----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:42:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.575684690000000 2.575684690000000 5.328036065000000 b 2.575684690000000 -2.575684690000000 5.328036065000000 c 2.575684690000000 2.575684690000000 -5.328036065000000 Atomic positions (fractional): *1 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 *3 F 0.13741807882455 0.25330369491308 0.55343429754310 18.998 4 F 0.33398378128145 0.38741807882455 0.38411438391147 18.998 5 F 0.05013060263002 0.66601621871855 0.05343429754310 18.998 6 F 0.74669630508692 0.30013060263002 0.88411438391147 18.998 7 F 0.41601621871855 0.86258192117545 0.11588561608853 18.998 8 F 0.61258192117545 0.99669630508692 0.94656570245690 18.998 9 F 0.69986939736998 0.58398378128145 0.44656570245690 18.998 10 F 0.00330369491308 0.94986939736998 0.61588561608853 18.998 *11 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 12 Y 0.75000000000000 0.25000000000000 0.50000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.151369380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.151369380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.656072130000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 2 3 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 1 4 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 *5 F 0.83465995681581 0.71877434072728 0.41864373809726 18.998 > 3 6 F 0.21877434072728 0.16534004318419 0.16864373809726 18.998 > 4 7 F 0.33465995681581 0.71877434072728 0.33135626190274 18.998 > 5 8 F 0.21877434072728 0.66534004318419 0.08135626190274 18.998 > 6 9 F 0.78122565927272 0.33465995681581 0.08135626190274 18.998 > 7 10 F 0.66534004318419 0.28122565927272 0.33135626190274 18.998 > 8 11 F 0.16534004318419 0.28122565927272 0.41864373809726 18.998 > 9 12 F 0.78122565927272 0.83465995681581 0.16864373809726 18.998 > 10 13 F 0.33465995681581 0.21877434072728 0.91864373809726 18.998 > 3 14 F 0.71877434072728 0.66534004318419 0.66864373809726 18.998 > 4 15 F 0.83465995681581 0.21877434072728 0.83135626190274 18.998 > 5 16 F 0.71877434072728 0.16534004318419 0.58135626190274 18.998 > 6 17 F 0.28122565927272 0.83465995681581 0.58135626190274 18.998 > 7 18 F 0.16534004318419 0.78122565927272 0.83135626190274 18.998 > 8 19 F 0.66534004318419 0.78122565927272 0.91864373809726 18.998 > 9 20 F 0.28122565927272 0.33465995681581 0.66864373809726 18.998 > 10 *21 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 11 22 Y 0.00000000000000 0.50000000000000 0.25000000000000 88.906 > 12 23 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 11 24 Y 0.50000000000000 0.00000000000000 0.75000000000000 88.906 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.302738760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.302738760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.656072130000000 Atomic positions (fractional): *1 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 1 3 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 1 4 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 2 6 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 2 7 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 2 8 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 2 9 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 1 10 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 1 11 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 1 12 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 1 13 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 14 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 2 15 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 2 16 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 *17 F 0.41732997840791 0.35938717036364 0.41864373809726 18.998 > 3 18 F 0.91732997840791 0.35938717036364 0.41864373809726 18.998 > 3 19 F 0.41732997840791 0.85938717036364 0.41864373809726 18.998 > 3 20 F 0.91732997840791 0.85938717036364 0.41864373809726 18.998 > 3 21 F 0.10938717036364 0.08267002159209 0.16864373809726 18.998 > 4 22 F 0.60938717036364 0.08267002159209 0.16864373809726 18.998 > 4 23 F 0.10938717036364 0.58267002159209 0.16864373809726 18.998 > 4 24 F 0.60938717036364 0.58267002159209 0.16864373809726 18.998 > 4 25 F 0.16732997840791 0.35938717036364 0.33135626190274 18.998 > 5 26 F 0.66732997840791 0.35938717036364 0.33135626190274 18.998 > 5 27 F 0.16732997840791 0.85938717036364 0.33135626190274 18.998 > 5 28 F 0.66732997840791 0.85938717036364 0.33135626190274 18.998 > 5 29 F 0.10938717036364 0.33267002159209 0.08135626190274 18.998 > 6 30 F 0.60938717036364 0.33267002159209 0.08135626190274 18.998 > 6 31 F 0.10938717036364 0.83267002159209 0.08135626190274 18.998 > 6 32 F 0.60938717036364 0.83267002159209 0.08135626190274 18.998 > 6 33 F 0.39061282963636 0.16732997840791 0.08135626190274 18.998 > 7 34 F 0.89061282963636 0.16732997840791 0.08135626190274 18.998 > 7 35 F 0.39061282963636 0.66732997840791 0.08135626190274 18.998 > 7 36 F 0.89061282963636 0.66732997840791 0.08135626190274 18.998 > 7 37 F 0.33267002159209 0.14061282963636 0.33135626190274 18.998 > 8 38 F 0.83267002159209 0.14061282963636 0.33135626190274 18.998 > 8 39 F 0.33267002159209 0.64061282963636 0.33135626190274 18.998 > 8 40 F 0.83267002159209 0.64061282963636 0.33135626190274 18.998 > 8 41 F 0.08267002159209 0.14061282963636 0.41864373809726 18.998 > 9 42 F 0.58267002159209 0.14061282963636 0.41864373809726 18.998 > 9 43 F 0.08267002159209 0.64061282963636 0.41864373809726 18.998 > 9 44 F 0.58267002159209 0.64061282963636 0.41864373809726 18.998 > 9 45 F 0.39061282963636 0.41732997840791 0.16864373809726 18.998 > 10 46 F 0.89061282963636 0.41732997840791 0.16864373809726 18.998 > 10 47 F 0.39061282963636 0.91732997840791 0.16864373809726 18.998 > 10 48 F 0.89061282963636 0.91732997840791 0.16864373809726 18.998 > 10 49 F 0.16732997840791 0.10938717036364 0.91864373809726 18.998 > 3 50 F 0.66732997840791 0.10938717036364 0.91864373809726 18.998 > 3 51 F 0.16732997840791 0.60938717036364 0.91864373809726 18.998 > 3 52 F 0.66732997840791 0.60938717036364 0.91864373809726 18.998 > 3 53 F 0.35938717036364 0.33267002159209 0.66864373809726 18.998 > 4 54 F 0.85938717036364 0.33267002159209 0.66864373809726 18.998 > 4 55 F 0.35938717036364 0.83267002159209 0.66864373809726 18.998 > 4 56 F 0.85938717036364 0.83267002159209 0.66864373809726 18.998 > 4 57 F 0.41732997840791 0.10938717036364 0.83135626190274 18.998 > 5 58 F 0.91732997840791 0.10938717036364 0.83135626190274 18.998 > 5 59 F 0.41732997840791 0.60938717036364 0.83135626190274 18.998 > 5 60 F 0.91732997840791 0.60938717036364 0.83135626190274 18.998 > 5 61 F 0.35938717036364 0.08267002159209 0.58135626190274 18.998 > 6 62 F 0.85938717036364 0.08267002159209 0.58135626190274 18.998 > 6 63 F 0.35938717036364 0.58267002159209 0.58135626190274 18.998 > 6 64 F 0.85938717036364 0.58267002159209 0.58135626190274 18.998 > 6 65 F 0.14061282963636 0.41732997840791 0.58135626190274 18.998 > 7 66 F 0.64061282963636 0.41732997840791 0.58135626190274 18.998 > 7 67 F 0.14061282963636 0.91732997840791 0.58135626190274 18.998 > 7 68 F 0.64061282963636 0.91732997840791 0.58135626190274 18.998 > 7 69 F 0.08267002159209 0.39061282963636 0.83135626190274 18.998 > 8 70 F 0.58267002159209 0.39061282963636 0.83135626190274 18.998 > 8 71 F 0.08267002159209 0.89061282963636 0.83135626190274 18.998 > 8 72 F 0.58267002159209 0.89061282963636 0.83135626190274 18.998 > 8 73 F 0.33267002159209 0.39061282963636 0.91864373809726 18.998 > 9 74 F 0.83267002159209 0.39061282963636 0.91864373809726 18.998 > 9 75 F 0.33267002159209 0.89061282963636 0.91864373809726 18.998 > 9 76 F 0.83267002159209 0.89061282963636 0.91864373809726 18.998 > 9 77 F 0.14061282963636 0.16732997840791 0.66864373809726 18.998 > 10 78 F 0.64061282963636 0.16732997840791 0.66864373809726 18.998 > 10 79 F 0.14061282963636 0.66732997840791 0.66864373809726 18.998 > 10 80 F 0.64061282963636 0.66732997840791 0.66864373809726 18.998 > 10 *81 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 11 82 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 11 83 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 11 84 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 11 85 Y 0.00000000000000 0.25000000000000 0.25000000000000 88.906 > 12 86 Y 0.50000000000000 0.25000000000000 0.25000000000000 88.906 > 12 87 Y 0.00000000000000 0.75000000000000 0.25000000000000 88.906 > 12 88 Y 0.50000000000000 0.75000000000000 0.25000000000000 88.906 > 12 89 Y 0.25000000000000 0.25000000000000 0.50000000000000 88.906 > 11 90 Y 0.75000000000000 0.25000000000000 0.50000000000000 88.906 > 11 91 Y 0.25000000000000 0.75000000000000 0.50000000000000 88.906 > 11 92 Y 0.75000000000000 0.75000000000000 0.50000000000000 88.906 > 11 93 Y 0.25000000000000 0.00000000000000 0.75000000000000 88.906 > 12 94 Y 0.75000000000000 0.00000000000000 0.75000000000000 88.906 > 12 95 Y 0.25000000000000 0.50000000000000 0.75000000000000 88.906 > 12 96 Y 0.75000000000000 0.50000000000000 0.75000000000000 88.906 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3310512 0.0000003 0.0000000 -0.0000003 2.3310512 0.0000000 0.0000000 0.0000000 2.4345640 -------------------------- Born effective charges -------------------------- 1 Li 1.1646173 0.0082005 0.0000000 -0.0082005 1.1646173 0.0000000 -0.0000000 0.0000000 0.9818101 2 Li 1.1646173 0.0082005 0.0000000 -0.0082005 1.1646173 0.0000000 -0.0000000 0.0000000 0.9818101 3 F -1.2565499 -0.1428844 0.3802778 -0.1480565 -1.0278605 -0.1447603 0.3503817 -0.1145475 -1.2172643 4 F -1.0278605 0.1480565 -0.1447603 0.1428844 -1.2565499 -0.3802778 -0.1145475 -0.3503817 -1.2172643 5 F -1.2565499 -0.1428844 -0.3802778 -0.1480565 -1.0278605 0.1447603 -0.3503817 0.1145475 -1.2172643 6 F -1.0278605 0.1480565 0.1447603 0.1428844 -1.2565499 0.3802778 0.1145475 0.3503817 -1.2172643 7 F -1.0278605 0.1480565 -0.1447603 0.1428844 -1.2565499 -0.3802778 -0.1145475 -0.3503817 -1.2172643 8 F -1.2565499 -0.1428844 0.3802778 -0.1480565 -1.0278605 -0.1447603 0.3503817 -0.1145475 -1.2172643 9 F -1.2565499 -0.1428844 -0.3802778 -0.1480565 -1.0278605 0.1447603 -0.3503817 0.1145475 -1.2172643 10 F -1.0278605 0.1480565 0.1447603 0.1428844 -1.2565499 0.3802778 0.1145475 0.3503817 -1.2172643 11 Y 3.4042034 -0.0185446 0.0000000 0.0185446 3.4042034 0.0000000 -0.0000000 0.0000000 3.8872472 12 Y 3.4042034 -0.0185446 0.0000000 0.0185446 3.4042034 0.0000000 -0.0000000 0.0000000 3.8872472 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.549 Solver_block: 200 / 240 - Time: 0.559 Solver_block: 240 / 240 - Time: 0.281 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.403 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), 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 19:42:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:42:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.575684690000000 2.575684690000000 5.328036065000000 b 2.575684690000000 -2.575684690000000 5.328036065000000 c 2.575684690000000 2.575684690000000 -5.328036065000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 3 F 0.13741807882455 0.25330369491308 0.55343429754310 18.998 4 F 0.33398378128145 0.38741807882455 0.38411438391147 18.998 5 F 0.05013060263002 0.66601621871855 0.05343429754310 18.998 6 F 0.74669630508692 0.30013060263002 0.88411438391147 18.998 7 F 0.41601621871855 0.86258192117545 0.11588561608853 18.998 8 F 0.61258192117545 0.99669630508692 0.94656570245690 18.998 9 F 0.69986939736998 0.58398378128145 0.44656570245690 18.998 10 F 0.00330369491308 0.94986939736998 0.61588561608853 18.998 11 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 12 Y 0.75000000000000 0.25000000000000 0.50000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.302738760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.302738760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.656072130000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 1 3 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 1 4 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 5 6 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 5 7 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 5 8 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 1 10 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 1 11 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 1 12 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 1 13 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 5 14 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 5 15 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 5 16 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 5 17 F 0.41732997840791 0.35938717036364 0.41864373809726 18.998 > 17 18 F 0.91732997840791 0.35938717036364 0.41864373809726 18.998 > 17 19 F 0.41732997840791 0.85938717036364 0.41864373809726 18.998 > 17 20 F 0.91732997840791 0.85938717036364 0.41864373809726 18.998 > 17 21 F 0.10938717036364 0.08267002159209 0.16864373809726 18.998 > 21 22 F 0.60938717036364 0.08267002159209 0.16864373809726 18.998 > 21 23 F 0.10938717036364 0.58267002159209 0.16864373809726 18.998 > 21 24 F 0.60938717036364 0.58267002159209 0.16864373809726 18.998 > 21 25 F 0.16732997840791 0.35938717036364 0.33135626190274 18.998 > 25 26 F 0.66732997840791 0.35938717036364 0.33135626190274 18.998 > 25 27 F 0.16732997840791 0.85938717036364 0.33135626190274 18.998 > 25 28 F 0.66732997840791 0.85938717036364 0.33135626190274 18.998 > 25 29 F 0.10938717036364 0.33267002159209 0.08135626190274 18.998 > 29 30 F 0.60938717036364 0.33267002159209 0.08135626190274 18.998 > 29 31 F 0.10938717036364 0.83267002159209 0.08135626190274 18.998 > 29 32 F 0.60938717036364 0.83267002159209 0.08135626190274 18.998 > 29 33 F 0.39061282963636 0.16732997840791 0.08135626190274 18.998 > 33 34 F 0.89061282963636 0.16732997840791 0.08135626190274 18.998 > 33 35 F 0.39061282963636 0.66732997840791 0.08135626190274 18.998 > 33 36 F 0.89061282963636 0.66732997840791 0.08135626190274 18.998 > 33 37 F 0.33267002159209 0.14061282963636 0.33135626190274 18.998 > 37 38 F 0.83267002159209 0.14061282963636 0.33135626190274 18.998 > 37 39 F 0.33267002159209 0.64061282963636 0.33135626190274 18.998 > 37 40 F 0.83267002159209 0.64061282963636 0.33135626190274 18.998 > 37 41 F 0.08267002159209 0.14061282963636 0.41864373809726 18.998 > 41 42 F 0.58267002159209 0.14061282963636 0.41864373809726 18.998 > 41 43 F 0.08267002159209 0.64061282963636 0.41864373809726 18.998 > 41 44 F 0.58267002159209 0.64061282963636 0.41864373809726 18.998 > 41 45 F 0.39061282963636 0.41732997840791 0.16864373809726 18.998 > 45 46 F 0.89061282963636 0.41732997840791 0.16864373809726 18.998 > 45 47 F 0.39061282963636 0.91732997840791 0.16864373809726 18.998 > 45 48 F 0.89061282963636 0.91732997840791 0.16864373809726 18.998 > 45 49 F 0.16732997840791 0.10938717036364 0.91864373809726 18.998 > 17 50 F 0.66732997840791 0.10938717036364 0.91864373809726 18.998 > 17 51 F 0.16732997840791 0.60938717036364 0.91864373809726 18.998 > 17 52 F 0.66732997840791 0.60938717036364 0.91864373809726 18.998 > 17 53 F 0.35938717036364 0.33267002159209 0.66864373809726 18.998 > 21 54 F 0.85938717036364 0.33267002159209 0.66864373809726 18.998 > 21 55 F 0.35938717036364 0.83267002159209 0.66864373809726 18.998 > 21 56 F 0.85938717036364 0.83267002159209 0.66864373809726 18.998 > 21 57 F 0.41732997840791 0.10938717036364 0.83135626190274 18.998 > 25 58 F 0.91732997840791 0.10938717036364 0.83135626190274 18.998 > 25 59 F 0.41732997840791 0.60938717036364 0.83135626190274 18.998 > 25 60 F 0.91732997840791 0.60938717036364 0.83135626190274 18.998 > 25 61 F 0.35938717036364 0.08267002159209 0.58135626190274 18.998 > 29 62 F 0.85938717036364 0.08267002159209 0.58135626190274 18.998 > 29 63 F 0.35938717036364 0.58267002159209 0.58135626190274 18.998 > 29 64 F 0.85938717036364 0.58267002159209 0.58135626190274 18.998 > 29 65 F 0.14061282963636 0.41732997840791 0.58135626190274 18.998 > 33 66 F 0.64061282963636 0.41732997840791 0.58135626190274 18.998 > 33 67 F 0.14061282963636 0.91732997840791 0.58135626190274 18.998 > 33 68 F 0.64061282963636 0.91732997840791 0.58135626190274 18.998 > 33 69 F 0.08267002159209 0.39061282963636 0.83135626190274 18.998 > 37 70 F 0.58267002159209 0.39061282963636 0.83135626190274 18.998 > 37 71 F 0.08267002159209 0.89061282963636 0.83135626190274 18.998 > 37 72 F 0.58267002159209 0.89061282963636 0.83135626190274 18.998 > 37 73 F 0.33267002159209 0.39061282963636 0.91864373809726 18.998 > 41 74 F 0.83267002159209 0.39061282963636 0.91864373809726 18.998 > 41 75 F 0.33267002159209 0.89061282963636 0.91864373809726 18.998 > 41 76 F 0.83267002159209 0.89061282963636 0.91864373809726 18.998 > 41 77 F 0.14061282963636 0.16732997840791 0.66864373809726 18.998 > 45 78 F 0.64061282963636 0.16732997840791 0.66864373809726 18.998 > 45 79 F 0.14061282963636 0.66732997840791 0.66864373809726 18.998 > 45 80 F 0.64061282963636 0.66732997840791 0.66864373809726 18.998 > 45 81 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 81 82 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 81 83 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 81 84 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 81 85 Y 0.00000000000000 0.25000000000000 0.25000000000000 88.906 > 85 86 Y 0.50000000000000 0.25000000000000 0.25000000000000 88.906 > 85 87 Y 0.00000000000000 0.75000000000000 0.25000000000000 88.906 > 85 88 Y 0.50000000000000 0.75000000000000 0.25000000000000 88.906 > 85 89 Y 0.25000000000000 0.25000000000000 0.50000000000000 88.906 > 81 90 Y 0.75000000000000 0.25000000000000 0.50000000000000 88.906 > 81 91 Y 0.25000000000000 0.75000000000000 0.50000000000000 88.906 > 81 92 Y 0.75000000000000 0.75000000000000 0.50000000000000 88.906 > 81 93 Y 0.25000000000000 0.00000000000000 0.75000000000000 88.906 > 85 94 Y 0.75000000000000 0.00000000000000 0.75000000000000 88.906 > 85 95 Y 0.25000000000000 0.50000000000000 0.75000000000000 88.906 > 85 96 Y 0.75000000000000 0.50000000000000 0.75000000000000 88.906 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3310512 0.0000003 0.0000000 -0.0000003 2.3310512 0.0000000 0.0000000 0.0000000 2.4345640 -------------------------- Born effective charges -------------------------- 1 Li 1.1646173 0.0082005 0.0000000 -0.0082005 1.1646173 0.0000000 -0.0000000 0.0000000 0.9818101 2 Li 1.1646173 0.0082005 0.0000000 -0.0082005 1.1646173 0.0000000 -0.0000000 0.0000000 0.9818101 3 F -1.2565499 -0.1428844 0.3802778 -0.1480565 -1.0278605 -0.1447603 0.3503817 -0.1145475 -1.2172643 4 F -1.0278605 0.1480565 -0.1447603 0.1428844 -1.2565499 -0.3802778 -0.1145475 -0.3503817 -1.2172643 5 F -1.2565499 -0.1428844 -0.3802778 -0.1480565 -1.0278605 0.1447603 -0.3503817 0.1145475 -1.2172643 6 F -1.0278605 0.1480565 0.1447603 0.1428844 -1.2565499 0.3802778 0.1145475 0.3503817 -1.2172643 7 F -1.0278605 0.1480565 -0.1447603 0.1428844 -1.2565499 -0.3802778 -0.1145475 -0.3503817 -1.2172643 8 F -1.2565499 -0.1428844 0.3802778 -0.1480565 -1.0278605 -0.1447603 0.3503817 -0.1145475 -1.2172643 9 F -1.2565499 -0.1428844 -0.3802778 -0.1480565 -1.0278605 0.1447603 -0.3503817 0.1145475 -1.2172643 10 F -1.0278605 0.1480565 0.1447603 0.1428844 -1.2565499 0.3802778 0.1145475 0.3503817 -1.2172643 11 Y 3.4042034 -0.0185446 0.0000000 0.0185446 3.4042034 0.0000000 -0.0000000 0.0000000 3.8872472 12 Y 3.4042034 -0.0185446 0.0000000 0.0185446 3.4042034 0.0000000 -0.0000000 0.0000000 3.8872472 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xzy) 0.00000001 (xzy) 0.00000001 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) 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 19:42:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:42:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.575684690000000 2.575684690000000 5.328036065000000 b 2.575684690000000 -2.575684690000000 5.328036065000000 c 2.575684690000000 2.575684690000000 -5.328036065000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 3 F 0.13741807882455 0.25330369491308 0.55343429754310 18.998 4 F 0.33398378128145 0.38741807882455 0.38411438391147 18.998 5 F 0.05013060263002 0.66601621871855 0.05343429754310 18.998 6 F 0.74669630508692 0.30013060263002 0.88411438391147 18.998 7 F 0.41601621871855 0.86258192117545 0.11588561608853 18.998 8 F 0.61258192117545 0.99669630508692 0.94656570245690 18.998 9 F 0.69986939736998 0.58398378128145 0.44656570245690 18.998 10 F 0.00330369491308 0.94986939736998 0.61588561608853 18.998 11 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 12 Y 0.75000000000000 0.25000000000000 0.50000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.302738760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.302738760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.656072130000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 1 3 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 1 4 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 5 6 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 5 7 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 5 8 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 1 10 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 1 11 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 1 12 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 1 13 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 5 14 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 5 15 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 5 16 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 5 17 F 0.41732997840791 0.35938717036364 0.41864373809726 18.998 > 17 18 F 0.91732997840791 0.35938717036364 0.41864373809726 18.998 > 17 19 F 0.41732997840791 0.85938717036364 0.41864373809726 18.998 > 17 20 F 0.91732997840791 0.85938717036364 0.41864373809726 18.998 > 17 21 F 0.10938717036364 0.08267002159209 0.16864373809726 18.998 > 21 22 F 0.60938717036364 0.08267002159209 0.16864373809726 18.998 > 21 23 F 0.10938717036364 0.58267002159209 0.16864373809726 18.998 > 21 24 F 0.60938717036364 0.58267002159209 0.16864373809726 18.998 > 21 25 F 0.16732997840791 0.35938717036364 0.33135626190274 18.998 > 25 26 F 0.66732997840791 0.35938717036364 0.33135626190274 18.998 > 25 27 F 0.16732997840791 0.85938717036364 0.33135626190274 18.998 > 25 28 F 0.66732997840791 0.85938717036364 0.33135626190274 18.998 > 25 29 F 0.10938717036364 0.33267002159209 0.08135626190274 18.998 > 29 30 F 0.60938717036364 0.33267002159209 0.08135626190274 18.998 > 29 31 F 0.10938717036364 0.83267002159209 0.08135626190274 18.998 > 29 32 F 0.60938717036364 0.83267002159209 0.08135626190274 18.998 > 29 33 F 0.39061282963636 0.16732997840791 0.08135626190274 18.998 > 33 34 F 0.89061282963636 0.16732997840791 0.08135626190274 18.998 > 33 35 F 0.39061282963636 0.66732997840791 0.08135626190274 18.998 > 33 36 F 0.89061282963636 0.66732997840791 0.08135626190274 18.998 > 33 37 F 0.33267002159209 0.14061282963636 0.33135626190274 18.998 > 37 38 F 0.83267002159209 0.14061282963636 0.33135626190274 18.998 > 37 39 F 0.33267002159209 0.64061282963636 0.33135626190274 18.998 > 37 40 F 0.83267002159209 0.64061282963636 0.33135626190274 18.998 > 37 41 F 0.08267002159209 0.14061282963636 0.41864373809726 18.998 > 41 42 F 0.58267002159209 0.14061282963636 0.41864373809726 18.998 > 41 43 F 0.08267002159209 0.64061282963636 0.41864373809726 18.998 > 41 44 F 0.58267002159209 0.64061282963636 0.41864373809726 18.998 > 41 45 F 0.39061282963636 0.41732997840791 0.16864373809726 18.998 > 45 46 F 0.89061282963636 0.41732997840791 0.16864373809726 