000 -0.469 -3.950) 3.978 7.046 ( -0.000 -3.284 -5.240) 6.184 7.665 ( -0.000 -3.895 -0.730) 3.963 8.683 ( -0.000 -2.883 -3.068) 4.210 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 1.418 0.913 -2.753) 3.229 2.554 ( 10.654 5.111 -1.270) 11.885 3.393 ( 1.900 -0.023 1.703) 2.552 3.909 ( 4.548 2.005 0.211) 4.975 4.682 ( 0.143 -3.123 1.154) 3.332 5.538 ( -4.931 8.668 0.687) 9.996 6.438 ( 3.644 4.941 3.893) 7.270 6.577 ( 1.249 5.463 1.416) 5.780 6.730 ( 4.432 -0.916 -1.870) 4.897 6.991 ( -0.920 -2.640 -4.220) 5.062 7.618 ( -1.374 -2.633 -1.272) 3.230 8.620 ( -3.453 -1.616 -1.244) 4.010 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 2.851 1.277 -0.453) 3.157 2.829 ( 15.761 3.755 -1.493) 16.271 3.438 ( 2.920 -1.409 3.006) 4.421 4.041 ( 9.158 0.944 0.742) 9.237 4.667 ( 0.473 -1.514 0.767) 1.762 5.470 ( -9.873 3.957 -1.890) 10.803 6.509 ( 1.348 0.635 0.694) 1.644 6.687 ( 1.860 5.150 1.556) 5.692 6.840 ( 11.280 -1.635 0.305) 11.401 6.947 ( -0.889 0.114 -2.479) 2.636 7.561 ( -2.321 -1.238 -1.475) 3.016 8.531 ( -5.527 -0.493 0.248) 5.554 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 2.611 0.631 0.471) 2.727 3.114 ( 14.168 1.078 -1.858) 14.330 3.470 ( 1.536 -2.194 1.956) 3.316 4.247 ( 13.935 -0.514 1.544) 14.030 4.672 ( 0.709 -0.048 0.505) 0.871 5.285 ( -13.151 1.038 -2.007) 13.343 6.536 ( 2.501 -0.544 -1.721) 3.085 6.708 ( -1.462 -0.707 2.919) 3.340 6.946 ( -0.551 1.894 -0.297) 1.994 7.073 ( 14.367 0.835 0.588) 14.404 7.510 ( -2.334 0.229 -1.225) 2.646 8.422 ( -6.762 -0.367 0.278) 6.778 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 1.600 -0.429 0.595) 1.760 3.274 ( 6.955 -7.911 -0.253) 10.537 3.475 ( 0.408 2.484 -1.335) 2.850 4.488 ( 14.924 -4.200 -0.148) 15.504 4.699 ( 1.453 2.123 0.363) 2.598 5.056 ( -13.518 0.800 0.993) 13.578 6.581 ( 5.073 -1.828 -3.125) 6.232 6.684 ( -1.700 0.035 3.970) 4.319 6.936 ( -2.426 0.806 0.608) 2.628 7.301 ( 10.505 -0.957 1.320) 10.631 7.472 ( -2.535 0.132 -0.664) 2.623 8.313 ( -5.140 1.005 -0.756) 5.292 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.661 -1.026 0.508) 1.322 3.190 ( -2.471 -13.172 -0.111) 13.403 3.538 ( 2.002 4.734 -1.331) 5.309 4.611 ( 6.790 -8.598 -1.021) 11.003 4.746 ( -2.308 1.777 -1.105) 3.115 4.908 ( -3.295 3.677 3.127) 5.845 6.639 ( 4.393 -4.435 -1.019) 6.326 6.690 ( 0.060 3.828 1.464) 4.099 6.892 ( -2.434 -0.543 0.603) 2.566 7.370 ( -1.858 -6.609 2.103) 7.180 7.414 ( -0.783 -1.180 -0.978) 1.721 8.307 ( 1.442 5.853 -0.859) 6.089 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -0.090 -0.749 0.205) 0.782 2.975 ( -6.922 -12.391 -0.458) 14.200 3.612 ( 1.643 4.271 0.445) 4.597 4.530 ( -6.010 -8.005 2.380) 10.289 4.712 ( 0.204 0.886 0.095) 0.914 4.970 ( 3.039 1.912 -2.436) 4.339 6.598 ( -4.405 -3.533 2.066) 6.012 6.763 ( 3.706 1.788 -2.451) 4.789 6.872 ( 0.249 -0.047 0.434) 0.503 7.210 ( -4.769 -8.541 0.905) 9.824 7.379 ( -1.432 -2.841 -0.644) 3.246 8.442 ( 4.683 8.477 0.043) 9.684 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -1.050 0.178 -0.808) 1.337 2.728 ( -8.768 -9.154 -0.557) 12.687 3.684 ( 0.951 5.361 1.081) 5.551 4.320 ( -10.543 -6.496 1.397) 12.462 4.753 ( 4.292 -1.310 1.320) 4.677 5.003 ( 0.070 1.535 -2.369) 2.824 6.450 ( -6.781 -6.685 1.852) 9.701 6.808 ( -1.013 2.554 -2.229) 3.538 6.852 ( -4.073 1.985 1.047) 4.650 7.144 ( 6.856 -6.985 -1.006) 9.839 7.316 ( -1.416 -3.521 -0.997) 3.924 8.594 ( 2.885 7.772 -0.096) 8.291 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -0.000 0.999 -0.854) 1.315 2.492 ( 0.000 2.711 -0.531) 2.763 3.381 ( 0.000 -0.474 2.652) 2.694 3.886 ( 0.000 1.036 0.132) 1.045 4.660 ( 0.000 -1.790 1.102) 2.102 5.646 ( 0.000 4.098 -1.509) 4.367 6.448 ( 0.000 1.902 0.531) 1.974 6.610 ( 0.000 1.790 3.063) 3.547 6.686 ( -0.000 0.924 -0.459) 1.032 6.972 ( -0.000 -0.430 -2.711) 2.745 7.607 ( -0.000 -1.019 -1.871) 2.131 8.635 ( -0.000 -0.723 -0.003) 0.723 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 1.710 1.653 1.352) 2.736 2.605 ( 10.928 0.642 -0.353) 10.952 3.401 ( 1.488 -0.576 3.538) 3.881 3.931 ( 4.626 -0.061 0.319) 4.638 4.655 ( 0.272 -0.353 0.922) 1.024 5.607 ( -5.083 -0.849 -3.734) 6.364 6.466 ( 2.438 -2.461 -2.326) 4.172 6.665 ( 5.804 -1.785 1.488) 6.252 6.716 ( 0.805 2.242 2.638) 3.554 6.971 ( -0.691 2.878 -0.209) 2.967 7.584 ( -1.471 0.421 -2.101) 2.599 8.609 ( -3.204 0.558 1.086) 3.429 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 2.096 0.694 1.933) 2.934 2.835 ( 15.547 -2.498 -1.008) 15.779 3.433 ( 1.653 -0.837 2.533) 3.138 4.048 ( 9.266 -0.983 1.425) 9.426 4.668 ( 0.568 1.038 0.791) 1.423 5.448 ( -8.418 -4.169 -3.948) 10.189 6.466 ( 2.465 -3.867 -2.860) 5.404 6.700 ( 2.145 -5.300 2.430) 6.213 6.847 ( 9.887 2.485 0.695) 10.218 7.003 ( -0.533 4.609 2.952) 5.500 7.555 ( -2.283 1.752 -2.021) 3.517 8.539 ( -6.234 0.954 0.990) 6.384 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 1.768 -0.982 1.609) 2.584 3.022 ( 11.903 -8.979 -1.133) 14.953 3.461 ( 1.921 0.446 -0.571) 2.053 4.223 ( 11.948 -2.950 1.321) 12.377 4.702 ( 1.086 2.657 0.726) 2.961 5.237 ( -9.273 -4.816 -1.196) 10.517 6.465 ( 3.591 -4.293 -3.338) 6.517 6.691 ( 1.207 -3.427 3.340) 4.935 6.982 ( 0.900 0.399 1.348) 1.669 7.113 ( 9.203 2.467 3.580) 10.178 7.526 ( -2.871 2.328 -1.815) 4.118 8.430 ( -7.314 1.271 -0.129) 7.425 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 1.449 -2.055 1.291) 2.827 3.035 ( 4.135 -14.729 -0.233) 15.300 3.516 ( 3.506 2.031 -2.694) 4.866 4.369 ( 9.964 -7.087 -0.958) 12.265 4.762 ( 1.513 4.161 -0.526) 4.458 5.051 ( -7.589 -3.049 3.203) 8.784 6.487 ( 5.370 -4.452 -3.911) 7.997 6.704 ( 2.043 -1.806 3.924) 4.778 6.955 ( -3.830 -0.490 2.218) 4.453 7.277 ( 6.325 -2.150 3.928) 7.750 7.474 ( -5.144 1.505 -2.104) 5.758 8.357 ( -2.428 3.957 -0.941) 4.737 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 1.275 -1.886 1.217) 2.581 2.906 ( -1.009 -15.213 0.339) 15.251 3.593 ( 3.967 2.199 -2.136) 5.014 4.403 ( 5.120 -11.216 -1.606) 12.433 4.791 ( -3.082 3.775 -2.449) 5.454 4.972 ( -0.946 0.044 4.666) 4.761 6.517 ( 4.512 -5.878 -4.099) 8.469 6.749 ( 3.020 -0.880 3.651) 4.819 6.877 ( -3.436 -2.395 1.682) 4.513 7.279 ( -5.423 -2.080 3.404) 6.732 7.383 ( -3.636 -0.757 -1.675) 4.074 8.434 ( 4.522 6.771 -0.355) 8.150 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.000 2.646 3.533) 4.414 2.502 ( -0.000 -1.720 0.430) 1.773 3.401 ( 0.000 0.060 4.712) 4.713 3.884 ( -0.000 -1.266 -0.111) 1.271 4.658 ( 0.000 0.928 0.933) 1.316 5.598 ( -0.000 -6.153 -5.991) 8.588 6.386 ( -0.000 -5.309 -4.540) 6.985 6.593 ( -0.000 -4.629 1.315) 4.812 6.741 ( 0.000 1.958 3.910) 4.373 7.021 ( 0.000 5.151 2.034) 5.537 7.601 ( -0.000 1.850 -2.396) 3.027 8.656 ( 0.000 2.156 1.966) 2.918 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 0.010 1.210 3.767) 3.957 2.570 ( 10.289 -4.346 0.203) 11.171 3.421 ( 0.363 -0.361 4.490) 4.519 3.913 ( 5.310 -1.929 0.673) 5.689 4.680 ( 0.297 2.307 0.937) 2.508 5.460 ( -3.566 -10.080 -6.722) 12.630 6.347 ( 3.771 -6.423 -4.327) 8.614 6.572 ( 3.442 -6.303 1.086) 7.263 6.787 ( 2.415 1.327 3.098) 4.146 7.081 ( -0.657 5.794 4.331) 7.264 7.604 ( -1.439 3.140 -2.478) 4.250 8.655 ( -4.144 2.943 1.914) 5.432 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 0.453 -1.598 2.794) 3.251 2.711 ( 12.525 -9.400 -1.056) 15.695 3.433 ( 0.851 -1.187 1.925) 2.417 4.024 ( 9.021 -2.609 1.928) 9.587 4.721 ( 0.707 3.655 1.079) 3.876 5.261 ( -4.244 -11.295 -4.848) 13.003 6.342 ( 4.030 -5.875 -3.917) 8.130 6.590 ( 5.026 -6.481 2.477) 8.567 6.876 ( 6.287 -0.671 1.127) 6.423 7.142 ( -0.715 5.608 6.180) 8.376 7.598 ( -2.513 4.164 -2.652) 5.540 8.584 ( -7.839 2.820 1.115) 8.405 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 1.278 -3.525 2.035) 4.266 2.770 ( 8.738 -15.172 -1.335) 17.559 3.454 ( 3.086 -1.191 -0.796) 3.402 4.150 ( 8.626 -5.226 1.028) 10.138 4.784 ( 1.321 4.750 0.789) 4.993 5.082 ( -2.925 -9.559 -1.361) 10.089 6.346 ( 4.369 -4.859 -4.096) 7.711 6.624 ( 4.391 -5.129 3.524) 7.616 6.948 ( 3.202 -4.617 1.087) 5.723 7.226 ( 2.112 4.704 6.604) 8.379 7.578 ( -4.087 4.705 -3.212) 7.011 8.476 ( -7.372 3.323 0.658) 8.113 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 2.359 -3.702 2.022) 4.833 2.715 ( 4.546 -17.042 -0.096) 17.638 3.511 ( 5.263 -0.898 -2.058) 5.722 4.201 ( 5.516 -9.343 -0.394) 10.857 4.853 ( 0.223 5.680 -1.845) 5.976 4.973 ( -0.385 -6.643 2.272) 7.031 6.365 ( 4.829 -4.864 -4.514) 8.207 6.662 ( 4.204 -4.462 3.056) 6.850 6.900 ( -1.980 -6.458 1.914) 7.021 7.317 ( 0.863 2.291 6.462) 6.910 7.515 ( -7.755 4.828 -3.709) 9.859 8.448 ( -0.265 4.988 1.199) 5.137 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.000 0.212 4.322) 4.327 2.422 ( -0.000 -6.894 0.531) 6.914 3.435 ( 0.000 -0.984 6.201) 6.278 3.841 ( -0.000 -2.803 0.080) 2.804 4.710 ( 0.000 3.553 1.046) 3.704 5.339 ( -0.000 -14.439 -8.320) 16.665 6.221 ( -0.000 -7.872 -3.820) 8.750 6.491 ( -0.000 -5.199 0.441) 5.218 6.783 ( 0.000 -0.359 3.011) 3.033 7.160 ( 0.000 5.401 5.532) 7.731 7.646 ( -0.000 4.357 -2.519) 5.033 8.737 ( 0.000 4.386 1.958) 4.803 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -1.494 -3.565 3.042) 4.919 2.426 ( 8.491 -10.445 -0.443) 13.468 3.425 ( -0.936 -3.243 4.851) 5.909 3.870 ( 6.181 -2.924 1.263) 6.954 4.753 ( 0.410 3.266 1.360) 3.561 5.148 ( -1.163 -14.821 -7.597) 16.695 6.179 ( 5.020 -7.739 -2.813) 9.644 6.469 ( 2.626 -4.090 0.992) 4.961 6.801 ( 2.292 -1.424 1.554) 3.114 7.225 ( -0.370 4.255 6.651) 7.904 7.673 ( -1.561 5.536 -2.579) 6.303 8.743 ( -5.309 4.642 1.324) 7.176 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.245 -6.271 2.019) 6.593 2.451 ( 9.370 -15.659 -1.887) 18.346 3.390 ( 1.009 -5.282 2.350) 5.868 3.970 ( 7.727 -4.054 1.660) 8.882 4.785 ( 2.293 -3.438 1.552) 4.415 4.996 ( -0.757 -6.233 -5.257) 8.189 6.198 ( 5.742 -6.073 -2.592) 8.751 6.503 ( 4.631 -3.574 2.477) 6.353 6.836 ( 3.759 -3.661 0.109) 5.248 7.282 ( 0.242 3.448 7.114) 7.909 7.683 ( -3.079 6.492 -3.060) 7.810 8.665 ( -8.950 4.497 1.331) 10.104 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 2.843 -7.071 1.994) 7.877 2.425 ( 8.210 -18.218 -1.322) 20.026 3.389 ( 4.890 -5.741 0.813) 7.585 4.032 ( 4.948 -7.136 0.824) 8.722 4.781 ( 6.562 -11.410 0.857) 13.190 4.965 ( -2.030 5.488 -3.652) 6.898 6.227 ( 4.687 -4.569 -3.227) 7.298 6.556 ( 4.214 -3.495 2.738) 6.121 6.832 ( 1.481 -7.039 0.314) 7.200 7.353 ( 1.305 3.063 6.231) 7.065 7.671 ( -5.074 7.131 -3.798) 9.541 8.570 ( -7.137 4.877 3.120) 9.190 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -0.000 -7.559 1.730) 7.754 2.229 ( -0.000 -12.792 -0.563) 12.805 3.409 ( 0.000 -6.962 5.863) 9.102 3.783 ( -0.000 -3.106 0.647) 3.172 4.745 ( -0.000 -7.442 -0.219) 7.445 5.016 ( -0.000 -5.219 -5.968) 7.929 6.043 ( -0.000 -8.149 -0.892) 8.198 6.426 ( 0.000 -1.142 0.579) 1.280 6.770 ( -0.000 -2.011 0.713) 2.134 7.281 ( 0.000 2.011 6.860) 7.149 7.740 ( 0.000 6.893 -2.153) 7.221 8.845 ( 0.000 5.470 0.476) 5.491 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -0.450 -10.915 0.635) 10.943 2.147 ( 6.095 -16.793 -2.044) 17.981 3.320 ( -0.654 -11.552 3.831) 12.188 3.816 ( 6.131 -3.406 1.116) 7.102 4.614 ( 2.285 -18.209 -2.261) 18.490 5.017 ( -1.005 7.018 -1.944) 7.352 6.020 ( 5.875 -7.177 0.454) 9.286 6.443 ( 1.528 0.831 1.231) 2.131 6.760 ( 1.381 -2.725 -0.687) 3.131 7.317 ( 0.508 0.110 6.835) 6.855 7.791 ( -1.965 7.939 -2.075) 8.438 8.849 ( -5.767 5.491 0.090) 7.963 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 2.673 -12.615 0.476) 12.904 2.086 ( 8.597 -19.043 -2.306) 21.021 3.227 ( 4.051 -13.700 2.812) 14.560 3.887 ( 5.515 -5.089 0.712) 7.538 4.504 ( 6.998 -17.346 -1.830) 18.793 5.068 ( -2.125 9.013 -1.893) 9.452 6.076 ( 6.768 -5.391 0.137) 8.654 6.492 ( 2.155 0.980 1.974) 3.083 6.746 ( 1.135 -4.577 -1.376) 4.912 7.357 ( 2.113 -0.359 5.501) 5.903 7.814 ( -3.932 8.340 -2.346) 9.515 8.776 ( -8.686 5.486 1.996) 10.465 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -0.000 -18.296 -2.325) 18.444 1.915 ( -0.000 -16.192 -1.474) 16.259 3.179 ( -0.000 -20.382 1.896) 20.470 3.731 ( -0.000 -2.709 1.034) 2.899 4.399 ( -0.000 -18.578 -2.143) 18.701 5.111 ( 0.000 9.669 0.148) 9.670 5.899 ( -0.000 -6.832 2.776) 7.375 6.462 ( 0.000 3.962 1.273) 4.162 6.723 ( -0.000 -2.149 -1.741) 2.766 7.321 ( 0.000 -2.559 6.885) 7.345 7.886 ( 0.000 8.822 -1.615) 8.969 8.954 ( 0.000 5.735 -1.429) 5.910 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 2.419 -20.928 -3.245) 21.315 1.770 ( 5.117 -17.936 -1.766) 18.735 2.974 ( 3.963 -25.570 0.729) 25.886 3.755 ( 4.653 -3.247 0.605) 5.706 4.244 ( 2.756 -15.933 -1.054) 16.204 5.193 ( -1.863 9.512 0.007) 9.693 5.908 ( 6.260 -5.533 3.558) 9.081 6.514 ( -0.024 4.933 1.630) 5.196 6.696 ( 0.049 -2.322 -2.599) 3.485 7.323 ( 1.483 -3.565 6.182) 7.289 7.949 ( -2.386 8.931 -1.604) 9.382 8.957 ( -5.240 5.607 -0.896) 7.726 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.000 -22.249 -3.861) 22.582 1.514 ( -0.000 -22.073 -3.701) 22.381 2.621 ( -0.000 -35.077 -1.693) 35.118 3.690 ( -0.000 -2.146 0.970) 2.355 4.080 ( -0.000 -13.042 -0.133) 13.043 5.306 ( 0.000 8.883 1.363) 8.987 5.811 ( 0.000 -5.064 5.329) 7.351 6.580 ( 0.000 6.069 1.655) 6.290 6.672 ( -0.000 -1.043 -3.300) 3.461 7.289 ( 0.000 -4.696 6.796) 8.261 8.053 ( 0.000 8.821 -1.462) 8.942 9.050 ( -0.000 5.379 -2.726) 6.030 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 0.000 -0.000 22.284) 22.284 0.474 ( 0.000 -0.000 22.284) 22.284 0.768 ( 0.000 -0.000 36.493) 36.493 3.621 ( -0.000 0.000 -0.952) 0.952 3.621 ( -0.000 0.000 -0.952) 0.952 5.651 ( -0.000 0.000 -3.870) 3.870 5.651 ( -0.000 0.000 -3.870) 3.870 6.238 ( -0.000 0.000 -10.069) 10.069 6.688 ( 0.000 -0.000 2.756) 2.756 6.688 ( 0.000 -0.000 2.756) 2.756 8.422 ( 0.000 -0.000 6.007) 6.007 9.117 ( -0.000 0.000 -1.657) 1.657 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 12.558 7.250 14.951) 20.828 0.723 ( 11.020 6.362 18.904) 22.787 1.260 ( 27.299 15.761 19.047) 36.830 3.630 ( 0.921 0.532 -0.952) 1.428 3.681 ( 5.415 3.126 -1.141) 6.356 5.595 ( -1.827 -1.055 -1.124) 2.390 5.713 ( 4.367 2.521 -2.723) 5.731 6.608 ( 14.809 8.550 -17.107) 24.188 6.660 ( -2.088 -1.206 2.281) 3.319 6.786 ( 7.440 4.295 -10.632) 13.669 8.396 ( -4.020 -2.321 6.153) 7.707 9.101 ( -2.537 -1.465 -4.010) 4.966 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 16.704 9.644 7.755) 20.788 1.068 ( 14.280 8.245 9.987) 19.278 1.949 ( 27.990 16.160 4.766) 32.670 3.656 ( 1.679 0.969 -0.876) 2.127 3.870 ( 11.064 6.388 2.213) 12.966 5.531 ( -3.579 -2.066 0.193) 4.137 5.827 ( 6.140 3.545 -1.489) 7.245 6.613 ( -2.420 -1.397 1.539) 3.190 6.713 ( -1.658 -0.957 1.359) 2.348 6.974 ( 13.793 7.964 -18.250) 24.223 8.288 ( -6.893 -3.980 5.624) 9.746 8.960 ( -8.049 -4.647 -6.627) 11.414 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 14.482 8.361 1.954) 16.836 1.471 ( 16.880 9.746 3.390) 19.784 2.539 ( 23.539 13.590 -3.377) 27.389 3.700 ( 2.357 1.361 -0.686) 2.806 4.187 ( 14.764 8.524 6.022) 18.080 5.438 ( -4.774 -2.756 1.799) 5.799 5.975 ( 6.751 3.898 0.167) 7.797 6.571 ( -1.299 -0.750 0.208) 1.515 6.638 ( -4.074 -2.352 1.001) 4.809 7.227 ( 11.048 6.378 -9.075) 15.656 8.137 ( -7.604 -4.390 5.906) 10.582 8.710 ( -10.396 -6.002 -10.695) 16.077 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 12.416 7.168 -3.311) 14.714 1.844 ( 14.879 8.590 0.730) 17.196 3.011 ( 19.381 11.190 -5.253) 22.988 3.757 ( 2.719 1.570 -0.421) 3.168 4.539 ( 13.296 7.676 6.032) 16.495 5.329 ( -5.572 -3.217 3.991) 7.572 6.121 ( 5.320 3.072 2.627) 6.681 6.569 ( 0.857 0.495 -1.136) 1.506 6.569 ( -1.026 -0.592 0.817) 1.439 7.358 ( 2.097 1.211 -7.038) 7.443 7.974 ( -9.730 -5.617 6.305) 12.883 8.487 ( -3.472 -2.004 -11.656) 12.326 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 8.960 5.173 -5.222) 11.590 2.146 ( 11.521 6.652 -0.562) 13.315 3.397 ( 15.989 9.231 -4.837) 19.085 3.817 ( 2.503 1.445 -0.179) 2.896 4.798 ( 7.459 4.306 2.938) 9.100 5.214 ( -5.853 -3.379 6.436) 9.333 6.222 ( 2.345 1.354 4.617) 5.352 6.578 ( 2.242 1.294 1.455) 2.969 6.638 ( 5.036 2.908 -3.806) 6.950 7.302 ( -3.525 -2.035 -7.384) 8.431 7.705 ( -13.925 -8.039 1.878) 16.188 8.506 ( 5.755 3.323 -4.906) 8.260 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 5.520 3.187 -4.566) 7.840 2.362 ( 7.499 4.330 -0.747) 8.692 3.697 ( 11.612 6.704 -6.862) 15.063 3.865 ( 1.681 0.970 -0.022) 1.941 4.871 ( -1.663 -0.960 -1.474) 2.421 5.141 ( -1.971 -1.138 10.587) 10.829 6.265 ( 0.279 0.161 4.538) 4.549 6.677 ( 6.024 3.478 0.164) 6.958 6.751 ( 5.363 3.096 -3.674) 7.200 7.186 ( -4.621 -2.668 -8.050) 9.658 7.419 ( -10.435 -6.025 3.743) 12.617 8.635 ( 5.545 3.201 -2.082) 6.733 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 3.219 1.859 -2.785) 4.645 2.482 ( 3.145 1.816 -0.260) 3.641 3.856 ( 4.601 2.656 -11.624) 12.781 3.890 ( 0.466 0.269 0.003) 0.539 4.777 ( -3.858 -2.227 -1.746) 4.785 5.171 ( -0.204 -0.118 12.443) 12.445 6.268 ( -1.199 -0.692 3.409) 3.679 6.839 ( 3.049 1.760 -2.674) 4.421 6.847 ( 8.736 5.044 -0.269) 10.091 6.998 ( -8.795 -5.078 -8.182) 13.042 7.317 ( -0.772 -0.446 7.369) 7.423 8.721 ( 2.404 1.388 -1.847) 3.334 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 1.618 0.934 -0.715) 2.001 2.501 ( -1.536 -0.887 0.465) 1.834 3.829 ( -2.718 -1.569 -12.715) 13.096 3.885 ( -0.844 -0.487 -0.178) 0.990 4.738 ( 1.108 0.640 -2.131) 2.486 5.174 ( -3.674 -2.121 11.464) 12.224 6.233 ( -2.690 -1.553 1.860) 3.620 6.764 ( -8.859 -5.115 -5.125) 11.441 6.866 ( -0.080 -0.046 -1.440) 1.443 7.073 ( 10.448 6.032 -1.536) 12.162 7.380 ( 3.512 2.028 7.579) 8.596 8.739 ( 0.023 0.014 -1.130) 1.130 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -1.646 -0.950 1.181) 2.238 2.412 ( -6.625 -3.825 1.127) 7.732 3.686 ( -6.190 -3.574 -7.863) 10.626 3.852 ( -1.901 -1.097 -0.527) 2.257 4.795 ( 4.218 2.435 -4.370) 6.544 5.062 ( -9.021 -5.208 7.999) 13.134 6.159 ( -3.950 -2.280 -0.037) 4.561 6.571 ( -6.374 -3.680 -4.008) 8.380 6.831 ( -2.540 -1.466 -0.039) 2.933 7.286 ( 8.062 4.654 -2.439) 9.623 7.515 ( 6.164 3.559 5.675) 9.103 8.739 ( 0.502 0.290 1.815) 1.905 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -7.926 -4.576 2.224) 9.419 2.205 ( -11.873 -6.855 1.646) 13.809 3.495 ( -9.673 -5.585 -1.926) 11.335 3.800 ( -2.401 -1.386 -0.844) 2.898 4.741 ( -13.127 -7.579 0.436) 15.164 4.968 ( 5.010 2.893 -1.980) 6.115 6.056 ( -4.700 -2.713 -2.177) 5.847 6.464 ( -1.622 -0.936 -2.885) 3.440 6.762 ( -3.368 -1.944 1.437) 4.146 7.399 ( 2.625 1.516 -4.191) 5.172 7.689 ( 7.577 4.374 2.520) 9.105 8.795 ( 3.427 1.978 5.319) 6.629 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -16.423 -9.482 2.326) 19.106 1.894 ( -14.683 -8.477 2.691) 17.167 3.183 ( -18.790 -10.849 1.120) 21.726 3.742 ( -2.316 -1.337 -0.977) 2.847 4.388 ( -15.563 -8.985 -0.006) 17.971 5.127 ( 8.360 4.827 -2.921) 10.086 5.935 ( -4.911 -2.835 -4.138) 7.020 6.479 ( 3.361 1.940 -2.020) 4.375 6.700 ( -2.484 -1.434 2.668) 3.917 7.385 ( -2.057 -1.188 -5.535) 6.023 7.871 ( 7.844 4.529 1.161) 9.132 8.918 ( 5.282 3.050 5.508) 8.218 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.000 17.162 16.219) 23.614 0.815 ( 0.000 15.270 15.678) 21.885 1.299 ( 0.000 26.948 21.677) 34.585 3.617 ( -0.000 0.604 -1.254) 1.392 3.687 ( 0.000 6.617 -1.378) 6.759 5.594 ( -0.000 -4.714 0.266) 4.721 5.598 ( -0.000 0.352 -5.035) 5.047 6.572 ( -0.000 21.181 -20.848) 29.720 6.721 ( -0.000 3.446 -4.961) 6.040 6.722 ( 0.000 0.157 3.270) 3.274 8.416 ( 0.000 -5.006 6.606) 8.288 9.118 ( -0.000 0.530 -4.337) 4.370 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 4.489 16.611 12.718) 21.397 1.074 ( 5.720 17.260 11.536) 21.534 1.793 ( 15.865 26.803 8.446) 32.271 3.643 ( 1.832 1.649 -1.054) 2.681 3.799 ( 5.326 8.518 0.665) 10.068 5.531 ( -1.101 -4.920 -0.260) 5.048 5.694 ( 9.298 0.554 -3.629) 9.997 6.653 ( -2.288 -0.984 1.194) 2.762 6.727 ( 0.043 1.124 1.782) 2.107 6.817 ( 7.890 13.126 -20.034) 25.217 8.345 ( -3.625 -7.009 6.110) 9.980 9.040 ( -6.601 -1.955 -5.667) 8.917 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 7.471 14.043 8.408) 17.992 1.406 ( 9.413 17.522 4.669) 20.431 2.340 ( 17.861 21.607 -1.930) 28.100 3.694 ( 1.465 3.383 -1.005) 3.821 4.054 ( 12.473 9.461 4.750) 16.360 5.452 ( -1.906 -5.876 0.789) 6.228 5.867 ( 9.621 3.027 -2.288) 10.342 6.596 ( -2.436 -2.104 0.874) 3.335 6.687 ( -3.237 -1.331 1.166) 3.690 7.066 ( 11.615 9.936 -11.634) 19.209 8.210 ( -5.423 -7.641 5.758) 10.998 8.825 ( -11.753 -3.795 -8.404) 14.939 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 8.355 11.527 0.646) 14.251 1.757 ( 10.359 15.940 2.495) 19.173 2.813 ( 16.952 16.594 -5.191) 24.283 3.754 ( 1.379 4.552 -0.889) 4.839 4.403 ( 14.163 8.721 5.978) 17.674 5.358 ( -2.561 -6.519 2.527) 7.446 6.056 ( 8.007 4.923 -0.255) 9.403 6.545 ( -0.760 -2.398 0.041) 2.516 6.632 ( -3.227 1.747 1.160) 3.848 7.272 ( 7.084 3.169 -7.909) 11.080 8.065 ( -5.599 -7.424 6.916) 11.588 8.548 ( -10.844 -2.543 -11.068) 15.702 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 7.659 8.378 -3.460) 11.867 2.077 ( 8.715 14.134 0.888) 16.629 3.216 ( 15.178 12.347 -4.350) 20.043 3.824 ( 1.223 5.727 -0.770) 5.906 4.706 ( 10.184 5.593 3.741) 12.206 5.255 ( -3.006 -6.945 4.484) 8.796 6.222 ( 4.370 5.526 2.688) 7.541 6.537 ( 2.225 -0.980 -0.857) 2.578 6.632 ( -0.440 4.641 -0.261) 4.669 7.296 ( -0.804 -1.969 -7.927) 8.207 7.861 ( -11.962 -8.636 3.704) 15.212 8.433 ( 2.125 1.833 -6.241) 6.843 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 5.761 5.436 -4.240) 8.984 2.332 ( 5.502 12.156 0.078) 13.344 3.531 ( 11.592 6.740 -4.195) 14.050 3.905 ( 0.595 8.189 -1.272) 8.309 4.862 ( 2.475 0.987 -0.036) 2.665 5.164 ( -1.136 -5.994 7.613) 9.756 6.323 ( -0.430 5.763 4.533) 7.345 6.597 ( 5.231 0.985 -1.799) 5.619 6.705 ( 3.149 5.252 -1.712) 6.359 7.203 ( -3.371 -2.540 -7.908) 8.964 7.567 ( -12.597 -6.662 2.390) 14.449 8.536 ( 7.172 1.370 -1.849) 7.532 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 3.756 3.270 -3.389) 6.024 2.502 ( 1.469 10.005 0.115) 10.113 3.698 ( 6.256 -0.526 -5.476) 8.331 3.991 ( -1.279 10.913 -3.999) 11.693 4.811 ( -4.042 -3.167 -2.491) 5.707 5.179 ( 2.787 -2.767 11.670) 12.313 6.356 ( -3.831 5.679 3.949) 7.907 6.716 ( 7.459 1.626 -2.728) 8.107 6.815 ( 4.419 4.740 -0.785) 6.527 7.067 ( -6.905 -3.246 -8.300) 11.274 7.379 ( -5.028 -1.740 5.985) 8.008 8.646 ( 5.494 -1.041 -1.569) 5.808 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 2.420 1.663 -2.040) 3.575 2.578 ( -3.054 7.631 0.665) 8.246 3.715 ( 2.004 -4.909 -7.242) 8.976 4.020 ( -5.179 9.267 -6.021) 12.205 4.729 ( -1.053 -1.266 -1.708) 2.372 5.227 ( 0.053 -2.657 12.283) 12.567 6.333 ( -5.888 4.340 2.550) 7.746 6.819 ( 2.227 -0.374 -3.353) 4.042 6.862 ( -6.678 -3.334 -3.501) 8.244 6.977 ( 7.264 6.983 -1.840) 10.243 7.377 ( 1.321 1.079 6.841) 7.051 8.689 ( 3.043 -3.203 -1.816) 4.777 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.768 -0.421 -0.670) 1.103 2.549 ( -8.033 4.723 1.363) 9.417 3.641 ( -0.671 -6.397 -7.499) 9.880 3.974 ( -6.849 6.651 -3.776) 10.267 4.741 ( 2.770 1.352 -2.734) 4.120 5.182 ( -6.234 -4.294 9.995) 12.539 6.261 ( -7.019 2.306 1.040) 7.461 6.657 ( -8.528 -1.913 -3.892) 9.567 6.851 ( -0.651 -0.016 -0.681) 0.942 7.186 ( 8.865 6.081 -2.537) 11.046 7.465 ( 4.621 1.538 6.254) 7.926 8.694 ( 2.785 -3.862 -0.338) 4.773 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -3.447 -3.400 0.238) 4.848 2.400 ( -13.261 0.762 1.918) 13.420 3.527 ( -3.206 -6.089 -4.541) 8.245 3.903 ( -6.872 4.805 -1.682) 8.552 4.808 ( 2.302 1.653 -3.878) 4.803 5.000 ( -10.279 -5.620 6.315) 13.309 6.153 ( -7.391 1.139 -0.382) 7.488 6.511 ( -5.707 0.281 -2.903) 6.409 6.812 ( -3.348 -0.236 0.515) 3.396 7.343 ( 4.883 3.191 -4.667) 7.471 7.603 ( 7.187 1.947 4.099) 8.499 8.730 ( 5.196 -2.658 2.526) 6.360 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -10.091 -5.797 0.773) 11.663 2.125 ( -17.879 -3.576 2.362) 18.386 3.349 ( -10.408 -6.913 -1.707) 12.611 3.826 ( -6.275 3.499 -0.820) 7.231 4.597 ( -17.550 -7.050 1.171) 18.950 5.013 ( 7.859 2.709 -1.036) 8.377 6.033 ( -7.750 1.544 -1.978) 8.146 6.460 ( -0.382 1.893 -2.133) 2.877 6.748 ( -3.671 -0.631 1.705) 4.096 7.381 ( -0.121 0.337 -5.739) 5.750 7.770 ( 8.461 2.360 1.985) 9.005 8.833 ( 7.431 -1.393 3.296) 8.248 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.000 17.682 9.091) 19.882 1.250 ( 0.000 18.237 11.268) 21.437 1.995 ( 0.000 32.161 6.152) 32.744 3.628 ( -0.000 1.433 -1.297) 1.933 3.861 ( 0.000 11.191 0.941) 11.231 5.483 ( -0.000 -6.734 0.807) 6.782 5.608 ( -0.000 3.900 -3.767) 5.422 6.655 ( -0.000 -3.837 0.072) 3.838 6.738 ( 0.000 -0.488 2.482) 2.530 6.835 ( -0.000 15.773 -16.772) 23.024 8.313 ( 0.000 -9.369 5.582) 10.906 9.064 ( -0.000 -2.286 -6.252) 6.657 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 2.301 17.151 8.984) 19.497 1.483 ( 4.429 17.463 4.998) 18.696 2.373 ( 6.646 28.300 -1.729) 29.121 3.678 ( 3.522 2.538 -1.095) 4.477 4.024 ( 4.794 12.876 3.683) 14.225 5.410 ( -0.704 -7.383 1.335) 7.535 5.727 ( 8.588 5.042 -2.309) 10.223 6.597 ( -1.277 -4.796 0.320) 4.973 6.726 ( -1.529 -0.236 1.373) 2.069 6.984 ( 5.868 11.948 -11.146) 17.362 8.208 ( -2.609 -10.277 4.857) 11.662 8.943 ( -7.957 -3.155 -7.661) 11.487 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 2.614 13.613 2.540) 14.093 1.790 ( 7.805 18.158 4.113) 20.188 2.750 ( 9.962 21.763 -5.547) 24.569 3.768 ( 2.914 4.598 -1.213) 5.577 4.301 ( 10.357 12.027 5.099) 16.670 5.323 ( -1.230 -8.048 2.523) 8.523 5.947 ( 10.308 6.481 -0.776) 12.201 6.532 ( -1.067 -4.038 0.697) 4.234 6.703 ( -2.088 1.840 0.608) 2.849 7.158 ( 6.988 5.235 -7.764) 11.685 8.073 ( -3.126 -9.722 5.291) 11.502 8.701 ( -12.546 -2.527 -9.339) 15.843 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 3.885 10.264 -1.543) 11.082 2.113 ( 7.290 17.855 2.711) 19.475 3.107 ( 11.780 15.767 -4.170) 20.119 3.862 ( 2.108 6.875 -1.178) 7.287 4.602 ( 10.277 8.288 2.911) 13.520 5.228 ( -1.629 -8.481 3.791) 9.431 6.181 ( 8.355 7.550 1.224) 11.327 6.496 ( 0.607 -2.083 -0.115) 2.173 6.704 ( -1.563 4.662 -0.025) 4.917 7.237 ( 2.515 -1.204 -7.587) 8.083 7.937 ( -5.236 -9.526 5.443) 12.156 8.467 ( -7.570 0.625 -7.921) 10.974 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 