18.998 > 45 47 F 0.39061282963636 0.91732997840791 0.16864373809726 18.998 > 45 48 F 0.89061282963636 0.91732997840791 0.16864373809726 18.998 > 45 49 F 0.16732997840791 0.10938717036364 0.91864373809726 18.998 > 17 50 F 0.66732997840791 0.10938717036364 0.91864373809726 18.998 > 17 51 F 0.16732997840791 0.60938717036364 0.91864373809726 18.998 > 17 52 F 0.66732997840791 0.60938717036364 0.91864373809726 18.998 > 17 53 F 0.35938717036364 0.33267002159209 0.66864373809726 18.998 > 21 54 F 0.85938717036364 0.33267002159209 0.66864373809726 18.998 > 21 55 F 0.35938717036364 0.83267002159209 0.66864373809726 18.998 > 21 56 F 0.85938717036364 0.83267002159209 0.66864373809726 18.998 > 21 57 F 0.41732997840791 0.10938717036364 0.83135626190274 18.998 > 25 58 F 0.91732997840791 0.10938717036364 0.83135626190274 18.998 > 25 59 F 0.41732997840791 0.60938717036364 0.83135626190274 18.998 > 25 60 F 0.91732997840791 0.60938717036364 0.83135626190274 18.998 > 25 61 F 0.35938717036364 0.08267002159209 0.58135626190274 18.998 > 29 62 F 0.85938717036364 0.08267002159209 0.58135626190274 18.998 > 29 63 F 0.35938717036364 0.58267002159209 0.58135626190274 18.998 > 29 64 F 0.85938717036364 0.58267002159209 0.58135626190274 18.998 > 29 65 F 0.14061282963636 0.41732997840791 0.58135626190274 18.998 > 33 66 F 0.64061282963636 0.41732997840791 0.58135626190274 18.998 > 33 67 F 0.14061282963636 0.91732997840791 0.58135626190274 18.998 > 33 68 F 0.64061282963636 0.91732997840791 0.58135626190274 18.998 > 33 69 F 0.08267002159209 0.39061282963636 0.83135626190274 18.998 > 37 70 F 0.58267002159209 0.39061282963636 0.83135626190274 18.998 > 37 71 F 0.08267002159209 0.89061282963636 0.83135626190274 18.998 > 37 72 F 0.58267002159209 0.89061282963636 0.83135626190274 18.998 > 37 73 F 0.33267002159209 0.39061282963636 0.91864373809726 18.998 > 41 74 F 0.83267002159209 0.39061282963636 0.91864373809726 18.998 > 41 75 F 0.33267002159209 0.89061282963636 0.91864373809726 18.998 > 41 76 F 0.83267002159209 0.89061282963636 0.91864373809726 18.998 > 41 77 F 0.14061282963636 0.16732997840791 0.66864373809726 18.998 > 45 78 F 0.64061282963636 0.16732997840791 0.66864373809726 18.998 > 45 79 F 0.14061282963636 0.66732997840791 0.66864373809726 18.998 > 45 80 F 0.64061282963636 0.66732997840791 0.66864373809726 18.998 > 45 81 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 81 82 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 81 83 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 81 84 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 81 85 Y 0.00000000000000 0.25000000000000 0.25000000000000 88.906 > 85 86 Y 0.50000000000000 0.25000000000000 0.25000000000000 88.906 > 85 87 Y 0.00000000000000 0.75000000000000 0.25000000000000 88.906 > 85 88 Y 0.50000000000000 0.75000000000000 0.25000000000000 88.906 > 85 89 Y 0.25000000000000 0.25000000000000 0.50000000000000 88.906 > 81 90 Y 0.75000000000000 0.25000000000000 0.50000000000000 88.906 > 81 91 Y 0.25000000000000 0.75000000000000 0.50000000000000 88.906 > 81 92 Y 0.75000000000000 0.75000000000000 0.50000000000000 88.906 > 81 93 Y 0.25000000000000 0.00000000000000 0.75000000000000 88.906 > 85 94 Y 0.75000000000000 0.00000000000000 0.75000000000000 88.906 > 85 95 Y 0.25000000000000 0.50000000000000 0.75000000000000 88.906 > 85 96 Y 0.75000000000000 0.50000000000000 0.75000000000000 88.906 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3310512 0.0000003 0.0000000 -0.0000003 2.3310512 0.0000000 0.0000000 0.0000000 2.4345640 -------------------------- Born effective charges -------------------------- 1 Li 1.1646173 0.0082005 0.0000000 -0.0082005 1.1646173 0.0000000 -0.0000000 0.0000000 0.9818101 2 Li 1.1646173 0.0082005 0.0000000 -0.0082005 1.1646173 0.0000000 -0.0000000 0.0000000 0.9818101 3 F -1.2565499 -0.1428844 0.3802778 -0.1480565 -1.0278605 -0.1447603 0.3503817 -0.1145475 -1.2172643 4 F -1.0278605 0.1480565 -0.1447603 0.1428844 -1.2565499 -0.3802778 -0.1145475 -0.3503817 -1.2172643 5 F -1.2565499 -0.1428844 -0.3802778 -0.1480565 -1.0278605 0.1447603 -0.3503817 0.1145475 -1.2172643 6 F -1.0278605 0.1480565 0.1447603 0.1428844 -1.2565499 0.3802778 0.1145475 0.3503817 -1.2172643 7 F -1.0278605 0.1480565 -0.1447603 0.1428844 -1.2565499 -0.3802778 -0.1145475 -0.3503817 -1.2172643 8 F -1.2565499 -0.1428844 0.3802778 -0.1480565 -1.0278605 -0.1447603 0.3503817 -0.1145475 -1.2172643 9 F -1.2565499 -0.1428844 -0.3802778 -0.1480565 -1.0278605 0.1447603 -0.3503817 0.1145475 -1.2172643 10 F -1.0278605 0.1480565 0.1447603 0.1428844 -1.2565499 0.3802778 0.1145475 0.3503817 -1.2172643 11 Y 3.4042034 -0.0185446 0.0000000 0.0185446 3.4042034 0.0000000 -0.0000000 0.0000000 3.8872472 12 Y 3.4042034 -0.0185446 0.0000000 0.0185446 3.4042034 0.0000000 -0.0000000 0.0000000 3.8872472 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xzy) 0.00000001 (xzy) 0.00000001 (xyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 5 10 20 ] Grid generation matrix: [ 0 10 10 ] [ 10 0 10 ] [ 5 5 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.80, Number of G-points: 289, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/156) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 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 4.142 ( -0.000 0.000 0.000) 0.000 4.142 ( -0.000 0.000 0.000) 0.000 4.306 ( 0.000 -0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 -0.000) 0.000 5.130 ( -0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 -0.000) 0.000 5.873 ( 0.000 0.000 0.000) 0.000 6.944 ( -0.000 0.000 0.000) 0.000 7.110 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 7.752 ( 0.000 0.000 0.000) 0.000 8.695 ( -0.000 0.000 -0.000) 0.000 8.695 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.750 ( -0.000 0.000 -0.000) 0.000 9.750 ( 0.000 -0.000 0.000) 0.000 9.839 ( -0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 -0.000) 0.000 10.716 ( 0.000 0.000 -0.000) 0.000 10.971 ( 0.000 0.000 0.000) 0.000 11.010 ( 0.000 0.000 -0.000) 0.000 11.010 ( 0.000 0.000 -0.000) 0.000 11.244 ( -0.000 0.000 0.000) 0.000 12.804 ( 0.000 0.000 -0.000) 0.000 12.821 ( 0.000 0.000 0.000) 0.000 13.358 ( 0.000 0.000 0.000) 0.000 13.358 ( 0.000 0.000 -0.000) 0.000 13.392 ( 0.000 -0.000 0.000) 0.000 14.058 ( 0.000 0.000 -0.000) 0.000 14.058 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/156) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 16.177 -7.948 14.550) 23.164 1.354 ( 24.102 -1.106 15.615) 28.740 2.329 ( 39.594 2.676 26.681) 47.820 3.881 ( -6.929 -2.956 -20.299) 21.652 4.103 ( 6.003 6.218 -14.324) 16.729 4.463 ( 3.069 2.516 1.542) 4.258 4.715 ( 3.147 -2.430 9.020) 9.857 5.073 ( 3.175 -0.078 0.657) 3.243 5.283 ( -5.189 -1.725 1.215) 5.602 5.345 ( 7.614 -0.801 0.720) 7.690 5.734 ( 0.309 5.589 -9.601) 11.113 6.433 ( -1.256 -0.410 8.919) 9.017 6.856 ( -4.566 -1.447 -1.601) 5.050 6.879 ( -5.329 -5.543 3.287) 8.363 7.624 ( 7.062 2.583 -5.161) 9.120 8.023 ( 2.050 0.124 12.836) 12.999 8.796 ( -1.637 -1.373 -6.599) 6.936 8.969 ( -2.489 -1.462 1.078) 3.082 9.063 ( -8.206 4.904 -11.087) 14.639 9.648 ( 5.982 1.024 -1.864) 6.349 9.821 ( 2.732 -0.482 -5.558) 6.212 9.908 ( 3.287 8.595 2.802) 9.619 10.286 ( -11.479 -19.835 0.516) 22.922 10.345 ( 6.421 0.071 -10.634) 12.423 10.434 ( -6.772 6.872 -0.379) 9.656 10.987 ( -13.477 6.375 4.596) 15.601 11.327 ( -0.926 7.738 4.736) 9.119 11.616 ( -12.828 -9.925 23.163) 28.277 11.857 ( 18.290 -9.516 3.710) 20.949 12.395 ( -8.820 3.416 -11.650) 15.006 12.986 ( 4.544 -0.595 2.435) 5.190 13.179 ( -12.045 -0.783 7.044) 13.975 13.481 ( 1.917 6.710 3.255) 7.700 13.959 ( -5.176 1.775 2.312) 5.940 14.346 ( 8.728 -2.323 6.898) 11.365 17.076 ( 3.287 -0.744 -20.625) 20.898 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 9.224 -5.139 8.727) 13.699 2.303 ( 11.023 -0.171 7.801) 13.505 3.162 ( -8.734 0.559 -10.524) 13.687 3.719 ( 8.514 -3.559 8.158) 12.317 4.111 ( 3.406 3.943 -6.927) 8.668 4.543 ( 3.425 1.721 -4.929) 6.244 4.884 ( -0.022 -2.007 17.312) 17.428 5.181 ( 7.939 11.308 -8.229) 16.081 5.307 ( -2.908 -1.505 -2.993) 4.436 5.520 ( 2.961 -4.281 4.239) 6.713 5.908 ( 4.838 0.911 2.294) 5.431 6.398 ( -1.457 0.515 3.265) 3.613 6.665 ( -4.516 0.207 -3.085) 5.473 6.794 ( 0.671 -7.432 -6.258) 9.739 7.876 ( 5.893 3.791 0.645) 7.036 8.246 ( 2.287 -0.444 6.313) 6.729 8.439 ( -0.271 3.719 -7.246) 8.149 8.776 ( -4.708 -4.348 -3.029) 7.089 9.084 ( 3.233 6.423 4.748) 8.617 9.426 ( -8.763 -9.268 -8.535) 15.347 9.850 ( -1.464 -0.734 1.742) 2.391 10.042 ( -1.030 2.424 5.978) 6.533 10.186 ( 5.304 7.173 -5.746) 10.611 10.266 ( -2.473 -7.743 1.530) 8.271 10.433 ( 0.607 3.006 1.048) 3.241 10.726 ( 0.672 3.742 2.489) 4.544 11.152 ( -7.574 -7.618 7.028) 12.838 11.562 ( -8.777 3.805 -6.883) 11.785 11.702 ( -1.681 -0.962 -1.810) 2.651 12.563 ( 2.781 -8.380 -0.642) 8.853 12.772 ( -0.377 6.903 0.182) 6.915 13.261 ( 1.547 -2.546 2.120) 3.656 13.587 ( 1.308 4.017 1.112) 4.368 13.816 ( -3.855 1.807 2.597) 4.988 14.801 ( 4.658 -1.534 8.362) 9.694 16.772 ( -1.840 -0.374 -9.837) 10.015 ======================= Grid point 5 (4/156) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 9.308 31.311 0.000) 32.666 0.839 ( 20.990 21.236 0.000) 29.859 1.389 ( 38.365 26.359 0.000) 46.547 4.141 ( 3.112 -2.356 0.000) 3.903 4.239 ( -3.056 -1.860 -0.000) 3.577 4.378 ( -6.941 -1.230 -0.000) 7.049 4.537 ( 6.347 0.221 0.000) 6.351 5.140 ( 9.113 8.913 0.000) 12.747 5.232 ( 4.651 5.558 0.000) 7.247 5.419 ( -13.298 -11.612 -0.000) 17.654 5.890 ( 2.963 -0.007 0.000) 2.963 6.171 ( 5.585 5.970 0.000) 8.176 6.901 ( -4.195 -1.274 -0.000) 4.385 6.945 ( -8.725 -6.311 -0.000) 10.768 7.628 ( 6.690 5.931 0.000) 8.940 7.789 ( 2.581 1.721 0.000) 3.103 8.740 ( 0.418 3.395 -0.000) 3.420 9.158 ( 3.219 6.290 0.000) 7.065 9.387 ( -3.900 -15.563 -0.000) 16.044 9.599 ( -3.637 5.833 -0.000) 6.874 9.641 ( 6.796 -13.075 0.000) 14.735 9.979 ( 1.378 7.701 -0.000) 7.823 10.285 ( -11.437 -7.240 -0.000) 13.536 10.616 ( -4.867 -2.759 -0.000) 5.595 10.822 ( -6.771 3.431 -0.000) 7.591 10.850 ( -10.588 -13.689 -0.000) 17.306 11.155 ( 18.782 -6.698 0.000) 19.941 11.279 ( -9.591 6.787 -0.000) 11.749 11.579 ( 10.325 21.268 0.000) 23.642 12.717 ( -2.908 -7.211 -0.000) 7.775 12.860 ( -0.420 4.079 -0.000) 4.101 13.217 ( -6.283 -7.793 -0.000) 10.010 13.461 ( 8.512 1.424 0.000) 8.631 14.032 ( 0.374 -3.334 0.000) 3.355 14.152 ( 0.857 5.602 -0.000) 5.667 17.315 ( -4.627 -3.617 -0.000) 5.873 ======================= Grid point 6 (5/156) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 11.971 15.829 12.143) 23.266 1.852 ( 19.896 5.521 9.156) 22.587 2.987 ( 23.017 -2.610 13.834) 26.981 3.727 ( -7.991 3.327 -14.552) 16.931 4.194 ( -1.015 0.209 1.021) 1.454 4.552 ( 2.505 -8.970 3.033) 9.795 4.722 ( 8.599 1.228 -15.687) 17.931 5.013 ( -0.714 -4.487 9.939) 10.928 5.448 ( 6.875 11.086 -0.820) 13.071 5.563 ( 6.570 7.783 -1.515) 10.298 5.793 ( -2.635 -1.352 -2.479) 3.863 6.419 ( -1.985 2.679 3.765) 5.029 6.593 ( -5.065 -9.026 4.501) 11.286 6.746 ( 1.150 -7.289 -3.869) 8.332 7.879 ( 7.530 5.871 -2.917) 9.984 8.099 ( 3.246 2.464 7.772) 8.776 8.647 ( -5.920 -2.771 -4.810) 8.115 8.950 ( -1.481 0.212 -12.613) 12.701 9.107 ( -1.814 6.936 -1.257) 7.279 9.554 ( -8.583 -8.781 6.407) 13.850 9.753 ( -2.331 0.447 -2.044) 3.132 9.963 ( 2.687 -5.215 1.965) 6.187 10.139 ( 2.476 -1.942 3.142) 4.447 10.342 ( -3.774 3.599 -6.560) 8.380 10.532 ( 4.090 3.725 -1.862) 5.836 10.840 ( -9.737 0.593 5.775) 11.337 10.926 ( -11.840 -2.605 16.337) 20.344 11.675 ( 1.808 4.959 -0.968) 5.367 12.071 ( 7.716 1.574 -9.233) 12.135 12.307 ( -3.016 0.738 -1.455) 3.429 12.954 ( 4.102 -12.406 2.009) 13.221 13.009 ( -3.504 3.987 -0.980) 5.398 13.724 ( 3.375 8.703 -2.188) 9.587 13.911 ( -6.511 4.733 3.577) 8.809 14.394 ( 4.969 -6.440 12.889) 15.241 16.966 ( -4.829 -8.538 -11.708) 15.274 ======================= Grid point 7 (6/156) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 6.008 12.425 7.208) 15.570 2.458 ( 3.821 1.033 1.667) 4.295 3.060 ( -5.230 2.659 -4.103) 7.159 3.696 ( -0.738 -4.398 9.094) 10.128 4.123 ( -4.364 0.462 1.493) 4.636 4.689 ( 3.887 1.651 -14.383) 14.990 4.749 ( -6.399 -6.519 19.681) 21.698 5.106 ( -1.267 -6.739 -5.213) 8.614 5.440 ( 6.463 -2.388 -15.438) 16.906 5.688 ( 3.834 9.681 -1.444) 10.513 5.913 ( -1.576 -2.815 3.234) 4.569 6.399 ( 2.079 -2.096 0.164) 2.956 6.548 ( -1.301 -3.301 -2.048) 4.097 6.710 ( 2.014 -5.186 -0.588) 5.594 7.961 ( -4.178 1.027 0.803) 4.377 8.285 ( -1.252 1.309 9.269) 9.444 8.556 ( -1.274 8.661 -10.056) 13.332 8.645 ( 2.332 -3.863 0.306) 4.523 9.145 ( -5.951 -2.414 -2.204) 6.790 9.306 ( 4.628 7.591 8.192) 12.089 9.865 ( 2.050 -1.336 1.288) 2.765 10.012 ( 0.137 -4.075 -2.315) 4.689 10.053 ( -1.889 -6.065 1.987) 6.656 10.364 ( -0.008 -0.571 1.109) 1.247 10.467 ( -1.829 10.951 -0.030) 11.103 10.791 ( -0.650 3.164 0.450) 3.261 11.057 ( 5.463 -0.559 8.789) 10.364 11.475 ( -7.529 3.544 -4.372) 9.400 11.725 ( 2.286 0.124 -3.659) 4.316 12.565 ( 7.098 -3.996 -6.174) 10.221 12.914 ( -4.667 11.219 0.646) 12.168 13.161 ( 4.436 -8.858 -0.515) 9.920 13.689 ( -1.248 2.535 -4.271) 5.121 13.775 ( -0.442 0.406 1.004) 1.170 14.823 ( 2.232 -2.377 8.779) 9.365 16.617 ( -3.222 -10.161 -3.049) 11.087 ======================= Grid point 8 (7/156) ======================= q-point: ( 0.00 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -11.441 17.944 -9.935) 23.485 2.081 ( -14.734 4.264 -12.931) 20.062 3.323 ( -1.409 -1.475 -6.731) 7.033 3.513 ( -9.839 5.440 4.424) 12.082 3.808 ( -10.416 -7.430 15.044) 19.749 4.512 ( -0.360 -0.224 -3.075) 3.104 4.770 ( 1.746 -10.588 -4.917) 11.804 5.080 ( 2.960 3.630 -2.079) 5.125 5.270 ( -1.442 -2.923 6.217) 7.019 5.637 ( -3.735 10.648 -8.444) 14.094 5.710 ( -11.159 -0.977 0.006) 11.202 6.461 ( 6.207 -0.638 -5.028) 8.013 6.700 ( 3.935 -3.426 4.641) 6.983 6.933 ( 2.106 -0.530 0.711) 2.285 7.655 ( -8.509 0.939 5.785) 10.332 8.272 ( -1.297 2.404 -9.299) 9.692 8.406 ( 3.612 -2.380 9.801) 10.714 8.891 ( 1.320 -0.395 5.770) 5.932 9.020 ( 2.065 1.989 -0.861) 2.993 9.564 ( -2.322 1.084 7.759) 8.171 9.819 ( -8.500 -10.410 2.405) 13.653 9.910 ( -2.379 0.765 -5.373) 5.926 10.207 ( 10.341 3.970 -1.216) 11.143 10.369 ( -1.716 0.329 1.930) 2.604 10.591 ( -0.700 16.427 -0.965) 16.470 10.670 ( 13.038 -4.751 -4.949) 14.733 11.254 ( 0.949 -5.189 -3.556) 6.362 11.663 ( 8.029 -3.984 6.624) 11.145 11.954 ( 10.325 6.553 -0.534) 12.241 12.464 ( -14.650 -1.192 -2.592) 14.925 12.811 ( 7.884 -6.010 -0.766) 9.943 13.226 ( 1.894 -1.182 -5.213) 5.671 13.532 ( -1.298 1.457 -3.023) 3.598 13.912 ( 6.431 3.220 -3.767) 8.119 14.696 ( -6.341 -0.670 -9.780) 11.675 16.715 ( -0.303 -6.538 15.737) 17.044 ======================= Grid point 9 (8/156) ======================= q-point: ( 0.00 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -23.977 8.178 -17.378) 30.721 1.013 ( -13.908 20.454 -16.929) 29.973 1.812 ( -21.215 25.427 -39.006) 51.167 3.889 ( -0.951 -1.616 18.641) 18.735 4.056 ( 1.489 4.479 20.507) 21.043 4.440 ( -2.084 3.173 -1.647) 4.138 4.624 ( 1.311 -3.366 -13.626) 14.097 5.048 ( -13.303 12.441 0.089) 18.214 5.252 ( -3.841 4.581 -2.105) 6.337 5.392 ( 8.336 -11.583 3.117) 14.607 5.755 ( 2.008 4.058 13.986) 14.700 6.461 ( -0.141 -1.129 -15.109) 15.151 6.881 ( 1.145 -3.490 1.800) 4.090 6.934 ( 5.260 -7.706 1.377) 9.431 7.595 ( 0.569 1.100 0.107) 1.243 8.010 ( 0.200 -0.107 -15.721) 15.723 8.761 ( -2.763 1.561 -0.963) 3.317 9.040 ( -1.657 0.079 9.246) 9.394 9.248 ( 6.149 -3.743 16.971) 18.435 9.511 ( -2.396 5.615 3.902) 7.246 9.729 ( 0.524 -0.371 -2.294) 2.382 9.877 ( 5.853 2.997 7.010) 9.611 10.182 ( -7.254 -1.054 3.536) 8.138 10.363 ( 1.102 -3.707 1.529) 4.158 10.764 ( -1.002 -7.642 3.488) 8.460 11.111 ( 1.253 8.524 1.405) 8.729 11.210 ( 11.987 1.702 -11.011) 16.365 11.615 ( -16.353 8.180 -4.467) 18.822 11.857 ( 17.029 -31.107 -38.333) 52.221 12.537 ( 4.900 -1.341 15.135) 15.965 12.890 ( -0.198 -0.923 -4.468) 4.567 13.356 ( 7.156 -11.090 -10.019) 16.571 13.481 ( 0.560 8.580 -2.054) 8.840 14.046 ( 2.072 1.092 -1.193) 2.628 14.221 ( -5.953 3.094 -7.802) 10.290 16.962 ( -8.051 7.198 28.353) 30.340 ======================= Grid point 10 (9/156) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 8.374 28.107 0.000) 29.328 1.604 ( 17.011 18.149 0.000) 24.875 2.404 ( 22.709 15.618 0.000) 27.561 4.157 ( -2.970 -0.479 -0.000) 3.009 4.196 ( -8.571 -0.359 -0.000) 8.578 4.208 ( 9.878 -3.144 0.000) 10.366 4.652 ( 5.753 -3.558 0.000) 6.764 4.971 ( -9.899 -7.981 -0.000) 12.715 5.434 ( 7.770 4.350 0.000) 8.905 5.609 ( 11.450 12.931 0.000) 17.271 5.901 ( -0.429 -5.059 0.000) 5.078 6.312 ( 0.964 2.746 0.000) 2.910 6.626 ( -9.666 -5.317 -0.000) 11.032 6.711 ( -9.098 -3.910 -0.000) 9.902 7.921 ( 7.326 8.048 0.000) 10.883 7.939 ( 7.213 4.324 0.000) 8.409 8.792 ( -4.472 4.192 -0.000) 6.130 8.944 ( -1.505 -19.364 0.000) 19.422 9.306 ( -1.574 5.482 -0.000) 5.703 9.503 ( 7.703 -16.799 0.000) 18.480 9.641 ( -6.281 7.429 -0.000) 9.729 10.051 ( -10.385 2.912 -0.000) 10.786 10.117 ( 0.818 2.936 0.000) 3.048 10.481 ( 0.926 -5.926 0.000) 5.998 10.503 ( -2.665 -1.933 -0.000) 3.292 10.755 ( -6.839 3.238 -0.000) 7.567 11.200 ( -9.783 6.552 -0.000) 11.774 11.424 ( 19.896 -4.978 0.000) 20.509 12.112 ( 3.743 16.095 0.000) 16.525 12.455 ( -4.190 -11.809 -0.000) 12.530 12.873 ( -8.155 4.821 -0.000) 9.473 13.005 ( 2.702 -5.454 0.000) 6.086 13.703 ( 13.715 0.176 0.000) 13.716 13.917 ( -0.275 -9.718 0.000) 9.721 14.240 ( -5.983 8.633 -0.000) 10.504 17.055 ( -10.121 -8.847 -0.000) 13.443 ======================= Grid point 11 (10/156) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 9.173 21.879 7.738) 24.954 2.253 ( 10.611 4.569 5.775) 12.916 3.123 ( 4.199 -6.901 4.017) 9.022 3.716 ( -6.049 7.944 -4.784) 11.072 4.134 ( -2.620 -1.607 3.629) 4.756 4.411 ( -2.168 -5.248 3.926) 6.903 4.843 ( 2.915 -3.426 -5.608) 7.189 5.016 ( 10.527 -6.402 -0.764) 12.345 5.460 ( -6.713 -5.675 -7.182) 11.352 5.728 ( 5.330 -0.633 0.113) 5.369 5.928 ( 4.896 7.262 -4.988) 10.080 6.322 ( -3.052 -5.937 -0.188) 6.678 6.503 ( -0.054 1.695 9.416) 9.567 6.613 ( 1.290 -7.780 -4.271) 8.969 8.060 ( -0.938 4.698 0.476) 4.814 8.166 ( -4.907 1.335 8.020) 9.497 8.574 ( 6.236 -1.940 -12.514) 14.116 8.968 ( 4.531 2.846 -8.859) 10.350 9.151 ( -2.706 3.032 3.038) 5.074 9.377 ( -9.734 4.414 6.003) 12.259 9.619 ( 0.348 -11.626 -1.647) 11.747 9.828 ( -0.224 -5.096 7.490) 9.062 10.110 ( 0.003 6.795 0.682) 6.829 10.459 ( -1.950 6.202 -2.264) 6.884 10.665 ( 3.860 0.602 1.325) 4.126 10.756 ( 0.217 2.139 6.084) 6.452 10.965 ( -0.381 14.227 3.795) 14.729 11.684 ( -4.414 0.255 -2.144) 4.914 12.040 ( -13.232 5.747 -7.094) 16.076 12.373 ( 8.237 -9.671 -7.264) 14.634 12.733 ( 4.438 -15.192 6.420) 17.079 13.278 ( 8.716 17.679 -3.493) 20.018 13.794 ( 0.071 -8.405 -9.675) 12.816 13.872 ( -7.792 6.575 2.838) 10.583 14.389 ( 6.345 -2.180 18.431) 19.614 16.580 ( -8.953 -16.882 -7.001) 20.351 ======================= Grid point 12 (11/156) ======================= q-point: ( 0.00 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 0.605 16.508 1.463) 16.584 2.497 ( -1.947 0.903 -7.824) 8.113 3.093 ( 3.254 5.036 8.579) 10.466 3.590 ( -5.114 0.097 7.140) 8.783 3.897 ( -17.649 -3.669 6.127) 19.039 4.456 ( 2.368 -6.657 10.066) 12.298 4.761 ( -0.685 -2.549 -14.869) 15.102 5.070 ( 1.067 -0.814 -5.206) 5.376 5.371 ( -0.949 -7.865 -12.635) 14.914 5.799 ( -2.493 -2.537 2.312) 4.242 5.918 ( 4.183 5.815 -5.160) 8.828 6.432 ( 5.233 -1.416 2.892) 6.145 6.497 ( 1.067 -3.547 -7.011) 7.930 6.685 ( 4.224 -3.917 8.679) 10.417 7.767 ( -10.147 -0.674 2.122) 10.388 8.225 ( -4.408 -3.296 10.478) 11.836 8.613 ( -5.210 6.801 -6.074) 10.501 8.738 ( 1.416 3.034 1.078) 3.517 9.073 ( -0.295 1.576 -3.861) 4.181 9.490 ( 3.160 2.468 4.747) 6.214 9.742 ( 1.233 -10.102 -3.373) 10.721 9.972 ( 2.531 -2.395 -0.054) 3.484 10.223 ( 6.548 14.952 0.112) 16.323 10.368 ( -2.774 4.279 4.150) 6.575 10.613 ( -2.085 2.181 -2.821) 4.130 10.935 ( 1.347 14.170 1.903) 14.361 11.118 ( 5.159 -5.243 -1.380) 7.484 11.424 ( -3.643 3.807 4.427) 6.883 11.834 ( 8.498 0.645 1.673) 8.685 12.397 ( -0.425 -19.948 -8.299) 21.610 12.881 ( -5.370 -3.173 3.210) 7.015 13.236 ( -7.700 5.407 3.189) 9.935 13.609 ( 2.759 -0.695 -4.695) 5.490 13.988 ( 10.665 9.059 -8.113) 16.174 14.812 ( 1.609 -2.345 1.565) 3.246 16.294 ( -1.530 -16.435 5.010) 17.250 ======================= Grid point 13 (12/156) ======================= q-point: ( 0.00 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -14.921 9.139 -14.218) 22.546 1.949 ( -14.598 14.623 -15.882) 26.061 3.078 ( -8.882 6.670 -25.243) 27.579 3.577 ( -6.012 -1.079 16.417) 17.516 3.756 ( 5.601 11.208 20.533) 24.054 4.445 ( -1.202 -3.241 3.072) 4.625 4.700 ( 5.198 -4.354 -12.171) 13.932 5.146 ( 1.374 -2.821 -8.208) 8.787 5.315 ( 3.474 6.886 18.341) 19.897 5.540 ( -8.147 3.315 -0.068) 8.796 5.729 ( -6.463 8.828 -8.071) 13.596 6.595 ( 7.153 -1.726 -3.251) 8.045 6.698 ( 5.282 -6.839 -1.615) 8.791 6.709 ( -7.389 -9.439 1.246) 12.051 7.719 ( -2.288 11.459 4.459) 12.507 8.220 ( -1.446 -2.989 -1.583) 3.678 8.504 ( 8.413 -1.487 9.381) 12.688 8.795 ( -4.140 -4.773 5.049) 8.088 9.134 ( -2.638 7.542 5.105) 9.482 9.527 ( -0.735 -8.917 4.158) 9.866 9.679 ( 5.565 8.553 -0.646) 10.225 9.865 ( -2.157 0.765 -7.979) 8.301 10.285 ( -3.502 -0.843 -1.133) 3.776 10.407 ( -0.554 4.427 -1.878) 4.841 10.559 ( 0.207 -6.161 1.840) 6.433 11.124 ( 3.480 -8.355 -10.004) 13.490 11.248 ( 10.450 13.058 1.226) 16.770 11.656 ( 2.077 -6.650 -3.022) 7.594 12.006 ( -8.498 -9.542 -2.373) 12.996 12.223 ( 1.560 1.632 7.799) 8.119 12.806 ( 5.079 -3.446 -0.072) 6.139 13.124 ( 1.509 -10.430 -0.419) 10.547 13.673 ( 1.595 6.442 -2.330) 7.034 14.115 ( 0.691 3.754 -4.306) 5.755 14.594 ( -1.319 0.872 -17.288) 17.361 16.604 ( 2.491 -3.940 18.711) 19.283 ======================= Grid point 15 (13/156) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 8.442 10.820 0.000) 13.724 2.193 ( 7.331 20.319 0.000) 21.601 2.893 ( 5.359 9.082 0.000) 10.545 4.062 ( -7.960 1.361 -0.000) 8.076 4.095 ( -1.181 -2.123 -0.000) 2.430 4.398 ( 14.699 -2.676 0.000) 14.940 4.514 ( -5.582 -4.011 -0.000) 6.874 4.863 ( 5.391 -4.124 0.000) 6.787 5.561 ( -12.821 -13.787 -0.000) 18.827 5.606 ( 5.040 -2.011 0.000) 5.426 5.941 ( 3.980 4.645 0.000) 6.117 6.353 ( -1.520 1.253 -0.000) 1.970 6.477 ( -3.617 3.534 -0.000) 5.057 6.509 ( -1.847 -3.503 -0.000) 3.960 8.100 ( 1.114 -1.022 0.000) 1.512 8.216 ( 6.123 7.450 0.000) 9.643 8.704 ( -4.601 -0.849 -0.000) 4.679 8.745 ( 6.836 -4.292 0.000) 8.072 9.227 ( -0.079 -7.779 0.000) 7.779 9.437 ( 2.025 0.777 0.000) 2.169 9.604 ( -9.310 3.843 -0.000) 10.072 9.919 ( -11.768 4.502 -0.000) 12.600 10.246 ( 3.584 9.085 0.000) 9.767 10.485 ( 8.456 -1.813 0.000) 8.649 10.596 ( 6.684 1.213 0.000) 6.793 10.691 ( -5.440 2.727 -0.000) 6.086 11.227 ( -1.971 9.268 -0.000) 9.475 11.698 ( 11.575 0.123 0.000) 11.576 12.120 ( -2.365 -15.869 0.000) 16.045 12.201 ( -1.158 -6.724 0.000) 6.823 12.738 ( -17.738 8.434 -0.000) 19.641 13.288 ( 19.829 8.271 0.000) 21.485 13.613 ( -4.844 -15.242 -0.000) 15.993 13.962 ( 14.879 -2.849 0.000) 15.149 14.284 ( -11.059 13.780 -0.000) 17.669 16.570 ( -15.683 -15.259 -0.000) 21.881 ======================= Grid point 16 (14/156) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 7.653 4.604 0.623) 8.953 2.537 ( 5.184 10.365 4.654) 12.489 3.044 ( -0.560 0.747 3.073) 3.212 3.701 ( -8.401 3.372 2.757) 9.463 4.067 ( -9.637 -0.068 1.626) 9.774 4.179 ( -3.818 -3.637 6.330) 8.238 4.790 ( 3.002 -4.255 -7.143) 8.840 5.035 ( 6.471 -10.557 0.189) 12.384 5.408 ( 7.094 -1.860 -9.323) 11.862 5.668 ( -2.282 -10.957 -1.752) 11.329 6.019 ( 3.082 2.716 -3.074) 5.131 6.281 ( 1.114 -2.122 2.452) 3.429 6.456 ( 0.714 -0.978 0.116) 1.216 6.568 ( -1.342 0.260 3.070) 3.360 7.941 ( -12.691 -0.061 1.180) 12.746 8.077 ( -2.056 -1.155 4.486) 5.068 