4.132 7.243 -2.834) 8.807 2.397 ( 4.775 16.880 1.581) 17.613 3.415 ( 10.108 9.500 -2.246) 14.052 3.974 ( 1.897 10.132 -1.458) 10.410 4.810 ( 5.953 3.705 0.250) 7.017 5.127 ( -1.383 -8.891 4.603) 10.107 6.375 ( 4.174 7.205 4.033) 9.252 6.519 ( 3.689 0.679 -2.730) 4.639 6.741 ( -0.544 6.269 -0.436) 6.308 7.191 ( -1.248 -2.793 -7.837) 8.413 7.714 ( -11.054 -7.780 2.388) 13.727 8.438 ( 3.587 0.841 -2.123) 4.252 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 3.220 4.831 -2.646) 6.380 2.614 ( 1.173 15.369 1.223) 15.462 3.601 ( 5.169 2.753 -2.337) 6.306 4.108 ( 0.383 13.261 -3.423) 13.701 4.840 ( -3.374 -1.835 -2.790) 4.747 5.095 ( 5.378 -6.310 8.227) 11.680 6.480 ( -0.498 5.471 3.080) 6.298 6.619 ( 5.560 4.311 -2.640) 7.514 6.801 ( 1.510 4.245 0.203) 4.510 7.109 ( -3.436 -0.720 -7.848) 8.598 7.487 ( -8.403 -3.612 3.547) 9.810 8.521 ( 6.026 -2.215 -0.540) 6.443 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 2.003 2.950 -2.040) 4.108 2.745 ( -3.161 13.421 1.590) 13.880 3.640 ( 0.705 -2.042 -4.027) 4.569 4.187 ( -4.542 12.007 -6.559) 14.416 4.736 ( -2.757 -2.518 -1.853) 4.169 5.185 ( 5.682 -4.246 10.234) 12.452 6.489 ( -4.705 4.076 0.672) 6.262 6.754 ( 5.035 4.863 -1.025) 7.075 6.876 ( 2.996 -0.345 0.744) 3.106 7.004 ( -5.507 4.115 -6.201) 9.258 7.405 ( -1.474 0.184 4.841) 5.064 8.573 ( 4.595 -5.215 -1.174) 7.049 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.810 1.097 -1.422) 1.970 2.774 ( -8.269 10.475 2.234) 13.531 3.580 ( -1.293 -4.399 -5.384) 7.071 4.155 ( -7.560 8.335 -5.803) 12.661 4.710 ( 1.125 0.434 -1.518) 1.938 5.232 ( -0.017 -4.182 9.213) 10.118 6.413 ( -7.119 1.570 0.097) 7.290 6.791 ( -7.786 -0.458 -2.759) 8.274 6.857 ( 0.989 4.723 0.421) 4.844 7.091 ( 7.311 6.016 -2.747) 9.859 7.438 ( 2.126 0.884 4.960) 5.468 8.577 ( 3.945 -6.792 -1.118) 7.934 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -1.448 -1.080 -0.997) 2.063 2.673 ( -13.812 5.501 2.364) 15.054 3.498 ( -1.416 -3.813 -4.034) 5.728 4.077 ( -7.831 5.993 -3.164) 10.356 4.757 ( 3.469 2.121 -2.377) 4.710 5.143 ( -8.247 -5.232 6.415) 11.685 6.295 ( -7.477 0.475 0.497) 7.509 6.644 ( -8.637 1.897 -2.612) 9.221 6.882 ( -3.131 3.508 0.681) 4.751 7.260 ( 6.937 4.027 -5.273) 9.600 7.521 ( 5.047 0.308 4.792) 6.966 8.592 ( 5.969 -6.112 0.368) 8.551 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -5.875 -2.959 -0.838) 6.631 2.430 ( -18.388 0.251 2.150) 18.515 3.413 ( -4.473 -2.855 -2.226) 5.754 3.987 ( -7.754 4.276 -1.463) 8.975 4.803 ( -6.614 -0.388 -1.890) 6.890 4.949 ( -3.014 -2.362 3.946) 5.498 6.181 ( -7.218 1.474 0.811) 7.411 6.529 ( -5.856 2.596 -2.641) 6.929 6.832 ( -5.391 1.242 0.890) 5.603 7.351 ( 2.643 1.856 -6.343) 7.118 7.650 ( 7.849 0.460 3.392) 8.563 8.668 ( 8.553 -4.641 0.697) 9.756 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.000 17.263 3.910) 17.700 1.644 ( 0.000 15.451 5.119) 16.277 2.600 ( 0.000 27.596 -4.573) 27.973 3.657 ( 0.000 2.331 -0.977) 2.528 4.148 ( 0.000 15.966 4.970) 16.722 5.345 ( -0.000 -8.131 2.481) 8.501 5.707 ( 0.000 7.658 -0.792) 7.699 6.556 ( -0.000 -5.361 0.925) 5.441 6.738 ( 0.000 -0.544 0.733) 0.913 7.016 ( -0.000 10.498 -9.089) 13.886 8.135 ( -0.000 -11.337 3.657) 11.912 8.954 ( -0.000 -3.547 -8.200) 8.934 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.134 12.357 0.623) 12.373 1.859 ( 5.909 17.052 2.963) 18.288 2.851 ( 2.666 22.390 -6.571) 23.486 3.727 ( 4.752 3.080 -1.013) 5.753 4.355 ( 2.618 16.866 5.613) 17.967 5.267 ( -0.684 -8.390 3.673) 9.184 5.861 ( 7.596 8.834 0.780) 11.677 6.507 ( -0.506 -4.282 1.687) 4.630 6.733 ( -0.128 0.396 -0.357) 0.548 7.102 ( 2.985 5.716 -6.980) 9.502 8.022 ( -1.337 -10.751 3.239) 11.308 8.822 ( -7.615 -3.066 -8.888) 12.099 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 1.123 9.350 -2.000) 9.627 2.165 ( 8.452 17.084 2.237) 19.192 3.100 ( 6.297 16.655 -4.390) 18.339 3.851 ( 5.510 4.622 -1.227) 7.296 4.585 ( 4.392 13.137 2.752) 14.123 5.184 ( -1.349 -7.691 4.660) 9.093 6.111 ( 9.646 9.355 2.052) 13.593 6.472 ( -0.152 -2.302 1.226) 2.613 6.750 ( 0.672 2.779 -1.144) 3.079 7.158 ( 2.489 -0.242 -6.381) 6.853 7.909 ( -1.623 -9.751 3.790) 10.587 8.608 ( -10.443 -0.836 -8.086) 13.234 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 2.451 7.134 -2.418) 7.922 2.478 ( 7.101 16.982 1.660) 18.482 3.355 ( 8.025 10.623 -1.161) 13.364 4.001 ( 5.596 7.716 -0.930) 9.577 4.761 ( 4.476 6.195 -0.382) 7.652 5.096 ( -2.962 -6.424 3.868) 8.063 6.361 ( 7.355 8.139 4.188) 11.742 6.471 ( 1.626 0.496 -1.548) 2.299 6.802 ( 0.867 5.445 -1.406) 5.690 7.140 ( 0.639 -3.128 -6.615) 7.345 7.777 ( -4.885 -9.000 2.697) 10.590 8.449 ( -4.843 1.077 -3.847) 6.278 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 2.612 5.299 -1.862) 6.195 2.742 ( 3.710 16.368 1.403) 16.842 3.546 ( 5.226 4.368 0.021) 6.812 4.190 ( 4.947 11.940 -1.107) 12.972 4.864 ( 2.258 2.270 -1.776) 3.661 4.978 ( -2.146 -8.267 3.042) 9.067 6.483 ( 2.456 1.046 0.428) 2.704 6.590 ( 5.708 7.733 1.138) 9.679 6.850 ( -1.338 4.191 -1.026) 4.518 7.110 ( 0.770 0.650 -6.399) 6.478 7.595 ( -7.608 -5.677 1.737) 9.650 8.426 ( 1.817 -1.325 -0.153) 2.254 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 1.726 3.645 -1.330) 4.247 2.932 ( -0.513 15.160 1.848) 15.281 3.611 ( 0.544 -0.616 -1.050) 1.334 4.355 ( -1.139 13.754 -4.081) 14.392 4.774 ( -6.326 -2.306 -2.782) 7.286 5.021 ( 9.944 -6.418 6.401) 13.455 6.530 ( 1.524 1.138 -2.219) 2.923 6.755 ( 4.138 6.660 2.689) 8.289 6.836 ( -0.665 -0.773 -0.494) 1.133 7.125 ( -2.609 7.524 -5.202) 9.511 7.459 ( -4.005 -1.668 2.693) 5.107 8.444 ( 3.403 -5.206 0.117) 6.221 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.513 2.061 -1.056) 2.372 3.028 ( -5.891 12.961 2.793) 14.508 3.560 ( -2.414 -3.758 -2.840) 5.293 4.364 ( -8.709 9.946 -5.837) 14.452 4.698 ( -0.170 -0.333 -0.852) 0.931 5.147 ( 7.702 -5.391 6.484) 11.420 6.513 ( -3.731 0.147 -1.265) 3.942 6.817 ( -0.069 -0.249 -2.989) 3.000 6.893 ( 4.440 2.582 3.533) 6.234 7.132 ( -4.286 10.906 -3.132) 12.129 7.439 ( 0.298 0.490 2.774) 2.833 8.435 ( 3.417 -7.668 -0.416) 8.405 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -0.953 0.503 -1.039) 1.497 2.980 ( -13.003 7.190 2.653) 15.094 3.480 ( -1.248 -2.391 -2.210) 3.487 4.269 ( -9.071 6.287 -3.142) 11.475 4.723 ( 2.099 1.761 -1.208) 2.995 5.184 ( 0.059 -5.259 3.889) 6.541 6.418 ( -6.558 -0.116 0.831) 6.611 6.764 ( -4.503 -0.124 -3.206) 5.529 6.979 ( 0.027 3.503 1.650) 3.872 7.196 ( 1.825 7.961 -4.298) 9.229 7.472 ( 2.257 -0.476 3.265) 3.998 8.429 ( 5.037 -6.997 0.003) 8.621 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -3.440 -0.729 -1.359) 3.770 2.755 ( -17.687 0.606 1.540) 17.764 3.450 ( -1.855 0.652 -0.062) 1.967 4.161 ( -8.703 3.834 -1.225) 9.589 4.793 ( 3.908 2.761 -1.077) 4.905 5.066 ( -8.337 -5.202 1.783) 9.988 6.312 ( -6.544 0.811 2.510) 7.055 6.658 ( -6.799 1.300 -3.019) 7.552 6.954 ( -5.837 1.292 -0.064) 5.979 7.292 ( 3.885 3.964 -6.496) 8.544 7.541 ( 5.820 -1.364 4.067) 7.230 8.480 ( 7.389 -4.466 -0.150) 8.635 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 10.061 -2.048) 10.268 1.956 ( 0.000 14.983 0.254) 14.985 3.012 ( 0.000 18.472 -7.095) 19.787 3.708 ( 0.000 3.250 -0.273) 3.262 4.536 ( 0.000 17.895 5.814) 18.815 5.209 ( 0.000 -7.321 5.214) 8.988 5.894 ( 0.000 10.378 2.454) 10.664 6.481 ( 0.000 -3.097 2.751) 4.143 6.727 ( -0.000 -0.347 -1.489) 1.529 7.106 ( -0.000 3.542 -6.079) 7.036 7.937 ( -0.000 -10.096 1.827) 10.260 8.826 ( -0.000 -3.233 -8.874) 9.445 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -0.515 7.248 -4.023) 8.305 2.175 ( 8.017 13.912 -0.447) 16.063 3.169 ( 2.261 13.873 -4.418) 14.734 3.787 ( 4.941 3.506 -0.411) 6.072 4.703 ( -0.449 12.097 3.098) 12.495 5.168 ( -1.124 -2.546 6.250) 6.842 6.073 ( 6.804 10.659 3.533) 13.130 6.466 ( -0.390 -1.161 2.724) 2.987 6.734 ( 1.859 0.507 -2.302) 3.002 7.111 ( 0.584 -0.280 -5.485) 5.523 7.843 ( -0.641 -8.789 1.424) 8.927 8.713 ( -6.091 -2.030 -7.876) 10.161 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 1.487 5.551 -3.372) 6.663 2.478 ( 10.864 13.625 -0.369) 17.430 3.338 ( 5.098 9.071 -0.515) 10.418 3.933 ( 7.821 4.179 -0.464) 8.880 4.773 ( 0.221 2.130 0.776) 2.278 5.154 ( -4.266 3.884 3.989) 7.014 6.325 ( 8.355 9.396 4.418) 13.327 6.465 ( -0.154 1.048 0.533) 1.186 6.793 ( 4.075 2.724 -2.285) 5.408 7.079 ( 0.106 -3.229 -5.078) 6.018 7.747 ( -1.616 -8.058 1.043) 8.284 8.558 ( -7.480 0.050 -4.821) 8.899 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 2.574 4.511 -1.848) 5.512 2.787 ( 9.146 13.548 -0.311) 16.349 3.500 ( 5.321 3.878 1.807) 6.828 4.141 ( 10.601 6.125 0.601) 12.258 4.786 ( 2.478 -3.710 1.134) 4.603 5.090 ( -9.367 4.897 -1.174) 10.635 6.466 ( 0.841 1.476 0.932) 1.938 6.569 ( 6.338 7.862 2.363) 10.372 6.885 ( 1.685 3.590 -2.418) 4.645 7.050 ( 3.276 -1.481 -4.143) 5.486 7.630 ( -3.613 -6.610 0.277) 7.538 8.446 ( -4.497 0.165 -1.002) 4.610 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 2.142 3.371 -0.843) 4.082 3.042 ( 5.092 13.065 0.150) 14.023 3.586 ( 1.927 -0.841 1.395) 2.524 4.403 ( 9.664 9.010 0.867) 13.241 4.809 ( 6.100 -7.395 2.865) 10.005 4.929 ( -12.180 3.605 -4.474) 13.467 6.504 ( 1.745 2.237 -1.879) 3.403 6.731 ( 4.431 2.810 4.743) 7.073 6.870 ( -2.487 0.824 -3.108) 4.065 7.162 ( 5.658 6.736 -2.916) 9.268 7.512 ( -3.969 -3.463 0.486) 5.289 8.385 ( -1.591 -2.831 0.618) 3.305 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 0.906 2.081 -0.485) 2.321 3.215 ( 0.124 11.994 1.407) 12.077 3.555 ( -2.229 -4.738 -0.400) 5.251 4.584 ( -2.433 11.460 -2.495) 11.978 4.727 ( -7.241 -0.717 -1.581) 7.446 4.922 ( 11.758 -6.951 3.227) 14.035 6.545 ( 0.319 2.282 -1.620) 2.817 6.783 ( 1.498 -3.116 0.358) 3.476 6.869 ( 0.993 2.805 0.703) 3.058 7.292 ( -0.308 9.992 -2.047) 10.205 7.449 ( -0.873 -0.820 1.128) 1.646 8.330 ( 0.205 -5.904 0.423) 5.922 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -0.475 0.905 -0.540) 1.156 3.250 ( -9.531 5.677 1.821) 11.242 3.468 ( -0.297 -2.627 -0.551) 2.700 4.502 ( -11.798 6.584 -1.491) 13.593 4.709 ( 1.331 1.664 -0.509) 2.191 5.057 ( 8.827 -6.121 0.915) 10.781 6.526 ( -4.697 1.669 1.505) 5.207 6.780 ( 0.703 -0.380 -4.751) 4.817 6.925 ( 4.084 -1.205 1.939) 4.679 7.330 ( -4.386 8.632 -1.556) 9.807 7.451 ( 0.363 -1.057 1.174) 1.621 8.299 ( 2.920 -4.844 0.538) 5.682 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -2.050 0.166 -0.991) 2.283 3.033 ( -15.156 -3.074 0.169) 15.466 3.490 ( 0.005 3.346 2.208) 4.009 4.361 ( -10.642 3.717 0.649) 11.291 4.759 ( 2.718 2.069 0.212) 3.422 5.079 ( 0.666 -5.580 -2.334) 6.085 6.449 ( -6.792 1.909 3.407) 7.834 6.746 ( -3.351 0.849 -3.954) 5.252 6.974 ( 2.308 -3.131 -1.482) 4.162 7.316 ( -3.409 4.757 -3.711) 6.930 7.450 ( 2.964 -3.963 2.661) 5.619 8.349 ( 5.143 -0.152 0.715) 5.195 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -0.000 4.595 -6.035) 7.585 2.213 ( 0.000 11.413 -1.485) 11.509 3.255 ( 0.000 9.885 -2.728) 10.254 3.779 ( 0.000 3.651 0.365) 3.670 4.790 ( 0.000 1.366 2.506) 2.855 5.231 ( 0.000 8.277 6.249) 10.371 6.133 ( 0.000 10.858 4.601) 11.793 6.480 ( 0.000 0.791 3.698) 3.782 6.703 ( -0.000 -0.364 -3.452) 3.472 7.082 ( -0.000 -1.670 -4.890) 5.167 7.771 ( -0.000 -7.244 -0.119) 7.245 8.718 ( -0.000 -2.169 -6.877) 7.211 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.681 3.480 -4.581) 5.793 2.400 ( 9.626 9.768 -1.789) 13.830 3.349 ( 2.413 5.983 0.447) 6.467 3.856 ( 4.689 3.326 0.277) 5.755 4.771 ( -0.472 -4.029 2.203) 4.617 5.325 ( -3.807 11.675 2.967) 12.633 6.307 ( 5.909 9.525 4.717) 12.161 6.499 ( -1.036 2.550 2.515) 3.729 6.723 ( 3.995 0.367 -2.975) 4.994 7.038 ( -0.537 -3.130 -4.267) 5.319 7.697 ( -0.848 -6.050 -1.037) 6.197 8.641 ( -4.269 -1.053 -4.447) 6.253 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 2.602 3.235 -2.020) 4.617 2.694 ( 13.577 9.036 -1.918) 16.421 3.455 ( 4.219 2.086 3.137) 5.657 4.006 ( 9.185 2.955 0.839) 9.685 4.732 ( 0.197 -4.295 1.808) 4.665 5.324 ( -8.930 9.182 -1.321) 12.876 6.482 ( 1.280 2.406 3.147) 4.163 6.554 ( 4.638 8.024 1.120) 9.335 6.829 ( 7.254 2.307 -1.339) 7.729 6.979 ( -0.311 -3.706 -3.326) 4.989 7.614 ( -1.944 -4.960 -1.622) 5.569 8.538 ( -5.651 0.015 -1.370) 5.814 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 2.839 2.637 -0.463) 3.902 3.000 ( 12.052 8.645 -2.136) 14.985 3.536 ( 3.138 -1.790 3.411) 4.969 4.239 ( 14.013 2.526 2.510) 14.459 4.709 ( 1.033 -3.621 1.290) 3.980 5.196 ( -13.333 6.192 -3.978) 15.230 6.508 ( 0.314 2.332 -0.629) 2.436 6.707 ( 3.299 2.974 4.040) 6.005 6.901 ( -1.168 1.358 -3.154) 3.627 7.047 ( 11.335 1.888 -0.473) 11.501 7.529 ( -2.438 -3.016 -1.505) 4.160 8.439 ( -5.615 -0.731 0.382) 5.675 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 1.806 1.555 0.033) 2.384 3.247 ( 7.948 7.702 -1.563) 11.177 3.533 ( -0.757 -5.266 1.731) 5.595 4.530 ( 15.494 1.785 2.477) 15.792 4.703 ( 2.026 -3.523 0.735) 4.130 4.990 ( -14.865 4.890 -3.135) 15.959 6.548 ( 1.807 2.953 -1.764) 3.886 6.739 ( 0.197 -3.205 3.744) 4.932 6.899 ( -0.944 2.856 -1.543) 3.380 7.273 ( 9.987 4.326 -0.137) 10.885 7.469 ( -1.984 -0.689 -0.760) 2.234 8.332 ( -4.883 -2.566 0.307) 5.524 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.452 0.498 0.000) 0.673 3.414 ( -5.404 0.549 0.139) 5.433 3.415 ( 3.888 -2.222 -0.140) 4.480 4.700 ( 0.366 0.283 0.017) 0.463 4.783 ( -5.653 -2.302 -0.026) 6.104 4.800 ( 6.519 3.339 0.010) 7.324 6.607 ( 0.472 4.200 0.180) 4.230 6.716 ( 1.166 -3.428 -0.343) 3.637 6.896 ( -0.646 0.092 0.182) 0.678 7.422 ( 1.815 2.206 -0.113) 2.859 7.438 ( -0.631 -0.533 0.093) 0.831 8.251 ( -1.010 -1.188 0.000) 1.560 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -0.826 -0.033 -0.335) 0.892 3.192 ( -10.032 -8.973 -0.477) 13.468 3.523 ( 1.958 4.886 1.590) 5.499 4.595 ( -11.758 1.952 2.088) 12.100 4.734 ( 2.115 -0.662 1.069) 2.460 4.944 ( 6.925 -2.293 -3.919) 8.281 6.601 ( -6.263 3.257 4.447) 8.344 6.736 ( 3.769 -0.383 -5.834) 6.956 6.893 ( 1.387 -2.130 0.361) 2.567 7.383 ( -2.851 -6.673 -0.232) 7.261 7.409 ( -2.064 0.257 -0.255) 2.096 8.299 ( 3.908 4.562 0.648) 6.042 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -0.000 2.198 -3.950) 4.520 2.388 ( 0.000 7.380 -1.411) 7.514 3.377 ( 0.000 2.946 2.316) 3.747 3.848 ( 0.000 2.832 0.438) 2.866 4.735 ( 0.000 -5.042 2.498) 5.626 5.484 ( 0.000 11.129 0.388) 11.136 6.357 ( 0.000 7.824 4.000) 8.787 6.557 ( 0.000 3.882 4.206) 5.724 6.671 ( -0.000 -0.041 -3.426) 3.426 6.999 ( -0.000 -3.076 -3.712) 4.821 7.649 ( -0.000 -4.209 -2.442) 4.866 8.653 ( -0.000 -1.053 -2.741) 2.936 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 1.860 2.466 -1.221) 3.322 2.540 ( 10.317 5.551 -1.423) 11.802 3.425 ( 2.165 0.510 4.424) 4.952 3.913 ( 4.694 1.960 0.568) 5.118 4.698 ( -0.028 -3.658 2.100) 4.218 5.528 ( -5.265 7.305 -2.834) 9.440 6.466 ( 3.900 2.772 1.421) 4.991 6.595 ( -0.257 5.631 2.236) 6.064 6.724 ( 5.383 0.746 0.930) 5.513 6.953 ( -0.886 -2.114 -3.203) 3.939 7.595 ( -1.192 -2.686 -3.138) 4.299 8.612 ( -3.205 -0.244 -0.460) 3.247 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 2.831 2.277 0.506) 3.669 2.810 ( 15.216 4.098 -2.195) 15.911 3.480 ( 2.643 -1.821 4.946) 5.896 4.055 ( 9.781 0.945 1.975) 10.023 4.679 ( 0.247 -1.878 1.456) 2.389 5.436 ( -9.811 3.637 -4.874) 11.543 6.509 ( 1.101 -0.847 -0.485) 1.472 6.709 ( 2.671 5.717 2.508) 6.790 6.850 ( 10.169 -2.482 1.844) 10.628 6.925 ( -0.563 2.653 -1.905) 3.314 7.537 ( -1.944 -1.097 -3.040) 3.771 8.537 ( -5.538 -0.012 0.838) 5.601 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 2.339 1.140 0.843) 2.736 3.089 ( 14.150 1.612 -2.904) 14.535 3.496 ( 0.624 -3.631 3.045) 4.779 4.271 ( 13.868 -1.119 3.110) 14.257 4.679 ( 0.491 -0.109 0.851) 0.989 5.255 ( -12.123 2.090 -3.855) 12.891 6.519 ( 2.049 -1.352 -1.563) 2.910 6.743 ( -1.019 -0.922 3.891) 4.127 6.939 ( -0.113 3.417 -1.043) 3.574 7.083 ( 13.649 1.552 1.461) 13.814 7.493 ( -1.765 0.395 -2.191) 2.841 8.426 ( -7.151 -0.665 0.458) 7.196 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 1.324 -0.128 0.623) 1.469 3.266 ( 8.173 -6.676 -1.224) 10.623 3.466 ( -0.702 0.303 -0.352) 0.842 4.490 ( 13.452 -5.495 0.705) 14.548 4.703 ( 1.134 2.016 0.496) 2.366 5.061 ( -11.810 2.767 0.080) 12.130 6.549 ( 4.453 -2.204 -2.878) 5.742 6.731 ( -1.156 -0.086 4.948) 5.082 6.937 ( -2.835 1.906 -0.438) 3.444 7.315 ( 10.255 -0.050 1.438) 10.355 7.463 ( -1.931 0.000 -1.035) 2.191 8.305 ( -5.401 0.467 -0.686) 5.464 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 0.000 2.920 0.938) 3.067 2.487 ( 0.000 3.226 -0.447) 3.257 3.425 ( 0.000 -0.238 6.052) 6.057 3.888 ( 0.000 0.872 0.109) 0.879 4.676 ( 0.000 -2.301 2.004) 3.051 5.610 ( -0.000 2.815 -5.395) 6.085 6.436 ( -0.000 -0.815 -2.687) 2.808 6.652 ( 0.000 0.811 5.060) 5.125 6.697 ( 0.000 3.345 2.436) 4.138 6.944 ( -0.000 1.120 -2.595) 2.826 7.577 ( -0.000 -0.742 -3.910) 3.980 8.640 ( 0.000 0.365 1.082) 1.142 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 1.334 2.926 2.328) 3.970 2.600 ( 10.348 1.136 -0.624) 10.428 3.453 ( 0.999 -0.974 6.704) 6.847 3.936 ( 5.236 -0.092 0.792) 5.296 4.668 ( 0.158 -0.697 1.667) 1.813 5.552 ( -4.702 -1.507 -7.176) 8.711 6.436 ( 3.415 -3.743 -3.500) 6.158 6.689 ( 4.696 -2.723 3.224) 6.314 6.749 ( 0.619 2.457 3.680) 4.468 6.968 ( -0.291 5.545 -0.309) 5.561 7.553 ( -1.289 0.842 -3.959) 4.248 8.624 ( -3.408 0.993 1.894) 4.024 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 1.510 1.280 2.135) 2.911 2.819 ( 14.797 -2.004 -1.928) 15.056 3.470 ( 0.331 -2.079 4.633) 5.089 4.069 ( 9.844 -1.126 2.716) 10.274 4.679 ( 0.420 0.942 1.318) 1.674 5.395 ( -7.033 -3.826 -6.339) 10.212 6.439 ( 2.971 -4.819 -2.364) 6.135 6.728 ( 2.950 -5.967 3.112) 7.348 6.854 ( 8.109 3.062 0.608) 8.689 7.033 ( 0.022 6.675 2.954) 7.299 7.527 ( -1.902 2.040 -3.459) 4.443 8.551 ( -6.803 0.836 1.305) 6.977 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 1.297 -0.670 1.445) 2.054 3.005 ( 12.325 -8.321 -2.198) 15.033 3.463 ( 0.240 -1.002 1.009) 1.442 4.241 ( 11.033 -3.650 2.330) 11.852 4.711 ( 0.841 2.620 1.063) 2.950 5.217 ( -6.988 -3.819 -2.635) 8.388 6.435 ( 3.472 -5.036 -2.473) 6.598 6.728 ( 1.698 -3.663 3.786) 5.535 6.988 ( 2.266 1.005 -0.166) 2.485 7.153 ( 7.340 4.134 4.181) 9.404 7.503 ( -2.342 2.110 -2.726) 4.167 8.429 ( -8.024 1.141 -0.047) 8.105 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 3.536 3.635) 5.071 2.505 ( -0.000 -1.420 0.236) 1.440 3.467 ( 0.000 -0.353 8.368) 8.376 3.883 ( -0.000 -1.284 -0.044) 1.285 4.672 ( 0.000 0.650 1.733) 1.851 5.521 ( -0.000 -6.580 -9.059) 11.197 6.339 ( -0.000 -5.383 -4.602) 7.082 6.616 ( 0.000 -6.198 3.250) 6.998 6.781 ( 0.000 1.890 3.828) 4.270 7.039 ( 0.000 7.630 1.485) 7.773 7.567 ( -0.000 2.414 -4.200) 4.844 8.679 ( 0.000 2.199 2.361) 3.226 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -0.532 1.438 3.112) 3.470 2.569 ( 9.620 -4.206 -0.478) 10.510 3.480 ( -1.040 -1.233 7.015) 7.198 3.923 ( 6.255 -1.842 1.386) 6.667 4.694 ( 0.237 2.198 1.766) 2.830 5.381 ( -2.597 -9.902 -8.797) 13.497 6.308 ( 4.186 -6.304 -3.491) 8.334 6.590 ( 3.621 -6.954 2.379) 8.193 6.817 ( 1.665 0.842 2.572) 3.177 7.123 ( -0.294 7.693 3.790) 8.581 7.571 ( -1.367 3.635 -4.020) 5.589 8.673 ( -4.446 2.658 1.634) 5.432 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -0.008 -1.574 2.039) 2.576 2.695 ( 12.040 -9.304 -1.927) 15.338 3.460 ( -0.958 -2.033 3.311) 4.001 4.047 ( 9.120 -2.958 2.669) 9.952 4.736 ( 0.527 3.735 1.815) 4.185 5.206 ( -2.266 -10.828 -5.911) 12.543 6.310 ( 4.046 -6.161 -2.339) 7.733 6.617 ( 5.744 -6.512 2.712) 9.098 6.884 ( 5.480 -0.748 0.314) 5.540 7.203 ( -0.453 6.809 5.896) 9.019 7.565 ( -2.442 4.308 -3.839) 6.266 8.592 ( -8.214 2.757 0.425) 8.675 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 0.000 -0.170 2.559) 2.565 2.425 ( -0.000 -7.039 -0.076) 7.040 3.509 ( 0.000 -1.890 8.304) 8.516 3.843 ( -0.000 -2.620 0.301) 2.637 4.727 ( 0.000 3.496 2.284) 4.176 5.248 ( -0.000 -13.979 -9.436) 16.865 6.187 ( -0.000 -6.969 -2.725) 7.483 6.504 ( -0.000 -5.976 2.128) 6.343 6.809 ( 0.000 -1.129 2.121) 2.403 7.213 ( 0.000 6.875 4.768) 8.366 7.613 ( -0.000 5.008 -3.842) 6.312 8.751 ( 0.000 3.859 0.727) 3.927 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -1.517 -4.105 1.453) 4.611 2.417 ( 7.853 -10.779 -1.322) 13.402 3.477 ( -2.453 -4.101 5.211) 7.070 3.885 ( 6.926 -3.034 1.638) 7.737 4.774 ( 0.429 3.082 2.739) 4.146 5.071 ( -0.278 -13.934 -7.498) 15.826 6.158 ( 4.761 -6.825 -1.274) 8.418 6.485 ( 3.091 -4.467 2.139) 5.838 6.812 ( 1.872 -2.200 0.550) 2.940 7.289 ( -0.093 5.059 5.964) 7.821 7.642 ( -1.740 6.163 -3.527) 7.311 8.747 ( -5.218 4.317 -0.626) 6.801 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -0.000 -8.462 -0.297) 8.467 2.220 ( -0.000 -13.313 -1.215) 13.368 3.462 ( 0.000 -8.496 4.382) 9.559 3.791 ( -0.000 -2.914 0.822) 3.027 4.744 ( -0.000 -11.923 -0.103) 11.924 4.971 ( -0.000 0.357 -2.556) 2.581 6.042 ( -0.000 -6.802 0.678) 6.836 6.439 ( 0.000 -1.464 1.949) 2.438 6.772 ( -0.000 -2.956 -0.370) 2.980 7.346 ( 0.000 2.476 5.978) 6.470 7.716 ( 0.000 7.622 -2.659) 8.073 8.835 ( -0.000 5.125 -2.530) 5.716 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.000 -0.000 20.142) 20.142 0.690 ( 0.000 -0.000 20.142) 20.142 1.124 ( 0.000 -0.000 33.687) 33.687 3.609 ( -0.000 0.000 -1.342) 1.342 3.609 ( -0.000 0.000 -1.342) 1.342 5.607 ( -0.000 0.000 -4.677) 4.677 5.607 ( -0.000 0.000 -4.677) 4.677 6.119 ( -0.000 0.000 -12.942) 12.942 6.719 ( 0.000 -0.000 3.258) 3.258 6.719 ( 0.000 -0.000 3.258) 3.258 8.492 ( 0.000 -0.000 7.700) 7.700 9.096 ( -0.000 0.000 -2.549) 2.549 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 8.923 5.152 15.690) 18.771 0.924 ( 9.135 5.274 19.918) 22.538 1.453 ( 18.579 10.726 18.750) 28.492 3.618 ( 0.991 0.572 -1.384) 1.796 3.674 ( 6.328 3.653 -0.340) 7.315 5.571 ( -0.720 -0.415 -3.447) 3.546 5.677 ( 4.960 2.864 -4.208) 7.107 6.390 ( 20.755 11.983 -21.670) 32.310 6.688 ( -2.382 -1.375 3.140) 4.174 6.758 ( 0.509 0.294 0.724) 0.932 8.466 ( -4.439 -2.563 7.593) 9.162 9.059 ( -3.422 -1.976 -4.395) 5.910 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 13.955 8.057 9.234) 18.572 1.196 ( 9.532 5.503 14.890) 18.516 1.984 ( 23.303 13.454 2.046) 26.986 3.645 ( 1.805 1.042 -1.314) 2.464 3.901 ( 12.824 7.404 3.726) 15.270 5.522 ( -2.604 -1.503 -2.006) 3.614 5.801 ( 6.926 3.999 -3.614) 8.777 6.636 ( -2.930 -1.692 2.843) 4.419 6.726 ( -2.766 -1.597 0.878) 3.312 6.791 ( 19.099 11.027 -17.019) 27.857 8.352 ( -7.300 -4.215 6.996) 10.955 8.891 ( -9.454 -5.458 -6.867) 12.897 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 10.461 6.040 5.631) 13.327 1.512 ( 15.088 8.711 4.519) 17.999 2.500 ( 22.086 12.751 -4.363) 25.873 3.691 ( 2.534 1.463 -1.099) 3.126 4.252 ( 15.370 8.874 6.452) 18.884 5.446 ( -3.563 -2.057 -0.111) 4.116 5.962 ( 7.964 4.598 -2.543) 9.541 6.583 ( -2.245 -1.296 2.097) 3.334 6.646 ( -3.719 -2.147 0.572) 4.332 7.129 ( 13.230 7.639 -10.118) 18.324 8.206 ( -7.158 -4.133 7.633) 11.251 8.605 ( -12.112 -6.993 -10.057) 17.227 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 10.248 5.917 -1.023) 11.878 1.856 ( 13.834 7.987 1.592) 16.054 2.960 ( 19.499 11.258 -4.648) 22.991 3.751 ( 2.907 1.678 -0.794) 3.449 4.598 ( 12.406 7.163 5.422) 15.317 5.361 ( -4.258 -2.458 2.167) 5.373 6.134 ( 7.098 4.098 -0.271) 8.201 6.559 ( 0.163 0.094 0.244) 0.308 6.583 ( -1.677 -0.968 1.054) 2.204 7.278 ( 2.371 1.369 -8.549) 8.976 8.037 ( -12.147 -7.013 5.597) 15.102 8.386 ( -0.878 -0.507 -7.729) 7.795 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 8.394 4.846 -3.767) 10.399 2.144 ( 11.078 6.396 0.162) 12.792 3.348 ( 15.584 8.997 -4.727) 18.605 3.813 ( 2.662 1.537 -0.481) 3.111 4.825 ( 5.762 3.327 2.393) 7.071 5.272 ( -4.079 -2.355 4.881) 6.783 6.263 ( 3.404 1.965 3.197) 5.066 6.587 ( 1.917 1.107 0.412) 2.251 6.604 ( 4.155 2.399 -2.788) 5.549 7.224 ( -3.283 -1.896 -7.931) 8.791 7.722 ( -14.215 -8.207 1.445) 16.478 8.473 ( 6.944 4.009 -1.414) 8.142 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 5.875 3.392 -4.004) 7.877 2.357 ( 7.465 4.310 -0.219) 8.623 3.621 ( 9.798 5.657 -7.907) 13.802 3.864 ( 1.785 1.030 -0.199) 2.070 4.853 ( -2.940 -1.698 -2.141) 4.014 5.249 ( 0.131 0.075 10.431) 10.433 6.313 ( 0.105 0.061 4.694) 4.696 6.673 ( 5.665 3.271 -0.784) 6.589 6.711 ( 5.597 3.231 -3.981) 7.590 7.104 ( -5.144 -2.970 -7.890) 9.876 7.464 ( -8.315 -4.800 4.999) 10.824 8.618 ( 5.417 3.127 -1.229) 6.374 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 3.981 2.298 -3.157) 5.576 2.480 ( 3.331 1.923 -0.067) 3.847 3.731 ( 2.984 1.723 -12.636) 13.097 3.890 ( 0.468 0.270 -0.038) 0.542 4.755 ( -3.346 -1.932 -2.561) 4.635 5.304 ( -0.070 -0.040 13.249) 13.249 6.307 ( -1.833 -1.058 4.257) 4.754 6.808 ( 3.617 2.088 -3.454) 5.420 6.834 ( 8.050 4.648 -3.004) 9.769 6.927 ( -7.234 -4.177 -4.895) 9.682 7.393 ( -0.478 -0.276 7.469) 7.490 8.700 ( 2.328 1.344 -2.213) 3.482 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 2.573 1.485 -1.882) 3.517 2.505 ( -1.259 -0.727 0.271) 1.479 3.695 ( -1.538 -0.888 -13.232) 13.351 3.884 ( -0.969 -0.559 -0.130) 1.126 4.715 ( 0.597 0.345 -2.309) 2.410 5.297 ( -4.876 -2.815 12.322) 13.547 6.258 ( -3.578 -2.066 3.083) 5.155 6.709 ( -7.953 -4.592 -5.457) 10.683 6.846 ( 0.624 0.360 -2.420) 2.525 7.061 ( 9.838 5.680 -0.920) 11.397 7.454 ( 3.142 1.814 6.794) 7.702 8.724 ( 0.868 0.501 -1.826) 2.083 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -0.793 -0.458 -0.607) 1.099 2.421 ( -6.329 -3.654 0.666) 7.338 3.598 ( -3.439 -1.986 -9.032) 9.866 3.847 ( -2.081 -1.202 -0.463) 2.448 4.756 ( 3.407 1.967 -3.393) 5.195 5.152 ( -10.934 -6.313 9.411) 15.747 6.166 ( -5.051 -2.916 1.400) 5.998 6.532 ( -5.826 -3.364 -3.386) 7.532 6.825 ( -1.736 -1.002 -1.109) 2.291 7.255 ( 7.202 4.158 -3.665) 9.088 7.569 ( 5.102 2.946 4.908) 7.668 8.752 ( 2.193 1.266 0.627) 2.608 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 14.542 17.045) 22.406 0.969 ( 0.000 11.995 14.440) 18.773 1.515 ( 0.000 17.941 20.462) 27.213 3.603 ( -0.000 0.631 -1.451) 1.582 3.676 ( 0.000 7.158 -0.791) 7.201 5.550 ( -0.000 0.517 -4.308) 4.339 5.584 ( -0.000 -3.173 -2.229) 3.877 6.350 ( -0.000 24.618 -20.615) 32.110 6.715 ( 0.000 -1.626 1.420) 2.158 6.753 ( 0.000 -0.004 2.891) 2.891 8.489 ( 0.000 -5.665 7.741) 9.592 9.071 ( -0.000 -0.608 -4.980) 5.017 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 4.055 15.742 10.063) 19.119 1.226 ( 4.276 11.634 16.535) 20.665 1.866 ( 11.079 21.464 5.564) 24.787 3.631 ( 1.863 1.781 -1.361) 2.915 3.813 ( 6.890 9.463 2.038) 11.882 5.517 ( -1.046 -3.199 -2.388) 4.127 5.659 ( 9.288 0.738 -3.232) 9.862 6.613 ( 10.412 19.203 -16.636) 27.458 6.675 ( -1.925 -2.186 1.024) 3.088 6.750 ( -1.191 -0.965 1.798) 2.363 8.412 ( -3.746 -7.858 7.168) 11.276 8.977 ( -7.035 -2.835 -6.659) 10.093 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 4.191 10.456 9.557) 14.773 1.461 ( 8.046 16.036 6.825) 19.195 2.310 ( 16.022 19.710 -3.900) 25.698 3.682 ( 1.532 3.461 -1.313) 4.006 4.106 ( 13.672 9.800 5.321) 17.643 5.451 ( -1.459 -4.408 -0.904) 4.731 5.840 ( 9.961 3.794 -3.020) 11.079 6.611 ( -2.356 -3.147 1.983) 4.403 6.694 ( -3.090 -0.704 0.248) 3.179 6.952 ( 13.128 12.271 -10.524) 20.825 8.275 ( -5.032 -8.191 7.099) 11.950 8.738 ( -12.870 -4.606 -8.746) 16.228 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 5.543 9.388 2.554) 11.198 1.787 ( 9.146 15.557 3.327) 18.351 2.762 ( 17.167 16.497 -4.790) 24.286 3.743 ( 1.547 4.552 -1.119) 4.936 4.460 ( 14.023 7.847 5.036) 16.840 5.376 ( -1.838 -5.233 0.997) 5.636 6.044 ( 8.924 6.038 -2.049) 10.968 6.553 ( -1.216 -3.010 1.481) 3.568 6.643 ( -3.201 1.554 0.902) 3.671 7.187 ( 7.265 3.906 -8.588) 11.908 8.141 ( -5.537 -8.230 8.092) 12.801 8.442 ( -10.730 -2.022 -9.754) 14.641 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 6.258 7.755 -1.585) 10.091 2.090 ( 7.780 14.226 1.530) 16.286 3.174 ( 15.211 12.811 -3.776) 20.242 3.815 ( 1.382 5.540 -0.944) 5.788 4.740 ( 9.495 4.239 2.818) 10.774 5.292 ( -2.025 -6.017 2.698) 6.898 6.237 ( 6.055 6.756 0.239) 9.075 6.531 ( 1.440 -1.759 -0.059) 2.274 6.633 ( -1.247 4.224 0.343) 4.418 7.214 ( -0.700 -1.766 -8.147) 8.366 7.889 ( -13.932 -9.002 1.767) 16.681 8.393 ( 4.693 2.584 -1.504) 5.565 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 5.308 5.674 -2.929) 8.303 2.336 ( 4.962 12.481 0.739) 13.451 3.485 ( 10.307 7.546 -4.759) 13.632 3.892 ( 0.513 7.176 -1.250) 7.302 4.858 ( 0.736 -0.524 -0.814) 1.216 5.237 ( 1.664 -4.781 6.599) 8.318 6.365 ( 0.305 6.110 3.471) 7.033 6.575 ( 5.235 -0.010 -2.417) 5.766 6.691 ( 2.186 5.929 -1.055) 6.407 7.124 ( -3.411 -2.667 -7.513) 8.671 7.594 ( -11.266 -5.945 2.912) 13.068 8.527 ( 7.085 1.346 -0.041) 7.211 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 3.814 3.803 -2.995) 6.163 2.506 ( 1.210 10.507 0.602) 10.594 3.631 ( 4.306 1.257 -7.404) 8.656 3.956 ( -1.681 8.463 -2.755) 9.058 4.784 ( -3.887 -2.977 -2.937) 5.710 5.297 ( 4.353 -2.814 11.257) 12.393 6.397 ( -3.893 4.864 4.053) 7.432 6.685 ( 7.385 1.368 -3.150) 8.145 6.805 ( 4.276 6.362 -1.374) 7.788 6.989 ( -6.396 -3.230 -6.717) 9.822 7.441 ( -3.744 -1.868 6.186) 7.468 8.630 ( 4.886 -1.058 -1.401) 5.192 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 2.820 2.193 -2.579) 4.406 2.585 ( -3.192 8.318 0.778) 8.943 3.629 ( 0.393 -2.656 -9.414) 9.790 3.973 ( -4.202 7.301 -3.358) 9.068 4.709 ( -0.995 -0.915 -2.114) 2.509 5.352 ( 0.111 -3.695 11.928) 12.488 6.363 ( -6.042 3.097 3.295) 7.547 6.777 ( -1.948 -0.139 -4.763) 5.147 6.825 ( -2.390 -0.737 -3.633) 4.411 6.966 ( 7.605 5.931 -0.407) 9.653 7.445 ( 1.582 0.368 6.418) 6.620 8.669 ( 3.070 -2.857 -2.219) 4.744 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 1.382 -0.103 -1.982) 2.418 2.561 ( -8.139 5.500 1.036) 9.878 3.559 ( -0.645 -3.841 -8.229) 9.104 3.942 ( -5.477 5.642 -2.435) 8.232 4.715 ( 2.061 1.262 -2.342) 3.365 5.285 ( -7.062 -5.867 9.981) 13.562 6.278 ( -7.399 1.258 2.349) 7.864 6.619 ( -8.279 -0.984 -3.388) 8.999 6.838 ( -0.341 0.943 -1.715) 1.987 7.158 ( 8.051 4.903 -3.102) 9.924 7.524 ( 4.253 1.044 5.267) 6.850 8.687 ( 3.870 -3.137 -1.052) 5.092 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 15.038 7.770) 16.927 1.374 ( 0.000 14.724 13.109) 19.714 2.040 ( 0.000 26.101 2.376) 26.209 3.615 ( -0.000 1.545 -1.250) 1.987 3.879 ( 0.000 12.696 2.632) 12.966 5.483 ( -0.000 -5.466 -0.701) 5.511 5.579 ( 0.000 4.670 -1.964) 5.066 6.659 ( -0.000 -2.604 -1.065) 2.813 6.679 ( -0.000 18.156 -12.029) 21.780 6.758 ( 0.000 -0.960 1.557) 1.829 8.374 ( 0.000 -10.566 6.356) 12.331 8.991 ( -0.000 -2.979 -7.900) 8.443 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 4.221 15.631 4.506) 16.806 1.562 ( 1.647 12.809 9.649) 16.121 2.341 ( 5.363 25.464 -4.542) 26.415 3.667 ( 3.452 2.616 -1.172) 4.487 4.069 ( 5.361 13.888 5.018) 15.710 5.418 ( -0.820 -5.736 0.221) 5.799 5.711 ( 8.370 5.998 -0.830) 10.331 6.607 ( -1.142 -4.810 1.655) 5.213 6.733 ( -1.699 -0.043 -0.078) 1.701 6.880 ( 6.679 14.041 -9.153) 18.042 8.262 ( -2.254 -11.413 5.733) 12.970 8.857 ( -8.229 -3.693 -9.266) 12.931 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 1.549 10.377 2.499) 10.786 1.834 ( 7.283 17.226 4.303) 19.191 2.693 ( 10.348 21.605 -5.532) 24.586 3.755 ( 2.940 4.584 -1.213) 5.579 4.351 ( 9.894 11.457 4.594) 15.819 5.344 ( -1.112 -6.473 1.652) 6.772 5.941 ( 10.059 7.800 -0.458) 12.736 6.546 ( -1.301 -4.134 1.940) 4.748 6.706 ( -1.880 1.333 -0.151) 2.310 7.082 ( 6.974 6.262 -7.099) 11.758 8.133 ( -2.079 -10.685 6.521) 12.689 8.602 ( -12.768 -2.341 -10.057) 16.421 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 3.156 8.915 -0.568) 9.474 2.141 ( 6.710 17.510 2.725) 18.949 3.068 ( 12.442 16.648 -3.405) 21.061 3.850 ( 2.148 6.829 -1.079) 7.240 4.627 ( 9.696 6.825 1.907) 12.010 5.260 ( -1.579 -7.458 2.605) 8.056 6.188 ( 8.643 9.144 0.033) 12.583 6.502 ( -0.210 -2.750 1.162) 2.993 6.703 ( -1.306 3.994 -0.172) 4.205 7.161 ( 1.978 -0.815 -7.046) 7.363 7.989 ( -6.704 -10.872 4.633) 13.587 8.397 ( -4.757 2.011 -5.672) 7.671 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 3.730 7.120 -1.575) 8.190 2.415 ( 4.343 16.880 1.928) 17.536 3.391 ( 9.740 10.631 -2.416) 14.619 3.959 ( 1.498 9.864 -1.417) 10.077 4.810 ( 5.287 2.325 -0.182) 5.779 5.167 ( -0.199 -8.439 3.353) 9.083 6.405 ( 5.252 9.282 1.658) 10.793 6.498 ( 2.250 -1.039 -1.165) 2.738 6.738 ( -0.408 6.013 -0.048) 6.027 7.116 ( -1.453 -2.558 -6.806) 7.414 7.734 ( -11.210 -7.643 1.656) 13.669 8.427 ( 4.879 0.972 0.015) 4.974 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 2.952 5.217 -1.784) 6.254 2.629 ( 0.938 15.667 1.806) 15.799 3.571 ( 3.872 3.971 -3.447) 6.530 4.073 ( -0.838 12.301 -3.348) 12.776 4.811 ( -3.629 -2.336 -2.894) 5.196 5.177 ( 7.660 -6.289 7.660) 12.526 6.502 ( -0.211 2.534 1.263) 2.839 6.598 ( 5.084 6.887 -1.339) 8.664 6.804 ( 1.707 5.000 0.551) 5.312 7.034 ( -3.710 -0.612 -6.700) 7.683 7.524 ( -6.956 -3.713 3.661) 8.694 8.518 ( 5.507 -2.200 -0.057) 5.930 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 1.842 3.469 -1.862) 4.347 2.764 ( -3.315 14.031 2.096) 14.568 3.592 ( -0.882 -0.773 -5.326) 5.454 4.127 ( -4.839 11.008 -5.232) 13.114 4.716 ( -2.293 -1.845 -2.018) 3.569 5.286 ( 6.684 -5.465 9.453) 12.803 6.495 ( -3.737 1.892 0.637) 4.237 6.744 ( 4.462 6.338 -0.972) 7.812 6.883 ( 0.503 -1.269 0.629) 1.502 6.944 ( -3.077 6.623 -5.380) 9.070 7.454 ( -0.795 -0.827 4.813) 4.948 8.560 ( 3.996 -4.917 -1.304) 6.469 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 0.788 1.564 -1.935) 2.610 2.797 ( -8.551 11.166 2.307) 14.252 3.523 ( -1.874 -2.683 -5.595) 6.482 4.104 ( -6.596 8.353 -4.251) 11.461 4.694 ( 0.766 0.619 -1.548) 1.834 5.321 ( -0.016 -6.205 8.160) 10.251 6.420 ( -6.485 0.588 1.316) 6.643 6.761 ( -7.484 -0.245 -3.140) 8.120 6.858 ( -0.050 6.804 -0.222) 6.808 7.063 ( 6.800 4.807 -2.873) 8.810 7.486 ( 2.579 0.036 4.463) 5.155 8.565 ( 4.122 -6.135 -1.330) 7.510 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.000 15.454 2.505) 15.656 1.696 ( 0.000 11.245 4.864) 12.252 2.541 ( 0.000 25.535 -6.853) 26.439 3.649 ( 0.000 2.564 -0.645) 2.644 4.206 ( 0.000 16.944 6.299) 18.077 5.368 ( -0.000 -6.534 1.916) 6.809 5.709 ( 0.000 8.653 1.238) 8.741 6.574 ( 0.000 -4.931 2.409) 5.488 6.740 ( -0.000 -1.243 -0.389) 1.303 6.932 ( -0.000 12.459 -7.413) 14.498 8.175 ( -0.000 -12.605 4.306) 13.320 8.859 ( -0.000 -3.693 -10.341) 10.981 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -0.104 9.566 -0.302) 9.572 1.883 ( 6.601 15.150 1.807) 16.624 2.783 ( 3.370 22.548 -6.426) 23.687 3.718 ( 4.395 3.241 -0.681) 5.503 4.413 ( 1.789 16.420 5.663) 17.461 5.303 ( -0.820 -6.759 3.343) 7.584 5.876 ( 7.238 9.869 2.186) 12.432 6.530 ( -0.789 -4.027 2.832) 4.986 6.724 ( -0.061 -0.265 -1.353) 1.380 7.039 ( 3.027 6.516 -5.304) 8.930 8.059 ( -0.621 -11.930 3.991) 12.595 8.723 ( -7.501 -2.557 -10.673) 13.293 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 1.407 7.930 -2.016) 8.302 2.183 ( 9.044 15.923 1.311) 18.359 3.060 ( 7.318 17.989 -3.352) 19.708 3.841 ( 5.409 4.751 -0.833) 7.248 4.610 ( 3.035 11.743 2.257) 12.337 5.229 ( -1.791 -6.605 3.973) 7.913 6.133 ( 9.225 10.536 2.079) 14.157 6.490 ( -0.905 -2.630 2.163) 3.523 6.735 ( 0.979 2.187 -1.608) 2.886 7.100 ( 1.956 0.023 -4.806) 5.188 7.949 ( -0.980 -11.307 4.078) 12.060 8.523 ( -9.276 0.741 -8.451) 12.570 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 2.779 6.834 -1.651) 7.559 2.492 ( 7.499 16.200 1.152) 17.889 3.344 ( 8.289 12.098 -0.843) 14.689 3.993 ( 5.475 8.090 -0.618) 9.788 4.758 ( 3.959 5.584 -0.201) 6.848 5.129 ( -3.589 -6.994 2.606) 8.282 6.391 ( 7.812 10.361 1.584) 13.073 6.468 ( 0.079 -1.205 0.852) 1.477 6.789 ( 1.372 4.901 -1.159) 5.220 7.081 ( 0.020 -2.656 -4.857) 5.536 7.800 ( -5.402 -10.022 1.776) 11.523 8.415 ( -2.542 2.219 -2.676) 4.306 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 2.665 5.469 -1.042) 6.172 2.756 ( 4.169 15.890 1.438) 16.491 3.543 ( 4.409 5.503 -0.696) 7.085 4.177 ( 3.603 12.587 -1.399) 13.167 4.843 ( -0.422 2.126 -2.182) 3.075 5.011 ( 1.633 -9.469 3.465) 10.214 6.477 ( 1.768 0.022 -1.032) 2.047 6.609 ( 5.440 9.343 1.889) 10.975 6.844 ( -0.500 3.320 -0.136) 3.361 7.052 ( 0.188 1.534 -4.734) 4.979 7.610 ( -6.896 -6.001 1.350) 9.241 8.426 ( 2.326 -1.099 0.218) 2.582 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 1.563 3.962 -0.867) 4.347 2.953 ( 0.014 15.033 2.253) 15.200 3.595 ( -0.801 0.279 -2.121) 2.285 4.311 ( -3.251 13.986 -4.314) 14.993 4.748 ( -5.154 -1.852 -2.455) 6.002 5.087 ( 11.298 -7.718 6.416) 15.112 6.511 ( 1.672 0.621 -1.314) 2.215 6.767 ( 1.849 7.315 -0.618) 7.570 6.843 ( 1.397 -1.705 1.937) 2.934 7.079 ( -2.727 9.134 -3.770) 10.250 7.486 ( -3.093 -2.419 2.565) 4.690 8.444 ( 2.900 -4.977 -0.107) 5.761 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 0.267 2.409 -1.046) 2.640 3.058 ( -5.662 13.077 3.119) 14.587 3.529 ( -3.277 -2.668 -3.232) 5.320 4.310 ( -8.389 10.853 -4.616) 14.473 4.688 ( -0.253 0.047 -0.959) 0.993 5.208 ( 7.958 -7.556 5.402) 12.231 6.508 ( -2.909 0.480 0.341) 2.968 6.783 ( -0.244 -0.909 -3.707) 3.825 6.923 ( 3.730 2.466 2.258) 5.009 7.103 ( -4.643 11.869 -2.471) 12.982 7.468 ( 0.845 -0.509 2.721) 2.894 8.431 ( 3.127 -7.101 -0.497) 7.775 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.000 7.335 -3.590) 8.166 1.953 ( 0.000 14.055 -0.735) 14.074 2.946 ( 0.000 19.695 -5.680) 20.498 3.708 ( 0.000 3.495 0.181) 3.499 4.593 ( 0.000 16.463 5.307) 17.297 5.262 ( 0.000 -5.765 5.044) 7.660 5.926 ( 0.000 11.154 3.922) 11.823 6.514 ( 0.000 -2.819 3.571) 4.549 6.707 ( -0.000 -1.089 -2.478) 2.707 7.054 ( -0.000 3.786 -3.845) 5.396 7.957 ( -0.000 -11.270 2.231) 11.489 8.726 ( -0.000 -2.104 -10.706) 10.911 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.261 6.209 -4.427) 7.630 2.166 ( 8.601 13.116 -1.300) 15.739 3.133 ( 3.050 15.714 -2.642) 16.224 3.785 ( 4.518 3.731 0.104) 5.861 4.733 ( -1.284 10.512 2.669) 10.921 5.228 ( -1.623 -2.015 5.403) 5.990 6.112 ( 6.376 11.281 4.139) 13.603 6.497 ( -1.059 -1.254 3.133) 3.537 6.707 ( 2.206 0.037 -2.860) 3.612 7.067 ( 0.431 -0.368 -3.039) 3.092 7.857 ( -0.090 -10.173 1.418) 10.272 8.628 ( -5.473 -0.146 -8.811) 10.374 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 2.375 5.600 -2.708) 6.658 2.470 ( 11.559 12.842 -1.170) 17.317 3.339 ( 5.672 10.824 0.542) 12.232 3.931 ( 7.766 4.609 0.187) 9.032 4.784 ( -0.468 2.665 1.176) 2.950 5.186 ( -5.431 1.770 2.306) 6.160 6.364 ( 8.183 10.498 3.173) 13.684 6.476 ( -1.341 -0.027 1.572) 2.066 6.770 ( 4.384 2.654 -2.153) 5.559 7.040 ( -0.168 -3.036 -2.558) 3.973 7.754 ( -1.235 -9.540 0.344) 9.625 8.509 ( -6.040 1.986 -4.595) 7.845 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 3.010 4.813 -1.014) 5.767 2.781 ( 9.944 12.709 -0.860) 16.160 3.518 ( 4.821 5.080 1.621) 7.188 4.149 ( 10.573 7.103 1.126) 12.787 4.801 ( 2.510 -2.758 1.778) 4.131 5.073 ( -10.299 2.390 -2.272) 10.815 6.468 ( -0.351 1.191 -0.181) 1.255 6.600 ( 6.771 8.499 2.903) 11.247 6.863 ( 1.722 2.738 -1.902) 3.752 7.019 ( 2.923 -0.362 -1.700) 3.401 7.629 ( -3.119 -7.456 -0.450) 8.095 8.437 ( -3.413 1.036 -0.801) 3.655 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 2.166 3.628 -0.301) 4.236 3.043 ( 6.219 12.255 0.053) 13.742 3.596 ( 0.778 -0.087 0.478) 0.917 4.409 ( 7.651 10.438 0.321) 12.946 4.843 ( 