8.737 ( 6.254 2.952 -9.674) 11.892 9.067 ( -10.665 4.157 -1.121) 11.501 9.172 ( 4.166 -1.168 -5.139) 6.718 9.337 ( 5.419 -0.202 1.429) 5.608 9.581 ( 4.301 1.143 0.430) 4.471 9.779 ( 3.564 -2.298 7.731) 8.817 10.379 ( 5.523 14.316 0.362) 15.348 10.507 ( -3.868 5.583 0.460) 6.807 10.686 ( -0.192 -1.403 0.538) 1.515 10.882 ( 2.840 7.540 6.649) 10.446 11.365 ( 4.379 17.037 -3.993) 18.039 11.586 ( -3.223 1.321 1.053) 3.639 11.854 ( -18.733 4.369 -1.344) 19.282 12.131 ( 4.574 -19.834 -7.730) 21.773 12.549 ( 1.569 -15.218 7.706) 17.130 13.454 ( -1.803 -16.799 -4.420) 17.464 13.766 ( -11.334 18.920 1.751) 22.124 14.077 ( 19.151 11.286 -8.978) 23.974 14.518 ( 8.001 0.398 12.958) 15.234 15.998 ( -9.262 -23.446 -3.375) 25.434 ======================= Grid point 17 (15/156) ======================= q-point: ( 0.00 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -7.416 1.572 -9.332) 12.023 2.623 ( -0.648 9.598 -8.753) 13.006 3.314 ( 2.216 0.182 -1.191) 2.522 3.484 ( -5.676 2.815 9.389) 11.327 3.606 ( -7.742 11.061 19.206) 23.477 4.559 ( 2.791 1.538 1.061) 3.359 4.606 ( 3.511 -5.381 -8.554) 10.699 5.033 ( 0.384 -3.996 -2.828) 4.910 5.255 ( 0.327 -2.492 -3.210) 4.077 5.724 ( 0.805 -3.862 -3.995) 5.614 6.038 ( -1.612 2.159 -4.211) 5.000 6.439 ( 3.250 -4.224 -1.016) 5.426 6.489 ( 1.822 -4.940 -2.389) 5.782 6.662 ( 0.324 -0.591 7.304) 7.336 7.756 ( 4.110 5.676 8.861) 11.297 8.044 ( -6.655 -0.055 6.631) 9.395 8.638 ( -4.891 5.171 -6.398) 9.571 8.733 ( -3.258 -0.739 2.835) 4.382 9.168 ( 1.296 4.926 1.746) 5.385 9.524 ( -3.100 -1.877 -5.959) 6.975 9.670 ( 9.989 -3.859 -5.802) 12.179 10.008 ( 0.427 2.049 -3.265) 3.878 10.371 ( -6.205 2.293 3.905) 7.681 10.493 ( -7.582 -0.873 -2.147) 7.928 10.606 ( 3.467 10.140 -4.008) 11.441 11.042 ( 2.128 -6.527 -0.316) 6.872 11.329 ( 3.707 13.117 1.778) 13.746 11.481 ( 2.357 0.634 11.156) 11.419 11.879 ( -3.679 -17.301 -9.627) 20.138 12.083 ( 4.349 2.512 5.861) 7.719 12.653 ( 2.301 -11.902 3.368) 12.581 13.077 ( -12.210 6.373 5.993) 15.020 13.712 ( 5.994 -2.398 -6.515) 9.172 14.272 ( -3.162 1.846 -1.806) 4.082 14.886 ( 8.276 2.815 -16.283) 18.481 16.040 ( 7.585 -11.609 13.483) 19.341 ======================= Grid point 18 (16/156) ======================= q-point: ( 0.00 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -14.625 8.195 -17.898) 24.523 2.069 ( -4.484 15.121 -13.716) 20.901 3.290 ( 4.843 6.306 -14.077) 16.168 3.455 ( -4.434 3.646 12.855) 14.078 4.033 ( 0.194 9.626 15.955) 18.635 4.454 ( 1.792 3.674 7.180) 8.262 4.771 ( 6.755 -0.489 -15.901) 17.284 5.171 ( 2.385 1.847 -4.366) 5.307 5.405 ( -5.721 -1.239 14.063) 15.232 5.470 ( -6.311 5.750 -3.889) 9.382 5.811 ( -0.192 6.799 -3.443) 7.624 6.440 ( -0.303 -3.731 -0.914) 3.853 6.647 ( 4.989 -3.764 3.732) 7.279 6.718 ( 4.508 -4.474 -3.669) 7.334 7.834 ( -6.662 9.026 2.403) 11.473 8.195 ( 0.467 1.888 0.175) 1.953 8.549 ( 0.884 -5.247 2.644) 5.942 8.729 ( 3.443 -0.167 10.087) 10.660 9.145 ( -6.779 4.606 -4.424) 9.313 9.443 ( 4.895 -6.311 11.905) 14.336 9.871 ( 0.591 0.335 -8.751) 8.777 9.977 ( 7.015 5.017 -0.862) 8.667 10.191 ( -0.484 -2.505 -2.112) 3.312 10.307 ( -7.797 -3.407 -0.146) 8.510 10.501 ( -3.982 3.396 0.218) 5.238 10.932 ( -4.803 -9.884 -4.442) 11.853 11.244 ( 6.423 -16.367 -15.253) 23.276 11.660 ( -1.596 0.528 0.338) 1.715 11.855 ( -4.020 -2.439 12.797) 13.634 12.276 ( 4.390 6.069 1.383) 7.617 12.946 ( 1.099 -2.737 2.908) 4.142 13.022 ( 10.413 -0.732 -1.948) 10.619 13.709 ( -5.440 1.106 -0.899) 5.624 13.989 ( -5.293 -6.510 -4.371) 9.460 14.682 ( 0.956 5.313 -16.518) 17.378 16.691 ( 7.312 0.375 16.295) 17.864 ======================= Grid point 19 (17/156) ======================= q-point: ( 0.00 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 21.438 16.625 -3.316) 27.331 1.880 ( 6.355 19.819 -8.462) 22.468 2.979 ( -1.643 27.959 -18.234) 33.420 3.773 ( 5.295 -10.095 14.856) 18.725 4.057 ( -6.036 3.041 9.340) 11.529 4.446 ( -3.504 0.934 -5.910) 6.934 4.720 ( -7.554 4.881 0.270) 8.998 4.933 ( -2.941 -9.784 -4.475) 11.154 5.451 ( 7.169 1.909 -8.257) 11.100 5.565 ( 5.912 5.767 12.718) 15.165 5.722 ( 0.033 7.218 2.124) 7.524 6.379 ( -0.964 -3.058 -2.612) 4.135 6.755 ( -2.701 -2.538 -1.949) 4.187 6.865 ( -5.336 -1.622 -4.413) 7.112 7.785 ( 3.380 6.484 7.762) 10.664 8.104 ( 2.721 3.508 -8.500) 9.590 8.588 ( -3.489 -8.096 9.272) 12.794 8.938 ( -2.017 -1.701 -0.331) 2.660 8.995 ( 6.266 -5.155 -1.597) 8.270 9.696 ( -5.849 4.317 -0.556) 7.291 9.746 ( -3.710 4.213 0.937) 5.691 10.010 ( -0.769 6.463 10.048) 11.971 10.192 ( 5.992 -12.275 -0.457) 13.667 10.355 ( -2.076 3.796 -2.721) 5.111 10.517 ( 4.253 -13.068 -6.799) 15.333 10.659 ( 4.847 0.280 4.546) 6.651 11.239 ( -2.277 2.100 1.206) 3.324 11.534 ( -1.653 -5.465 -14.520) 15.602 12.107 ( 3.192 -11.055 12.022) 16.641 12.433 ( 0.120 16.042 -1.087) 16.079 12.800 ( -2.554 -9.438 -0.927) 9.821 13.117 ( -1.096 0.845 -5.475) 5.648 13.498 ( 3.034 2.457 -0.682) 3.964 13.821 ( -0.701 -7.587 -5.175) 9.210 14.550 ( 0.056 9.566 -5.312) 10.941 16.986 ( -8.035 -5.224 11.643) 15.080 ======================= Grid point 20 (18/156) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 2.926 5.472 0.000) 6.206 2.552 ( 2.898 4.327 0.000) 5.207 3.118 ( 0.348 12.684 -0.000) 12.689 3.824 ( -10.517 -7.369 -0.000) 12.842 4.034 ( 4.145 -6.016 0.000) 7.306 4.352 ( -14.135 1.371 -0.000) 14.202 4.627 ( 10.516 -0.213 0.000) 10.519 4.854 ( 1.039 -3.952 0.000) 4.087 5.223 ( 6.628 -6.826 0.000) 9.514 5.542 ( -2.084 -4.620 -0.000) 5.068 6.083 ( 0.687 6.000 -0.000) 6.040 6.281 ( -2.977 -2.219 -0.000) 3.713 6.485 ( -0.638 0.282 -0.000) 0.697 6.489 ( 0.250 0.190 0.000) 0.314 8.005 ( 1.464 -7.052 0.000) 7.202 8.204 ( -12.804 0.504 -0.000) 12.814 8.805 ( 10.764 1.588 0.000) 10.880 8.918 ( 7.856 2.256 0.000) 8.173 9.201 ( 4.203 0.520 0.000) 4.235 9.443 ( -11.812 1.888 -0.000) 11.962 9.503 ( 4.522 -0.630 0.000) 4.565 9.770 ( -10.877 3.079 -0.000) 11.305 10.608 ( 4.106 15.263 0.000) 15.806 10.654 ( 0.001 0.213 -0.000) 0.213 10.713 ( 6.931 0.850 0.000) 6.983 10.735 ( 6.575 10.256 0.000) 12.182 11.482 ( 9.794 5.601 0.000) 11.283 11.729 ( -10.473 -2.419 -0.000) 10.749 11.756 ( -2.901 -13.626 -0.000) 13.931 12.063 ( 12.346 -14.060 0.000) 18.711 12.579 ( -21.616 16.335 -0.000) 27.094 13.061 ( -3.026 -26.435 0.000) 26.608 13.976 ( 17.504 12.136 0.000) 21.300 14.147 ( 12.950 -6.316 0.000) 14.408 14.405 ( -8.026 22.982 -0.000) 24.343 15.870 ( -19.164 -21.167 -0.000) 28.554 ======================= Grid point 21 (19/156) ======================= q-point: ( 0.00 -0.80 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -0.346 -3.909 -4.501) 5.971 2.628 ( 7.514 -0.753 0.862) 7.600 3.315 ( 6.463 15.589 5.166) 17.649 3.544 ( -6.494 -2.311 5.617) 8.892 3.782 ( -14.799 6.295 6.553) 17.367 4.323 ( 10.726 2.828 -0.883) 11.127 4.723 ( -2.846 -4.661 -6.187) 8.253 4.909 ( 3.036 -9.644 2.115) 10.329 5.311 ( -8.144 -7.248 -3.454) 11.436 5.571 ( 9.008 -4.683 -4.891) 11.270 6.141 ( 0.930 0.251 -5.682) 5.763 6.222 ( 4.441 -3.797 2.462) 6.341 6.517 ( -3.035 -0.495 2.790) 4.152 6.548 ( 2.458 3.715 4.664) 6.450 7.749 ( -8.041 2.948 1.795) 8.751 8.089 ( 3.136 4.135 0.741) 5.242 8.803 ( -8.054 -0.471 -2.103) 8.338 8.910 ( -4.259 2.063 -3.472) 5.870 9.283 ( 4.826 1.765 -9.668) 10.949 9.401 ( 7.675 -6.769 -1.674) 10.369 9.602 ( -0.927 -0.135 3.293) 3.423 9.936 ( 9.275 0.678 6.528) 11.362 10.520 ( -5.123 3.428 -0.765) 6.211 10.602 ( -3.037 0.448 0.632) 3.134 10.803 ( 7.353 8.807 -8.419) 14.230 11.164 ( -1.013 16.324 7.700) 18.077 11.263 ( -11.490 -8.841 -0.822) 14.521 11.495 ( -10.412 -0.248 7.090) 12.599 11.879 ( -2.260 -9.205 -9.152) 13.176 12.053 ( 3.367 15.333 1.839) 15.806 12.195 ( 5.363 -11.811 7.157) 14.815 13.197 ( 4.269 -11.551 -1.392) 12.393 13.803 ( -9.479 8.789 -0.722) 12.947 14.335 ( -5.271 -3.633 2.005) 6.708 14.991 ( 18.894 12.534 -8.174) 24.102 15.428 ( 3.380 -20.142 5.041) 21.036 ======================= Grid point 22 (20/156) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -8.162 3.888 -7.430) 11.701 2.613 ( -10.187 0.877 -12.260) 15.964 3.252 ( -2.954 -4.545 -4.211) 6.864 3.500 ( 0.173 9.667 9.493) 13.549 3.914 ( 2.613 13.798 17.319) 22.297 4.471 ( 0.571 -0.274 -3.634) 3.688 4.865 ( 16.323 -4.410 0.466) 16.915 5.043 ( 4.569 1.342 -9.713) 10.817 5.153 ( -3.571 -4.581 12.779) 14.037 5.714 ( 0.879 0.023 -4.783) 4.863 5.981 ( -1.597 -0.465 -5.743) 5.978 6.408 ( 0.255 -0.727 -3.192) 3.283 6.427 ( 2.419 -3.907 3.478) 5.763 6.693 ( 1.570 0.369 -1.002) 1.899 7.848 ( 1.010 -0.629 13.039) 13.094 8.214 ( 2.950 16.012 3.956) 16.755 8.610 ( -2.412 -3.350 -13.104) 13.739 8.619 ( -3.884 -0.200 7.087) 8.084 9.209 ( -4.452 0.933 6.305) 7.774 9.481 ( -2.412 4.136 -9.835) 10.939 9.815 ( 14.507 -8.243 -6.443) 17.886 10.027 ( -7.787 2.568 -1.511) 8.337 10.158 ( -2.208 -5.822 -4.879) 7.911 10.381 ( -6.801 1.919 4.794) 8.539 10.739 ( -6.607 4.138 -4.532) 9.017 10.916 ( -2.275 -5.623 -0.834) 6.123 11.271 ( -2.436 -9.310 -8.586) 12.897 11.540 ( 0.375 1.821 12.878) 13.011 11.651 ( -4.025 -4.334 1.706) 6.156 12.200 ( 9.140 1.808 2.141) 9.560 12.786 ( 10.879 6.360 4.644) 13.431 13.029 ( -9.340 8.746 6.804) 14.492 13.719 ( 3.104 -5.908 -4.411) 8.000 14.016 ( -6.763 -10.581 -2.599) 12.823 15.016 ( 0.455 -1.351 -12.276) 12.359 16.225 ( 17.325 2.455 8.451) 19.432 ======================= Grid point 24 (21/156) ======================= q-point: ( 0.00 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 3.259 11.258 -1.619) 11.831 2.340 ( 14.725 13.481 -1.144) 19.997 3.296 ( -2.740 10.906 -7.004) 13.248 3.717 ( 6.351 -9.434 6.565) 13.131 4.043 ( 0.879 -0.544 2.247) 2.473 4.394 ( -4.070 3.317 -2.582) 5.851 4.646 ( -4.230 -1.100 -4.223) 6.077 4.747 ( -1.722 -1.168 -3.431) 4.013 5.446 ( -8.420 -2.958 10.439) 13.734 5.646 ( 2.244 -1.619 -7.353) 7.856 5.960 ( 2.664 7.562 4.552) 9.220 6.318 ( -1.873 0.168 2.123) 2.836 6.539 ( -9.223 -3.936 1.568) 10.149 6.761 ( -2.490 -0.616 -8.961) 9.321 7.853 ( 2.218 -6.011 5.355) 8.350 8.269 ( 8.387 4.741 -8.341) 12.743 8.637 ( 3.427 7.133 8.018) 11.265 8.752 ( -6.167 -7.970 -0.208) 10.079 9.034 ( 4.713 0.418 -1.045) 4.846 9.647 ( -9.628 5.284 -0.179) 10.984 9.720 ( -4.421 -0.144 5.078) 6.735 10.104 ( -1.680 5.538 5.955) 8.304 10.172 ( 12.534 -7.889 -0.808) 14.832 10.411 ( 4.694 -0.147 -6.069) 7.674 10.470 ( 4.175 5.893 -0.994) 7.290 10.819 ( 4.345 1.204 -1.665) 4.806 11.336 ( 3.994 0.146 5.912) 7.136 11.394 ( 2.905 -3.320 -6.789) 8.096 11.914 ( -1.451 -9.371 4.595) 10.537 12.263 ( -14.532 -5.320 0.033) 15.475 12.954 ( 2.150 1.505 1.547) 3.047 13.164 ( 8.879 0.322 -6.932) 11.269 13.550 ( -1.866 0.896 1.613) 2.624 13.714 ( 4.109 -1.260 -4.715) 6.380 14.729 ( -3.063 12.309 -3.164) 13.073 16.578 ( -17.255 -11.055 6.491) 21.496 ======================= Grid point 25 (22/156) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -2.123 -4.018 -0.000) 4.544 2.529 ( 2.123 4.018 0.000) 4.544 3.442 ( -6.427 -12.999 -0.000) 14.501 3.442 ( 6.427 12.999 0.000) 14.501 4.093 ( -13.199 3.918 -0.000) 13.769 4.093 ( 13.199 -3.918 0.000) 13.769 4.778 ( -2.864 -2.527 -0.000) 3.819 4.778 ( 2.864 2.527 0.000) 3.819 5.384 ( -9.421 -0.720 -0.000) 9.448 5.384 ( 9.421 0.720 0.000) 9.448 6.189 ( -1.315 -3.217 -0.000) 3.476 6.189 ( 1.315 3.217 0.000) 3.476 6.485 ( -0.879 0.382 -0.000) 0.959 6.485 ( 0.879 -0.382 0.000) 0.959 7.994 ( -8.294 2.442 -0.000) 8.646 7.994 ( 8.294 -2.442 0.000) 8.646 8.993 ( -0.930 -3.566 -0.000) 3.685 8.993 ( 0.930 3.566 0.000) 3.685 9.291 ( -7.524 3.112 -0.000) 8.142 9.291 ( 7.524 -3.112 0.000) 8.142 9.617 ( -9.582 1.891 -0.000) 9.767 9.617 ( 9.582 -1.891 0.000) 9.767 10.671 ( -0.644 -0.711 -0.000) 0.959 10.671 ( 0.644 0.711 0.000) 0.959 11.035 ( 3.246 -4.370 0.000) 5.444 11.035 ( -3.246 4.370 -0.000) 5.444 11.409 ( -3.436 -2.082 -0.000) 4.018 11.409 ( 3.436 2.082 0.000) 4.018 11.939 ( -6.643 -9.358 -0.000) 11.477 11.939 ( 6.643 9.358 0.000) 11.477 12.610 ( 13.567 -25.294 0.000) 28.703 12.610 ( -13.567 25.294 -0.000) 28.703 14.208 ( 7.249 -8.186 0.000) 10.934 14.208 ( -7.249 8.186 -0.000) 10.934 15.047 ( -16.996 -25.734 -0.000) 30.840 15.047 ( 16.996 25.734 0.000) 30.840 ======================= Grid point 27 (23/156) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -1.730 -4.584 -2.619) 5.555 2.692 ( 2.275 -7.921 0.332) 8.248 3.405 ( -0.888 -4.138 4.120) 5.907 3.619 ( -5.105 11.495 -2.948) 12.919 3.881 ( 1.586 14.712 10.659) 18.236 4.472 ( 1.393 -7.591 -6.040) 9.801 4.602 ( -0.620 2.010 -5.588) 5.970 4.809 ( 0.918 -7.418 11.831) 13.994 5.150 ( 6.209 1.516 -4.594) 7.871 5.635 ( 4.492 -2.755 0.858) 5.339 6.085 ( -0.104 -3.701 -7.896) 8.721 6.287 ( 2.908 -0.203 -0.360) 2.937 6.441 ( -1.163 -1.114 0.472) 1.679 6.669 ( 2.858 3.047 6.856) 8.029 7.752 ( -3.217 7.527 1.123) 8.263 8.374 ( 10.467 9.202 -1.510) 14.019 8.557 ( -11.405 -2.916 3.977) 12.425 8.840 ( -3.998 -2.816 -8.159) 9.512 9.231 ( -6.988 -4.710 4.740) 9.669 9.496 ( 13.064 -3.566 -8.843) 16.173 9.638 ( 4.810 -1.150 -2.072) 5.362 10.079 ( 5.387 -0.430 4.201) 6.845 10.374 ( -10.288 -2.345 -6.771) 12.538 10.536 ( -8.636 3.444 1.512) 9.420 10.794 ( -9.342 -8.264 0.870) 12.502 10.947 ( -3.414 -7.707 8.664) 12.088 11.256 ( -3.688 8.205 -5.033) 10.308 11.524 ( -6.105 5.319 1.761) 8.287 11.764 ( -0.557 4.756 -0.205) 4.793 11.948 ( 9.122 -4.424 0.447) 10.148 12.718 ( 10.088 15.991 0.523) 18.914 13.150 ( 4.303 -1.777 5.786) 7.426 13.744 ( -10.044 3.235 -2.423) 10.827 13.954 ( -11.087 -13.526 0.584) 17.500 14.931 ( 3.578 -16.014 -0.341) 16.412 15.916 ( 24.035 14.503 -2.029) 28.145 ======================= Grid point 28 (24/156) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -16.650 -1.944 -6.585) 18.010 2.443 ( -1.125 -3.809 2.396) 4.639 3.107 ( -5.164 1.049 -8.692) 10.165 3.737 ( 4.763 4.769 6.454) 9.332 4.091 ( -0.284 2.596 5.680) 6.251 4.528 ( 3.526 -0.620 -1.424) 3.853 4.913 ( 0.852 -5.915 11.002) 12.520 5.068 ( 12.061 -3.833 9.411) 15.771 5.262 ( 3.104 2.722 -15.310) 15.857 5.661 ( -5.180 -0.414 0.876) 5.270 5.973 ( 0.057 -2.041 -2.316) 3.088 6.392 ( 0.214 -1.256 2.864) 3.135 6.531 ( 6.777 2.749 -3.613) 8.157 6.767 ( 2.175 4.570 -4.277) 6.626 7.880 ( 2.219 -0.450 7.886) 8.204 8.354 ( -7.383 0.457 11.472) 13.650 8.478 ( -2.899 -2.770 -11.182) 11.879 8.676 ( 3.895 5.271 -1.872) 6.817 9.097 ( -0.140 -5.011 3.275) 5.988 9.474 ( -9.460 6.033 -9.354) 14.608 9.848 ( -2.041 1.361 1.402) 2.825 9.956 ( 7.008 -3.194 2.911) 8.233 10.144 ( 3.811 -3.279 -5.520) 7.466 10.313 ( -3.869 2.780 3.732) 6.052 10.545 ( -6.028 -5.377 -5.536) 9.792 10.778 ( -2.799 -3.609 1.637) 4.851 11.210 ( -2.876 1.135 -5.989) 6.740 11.403 ( -2.249 0.383 3.531) 4.204 11.670 ( 0.363 3.164 0.580) 3.238 12.462 ( 7.303 5.470 4.486) 10.167 12.898 ( -9.293 0.231 2.651) 9.666 13.137 ( 9.118 2.741 1.880) 9.705 13.638 ( -0.834 -2.972 0.724) 3.171 13.791 ( -0.361 -4.448 -0.296) 4.473 14.926 ( -1.831 -4.605 -1.994) 5.342 16.603 ( 10.876 4.782 -1.659) 11.996 ======================= Grid point 51 (25/156) ======================= q-point: ( 0.05 -0.05 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -22.209 14.847 -0.000) 26.715 0.597 ( -30.417 0.084 -0.000) 30.417 1.076 ( -54.020 -5.922 -0.000) 54.344 4.198 ( -4.687 -3.047 -0.000) 5.591 4.267 ( 2.592 0.728 0.000) 2.692 4.401 ( 6.360 2.138 0.000) 6.710 4.520 ( -5.508 -2.248 -0.000) 5.949 4.988 ( -4.370 0.574 -0.000) 4.408 5.184 ( -5.521 0.135 -0.000) 5.523 5.574 ( 15.686 0.961 0.000) 15.715 5.847 ( 0.777 -1.461 0.000) 1.654 6.112 ( -11.277 0.210 -0.000) 11.279 6.927 ( 1.743 0.933 0.000) 1.977 7.019 ( 8.549 1.339 0.000) 8.653 7.565 ( -6.934 -0.306 -0.000) 6.941 7.768 ( -1.766 -0.262 -0.000) 1.785 8.757 ( -5.357 1.534 -0.000) 5.572 9.017 ( 2.406 0.063 0.000) 2.407 9.473 ( 10.581 -4.832 0.000) 11.632 9.598 ( -2.230 4.100 -0.000) 4.667 9.733 ( 0.463 -13.853 0.000) 13.860 9.899 ( -4.949 8.332 -0.000) 9.691 10.445 ( 10.792 0.461 0.000) 10.802 10.673 ( 12.538 10.085 0.000) 16.090 10.705 ( 5.117 -5.301 0.000) 7.368 11.074 ( 9.786 -10.771 0.000) 14.553 11.202 ( -10.783 -16.292 -0.000) 19.537 11.250 ( 1.728 17.766 -0.000) 17.850 11.363 ( -23.358 11.709 -0.000) 26.128 12.738 ( 7.891 -1.747 0.000) 8.083 12.851 ( -4.429 1.186 -0.000) 4.585 13.293 ( 9.032 -0.418 0.000) 9.042 13.387 ( -2.721 -3.446 -0.000) 4.390 14.025 ( 3.342 -0.998 0.000) 3.488 14.136 ( -6.857 1.299 -0.000) 6.979 17.369 ( 2.329 0.534 0.000) 2.389 ======================= Grid point 52 (26/156) ======================= q-point: ( 0.05 0.15 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 11.852 -3.267 24.318) 27.249 0.889 ( 23.198 -0.801 21.797) 31.842 1.579 ( 33.915 1.747 45.864) 57.069 3.932 ( 1.928 -3.287 -20.678) 21.027 4.000 ( 4.252 4.694 -23.793) 24.621 4.409 ( 2.466 0.221 4.719) 5.329 4.676 ( 1.167 -0.956 13.822) 13.904 4.864 ( 14.936 -0.117 4.581) 15.623 5.201 ( 5.407 0.096 1.855) 5.717 5.531 ( -15.073 -2.250 -7.624) 17.041 5.729 ( 0.409 3.419 -12.805) 13.260 6.461 ( -1.659 -0.799 12.277) 12.415 6.905 ( -0.871 -0.321 -2.266) 2.449 7.011 ( -6.264 -0.867 -1.369) 6.471 7.618 ( -9.118 0.317 3.602) 9.809 8.026 ( -4.292 -0.023 17.605) 18.121 8.754 ( 3.697 -0.366 -1.176) 3.896 8.961 ( 5.081 -0.773 -5.860) 7.794 9.279 ( -11.522 1.101 -13.759) 17.980 9.521 ( 6.757 1.870 -8.136) 10.740 9.717 ( 6.408 -2.332 -14.458) 15.986 9.906 ( -1.200 7.107 11.048) 13.191 10.133 ( 14.437 -4.419 -9.090) 17.624 10.443 ( -7.032 -2.414 -2.415) 7.817 10.695 ( -16.068 -2.089 1.158) 16.244 11.117 ( 2.749 5.890 -2.190) 6.859 11.256 ( 8.269 2.637 1.848) 8.874 11.482 ( 10.927 -3.781 12.555) 17.068 12.234 ( -48.830 -7.011 41.938) 64.748 12.540 ( -5.414 2.717 -16.444) 17.524 12.914 ( 0.568 -0.265 8.647) 8.670 13.367 ( -3.056 0.371 2.867) 4.207 13.508 ( -7.553 2.137 12.676) 14.910 14.038 ( -2.830 1.771 1.172) 3.539 14.170 ( 8.848 -1.406 4.615) 10.078 16.832 ( 26.978 -0.395 -34.761) 44.003 ======================= Grid point 53 (27/156) ======================= q-point: ( 0.05 0.35 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 10.217 -4.212 15.765) 19.252 2.032 ( 16.228 -0.541 14.027) 21.457 3.331 ( -4.014 -0.089 -0.038) 4.016 3.444 ( 15.782 -2.297 2.881) 16.206 3.964 ( 10.602 6.949 -16.790) 21.038 4.494 ( 1.274 -1.899 -0.661) 2.380 4.890 ( -1.035 -3.094 13.156) 13.555 5.085 ( 2.175 8.234 -5.445) 10.108 5.332 ( 0.402 3.167 -3.637) 4.840 5.449 ( 4.547 -6.689 5.929) 10.029 5.766 ( 9.567 3.925 1.587) 10.462 6.458 ( -4.163 -0.990 3.903) 5.792 6.729 ( -1.567 -0.964 -5.652) 5.944 6.832 ( -5.921 -8.383 -0.453) 10.273 7.711 ( 10.072 5.556 -3.215) 11.944 8.219 ( -0.103 -2.222 5.532) 5.962 8.489 ( -4.556 4.905 -7.475) 10.034 8.842 ( -1.562 -5.344 -7.540) 9.373 9.031 ( 2.216 3.790 4.062) 5.981 9.536 ( -1.816 -3.270 -12.960) 13.489 9.872 ( 4.026 0.476 3.319) 5.239 10.062 ( 2.653 11.134 3.529) 11.977 10.113 ( -7.556 -7.345 2.303) 10.787 10.290 ( 0.317 -6.530 -1.412) 6.689 10.430 ( 1.731 2.703 1.059) 3.380 10.811 ( -10.348 7.241 3.292) 13.052 11.332 ( -8.706 0.945 6.364) 10.825 11.704 ( -6.952 -3.485 5.292) 9.407 11.800 ( -7.457 -2.641 -11.024) 13.569 12.386 ( 11.554 -6.135 1.578) 13.176 12.911 ( -10.641 2.902 0.063) 11.029 13.223 ( 1.314 -5.188 5.228) 7.482 13.564 ( 1.077 6.350 2.576) 6.937 13.908 ( -5.106 2.610 2.533) 6.270 14.694 ( 6.431 -0.527 11.985) 13.612 16.773 ( 2.253 -0.770 -16.493) 16.664 ======================= Grid point 54 (28/156) ======================= q-point: ( 0.05 -0.45 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -4.823 4.151 -0.140) 6.365 2.442 ( -3.277 -0.548 -2.494) 4.154 3.040 ( 3.232 1.225 7.512) 8.269 3.771 ( 2.238 1.874 -10.910) 11.294 4.100 ( 4.113 -1.348 -1.634) 4.627 4.610 ( -3.278 -4.836 10.429) 11.954 4.857 ( 3.063 4.392 -22.995) 23.610 5.240 ( 3.008 5.309 10.808) 12.411 5.350 ( -7.069 -13.054 5.394) 15.795 5.583 ( -4.030 1.404 2.878) 5.147 5.956 ( -0.199 1.640 -1.399) 2.165 6.400 ( -1.266 -0.745 -0.207) 1.483 6.604 ( 1.240 0.200 0.909) 1.550 6.784 ( 2.351 1.479 4.672) 5.435 7.926 ( 0.862 -2.376 -4.601) 5.249 8.263 ( 1.154 0.904 -9.601) 9.712 8.460 ( -0.788 -1.319 10.427) 10.540 8.701 ( 1.620 1.171 -0.256) 2.015 9.159 ( -4.460 -6.192 -5.990) 9.701 9.267 ( 6.196 9.602 4.971) 12.462 9.842 ( -0.213 -1.119 0.616) 1.294 10.059 ( -2.704 -1.612 -2.712) 4.156 10.160 ( 3.411 3.148 -1.837) 4.992 10.289 ( -1.623 -3.809 4.339) 5.997 10.469 ( -1.569 4.871 0.948) 5.204 10.752 ( -1.003 -0.453 -0.551) 1.231 11.098 ( -2.574 4.904 -6.201) 8.314 11.414 ( 5.021 -2.370 5.175) 7.590 11.705 ( -1.462 -2.141 1.523) 3.007 12.548 ( 0.617 -3.029 0.149) 3.094 12.805 ( 0.571 -0.067 -1.091) 1.233 13.285 ( -1.413 -1.201 0.761) 2.005 13.609 ( -0.631 -1.208 0.254) 1.386 13.784 ( -1.069 0.526 -0.849) 1.463 14.877 ( -3.201 2.913 -2.929) 5.226 16.714 ( 3.939 -0.371 2.462) 4.660 ======================= Grid point 55 (29/156) ======================= q-point: ( 0.05 -0.25 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -16.124 10.391 -8.587) 21.016 1.806 ( -21.926 0.873 -9.817) 24.040 3.009 ( -28.035 -0.622 -16.607) 32.590 3.707 ( 9.902 1.300 16.163) 18.999 4.161 ( 0.862 -3.443 0.181) 3.554 4.560 ( -6.994 -6.906 4.858) 10.964 4.791 ( -3.111 4.384 4.888) 7.266 4.997 ( 3.419 -5.982 -7.476) 10.167 5.319 ( -4.439 2.692 -7.942) 9.488 5.505 ( -6.840 0.334 7.524) 10.174 5.757 ( -2.627 -3.120 1.528) 4.356 6.393 ( 2.460 -0.653 -2.881) 3.845 6.740 ( 4.761 4.580 -5.808) 8.796 6.865 ( -1.730 4.503 4.562) 6.639 7.786 ( -7.631 -3.118 5.145) 9.717 8.076 ( -2.835 0.110 -8.605) 9.061 8.673 ( 7.622 -2.345 10.466) 13.158 8.899 ( 4.403 -0.056 -1.706) 4.723 9.001 ( 0.190 -3.890 1.317) 4.112 9.739 ( -2.830 -0.614 2.235) 3.658 9.788 ( 7.219 7.900 0.659) 10.722 9.963 ( 3.197 0.349 -7.152) 7.842 10.124 ( -4.549 -0.395 3.361) 5.670 10.371 ( 1.710 3.524 6.313) 7.430 10.439 ( -1.553 -4.549 3.066) 5.701 10.730 ( 9.743 -6.281 -4.675) 12.499 11.181 ( 10.867 13.306 -10.898) 20.345 11.547 ( -1.621 -4.963 -6.135) 8.056 12.063 ( 5.691 0.511 13.160) 14.347 12.350 ( -10.955 5.001 -2.717) 12.345 12.902 ( 10.354 -5.864 -0.959) 11.938 13.139 ( -5.497 3.263 -3.200) 7.149 13.526 ( -2.386 -7.767 -1.472) 8.258 13.847 ( 5.944 -2.080 -3.534) 7.221 14.505 ( -7.660 4.395 -7.342) 11.484 17.060 ( 3.831 0.653 12.552) 13.140 ======================= Grid point 57 (30/156) ======================= q-point: ( 0.05 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 9.778 21.864 15.416) 28.484 1.439 ( 22.137 9.567 13.292) 27.537 2.421 ( 33.205 6.639 23.451) 41.190 3.852 ( -3.989 0.244 -19.315) 19.724 4.147 ( 4.974 -1.343 -10.447) 11.648 4.512 ( 2.469 -0.330 5.103) 5.678 4.593 ( 2.410 -4.279 -0.322) 4.921 5.122 ( -8.287 -4.745 0.584) 9.567 5.293 ( 8.301 9.933 -0.633) 12.960 5.407 ( 8.259 6.387 4.493) 11.366 5.814 ( 1.264 0.064 -10.618) 10.693 6.443 ( -0.548 1.887 9.831) 10.026 6.743 ( -9.309 -6.626 2.064) 11.611 6.791 ( -5.781 -4.566 -1.228) 7.469 7.705 ( 8.961 4.991 -3.974) 11.000 8.037 ( 2.640 1.457 11.282) 11.678 8.764 ( -3.321 0.328 1.021) 3.490 8.975 ( -3.141 -4.314 -13.123) 14.167 9.164 ( -3.785 7.016 -12.881) 15.148 9.607 ( 1.599 -3.736 9.775) 10.586 9.804 ( 4.410 -0.083 -7.923) 9.068 9.896 ( -0.343 -15.186 -6.462) 16.507 10.114 ( -2.121 7.057 6.289) 9.688 10.381 ( 2.687 1.947 -5.139) 6.117 10.562 ( -9.326 5.151 -1.785) 10.803 11.022 ( -8.768 -5.472 8.444) 13.346 11.256 ( -19.319 -5.281 21.698) 29.528 11.559 ( 9.908 -2.482 3.029) 10.654 11.800 ( 12.636 8.782 0.151) 15.389 12.455 ( -7.000 1.011 -11.317) 13.345 12.895 ( 1.668 -6.611 2.705) 7.335 13.143 ( -9.810 -3.108 3.823) 10.978 13.629 ( 6.372 5.750 0.417) 8.592 14.019 ( -3.964 3.200 2.828) 5.827 14.299 ( 4.735 -1.876 10.817) 11.956 17.023 ( -0.546 -4.301 -17.938) 18.455 ======================= Grid point 58 (31/156) ======================= q-point: ( 0.05 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 8.457 12.929 13.487) 20.509 2.319 ( 10.294 2.052 7.737) 13.040 3.200 ( -8.228 2.225 -5.595) 10.196 3.632 ( 7.641 -3.790 3.991) 9.417 4.146 ( 1.882 -0.422 -5.080) 5.434 4.572 ( 7.173 0.772 -13.364) 15.187 4.793 ( 1.700 -6.174 19.689) 20.704 5.194 ( -3.485 -8.337 1.751) 9.204 5.332 ( 0.439 3.449 -14.023) 14.447 5.595 ( 5.842 9.069 0.252) 10.791 5.902 ( 2.662 -1.885 4.470) 5.534 6.390 ( -1.194 -2.218 1.082) 2.741 6.591 ( -2.607 -5.207 -2.243) 6.240 6.683 ( 0.470 -3.393 -2.080) 4.007 7.955 ( 3.617 4.221 -1.881) 5.869 8.284 ( 3.993 3.716 5.902) 8.036 8.488 ( 0.849 -2.188 -4.968) 5.495 8.697 ( -3.197 -0.595 -7.087) 7.798 9.210 ( 1.688 3.387 6.336) 7.380 9.313 ( -6.242 0.687 -4.647) 7.813 9.858 ( -1.005 0.419 3.972) 4.119 10.017 ( -0.214 -6.568 0.755) 6.615 10.108 ( -3.873 -5.885 2.338) 7.423 10.326 ( 2.937 5.758 -1.464) 6.628 10.527 ( -1.964 7.992 0.982) 8.288 10.802 ( -2.337 3.276 4.379) 5.947 11.038 ( -4.502 -1.992 11.492) 12.502 11.623 ( -5.236 2.083 -2.218) 6.056 11.747 ( -5.207 4.730 -11.490) 13.472 12.425 ( 7.602 -6.782 -2.767) 10.556 12.924 ( 1.448 9.006 -3.879) 9.912 13.080 ( 4.024 -12.470 1.048) 13.145 13.703 ( -1.108 4.317 -1.573) 4.727 13.858 ( -6.347 2.782 3.632) 7.824 14.768 ( 3.577 -1.683 14.193) 14.733 16.670 ( -2.125 -9.847 -10.205) 14.340 ======================= Grid point 59 (32/156) ======================= q-point: ( 0.05 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -9.042 18.709 -2.213) 20.897 2.319 ( -9.369 1.302 -7.572) 12.117 3.191 ( 7.367 3.347 11.503) 14.064 3.736 ( -5.939 -1.862 -4.250) 7.537 4.025 ( -9.450 -3.709 3.805) 10.841 4.514 ( -0.295 -1.418 -3.730) 4.001 4.788 ( -4.451 -11.415 -0.963) 12.290 5.044 ( 0.609 -1.281 -12.524) 12.604 5.287 ( -0.003 -2.795 9.323) 9.733 5.667 ( 0.199 8.172 -6.333) 10.340 5.889 ( -6.749 -0.729 1.253) 6.903 6.387 ( 1.337 -0.716 -4.790) 5.024 6.612 ( 4.931 -4.837 5.850) 9.052 6.859 ( 4.669 -0.998 3.288) 5.797 7.815 ( -6.437 -2.260 -0.581) 6.847 8.311 ( -2.846 5.181 -9.024) 10.788 8.409 ( -3.083 1.732 8.379) 9.095 8.812 ( 6.586 -1.186 3.319) 7.470 9.012 ( -2.328 -0.761 -2.374) 3.411 9.574 ( 2.494 4.136 10.361) 11.432 9.905 ( -2.039 -5.483 -6.164) 8.498 9.957 ( 7.601 5.036 -0.655) 9.141 10.053 ( -4.516 -4.921 3.840) 7.704 10.378 ( 2.981 1.092 -1.296) 3.429 10.469 ( 0.370 8.053 -0.134) 8.063 10.698 ( -4.694 2.818 -2.141) 5.878 11.232 ( 1.168 -0.052 0.296) 1.206 11.496 ( 8.031 -2.566 4.946) 9.775 11.776 ( 7.600 5.089 -0.820) 9.183 12.588 ( 5.781 -11.472 -4.279) 13.540 12.791 ( -9.032 12.012 0.879) 15.055 13.190 ( 2.410 -4.050 -3.634) 5.952 13.582 ( -3.375 0.064 -1.918) 3.883 13.792 ( 4.633 -0.232 -3.743) 5.960 14.819 ( -6.124 0.088 -4.121) 7.382 16.683 ( 3.226 -9.317 9.187) 13.476 ======================= Grid point 60 (33/156) ======================= q-point: ( 0.05 -0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -17.540 20.515 -7.708) 28.070 1.465 ( -22.841 9.161 -12.514) 27.608 2.360 ( -32.932 7.263 -27.832) 43.725 3.958 ( 6.924 3.659 16.223) 18.014 3.960 ( -4.451 -4.839 17.080) 18.302 4.459 ( 0.592 1.566 -5.136) 5.402 4.640 ( -2.887 -6.482 -7.264) 10.154 5.123 ( 9.022 -3.824 0.254) 9.802 5.342 ( -11.473 9.423 0.629) 14.860 5.402 ( -5.844 4.359 -4.628) 8.635 5.696 ( 2.625 1.674 13.942) 14.285 6.439 ( 2.415 0.173 -10.751) 11.020 6.825 ( 4.721 -4.787 0.297) 6.730 6.884 ( 0.272 -5.843 -2.354) 6.305 7.647 ( -5.990 5.435 6.585) 10.430 8.035 ( -2.711 1.546 -12.263) 12.654 8.788 ( 5.794 -0.531 9.143) 10.837 8.941 ( 4.064 -6.673 3.418) 8.528 9.130 ( 6.412 10.844 2.443) 12.833 9.616 ( -5.722 -0.881 7.071) 9.139 9.667 ( 0.004 -9.082 -9.812) 13.370 9.900 ( -4.603 0.667 13.260) 14.052 10.282 ( -3.668 -4.381 -2.462) 6.222 10.352 ( 2.820 0.167 3.818) 4.749 10.690 ( 5.190 10.404 5.814) 13.000 10.857 ( 19.173 -1.295 -12.532) 22.942 11.174 ( -4.113 -3.742 -1.430) 5.742 11.642 ( 5.942 -8.835 -20.599) 23.188 12.008 ( -19.629 5.083 -1.484) 20.330 12.379 ( 9.819 0.968 11.887) 15.449 12.913 ( 0.096 -5.778 0.454) 5.796 13.173 ( 8.406 -2.818 -9.388) 12.912 13.478 ( -0.021 7.159 -1.357) 7.287 13.962 ( 6.252 1.659 -3.591) 7.398 14.370 ( -8.831 -0.321 -6.908) 11.217 17.040 ( -0.088 -4.405 18.022) 18.553 ======================= Grid point 61 (34/156) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 21.515 19.766 0.000) 29.217 1.307 ( 12.370 25.379 0.000) 28.233 2.070 ( 8.218 39.628 0.000) 40.471 4.107 ( -0.388 -4.154 0.000) 4.172 4.249 ( -6.242 5.102 -0.000) 8.062 4.285 ( 0.706 -8.747 0.000) 8.775 4.585 ( -1.272 4.717 -0.000) 4.885 5.183 ( -9.688 -12.069 -0.000) 15.477 5.259 ( 11.019 4.210 0.000) 11.796 5.416 ( 7.220 12.419 0.000) 14.366 5.849 ( 3.751 -3.265 0.000) 4.973 6.294 ( 0.703 5.604 -0.000) 5.648 6.788 ( -5.814 -8.699 -0.000) 10.463 6.879 ( -5.735 -1.073 -0.000) 5.834 7.788 ( 5.279 10.135 0.000) 11.427 7.836 ( 3.025 3.243 0.000) 4.434 8.848 ( -2.348 6.006 -0.000) 6.448 9.023 ( -6.706 -19.827 -0.000) 20.930 9.141 ( 15.126 -7.856 0.000) 17.044 9.532 ( -8.835 2.762 -0.000) 9.257 9.711 ( -0.689 5.261 -0.000) 5.306 10.083 ( 2.597 4.208 0.000) 4.945 10.230 ( -8.459 0.556 -0.000) 8.478 10.475 ( 2.324 -12.289 0.000) 12.507 10.638 ( -10.181 -9.910 -0.000) 14.208 10.781 ( 8.728 -4.069 0.000) 9.630 11.171 ( -1.732 5.503 -0.000) 5.769 11.353 ( -2.997 0.951 -0.000) 3.144 12.008 ( 7.486 22.268 0.000) 23.492 12.515 ( -1.236 -12.565 0.000) 12.625 12.963 ( -1.537 5.706 -0.000) 5.910 13.019 ( -3.334 -11.850 -0.000) 12.310 13.467 ( 8.297 0.199 0.000) 8.299 13.919 ( -0.070 -7.473 0.000) 7.473 14.309 ( -1.115 9.465 -0.000) 9.530 17.231 ( -7.323 -5.304 -0.000) 9.042 ======================= Grid point 62 (35/156) ======================= q-point: ( 0.05 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 8.098 24.139 8.460) 26.830 2.009 ( 14.419 10.511 8.049) 19.575 2.940 ( 14.239 -0.838 11.881) 18.564 3.827 ( -4.943 6.633 -11.492) 14.160 4.161 ( 1.493 -3.940 -5.408) 6.856 4.398 ( 0.527 -5.272 6.256) 8.198 4.729 ( 8.647 -0.978 -13.830) 16.340 4.901 ( -0.301 -6.259 12.070) 13.600 5.598 ( 1.434 5.982 -2.054) 6.486 5.664 ( -4.276 -10.345 -8.116) 13.826 5.788 ( 9.248 10.510 -1.435) 14.073 6.424 ( -6.029 -8.300 5.094) 11.454 6.505 ( -1.959 4.112 6.073) 7.591 6.611 ( -1.974 -4.341 -0.644) 4.811 7.994 ( 7.376 5.354 -2.566) 9.469 8.169 ( 4.263 4.722 6.567) 9.143 8.591 ( -8.001 -3.625 -10.585) 13.755 8.867 ( 4.361 -5.407 -5.746) 9.015 9.238 ( -4.623 5.260 -1.605) 7.185 9.494 ( -1.604 -1.471 -1.164) 2.468 9.650 ( -2.836 -11.254 4.031) 12.286 9.860 ( -1.687 1.703 1.417) 2.785 10.135 ( -3.271 2.860 2.525) 5.026 10.468 ( 1.291 5.847 -1.892) 6.279 10.567 ( 4.143 0.411 0.803) 4.240 10.787 ( -3.420 -1.059 11.094) 11.658 11.073 ( -9.994 10.673 5.516) 15.627 11.699 ( 5.902 -1.409 -1.049) 6.158 12.104 ( 4.587 -0.852 -10.314) 11.321 12.339 ( -4.032 0.605 -3.522) 5.388 12.721 ( -4.013 -8.108 2.862) 9.489 13.102 ( 6.860 6.018 -2.752) 9.532 13.772 ( 2.072 -4.435 -5.570) 7.416 14.028 ( -4.020 6.479 3.884) 8.557 14.290 ( 2.141 -3.024 17.143) 17.539 16.755 ( -8.927 -12.623 -9.925) 18.372 ======================= Grid point 63 (36/156) ======================= q-point: ( 0.05 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 6.022 15.302 7.121) 17.920 2.493 ( 2.654 3.526 2.487) 5.066 3.104 ( -3.793 1.157 1.913) 4.403 3.660 ( -1.531 1.751 3.544) 4.239 4.120 ( -3.799 -0.231 2.692) 4.662 4.538 ( -10.644 -12.508 10.267) 19.370 4.704 ( 6.059 -2.231 -10.716) 12.511 5.017 ( 3.716 -2.893 -5.931) 7.573 5.358 ( 2.050 -5.317 -10.547) 11.988 5.806 ( 4.492 -3.351 -1.149) 5.721 5.864 ( -1.921 2.687 -1.320) 3.557 6.350 ( 2.593 -0.241 4.131) 4.883 6.497 ( -0.518 -4.416 -7.740) 8.926 6.629 ( 0.867 -1.462 6.063) 6.297 7.962 ( -8.161 -0.899 -2.124) 8.481 8.273 ( -1.735 -2.849 10.564) 11.078 8.576 ( 9.034 -1.644 -3.571) 9.852 8.765 ( -3.017 10.626 -9.900) 14.833 9.162 ( -7.815 3.131 0.589) 8.439 9.413 ( 3.942 2.768 7.534) 8.942 9.660 ( 4.284 -13.070 -0.540) 13.765 9.961 ( -1.098 -3.270 5.671) 6.638 10.127 ( 3.524 11.948 -1.722) 12.576 10.423 ( -2.456 5.571 2.316) 6.514 10.668 ( -2.882 7.748 -0.075) 8.267 10.887 ( 3.535 5.893 3.868) 7.886 11.061 ( 0.608 3.303 1.632) 3.734 11.553 ( -7.375 4.744 0.307) 8.775 11.729 ( 0.091 0.662 -4.763) 4.809 12.356 ( 4.204 -16.290 -7.506) 18.422 12.909 ( 2.725 -9.749 2.903) 10.531 13.326 ( 1.686 21.797 -2.450) 21.999 13.622 ( -3.263 -8.504 -3.771) 9.858 13.822 ( 1.811 3.877 -2.657) 5.037 14.788 ( 1.612 -1.511 11.713) 11.920 16.335 ( -2.875 -18.375 -3.414) 18.909 ======================= Grid point 64 (37/156) ======================= q-point: ( 0.05 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -13.019 10.808 -8.812) 19.077 2.215 ( -10.826 11.395 -9.907) 18.580 3.270 ( -7.074 -3.395 -11.579) 13.987 3.647 ( 1.062 5.786 13.656) 14.869 3.746 ( -9.819 3.789 13.539) 17.149 4.489 ( -2.478 -1.878 -1.135) 3.309 4.593 ( 5.253 -6.962 -6.995) 11.180 5.108 ( 3.013 -1.598 -13.968) 14.378 5.233 ( 3.022 -0.472 16.833) 17.109 5.718 ( -8.916 0.704 0.157) 8.945 5.824 ( -2.241 8.196 -7.742) 11.495 6.438 ( 6.764 -1.717 -4.802) 8.471 6.597 ( 5.289 -7.429 1.103) 9.186 6.835 ( -2.992 -6.589 0.526) 7.256 7.746 ( -1.271 7.443 7.607) 10.719 8.280 ( -4.556 -1.148 1.169) 4.842 8.428 ( -1.179 3.286 1.914) 3.982 8.830 ( 0.956 -4.327 2.929) 5.312 9.096 ( 5.086 5.388 1.521) 7.564 9.562 ( -2.990 -5.495 0.826) 6.310 9.659 ( -1.262 -2.272 0.483) 2.643 9.919 ( -3.892 0.314 -2.212) 4.487 10.337 ( 2.233 9.126 0.007) 9.396 10.391 ( -1.801 0.681 -1.666) 2.546 10.533 ( 2.419 -3.999 -1.032) 4.786 10.944 ( 7.789 9.851 -8.867) 15.374 11.205 ( -0.189 4.502 5.937) 7.453 11.586 ( 5.338 -3.238 0.043) 6.244 12.004 ( 6.610 -2.186 1.048) 7.040 12.272 ( -3.525 -12.821 1.453) 13.376 12.803 ( -5.085 2.057 2.194) 5.908 13.151 ( -4.097 -5.510 -0.353) 6.875 13.608 ( 4.280 4.243 -2.599) 6.563 14.025 ( 8.578 8.529 -8.366) 14.707 14.656 ( -5.542 -3.619 -10.555) 12.459 16.535 ( 4.646 -11.529 14.374) 19.003 ======================= Grid point 66 (38/156) ======================= q-point: ( 0.05 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 9.790 17.727 0.000) 20.251 2.005 ( 13.518 18.498 0.000) 22.911 2.800 ( 3.342 23.138 -0.000) 23.378 4.048 ( 5.990 -8.997 0.000) 10.809 4.147 ( 0.160 -4.638 0.000) 4.641 4.260 ( -2.300 6.183 -0.000) 6.597 4.580 ( -2.489 -4.226 -0.000) 4.904 4.853 ( -4.840 -3.848 -0.000) 6.184 5.486 ( 7.210 0.969 0.000) 7.274 5.753 ( -5.087 -8.927 -0.000) 10.275 5.830 ( 7.296 10.246 0.000) 12.578 6.375 ( -0.672 3.193 -0.000) 3.263 6.568 ( -5.236 -0.650 -0.000) 5.276 6.634 ( -10.891 -4.062 -0.000) 11.624 8.039 ( 9.107 5.928 0.000) 10.867 8.050 ( 3.696 2.105 0.000) 4.253 8.661 ( 1.620 -6.624 0.000) 6.819 8.841 ( -6.423 -0.484 -0.000) 6.441 9.145 ( 7.577 -11.864 0.000) 14.078 9.498 ( -6.741 7.534 -0.000) 10.110 9.746 ( -5.139 3.322 -0.000) 6.119 10.127 ( -9.100 4.091 -0.000) 9.977 10.183 ( 2.044 4.903 0.000) 5.312 10.332 ( 6.950 -8.446 0.000) 10.938 10.476 ( 4.641 -1.737 0.000) 4.956 10.795 ( -3.438 0.968 -0.000) 3.571 11.299 ( -4.398 3.220 -0.000) 5.450 11.377 ( 15.880 -0.092 0.000) 15.880 12.201 ( -4.787 -13.287 -0.000) 14.123 12.328 ( -8.529 3.634 -0.000) 9.271 12.951 ( 14.569 1.770 0.000) 14.676 12.987 ( -7.263 5.772 -0.000) 9.277 13.669 ( 13.536 -2.423 0.000) 13.751 13.701 ( -3.921 -11.061 -0.000) 11.736 14.448 ( -5.711 12.088 -0.000) 13.369 16.868 ( -14.456 -10.548 -0.000) 17.895 ======================= Grid point 67 (39/156) ======================= q-point: ( 0.05 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 6.785 7.497 1.177) 10.179 2.423 ( 6.423 13.439 7.382) 16.624 3.044 ( 0.922 0.999 5.659) 5.820 3.856 ( -7.241 4.630 -2.135) 8.856 4.089 ( 0.529 -2.317 0.282) 2.394 4.343 ( -3.892 -2.016 2.521) 5.057 4.769 ( -0.712 -3.707 0.160) 3.778 4.868 ( 9.725 -8.370 -5.147) 13.825 5.304 ( 0.228 -8.840 -6.341) 10.882 5.703 ( -0.835 -3.287 0.202) 3.397 5.980 ( 1.861 0.209 -2.039) 2.769 6.273 ( -0.186 -0.085 0.788) 0.814 6.443 ( 0.218 -3.631 -1.207) 3.833 6.606 ( -2.491 2.929 6.363) 7.434 8.096 ( 0.457 -2.175 0.790) 2.359 8.193 ( -12.158 1.754 2.649) 12.566 8.568 ( 9.310 1.984 -14.099) 17.012 9.007 ( 11.583 0.623 2.883) 11.953 9.170 ( -2.360 -2.139 -3.287) 4.577 9.409 ( -9.590 0.339 2.599) 9.942 9.489 ( 4.252 -0.595 -3.296) 5.413 9.816 ( -6.013 2.433 8.873) 10.991 10.289 ( 3.932 10.658 -1.205) 11.424 10.577 ( -2.351 5.938 0.478) 6.404 10.662 ( 3.195 0.042 1.596) 3.571 10.809 ( 3.895 3.651 7.928) 9.558 11.264 ( 3.324 15.224 1.865) 15.694 11.684 ( -6.315 -0.811 -4.104) 7.576 12.006 ( 6.486 -14.618 -9.361) 18.531 12.267 ( -15.629 6.510 -4.454) 17.507 12.460 ( 2.434 -13.701 7.548) 15.830 13.497 ( -3.276 -19.708 -3.809) 20.338 13.640 ( 19.933 17.872 -5.516) 27.334 14.058 ( -12.131 12.630 2.979) 17.764 14.361 ( 8.762 -2.069 13.885) 16.549 16.217 ( -13.094 -19.964 -6.187) 24.664 ======================= Grid point 68 (40/156) ======================= q-point: ( 0.05 -0.65 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -1.004 -0.658 -7.172) 7.271 2.587 ( 0.705 7.176 0.285) 7.216 3.222 ( 5.540 8.432 8.954) 13.489 3.624 ( -7.885 1.920 4.206) 9.140 3.863 ( -16.359 2.041 10.453) 19.521 4.359 ( 9.060 -3.280 3.422) 10.225 4.688 ( -1.909 -4.758 -9.353) 10.666 5.027 ( 1.463 -4.867 -5.556) 7.530 5.241 ( -0.270 -3.930 -9.115) 9.929 5.692 ( 1.930 -7.884 1.893) 8.335 6.001 ( 4.513 2.736 -5.760) 7.812 6.376 ( 2.777 -6.580 -1.754) 7.355 6.460 ( 0.924 2.555 -1.131) 2.943 6.654 ( 0.983 0.231 8.566) 8.625 7.771 ( -5.578 1.271 2.942) 6.433 8.154 ( -4.206 -3.288 8.800) 10.293 8.678 ( 1.632 0.956 -8.550) 8.756 8.851 ( -8.125 6.501 1.835) 10.566 9.111 ( 3.101 1.444 -4.006) 5.268 9.484 ( 6.348 -3.893 1.004) 7.514 9.592 ( -1.408 -2.856 -4.916) 5.857 9.977 ( 3.133 2.178 2.670) 4.657 10.453 ( 0.089 4.828 -1.071) 4.946 10.500 ( 2.610 10.060 1.702) 10.532 10.663 ( -6.563 2.364 -0.641) 7.005 11.013 ( 0.217 2.760 4.185) 5.018 11.256 ( 2.717 11.711 -4.039) 12.682 11.521 ( -7.128 5.659 6.904) 11.424 11.859 ( 8.113 -0.564 -1.638) 8.296 12.017 ( 0.149 -13.535 -3.574) 14.000 12.667 ( -2.662 -16.553 6.277) 17.902 13.317 ( -8.207 -1.377 1.077) 8.391 13.627 ( -1.294 4.673 -3.372) 5.906 14.212 ( 10.852 12.700 -7.445) 18.289 14.767 ( 2.204 -1.853 -1.987) 3.498 15.931 ( 3.368 -20.272 5.933) 21.389 ======================= Grid point 69 (41/156) ======================= q-point: ( 0.05 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -16.465 7.343 -12.185) 21.760 2.215 ( -10.962 11.681 -13.804) 21.146 3.194 ( 3.434 3.664 -12.921) 13.862 3.587 ( -8.133 2.006 14.176) 16.466 3.979 ( 4.107 10.452 14.004) 17.950 4.435 ( 0.055 2.982 6.995) 7.604 4.647 ( 6.334 -0.743 -13.233) 14.690 5.099 ( 3.964 -2.320 -5.552) 7.206 5.400 ( 6.951 -0.243 14.410) 16.000 5.597 ( -6.039 3.691 -1.596) 7.255 5.859 ( -5.783 4.399 -5.885) 9.350 6.466 ( -0.271 -9.944 -0.874) 9.986 6.552 ( 6.839 -2.572 1.887) 7.546 6.661 ( -1.541 -0.987 -4.816) 5.152 7.951 ( -4.058 10.450 2.143) 11.414 8.183 ( 0.841 1.175 11.326) 11.418 8.456 ( 4.220 -4.045 -3.853) 7.001 8.754 ( -3.512 0.617 6.748) 7.633 9.259 ( -3.718 3.873 -3.151) 6.225 9.376 ( 1.726 -4.609 7.407) 8.893 9.789 ( 11.358 -0.552 -5.808) 12.769 9.889 ( -2.636 3.587 -4.480) 6.315 10.212 ( -3.281 -6.972 -4.762) 9.058 10.445 ( -5.542 -0.039 2.333) 6.013 10.564 ( -1.832 6.538 -0.263) 6.795 10.969 ( 0.783 -7.322 -7.587) 10.573 11.240 ( -5.935 -9.554 -10.677) 15.508 11.670 ( 1.736 2.788 2.221) 3.965 11.892 ( 1.467 -1.183 11.160) 11.318 12.237 ( 0.097 -0.234 5.974) 5.979 12.766 ( 8.590 -0.899 -1.260) 8.728 13.027 ( -4.795 2.282 4.981) 7.281 13.731 ( 3.073 -0.315 -0.979) 3.240 14.108 ( -6.689 -5.015 -4.300) 9.401 14.641 ( 3.482 4.252 -19.430) 20.193 16.510 ( 10.712 -5.355 15.189) 19.342 ======================= Grid point 71 (42/156) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 3.086 8.659 0.000) 9.192 2.488 ( 4.428 11.564 0.000) 12.383 3.137 ( -2.117 13.219 -0.000) 13.388 3.950 ( 5.414 -11.989 0.000) 13.154 4.012 ( -7.654 -7.500 -0.000) 10.716 4.434 ( 7.195 5.813 0.000) 9.250 4.499 ( 0.730 2.867 0.000) 2.958 4.782 ( 2.272 -4.568 0.000) 5.102 5.311 ( -13.702 -10.385 -0.000) 17.193 5.556 ( 0.586 -0.610 0.000) 0.845 6.063 ( 1.755 6.847 0.000) 7.069 6.347 ( -3.855 -1.792 -0.000) 4.251 6.491 ( -1.021 1.299 -0.000) 1.652 6.513 ( -2.354 -0.340 -0.000) 2.379 7.968 ( 2.118 -10.894 0.000) 11.098 8.356 ( 2.997 6.292 0.000) 6.970 8.629 ( 0.184 -6.787 0.000) 6.789 8.803 ( 4.382 7.813 0.000) 8.958 9.125 ( 5.156 -1.119 0.000) 5.276 9.511 ( -5.306 5.252 -0.000) 7.466 9.639 ( -8.418 0.201 -0.000) 8.421 9.983 ( -10.624 2.079 -0.000) 10.826 10.461 ( 9.836 11.013 0.000) 14.767 10.486 ( 13.008 1.479 0.000) 13.092 10.587 ( 6.293 -0.058 0.000) 6.293 10.747 ( -3.684 3.534 -0.000) 5.105 11.356 ( 3.646 2.755 0.000) 4.570 11.696 ( 17.184 -2.017 0.000) 17.302 11.844 ( -6.274 -10.598 -0.000) 12.315 12.007 ( -11.947 -10.598 -0.000) 15.970 12.933 ( -13.300 10.357 -0.000) 16.857 13.127 ( -0.458 -20.172 0.000) 20.177 13.654 ( 11.892 14.195 0.000) 18.518 13.865 ( 14.549 -6.085 0.000) 15.770 14.584 ( -8.197 16.879 -0.000) 18.764 16.263 ( -20.592 -16.281 -0.000) 26.251 ======================= Grid point 72 (43/156) ======================= q-point: ( 0.05 0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 5.706 2.205 0.003) 6.117 2.598 ( 0.358 -3.022 -0.351) 3.063 3.221 ( 2.849 14.607 6.259) 16.145 3.679 ( -7.364 -5.941 4.236) 10.366 4.073 ( -14.402 1.626 3.993) 15.033 4.157 ( 5.584 0.374 1.666) 5.839 4.734 ( 1.100 -1.897 -4.937) 5.402 4.836 ( 4.719 -8.751 -2.400) 10.228 5.363 ( 10.281 -1.655 -5.937) 11.987 5.484 ( -6.781 -7.571 1.047) 10.217 6.073 ( 4.302 2.747 -4.268) 6.653 6.206 ( -1.763 -4.195 -1.333) 4.741 6.497 ( 2.786 3.498 2.885) 5.322 6.576 ( -2.994 -0.087 5.743) 6.477 7.948 ( -11.784 1.194 -0.405) 11.851 8.046 ( 1.420 -2.266 1.706) 3.172 8.803 ( 5.580 3.940 -10.050) 12.151 9.015 ( 0.249 -6.426 -3.845) 7.492 9.201 ( -4.138 3.017 -6.086) 7.954 9.308 ( 4.320 -2.307 -0.477) 4.921 9.665 ( 0.483 5.168 6.912) 8.644 9.754 ( 3.240 -0.653 9.370) 9.936 10.583 ( 1.024 4.518 -3.302) 5.689 10.658 ( 1.369 -0.024 -5.647) 5.811 10.672 ( -0.892 12.564 1.603) 12.698 11.098 ( 6.178 11.133 11.775) 17.342 11.421 ( -6.521 -8.007 -7.257) 12.622 11.728 ( 8.684 2.100 0.874) 8.977 11.770 ( -2.323 -2.463 3.979) 5.225 12.082 ( -14.208 8.774 -5.182) 17.485 12.259 ( -3.634 -8.168 5.295) 10.390 13.052 ( 6.041 -23.528 -4.368) 24.681 14.046 ( -11.639 11.386 2.606) 16.490 14.319 ( 7.646 4.556 -1.600) 9.043 14.598 ( 17.806 14.210 3.899) 23.112 15.519 ( -11.335 -25.493 -3.042) 28.064 ======================= Grid point 73 (44/156) ======================= q-point: ( 0.05 -0.65 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -4.247 0.555 -4.979) 6.568 2.726 ( 0.892 0.964 -6.331) 6.466 3.292 ( -4.700 -0.304 -7.605) 8.946 3.589 ( -4.803 6.257 9.778) 12.563 3.884 ( -1.453 15.760 19.722) 25.287 4.494 ( -0.102 -5.212 -6.424) 8.273 4.561 ( 11.264 -3.569 -1.132) 11.869 4.968 ( 2.978 -1.180 -5.702) 6.541 5.192 ( -0.381 -4.863 4.356) 6.540 5.645 ( 5.010 -2.061 -1.844) 5.723 6.025 ( -1.658 -3.254 -5.162) 6.324 6.353 ( 4.973 -3.902 1.288) 6.451 6.452 ( -3.655 0.269 -2.393) 4.377 6.670 ( 0.324 1.215 2.583) 2.873 7.819 ( 1.780 1.153 13.202) 13.371 8.141 ( 2.844 8.921 -1.094) 9.427 8.658 ( -1.865 -2.900 -11.197) 11.716 8.747 ( -8.705 1.851 7.983) 11.956 9.283 ( 0.912 6.548 3.304) 7.391 9.471 ( 3.671 -7.708 -9.645) 12.881 9.565 ( 6.039 -1.953 -4.903) 8.020 10.062 ( 0.606 2.154 -2.501) 3.356 10.344 ( -10.521 -3.301 -3.854) 11.681 10.521 ( -7.521 3.278 3.931) 9.097 10.779 ( 2.978 4.431 -5.618) 7.750 11.010 ( -9.005 4.626 0.442) 10.134 11.338 ( -1.774 -13.846 5.864) 15.141 11.519 ( -1.266 6.644 0.362) 6.773 11.705 ( -0.143 -0.423 2.391) 2.432 12.091 ( 0.346 -6.076 2.746) 6.677 12.543 ( 13.962 5.055 3.742) 15.313 13.233 ( -6.810 6.771 7.847) 12.402 13.645 ( 0.712 -1.820 -5.547) 5.881 14.184 ( -10.022 -10.008 -1.613) 14.255 14.954 ( 6.102 1.838 -14.757) 16.075 15.866 ( 18.647 -4.726 10.191) 21.770 ======================= Grid point 75 (45/156) ======================= q-point: ( 0.05 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 21.814 14.719 -0.624) 26.322 2.213 ( 2.666 13.748 -3.622) 14.465 3.334 ( -0.862 6.658 -2.521) 7.171 3.619 ( 4.045 -4.475 3.598) 7.024 4.054 ( -2.237 -2.573 -4.293) 5.482 4.510 ( -7.320 3.046 0.293) 7.934 4.760 ( -2.971 -6.411 -6.708) 9.743 4.830 ( -10.949 6.838 1.645) 13.013 5.506 ( 3.039 5.095 -3.618) 6.949 5.591 ( 1.971 -1.540 9.336) 9.666 5.898 ( 3.190 8.045 0.167) 8.656 6.352 ( -1.520 0.660 2.466) 2.971 6.706 ( -3.888 -3.300 2.254) 5.576 6.830 ( -5.884 -1.762 -5.992) 8.581 7.835 ( -0.380 -1.827 4.179) 4.577 8.140 ( 4.230 0.721 -9.190) 10.142 8.576 ( 1.347 5.637 8.613) 10.382 8.827 ( -0.331 -7.194 -0.962) 7.266 8.975 ( 0.784 1.170 -2.043) 2.482 9.745 ( 2.104 -2.072 6.383) 7.033 9.810 ( -3.068 4.071 -3.106) 5.969 9.916 ( 8.369 -10.691 -2.810) 13.865 10.170 ( -5.494 6.128 7.063) 10.846 10.332 ( 3.286 -4.987 -0.967) 6.050 10.453 ( 0.126 6.127 -2.952) 6.802 10.695 ( 5.019 2.688 1.742) 5.954 11.236 ( 7.446 -2.934 -1.225) 8.097 11.452 ( -5.956 -2.013 -5.520) 8.366 11.879 ( 3.690 -11.230 8.520) 14.571 12.534 ( -12.049 -7.432 -1.716) 14.261 12.778 ( 12.122 7.856 -1.994) 14.582 13.124 ( -5.822 -0.605 -2.846) 6.509 13.570 ( 0.993 4.180 0.673) 4.349 13.711 ( -2.030 -1.839 -4.557) 5.317 14.737 ( 2.169 9.653 -3.728) 10.572 16.849 ( -10.089 -8.607 7.338) 15.157 ======================= Grid point 76 (46/156) ======================= q-point: ( 0.05 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 1.074 6.269 -0.000) 6.360 2.595 ( -4.663 1.355 -0.000) 4.856 3.352 ( 2.872 9.596 0.000) 10.017 3.595 ( -9.024 -15.576 -0.000) 18.001 3.870 ( 10.085 -9.057 0.000) 13.555 4.385 ( -16.306 0.699 -0.000) 16.321 4.691 ( 5.751 5.852 0.000) 8.205 4.786 ( 3.055 -1.914 0.000) 3.605 5.195 ( 7.901 3.787 0.000) 8.762 5.533 ( -6.065 3.511 -0.000) 7.008 6.178 ( 0.041 3.266 -0.000) 3.266 6.233 ( -3.185 -2.761 -0.000) 4.215 6.472 ( 0.448 -0.845 0.000) 0.956 6.504 ( -1.072 0.936 -0.000) 1.423 7.850 ( 6.446 -7.815 0.000) 10.130 8.173 ( -10.247 -3.502 -0.000) 10.829 8.825 ( 14.692 0.315 0.000) 14.695 8.968 ( 1.492 1.709 0.000) 2.269 9.264 ( -0.010 5.929 -0.000) 5.929 9.477 ( -9.336 1.988 -0.000) 9.545 9.489 ( 0.374 -1.023 0.000) 1.089 9.817 ( -10.605 1.871 -0.000) 10.769 10.632 ( 5.273 -4.883 0.000) 7.187 10.635 ( 2.827 -1.686 0.000) 3.291 10.922 ( 7.162 9.751 0.000) 12.099 11.000 ( 7.169 15.333 0.000) 16.926 11.364 ( 1.881 -6.589 0.000) 6.852 11.505 ( -5.300 -19.793 -0.000) 20.490 11.793 ( 5.672 9.713 0.000) 11.248 11.934 ( 5.560 1.088 0.000) 5.666 12.541 ( -6.424 -26.672 -0.000) 27.434 12.919 ( -14.918 17.603 -0.000) 23.074 13.985 ( 13.410 -9.602 0.000) 16.494 14.181 ( 9.869 8.897 0.000) 13.287 14.881 ( 0.292 25.359 -0.000) 25.361 15.462 ( -24.048 -20.695 -0.000) 31.727 ======================= Grid point 77 (47/156) ======================= q-point: ( 0.05 0.15 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -1.909 -4.929 -2.043) 5.667 2.603 ( 5.148 -1.302 0.711) 5.357 3.430 ( -2.014 -8.549 5.612) 10.423 3.604 ( 5.428 12.615 0.849) 13.760 3.951 ( -7.779 9.497 9.657) 15.619 4.346 ( 10.441 -0.589 -3.403) 10.998 4.670 ( -4.241 -0.488 -6.081) 7.429 4.760 ( 2.180 -4.864 0.445) 5.348 5.192 ( -8.176 -4.249 -0.150) 9.215 5.530 ( 6.403 0.693 -0.111) 6.441 6.090 ( -0.910 -4.013 -6.934) 8.063 6.214 ( 4.434 1.582 -1.535) 4.952 6.491 ( -3.310 -2.077 3.009) 4.932 6.613 ( 2.884 2.513 7.260) 8.206 7.847 ( -6.391 6.877 0.007) 9.388 8.169 ( 10.009 3.524 -0.683) 10.633 8.755 ( -8.258 -4.356 -5.957) 11.075 8.930 ( -4.126 0.774 -3.038) 5.182 9.233 ( 6.517 -5.136 -6.820) 10.741 9.368 ( 1.392 2.345 -1.074) 2.930 9.583 ( -2.366 -2.258 4.372) 5.460 9.933 ( 9.367 -1.214 9.294) 13.251 10.532 ( -6.657 -1.054 -7.448) 10.045 10.648 ( -2.768 2.395 0.393) 3.682 10.925 ( -2.980 -7.654 -6.604) 10.539 11.005 ( -1.428 -1.239 6.295) 6.573 11.387 ( -8.560 -2.418 4.036) 9.768 11.598 ( -0.175 13.893 6.047) 15.154 11.760 ( -2.662 -2.921 -2.242) 4.544 11.951 ( -6.557 -3.784 1.228) 7.670 12.512 ( 8.311 21.181 -2.626) 