7.729 -8.243 3.732) 11.900 4.884 ( -12.145 3.027 -4.298) 13.234 6.490 ( 1.283 2.028 -0.756) 2.516 6.775 ( 4.670 4.621 3.347) 7.373 6.840 ( -2.494 -0.905 -2.562) 3.689 7.141 ( 5.053 7.772 -1.129) 9.339 7.515 ( -3.036 -4.076 0.148) 5.085 8.389 ( -1.512 -2.656 0.220) 3.065 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.725 2.289 -0.288) 2.418 3.231 ( 1.410 11.365 1.583) 11.561 3.548 ( -3.370 -4.129 -1.115) 5.445 4.557 ( -5.050 13.067 -2.777) 14.281 4.713 ( -5.395 -0.338 -1.174) 5.532 4.957 ( 12.288 -8.842 3.427) 15.521 6.538 ( 1.059 2.694 0.151) 2.898 6.771 ( -1.716 -2.421 -2.435) 3.839 6.883 ( 2.983 1.817 1.693) 3.882 7.277 ( -0.572 10.656 -0.945) 10.713 7.460 ( -0.253 -1.491 1.004) 1.815 8.333 ( 0.105 -5.734 0.048) 5.735 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -0.000 4.631 -5.598) 7.265 2.196 ( 0.000 11.300 -1.775) 11.439 3.239 ( 0.000 11.938 -0.518) 11.949 3.784 ( 0.000 3.692 0.642) 3.747 4.815 ( 0.000 1.239 2.443) 2.739 5.286 ( 0.000 6.399 4.392) 7.761 6.182 ( 0.000 10.997 4.974) 12.070 6.519 ( 0.000 0.893 3.815) 3.918 6.666 ( -0.000 -0.740 -3.855) 3.926 7.045 ( -0.000 -1.955 -2.046) 2.830 7.767 ( -0.000 -8.512 -0.686) 8.539 8.645 ( -0.000 0.133 -7.304) 7.305 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 1.593 4.357 -3.276) 5.679 2.381 ( 9.538 9.798 -1.930) 13.810 3.364 ( 2.776 7.789 2.301) 8.583 3.861 ( 4.634 3.416 0.659) 5.794 4.796 ( -0.783 -3.781 2.634) 4.674 5.342 ( -4.421 9.095 0.361) 10.119 6.351 ( 5.690 9.286 3.928) 11.577 6.524 ( -2.274 2.055 2.169) 3.755 6.696 ( 4.753 1.099 -2.132) 5.324 7.009 ( -0.513 -3.419 -1.332) 3.705 7.681 ( -0.528 -7.215 -2.113) 7.537 8.597 ( -3.658 1.222 -4.100) 5.629 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 3.081 4.057 -0.803) 5.157 2.672 ( 13.576 8.817 -2.245) 16.342 3.492 ( 3.979 3.265 3.946) 6.486 4.019 ( 9.720 3.410 1.809) 10.458 4.754 ( -0.070 -4.504 2.499) 5.152 5.298 ( -9.648 7.533 -3.845) 12.831 6.501 ( -0.797 1.235 0.981) 1.767 6.572 ( 6.271 8.447 2.054) 10.719 6.818 ( 6.315 3.560 -0.789) 7.292 6.960 ( 0.285 -3.959 -0.162) 3.973 7.592 ( -1.379 -5.739 -2.737) 6.506 8.527 ( -5.034 1.437 -0.942) 5.320 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 2.846 3.093 0.231) 4.210 2.976 ( 12.537 8.055 -2.382) 15.091 3.569 ( 2.048 -1.245 2.983) 3.827 4.270 ( 14.191 3.065 3.672) 14.976 4.725 ( 0.937 -4.367 1.936) 4.868 5.148 ( -13.255 6.179 -5.475) 15.616 6.504 ( -0.277 1.976 0.086) 1.998 6.746 ( 4.309 3.366 3.285) 6.379 6.870 ( -1.547 1.569 -3.031) 3.747 7.052 ( 10.553 2.382 1.527) 10.926 7.510 ( -1.601 -3.427 -2.194) 4.373 8.442 ( -5.544 -0.355 0.294) 5.564 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.000 3.909 -1.791) 4.300 2.374 ( 0.000 7.755 -1.234) 7.852 3.412 ( 0.000 4.547 4.638) 6.495 3.853 ( 0.000 2.664 0.473) 2.706 4.764 ( 0.000 -5.332 3.114) 6.175 5.471 ( 0.000 8.798 -2.988) 9.291 6.387 ( 0.000 5.801 1.716) 6.049 6.600 ( 0.000 4.391 4.184) 6.065 6.645 ( -0.000 1.641 -1.455) 2.194 6.975 ( -0.000 -3.697 -0.908) 3.807 7.616 ( -0.000 -4.926 -3.947) 6.312 8.629 ( -0.000 1.156 -1.944) 2.262 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 1.962 3.898 0.509) 4.393 2.526 ( 9.770 5.924 -1.318) 11.502 3.481 ( 1.924 1.535 6.519) 6.968 3.921 ( 5.267 1.941 1.004) 5.703 4.723 ( -0.237 -4.166 2.763) 5.005 5.481 ( -5.340 5.700 -6.282) 10.023 6.464 ( 4.436 0.369 -1.727) 4.775 6.622 ( -1.258 6.298 2.901) 7.047 6.748 ( 5.525 3.269 3.486) 7.305 6.930 ( -0.790 -3.052 -1.039) 3.319 7.555 ( -0.869 -2.945 -4.687) 5.603 8.611 ( -3.103 1.275 0.347) 3.373 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 2.546 3.007 1.330) 4.158 2.786 ( 14.509 4.205 -2.348) 15.287 3.535 ( 1.536 -1.689 5.731) 6.169 4.083 ( 10.810 1.017 3.507) 11.410 4.696 ( -0.076 -2.334 1.890) 3.004 5.372 ( -9.201 3.324 -7.509) 12.332 6.502 ( 1.801 -1.834 -0.737) 2.674 6.731 ( 3.520 6.541 1.693) 7.619 6.876 ( 5.622 -5.150 2.687) 8.084 6.912 ( 2.152 5.821 0.074) 6.207 7.500 ( -1.277 -1.055 -4.192) 4.507 8.547 ( -5.801 0.517 1.204) 5.947 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.000 4.287 2.336) 4.882 2.483 ( 0.000 3.628 -0.305) 3.641 3.502 ( 0.000 0.483 9.106) 9.119 3.889 ( 0.000 0.719 0.085) 0.724 4.699 ( 0.000 -2.823 2.616) 3.849 5.537 ( -0.000 1.598 -8.947) 9.088 6.399 ( -0.000 -2.194 -4.325) 4.850 6.711 ( 0.000 0.631 6.560) 6.590 6.730 ( 0.000 4.472 3.790) 5.862 6.921 ( -0.000 1.431 -1.992) 2.452 7.529 ( -0.000 -0.541 -5.592) 5.619 8.656 ( 0.000 1.406 1.874) 2.343 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 0.880 3.572 2.728) 4.580 2.593 ( 9.579 1.393 -0.768) 9.710 3.534 ( -0.223 -1.104 8.957) 9.028 3.948 ( 6.442 -0.072 1.661) 6.653 4.687 ( -0.036 -1.023 2.093) 2.330 5.464 ( -4.079 -1.831 -10.028) 10.980 6.399 ( 4.568 -4.023 -3.690) 7.118 6.729 ( 3.090 -3.043 4.500) 6.250 6.787 ( 0.467 1.060 3.796) 3.969 6.965 ( 0.380 7.832 -0.173) 7.843 7.505 ( -0.970 1.239 -5.422) 5.646 8.646 ( -3.696 1.224 2.274) 4.508 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.000 3.601 2.964) 4.663 2.507 ( -0.000 -1.327 -0.017) 1.328 3.569 ( 0.000 -0.913 11.452) 11.488 3.883 ( -0.000 -1.230 0.046) 1.231 4.692 ( 0.000 0.541 2.209) 2.274 5.418 ( -0.000 -6.428 -11.302) 13.002 6.294 ( -0.000 -4.928 -4.042) 6.373 6.657 ( 0.000 -7.751 4.720) 9.075 6.817 ( 0.000 1.413 3.255) 3.548 7.052 ( 0.000 9.788 1.022) 9.841 7.517 ( -0.000 3.032 -5.662) 6.423 8.703 ( 0.000 1.778 2.282) 2.893 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 -0.000 17.089) 17.089 0.879 ( 0.000 -0.000 17.089) 17.089 1.445 ( 0.000 -0.000 29.391) 29.391 3.594 ( -0.000 0.000 -1.569) 1.569 3.594 ( -0.000 0.000 -1.569) 1.569 5.559 ( -0.000 0.000 -4.619) 4.619 5.559 ( -0.000 0.000 -4.619) 4.619 5.982 ( -0.000 0.000 -13.799) 13.799 6.752 ( 0.000 -0.000 3.144) 3.144 6.752 ( 0.000 -0.000 3.144) 3.144 8.574 ( 0.000 -0.000 8.466) 8.466 9.065 ( -0.000 0.000 -3.486) 3.486 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 6.603 3.812 14.144) 16.068 1.116 ( 10.402 6.006 17.478) 21.208 1.633 ( 9.273 5.354 16.386) 19.574 3.602 ( 1.027 0.593 -1.614) 2.002 3.674 ( 7.722 4.458 0.284) 8.921 5.530 ( -0.161 -0.093 -4.273) 4.277 5.630 ( 5.126 2.960 -4.838) 7.645 6.192 ( 19.692 11.369 -17.119) 28.462 6.721 ( -2.415 -1.394 3.315) 4.332 6.772 ( -0.530 -0.306 1.664) 1.773 8.547 ( -4.741 -2.737 8.361) 9.994 9.011 ( -4.296 -2.480 -5.120) 7.129 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 11.607 6.702 9.053) 16.174 1.362 ( 5.720 3.303 17.486) 18.692 1.987 ( 19.172 11.069 -1.495) 22.188 3.630 ( 1.904 1.099 -1.534) 2.680 3.942 ( 14.414 8.322 4.098) 17.141 5.494 ( -1.714 -0.989 -3.235) 3.792 5.757 ( 7.303 4.217 -4.881) 9.744 6.625 ( 19.212 11.092 -14.046) 26.257 6.668 ( -3.105 -1.793 3.402) 4.942 6.742 ( -0.544 -0.314 0.881) 1.082 8.429 ( -7.550 -4.359 8.112) 11.908 8.820 ( -10.478 -6.050 -7.158) 14.059 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 6.104 3.524 8.446) 11.000 1.560 ( 13.412 7.744 4.839) 16.226 2.454 ( 21.729 12.545 -4.606) 25.509 3.678 ( 2.688 1.552 -1.322) 3.374 4.312 ( 15.556 8.981 5.163) 18.689 5.438 ( -2.434 -1.405 -1.396) 3.138 5.926 ( 8.759 5.057 -4.465) 11.056 6.610 ( -2.752 -1.589 3.259) 4.552 6.649 ( -3.242 -1.872 0.120) 3.745 7.028 ( 14.189 8.192 -9.548) 18.963 8.292 ( -6.488 -3.746 9.272) 11.921 8.508 ( -13.351 -7.708 -9.101) 17.902 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 7.756 4.478 1.695) 9.115 1.875 ( 12.838 7.412 2.178) 14.983 2.918 ( 19.672 11.357 -3.538) 22.989 3.741 ( 3.084 1.781 -1.035) 3.709 4.645 ( 11.714 6.763 3.688) 14.020 5.373 ( -3.126 -1.805 0.296) 3.622 6.116 ( 8.729 5.040 -3.062) 10.534 6.573 ( -1.133 -0.654 2.382) 2.718 6.590 ( -1.670 -0.964 0.329) 1.956 7.190 ( 2.730 1.576 -8.678) 9.233 8.072 ( -15.449 -8.919 0.706) 17.853 8.347 ( 2.592 1.496 0.773) 3.091 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 7.344 4.240 -1.423) 8.599 2.150 ( 10.606 6.123 0.863) 12.277 3.303 ( 14.692 8.483 -4.100) 17.453 3.807 ( 2.844 1.642 -0.705) 3.359 4.844 ( 4.136 2.388 1.152) 4.913 5.311 ( -1.801 -1.040 2.788) 3.478 6.281 ( 5.557 3.208 0.349) 6.426 6.586 ( 1.546 0.893 -0.531) 1.863 6.587 ( 2.293 1.324 -0.411) 2.679 7.145 ( -2.946 -1.701 -7.351) 8.100 7.735 ( -13.106 -7.567 1.193) 15.181 8.477 ( 6.494 3.749 2.122) 7.793 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 5.625 3.248 -2.654) 7.016 2.357 ( 7.305 4.217 0.344) 8.442 3.541 ( 7.683 4.436 -7.640) 11.708 3.861 ( 1.940 1.120 -0.342) 2.266 4.828 ( -3.953 -2.282 -2.838) 5.375 5.348 ( 2.678 1.546 8.832) 9.357 6.357 ( 0.662 0.382 3.941) 4.015 6.661 ( 5.295 3.057 -1.675) 6.339 6.673 ( 5.216 3.012 -3.500) 6.966 7.032 ( -5.015 -2.896 -6.185) 8.473 7.517 ( -6.571 -3.794 5.395) 9.310 8.611 ( 4.478 2.586 -0.209) 5.175 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 4.197 2.423 -3.068) 5.735 2.481 ( 3.331 1.923 0.127) 3.849 3.607 ( 1.507 0.870 -11.493) 11.624 3.889 ( 0.522 0.301 -0.063) 0.606 4.727 ( -2.892 -1.670 -2.824) 4.373 5.432 ( 0.513 0.296 11.756) 11.771 6.353 ( -2.135 -1.233 4.655) 5.267 6.770 ( 3.963 2.288 -3.925) 6.029 6.781 ( 2.415 1.394 -6.779) 7.330 6.907 ( -0.936 -0.541 0.314) 1.126 7.466 ( -0.391 -0.226 6.805) 6.820 8.677 ( 1.920 1.109 -2.248) 3.158 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 9.485 11.631) 15.008 1.135 ( 0.000 14.085 15.407) 20.875 1.705 ( 0.000 9.297 16.542) 18.975 3.588 ( -0.000 0.707 -1.436) 1.601 3.672 ( 0.000 8.256 -0.086) 8.257 5.513 ( -0.000 1.093 -2.928) 3.125 5.551 ( -0.000 -1.812 -4.027) 4.416 6.164 ( -0.000 23.666 -15.937) 28.532 6.736 ( 0.000 -2.571 2.375) 3.500 6.779 ( 0.000 -0.342 2.130) 2.158 8.571 ( 0.000 -6.231 8.249) 10.337 9.017 ( -0.000 -1.964 -5.757) 6.083 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 3.361 13.048 8.608) 15.989 1.396 ( 5.073 9.387 16.670) 19.792 1.901 ( 6.267 15.881 1.256) 17.119 3.617 ( 1.786 1.924 -1.401) 2.976 3.838 ( 8.222 10.707 2.843) 13.796 5.488 ( -1.024 -1.845 -3.093) 3.744 5.628 ( 8.416 1.874 -2.960) 9.116 6.457 ( 11.515 21.538 -13.392) 27.854 6.697 ( -1.749 -3.344 2.535) 4.546 6.766 ( -1.390 -0.914 1.171) 2.035 8.489 ( -3.684 -8.655 7.883) 12.273 8.906 ( -7.231 -3.980 -7.445) 11.116 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 6.792 12.827 5.217) 15.423 1.568 ( 1.796 7.922 11.667) 14.216 2.263 ( 15.530 18.849 -5.152) 24.960 3.668 ( 1.561 3.569 -1.309) 4.110 4.156 ( 14.102 10.040 4.300) 17.837 5.437 ( -1.088 -2.979 -1.651) 3.576 5.807 ( 9.322 5.141 -3.389) 11.172 6.634 ( -2.149 -3.784 2.518) 5.027 6.691 ( -1.632 0.785 -0.746) 1.958 6.858 ( 12.487 12.549 -7.835) 19.359 8.353 ( -4.339 -8.645 8.329) 12.765 8.649 ( -13.290 -5.627 -8.750) 16.878 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 3.614 6.797 3.889) 8.624 1.823 ( 7.917 15.034 3.605) 17.369 2.719 ( 17.755 16.599 -3.567) 24.566 3.732 ( 1.629 4.630 -1.121) 5.035 4.501 ( 13.748 7.145 2.898) 15.762 5.379 ( -1.441 -3.975 -0.229) 4.234 6.016 ( 8.921 7.469 -3.314) 12.097 6.572 ( -1.526 -3.548 2.031) 4.363 6.651 ( -2.919 1.347 0.905) 3.340 7.102 ( 6.985 4.591 -7.872) 11.482 8.219 ( -9.031 -10.028 5.867) 14.715 8.361 ( -6.296 -0.909 -4.800) 7.969 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 5.034 6.666 0.651) 8.379 2.108 ( 7.009 14.236 1.971) 15.990 3.141 ( 14.933 12.867 -2.756) 19.904 3.806 ( 1.472 5.466 -0.980) 5.746 4.761 ( 9.088 3.298 1.331) 9.759 5.308 ( -1.241 -4.914 0.562) 5.100 6.226 ( 7.234 8.227 -2.212) 11.176 6.535 ( 0.460 -2.477 0.692) 2.612 6.639 ( -1.639 3.796 0.877) 4.226 7.136 ( -0.568 -1.314 -6.994) 7.139 7.896 ( -14.273 -8.221 -0.311) 16.474 8.404 ( 5.846 1.528 3.501) 6.983 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 4.544 5.424 -0.972) 7.142 2.347 ( 4.440 12.771 1.323) 13.586 3.437 ( 8.676 7.655 -4.572) 12.441 3.880 ( 0.550 6.411 -1.131) 6.533 4.844 ( -0.857 -1.666 -1.774) 2.581 5.295 ( 4.697 -3.109 4.765) 7.378 6.389 ( 2.134 7.196 1.006) 7.573 6.553 ( 4.265 -0.961 -1.637) 4.668 6.683 ( 1.084 6.106 -0.509) 6.223 7.056 ( -3.364 -2.625 -5.699) 7.120 7.625 ( -9.445 -5.217 3.124) 11.234 8.535 ( 6.149 0.529 1.685) 6.397 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 3.338 3.964 -2.007) 5.557 2.514 ( 0.789 11.000 1.022) 11.075 3.554 ( 2.091 2.258 -7.669) 8.264 3.934 ( -1.376 6.599 -1.675) 6.946 4.753 ( -3.735 -2.682 -3.045) 5.515 5.402 ( 6.032 -2.441 9.250) 11.309 6.436 ( -3.339 4.174 3.500) 6.389 6.653 ( 6.923 1.643 -3.217) 7.809 6.783 ( 2.768 7.165 -3.030) 8.257 6.938 ( -4.618 -3.095 -2.917) 6.278 7.502 ( -2.774 -2.047 5.737) 6.693 8.618 ( 3.889 -1.406 -0.994) 4.253 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 12.820 5.333) 13.885 1.511 ( 0.000 11.462 13.707) 17.868 2.039 ( 0.000 20.455 -2.802) 20.646 3.604 ( -0.000 1.721 -0.961) 1.971 3.913 ( 0.000 14.463 3.937) 14.989 5.469 ( -0.000 -3.785 -1.952) 4.259 5.569 ( 0.000 5.593 0.077) 5.593 6.548 ( -0.000 22.404 -10.598) 24.784 6.680 ( 0.000 -4.257 2.136) 4.762 6.769 ( -0.000 -1.515 0.475) 1.587 8.441 ( 0.000 -11.717 6.905) 13.601 8.906 ( -0.000 -4.138 -8.968) 9.877 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 4.193 13.705 2.977) 14.637 1.658 ( 1.381 7.996 8.895) 12.040 2.284 ( 5.258 24.115 -6.450) 25.510 3.656 ( 3.248 2.763 -0.904) 4.359 4.122 ( 5.164 14.797 5.108) 16.484 5.416 ( -0.896 -3.929 -0.407) 4.050 5.710 ( 7.470 7.205 0.466) 10.388 6.629 ( -1.154 -4.610 2.657) 5.445 6.723 ( -0.883 3.025 -2.116) 3.796 6.804 ( 6.299 12.419 -5.456) 14.955 8.324 ( -1.671 -12.495 6.577) 14.219 8.757 ( -8.125 -4.638 -10.172) 13.820 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 1.402 7.525 1.870) 7.880 1.874 ( 7.016 15.641 3.444) 17.485 2.642 ( 11.291 21.871 -4.280) 24.983 3.744 ( 2.918 4.642 -0.886) 5.554 4.391 ( 8.809 11.112 3.140) 14.524 5.357 ( -1.204 -4.835 0.905) 5.064 5.938 ( 9.017 9.245 -0.262) 12.917 6.568 ( -1.611 -4.178 2.360) 5.062 6.702 ( -1.383 0.817 -0.539) 1.694 7.018 ( 6.422 7.177 -5.248) 10.968 8.205 ( -1.092 -11.928 7.606) 14.189 8.500 ( -12.038 -2.327 -9.999) 15.821 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 3.056 7.413 0.440) 8.030 2.166 ( 6.566 16.986 2.229) 18.347 3.040 ( 12.858 17.162 -2.075) 21.544 3.840 ( 2.089 6.859 -0.769) 7.211 4.640 ( 9.169 6.049 0.660) 11.005 5.279 ( -1.916 -6.373 1.005) 6.730 6.183 ( 8.085 10.562 -0.938) 13.334 6.516 ( -0.834 -3.061 1.283) 3.422 6.702 ( -0.779 3.360 0.091) 3.451 7.099 ( 1.320 -0.200 -5.074) 5.247 8.023 ( -9.651 -11.299 1.719) 14.959 8.361 ( 0.022 1.736 -1.041) 2.024 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 3.475 6.586 -0.021) 7.447 2.435 ( 4.261 16.799 1.993) 17.445 3.368 ( 8.944 11.181 -2.160) 14.480 3.946 ( 1.044 9.553 -1.177) 9.682 4.806 ( 4.463 1.405 -0.754) 4.740 5.193 ( 1.222 -7.362 1.639) 7.640 6.407 ( 6.041 10.596 -1.043) 12.242 6.495 ( 0.891 -1.642 0.054) 1.869 6.741 ( -0.219 5.783 0.585) 5.817 7.058 ( -1.776 -2.270 -4.393) 5.254 7.748 ( -10.541 -7.153 0.971) 12.776 8.438 ( 5.494 -0.067 2.044) 5.862 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 2.500 5.176 -0.559) 5.775 2.649 ( 0.817 15.946 2.176) 16.114 3.533 ( 2.338 4.820 -4.033) 6.706 4.042 ( -1.579 11.138 -2.707) 11.570 4.781 ( -3.810 -2.475 -2.849) 5.363 5.247 ( 9.728 -5.677 6.084) 12.801 6.507 ( 0.939 0.093 -0.183) 0.961 6.588 ( 4.170 9.227 -1.034) 10.178 6.811 ( 1.292 6.192 0.674) 6.361 6.979 ( -3.906 -1.056 -3.873) 5.601 7.560 ( -5.525 -3.897 3.425) 7.579 8.520 ( 4.704 -2.698 0.443) 5.440 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 14.045 0.673) 14.061 1.737 ( 0.000 6.328 2.843) 6.937 2.468 ( 0.000 25.290 -6.987) 26.238 3.645 ( 0.000 2.833 -0.144) 2.837 4.271 ( 0.000 17.451 6.208) 18.522 5.384 ( -0.000 -4.615 1.231) 4.776 5.731 ( 0.000 9.505 3.081) 9.992 6.603 ( 0.000 -4.624 3.122) 5.579 6.730 ( -0.000 -1.924 -1.494) 2.435 6.870 ( 0.000 14.157 -4.437) 14.836 8.223 ( -0.000 -13.862 5.080) 14.764 8.748 ( -0.000 -4.210 -11.593) 12.334 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.095 7.033 -1.638) 7.222 1.893 ( 7.504 13.436 0.055) 15.390 2.726 ( 4.208 23.387 -4.617) 24.207 3.714 ( 3.993 3.465 -0.153) 5.289 4.466 ( 0.738 15.783 4.634) 16.466 5.334 ( -1.032 -4.992 2.654) 5.747 5.904 ( 6.392 10.726 3.214) 12.893 6.561 ( -1.127 -3.871 2.924) 4.980 6.707 ( 0.205 -0.855 -2.088) 2.265 6.999 ( 2.763 7.246 -2.342) 8.101 8.104 ( 0.203 -13.332 4.918) 14.212 8.609 ( -6.989 -2.174 -11.540) 13.666 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 2.227 6.780 -1.782) 7.355 2.190 ( 9.859 14.889 0.059) 17.857 3.035 ( 8.060 19.118 -1.676) 20.815 3.835 ( 5.237 4.945 -0.282) 7.209 4.630 ( 1.793 10.884 1.518) 11.134 5.262 ( -2.506 -5.649 2.598) 6.704 6.153 ( 8.138 11.400 1.875) 14.132 6.512 ( -1.481 -2.766 1.821) 3.627 6.719 ( 1.574 1.696 -1.521) 2.769 7.065 ( 1.152 0.395 -1.968) 2.315 7.990 ( -1.027 -13.274 3.811) 13.848 8.441 ( -6.962 2.209 -7.481) 10.455 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 3.307 6.454 -0.585) 7.276 2.500 ( 8.256 15.445 0.413) 17.518 3.338 ( 8.039 13.116 -0.310) 15.387 3.989 ( 5.165 8.444 -0.216) 9.901 4.757 ( 3.439 5.467 -0.061) 6.459 5.147 ( -4.054 -7.279 0.919) 8.382 6.398 ( 6.538 10.313 0.092) 12.211 6.480 ( 0.034 -0.494 0.946) 1.068 6.780 ( 2.065 4.440 -0.461) 4.918 7.046 ( -0.732 -2.181 -1.834) 2.942 7.812 ( -5.952 -10.606 0.625) 12.178 8.396 ( -0.056 2.291 -0.962) 2.485 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 2.681 5.366 -0.017) 5.998 2.770 ( 4.978 15.394 1.252) 16.227 3.533 ( 3.292 6.333 -1.247) 7.246 4.163 ( 2.135 12.848 -1.412) 13.100 4.821 ( -2.345 1.436 -2.153) 3.492 5.045 ( 4.783 -9.089 3.121) 10.734 6.469 ( 1.501 -0.015 -0.464) 1.572 6.618 ( 4.645 9.997 -0.451) 11.033 6.848 ( 0.510 2.797 0.964) 3.002 7.019 ( -0.686 2.141 -1.708) 2.823 7.622 ( -5.940 -6.272 0.966) 8.692 8.430 ( 2.590 -1.488 0.534) 3.034 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.000 5.422 -4.864) 7.284 1.941 ( 0.000 13.517 -1.598) 13.611 2.901 ( 0.000 21.192 -3.168) 21.427 3.712 ( 0.000 3.679 0.616) 3.730 4.640 ( 0.000 14.948 3.840) 15.433 5.309 ( 0.000 -4.240 4.172) 5.949 5.972 ( 0.000 11.595 4.928) 12.599 6.550 ( 0.000 -2.612 3.238) 4.161 6.677 ( -0.000 -1.686 -3.271) 3.680 7.032 ( 0.000 3.912 -0.295) 3.923 7.983 ( -0.000 -12.854 2.915) 13.180 8.613 ( -0.000 -0.810 -11.489) 11.517 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 1.345 5.878 -4.016) 7.245 2.149 ( 8.946 12.721 -1.889) 15.666 3.116 ( 3.505 17.404 -0.588) 17.763 3.789 ( 4.207 3.908 0.549) 5.768 4.756 ( -1.817 9.563 1.737) 9.888 5.275 ( -2.251 -2.057 3.770) 4.849 6.155 ( 5.552 11.513 4.236) 13.465 6.525 ( -1.679 -1.341 2.235) 3.100 6.678 ( 2.807 -0.146 -2.825) 3.985 7.053 ( 0.099 -0.525 0.509) 0.738 7.872 ( 0.348 -12.160 1.493) 12.256 8.539 ( -4.511 2.025 -8.602) 9.921 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 3.270 5.867 -1.508) 6.884 2.455 ( 12.111 12.301 -1.739) 17.349 3.349 ( 5.688 12.319 1.498) 13.651 3.936 ( 7.737 5.126 0.757) 9.312 4.796 ( -0.928 3.512 1.156) 3.813 5.200 ( -6.369 -0.489 0.335) 6.397 6.390 ( 7.012 10.696 2.120) 12.964 6.491 ( -1.534 -0.246 1.003) 1.849 6.751 ( 4.771 2.686 -1.459) 5.666 7.031 ( -0.604 -2.851 0.894) 3.049 7.754 ( -0.994 -11.224 -0.320) 11.273 8.467 ( -4.392 3.685 -3.636) 6.789 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -0.000 5.501 -3.915) 6.752 2.178 ( 0.000 11.425 -1.751) 11.559 3.244 ( 0.000 13.869 1.457) 13.945 3.791 ( 0.000 3.630 0.799) 3.717 4.837 ( 0.000 1.859 1.691) 2.513 5.319 ( 0.000 3.818 2.093) 4.354 6.231 ( 0.000 10.506 4.508) 11.432 6.553 ( 0.000 1.117 2.874) 3.083 6.627 ( -0.000 -0.610 -3.611) 3.662 7.044 ( 0.000 -2.420 1.745) 2.984 7.758 ( -0.000 -10.442 -1.019) 10.492 8.573 ( -0.000 2.807 -6.665) 7.232 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 2.211 5.519 -1.265) 6.079 2.362 ( 9.259 9.967 -1.749) 13.716 3.395 ( 2.745 9.632 3.719) 10.683 3.869 ( 4.829 3.508 0.938) 6.042 4.823 ( -0.985 -2.986 2.472) 4.000 5.332 ( -4.845 5.969 -2.333) 8.034 6.383 ( 5.344 7.980 2.042) 9.818 6.540 ( -2.940 1.998 1.183) 3.747 6.682 ( 5.100 2.596 -0.579) 5.752 7.014 ( -0.538 -3.898 2.418) 4.618 7.656 ( -0.165 -8.851 -2.855) 9.301 8.560 ( -3.071 3.579 -3.125) 5.657 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.000 5.472 0.604) 5.505 2.364 ( 0.000 8.129 -0.856) 8.174 3.469 ( 0.000 6.544 6.461) 9.196 3.857 ( 0.000 2.453 0.437) 2.492 4.797 ( 0.000 -5.213 3.225) 6.130 5.424 ( -0.000 6.062 -6.202) 8.672 6.387 ( -0.000 2.799 -1.666) 3.257 6.637 ( 0.000 5.347 3.005) 6.134 6.645 ( 0.000 4.292 1.568) 4.570 6.985 ( 0.000 -4.885 2.879) 5.671 7.570 ( -0.000 -6.044 -5.001) 7.844 8.614 ( 0.000 3.362 -0.893) 3.479 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 -0.000 13.115) 13.115 1.033 ( 0.000 -0.000 13.115) 13.115 1.714 ( 0.000 -0.000 23.283) 23.283 3.578 ( -0.000 0.000 -1.524) 1.524 3.578 ( -0.000 0.000 -1.524) 1.524 5.515 ( -0.000 0.000 -3.832) 3.832 5.515 ( -0.000 0.000 -3.832) 3.832 5.847 ( -0.000 0.000 -12.420) 12.420 6.781 ( 0.000 -0.000 2.557) 2.557 6.781 ( 0.000 -0.000 2.557) 2.557 8.661 ( 0.000 -0.000 8.477) 8.477 9.025 ( -0.000 0.000 -4.420) 4.420 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 5.277 3.047 11.078) 12.643 1.270 ( 13.085 7.555 12.799) 19.802 1.781 ( 0.690 0.399 12.569) 12.594 3.586 ( 1.026 0.592 -1.522) 1.928 3.679 ( 9.267 5.350 0.576) 10.716 5.489 ( -0.204 -0.118 -3.722) 3.729 5.582 ( 4.895 2.826 -4.664) 7.328 6.045 ( 19.041 10.993 -11.961) 25.029 6.753 ( -2.243 -1.295 2.925) 3.907 6.787 ( -1.054 -0.608 1.254) 1.747 8.633 ( -4.784 -2.762 8.577) 10.202 8.955 ( -5.103 -2.946 -5.928) 8.358 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 9.944 5.741 7.450) 13.687 1.542 ( 3.104 1.792 17.671) 18.031 1.954 ( 16.469 9.508 -5.039) 19.673 3.615 ( 1.952 1.127 -1.431) 2.670 3.979 ( 15.431 8.909 2.893) 18.052 5.461 ( -1.098 -0.634 -2.977) 3.236 5.705 ( 7.296 4.212 -5.248) 9.925 6.506 ( 21.383 12.346 -9.340) 26.398 6.702 ( -3.002 -1.733 3.281) 4.773 6.748 ( -1.831 -1.057 0.064) 2.115 8.515 ( -7.543 -4.355 8.882) 12.440 8.747 ( -11.026 -6.366 -7.321) 14.686 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 12.140 7.009 4.317) 14.668 1.623 ( 2.364 1.365 9.041) 9.444 2.411 ( 22.320 12.887 -3.463) 26.005 3.665 ( 2.780 1.605 -1.278) 3.456 4.351 ( 15.490 8.943 2.310) 18.035 5.422 ( -1.723 -0.995 -1.699) 2.616 5.875 ( 9.103 5.256 -5.356) 11.798 6.646 ( -2.829 -1.633 3.570) 4.839 6.649 ( -2.820 -1.628 -0.170) 3.261 6.939 ( 14.093 8.137 -7.828) 18.058 8.393 ( -5.141 -2.968 10.350) 11.932 8.421 ( -14.465 -8.351 -7.709) 18.396 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 5.572 3.217 3.995) 7.573 1.898 ( 12.069 6.968 2.388) 14.139 2.890 ( 19.689 11.368 -1.857) 22.811 3.730 ( 3.212 1.854 -1.090) 3.866 4.670 ( 11.506 6.643 1.162) 13.336 5.367 ( -2.551 -1.473 -1.404) 3.263 6.076 ( 9.704 5.602 -4.752) 12.171 6.589 ( -1.819 -1.050 -0.596) 2.184 6.604 ( -1.737 -1.003 3.524) 4.054 7.108 ( 3.068 1.771 -7.155) 7.984 8.054 ( -14.938 -8.625 -3.421) 17.585 8.397 ( 2.352 1.358 8.251) 8.686 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 6.009 3.469 1.359) 7.070 2.161 ( 10.187 5.881 1.425) 11.848 3.267 ( 13.475 7.780 -3.009) 15.848 3.799 ( 3.016 1.741 -0.819) 3.578 4.848 ( 2.689 1.552 -0.372) 3.127 5.327 ( 0.758 0.438 0.385) 0.956 6.269 ( 7.812 4.511 -2.742) 9.428 6.576 ( 1.228 0.709 -1.575) 2.119 6.596 ( 0.393 0.227 2.218) 2.264 7.080 ( -2.544 -1.469 -5.258) 6.023 7.747 ( -11.122 -6.421 1.132) 12.892 8.514 ( 4.750 2.743 4.920) 7.369 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.000 7.599 7.684) 10.807 1.274 ( 0.000 15.275 11.790) 19.296 1.845 ( 0.000 1.254 10.865) 10.937 3.575 ( -0.000 0.817 -1.119) 1.385 3.674 ( 0.000 9.837 0.510) 9.850 5.492 ( -0.000 1.974 -1.161) 2.290 5.507 ( -0.000 -1.111 -4.364) 4.503 6.028 ( -0.000 23.046 -10.874) 25.483 6.760 ( 0.000 -2.797 2.341) 3.647 6.796 ( 0.000 -0.788 1.129) 1.377 8.655 ( 0.000 -6.545 8.264) 10.542 8.955 ( -0.000 -3.323 -6.552) 7.347 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 3.487 10.828 5.765) 12.753 1.558 ( 7.071 9.588 14.903) 19.079 1.890 ( 1.881 9.772 -3.356) 10.502 3.604 ( 1.641 2.075 -1.060) 2.850 3.866 ( 8.762 12.056 2.504) 15.113 5.459 ( -1.022 -1.089 -2.477) 2.892 5.601 ( 6.986 3.541 -2.216) 8.140 6.346 ( 12.189 22.517 -8.299) 26.916 6.723 ( -1.472 -3.559 2.470) 4.576 6.773 ( -1.546 -1.249 0.190) 1.996 8.571 ( -3.392 -9.276 8.282) 12.889 8.827 ( -7.213 -5.113 -7.997) 11.922 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 6.756 11.601 3.744) 13.937 1.679 ( -0.577 3.592 9.600) 10.267 2.213 ( 16.653 19.173 -4.357) 25.767 3.656 ( 1.497 3.716 -0.965) 4.121 4.189 ( 13.706 10.360 1.892) 17.285 5.421 ( -0.934 -1.972 -1.323) 2.552 5.773 ( 8.036 6.708 -3.286) 10.972 6.657 ( -1.686 -2.817 1.532) 3.623 6.684 ( 1.386 2.363 -0.196) 2.746 6.794 ( 9.320 10.514 -4.808) 14.850 8.442 ( -3.423 -8.730 9.003) 12.999 8.563 ( -13.031 -6.852 -8.109) 16.808 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 3.121 4.551 4.046) 6.842 1.858 ( 6.954 14.359 3.166) 16.265 2.693 ( 18.337 16.648 -1.367) 24.804 3.722 ( 1.571 4.776 -0.873) 5.103 4.516 ( 13.488 6.961 0.101) 15.179 5.372 ( -1.609 -3.149 -1.111) 3.707 5.979 ( 8.269 8.897 -3.876) 12.750 6.588 ( -1.930 -3.606 0.797) 4.167 6.663 ( -2.345 0.828 1.615) 2.965 7.033 ( 6.423 5.235 -5.550) 9.972 8.217 ( -15.024 -8.108 -5.057) 17.806 8.387 ( 1.246 -3.732 8.652) 9.504 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 4.340 5.330 2.684) 7.379 2.129 ( 6.552 14.189 2.113) 15.771 3.120 ( 14.306 12.520 -1.286) 19.054 3.796 ( 1.448 5.491 -0.850) 5.742 4.766 ( 8.983 2.925 -0.323) 9.453 5.303 ( -0.768 -3.848 -1.682) 4.269 6.196 ( 7.515 9.542 -3.686) 12.693 6.539 ( -0.039 -2.587 -0.376) 2.614 6.653 ( -1.760 3.143 1.953) 4.097 7.078 ( -0.498 -0.727 -4.280) 4.369 7.887 ( -12.811 -6.869 -1.330) 14.597 8.458 ( 5.297 -0.639 6.960) 8.769 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 11.226 2.130) 11.427 1.647 ( 0.000 8.362 12.834) 15.317 1.983 ( -0.000 16.591 -7.982) 18.411 3.597 ( 0.000 1.927 -0.410) 1.970 3.954 ( 0.000 16.158 3.916) 16.626 5.448 ( -0.000 -2.250 -1.974) 2.993 5.580 ( 0.000 6.539 2.052) 6.854 6.463 ( 0.000 24.415 -6.210) 25.193 6.704 ( 0.000 -4.341 2.443) 4.981 6.768 ( -0.000 -2.094 -0.660) 2.196 8.513 ( 0.000 -12.674 7.236) 14.595 8.811 ( -0.000 -5.454 -9.523) 10.974 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 4.708 12.294 0.782) 13.188 1.732 ( 1.055 2.695 5.080) 5.847 2.220 ( 6.374 24.826 -5.482) 26.211 3.649 ( 2.981 2.940 -0.335) 4.200 4.168 ( 4.266 15.635 3.708) 16.626 5.412 ( -0.844 -2.515 -0.285) 2.668 5.720 ( 5.925 8.487 1.646) 10.480 6.656 ( -1.318 -4.527 2.208) 5.207 6.697 ( 1.383 8.717 -2.191) 9.094 6.768 ( 4.341 7.779 -2.079) 9.148 8.394 ( -0.868 -13.329 7.318) 15.231 8.653 ( -7.731 -5.841 -10.397) 14.212 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 2.171 5.537 0.694) 5.988 1.899 ( 7.349 14.047 1.357) 15.911 2.611 ( 12.325 22.118 -1.652) 25.374 3.738 ( 2.826 4.735 -0.323) 5.524 4.413 ( 7.398 11.289 1.108) 13.542 5.363 ( -1.587 -3.654 0.289) 3.994 5.936 ( 7.416 10.623 -0.092) 12.956 6.588 ( -2.061 -4.122 1.157) 4.752 6.697 ( -0.557 0.244 -0.326) 0.690 6.980 ( 5.465 8.051 -2.009) 9.935 8.282 ( -1.855 -13.787 7.018) 15.581 8.405 ( -8.947 -1.943 -7.862) 12.068 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 3.633 6.110 1.258) 7.219 2.184 ( 6.989 16.419 1.235) 17.887 3.027 ( 12.891 17.163 -0.281) 21.467 3.835 ( 1.916 6.931 -0.289) 7.197 4.640 ( 8.746 6.119 -0.536) 10.687 5.280 ( -2.628 -5.506 -0.825) 6.157 6.170 ( 7.043 11.776 -1.525) 13.806 6.522 ( -1.325 -3.011 -0.158) 3.293 6.707 ( -0.074 2.743 0.835) 2.868 7.063 ( 0.568 0.524 -1.742) 1.905 8.021 ( -11.619 -9.559 -2.017) 15.181 8.379 ( 4.054 -1.277 4.370) 6.096 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 13.260 -1.292) 13.323 1.745 ( -0.000 1.956 -1.486) 2.457 2.410 ( 0.000 26.324 -4.125) 26.645 3.646 ( 0.000 3.068 0.437) 3.099 4.326 ( 0.000 17.638 4.430) 18.186 5.394 ( -0.000 -2.936 1.004) 3.103 5.770 ( 0.000 10.136 4.503) 11.092 6.631 ( 0.000 -4.248 2.193) 4.781 6.710 ( -0.000 -2.533 -2.484) 3.547 6.847 ( 0.000 15.421 0.137) 15.422 8.279 ( -0.000 -14.928 5.986) 16.084 8.627 ( -0.000 -5.002 -12.007) 13.008 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.917 5.276 -3.087) 6.181 1.884 ( 8.403 12.704 -1.850) 15.343 2.694 ( 4.857 24.150 -1.645) 24.688 3.715 ( 3.628 3.656 0.414) 5.167 4.503 ( -0.200 15.282 2.611) 15.505 5.357 ( -1.364 -3.598 1.874) 4.280 5.940 ( 5.115 11.334 3.804) 13.003 6.584 ( -1.570 -3.723 1.490) 4.306 6.684 ( 0.848 -1.317 -2.293) 2.777 6.995 ( 2.155 7.831 1.725) 8.303 8.159 ( 0.913 -14.984 5.817) 16.099 8.492 ( -6.034 -1.717 -11.354) 12.972 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -0.000 5.081 -5.134) 7.223 1.922 ( 0.000 13.473 -2.183) 13.649 2.883 ( 0.000 22.284 -0.444) 22.288 3.720 ( 0.000 3.755 0.941) 3.871 4.668 ( 0.000 13.785 1.554) 13.872 5.345 ( 0.000 -3.182 2.902) 4.306 6.024 ( 0.000 11.647 5.283) 12.789 6.576 ( 0.000 -2.372 1.925) 3.055 6.641 ( -0.000 -2.046 -3.706) 4.233 7.051 ( 0.000 3.829 3.882) 5.452 8.017 ( -0.000 -14.877 3.670) 15.323 8.498 ( -0.000 0.778 -10.986) 11.013 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.000 -0.000 8.292) 8.292 1.142 ( 0.000 -0.000 8.292) 8.292 1.910 ( 0.000 -0.000 15.158) 15.158 3.564 ( -0.000 0.000 -1.128) 1.128 3.564 ( -0.000 0.000 -1.128) 1.128 5.483 ( -0.000 0.000 -2.513) 2.513 5.483 ( -0.000 0.000 -2.513) 2.513 5.738 ( -0.000 0.000 -8.743) 8.743 6.802 ( 0.000 -0.000 1.653) 1.653 6.802 ( 0.000 -0.000 1.653) 1.653 8.744 ( 0.000 -0.000 7.779) 7.779 8.976 ( -0.000 0.000 -5.153) 5.153 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 4.720 2.725 6.920) 8.808 1.370 ( 15.333 8.852 6.630) 18.905 1.884 ( -5.241 -3.026 7.698) 9.792 3.573 ( 0.987 0.570 -1.061) 1.557 3.684 ( 10.395 6.002 0.380) 12.009 5.459 ( -0.467 -0.269 -2.046) 2.116 5.538 ( 4.333 2.502 -3.815) 6.292 5.952 ( 19.086 11.019 -6.252) 22.908 6.779 ( -1.934 -1.116 2.142) 3.094 6.796 ( -1.487 -0.858 0.344) 1.751 8.719 ( -4.430 -2.558 8.308) 9.756 8.891 ( -5.868 -3.388 -6.622) 9.474 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 9.073 5.239 4.759) 11.507 1.711 ( -0.194 -0.112 14.861) 14.863 1.889 ( 17.469 10.086 -7.241) 21.432 3.603 ( 1.930 1.114 -0.987) 2.437 3.996 ( 15.655 9.038 0.428) 18.082 5.438 ( -0.856 -0.494 -1.414) 1.725 5.653 ( 6.971 4.025 -4.811) 9.378 6.438 ( 22.082 12.749 -4.005) 25.811 6.733 ( -2.708 -1.564 2.668) 4.111 6.743 ( -2.649 -1.529 -1.055) 3.236 8.604 ( -7.969 -4.601 7.647) 11.964 8.676 ( -10.344 -5.972 -5.649) 13.213 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 11.468 6.621 3.059) 13.591 1.704 ( 0.462 0.267 6.465) 6.487 2.390 ( 23.079 13.324 -0.309) 26.651 3.653 ( 2.774 1.602 -0.958) 3.344 4.356 ( 15.368 8.873 -1.283) 17.792 5.406 ( -1.724 -0.996 -1.328) 2.393 5.820 ( 9.085 5.245 -5.315) 11.760 6.645 ( -2.998 -1.731 -0.701) 3.532 6.681 ( -2.606 -1.504 3.234) 4.417 6.874 ( 13.744 7.935 -4.836) 16.591 8.344 ( -13.470 -7.777 -6.985) 17.050 8.507 ( -5.201 -3.003 11.658) 13.114 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 6.280 2.966) 6.945 1.368 ( 0.000 17.137 6.554) 18.348 1.922 ( 0.000 -5.105 4.376) 6.724 3.567 ( -0.000 0.941 -0.489) 1.060 3.680 ( 0.000 11.399 0.639) 11.417 5.468 ( -0.000 -0.861 -3.007) 3.128 5.490 ( 0.000 3.021 0.713) 3.104 5.945 ( 0.000 22.709 -5.436) 23.351 6.781 ( 0.000 -2.601 1.704) 3.110 6.802 ( -0.000 -1.283 0.009) 1.283 8.737 ( 0.000 -6.387 7.809) 10.088 8.885 ( -0.000 -4.715 -7.164) 8.577 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 4.366 9.239 2.025) 10.417 1.687 ( 11.147 15.582 9.495) 21.382 1.840 ( -2.765 0.313 -5.521) 6.183 3.596 ( 1.441 2.228 -0.396) 2.683 3.885 ( 8.343 13.208 1.002) 15.654 5.441 ( -0.742 -0.874 -0.953) 1.491 5.585 ( 4.828 5.299 -0.819) 7.215 6.290 ( 12.821 22.770 -2.806) 26.282 6.744 ( -1.523 -3.465 1.389) 4.031 6.771 ( -1.456 -1.612 -0.428) 2.214 8.655 ( -3.057 -9.769 8.081) 13.042 8.745 ( -6.785 -5.915 -7.984) 12.032 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 7.236 10.632 1.616) 12.962 1.746 ( -1.174 0.983 2.860) 3.244 2.188 ( 18.326 19.558 0.229) 26.803 3.649 ( 1.320 3.886 -0.359) 4.119 4.193 ( 12.684 10.887 -1.114) 16.753 5.412 ( -1.111 -1.642 -0.445) 2.032 5.742 ( 6.326 8.197 -2.659) 10.690 6.664 ( -0.619 -0.089 0.281) 0.686 6.688 ( 3.826 2.135 0.266) 4.390 6.762 ( 5.575 8.067 -1.295) 9.891 8.470 ( -11.293 -6.632 -6.982) 14.842 8.551 ( -3.290 -9.903 9.104) 13.848 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 10.409 -1.401) 10.503 1.762 ( 0.000 0.939 8.301) 8.354 1.885 ( -0.000 19.864 -9.889) 22.189 3.596 ( 0.000 2.112 0.306) 2.134 3.987 ( 0.000 17.452 2.252) 17.597 5.434 ( -0.000 -1.278 -0.613) 1.417 5.610 ( 0.000 7.392 3.697) 8.265 6.424 ( 0.000 25.374 -1.288) 25.407 6.727 ( 0.000 -3.851 2.008) 4.343 6.756 ( -0.000 -2.649 -1.746) 3.173 8.587 ( 0.000 -13.324 6.994) 15.048 8.715 ( -0.000 -6.660 -9.246) 11.395 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 -0.000 2.842) 2.842 1.199 ( 0.000 -0.000 2.842) 2.842 2.015 ( 0.000 -0.000 5.291) 5.291 3.556 ( -0.000 0.000 -0.419) 0.419 3.556 ( -0.000 0.000 -0.419) 0.419 5.466 ( -0.000 0.000 -0.873) 0.873 5.466 ( -0.000 0.000 -0.873) 0.873 5.677 ( -0.000 0.000 -3.169) 3.169 6.814 ( 0.000 -0.000 0.570) 0.570 6.814 ( 0.000 -0.000 0.570) 0.570 8.812 ( 0.000 -0.000 5.010) 5.010 8.926 ( -0.000 0.000 -4.103) 4.103 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 4.801 2.772 2.075) 5.920 1.403 ( 15.894 9.177 -0.155) 18.354 1.934 ( -6.961 -4.019 1.990) 8.281 3.566 ( 0.914 0.527 -0.318) 1.102 3.685 ( 10.623 6.133 -0.196) 12.268 5.450 ( -0.645 -0.372 0.482) 0.887 5.506 ( 3.535 2.041 -2.442) 4.757 5.919 ( 19.381 11.190 -0.318) 22.381 6.794 ( -1.900 -1.097 -0.727) 2.312 6.796 ( -1.541 -0.890 1.120) 2.103 8.793 ( -2.997 -1.730 2.952) 4.549 8.829 ( -7.214 -4.165 -2.415) 8.673 =================== 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 3/40500 10.0 995.590 995.590 2470.067 -0.000 0.000 -0.000 3/40500 20.0 435.500 435.500 506.189 -0.000 0.000 -0.000 3/40500 30.0 191.008 191.008 170.147 -0.000 0.000 -0.000 3/40500 40.0 105.210 105.210 74.706 -0.000 0.000 -0.000 3/40500 50.0 67.842 67.842 41.080 0.000 -0.000 -0.000 3/40500 60.0 48.092 48.092 26.405 0.000 -0.000 -0.000 3/40500 70.0 36.476 36.476 18.865 0.000 -0.000 -0.000 3/40500 80.0 29.101 29.101 14.496 0.000 -0.000 -0.000 3/40500 90.0 24.119 24.119 11.724 0.000 -0.000 -0.000 3/40500 100.0 20.575 20.575 9.838 0.000 -0.000 -0.000 3/40500 110.0 17.945 17.945 8.484 0.000 -0.000 -0.000 3/40500 120.0 15.923 15.923 7.468 0.000 -0.000 -0.000 3/40500 130.0 14.324 14.324 6.679 0.000 -0.000 -0.000 3/40500 140.0 13.027 13.027 6.049 0.000 -0.000 -0.000 3/40500 150.0 11.955 11.955 5.534 0.000 -0.000 -0.000 3/40500 160.0 11.053 11.053 5.104 0.000 -0.000 -0.000 3/40500 170.0 10.284 10.284 4.739 0.000 -0.000 -0.000 3/40500 180.0 9.619 9.619 4.426 0.000 -0.000 -0.000 3/40500 190.0 9.038 9.038 4.154 0.000 -0.000 -0.000 3/40500 200.0 8.527 8.527 3.916 0.000 -0.000 -0.000 3/40500 210.0 8.072 8.072 3.704 0.000 -0.000 -0.000 3/40500 220.0 7.666 7.666 3.515 0.000 -0.000 -0.000 3/40500 230.0 7.300 7.300 3.346 0.000 -0.000 -0.000 3/40500 240.0 6.968 6.968 3.192 0.000 -0.000 -0.000 3/40500 250.0 6.666 6.666 3.053 0.000 -0.000 -0.000 3/40500 260.0 6.391 6.391 2.926 0.000 -0.000 -0.000 3/40500 270.0 6.137 6.137 2.809 0.000 -0.000 -0.000 3/40500 280.0 5.904 5.904 2.702 0.000 -0.000 -0.000 3/40500 290.0 5.688 5.688 2.602 0.000 -0.000 -0.000 3/40500 300.0 5.488 5.488 2.510 0.000 -0.000 -0.000 3/40500 310.0 5.302 5.302 2.425 0.000 -0.000 -0.000 3/40500 320.0 5.129 5.129 2.345 0.000 -0.000 -0.000 3/40500 330.0 4.966 4.966 2.271 0.000 -0.000 -0.000 3/40500 340.0 4.814 4.814 2.201 0.000 -0.000 -0.000 3/40500 350.0 4.671 4.671 2.135 0.000 -0.000 -0.000 3/40500 360.0 4.537 4.537 2.074 0.000 -0.000 -0.000 3/40500 370.0 4.410 4.410 2.015 0.000 -0.000 -0.000 3/40500 380.0 4.290 4.290 1.961 0.000 -0.000 -0.000 3/40500 390.0 4.177 4.177 1.909 0.000 -0.000 -0.000 3/40500 400.0 4.069 4.069 1.859 0.000 -0.000 -0.000 3/40500 410.0 3.967 3.967 1.813 0.000 -0.000 -0.000 3/40500 420.0 3.870 3.870 1.768 0.000 -0.000 -0.000 3/40500 430.0 3.778 3.778 1.726 0.000 -0.000 -0.000 3/40500 440.0 3.690 3.690 1.686 0.000 -0.000 -0.000 3/40500 450.0 3.606 3.606 1.648 0.000 -0.000 -0.000 3/40500 460.0 3.526 3.526 1.611 0.000 -0.000 -0.000 3/40500 470.0 3.450 3.450 1.576 0.000 -0.000 -0.000 3/40500 480.0 3.377 3.377 1.542 0.000 -0.000 -0.000 3/40500 490.0 3.307 3.307 1.510 0.000 -0.000 -0.000 3/40500 500.0 3.239 3.239 1.480 0.000 -0.000 -0.000 3/40500 510.0 3.175 3.175 1.450 0.000 -0.000 -0.000 3/40500 520.0 3.113 3.113 1.422 0.000 -0.000 -0.000 3/40500 530.0 3.053 3.053 1.394 0.000 -0.000 -0.000 3/40500 540.0 2.996 2.996 1.368 0.000 -0.000 -0.000 3/40500 550.0 2.941 2.941 1.343 0.000 -0.000 -0.000 3/40500 560.0 2.887 2.887 1.319 0.000 -0.000 -0.000 3/40500 570.0 2.836 2.836 1.295 0.000 -0.000 -0.000 3/40500 580.0 2.787 2.787 1.273 0.000 -0.000 -0.000 3/40500 590.0 2.739 2.739 1.251 0.000 -0.000 -0.000 3/40500 600.0 2.693 2.693 1.230 0.000 -0.000 -0.000 3/40500 610.0 2.648 2.648 1.209 0.000 -0.000 -0.000 3/40500 620.0 2.605 2.605 1.190 0.000 -0.000 -0.000 3/40500 630.0 2.563 2.563 1.170 0.000 -0.000 -0.000 3/40500 640.0 2.523 2.523 1.152 0.000 -0.000 -0.000 3/40500 650.0 2.484 2.484 1.134 0.000 -0.000 -0.000 3/40500 660.0 2.446 2.446 1.117 0.000 -0.000 -0.000 3/40500 670.0 2.409 2.409 1.100 0.000 -0.000 -0.000 3/40500 680.0 2.373 2.373 1.084 0.000 -0.000 -0.000 3/40500 690.0 2.339 2.339 1.068 0.000 -0.000 -0.000 3/40500 700.0 2.305 2.305 1.052 0.000 -0.000 -0.000 3/40500 710.0 2.272 2.272 1.037 0.000 -0.000 -0.000 3/40500 720.0 2.240 2.240 1.023 0.000 -0.000 -0.000 3/40500 730.0 2.210 2.210 1.009 0.000 -0.000 -0.000 3/40500 740.0 2.180 2.180 0.995 0.000 -0.000 -0.000 3/40500 750.0 2.150 2.150 0.982 0.000 -0.000 -0.000 3/40500 760.0 2.122 2.122 0.969 0.000 -0.000 -0.000 3/40500 770.0 2.094 2.094 0.956 0.000 -0.000 -0.000 3/40500 780.0 2.067 2.067 0.944 0.000 -0.000 -0.000 3/40500 790.0 2.041 2.041 0.932 0.000 -0.000 -0.000 3/40500 800.0 2.015 2.015 0.920 0.000 -0.000 -0.000 3/40500 810.0 1.990 1.990 0.909 0.000 -0.000 -0.000 3/40500 820.0 1.966 1.966 0.897 0.000 -0.000 -0.000 3/40500 830.0 1.942 1.942 0.887 0.000 -0.000 -0.000 3/40500 840.0 1.919 1.919 0.876 0.000 -0.000 -0.000 3/40500 850.0 1.896 1.896 0.866 0.000 -0.000 -0.000 3/40500 860.0 1.874 1.874 0.855 0.000 -0.000 -0.000 3/40500 870.0 1.852 1.852 0.846 0.000 -0.000 -0.000 3/40500 880.0 1.831 1.831 0.836 0.000 -0.000 -0.000 3/40500 890.0 1.811 1.811 0.827 0.000 -0.000 -0.000 3/40500 900.0 1.790 1.790 0.817 0.000 -0.000 -0.000 3/40500 910.0 1.771 1.771 0.808 0.000 -0.000 -0.000 3/40500 920.0 1.751 1.751 0.799 0.000 -0.000 -0.000 3/40500 930.0 1.732 1.732 0.791 0.000 -0.000 -0.000 3/40500 940.0 1.714 1.714 0.782 0.000 -0.000 -0.000 3/40500 950.0 1.696 1.696 0.774 0.000 -0.000 -0.000 3/40500 960.0 1.678 1.678 0.766 0.000 -0.000 -0.000 3/40500 970.0 1.661 1.661 0.758 0.000 -0.000 -0.000 3/40500 980.0 1.644 1.644 0.750 0.000 -0.000 -0.000 3/40500 990.0 1.627 1.627 0.743 0.000 -0.000 -0.000 3/40500 1000.0 1.611 1.611 0.735 0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:41:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|