22.904 12.916 ( 17.172 -13.808 -0.424) 22.039 14.011 ( -14.735 11.230 2.952) 18.760 14.195 ( -10.959 -10.074 0.929) 14.914 14.867 ( 0.724 -21.719 -1.468) 21.781 15.441 ( 24.109 17.615 -1.859) 29.916 ======================= Grid point 78 (48/156) ======================= q-point: ( 0.05 0.35 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -5.910 2.041 -2.391) 6.694 2.546 ( -10.709 -7.446 -3.687) 13.555 3.212 ( -5.085 0.772 -9.204) 10.544 3.657 ( 1.488 5.543 4.794) 7.478 4.098 ( -0.562 3.407 8.028) 8.739 4.466 ( 3.189 -0.851 2.775) 4.312 4.699 ( 14.649 -9.176 -1.797) 17.379 5.033 ( -2.593 -2.183 14.011) 14.415 5.150 ( 7.640 3.533 -8.940) 12.279 5.734 ( -0.942 2.228 4.012) 4.685 5.949 ( 1.903 -2.688 -6.652) 7.423 6.370 ( 2.453 -1.775 4.956) 5.808 6.429 ( 1.640 2.484 -3.516) 4.607 6.728 ( 1.513 3.393 -3.897) 5.384 7.842 ( 1.574 -0.943 8.696) 8.888 8.446 ( 1.053 1.353 -2.124) 2.729 8.571 ( 1.620 6.137 -2.666) 6.885 8.601 ( -6.972 -1.960 2.577) 7.687 9.160 ( -5.904 -6.948 1.633) 9.263 9.562 ( 1.099 3.465 -8.268) 9.031 9.682 ( 12.899 -2.219 -3.141) 13.460 10.060 ( -3.993 -3.038 -4.030) 6.435 10.100 ( -8.128 3.426 -0.222) 8.824 10.420 ( -6.971 1.642 2.832) 7.701 10.684 ( -6.522 -7.478 -1.040) 9.977 10.894 ( -10.024 0.075 2.285) 10.281 11.161 ( 5.380 -0.736 -8.400) 10.002 11.506 ( -6.922 -4.046 7.716) 11.127 11.684 ( -0.932 6.976 -2.359) 7.422 12.243 ( 14.478 2.587 4.577) 15.403 12.920 ( 7.736 5.171 1.656) 9.451 13.221 ( -15.505 8.621 8.203) 19.545 13.595 ( 4.190 -5.622 -1.729) 7.221 13.818 ( -3.260 -7.580 -0.737) 8.284 14.939 ( 0.708 -6.249 -4.245) 7.587 16.308 ( 18.971 5.671 -0.759) 19.815 ======================= Grid point 80 (49/156) ======================= q-point: ( 0.05 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 2.453 3.382 2.680) 4.964 2.600 ( 12.729 12.443 1.434) 17.859 3.382 ( 1.807 -0.796 2.160) 2.926 3.530 ( 1.344 -9.730 -0.959) 9.869 3.930 ( -1.985 -11.537 -6.740) 13.508 4.466 ( -0.126 2.667 -2.077) 3.383 4.660 ( -5.140 5.500 -8.617) 11.443 4.805 ( -1.525 4.846 -1.250) 5.232 5.373 ( -12.894 -5.277 9.189) 16.690 5.689 ( -0.535 6.837 -0.779) 6.902 6.066 ( 2.225 3.250 5.061) 6.413 6.336 ( -2.571 1.409 2.153) 3.637 6.479 ( -5.512 -2.084 2.058) 6.242 6.723 ( -2.827 -2.802 -5.549) 6.828 7.725 ( -0.448 -6.012 -2.289) 6.448 8.317 ( 11.197 -2.660 -8.956) 14.583 8.577 ( -8.116 -6.866 0.317) 10.636 8.768 ( 3.621 5.097 10.784) 12.465 9.100 ( 5.764 3.503 -4.218) 7.955 9.694 ( -3.466 -2.214 4.457) 6.065 9.760 ( -9.702 6.947 4.358) 12.704 10.061 ( 15.323 -2.974 -1.074) 15.646 10.191 ( -0.912 3.288 6.456) 7.303 10.365 ( 6.966 -1.998 -1.920) 7.497 10.672 ( 3.422 11.781 -1.756) 12.393 10.848 ( 6.309 1.031 -2.955) 7.042 11.271 ( -3.658 -3.953 -1.747) 5.662 11.384 ( 6.765 0.628 0.817) 6.843 11.758 ( 1.325 -6.417 4.015) 7.684 12.181 ( -12.781 -2.143 -2.158) 13.137 12.862 ( -4.466 -9.898 -3.765) 11.493 13.070 ( 7.807 -7.412 -6.522) 12.586 13.667 ( 0.290 8.784 5.079) 10.151 13.815 ( 3.224 10.156 -1.416) 10.749 14.968 ( 0.177 11.984 -0.243) 11.987 16.348 ( -19.778 -12.369 2.625) 23.475 ======================= Grid point 81 (50/156) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -5.501 -2.672 -0.000) 6.115 2.604 ( -2.083 2.048 -0.000) 2.921 3.155 ( -3.586 -14.607 -0.000) 15.041 3.628 ( 9.348 5.841 0.000) 11.023 4.040 ( 16.521 -0.746 0.000) 16.537 4.144 ( -7.702 0.172 -0.000) 7.704 4.787 ( -5.434 4.264 -0.000) 6.907 4.847 ( 0.658 4.257 -0.000) 4.307 5.436 ( -12.037 5.225 -0.000) 13.123 5.470 ( 5.409 8.159 0.000) 9.789 6.108 ( -2.261 -4.743 -0.000) 5.255 6.235 ( 1.696 1.942 0.000) 2.578 6.484 ( -0.573 -1.060 -0.000) 1.204 6.489 ( 0.335 1.227 0.000) 1.271 7.950 ( 12.567 -1.729 0.000) 12.686 8.029 ( -1.520 0.975 -0.000) 1.805 8.927 ( -2.558 -3.513 -0.000) 4.346 9.064 ( 1.061 3.059 0.000) 3.237 9.236 ( 1.189 -2.554 0.000) 2.818 9.352 ( -10.030 2.856 -0.000) 10.429 9.572 ( 9.368 -2.310 0.000) 9.648 9.646 ( -9.439 1.312 -0.000) 9.529 10.609 ( 3.332 -5.292 0.000) 6.254 10.630 ( 1.070 -6.380 0.000) 6.469 10.856 ( -8.054 -14.363 -0.000) 16.467 10.868 ( -5.513 -6.800 -0.000) 8.754 11.539 ( 8.703 5.308 0.000) 10.194 11.657 ( 7.684 20.465 0.000) 21.860 11.746 ( -13.691 -12.890 -0.000) 18.805 12.165 ( 2.506 14.068 -0.000) 14.290 12.178 ( 16.157 -16.091 0.000) 22.803 13.097 ( -6.709 23.968 -0.000) 24.889 14.020 ( 11.282 -11.088 0.000) 15.819 14.324 ( -4.425 3.314 -0.000) 5.528 14.567 ( -23.321 -22.949 -0.000) 32.719 15.549 ( 13.143 25.696 0.000) 28.862 ======================= Grid point 82 (51/156) ======================= q-point: ( 0.05 0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -2.749 -7.466 0.381) 7.965 2.520 ( -4.721 -9.799 2.827) 11.239 3.241 ( 2.690 -12.201 8.336) 15.019 3.847 ( -4.504 11.138 -8.261) 14.581 4.047 ( 0.503 1.382 3.086) 3.419 4.361 ( -0.625 -3.039 -1.058) 3.279 4.645 ( -2.942 2.187 -11.557) 12.125 4.727 ( 0.272 -0.044 14.772) 14.774 5.233 ( 10.667 7.117 -6.810) 14.519 5.655 ( 1.382 4.132 7.674) 8.825 5.993 ( -1.024 -5.296 -7.161) 8.965 6.289 ( 1.181 -0.141 -1.379) 1.821 6.430 ( 2.044 0.525 -0.266) 2.127 6.705 ( 3.322 0.154 8.758) 9.368 7.917 ( -4.109 8.703 -4.448) 10.603 8.406 ( -0.454 -5.443 4.769) 7.252 8.549 ( 4.180 0.966 -8.498) 9.520 8.801 ( -8.401 -0.819 1.031) 8.504 9.127 ( -3.710 -1.691 -0.646) 4.128 9.477 ( 5.750 -1.047 -1.521) 6.039 9.606 ( 7.338 -1.477 -3.367) 8.207 10.041 ( 6.034 -3.750 3.368) 7.862 10.334 ( -6.430 -2.371 -3.781) 7.827 10.589 ( -6.295 -2.261 0.434) 6.703 10.604 ( -13.157 -5.444 3.710) 14.714 10.826 ( 1.618 -3.770 7.503) 8.551 11.370 ( -2.972 0.683 0.588) 3.105 11.612 ( -12.586 4.835 -5.820) 14.685 11.821 ( 7.338 2.033 -2.221) 7.932 12.045 ( 5.033 12.338 1.887) 13.458 12.853 ( 12.326 -4.776 -5.350) 14.260 13.215 ( 5.551 11.379 5.866) 13.954 13.639 ( -12.711 -13.489 -1.357) 18.583 13.911 ( -14.916 8.462 5.016) 17.868 14.620 ( 7.920 -15.424 3.615) 17.712 16.207 ( 20.203 15.033 -5.702) 25.819 ======================= Grid point 84 (52/156) ======================= q-point: ( 0.05 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 13.097 -3.828 12.518) 18.517 2.468 ( 3.766 -1.721 7.413) 8.491 3.132 ( 7.005 2.552 -0.499) 7.472 3.605 ( -7.047 -7.202 -6.428) 11.952 3.946 ( -0.396 -11.554 -14.037) 18.185 4.528 ( -5.201 -0.873 5.633) 7.716 4.984 ( 8.600 2.431 -17.112) 19.305 5.158 ( -11.983 1.137 2.460) 12.285 5.191 ( -6.152 -1.756 8.430) 10.583 5.679 ( 3.090 0.206 9.617) 10.103 5.968 ( 0.957 -2.658 2.310) 3.649 6.425 ( -0.708 2.299 0.680) 2.499 6.519 ( -7.948 1.298 -1.137) 8.133 6.703 ( 0.909 -1.121 2.133) 2.575 7.860 ( -0.146 -1.857 -7.713) 7.935 8.214 ( 1.912 -11.709 -11.147) 16.279 8.533 ( 4.267 2.968 5.880) 7.848 8.642 ( -3.747 -0.378 1.960) 4.245 9.169 ( -0.824 2.353 -7.569) 7.969 9.371 ( 8.597 -4.536 8.886) 13.169 9.888 ( 3.252 3.863 -0.180) 5.052 10.030 ( -6.928 3.924 0.266) 7.966 10.197 ( -0.800 2.282 3.549) 4.295 10.265 ( 3.244 -1.692 -0.835) 3.753 10.600 ( 6.164 -0.629 5.041) 7.988 10.863 ( 4.409 5.464 1.757) 7.237 11.236 ( 1.200 5.832 8.224) 10.153 11.474 ( 5.301 6.672 -11.628) 14.416 11.650 ( -3.745 0.698 0.749) 3.883 12.377 ( -8.365 -4.279 -2.247) 9.661 12.836 ( 4.145 -2.775 -5.300) 7.278 13.080 ( -12.921 -3.105 -0.978) 13.325 13.714 ( 3.699 3.925 2.616) 5.995 13.916 ( 4.052 7.607 2.235) 8.904 14.987 ( 2.907 1.453 8.438) 9.042 16.505 ( -10.727 -5.255 -6.605) 13.650 ======================= Grid point 85 (53/156) ======================= q-point: ( 0.05 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 3.563 3.311 5.822) 7.586 2.804 ( -7.801 2.696 2.078) 8.512 3.412 ( 6.267 -8.627 -7.714) 13.160 3.430 ( 0.952 -2.193 4.022) 4.679 3.547 ( 3.585 -16.994 -12.374) 21.325 4.543 ( -9.455 -3.985 -1.491) 10.368 4.636 ( 3.402 8.175 7.547) 11.634 4.962 ( -1.816 7.423 -7.732) 10.871 5.185 ( 3.537 5.325 4.159) 7.626 5.739 ( -8.279 6.631 7.231) 12.838 6.129 ( 1.737 0.621 5.051) 5.377 6.319 ( -4.356 3.515 -2.806) 6.261 6.461 ( 2.256 0.914 -0.631) 2.514 6.603 ( -3.304 -3.352 -4.073) 6.224 7.646 ( 2.543 -3.121 -5.052) 6.460 8.159 ( -2.812 -11.474 0.688) 11.834 8.595 ( 9.229 0.705 -5.749) 10.896 8.874 ( 1.786 -0.590 8.304) 8.515 9.232 ( 5.681 -2.208 -0.412) 6.109 9.615 ( -1.959 0.479 2.132) 2.934 9.670 ( -14.489 7.382 7.288) 17.820 10.069 ( -4.396 -1.096 -1.332) 4.723 10.398 ( 7.832 -1.588 2.289) 8.313 10.509 ( 8.830 2.120 2.850) 9.518 10.885 ( -0.392 -0.533 4.336) 4.386 10.933 ( 9.549 -8.591 -6.693) 14.484 11.225 ( -1.845 5.286 -3.251) 6.474 11.417 ( 1.487 -4.653 -8.510) 9.812 11.791 ( 5.062 8.422 7.602) 12.424 12.064 ( -2.632 3.124 -0.523) 4.118 12.443 ( -13.827 -6.837 -5.893) 16.512 13.110 ( 10.828 -5.844 -4.815) 13.213 13.764 ( -3.477 4.511 6.228) 8.440 14.182 ( 8.808 8.861 -1.487) 12.582 15.193 ( -2.756 7.985 10.240) 13.275 15.695 ( -21.213 -5.138 -7.649) 23.127 ======================= Grid point 86 (54/156) ======================= q-point: ( 0.05 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -6.691 -5.049 -0.000) 8.382 2.329 ( -7.144 -19.575 -0.000) 20.838 2.984 ( -3.575 0.546 -0.000) 3.617 3.876 ( 10.551 -1.506 0.000) 10.658 4.072 ( 0.359 -1.276 0.000) 1.325 4.357 ( 11.242 2.135 0.000) 11.443 4.699 ( -14.458 5.996 -0.000) 15.652 4.948 ( -1.120 5.941 -0.000) 6.046 5.404 ( -0.114 9.876 -0.000) 9.876 5.680 ( -2.517 7.021 -0.000) 7.458 5.991 ( -1.620 -1.303 -0.000) 2.079 6.320 ( 1.781 1.835 0.000) 2.557 6.432 ( 1.265 -5.534 0.000) 5.677 6.520 ( -1.762 4.023 -0.000) 4.392 8.088 ( 2.160 1.322 0.000) 2.532 8.158 ( 10.278 -3.920 0.000) 11.001 8.765 ( -7.616 -2.567 -0.000) 8.038 8.923 ( -11.337 3.329 -0.000) 11.816 9.223 ( -3.012 1.541 -0.000) 3.383 9.383 ( 13.519 -4.965 0.000) 14.402 9.537 ( -6.735 4.215 -0.000) 7.945 9.704 ( 9.604 -3.171 0.000) 10.114 10.304 ( -2.561 -13.840 0.000) 14.075 10.576 ( 2.782 -4.171 0.000) 5.014 10.669 ( -6.396 -0.476 -0.000) 6.413 10.695 ( -2.809 -2.026 -0.000) 3.463 11.250 ( -4.729 -15.092 -0.000) 15.816 11.723 ( 5.684 -1.319 0.000) 5.835 12.130 ( -3.231 17.496 -0.000) 17.792 12.329 ( 23.508 -5.669 0.000) 24.182 12.332 ( -10.113 11.652 -0.000) 15.429 13.531 ( 2.748 16.739 -0.000) 16.963 13.716 ( -23.732 -10.142 -0.000) 25.809 14.031 ( 14.291 -14.423 0.000) 20.304 14.204 ( -9.486 -0.938 -0.000) 9.532 16.277 ( 14.094 20.454 0.000) 24.840 ======================= Grid point 87 (55/156) ======================= q-point: ( 0.05 0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -10.184 -16.416 3.410) 19.617 2.063 ( -13.144 -16.417 5.923) 21.849 2.972 ( -1.131 -20.283 15.964) 25.836 3.902 ( -7.743 9.435 -11.893) 17.041 3.987 ( 1.078 -4.948 -12.551) 13.534 4.394 ( 3.097 2.506 10.183) 10.935 4.623 ( 0.857 -2.038 -7.012) 7.352 4.848 ( 4.814 6.770 10.202) 13.156 5.525 ( 0.134 4.754 -6.541) 8.088 5.672 ( -2.745 -0.168 0.282) 2.765 5.781 ( -6.553 -10.320 -3.583) 12.738 6.352 ( 1.976 4.089 2.673) 5.269 6.621 ( 10.305 4.273 -1.214) 11.222 6.740 ( 5.071 -2.677 10.104) 11.618 7.899 ( -7.554 -2.086 -8.234) 11.367 8.177 ( -4.731 -4.921 7.151) 9.887 8.575 ( -1.355 3.829 -8.198) 9.149 8.849 ( 6.702 1.228 0.323) 6.821 9.129 ( -6.555 9.580 -1.575) 11.714 9.542 ( 8.020 -5.172 3.439) 10.144 9.697 ( 3.339 -2.451 -3.928) 5.708 9.983 ( 0.812 -6.144 -7.852) 10.004 10.300 ( 3.793 -5.590 6.089) 9.094 10.332 ( -7.719 6.624 0.437) 10.181 10.519 ( -2.139 4.962 2.563) 5.980 10.814 ( -2.279 0.899 3.410) 4.199 11.317 ( -9.789 -1.266 -4.499) 10.847 11.439 ( 3.425 0.999 10.779) 11.354 12.112 ( 3.835 9.787 -7.650) 13.000 12.317 ( 7.849 -1.446 -1.925) 8.210 12.856 ( -3.851 -4.989 -4.020) 7.475 13.098 ( 0.608 -3.788 5.266) 6.516 13.602 ( -4.936 4.297 -1.990) 6.840 13.846 ( -5.657 9.812 9.832) 14.998 14.501 ( 5.185 -10.879 5.618) 13.296 16.771 ( 13.382 8.802 -9.761) 18.757 ======================= Grid point 89 (56/156) ======================= q-point: ( 0.05 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 10.432 -3.714 12.275) 16.531 2.511 ( 9.246 -9.541 16.800) 21.418 3.311 ( 9.331 -5.907 -14.779) 18.450 3.378 ( -5.567 5.136 6.637) 10.071 3.624 ( -4.781 -14.949 -20.642) 25.931 4.474 ( 2.868 0.057 7.485) 8.016 4.856 ( -13.654 -2.489 2.819) 14.162 5.074 ( -4.261 2.390 -0.752) 4.943 5.210 ( 5.507 1.142 -6.438) 8.548 5.707 ( 2.720 -2.125 9.740) 10.333 5.959 ( 5.197 -2.823 4.549) 7.461 6.477 ( 0.003 6.429 0.411) 6.442 6.516 ( -2.105 5.230 -1.684) 5.884 6.701 ( -3.197 0.998 -0.570) 3.397 7.891 ( -8.203 -3.524 -14.874) 17.347 7.911 ( 6.729 -6.768 -3.402) 10.132 8.573 ( 0.901 -3.303 0.251) 3.433 8.671 ( 3.674 1.577 3.037) 5.021 9.163 ( 1.210 -4.184 -7.193) 8.409 9.446 ( 4.818 1.713 8.864) 10.233 9.835 ( -5.710 -5.126 1.877) 7.899 10.032 ( -2.341 0.894 7.245) 7.666 10.255 ( 4.127 1.648 -2.113) 4.921 10.390 ( 4.037 4.094 -0.257) 5.755 10.615 ( 2.324 -6.106 4.589) 7.984 11.060 ( 1.052 7.407 1.811) 7.697 11.380 ( -2.113 0.093 2.241) 3.081 11.553 ( -3.486 0.573 -10.768) 11.333 11.802 ( 4.225 14.420 3.791) 15.497 12.149 ( -3.909 -3.178 -3.090) 5.910 12.759 ( -8.190 2.831 -1.967) 8.886 12.928 ( 2.338 0.236 -5.106) 5.621 13.793 ( -1.567 1.068 5.038) 5.383 14.173 ( 5.791 4.582 2.269) 7.725 14.997 ( -2.109 -2.698 18.027) 18.349 16.215 ( -10.004 1.134 -15.601) 18.568 ======================= Grid point 90 (57/156) ======================= q-point: ( 0.05 0.75 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -7.636 -7.416 0.124) 10.645 2.607 ( -2.581 -0.783 2.875) 3.942 3.054 ( -2.563 -8.140 -6.568) 10.769 3.538 ( 8.319 -2.691 -5.036) 10.090 3.740 ( 18.489 1.957 -2.672) 18.783 4.255 ( -7.257 -3.764 -6.036) 10.162 4.838 ( -0.796 7.138 8.277) 10.959 5.108 ( -1.211 10.254 -1.401) 10.420 5.439 ( 4.423 4.784 12.366) 13.977 5.697 ( -5.965 7.800 1.632) 9.954 6.093 ( -3.306 -3.893 3.632) 6.267 6.327 ( -3.827 4.927 -6.332) 8.890 6.475 ( -1.482 -1.560 -0.935) 2.346 6.545 ( 1.216 2.171 -1.020) 2.689 7.727 ( 8.715 0.150 -1.656) 8.872 8.029 ( 2.639 -1.582 -4.430) 5.394 8.777 ( 6.577 -2.843 -0.079) 7.166 8.830 ( 5.951 -6.091 1.775) 8.698 9.239 ( -0.672 -2.264 9.056) 9.359 9.484 ( -8.779 -0.268 1.113) 8.854 9.647 ( -3.653 5.520 -0.922) 6.683 9.927 ( -8.870 0.448 -2.469) 9.218 10.422 ( 3.721 -6.114 0.147) 7.159 10.526 ( -8.147 -13.584 0.336) 15.843 10.667 ( 2.591 -1.304 0.051) 2.901 10.914 ( -0.899 -4.406 -4.260) 6.194 11.362 ( 6.227 -13.700 -0.427) 15.055 11.396 ( 9.029 2.603 0.392) 9.404 11.800 ( -8.580 -5.528 -5.051) 11.388 12.177 ( 0.843 19.432 10.396) 22.054 12.531 ( 1.029 17.998 -8.097) 19.762 13.276 ( 15.595 -3.514 -2.367) 16.160 13.720 ( -5.443 -0.359 5.331) 7.628 14.303 ( -2.495 -7.046 2.142) 7.775 14.781 ( -19.885 -6.252 -0.011) 20.845 15.858 ( 5.209 21.900 -1.989) 22.598 ======================= Grid point 91 (58/156) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -7.927 -27.683 -0.000) 28.796 1.928 ( -15.663 -10.585 -0.000) 18.904 2.819 ( -18.225 0.377 -0.000) 18.229 4.005 ( 10.458 -3.526 0.000) 11.036 4.086 ( 3.658 -1.460 0.000) 3.939 4.491 ( -17.259 5.919 -0.000) 18.246 4.633 ( 8.364 7.548 0.000) 11.266 4.937 ( -6.157 3.122 -0.000) 6.903 5.579 ( -7.258 -3.561 -0.000) 8.084 5.781 ( 11.437 7.416 0.000) 13.631 5.830 ( -10.885 -10.772 -0.000) 15.315 6.327 ( -0.892 -0.717 -0.000) 1.144 6.452 ( 7.589 3.167 0.000) 8.223 6.618 ( 0.112 7.518 -0.000) 7.519 8.039 ( -4.318 -5.017 -0.000) 6.620 8.080 ( -5.304 -6.484 -0.000) 8.377 8.687 ( 4.135 -1.488 0.000) 4.395 8.957 ( -2.638 15.334 -0.000) 15.559 9.245 ( 3.216 -4.955 0.000) 5.907 9.478 ( 10.438 -9.012 0.000) 13.790 9.641 ( -5.279 19.499 -0.000) 20.201 9.833 ( 10.961 -3.470 0.000) 11.497 10.115 ( 0.863 -4.739 0.000) 4.817 10.536 ( -5.116 -3.865 -0.000) 6.412 10.542 ( -4.803 3.111 -0.000) 5.722 10.628 ( 5.636 -3.781 0.000) 6.787 11.028 ( 7.344 -10.709 0.000) 12.985 11.709 ( -6.330 0.954 -0.000) 6.401 12.229 ( -10.635 -3.284 -0.000) 11.130 12.352 ( 7.800 4.006 0.000) 8.769 12.691 ( 8.179 6.813 0.000) 10.645 13.128 ( -9.261 -6.334 -0.000) 11.220 13.911 ( 0.108 9.252 -0.000) 9.253 13.944 ( -10.470 -5.271 -0.000) 11.722 14.085 ( 9.465 -2.681 0.000) 9.838 16.853 ( 10.550 13.678 0.000) 17.274 ======================= Grid point 93 (59/156) ======================= q-point: ( 0.05 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 16.281 -7.002 21.343) 27.742 1.746 ( 6.341 -17.853 18.895) 26.757 2.972 ( 2.523 -19.416 31.251) 36.878 3.495 ( 2.246 2.579 -17.383) 17.717 3.818 ( 0.036 -11.156 -21.276) 24.023 4.453 ( -1.974 3.194 -2.374) 4.442 4.804 ( -5.913 2.283 12.871) 14.347 5.158 ( 1.736 0.064 1.195) 2.108 5.292 ( 2.568 -7.414 -2.136) 8.132 5.422 ( 6.150 -3.069 -5.289) 8.672 5.642 ( 2.203 -10.027 -1.155) 10.331 6.532 ( 4.605 5.742 1.648) 7.542 6.752 ( -4.133 6.710 -2.531) 8.277 6.823 ( -7.414 4.457 3.686) 9.403 7.651 ( 4.573 -7.652 -2.444) 9.244 8.217 ( -0.820 2.879 5.976) 6.684 8.679 ( -0.493 8.473 -11.216) 14.065 8.714 ( -4.079 -1.321 -10.923) 11.734 9.037 ( 5.382 -6.550 -1.535) 8.615 9.524 ( -0.552 0.939 -12.378) 12.426 9.778 ( 3.947 -10.477 4.045) 11.904 9.909 ( -13.696 1.146 5.050) 14.642 10.214 ( 4.657 1.310 3.174) 5.786 10.357 ( 3.517 -2.107 1.632) 4.413 10.530 ( 3.731 8.844 -1.261) 9.681 11.104 ( 2.609 5.978 1.295) 6.650 11.474 ( -3.808 -5.149 1.802) 6.653 11.738 ( -10.912 13.679 6.615) 18.707 11.841 ( 5.093 4.522 8.898) 11.205 12.250 ( -0.551 2.558 -7.890) 8.313 12.950 ( -7.749 0.686 2.695) 8.233 13.203 ( -6.276 14.530 2.332) 15.998 13.649 ( 4.074 -5.016 1.990) 6.761 14.085 ( 3.277 2.666 3.809) 5.688 14.566 ( 1.957 -6.417 16.644) 17.945 16.638 ( -1.225 -5.575 -21.251) 22.004 ======================= Grid point 94 (60/156) ======================= q-point: ( 0.05 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 5.859 -12.878 9.318) 16.941 2.429 ( 5.471 -5.996 12.904) 15.245 3.215 ( -8.169 -7.880 -15.152) 18.931 3.469 ( 9.277 -0.297 -11.391) 14.693 3.565 ( 11.998 6.123 0.414) 13.477 4.537 ( -2.914 0.274 -9.787) 10.215 4.708 ( 1.619 4.294 14.494) 15.203 5.073 ( 0.207 0.443 3.196) 3.233 5.333 ( 2.864 5.443 8.654) 10.617 5.730 ( 4.966 -2.883 1.519) 5.940 5.954 ( 1.334 -6.422 5.583) 8.613 6.506 ( -3.607 2.648 2.455) 5.104 6.588 ( -7.154 3.194 0.156) 7.836 6.733 ( 0.830 7.088 -9.417) 11.816 7.633 ( 2.557 -5.815 -4.030) 7.523 8.111 ( 5.993 5.430 -11.356) 13.941 8.522 ( 2.899 -5.769 5.686) 8.603 8.742 ( 1.383 0.105 -5.632) 5.801 9.088 ( 0.006 -3.475 1.646) 3.845 9.551 ( -3.726 -1.275 -0.433) 3.962 9.691 ( 5.141 1.689 4.413) 6.983 10.018 ( -1.420 2.198 6.381) 6.896 10.284 ( 2.056 -6.184 -6.089) 8.919 10.375 ( -3.828 -6.537 -0.457) 7.589 10.610 ( -0.868 5.135 5.630) 7.669 10.994 ( -6.303 -17.580 -4.772) 19.276 11.224 ( -5.293 8.121 8.324) 12.777 11.435 ( -3.986 -2.204 -11.943) 12.782 12.001 ( -7.545 -0.047 -2.865) 8.071 12.331 ( 6.341 20.008 7.708) 22.359 12.769 ( 3.476 -0.551 -1.096) 3.686 13.117 ( 3.718 10.338 -3.739) 11.605 13.689 ( -4.353 -4.632 5.639) 8.497 14.140 ( -4.344 -9.818 3.632) 11.333 14.871 ( -4.267 0.540 11.504) 12.282 16.269 ( 1.178 11.069 -13.105) 17.194 ======================= Grid point 95 (61/156) ======================= q-point: ( 0.05 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -9.533 -18.847 -5.556) 21.840 2.428 ( -7.802 -2.049 -3.953) 8.983 3.118 ( 3.776 5.476 1.820) 6.896 3.600 ( 5.989 -5.519 -0.724) 8.177 4.069 ( 6.001 -0.032 -3.259) 6.829 4.270 ( 9.834 4.970 -13.096) 17.115 4.909 ( -4.668 7.716 10.410) 13.773 5.200 ( -6.940 4.786 4.741) 9.672 5.431 ( -2.654 2.059 2.460) 4.163 5.833 ( -4.631 3.187 1.788) 5.899 5.968 ( 0.425 -4.013 7.246) 8.294 6.309 ( -1.655 5.161 0.311) 5.429 6.497 ( 0.023 0.556 -7.857) 7.877 6.634 ( -0.523 7.844 5.892) 9.824 7.931 ( 10.215 -1.436 -3.384) 10.857 8.101 ( 2.465 1.320 -7.306) 7.823 8.691 ( -3.442 -1.630 7.252) 8.191 8.914 ( 9.572 -10.034 4.810) 14.677 9.167 ( -0.115 -1.249 0.688) 1.430 9.299 ( -6.129 -4.291 -3.028) 8.071 9.664 ( -4.380 7.844 -1.227) 9.067 9.857 ( -3.295 6.668 -4.587) 8.739 10.126 ( -1.911 -10.188 -2.215) 10.600 10.410 ( 2.712 -4.191 2.289) 5.491 10.671 ( 1.790 -4.219 -0.169) 4.587 10.809 ( -4.096 -1.489 -3.289) 5.460 11.029 ( -4.883 -14.040 -2.542) 15.081 11.578 ( 6.940 0.252 2.811) 7.492 11.786 ( 8.870 -2.421 1.147) 9.266 12.514 ( -5.330 16.143 8.859) 19.170 12.820 ( -2.878 13.538 -6.207) 15.169 13.333 ( 4.776 -22.822 -0.905) 23.334 13.677 ( 3.903 5.537 1.664) 6.976 13.957 ( -9.888 -3.902 11.209) 15.448 14.523 ( -8.199 2.161 -15.584) 17.741 16.409 ( 8.606 18.423 3.649) 20.659 ======================= Grid point 96 (62/156) ======================= q-point: ( 0.05 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -11.397 -25.376 -0.000) 27.818 1.297 ( -24.602 -12.275 -0.000) 27.494 2.189 ( -39.780 -7.846 -0.000) 40.546 4.157 ( 5.061 -0.029 0.000) 5.061 4.192 ( 11.373 0.215 0.000) 11.375 4.315 ( -13.509 7.421 -0.000) 15.413 4.696 ( -8.628 0.284 -0.000) 8.632 5.145 ( 13.734 9.110 0.000) 16.481 5.313 ( -8.882 -16.729 -0.000) 18.940 5.355 ( -7.974 -3.192 -0.000) 8.589 5.913 ( 0.822 -3.484 0.000) 3.579 6.286 ( -4.749 -0.115 -0.000) 4.750 6.743 ( 10.717 5.726 0.000) 12.151 6.797 ( 4.514 5.164 0.000) 6.859 7.794 ( -9.356 -4.664 -0.000) 10.455 7.867 ( -5.257 -3.131 -0.000) 6.119 8.740 ( 1.562 0.389 0.000) 1.609 9.146 ( 1.588 -9.395 0.000) 9.528 9.300 ( 6.054 10.478 0.000) 12.101 9.497 ( 5.235 -2.014 0.000) 5.609 9.837 ( -9.046 12.771 -0.000) 15.651 10.006 ( -2.845 -9.198 -0.000) 9.628 10.048 ( 13.308 3.694 0.000) 13.812 10.530 ( 2.550 -1.774 0.000) 3.106 10.670 ( 7.919 18.449 0.000) 20.077 10.685 ( 5.642 -2.856 0.000) 6.324 11.056 ( 12.275 -8.078 0.000) 14.694 11.542 ( -14.869 3.812 -0.000) 15.350 11.801 ( -15.148 -12.133 -0.000) 19.408 12.582 ( 10.891 -0.182 0.000) 10.893 12.868 ( -1.820 5.140 -0.000) 5.453 13.093 ( 5.608 2.558 0.000) 6.164 13.626 ( -7.848 -8.023 -0.000) 11.224 13.990 ( 4.699 -2.806 0.000) 5.474 14.193 ( -3.108 4.416 -0.000) 5.400 17.213 ( 5.907 7.171 0.000) 9.291 ======================= Grid point 98 (63/156) ======================= q-point: ( 0.05 0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 10.623 -16.608 17.075) 26.081 1.759 ( 18.324 -5.869 18.350) 26.588 2.980 ( 21.307 -3.065 34.589) 40.740 3.576 ( -5.660 -6.924 -21.551) 23.333 3.637 ( 7.205 5.186 -17.120) 19.285 4.509 ( -0.428 1.960 1.641) 2.592 4.812 ( -2.058 7.133 8.838) 11.542 5.139 ( -1.695 -5.998 -6.736) 9.177 5.244 ( 0.845 2.082 -3.038) 3.778 5.491 ( 9.033 -0.643 -3.568) 9.734 5.535 ( 6.801 -9.854 7.593) 14.178 6.600 ( -6.824 -1.508 6.156) 9.313 6.776 ( -4.382 2.975 -3.218) 6.198 6.901 ( 5.200 6.290 -2.496) 8.534 7.556 ( 0.704 -4.264 -3.642) 5.652 8.257 ( 0.084 0.367 11.039) 11.046 8.544 ( -9.380 2.766 -14.700) 17.655 8.884 ( 1.222 1.419 -5.738) 6.036 9.014 ( 4.008 -2.768 -8.435) 9.741 9.510 ( 3.607 -4.883 -2.280) 6.485 9.681 ( 4.040 2.501 -6.260) 7.859 9.886 ( -0.362 5.793 9.729) 11.329 10.312 ( 0.119 2.526 -1.859) 3.139 10.338 ( 1.921 -2.630 3.301) 4.637 10.606 ( -5.257 -7.039 -2.834) 9.231 10.986 ( -13.120 -5.888 1.243) 14.435 11.280 ( -2.992 7.465 9.389) 12.362 11.768 ( -1.974 3.278 -6.527) 7.566 12.163 ( -9.321 -3.850 -4.790) 11.164 12.209 ( 7.087 7.428 12.315) 16.034 12.937 ( -4.419 9.437 2.729) 10.772 13.316 ( -8.463 5.574 5.554) 11.556 13.527 ( -0.212 -4.835 3.957) 6.251 14.015 ( -3.937 -4.892 1.695) 6.505 14.575 ( 6.246 -1.560 14.343) 15.721 16.654 ( 6.374 1.224 -21.136) 22.111 ======================= Grid point 99 (64/156) ======================= q-point: ( 0.05 0.55 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -0.294 -13.192 2.004) 13.347 2.469 ( 2.545 -1.718 6.739) 7.406 3.021 ( -1.333 -1.981 -4.707) 5.278 3.633 ( 4.795 3.758 -10.669) 12.286 3.950 ( 13.413 1.115 -4.939) 14.337 4.609 ( 3.701 8.938 -19.324) 21.610 4.762 ( -1.165 -3.055 19.762) 20.031 5.106 ( 0.021 3.632 5.194) 6.338 5.490 ( 1.829 3.123 16.661) 17.049 5.761 ( -3.428 -8.695 2.989) 9.813 5.843 ( 5.455 2.307 -2.536) 6.443 6.460 ( -3.724 0.184 1.048) 3.873 6.555 ( -2.206 3.659 1.483) 4.522 6.764 ( -3.618 1.983 -4.932) 6.430 7.794 ( 11.620 2.153 -3.188) 12.241 8.252 ( 2.766 -1.223 -9.665) 10.127 8.477 ( 3.463 -4.676 8.361) 10.186 8.720 ( -2.535 -0.093 -5.086) 5.684 9.074 ( 1.342 2.314 4.306) 5.069 9.405 ( -4.260 -6.320 -6.869) 10.260 9.894 ( 2.398 2.226 -5.392) 6.307 10.014 ( -2.036 -1.768 4.376) 5.140 10.082 ( -5.332 6.539 4.717) 9.666 10.322 ( 2.759 0.275 -4.520) 5.303 10.509 ( -5.858 -8.980 2.316) 10.969 10.747 ( 3.811 -3.024 2.345) 5.401 11.207 ( -8.973 2.708 -6.109) 11.188 11.388 ( 0.958 -0.137 0.300) 1.013 11.823 ( -7.531 -1.250 1.377) 7.758 12.692 ( -2.197 8.864 5.695) 10.762 12.758 ( 6.328 -12.355 -1.274) 13.940 13.240 ( -3.366 5.948 1.296) 6.957 13.636 ( 2.693 0.440 3.636) 4.546 13.848 ( -5.748 -4.885 2.216) 7.862 14.860 ( -1.639 2.756 -0.241) 3.216 16.545 ( 4.359 8.829 -4.920) 11.007 ======================= Grid point 100 (65/156) ======================= q-point: ( 0.05 -0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -12.892 -11.125 -8.521) 19.042 2.190 ( -14.351 -2.000 -5.663) 15.557 3.253 ( -3.792 5.556 -2.512) 7.181 3.592 ( 4.673 -4.147 5.058) 8.039 4.141 ( 3.507 -0.864 -8.128) 8.895 4.532 ( 5.516 6.212 -4.260) 9.336 4.878 ( -7.407 -0.673 14.079) 15.923 5.122 ( -9.330 4.932 -4.598) 11.511 5.511 ( 1.559 -0.243 5.903) 6.111 5.632 ( -3.630 -13.315 2.924) 14.107 5.815 ( -5.036 0.481 -4.136) 6.534 6.399 ( -0.843 -0.438 0.938) 1.334 6.551 ( 0.355 8.290 -3.651) 9.065 6.787 ( -1.817 8.299 5.913) 10.351 7.955 ( 0.203 -5.486 -0.538) 5.516 8.136 ( -0.196 -1.596 -7.687) 7.853 8.616 ( -2.879 1.742 7.126) 7.881 8.871 ( 6.513 -6.625 9.680) 13.416 9.103 ( -1.381 -3.793 -4.440) 6.001 9.336 ( 11.175 4.080 -2.633) 12.184 9.756 ( -1.378 3.475 -5.066) 6.296 9.988 ( -0.817 -0.706 -2.950) 3.142 10.117 ( 3.437 14.588 1.402) 15.053 10.351 ( -2.290 -4.337 4.740) 6.821 10.569 ( 2.880 -9.586 3.851) 10.725 10.717 ( -0.293 -2.039 -4.428) 4.884 10.814 ( 0.199 0.848 -12.138) 12.169 11.669 ( 2.019 -1.905 2.479) 3.722 11.933 ( 12.641 -5.158 7.322) 15.492 12.474 ( -11.762 2.551 2.139) 12.224 12.977 ( 1.103 -11.253 1.831) 11.454 13.049 ( -5.166 13.942 -1.811) 14.978 13.762 ( -0.498 -8.193 2.946) 8.721 13.800 ( 3.626 -3.551 -0.898) 5.154 14.496 ( -5.843 8.136 -13.275) 16.630 16.848 ( 7.184 10.059 7.613) 14.517 ======================= Grid point 101 (66/156) ======================= q-point: ( 0.10 -0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -20.152 14.561 -0.000) 24.862 1.173 ( -28.780 0.369 -0.000) 28.782 2.064 ( -46.734 -4.825 -0.000) 46.983 4.142 ( 6.433 -1.601 0.000) 6.630 4.226 ( 11.379 3.232 0.000) 11.829 4.398 ( -12.263 -4.072 -0.000) 12.921 4.657 ( -7.795 -3.947 -0.000) 8.738 5.089 ( -5.484 0.194 -0.000) 5.487 5.270 ( 15.129 1.897 0.000) 15.248 5.338 ( -10.084 1.329 -0.000) 10.171 5.830 ( 1.051 -2.806 0.000) 2.997 6.287 ( -6.301 0.057 -0.000) 6.301 6.823 ( 10.343 1.947 0.000) 10.525 6.894 ( 0.759 3.563 0.000) 3.643 7.743 ( -10.415 -0.501 -0.000) 10.427 7.822 ( -3.627 -1.223 -0.000) 3.828 8.836 ( -0.637 8.279 -0.000) 8.304 8.978 ( 0.243 -5.511 0.000) 5.516 9.195 ( 16.556 -10.315 0.000) 19.506 9.656 ( -3.525 7.087 -0.000) 7.916 9.752 ( -2.342 -12.939 0.000) 13.149 10.014 ( -7.009 4.748 -0.000) 8.466 10.236 ( 14.924 14.105 0.000) 20.535 10.424 ( 6.134 -6.824 0.000) 9.176 10.667 ( 1.797 0.895 0.000) 2.007 10.847 ( 13.087 -9.863 0.000) 16.388 11.169 ( 6.311 22.018 0.000) 22.905 11.377 ( -7.406 -14.413 -0.000) 16.204 11.836 ( -24.197 9.224 -0.000) 25.895 12.531 ( 12.932 -2.371 0.000) 13.147 12.966 ( -7.031 2.316 -0.000) 7.403 13.089 ( 11.084 -2.692 0.000) 11.406 13.449 ( -3.339 -6.667 -0.000) 7.456 13.933 ( 5.966 -1.819 0.000) 6.237 14.285 ( -7.939 3.510 -0.000) 8.680 17.301 ( 4.676 0.813 0.000) 4.746 ======================= Grid point 102 (67/156) ======================= q-point: ( 0.10 0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.000 0.000 30.763) 30.763 0.582 ( -0.000 0.000 30.763) 30.763 1.209 ( -0.000 0.000 63.842) 63.842 3.899 ( 0.000 -0.000 -18.656) 18.656 3.899 ( 0.000 -0.000 -18.656) 18.656 4.383 ( -0.000 0.000 7.852) 7.852 4.664 ( -0.000 0.000 14.162) 14.162 4.664 ( -0.000 0.000 14.162) 14.162 5.146 ( -0.000 0.000 1.615) 1.615 5.723 ( 0.000 -0.000 -13.560) 13.560 5.723 ( 0.000 -0.000 -13.560) 13.560 6.473 ( -0.000 0.000 4.240) 4.240 6.911 ( 0.000 -0.000 -3.443) 3.443 7.083 ( 0.000 -0.000 -2.821) 2.821 7.792 ( -0.000 0.000 3.690) 3.690 8.311 ( 0.000 -0.000 -1.816) 1.816 8.710 ( -0.000 0.000 0.702) 0.702 8.710 ( -0.000 0.000 0.702) 0.702 9.424 ( 0.000 -0.000 -9.067) 9.067 9.424 ( 0.000 -0.000 -9.067) 9.067 9.629 ( 0.000 -0.000 -20.586) 20.586 9.920 ( -0.000 0.000 11.516) 11.516 9.920 ( -0.000 0.000 11.516) 11.516 10.550 ( 0.000 -0.000 -6.534) 6.534 10.977 ( -0.000 0.000 0.850) 0.850 11.016 ( -0.000 0.000 0.589) 0.589 11.016 ( -0.000 0.000 0.589) 0.589 11.429 ( -0.000 0.000 16.360) 16.360 12.588 ( 0.000 -0.000 -19.013) 19.013 12.806 ( -0.000 0.000 0.108) 0.108 13.374 ( -0.000 0.000 1.699) 1.699 13.374 ( -0.000 0.000 1.699) 1.699 13.631 ( -0.000 0.000 19.665) 19.665 14.068 ( -0.000 0.000 1.074) 1.074 14.068 ( -0.000 0.000 1.074) 1.074 16.133 ( 0.000 -0.000 -4.362) 4.362 ======================= Grid point 103 (68/156) ======================= q-point: ( 0.10 0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 9.074 -2.243 22.287) 24.167 1.692 ( 18.454 -0.644 20.115) 27.306 2.953 ( 24.898 -0.102 35.411) 43.288 3.491 ( -4.363 -1.940 -19.203) 19.788 3.755 ( 10.039 5.777 -19.966) 23.082 4.502 ( -2.112 -2.225 1.771) 3.542 4.909 ( -0.252 -1.799 10.587) 10.742 5.064 ( 1.088 3.014 -5.585) 6.438 5.301 ( 2.180 3.353 -1.838) 4.401 5.354 ( 4.641 -6.048 2.990) 8.189 5.566 ( 9.812 5.636 -4.695) 12.251 6.536 ( -3.839 -3.844 3.348) 6.382 6.798 ( -5.686 -0.685 -3.035) 6.482 6.933 ( -1.844 -2.762 -0.412) 3.347 7.561 ( 2.495 3.741 -2.240) 5.024 8.242 ( -1.870 -1.454 9.942) 10.220 8.602 ( -6.309 3.440 -11.984) 13.973 8.845 ( 0.573 -3.935 -11.444) 12.115 8.989 ( 2.245 -1.034 -1.821) 3.070 9.516 ( 3.654 2.766 -9.255) 10.328 9.687 ( 11.497 1.927 -2.698) 11.966 10.066 ( -1.454 9.936 7.993) 12.835 10.228 ( 1.889 -14.704 -0.542) 14.835 10.330 ( -2.641 -1.829 0.876) 3.330 10.441 ( -10.087 2.678 1.332) 10.521 11.028 ( -8.721 5.090 -0.222) 10.101 11.410 ( 1.431 6.006 4.180) 7.456 11.800 ( 1.519 0.673 0.203) 1.674 12.014 ( -16.583 -12.076 1.282) 20.554 12.264 ( -3.434 -0.778 4.877) 6.015 13.045 ( -2.313 -0.936 3.519) 4.314 13.310 ( -10.421 -2.598 6.884) 12.757 13.553 ( -1.126 4.033 3.896) 5.719 13.999 ( -4.056 3.876 1.716) 5.866 14.546 ( 9.022 -0.608 13.766) 16.471 16.657 ( 10.672 -0.689 -21.979) 24.443 ======================= Grid point 104 (69/156) ======================= q-point: ( 0.10 0.50 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 1.352 1.656 9.035) 9.284 2.443 ( 2.910 -0.542 5.777) 6.492 3.030 ( -1.442 3.035 -1.863) 3.842 3.684 ( 5.320 -0.123 -10.312) 11.604 3.948 ( 11.463 -0.482 -8.076) 14.031 4.654 ( -0.521 -6.979 12.245) 14.104 4.796 ( 2.211 9.975 -21.924) 24.187 5.188 ( 2.398 3.253 12.632) 13.263 5.423 ( -0.759 -10.861 3.180) 11.342 5.644 ( -0.468 -0.763 12.786) 12.817 5.917 ( 4.198 4.059 -1.484) 6.025 6.443 ( -3.329 -1.246 1.100) 3.721 6.628 ( -3.564 2.184 -1.302) 4.379 6.715 ( 3.511 -5.752 0.183) 6.741 7.842 ( 7.677 2.132 -4.436) 9.119 8.204 ( 3.798 -1.743 -10.383) 11.193 8.464 ( -0.461 2.349 7.910) 8.264 8.704 ( -0.303 -1.993 -3.732) 4.242 9.171 ( 3.499 6.482 2.432) 7.757 9.271 ( -5.653 -5.160 -4.555) 8.907 9.875 ( -3.421 -0.696 -0.194) 3.497 10.102 ( 1.322 6.558 -1.955) 6.970 10.121 ( -1.088 -2.709 0.880) 3.049 10.304 ( -0.212 -4.228 3.650) 5.590 10.480 ( -0.500 7.140 2.664) 7.637 10.760 ( -0.568 3.871 1.066) 4.055 11.233 ( -10.188 0.146 -2.802) 10.567 11.401 ( -3.712 1.789 -1.899) 4.537 11.755 ( -3.739 -5.719 3.615) 7.730 12.537 ( 3.256 -9.187 -1.886) 9.928 12.776 ( -1.637 2.193 0.275) 2.750 13.306 ( -0.260 -5.686 2.264) 6.125 13.616 ( -0.378 2.961 2.005) 3.596 13.846 ( -4.575 3.062 0.702) 5.550 14.921 ( -1.161 3.488 3.790) 5.280 16.622 ( 5.627 -1.067 -5.461) 7.913 ======================= Grid point 105 (70/156) ======================= q-point: ( 0.10 -0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -14.973 11.293 -4.425) 19.269 2.177 ( -15.548 0.734 -5.155) 16.397 3.324 ( -2.742 1.907 0.278) 3.351 3.565 ( 2.374 1.144 2.181) 3.421 4.106 ( 3.738 -2.583 -9.252) 10.307 4.604 ( 5.788 -0.217 -3.695) 6.870 4.817 ( -3.441 -4.200 14.240) 15.240 5.103 ( -11.648 -12.484 -5.698) 18.000 5.407 ( -4.553 2.082 -7.507) 9.023 5.563 ( -0.099 1.381 12.120) 12.199 5.847 ( -5.774 2.082 -3.730) 7.182 6.378 ( -1.581 -1.217 1.991) 2.819 6.689 ( 1.096 4.442 -1.883) 4.947 6.894 ( -0.357 1.530 3.857) 4.165 7.868 ( -0.339 -3.129 1.280) 3.398 8.111 ( -0.187 -0.638 -7.264) 7.295 8.602 ( -0.883 -3.087 8.720) 9.293 8.803 ( 5.509 0.734 -0.429) 5.574 9.009 ( -1.079 -4.062 -2.973) 5.148 9.532 ( 13.502 13.657 2.556) 19.374 9.809 ( -2.308 1.766 -2.551) 3.867 9.933 ( -0.568 -3.443 -5.628) 6.622 10.290 ( -8.032 -3.878 5.449) 10.452 10.294 ( 5.916 0.466 5.263) 7.932 10.438 ( -0.935 -0.445 0.490) 1.146 10.677 ( -2.274 -1.749 -2.208) 3.620 10.989 ( 7.742 15.297 -10.087) 19.892 11.586 ( -1.534 -6.599 -0.010) 6.775 11.855 ( 11.468 -1.984 9.056) 14.747 12.556 ( -4.546 6.848 -1.300) 8.322 12.768 ( 1.519 -9.756 -0.176) 9.875 13.239 ( -4.341 0.893 -0.216) 4.437 13.573 ( -2.485 -5.824 -0.449) 6.348 13.753 ( 2.936 -2.048 -3.617) 5.089 14.649 ( -7.420 6.682 -6.618) 11.979 16.949 ( 7.335 0.079 7.797) 10.706 ======================= Grid point 112 (71/156) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 9.303 22.739 7.857) 25.794 1.703 ( 16.573 17.591 9.752) 26.062 2.616 ( 17.313 14.407 20.727) 30.609 3.894 ( -2.163 3.907 -16.675) 17.263 4.066 ( 6.295 -6.766 -11.528) 14.775 4.451 ( -4.170 -3.222 13.256) 14.266 4.590 ( 4.014 1.235 -8.879) 9.822 4.985 ( -7.238 -7.429 6.294) 12.132 5.496 ( 6.083 8.408 -0.050) 10.378 5.580 ( 11.787 10.332 2.989) 15.957 5.731 ( 0.140 -6.644 -14.878) 16.294 6.448 ( 0.746 -3.614 10.627) 11.249 6.682 ( -12.057 1.234 3.201) 12.535 6.703 ( -7.331 -4.036 -0.382) 8.377 7.809 ( 10.152 5.685 -5.443) 12.845 8.087 ( 3.667 3.762 8.950) 10.378 8.765 ( -6.214 -11.472 -13.512) 18.782 8.821 ( -1.407 1.544 0.619) 2.179 9.276 ( 2.437 0.508 -8.036) 8.413 9.526 ( -3.931 -6.511 5.008) 9.106 9.656 ( 2.769 -0.932 1.852) 3.459 9.881 ( -1.658 4.264 -10.181) 11.162 10.211 ( -3.320 3.812 5.346) 7.358 10.401 ( 4.178 -0.589 -1.555) 4.497 10.598 ( -7.090 -1.766 -0.131) 7.308 10.874 ( -4.370 -5.927 13.050) 14.984 11.273 ( -2.163 3.180 2.450) 4.560 11.474 ( 5.989 -3.567 8.467) 10.967 12.066 ( 1.019 13.811 -4.478) 14.554 12.382 ( -0.785 -8.107 -7.548) 11.104 12.818 ( -4.313 -0.584 -2.161) 4.859 13.079 ( -4.369 -2.210 4.299) 6.516 13.667 ( 9.114 -1.470 -1.693) 9.385 14.010 ( 3.076 -5.370 6.793) 9.189 14.328 ( -3.611 5.936 9.810) 12.021 16.919 ( -7.695 -6.435 -13.471) 16.796 ======================= Grid point 113 (72/156) ======================= q-point: ( 0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 7.357 15.838 10.015) 20.131 2.397 ( 7.108 6.891 9.682) 13.848 3.190 ( -3.547 -3.357 2.909) 5.685 3.643 ( 2.844 5.279 -4.985) 7.798 4.115 ( 3.360 -1.886 -3.101) 4.946 4.555 ( 8.245 -2.730 -9.772) 13.074 4.666 ( 0.442 -6.945 10.391) 12.506 5.024 ( -5.132 -8.445 -1.315) 9.969 5.342 ( -1.972 -2.584 -6.814) 7.550 5.699 ( 5.915 -0.458 -2.097) 6.292 5.898 ( -0.308 3.713 2.057) 4.256 6.345 ( -2.519 -0.730 2.733) 3.788 6.515 ( -1.368 -5.417 -5.491) 7.833 6.640 ( -1.301 0.449 4.869) 5.059 8.039 ( -0.154 4.512 -4.811) 6.597 8.323 ( 4.553 -11.829 -6.585) 14.283 8.372 ( 2.483 4.870 8.281) 9.923 8.784 ( 1.157 7.025 -9.831) 12.138 9.248 ( -1.761 3.396 5.421) 6.635 9.385 ( 1.335 2.347 -2.627) 3.767 9.681 ( -6.879 -15.542 7.070) 18.408 9.964 ( 2.215 0.087 6.081) 6.472 10.102 ( -2.328 6.581 -0.049) 6.981 10.450 ( -0.239 6.835 -0.983) 6.909 10.681 ( 3.458 5.135 1.120) 6.291 10.858 ( -2.753 3.173 4.861) 6.425 11.093 ( -4.331 7.980 9.129) 12.876 11.637 ( -3.254 -0.826 -2.457) 4.161 11.847 ( -7.155 4.610 -12.831) 15.397 12.262 ( 4.168 -9.939 -4.485) 11.674 12.814 ( 5.345 -12.624 1.693) 13.813 13.173 ( 10.585 14.662 -7.425) 19.548 13.685 ( -3.497 -6.230 -1.576) 7.316 13.947 ( -10.124 6.887 4.375) 13.003 14.732 ( 4.213 -2.452 17.365) 18.036 16.409 ( -4.719 -16.371 -10.325) 19.922 ======================= Grid point 114 (73/156) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -9.142 2.681 -6.601) 11.591 2.356 ( -6.356 15.405 -0.361) 16.669 3.270 ( 4.062 4.065 8.500) 10.261 3.689 ( -2.167 -1.307 1.403) 2.894 3.994 ( -12.950 0.711 2.801) 13.269 4.461 ( 2.698 -4.802 -5.179) 7.561 4.590 ( -3.518 -6.717 -0.742) 7.619 5.041 ( 2.860 -0.123 -16.502) 16.749 5.199 ( 1.460 -6.149 11.507) 13.129 5.795 ( 2.975 3.987 -7.456) 8.963 5.872 ( -5.292 -1.095 4.272) 6.889 6.362 ( 1.235 -2.039 -5.412) 5.914 6.499 ( 4.534 -5.492 2.671) 7.606 6.812 ( 4.230 -2.520 3.410) 5.989 7.795 ( -3.393 0.332 1.251) 3.631 8.375 ( -4.844 1.666 1.770) 5.420 8.518 ( -5.917 5.714 -0.092) 8.226 8.750 ( 7.337 -2.497 0.437) 7.763 9.041 ( -1.801 3.191 -0.255) 3.673 9.600 ( 0.060 -0.914 6.644) 6.707 9.677 ( -0.367 -12.458 -2.815) 12.778 10.001 ( -3.695 -0.119 3.717) 5.242 10.206 ( 7.646 13.842 -1.692) 15.903 10.443 ( 0.310 5.505 2.238) 5.951 10.540 ( -5.695 1.581 -4.850) 7.646 10.880 ( -0.055 11.430 -4.969) 12.464 11.193 ( 1.804 -1.263 7.850) 8.153 11.488 ( 2.954 2.210 -0.530) 3.727 11.847 ( 8.908 1.733 1.355) 9.175 12.285 ( 1.374 -17.845 -3.149) 18.173 12.930 ( -4.703 -1.083 1.733) 5.128 13.252 ( -4.632 9.070 -1.863) 10.353 13.547 ( 0.858 -2.453 -1.605) 3.054 13.832 ( 8.721 5.700 -7.795) 13.012 14.794 ( -7.998 -2.877 -3.001) 9.014 16.427 ( 6.185 -16.457 8.509) 19.532 ======================= Grid point 116 (74/156) ======================= q-point: ( 0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 23.209 16.992 0.000) 28.764 1.787 ( 7.398 23.291 0.000) 24.438 2.790 ( -2.056 32.188 -0.000) 32.254 3.982 ( 0.294 -7.965 0.000) 7.970 4.075 ( 5.629 -11.693 0.000) 12.977 4.412 ( -12.835 10.685 -0.000) 16.700 4.664 ( -5.806 1.137 -0.000) 5.917 4.974 ( -5.547 -8.259 -0.000) 9.949 5.325 ( 9.406 3.160 0.000) 9.923 5.677 ( 7.673 13.511 0.000) 15.538 5.781 ( 0.385 -3.585 0.000) 3.606 6.378 ( 0.360 3.455 -0.000) 3.474 6.653 ( -2.835 -4.381 -0.000) 5.218 6.853 ( -8.927 -1.963 -0.000) 9.140 7.911 ( 3.735 4.119 0.000) 5.560 7.974 ( 3.589 6.629 0.000) 7.538 8.698 ( -5.919 -11.001 -0.000) 12.492 8.921 ( -2.324 -0.489 -0.000) 2.375 8.971 ( 9.282 -6.199 0.000) 11.161 9.648 ( -8.209 7.182 -0.000) 10.907 9.792 ( 0.401 2.793 -0.000) 2.822 10.175 ( -0.402 5.807 -0.000) 5.821 10.179 ( 10.816 -16.367 0.000) 19.618 10.273 ( -6.123 2.964 -0.000) 6.803 10.456 ( -3.350 -8.215 -0.000) 8.872 10.730 ( 7.783 -1.385 0.000) 7.905 11.288 ( -6.819 6.076 -0.000) 9.133 11.319 ( 5.326 -4.319 0.000) 6.857 12.251 ( 0.294 -14.245 0.000) 14.248 12.415 ( 2.808 18.389 -0.000) 18.603 12.783 ( 0.127 -11.527 0.000) 11.528 13.059 ( -3.283 3.682 -0.000) 4.933 13.495 ( 4.490 3.154 0.000) 5.487 13.762 ( -2.507 -7.990 -0.000) 8.374 14.501 ( 0.335 10.114 -0.000) 10.120 17.103 ( -8.967 -7.919 -0.000) 11.964 ======================= Grid point 117 (75/156) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 7.213 11.728 2.165) 13.938 2.280 ( 8.766 15.599 7.348) 19.344 3.010 ( 2.302 8.850 10.697) 14.073 3.960 ( -2.898 5.430 -9.376) 11.215 4.048 ( 5.200 -6.624 -6.603) 10.701 4.346 ( -0.235 -0.832 5.914) 5.977 4.691 ( 6.821 -2.592 -14.235) 15.996 4.786 ( -0.974 -5.118 15.565) 16.414 5.423 ( -9.137 -12.000 -10.081) 18.141 5.702 ( 0.848 2.094 4.205) 4.774 5.911 ( 5.557 3.055 -2.760) 6.916 6.300 ( -2.738 -2.964 1.780) 4.410 6.471 ( -3.968 -3.512 -0.918) 5.378 6.662 ( -3.276 4.481 8.590) 10.228 8.040 ( 5.680 -2.214 -5.290) 8.071 8.280 ( 4.685 6.511 5.559) 9.759 8.534 ( -6.600 -0.211 -12.991) 14.573 8.810 ( 6.066 -1.295 2.845) 6.824 9.212 ( 0.541 -8.058 -1.197) 8.165 9.435 ( -1.380 1.620 -0.761) 2.260 9.589 ( -7.528 0.579 -0.414) 7.561 9.944 ( -5.048 5.539 1.358) 7.616 10.239 ( 0.093 6.870 1.505) 7.034 10.506 ( 8.701 0.324 1.405) 8.820 10.597 ( 4.019 1.734 -0.132) 4.379 10.788 ( -1.991 0.799 8.263) 8.537 11.275 ( -4.208 8.990 5.061) 11.142 11.666 ( 12.738 -1.513 -3.093) 13.195 11.973 ( -6.877 -10.939 -9.989) 16.332 12.263 ( 2.484 -8.452 0.715) 8.838 12.715 ( -15.947 6.035 -1.561) 17.122 13.265 ( 15.871 9.341 -2.655) 18.606 13.595 ( -3.961 -10.724 -0.715) 11.455 14.058 ( 12.198 -4.802 8.130) 15.426 14.357 ( -8.629 10.503 8.045) 15.796 16.492 ( -14.794 -14.224 -7.962) 22.013 ======================= Grid point 118 (76/156) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 5.221 2.464 -0.179) 5.776 2.617 ( -0.587 4.801 3.917) 6.224 3.151 ( 1.304 6.303 7.964) 10.240 3.739 ( -3.571 4.163 0.213) 5.489 4.139 ( -4.850 2.691 5.431) 7.762 4.292 ( -7.693 -10.958 5.101) 14.328 4.642 ( 5.447 -3.872 -11.209) 13.050 4.947 ( 6.137 -5.423 -3.532) 8.919 5.261 ( -0.359 -3.602 -7.809) 8.608 5.665 ( 0.720 -8.201 1.605) 8.387 5.935 ( 0.780 2.928 -4.009) 5.025 6.340 ( 0.753 -6.527 0.707) 6.608 6.439 ( 1.665 4.302 0.362) 4.628 6.645 ( -0.755 1.889 4.387) 4.835 7.934 ( -9.844 -1.615 -3.179) 10.470 8.190 ( 0.884 -4.986 7.161) 8.770 8.584 ( 7.351 2.127 -4.610) 8.934 8.940 ( -1.078 7.173 -9.971) 12.330 9.159 ( -6.819 -6.538 3.642) 10.125 9.397 ( 1.838 -2.931 2.860) 4.489 9.565 ( 5.422 4.988 -1.520) 7.522 9.929 ( -0.121 -0.066 7.987) 7.988 10.358 ( 5.078 9.846 -2.126) 11.280 10.549 ( -3.062 6.740 2.828) 7.925 10.725 ( -0.647 -2.077 3.030) 3.730 11.012 ( 1.257 11.429 7.075) 13.500 11.246 ( -2.032 10.903 -7.691) 13.497 11.644 ( 6.193 3.401 4.103) 8.171 11.775 ( -11.451 5.796 -7.038) 14.637 12.014 ( -0.014 -16.364 -4.083) 16.865 12.676 ( 3.623 -14.436 5.113) 15.738 13.355 ( -1.096 -17.333 -5.408) 18.190 13.795 ( -4.047 23.462 -0.412) 23.812 13.940 ( 7.187 9.089 -3.989) 12.255 14.748 ( 2.012 -2.857 10.662) 11.220 15.926 ( -3.285 -23.251 -3.558) 23.750 ======================= Grid point 119 (77/156) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -9.397 5.112 -7.085) 12.830 2.445 ( -9.644 9.644 -9.706) 16.740 3.208 ( -5.277 -2.825 -8.699) 10.559 3.716 ( -3.090 3.266 13.776) 14.492 3.935 ( -1.756 11.514 11.329) 16.248 4.457 ( -2.339 -0.801 0.485) 2.519 4.514 ( 7.370 -0.999 -6.309) 9.753 5.030 ( 2.989 -6.283 -6.652) 9.626 5.231 ( 8.470 -0.017 6.906) 10.928 5.702 ( -4.403 -2.275 1.462) 5.167 5.946 ( -1.042 3.874 -5.192) 6.562 6.388 ( 6.355 -3.496 -5.208) 8.930 6.456 ( 2.000 -4.878 0.198) 5.276 6.742 ( -4.229 -3.345 0.338) 5.403 7.918 ( 5.818 9.866 7.656) 13.777 8.235 ( -6.310 -3.912 12.777) 14.778 8.458 ( -3.159 -0.628 -8.826) 9.396 8.817 ( -2.825 4.124 2.769) 5.715 9.201 ( 8.013 4.534 0.455) 9.218 9.424 ( -5.243 -5.627 -1.749) 7.887 9.608 ( 6.567 -5.235 -1.995) 8.632 9.960 ( -4.238 3.073 -1.357) 5.408 10.325 ( -6.882 -4.568 -6.200) 10.329 10.523 ( -3.206 6.074 0.868) 6.923 10.569 ( 0.544 7.628 1.421) 7.779 10.949 ( 0.466 -2.866 -7.992) 8.503 11.363 ( -3.470 2.962 -1.394) 4.770 11.614 ( 2.936 7.234 2.140) 8.095 11.807 ( 4.718 -12.724 5.337) 14.582 12.203 ( 5.242 3.253 6.001) 8.606 12.694 ( -1.194 -12.510 1.195) 12.623 13.188 ( -11.006 9.711 5.349) 15.621 13.617 ( 7.242 -3.068 -3.255) 8.512 14.198 ( 0.313 5.611 -5.956) 8.188 14.582 ( -0.214 -1.740 -15.146) 15.247 16.291 ( 11.570 -12.910 12.728) 21.506 ======================= Grid point 121 (78/156) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 4.179 12.630 0.000) 13.304 2.327 ( 13.633 15.391 0.000) 20.560 3.191 ( -3.225 14.706 -0.000) 15.055 3.838 ( 4.309 -12.033 0.000) 12.782 4.041 ( 5.867 -6.129 0.000) 8.484 4.412 ( -5.296 9.025 -0.000) 10.464 4.464 ( -1.990 -7.157 -0.000) 7.429 4.819 ( -4.245 -0.266 -0.000) 4.254 5.518 ( 3.371 4.127 0.000) 5.329 5.588 ( -11.539 -7.600 -0.000) 13.816 6.005 ( 4.281 7.469 0.000) 8.608 6.422 ( -2.995 1.172 -0.000) 3.216 6.566 ( -8.090 -2.278 -0.000) 8.404 6.572 ( -3.357 0.028 -0.000) 3.357 7.938 ( 0.544 -11.012 0.000) 11.026 8.158 ( 11.562 5.779 0.000) 12.926 8.729 ( 3.497 9.998 0.000) 10.592 8.749 ( -6.761 -8.204 -0.000) 10.631 9.014 ( 5.487 -2.009 0.000) 5.843 9.651 ( -7.631 8.109 -0.000) 11.136 9.769 ( -4.772 -0.907 -0.000) 4.857 10.131 ( 2.539 -5.293 0.000) 5.870 10.246 ( 4.300 1.780 0.000) 4.654 10.296 ( 5.685 4.399 0.000) 7.188 10.469 ( 5.398 3.811 0.000) 6.607 10.802 ( -0.141 -0.034 -0.000) 0.145 11.309 ( 2.330 -2.395 0.000) 3.341 11.402 ( 9.402 2.043 0.000) 9.621 11.965 ( -4.605 -10.553 -0.000) 11.513 12.266 ( -13.652 -6.968 -0.000) 15.327 12.998 ( 12.162 -2.321 0.000) 12.381 13.054 ( -0.175 0.382 -0.000) 0.420 13.579 ( -2.326 1.852 -0.000) 2.973 13.660 ( 5.507 2.451 0.000) 6.027 14.697 ( -3.135 13.339 -0.000) 13.703 16.642 ( -17.742 -12.686 -0.000) 21.811 ======================= Grid point 122 (79/156) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 3.236 4.672 0.009) 5.683 2.575 ( 1.840 2.570 2.151) 3.823 3.204 ( -0.799 12.980 7.499) 15.012 3.817 ( -6.054 -8.232 -1.818) 10.379 4.068 ( 2.699 -1.663 4.957) 5.884 4.327 ( -7.918 0.407 -1.361) 8.044 4.701 ( 2.409 -3.544 5.319) 6.830 4.743 ( 3.117 -2.846 -10.819) 11.613 5.176 ( 5.887 -3.188 -2.647) 7.199 5.598 ( -4.399 -5.815 3.661) 8.159 6.015 ( 1.670 3.330 -6.009) 7.070 6.253 ( -2.539 -2.036 -1.011) 3.409 6.442 ( 2.480 2.456 0.738) 3.567 6.638 ( -3.405 0.104 7.652) 8.376 7.993 ( 3.198 -7.364 -1.512) 8.169 8.210 ( -13.513 -0.528 0.124) 13.524 8.650 ( 8.418 5.713 -10.128) 14.355 8.967 ( 6.083 -3.208 1.712) 7.087 9.162 ( 2.456 2.025 -4.746) 5.715 9.413 ( -8.045 -1.520 -1.653) 8.352 9.520 ( 5.293 3.523 2.608) 6.872 9.885 ( -9.151 3.639 9.189) 13.469 10.467 ( 7.195 6.453 -7.374) 12.157 10.665 ( 0.880 0.668 -0.705) 1.310 10.716 ( -1.699 8.203 1.435) 8.499 10.924 ( 11.104 8.229 12.602) 18.704 11.480 ( 7.536 -1.176 -0.898) 7.679 11.594 ( -7.502 -1.465 -6.798) 10.229 11.800 ( 1.069 -2.912 -0.675) 3.175 12.128 ( 9.824 -16.883 5.324) 20.246 12.515 ( -20.783 13.777 -5.988) 25.644 13.067 ( -6.731 -22.799 0.609) 23.780 13.956 ( 17.483 14.205 -2.245) 22.638 14.196 ( 10.983 -5.545 4.659) 13.156 14.452 ( -6.426 18.068 5.149) 19.856 15.822 ( -18.711 -20.416 -5.006) 28.142 ======================= Grid point 123 (80/156) ======================= q-point: ( 0.10 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -2.208 -1.270 -4.465) 5.140 2.638 ( 5.299 -0.559 -0.072) 5.329 3.377 ( -1.008 6.273 0.194) 6.357 3.646 ( -3.647 0.902 5.906) 6.999 4.000 ( -9.035 11.020 14.613) 20.411 4.318 ( 8.072 -1.599 1.169) 8.312 4.580 ( -2.141 -6.102 -9.762) 11.710 4.890 ( 5.634 -7.753 -3.754) 10.292 5.221 ( -3.586 0.374 -4.493) 5.761 5.549 ( 4.565 -5.199 2.334) 7.302 6.024 ( 1.442 -0.408 -5.967) 6.152 6.245 ( 5.177 -5.796 0.313) 7.778 6.528 ( -3.571 3.286 -1.273) 5.016 6.670 ( 0.315 1.166 6.148) 6.266 7.816 ( -2.667 3.015 5.514) 6.827 8.115 ( 0.659 -0.474 2.192) 2.337 8.680 ( -0.423 -0.469 -8.873) 8.896 8.926 ( -8.579 0.201 4.606) 9.739 9.108 ( 10.944 -0.647 -7.982) 13.562 9.394 ( 4.653 -4.022 -0.065) 6.151 9.628 ( -8.209 4.640 -0.204) 9.432 10.026 ( 3.871 2.208 2.391) 5.057 10.478 ( -3.833 -1.959 -4.008) 5.882 10.643 ( -2.271 -0.647 2.363) 3.341 10.682 ( 3.045 7.948 -2.487) 8.867 11.242 ( -5.511 11.219 -0.497) 12.509 11.297 ( -2.938 -2.540 4.055) 5.615 11.619 ( -7.672 3.275 5.446) 9.962 11.713 ( -2.048 -3.542 -7.375) 8.434 12.116 ( 5.219 12.367 4.601) 14.189 12.312 ( 2.834 -16.471 5.128) 17.482 13.149 ( 11.899 -13.373 -3.404) 18.221 13.821 ( -15.432 13.478 2.792) 20.678 14.349 ( -3.975 -1.540 -1.052) 4.391 14.803 ( 7.407 6.336 -11.193) 14.842 15.547 ( 12.738 -17.370 7.502) 22.809 ======================= Grid point 126 (81/156) ======================= q-point: ( 0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 1.564 6.336 0.000) 6.527 2.684 ( -2.889 8.880 -0.000) 9.338 3.319 ( 0.937 4.512 0.000) 4.608 3.695 ( 7.436 -12.550 0.000) 14.587 3.769 ( -8.087 -16.794 -0.000) 18.640 4.585 ( 3.908 9.097 0.000) 9.901 4.610 ( 10.606 6.492 0.000) 12.435 4.679 ( -8.914 -4.498 -0.000) 9.984 5.194 ( -8.981 -1.696 -0.000) 9.140 5.631 ( -4.167 8.256 -0.000) 9.248 6.169 ( 1.410 3.392 0.000) 3.673 6.306 ( -4.228 -2.130 -0.000) 4.734 6.479 ( -1.629 -2.350 -0.000) 2.859 6.529 ( -1.511 1.942 -0.000) 2.461 7.751 ( 3.454 -10.127 0.000) 10.700 8.384 ( -11.037 -7.586 -0.000) 13.393 8.514 ( 16.179 -0.356 0.000) 16.183 8.944 ( 1.384 4.711 0.000) 4.910 9.168 ( 7.367 4.290 0.000) 8.525 9.629 ( -6.354 -0.739 -0.000) 6.397 9.631 ( -10.829 6.950 -0.000) 12.868 10.013 ( -8.985 1.389 -0.000) 9.091 10.476 ( 9.399 -3.505 0.000) 10.031 10.516 ( 11.874 1.332 0.000) 11.948 10.782 ( 7.149 13.468 0.000) 15.248 10.834 ( 5.867 4.579 0.000) 7.442 11.311 ( 3.727 -5.334 0.000) 6.507 11.511 ( 4.922 -15.634 0.000) 16.390 11.762 ( -1.965 1.584 -0.000) 2.524 11.943 ( -8.241 4.046 -0.000) 9.180 12.715 ( -8.666 -21.084 -0.000) 22.795 13.086 ( -0.433 3.858 -0.000) 3.882 13.781 ( 5.302 -1.100 0.000) 5.415 13.938 ( 12.410 13.788 0.000) 18.550 14.931 ( -3.178 18.690 -0.000) 18.958 15.939 ( -24.273 -17.032 -0.000) 29.653 ======================= Grid point 127 (82/156) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -3.009 -3.702 -0.581) 4.806 2.521 ( 3.009 3.702 -0.581) 4.806 3.495 ( -4.610 -12.361 4.429) 13.916 3.495 ( 4.610 12.361 4.429) 13.916 4.132 ( -9.825 2.573 4.654) 11.172 4.132 ( 9.825 -2.573 4.654) 11.172 4.728 ( 0.537 -2.039 -5.371) 5.770 4.728 ( -0.537 2.039 -5.371) 5.770 5.377 ( -9.323 -3.241 -0.503) 9.883 5.377 ( 9.323 3.241 -0.503) 9.883 6.132 ( -3.401 -3.422 -4.463) 6.572 6.132 ( 3.401 3.422 -4.463) 6.572 6.555 ( -3.135 -2.141 5.722) 6.866 6.555 ( 3.135 2.141 5.722) 6.866 7.991 ( -6.149 1.030 -0.291) 6.242 7.991 ( 6.149 -1.030 -0.291) 6.242 8.894 ( -4.196 -4.992 -7.976) 10.303 8.894 ( 4.196 4.992 -7.976) 10.303 9.257 ( -4.600 -0.325 -3.063) 5.536 9.257 ( 4.600 0.325 -3.063) 5.536 9.735 ( -9.725 -0.355 10.054) 13.992 9.735 ( 9.725 0.355 10.054) 13.992 10.637 ( -2.553 -1.000 -4.140) 4.966 10.637 ( 2.553 1.000 -4.140) 4.966 10.977 ( -1.407 -16.834 -3.199) 17.193 10.977 ( 1.407 16.834 -3.199) 17.193 11.530 ( -5.600 -13.639 9.939) 17.781 11.530 ( 5.600 13.639 9.939) 17.781 11.927 ( -7.133 -9.552 -1.236) 11.985 11.927 ( 7.133 9.552 -1.236) 11.985 12.576 ( 9.435 -23.903 -3.270) 25.905 12.576 ( -9.435 23.903 -3.270) 25.905 14.241 ( 6.738 -8.396 3.085) 11.198 14.241 ( -6.738 8.396 3.085) 11.198 15.023 ( -15.986 -24.934 -2.334) 29.711 15.023 ( 15.986 24.934 -2.334) 29.711 ======================= Grid point 129 (83/156) ======================= q-point: ( 0.10 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -1.683 -0.191 0.165) 1.702 2.678 ( -0.424 -5.089 -2.130) 5.533 3.320 ( -6.557 2.463 -9.219) 11.578 3.686 ( -2.317 3.039 5.561) 6.748 4.134 ( -3.579 6.592 11.528) 13.753 4.372 ( 7.271 -7.010 -4.123) 10.909 4.488 ( 4.780 -0.344 -2.618) 5.460 4.982 ( 9.634 0.873 -0.957) 9.721 5.093 ( -3.802 -3.382 6.203) 8.023 5.668 ( 6.464 3.891 1.961) 7.796 5.944 ( -1.292 -4.146 -5.427) 6.951 6.308 ( 4.512 -0.679 2.232) 5.079 6.455 ( -3.710 -0.517 0.083) 3.747 6.714 ( 0.054 3.301 -1.848) 3.784 7.826 ( -0.292 -0.082 6.492) 6.499 8.314 ( 9.192 6.967 -5.124) 12.621 8.585 ( -2.581 -3.963 -2.638) 5.415 8.781 ( -9.123 2.467 4.891) 10.641 9.253 ( 2.880 -11.809 -4.550) 12.979 9.402 ( 4.704 5.360 0.833) 7.180 9.578 ( 0.849 0.366 -3.239) 3.369 10.068 ( -0.580 -1.115 -5.803) 5.937 10.319 ( -8.152 1.163 1.183) 8.319 10.568 ( -7.406 1.170 1.000) 7.564 10.782 ( -2.097 -3.740 -2.357) 4.893 11.095 ( -5.279 -8.835 6.227) 12.029 11.149 ( -11.150 7.113 -5.258) 14.233 11.607 ( -1.472 0.490 7.115) 7.282 11.735 ( -6.720 4.565 -2.879) 8.619 11.965 ( 11.993 -3.129 1.548) 12.491 12.726 ( 12.460 8.719 -0.394) 15.212 13.259 ( 13.309 -1.637 5.243) 14.397 13.741 ( -19.580 8.769 2.642) 21.616 13.941 ( -9.681 -11.888 -1.672) 15.422 14.893 ( 3.928 -7.851 -4.521) 9.874 15.890 ( 23.531 6.527 -0.034) 24.420 ======================= Grid point 131 (84/156) ======================= q-point: ( 0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 19.872 8.929 3.883) 22.129 2.406 ( 2.319 7.226 -1.097) 7.667 3.326 ( 3.688 -3.843 10.874) 12.109 3.545 ( -1.010 -4.724 -7.114) 8.599 3.963 ( -1.940 -8.152 -8.507) 11.941 4.476 ( 0.239 -3.074 -13.368) 13.719 4.751 ( -5.432 3.152 3.936) 7.412 4.970 ( -14.939 6.227 -3.278) 16.513 5.528 ( -0.349 -4.539 8.878) 9.977 5.672 ( 0.607 11.386 1.211) 11.467 6.003 ( 3.782 2.889 1.366) 4.951 6.392 ( -3.253 2.755 5.138) 6.676 6.618 ( -6.187 -4.998 4.147) 8.970 6.792 ( -4.797 -2.605 -3.472) 6.469 7.763 ( -3.110 -4.043 -2.238) 5.570 8.128 ( 7.409 -3.353 -11.948) 14.453 8.667 ( -0.010 -3.815 5.085) 6.357 8.715 ( 0.714 2.234 5.265) 5.763 9.024 ( 1.579 2.748 -4.061) 5.151 9.625 ( 14.391 -6.413 5.771) 16.779 9.815 ( 1.241 -0.895 -2.425) 2.867 9.917 ( -5.362 5.772 -1.396) 8.001 10.208 ( 2.590 -0.412 2.357) 3.526 10.320 ( -2.998 1.662 3.868) 5.168 10.617 ( 3.386 9.230 1.550) 9.953 10.750 ( 2.778 3.180 -0.677) 4.277 11.154 ( 12.361 -3.763 -8.952) 15.719 11.447 ( -7.999 0.505 6.031) 10.030 11.705 ( 2.275 -5.700 3.026) 6.843 12.399 ( -9.152 -4.868 -2.285) 10.615 12.827 ( 5.502 -3.287 -4.036) 7.574 13.099 ( -10.589 -1.911 -1.853) 10.918 13.660 ( 1.411 6.240 2.736) 6.958 13.777 ( 1.701 6.809 -1.907) 7.272 14.921 ( 4.564 9.114 -1.479) 10.300 16.658 ( -11.620 -10.925 3.274) 16.282 ======================= Grid point 132 (85/156) ======================= q-point: ( 0.10 -0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -9.719 0.245 -0.000) 9.722 2.620 ( 0.582 5.064 -0.000) 5.098 3.256 ( -6.646 -18.017 -0.000) 19.203 3.470 ( 7.030 2.774 0.000) 7.558 3.735 ( 14.589 -4.073 0.000) 15.147 4.333 ( -11.269 -5.813 -0.000) 12.680 4.827 ( 1.828 7.848 0.000) 8.058 4.837 ( -0.002 6.919 -0.000) 6.919 5.338 ( 7.588 10.530 0.000) 12.979 5.647 ( -9.819 6.660 -0.000) 11.865 6.174 ( -4.422 -3.132 -0.000) 5.419 6.210 ( 1.067 0.738 0.000) 1.297 6.477 ( 0.872 1.787 0.000) 1.989 6.508 ( -1.824 -0.989 -0.000) 2.075 7.735 ( 9.192 -3.555 0.000) 9.856 8.083 ( -4.170 -5.268 -0.000) 6.719 8.814 ( 16.090 -1.509 0.000) 16.161 8.954 ( -0.655 -3.287 0.000) 3.351 9.394 ( 6.105 4.269 0.000) 7.449 9.470 ( -13.757 1.202 -0.000) 13.809 9.520 ( -6.640 1.940 -0.000) 6.918 9.850 ( -11.035 1.857 -0.000) 11.190 10.528 ( 4.843 -4.759 0.000) 6.790 10.599 ( 1.475 -1.889 0.000) 2.397 10.941 ( -1.827 -4.130 -0.000) 4.516 11.028 ( -8.321 -22.013 -0.000) 23.534 11.307 ( 22.922 8.015 0.000) 24.283 11.392 ( 6.612 5.014 0.000) 8.298 12.033 ( 0.757 -5.483 0.000) 5.535 12.033 ( 8.817 15.300 0.000) 17.658 12.066 ( -16.681 -6.300 -0.000) 17.830 13.207 ( -0.288 10.099 -0.000) 10.103 13.818 ( 5.688 -6.090 0.000) 8.333 14.308 ( 5.472 3.831 0.000) 6.680 15.077 ( -27.688 -18.488 -0.000) 33.293 15.374 ( 5.343 25.131 0.000) 25.693 ======================= Grid point 137 (86/156) ======================= q-point: ( 0.10 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 5.014 0.635 7.017) 8.647 2.790 ( 11.298 6.183 4.966) 13.803 3.273 ( 3.669 -10.631 -6.990) 13.241 3.401 ( -1.336 -2.045 4.853) 5.433 3.629 ( -5.772 -17.412 -10.803) 21.288 4.529 ( 1.994 3.882 0.202) 4.369 4.785 ( -10.906 3.962 -3.770) 12.201 4.901 ( 7.025 5.810 -11.033) 14.312 5.263 ( -10.145 -4.716 9.088) 14.414 5.866 ( -3.787 9.305 9.548) 13.860 6.081 ( 3.078 -1.858 4.422) 5.699 6.380 ( -2.242 3.561 -1.396) 4.433 6.459 ( -2.855 0.019 2.261) 3.642 6.671 ( -3.415 -2.160 -3.715) 5.489 7.644 ( -2.095 -2.033 -7.212) 7.780 8.124 ( 6.589 -14.097 -5.319) 16.445 8.531 ( -2.222 -0.276 -2.436) 3.308 8.821 ( 3.637 -0.635 7.787) 8.618 9.123 ( 4.913 0.336 -1.506) 5.149 9.628 ( 0.702 -4.247 4.353) 6.122 9.901 ( -7.506 4.277 1.694) 8.804 10.046 ( 11.188 1.514 0.467) 11.300 10.247 ( -0.180 2.257 5.898) 6.318 10.356 ( 5.254 1.835 2.433) 6.074 10.811 ( 6.323 -4.343 1.744) 7.867 10.890 ( -0.761 9.241 -2.980) 9.739 11.265 ( 0.786 2.394 -11.122) 11.403 11.389 ( -1.016 0.763 1.480) 1.951 11.705 ( 4.066 2.894 5.179) 7.193 12.176 ( -8.227 -0.028 -0.600) 8.249 12.666 ( -8.272 -6.730 -6.762) 12.627 12.937 ( 3.487 -5.997 -3.106) 7.600 13.822 ( -0.950 6.440 5.766) 8.696 14.033 ( 6.169 10.677 -0.805) 12.357 15.180 ( 3.252 9.409 5.271) 11.264 16.112 ( -19.978 -11.333 -3.542) 23.240 ======================= Grid point 138 (87/156) ======================= q-point: ( 0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -7.607 -2.090 -0.000) 7.889 2.472 ( -7.415 -16.812 -0.000) 18.375 3.022 ( -0.248 2.431 -0.000) 2.443 3.670 ( 10.357 -0.940 0.000) 10.400 4.069 ( 17.509 3.384 0.000) 17.833 4.096 ( -3.024 -4.335 -0.000) 5.285 4.921 ( -7.965 8.266 -0.000) 11.479 4.955 ( -1.320 7.259 -0.000) 7.378 5.526 ( -9.389 2.361 -0.000) 9.681 5.691 ( 1.913 13.303 -0.000) 13.439 6.031 ( -3.150 -1.942 -0.000) 3.700 6.286 ( 1.736 3.836 0.000) 4.210 6.422 ( -0.386 -5.658 0.000) 5.672 6.549 ( -0.898 5.273 -0.000) 5.349 7.926 ( 12.235 -1.016 0.000) 12.277 8.032 ( 3.028 -0.380 0.000) 3.052 8.853 ( -1.402 -3.995 -0.000) 4.234 9.066 ( 13.284 -3.505 0.000) 13.739 9.194 ( -10.614 -1.904 -0.000) 10.783 9.381 ( -10.589 -0.633 -0.000) 10.608 9.559 ( 5.074 1.715 0.000) 5.356 9.686 ( -9.118 3.584 -0.000) 9.797 10.367 ( -4.502 -16.942 -0.000) 17.530 10.512 ( 3.059 -3.913 0.000) 4.967 10.704 ( 1.181 -2.989 0.000) 3.214 10.793 ( -5.471 -1.801 -0.000) 5.760 11.394 ( -8.154 -21.325 -0.000) 22.831 11.589 ( 7.063 0.949 0.000) 7.126 11.859 ( 22.318 -2.616 0.000) 22.471 12.235 ( -6.469 21.978 -0.000) 22.910 12.446 ( -0.361 13.563 -0.000) 13.568 13.498 ( 4.004 15.500 0.000) 16.009 13.751 ( 9.001 -17.530 0.000) 19.706 14.231 ( -27.424 -8.600 -0.000) 28.741 14.321 ( -2.559 -3.914 -0.000) 4.676 16.032 ( 11.061 23.623 0.000) 26.085 ======================= Grid point 141 (88/156) ======================= q-point: ( 0.10 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 12.176 -4.466 16.518) 21.001 2.366 ( 4.563 -8.821 17.482) 20.106 3.144 ( 6.914 -2.409 -14.803) 16.515 3.528 ( -7.727 0.389 4.601) 9.002 3.690 ( -1.319 -13.540 -17.005) 21.777 4.486 ( -4.131 -3.046 7.885) 9.408 5.019 ( 9.765 1.031 -8.509) 12.993 5.084 ( -5.925 -4.690 2.978) 8.123 5.218 ( -9.447 0.782 -2.196) 9.731 5.623 ( 5.246 -6.350 12.498) 14.969 5.873 ( 3.845 -6.886 2.559) 8.291 6.478 ( -1.290 2.904 2.123) 3.821 6.581 ( -4.229 5.343 -2.081) 7.125 6.745 ( -0.947 4.943 -0.867) 5.107 7.778 ( 6.719 -8.402 -3.458) 11.300 8.046 ( -7.273 -1.901 -13.817) 15.730 8.569 ( 3.331 0.515 -1.972) 3.905 8.622 ( -1.967 -1.496 3.242) 4.076 9.133 ( 2.223 -6.836 -6.992) 10.028 9.361 ( 2.524 4.116 5.739) 7.500 9.940 ( -5.598 1.038 -0.170) 5.695 10.020 ( 3.451 -6.261 0.507) 7.167 10.231 ( 0.383 1.289 2.302) 2.666 10.308 ( 3.649 6.288 1.797) 7.489 10.544 ( 4.364 -3.875 3.953) 7.049 10.981 ( 6.930 6.345 0.071) 9.397 11.432 ( -2.217 11.036 2.195) 11.469 11.606 ( -1.407 2.923 -7.217) 7.913 11.723 ( 1.048 11.585 3.772) 12.229 12.266 ( -7.776 -6.316 0.396) 10.025 12.879 ( -2.186 6.645 -3.733) 7.929 13.043 ( -14.395 1.064 0.150) 14.435 13.756 ( 5.424 -0.052 3.827) 6.638 14.061 ( 5.923 6.693 3.040) 9.440 14.976 ( 3.244 -2.597 14.060) 14.662 16.397 ( -7.783 -6.051 -14.132) 17.231 ======================= Grid point 142 (89/156) ======================= q-point: ( 0.10 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 4.235 0.634 7.951) 9.031 2.763 ( -7.902 -6.767 6.185) 12.103 3.151 ( -6.636 -14.594 -12.712) 20.460 3.323 ( 15.936 -5.110 -10.268) 19.635 3.470 ( 5.880 3.974 3.092) 7.741 4.420 ( -9.114 -8.081 -8.060) 14.606 4.806 ( 3.243 9.451 10.330) 14.372 5.104 ( 0.686 7.606 -1.211) 7.732 5.319 ( 7.209 7.064 6.017) 11.750 5.831 ( -6.889 1.061 6.214) 9.338 6.110 ( 1.708 -1.922 4.029) 4.780 6.415 ( -4.099 5.336 -8.308) 10.691 6.484 ( 0.901 1.692 0.821) 2.086 6.561 ( -3.857 0.023 -1.651) 4.195 7.621 ( 2.012 -0.198 -4.945) 5.342 7.970 ( 3.941 -6.994 -1.980) 8.268 8.585 ( 7.544 -1.493 -4.686) 9.005 8.797 ( 2.049 -6.681 2.242) 7.339 9.211 ( 2.831 -0.068 6.940) 7.495 9.577 ( -0.881 -2.306 0.235) 2.480 9.780 ( -8.155 1.278 2.016) 8.497 10.066 ( -5.292 1.508 2.685) 6.123 10.329 ( 6.231 -5.176 3.366) 8.773 10.537 ( 8.475 -4.180 1.119) 9.516 10.682 ( -5.725 -6.025 2.440) 8.661 10.960 ( -3.870 2.511 -6.467) 7.944 11.270 ( -1.759 -3.762 -9.906) 10.741 11.343 ( 0.877 -0.024 2.003) 2.187 11.963 ( -6.498 -5.472 -2.719) 8.920 12.095 ( 6.099 18.628 8.156) 21.230 12.573 ( -5.320 14.671 -4.665) 16.288 12.980 ( 12.755 -5.924 -3.920) 14.600 13.841 ( -5.337 1.710 6.409) 8.514 14.269 ( 3.957 -0.446 -1.704) 4.331 15.167 ( -16.372 -6.825 13.026) 22.006 15.804 ( -0.710 12.960 -11.137) 17.102 ======================= Grid point 143 (90/156) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -9.932 -23.728 -0.000) 25.723 2.194 ( -11.540 -4.260 -0.000) 12.301 3.077 ( -7.974 6.905 -0.000) 10.548 3.804 ( 9.988 -4.710 0.000) 11.043 4.025 ( 2.352 -2.963 0.000) 3.783 4.433 ( 11.916 5.345 0.000) 13.060 4.826 ( -16.159 7.098 -0.000) 17.649 5.060 ( -4.815 4.521 -0.000) 6.605 5.556 ( 8.591 5.470 0.000) 10.184 5.717 ( -6.979 -1.815 -0.000) 7.211 6.009 ( -6.674 -5.725 -0.000) 8.793 6.347 ( 3.022 2.998 0.000) 4.257 6.355 ( -1.769 1.918 -0.000) 2.609 6.656 ( -2.670 9.561 -0.000) 9.927 8.062 ( 6.820 -5.635 0.000) 8.847 8.077 ( 0.489 -1.610 0.000) 1.683 8.715 ( -5.868 -2.070 -0.000) 6.222 9.037 ( -5.331 7.319 -0.000) 9.055 9.204 ( -0.213 -4.031 0.000) 4.037 9.234 ( 14.404 -9.786 0.000) 17.414 9.672 ( 5.071 0.225 0.000) 5.076 9.726 ( -4.033 15.628 -0.000) 16.140 10.091 ( 1.188 -8.197 0.000) 8.282 10.521 ( 4.327 -2.342 0.000) 4.920 10.645 ( -4.315 -2.643 -0.000) 5.060 10.663 ( -6.181 -0.005 -0.000) 6.181 10.937 ( 1.058 -16.437 0.000) 16.471 11.706 ( 3.977 -0.273 0.000) 3.987 12.106 ( 16.494 -6.430 0.000) 17.703 12.483 ( -12.707 3.655 -0.000) 13.222 12.631 ( -1.641 22.163 -0.000) 22.224 13.309 ( -7.215 -18.224 -0.000) 19.601 13.836 ( 10.060 -5.883 0.000) 11.654 14.009 ( -6.611 19.546 -0.000) 20.634 14.100 ( -5.640 -9.765 -0.000) 11.277 16.649 ( 10.414 17.300 0.000) 20.193 ======================= Grid point 146 (91/156) ======================= q-point: ( 0.10 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 9.312 -6.449 16.886) 20.333 2.269 ( 9.903 -12.952 17.339) 23.801 3.233 ( 10.507 -0.841 -13.912) 17.455 3.358 ( -5.410 -11.931 -19.940) 23.859 3.508 ( -2.798 6.919 12.032) 14.159 4.492 ( 4.279 2.407 6.050) 7.791 4.806 ( -9.112 -3.211 -5.732) 11.234 5.076 ( -0.470 -1.276 1.737) 2.205 5.254 ( 5.116 3.655 2.485) 6.761 5.606 ( 7.467 -7.429 5.698) 11.975 5.864 ( 7.206 -7.365 6.186) 12.018 6.604 ( -5.878 5.213 -0.326) 7.864 6.647 ( 6.141 8.044 -5.486) 11.512 6.729 ( -6.527 1.587 0.257) 6.722 7.636 ( -0.413 -11.312 -4.309) 12.112 8.049 ( -0.709 9.787 -14.046) 17.134 8.506 ( -1.068 -3.397 2.510) 4.356 8.687 ( 3.939 0.642 -4.303) 5.868 9.047 ( 3.855 -7.133 -2.871) 8.602 9.531 ( 6.160 4.773 4.621) 9.060 9.707 ( -8.024 -6.504 2.135) 10.547 10.005 ( 3.267 -2.928 4.280) 6.129 10.249 ( 0.774 -0.333 -2.885) 3.005 10.425 ( -1.058 -1.413 -0.493) 1.832 10.592 ( 2.602 2.798 4.882) 6.200 11.113 ( -2.462 -4.617 -4.844) 7.131 11.376 ( -10.165 1.006 7.916) 12.923 11.524 ( -5.238 0.670 -11.307) 12.479 12.105 ( -3.469 0.704 -3.690) 5.113 12.181 ( 7.512 17.848 10.334) 21.950 12.811 ( -7.637 4.936 0.660) 9.117 13.101 ( -2.205 14.831 -2.605) 15.218 13.746 ( -0.918 -5.777 5.119) 7.773 14.172 ( 0.105 -4.603 1.769) 4.932 14.936 ( -1.067 -3.246 18.455) 18.768 16.252 ( 0.359 2.137 -18.268) 18.396 ======================= Grid point 147 (92/156) ======================= q-point: ( 0.10 0.70 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -7.738 -16.191 -1.331) 17.995 2.571 ( -7.121 -2.956 -0.770) 7.748 3.016 ( 5.916 1.716 1.078) 6.253 3.478 ( 7.027 -2.479 -3.943) 8.431 3.817 ( 16.557 4.649 -1.874) 17.299 4.193 ( -1.069 -1.934 -14.635) 14.801 5.000 ( -3.489 9.357 11.227) 15.026 5.269 ( -0.316 3.798 7.416) 8.338 5.487 ( -1.210 2.432 3.358) 4.320 5.826 ( 4.623 3.844 3.397) 6.906 5.999 ( -3.916 -6.652 4.210) 8.793 6.381 ( -5.472 3.770 -1.751) 6.872 6.515 ( -1.614 3.829 -8.506) 9.467 6.627 ( 1.138 5.909 5.472) 8.134 7.732 ( 9.343 -0.025 -0.933) 9.390 8.029 ( 5.045 1.019 -9.398) 10.715 8.697 ( 5.062 -6.685 2.450) 8.736 8.709 ( 6.512 -3.742 -1.547) 7.668 9.196 ( -2.143 -2.119 8.364) 8.891 9.432 ( -5.720 -4.230 -1.052) 7.192 9.747 ( -2.309 3.559 -4.171) 5.949 9.985 ( -9.581 6.103 1.192) 11.422 10.186 ( -3.461 -13.580 -2.977) 14.326 10.363 ( 1.605 -3.772 3.665) 5.499 10.647 ( -0.199 -2.235 0.911) 2.422 10.874 ( -1.930 -4.237 -2.673) 5.368 11.095 ( -2.011 -9.279 -5.354) 10.900 11.442 ( 4.240 3.302 6.521) 8.450 11.765 ( -5.038 0.510 -5.366) 7.378 12.559 ( 1.165 17.195 7.861) 18.942 12.825 ( 1.761 10.222 -2.356) 10.637 13.154 ( 10.268 -5.780 -4.723) 12.694 13.703 ( -4.737 -1.574 4.606) 6.792 14.116 ( -5.026 -11.163 5.157) 13.285 14.745 ( -14.820 1.639 -4.559) 15.592 16.242 ( 8.740 17.053 -0.971) 19.187 ======================= Grid point 148 (93/156) ======================= q-point: ( 0.10 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -13.969 -15.942 -0.000) 21.197 1.757 ( -22.107 -6.384 -0.000) 23.010 2.849 ( -26.813 1.365 -0.000) 26.848 3.957 ( 12.409 -0.907 0.000) 12.442 4.053 ( 5.305 -2.064 0.000) 5.693 4.631 ( -18.185 8.380 -0.000) 20.022 4.765 ( 6.617 4.508 0.000) 8.006 4.983 ( -1.683 2.053 -0.000) 2.655 5.468 ( -7.144 -17.372 -0.000) 18.784 5.552 ( -11.865 -5.097 -0.000) 12.914 5.833 ( 7.964 -1.145 0.000) 8.046 6.336 ( -1.710 1.333 -0.000) 2.168 6.570 ( 6.362 6.649 0.000) 9.203 6.787 ( -2.956 8.970 -0.000) 9.445 7.957 ( -6.867 -2.969 -0.000) 7.482 7.966 ( -3.604 -5.118 -0.000) 6.260 8.689 ( 2.225 2.485 0.000) 3.335 9.121 ( 1.374 -7.090 0.000) 7.222 9.142 ( 9.408 -7.535 0.000) 12.054 9.412 ( 5.062 13.348 0.000) 14.276 9.800 ( 10.104 0.197 0.000) 10.106 9.923 ( -1.441 0.077 -0.000) 1.443 10.109 ( -5.020 6.850 -0.000) 8.492 10.519 ( 0.508 -5.531 0.000) 5.554 10.563 ( 1.919 11.609 -0.000) 11.766 10.609 ( 1.008 1.753 0.000) 2.023 10.822 ( 11.381 -9.903 0.000) 15.087 11.686 ( -2.507 -5.342 -0.000) 5.901 12.167 ( -19.452 0.166 -0.000) 19.453 12.319 ( 15.537 -4.016 0.000) 16.048 12.929 ( -4.341 13.456 -0.000) 14.139 13.020 ( 1.771 -5.764 0.000) 6.030 13.757 ( -5.574 -13.197 -0.000) 14.326 13.872 ( 6.823 -4.585 0.000) 8.221 14.258 ( -3.675 11.466 -0.000) 12.041 17.083 ( 7.432 9.424 0.000) 12.002 ======================= Grid point 150 (94/156) ======================= q-point: ( 0.10 0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 11.964 -8.975 23.603) 27.943 1.407 ( 11.499 -12.330 23.570) 28.980 2.652 ( 11.472 -11.883 46.669) 49.506 3.536 ( 2.845 2.305 -17.840) 18.212 3.633 ( -0.038 -7.511 -21.882) 23.135 4.530 ( -1.514 3.288 5.064) 6.225 4.852 ( -2.394 2.935 9.612) 10.332 5.081 ( 6.278 -7.425 -0.679) 9.747 5.255 ( -1.208 1.537 -2.928) 3.520 5.353 ( 6.279 -1.580 -2.318) 6.877 5.458 ( 0.213 -7.849 -10.404) 13.034 6.632 ( 3.926 2.472 5.644) 7.306 6.833 ( -1.065 -1.130 -3.612) 3.932 6.888 ( -5.586 5.603 -3.611) 8.697 7.607 ( -4.718 3.055 0.230) 5.626 8.268 ( -1.085 1.947 11.806) 12.015 8.688 ( -2.740 -1.243 -9.760) 10.213 8.874 ( 5.961 5.318 -18.603) 20.245 8.903 ( -2.557 -1.245 -7.157) 7.702 9.449 ( 1.292 -7.839 -4.563) 9.162 9.584 ( 8.091 -7.362 -4.287) 11.749 9.981 ( -9.182 5.450 8.511) 13.654 10.233 ( 6.231 -0.996 5.011) 8.057 10.329 ( -0.981 1.294 -2.562) 3.034 10.715 ( -3.075 7.140 -1.641) 7.945 11.089 ( -1.301 -6.436 -0.885) 6.625 11.331 ( 2.218 -4.184 2.374) 5.298 11.761 ( 0.418 -0.682 9.756) 9.788 12.151 ( -2.067 7.063 -10.776) 13.049 12.425 ( -14.641 17.805 9.603) 24.972 13.022 ( -5.874 7.462 8.811) 12.955 13.510 ( 1.912 2.178 5.584) 6.291 13.533 ( -11.498 7.236 3.787) 14.103 14.074 ( -2.613 -3.498 1.867) 4.749 14.442 ( 7.799 -6.192 15.150) 18.130 16.471 ( 11.323 -10.648 -22.791) 27.587 ======================= Grid point 151 (95/156) ======================= q-point: ( 0.10 0.50 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 3.709 -13.551 11.198) 17.966 2.360 ( 8.659 -2.548 16.423) 18.740 3.087 ( -4.226 -4.427 -16.845) 17.922 3.516 ( 9.012 4.466 -13.201) 16.596 3.683 ( 9.769 4.282 5.672) 12.080 4.595 ( -1.082 6.224 -17.757) 18.847 4.729 ( 3.891 -3.001 16.100) 16.833 5.100 ( 0.565 3.049 7.738) 8.336 5.412 ( 5.032 1.377 10.696) 11.900 5.696 ( 9.401 1.653 -1.935) 9.740 5.781 ( 2.412 -11.068 6.896) 13.262 6.539 ( -5.071 0.544 2.667) 5.755 6.636 ( -5.461 2.293 -1.264) 6.056 6.828 ( -1.669 0.220 -9.392) 9.542 7.574 ( 9.170 0.694 -2.687) 9.580 8.207 ( 0.780 2.795 -12.028) 12.373 8.439 ( 0.599 -1.794 7.773) 8.000 8.734 ( 0.789 -1.168 -9.615) 9.718 9.042 ( 3.620 -0.774 2.598) 4.522 9.478 ( -4.182 -4.638 -1.388) 6.397 9.770 ( 8.482 4.474 -1.218) 9.667 10.038 ( 0.866 1.110 4.427) 4.645 10.234 ( -6.810 1.536 1.300) 7.101 10.299 ( -2.086 -2.463 -3.059) 4.447 10.632 ( 2.135 -13.492 2.360) 13.862 10.728 ( -10.917 2.803 1.404) 11.358 11.362 ( -5.848 4.881 1.442) 7.753 11.439 ( -6.192 3.314 -6.856) 9.814 11.986 ( -7.930 -2.774 -0.526) 8.418 12.515 ( 9.610 -2.050 1.880) 10.004 12.860 ( -7.692 9.248 5.060) 13.050 13.293 ( -2.654 5.599 1.744) 6.437 13.609 ( 0.029 -1.340 5.078) 5.252 13.951 ( -4.528 -7.773 0.408) 9.005 14.885 ( -0.672 0.822 9.324) 9.384 16.441 ( 6.564 6.070 -12.610) 15.458 ======================= Grid point 152 (96/156) ======================= q-point: ( 0.10 -0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -12.117 -8.428 -4.579) 15.454 2.399 ( -7.413 -1.036 -3.430) 8.234 3.204 ( 6.006 3.148 7.718) 10.274 3.531 ( 2.895 -1.133 -4.110) 5.153 4.055 ( 6.341 -1.576 -7.401) 9.872 4.362 ( 10.371 4.505 -14.919) 18.720 5.018 ( -6.924 -0.523 15.388) 16.882 5.236 ( -1.597 4.077 7.314) 8.524 5.534 ( -5.384 7.134 -4.081) 9.825 5.714 ( -3.653 -15.821 0.672) 16.252 5.897 ( -2.214 0.106 1.095) 2.473 6.466 ( -5.465 2.914 4.984) 7.949 6.533 ( 1.792 7.510 -0.123) 7.721 6.792 ( 1.435 7.021 5.186) 8.846 7.884 ( 6.356 -3.101 -5.127) 8.735 8.110 ( 3.066 -1.101 -8.929) 9.505 8.677 ( -0.764 0.022 3.463) 3.546 8.728 ( 6.897 -7.466 6.787) 12.221 9.177 ( -6.228 -4.429 -3.623) 8.458 9.184 ( 3.455 1.042 0.327) 3.623 9.780 ( -0.825 3.491 -5.624) 6.671 10.010 ( -0.863 -2.041 -2.588) 3.407 10.080 ( -1.274 14.309 2.458) 14.574 10.356 ( 1.744 -0.594 2.934) 3.465 10.507 ( 1.424 -10.651 2.166) 10.961 10.769 ( -2.534 -2.246 -1.395) 3.662 10.893 ( -7.014 -1.477 -8.235) 10.917 11.584 ( 6.759 -0.408 6.780) 9.582 11.762 ( 2.694 -0.358 -0.227) 2.727 12.675 ( -9.011 0.197 4.805) 10.214 12.896 ( 7.662 -13.772 -0.610) 15.771 13.151 ( -5.043 13.302 -1.407) 14.295 13.734 ( 1.743 1.401 -0.381) 2.268 13.810 ( -2.891 -11.435 5.183) 12.884 14.632 ( -8.368 8.227 -10.027) 15.435 16.691 ( 8.975 9.997 3.803) 13.962 ======================= Grid point 153 (97/156) ======================= q-point: ( 0.15 -0.15 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -18.299 14.300 -0.000) 23.224 1.701 ( -25.136 0.895 -0.000) 25.152 2.842 ( -31.946 -2.184 -0.000) 32.021 3.980 ( 13.174 3.365 0.000) 13.597 4.008 ( 6.985 -2.263 0.000) 7.342 4.687 ( -17.154 -9.080 -0.000) 19.409 4.768 ( -0.352 -3.722 0.000) 3.739 5.021 ( 7.905 0.774 0.000) 7.943 5.187 ( -4.612 -1.193 -0.000) 4.764 5.564 ( -12.659 3.562 -0.000) 13.150 5.791 ( 3.457 -1.868 0.000) 3.929 6.362 ( -2.615 1.186 -0.000) 2.871 6.660 ( 5.559 2.251 0.000) 5.998 6.915 ( -2.217 2.721 -0.000) 3.510 7.894 ( -3.154 -1.801 -0.000) 3.632 7.932 ( -8.037 0.460 -0.000) 8.050 8.791 ( 3.132 7.743 0.000) 8.353 8.892 ( 13.175 -13.267 0.000) 18.697 8.996 ( -0.486 -5.170 0.000) 5.193 9.725 ( -2.951 9.394 -0.000) 9.847 9.808 ( -3.054 -8.070 -0.000) 8.628 9.890 ( 18.267 13.301 0.000) 22.597 10.175 ( -9.454 0.663 -0.000) 9.477 10.397 ( -0.806 -6.584 0.000) 6.633 10.593 ( 12.290 -9.374 0.000) 15.457 10.640 ( 0.541 1.917 0.000) 1.992 11.018 ( 8.767 23.841 0.000) 25.402 11.498 ( -5.267 -12.221 -0.000) 13.307 12.252 ( 15.438 -1.999 0.000) 15.567 12.268 ( -19.408 8.689 -0.000) 21.264 12.888 ( 9.066 -7.576 0.000) 11.814 13.110 ( -7.455 2.688 -0.000) 7.924 13.512 ( -3.070 -8.403 -0.000) 8.946 13.807 ( 6.495 -2.407 0.000) 6.927 14.435 ( -7.560 6.405 -0.000) 9.908 17.188 ( 7.044 0.658 0.000) 7.074 ======================= Grid point 155 (98/156) ======================= q-point: ( 0.15 0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 5.581 -0.468 27.450) 28.016 1.338 ( 16.652 -0.233 25.387) 30.362 2.540 ( 15.662 0.183 52.816) 55.090 3.534 ( -0.453 -2.536 -19.994) 20.159 3.594 ( 6.080 3.214 -19.955) 21.107 4.554 ( -2.425 -0.540 8.518) 8.873 4.901 ( 0.445 -0.689 9.016) 9.053 4.984 ( 6.667 0.876 3.556) 7.607 5.241 ( 4.898 0.398 1.483) 5.134 5.335 ( -3.863 -3.461 -10.324) 11.554 5.429 ( 4.042 3.930 -15.804) 16.779 6.599 ( -1.472 -2.211 5.757) 6.340 6.843 ( 3.526 0.942 -4.622) 5.889 6.953 ( -4.569 0.102 -4.465) 6.389 7.669 ( -11.607 0.323 0.793) 11.639 8.285 ( -2.649 -0.216 11.685) 11.983 8.676 ( -0.768 0.773 -7.586) 7.664 8.797 ( 6.570 -0.715 -10.740) 12.611 9.008 ( -6.651 -2.416 -17.835) 19.187 9.401 ( 6.810 6.647 -3.092) 10.006 9.479 ( 10.133 -3.683 -6.094) 12.385 10.101 ( -1.755 6.373 8.752) 10.968 10.159 ( 3.653 -6.414 5.968) 9.492 10.360 ( -2.528 -0.646 -6.119) 6.652 10.727 ( -15.717 -1.470 2.270) 15.948 11.085 ( 2.339 3.949 -1.501) 4.830 11.273 ( 11.619 -1.014 0.598) 11.678 11.760 ( 0.336 0.205 15.272) 15.277 12.186 ( -2.857 -0.670 -18.167) 18.403 12.619 ( -21.666 -1.405 6.107) 22.554 13.151 ( -13.264 -2.138 12.588) 18.411 13.421 ( -0.292 2.767 3.258) 4.285 13.723 ( -15.840 -3.304 8.847) 18.441 14.064 ( -2.657 5.365 1.591) 6.195 14.341 ( 12.107 -1.793 13.526) 18.242 16.331 ( 22.311 -0.257 -20.453) 30.268 ======================= Grid point 156 (99/156) ======================= q-point: ( 0.15 0.45 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 4.070 0.203 15.864) 16.379 2.329 ( 8.913 -0.298 17.190) 19.365 3.058 ( -0.617 1.597 -15.637) 15.730 3.597 ( 5.250 2.047 -9.890) 11.383 3.705 ( 10.006 -1.234 0.131) 10.083 4.612 ( 4.501 -7.674 11.622) 14.636 4.779 ( -0.170 12.111 -19.843) 23.248 5.152 ( 1.541 0.420 13.211) 13.307 5.389 ( 3.967 -4.884 2.908) 6.932 5.585 ( 5.619 -5.123 10.635) 13.074 5.784 ( 9.811 5.490 -0.191) 11.244 6.522 ( -3.920 -2.205 1.657) 4.793 6.657 ( -1.470 -1.648 -0.379) 2.241 6.767 ( -7.124 -3.190 -5.838) 9.747 7.651 ( 10.505 6.083 -3.219) 12.558 8.172 ( -1.260 -5.346 -10.988) 12.285 8.479 ( -0.872 4.650 5.013) 6.893 8.689 ( 1.694 -3.395 -7.240) 8.174 9.070 ( 7.234 3.359 -0.305) 7.981 9.385 ( -5.614 -4.298 -1.283) 7.186 9.868 ( 6.885 6.633 -2.707) 9.936 10.110 ( 2.011 0.258 -2.863) 3.508 10.165 ( -9.840 -3.042 5.671) 11.757 10.307 ( -0.710 -0.466 3.877) 3.969 10.472 ( 2.398 0.601 2.508) 3.522 10.835 ( -7.509 6.933 -0.803) 10.251 11.427 ( -7.484 2.257 -2.414) 8.181 11.537 ( -9.315 5.658 -3.038) 11.315 11.858 ( -7.429 -9.865 3.621) 12.869 12.416 ( 6.170 -6.865 1.482) 9.348 12.916 ( -10.560 -1.745 0.788) 10.732 13.314 ( -1.936 -8.508 4.086) 9.635 13.619 ( 0.301 5.458 3.123) 6.295 13.940 ( -4.754 5.612 0.957) 7.417 14.914 ( 2.218 2.462 10.374) 10.891 16.489 ( 8.362 -1.266 -12.864) 15.395 ======================= Grid point 157 (100/156) ======================= q-point: ( 0.15 -0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -12.024 10.680 -0.146) 16.083 2.389 ( -6.449 0.053 -2.268) 6.836 3.258 ( 5.521 3.000 12.337) 13.845 3.540 ( 2.280 1.191 -8.271) 8.661 4.011 ( 7.169 -2.708 -9.571) 12.261 4.439 ( 8.140 3.216 -15.819) 18.079 4.897 ( -3.545 -8.670 14.478) 17.244 5.306 ( -7.521 -13.946 -0.887) 15.869 5.433 ( 2.197 2.929 3.299) 4.929 5.647 ( -9.455 3.554 -0.433) 10.110 5.933 ( -2.449 3.114 -0.253) 3.970 6.452 ( -5.310 -2.392 6.078) 8.418 6.654 ( 3.387 2.410 4.432) 6.077 6.867 ( 3.164 -0.425 1.875) 3.703 7.826 ( 3.533 -2.940 -3.526) 5.793 8.067 ( 4.819 -1.334 -10.960) 12.047 8.648 ( -0.310 -0.288 8.292) 8.302 8.701 ( 3.183 1.355 0.414) 3.484 9.054 ( -3.617 -4.565 -4.512) 7.367 9.340 ( 5.268 12.237 2.560) 13.566 9.819 ( 0.669 0.618 -3.182) 3.310 9.993 ( -5.069 -1.569 -3.310) 6.254 10.189 ( 3.768 -1.853 5.240) 6.715 10.374 ( -1.357 -2.724 3.699) 4.790 10.490 ( -2.077 11.134 0.938) 11.364 10.735 ( -2.752 -0.895 -1.083) 3.090 10.934 ( -3.121 6.929 -9.327) 12.031 11.553 ( 5.206 -2.777 8.280) 10.167 11.730 ( -0.311 -3.384 0.202) 3.404 12.552 ( 1.608 -8.089 0.269) 8.252 12.774 ( 0.805 -0.553 -1.810) 2.057 13.308 ( -2.688 -4.047 1.296) 5.028 13.618 ( -2.119 -1.856 0.671) 2.896 13.756 ( -3.176 0.599 -1.843) 3.720 14.797 ( -7.798 7.935 -4.430) 11.975 16.782 ( 9.848 -0.838 3.702) 10.554 ======================= Grid point 170 (101/156) ======================= q-point: ( 0.15 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 4.832 5.295 3.729) 8.081 2.578 ( 4.409 7.535 8.726) 12.343 3.162 ( -1.835 3.609 6.473) 7.635 3.762 ( 0.944 4.354 -7.986) 9.145 4.105 ( 5.107 1.388 -0.545) 5.321 4.457 ( -1.741 -6.873 6.101) 9.354 4.545 ( 3.333 -4.614 -11.986) 13.269 4.894 ( -4.189 -4.822 2.205) 6.757 5.244 ( 1.370 -6.265 -1.283) 6.541 5.664 ( -0.912 -1.951 -3.023) 3.711 5.961 ( -1.778 0.888 1.194) 2.319 6.343 ( -0.878 -3.312 4.135) 5.370 6.413 ( 0.009 -0.133 -0.812) 0.823 6.684 ( -2.796 2.952 1.514) 4.339 8.092 ( 2.615 -10.395 -10.024) 14.676 8.128 ( -2.795 3.726 -3.034) 5.558 8.466 ( 3.100 4.634 6.220) 8.353 8.922 ( 3.952 6.781 -9.172) 12.071 9.228 ( -1.038 -10.699 7.458) 13.083 9.423 ( 4.383 6.704 -3.319) 8.670 9.476 ( -6.212 -4.767 4.216) 8.893 9.972 ( -2.307 1.589 6.944) 7.487 10.288 ( 1.447 9.509 1.570) 9.745 10.581 ( 0.377 6.576 -1.138) 6.684 10.700 ( 3.687 -1.833 2.559) 4.848 10.951 ( 3.502 7.319 6.265) 10.251 11.328 ( -4.864 14.371 4.560) 15.842 11.579 ( -2.714 -6.090 -6.360) 9.214 11.833 ( 6.469 -7.040 -8.741) 12.954 12.169 ( -11.533 3.742 -5.250) 13.213 12.559 ( 3.874 -14.102 2.354) 14.813 13.385 ( 3.850 -5.817 -7.683) 10.377 13.585 ( 6.429 8.861 0.312) 10.952 14.128 ( -11.024 11.326 3.906) 16.281 14.655 ( 6.787 -5.496 16.493) 18.662 16.060 ( -10.129 -18.955 -9.926) 23.673 ======================= Grid point 171 (102/156) ======================= q-point: ( 0.15 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -4.735 1.377 -5.026) 7.041 2.571 ( -5.147 5.744 -2.091) 7.991 3.326 ( -3.661 1.281 0.943) 3.992 3.712 ( 0.959 2.955 5.563) 6.372 4.059 ( -8.932 5.699 6.062) 12.207 4.377 ( 5.657 -1.867 -0.701) 5.998 4.503 ( -0.856 -3.663 -3.709) 5.282 4.986 ( 1.194 -8.174 -8.892) 12.137 5.106 ( 3.958 -0.097 2.645) 4.761 5.744 ( 1.377 -6.734 0.939) 6.937 5.908 ( 1.708 2.920 -1.757) 3.812 6.317 ( 1.516 -2.567 -3.240) 4.402 6.440 ( -0.405 -0.297 -1.041) 1.156 6.771 ( 1.448 -2.002 2.124) 3.258 7.835 ( 1.858 3.863 3.907) 5.800 8.350 ( -3.574 -6.161 11.455) 13.489 8.521 ( -2.716 -0.720 -7.455) 7.967 8.843 ( 1.796 9.378 -2.467) 9.862 9.096 ( -1.355 0.614 1.734) 2.285 9.488 ( 2.582 -5.282 -1.879) 6.172 9.544 ( -2.383 -3.947 1.838) 4.963 10.033 ( -2.782 1.924 3.069) 4.568 10.367 ( 2.454 2.429 -5.372) 6.386 10.570 ( -0.545 7.010 2.850) 7.587 10.645 ( -8.956 7.573 -1.288) 11.799 10.973 ( -3.498 2.374 -6.945) 8.131 11.305 ( 7.782 9.564 6.750) 14.057 11.585 ( -0.335 7.222 -0.901) 7.286 11.788 ( -1.015 -10.796 -0.727) 10.867 12.039 ( 9.573 -1.525 2.292) 9.961 12.766 ( -3.737 -14.766 4.425) 15.861 13.298 ( 3.421 -7.042 -2.903) 8.350 13.612 ( -10.857 11.062 1.127) 15.541 14.049 ( 12.615 15.175 -8.972) 21.678 14.702 ( -10.086 -6.432 -4.493) 12.778 16.070 ( 10.958 -19.669 8.167) 23.951 ======================= Grid point 173 (103/156) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 22.573 15.792 0.000) 27.549 2.180 ( 3.889 16.361 0.000) 16.817 3.248 ( -2.254 13.921 -0.000) 14.102 3.820 ( -2.002 -8.125 -0.000) 8.368 3.874 ( 8.753 -8.080 0.000) 11.912 4.548 ( -4.511 -11.752 -0.000) 12.589 4.637 ( -17.611 11.556 -0.000) 21.064 4.915 ( -5.353 0.724 -0.000) 5.402 5.422 ( 6.646 8.128 0.000) 10.499 5.709 ( -1.574 -3.949 -0.000) 4.252 5.902 ( 6.054 8.884 0.000) 10.751 6.448 ( -0.039 4.134 -0.000) 4.134 6.629 ( -2.088 1.408 -0.000) 2.518 6.788 ( -12.061 -4.990 -0.000) 13.052 7.956 ( -2.315 -7.602 -0.000) 7.946 7.979 ( 6.456 2.347 0.000) 6.870 8.676 ( 1.138 6.971 -0.000) 7.063 8.812 ( 0.778 -6.398 0.000) 6.445 8.944 ( 0.801 -0.381 0.000) 0.887 9.778 ( -5.437 6.243 -0.000) 8.279 9.807 ( 2.812 -2.091 0.000) 3.504 9.882 ( 13.348 -12.347 0.000) 18.183 10.265 ( -2.270 -0.325 -0.000) 2.293 10.332 ( -5.160 2.655 -0.000) 5.803 10.401 ( 1.278 6.813 -0.000) 6.932 10.724 ( 5.785 0.721 0.000) 5.830 11.197 ( 11.385 -7.842 0.000) 13.824 11.404 ( -7.721 5.911 -0.000) 9.724 11.976 ( 2.633 -13.682 0.000) 13.933 12.517 ( -11.613 -8.379 -0.000) 14.320 12.749 ( 11.619 7.606 0.000) 13.887 13.096 ( -7.230 0.257 -0.000) 7.235 13.593 ( 3.396 6.494 0.000) 7.329 13.650 ( -3.794 -2.027 -0.000) 4.302 14.700 ( 2.881 10.374 0.000) 10.767 16.923 ( -10.485 -10.581 -0.000) 14.896 ======================= Grid point 175 (104/156) ======================= q-point: ( 0.15 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 3.187 1.872 -0.582) 3.742 2.601 ( -1.060 -4.278 0.719) 4.466 3.348 ( 2.054 11.674 6.394) 13.468 3.726 ( -3.030 -6.186 -0.351) 6.897 4.188 ( -7.853 2.044 5.904) 10.035 4.234 ( -0.431 5.077 8.526) 9.933 4.563 ( 3.748 -3.466 -14.090) 14.986 4.786 ( 3.566 -10.746 -1.368) 11.405 5.259 ( 2.423 3.602 -4.512) 6.261 5.514 ( -2.552 -7.452 1.808) 8.082 5.986 ( 2.115 2.872 -3.425) 4.945 6.193 ( -0.386 -7.499 -0.396) 7.519 6.553 ( 1.997 5.902 1.887) 6.510 6.673 ( -1.784 0.424 4.162) 4.548 7.922 ( -6.695 1.071 -2.560) 7.247 8.089 ( 1.549 -5.476 2.750) 6.320 8.651 ( 4.124 4.810 -4.465) 7.751 8.949 ( 0.407 -9.305 -3.308) 9.884 9.088 ( -2.742 5.157 -3.472) 6.795 9.318 ( 1.036 -5.292 1.040) 5.492 9.746 ( 1.063 10.749 0.556) 10.816 9.941 ( 0.411 0.441 9.422) 9.442 10.484 ( 3.932 3.721 -5.200) 7.506 10.600 ( -1.311 -3.293 -0.094) 3.546 10.741 ( -2.030 7.665 3.479) 8.659 11.213 ( -0.336 -7.456 -2.354) 7.826 11.383 ( 1.216 16.821 5.566) 17.760 11.706 ( 5.947 4.127 -3.008) 7.838 11.815 ( 0.374 -4.076 -0.004) 4.094 11.994 ( -12.842 13.558 -3.335) 18.970 12.369 ( 1.381 -14.271 5.787) 15.462 12.961 ( 2.433 -22.522 -4.441) 23.084 14.105 ( -8.692 11.093 2.908) 14.390 14.249 ( 8.814 15.812 -5.079) 18.802 14.708 ( 5.524 2.001 6.823) 9.004 15.453 ( -4.815 -25.007 -3.334) 25.683 ======================= Grid point 178 (105/156) ======================= q-point: ( 0.15 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 2.147 6.004 0.000) 6.376 2.607 ( 12.700 13.153 0.000) 18.284 3.316 ( -1.078 -1.992 -0.000) 2.265 3.623 ( -0.491 -8.702 0.000) 8.716 3.860 ( 0.296 -14.130 0.000) 14.133 4.386 ( 8.175 1.348 0.000) 8.285 4.592 ( -5.799 9.144 -0.000) 10.828 4.817 ( -5.170 -0.390 -0.000) 5.185 5.457 ( -14.075 -6.210 -0.000) 15.384 5.687 ( -1.113 12.993 -0.000) 13.040 6.113 ( 4.213 3.545 0.000) 5.507 6.406 ( -6.697 -2.209 -0.000) 7.052 6.547 ( -5.363 -2.527 -0.000) 5.929 6.566 ( -2.432 1.737 -0.000) 2.988 7.724 ( -0.784 -9.754 0.000) 9.785 8.216 ( 14.131 -1.768 0.000) 14.241 8.580 ( -8.277 -7.250 -0.000) 11.003 8.899 ( 3.499 4.913 0.000) 6.031 9.037 ( 5.477 3.730 0.000) 6.626 9.727 ( -3.731 -2.866 -0.000) 4.705 9.808 ( -6.396 7.427 -0.000) 9.802 10.048 ( 13.038 -2.047 0.000) 13.198 10.295 ( 0.689 2.366 0.000) 2.464 10.327 ( 5.355 1.553 0.000) 5.576 10.661 ( 4.483 13.168 0.000) 13.910 10.795 ( 0.807 -0.798 0.000) 1.134 11.220 ( 6.093 -5.870 0.000) 8.461 11.429 ( 1.023 0.023 0.000) 1.023 11.801 ( 0.012 -6.061 0.000) 6.061 12.160 ( -12.145 -2.300 -0.000) 12.361 12.817 ( -1.236 -13.336 0.000) 13.393 13.007 ( 3.578 -4.492 0.000) 5.743 13.759 ( 5.345 13.309 0.000) 14.342 13.761 ( -0.474 7.021 -0.000) 7.037 14.961 ( 0.545 13.761 -0.000) 13.772 16.377 ( -20.127 -14.577 -0.000) 24.851 ======================= Grid point 180 (106/156) ======================= q-point: ( 0.15 0.25 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -2.338 -1.459 -0.131) 2.760 2.612 ( 5.307 -1.096 -0.050) 5.419 3.447 ( -6.010 -0.262 -3.608) 7.014 3.667 ( 4.429 2.127 5.038) 7.037 4.222 ( -4.294 7.926 17.061) 19.296 4.275 ( 1.607 -1.302 -4.075) 4.570 4.478 ( -2.797 -3.310 -11.986) 12.745 4.779 ( 10.849 -2.546 0.342) 11.149 5.202 ( -7.632 -2.631 1.596) 8.229 5.532 ( 7.442 3.067 -0.009) 8.049 5.983 ( -2.838 -3.135 -3.354) 5.397 6.193 ( 6.902 0.654 -0.556) 6.955 6.548 ( -5.315 -1.608 2.188) 5.968 6.705 ( 1.540 2.198 1.586) 3.117 7.867 ( -4.152 2.163 2.427) 5.273 8.140 ( 8.542 2.630 -2.357) 9.243 8.652 ( -4.648 -3.196 -3.884) 6.848 8.901 ( 0.574 0.506 0.794) 1.102 9.105 ( 2.278 -1.083 -4.747) 5.375 9.348 ( 5.960 -0.067 -1.846) 6.240 9.687 ( -10.967 -0.524 5.778) 12.407 10.048 ( 3.793 -0.111 0.235) 3.801 10.430 ( -4.854 -1.679 -1.229) 5.281 10.635 ( 2.504 0.238 -2.306) 3.412 10.806 ( -4.752 0.586 -4.559) 6.611 11.123 ( 5.636 -0.698 5.825) 8.135 11.464 ( -19.882 -2.723 0.710) 20.080 11.644 ( -4.577 0.028 1.296) 4.757 11.777 ( 4.400 7.231 3.301) 9.085 11.965 ( -10.535 -6.162 0.432) 12.213 12.456 ( 12.816 10.151 -3.469) 16.713 12.912 ( 20.633 -5.670 0.670) 21.409 14.091 ( -14.062 11.578 4.685) 18.808 14.198 ( -14.856 -10.254 -0.270) 18.053 14.817 ( 1.647 -9.648 -4.241) 10.667 15.418 ( 24.459 7.332 0.040) 25.534 ======================= Grid point 183 (107/156) ======================= q-point: ( 0.15 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 2.862 4.727 0.000) 5.526 2.820 ( -10.054 4.435 -0.000) 10.989 3.307 ( 11.413 -4.726 0.000) 12.353 3.396 ( -7.090 -20.689 -0.000) 21.870 3.522 ( 5.347 -4.562 0.000) 7.029 4.526 ( -6.077 -8.095 -0.000) 10.122 4.774 ( 2.977 10.259 0.000) 10.683 4.807 ( 2.311 9.678 0.000) 9.950 5.233 ( 0.834 5.708 -0.000) 5.768 5.834 ( -9.567 10.519 -0.000) 14.219 6.182 ( 2.053 -1.499 0.000) 2.542 6.270 ( -5.157 -1.424 -0.000) 5.350 6.461 ( 0.392 1.251 0.000) 1.311 6.550 ( -2.406 -0.046 -0.000) 2.407 7.606 ( 3.934 -4.492 0.000) 5.971 8.165 ( -2.071 -12.182 0.000) 12.357 8.539 ( 9.981 0.873 0.000) 10.020 8.946 ( 1.754 -4.379 0.000) 4.717 9.252 ( 6.933 3.974 0.000) 7.991 9.614 ( -3.334 -1.378 -0.000) 3.608 9.750 ( -11.966 4.060 -0.000) 12.636 10.046 ( -8.219 2.114 -0.000) 8.486 10.443 ( 3.071 0.742 0.000) 3.159 10.549 ( 7.699 2.497 0.000) 8.094 10.828 ( 14.583 -8.421 0.000) 16.839 10.933 ( 2.465 0.681 0.000) 2.558 11.254 ( -8.433 -7.455 -0.000) 11.256 11.273 ( 5.878 2.734 0.000) 6.483 11.880 ( 6.389 11.120 0.000) 12.825 12.060 ( -3.497 3.246 -0.000) 4.771 12.374 ( -14.085 -9.255 -0.000) 16.854 13.064 ( 11.556 -5.095 0.000) 12.629 13.834 ( -4.432 5.203 -0.000) 6.835 14.158 ( 8.642 8.293 0.000) 11.978 15.303 ( 3.055 19.403 -0.000) 19.642 15.610 ( -26.528 -16.529 -0.000) 31.256 ======================= Grid point 187 (108/156) ======================= q-point: ( 0.15 0.65 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 12.308 0.178 9.610) 15.617 2.543 ( 8.527 6.560 -0.792) 10.788 3.200 ( 4.236 -9.898 6.388) 12.519 3.472 ( -3.337 -1.984 -4.228) 5.740 3.727 ( -4.575 -14.148 -9.063) 17.414 4.496 ( 4.122 4.797 -13.061) 14.512 4.797 ( -0.659 0.457 2.561) 2.684 5.045 ( -15.600 1.769 -7.158) 17.255 5.433 ( -4.354 -4.858 10.064) 11.993 5.882 ( 1.477 8.062 6.367) 10.379 6.010 ( 4.046 -2.525 4.460) 6.530 6.429 ( -3.600 0.953 2.555) 4.516 6.560 ( -5.534 -0.091 3.292) 6.440 6.728 ( -2.729 -3.183 -0.409) 4.212 7.712 ( -4.123 -0.836 -6.532) 7.769 7.977 ( 6.558 -11.456 -12.207) 17.979 8.588 ( -1.849 -2.802 1.320) 3.608 8.741 ( 4.248 -1.768 4.795) 6.646 9.068 ( 0.031 2.411 -1.913) 3.078 9.529 ( 10.436 -4.240 6.702) 13.108 9.848 ( 3.877 3.327 -4.010) 6.494 10.008 ( -4.479 2.692 -1.834) 5.538 10.231 ( 5.986 2.922 4.168) 7.857 10.344 ( -3.843 0.878 4.432) 5.931 10.686 ( 6.851 -1.765 4.040) 8.147 10.859 ( 5.172 5.532 -2.533) 7.986 11.158 ( 6.206 5.818 -10.616) 13.604 11.483 ( -4.243 4.864 7.859) 10.170 11.668 ( -2.904 1.324 0.324) 3.208 12.344 ( -8.304 -1.991 -1.189) 8.622 12.741 ( -1.282 -2.301 -4.234) 4.987 13.054 ( -13.707 -2.369 -1.416) 13.982 13.783 ( 4.982 5.053 4.117) 8.204 13.934 ( 4.533 8.942 -0.355) 10.032 15.082 ( 6.470 7.178 2.232) 9.918 16.431 ( -12.199 -12.362 -1.645) 17.445 ======================= Grid point 188 (109/156) ======================= q-point: ( 0.15 -0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -10.805 -1.937 -0.000) 10.977 2.603 ( -5.341 -10.383 -0.000) 11.676 3.006 ( 1.105 -3.806 0.000) 3.963 3.477 ( 10.078 -1.339 0.000) 10.166 3.723 ( 16.695 2.596 0.000) 16.896 4.190 ( -6.418 -8.413 -0.000) 10.582 4.993 ( -1.498 9.318 -0.000) 9.438 5.009 ( -1.502 9.965 -0.000) 10.077 5.593 ( 8.112 14.971 0.000) 17.028 5.711 ( -9.437 -1.798 -0.000) 9.606 6.123 ( -6.099 -1.898 -0.000) 6.388 6.250 ( 2.059 4.233 0.000) 4.707 6.454 ( -2.857 -4.470 -0.000) 5.305 6.551 ( 0.614 5.876 -0.000) 5.908 7.711 ( 9.428 0.669 0.000) 9.452 7.988 ( 1.478 -4.148 0.000) 4.403 8.764 ( 14.832 -3.496 0.000) 15.239 8.852 ( 1.235 -6.752 0.000) 6.864 9.365 ( -1.066 -3.659 -0.000) 3.811 9.526 ( -3.902 -1.732 -0.000) 4.269 9.572 ( -8.983 5.520 -0.000) 10.544 9.902 ( -12.061 3.798 -0.000) 12.645 10.466 ( 1.396 -2.133 0.000) 2.549 10.489 ( -7.633 -15.799 -0.000) 17.546 10.673 ( 2.386 -6.076 0.000) 6.528 10.874 ( -2.865 -1.973 -0.000) 3.478 11.302 ( 15.874 -10.861 0.000) 19.233 11.462 ( 5.930 2.903 0.000) 6.602 11.737 ( -9.209 -7.432 -0.000) 11.834 12.363 ( 7.623 17.358 0.000) 18.958 12.368 ( -7.118 20.781 -0.000) 21.966 13.251 ( 17.241 -4.760 0.000) 17.886 13.779 ( -7.177 0.377 -0.000) 7.187 14.315 ( 2.683 -3.478 0.000) 4.393 14.780 ( -28.507 -10.841 -0.000) 30.499 15.842 ( 8.817 22.719 0.000) 24.370 ======================= Grid point 192 (110/156) ======================= q-point: ( 0.15 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 7.471 1.123 11.311) 13.602 2.802 ( 6.414 -6.574 12.408) 15.437 3.048 ( 8.813 -9.821 -11.759) 17.674 3.283 ( -6.392 -13.353 -14.242) 20.543 3.468 ( -4.522 4.766 2.628) 7.077 4.562 ( -4.386 -3.449 -1.172) 5.701 4.786 ( -2.390 0.712 -0.163) 2.499 5.057 ( 6.864 9.186 -8.708) 14.399 5.227 ( -2.147 0.548 9.048) 9.315 5.925 ( -1.501 -6.900 10.503) 12.656 6.042 ( 4.802 0.347 6.193) 7.844 6.455 ( -0.672 2.670 -5.177) 5.863 6.498 ( -2.909 4.949 1.470) 5.926 6.656 ( -4.740 0.921 -3.633) 6.043 7.641 ( -3.643 0.610 -10.061) 10.718 7.864 ( 6.832 -10.705 -2.185) 12.885 8.514 ( 0.299 -1.455 -2.766) 3.140 8.741 ( 3.484 -6.444 -0.053) 7.325 9.147 ( 3.311 1.286 6.190) 7.137 9.562 ( 2.429 -1.489 1.800) 3.370 9.885 ( -2.934 -4.234 2.338) 5.657 10.060 ( 6.817 -1.892 -2.814) 7.614 10.264 ( -2.405 -0.283 5.317) 5.843 10.422 ( 4.433 1.940 1.639) 5.109 10.715 ( 2.045 -3.083 5.771) 6.855 11.011 ( 0.329 2.168 -7.576) 7.887 11.334 ( -2.467 5.776 -3.782) 7.331 11.397 ( -6.892 -1.052 -4.990) 8.573 11.932 ( 6.736 19.129 7.427) 21.598 12.115 ( -7.071 -4.504 -0.982) 8.441 12.704 ( -7.208 9.047 -3.222) 12.008 12.851 ( -0.861 -1.422 -2.847) 3.297 13.897 ( -0.100 0.883 5.399) 5.471 14.186 ( 4.249 4.301 -0.705) 6.087 15.305 ( 2.038 2.527 14.347) 14.710 15.942 ( -12.582 -5.089 -13.068) 18.841 ======================= Grid point 193 (111/156) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -11.070 -19.691 -0.000) 22.589 2.383 ( -8.407 -1.595 -0.000) 8.557 3.135 ( 1.435 6.886 0.000) 7.034 3.622 ( 8.839 -3.199 0.000) 9.400 4.000 ( 0.179 -5.221 0.000) 5.224 4.153 ( 16.951 4.807 0.000) 17.619 5.089 ( -10.394 9.266 -0.000) 13.925 5.122 ( -2.762 9.018 -0.000) 9.432 5.502 ( -2.034 -4.051 -0.000) 4.533 5.844 ( -5.472 0.852 -0.000) 5.538 6.064 ( 0.893 -2.612 0.000) 2.760 6.339 ( -2.127 5.100 -0.000) 5.526 6.379 ( -0.344 5.178 -0.000) 5.189 6.693 ( -0.846 8.912 -0.000) 8.952 7.894 ( 9.104 -2.707 0.000) 9.498 8.026 ( 4.462 -0.223 0.000) 4.468 8.778 ( 0.886 -3.502 0.000) 3.612 8.945 ( 14.507 -8.227 0.000) 16.677 9.159 ( -6.985 -1.042 -0.000) 7.062 9.307 ( -9.410 -6.893 -0.000) 11.665 9.630 ( -0.171 4.720 -0.000) 4.723 9.816 ( -6.107 10.363 -0.000) 12.029 10.093 ( -1.851 -10.040 0.000) 10.210 10.453 ( 2.582 -2.467 0.000) 3.571 10.665 ( 1.196 -2.262 0.000) 2.559 10.776 ( -5.073 -0.498 -0.000) 5.097 10.996 ( -4.881 -18.067 -0.000) 18.715 11.616 ( 4.485 2.504 0.000) 5.137 11.790 ( 13.680 -3.491 0.000) 14.118 12.655 ( -4.184 7.393 -0.000) 8.495 12.705 ( -4.978 24.103 -0.000) 24.612 13.320 ( 7.273 -23.203 0.000) 24.316 13.692 ( 1.737 3.495 0.000) 3.903 14.167 ( -1.394 -11.917 0.000) 11.998 14.273 ( -19.064 10.527 -0.000) 21.778 16.447 ( 10.448 18.577 0.000) 21.313 ======================= Grid point 196 (112/156) ======================= q-point: ( 0.15 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 12.507 -3.866 20.285) 24.142 2.131 ( 3.946 -14.788 21.481) 26.376 3.089 ( 4.437 -1.200 -15.959) 16.608 3.432 ( -1.829 -11.282 -17.174) 20.629 3.591 ( -4.357 2.678 19.457) 20.118 4.456 ( -1.338 1.343 4.762) 5.125 4.963 ( -0.874 -7.139 -17.603) 19.016 5.032 ( 1.748 -0.429 7.254) 7.474 5.226 ( -4.252 0.353 0.779) 4.337 5.460 ( 6.679 -9.245 7.051) 13.409 5.707 ( 8.303 -9.980 4.825) 13.850 6.548 ( 2.364 4.647 -0.953) 5.300 6.710 ( -4.291 7.208 -1.486) 8.520 6.833 ( -3.673 1.969 -1.851) 4.560 7.600 ( 3.672 -6.622 -2.876) 8.100 8.132 ( -6.512 8.848 -14.619) 18.286 8.552 ( -2.721 -2.039 -5.556) 6.514 8.603 ( 3.742 -0.059 2.236) 4.360 8.963 ( 4.247 -9.751 -4.391) 11.507 9.442 ( 2.011 2.265 2.846) 4.156 9.820 ( 4.058 -12.417 1.466) 13.145 9.964 ( -6.199 2.067 -2.175) 6.887 10.249 ( -0.300 0.701 2.658) 2.765 10.410 ( 2.173 0.190 2.641) 3.425 10.530 ( 3.524 5.935 1.328) 7.029 11.084 ( 4.386 3.443 -2.809) 6.243 11.468 ( -0.512 -7.044 -1.517) 7.223 11.679 ( -6.972 6.772 -7.443) 12.242 12.052 ( 4.505 11.179 9.107) 15.106 12.226 ( -9.572 9.081 3.978) 13.780 12.991 ( -8.110 5.882 1.890) 10.195 13.225 ( -11.438 16.665 -0.087) 20.213 13.707 ( 5.036 -4.911 4.025) 8.104 14.150 ( 2.835 1.779 2.892) 4.424 14.892 ( 4.809 -5.840 17.416) 18.988 16.260 ( -1.162 -8.142 -18.615) 20.351 ======================= Grid point 197 (113/156) ======================= q-point: ( 0.15 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -3.838 -14.035 5.821) 15.672 2.673 ( -0.726 -1.322 10.924) 11.027 2.935 ( 0.120 -7.466 -11.166) 13.433 3.269 ( 14.917 -0.716 -8.859) 17.364 3.599 ( 3.705 8.581 2.012) 9.561 4.261 ( -5.547 -7.356 -14.580) 17.247 5.004 ( 3.704 10.557 13.558) 17.578 5.237 ( 2.340 4.368 8.080) 9.478 5.433 ( 6.737 5.022 5.409) 9.993 5.757 ( 2.164 -6.769 -0.470) 7.122 6.050 ( -0.250 -5.738 5.764) 8.137 6.497 ( -4.188 3.106 -9.690) 11.003 6.543 ( -2.244 5.126 -2.660) 6.196 6.610 ( -0.624 3.467 1.257) 3.741 7.601 ( 3.740 -2.218 0.401) 4.366 7.916 ( 6.136 1.117 -8.807) 10.792 8.553 ( 5.397 -1.523 -1.850) 5.905 8.659 ( 2.552 -6.426 -2.759) 7.445 9.203 ( 1.807 -1.228 10.471) 10.697 9.539 ( -5.483 -2.084 -1.569) 6.072 9.750 ( 1.274 -2.223 -0.622) 2.637 10.105 ( 1.553 -0.513 1.831) 2.455 10.206 ( -1.311 -4.337 0.303) 4.541 10.381 ( -2.199 -6.070 1.162) 6.560 10.709 ( -4.432 3.481 4.683) 7.327 10.896 ( -2.973 -10.004 -4.471) 11.353 11.154 ( -4.636 -4.157 -12.272) 13.761 11.444 ( -3.597 8.335 9.370) 13.046 11.905 ( -7.796 0.103 -6.230) 9.980 12.472 ( 6.772 14.550 5.409) 16.935 12.785 ( 1.251 5.716 3.453) 6.795 13.021 ( 2.638 13.175 -6.251) 14.820 13.801 ( -4.337 -5.395 5.562) 8.880 14.165 ( -0.980 -9.737 -0.548) 9.801 15.056 ( -15.486 -3.762 7.455) 17.594 16.068 ( 8.976 12.748 -7.714) 17.395 ======================= Grid point 198 (114/156) ======================= q-point: ( 0.15 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -14.785 -9.968 -0.000) 17.832 2.131 ( -15.879 -1.946 -0.000) 15.997 3.200 ( -9.414 5.113 -0.000) 10.713 3.733 ( 10.052 -1.909 0.000) 10.232 3.962 ( 3.926 -3.640 0.000) 5.354 4.539 ( 13.979 4.773 0.000) 14.771 4.988 ( -17.689 9.475 -0.000) 20.067 5.093 ( -6.578 -1.397 -0.000) 6.724 5.600 ( -6.480 -17.298 -0.000) 18.472 5.634 ( 10.847 3.247 0.000) 11.322 5.777 ( -10.024 -5.656 -0.000) 11.509 6.395 ( -4.210 2.142 -0.000) 4.723 6.518 ( -1.333 9.295 -0.000) 9.390 6.848 ( -2.086 8.716 -0.000) 8.962 7.958 ( 4.613 -4.450 0.000) 6.410 8.046 ( -1.879 -1.503 -0.000) 2.406 8.703 ( -3.304 1.129 -0.000) 3.491 8.956 ( 9.636 -13.317 0.000) 16.437 9.092 ( 0.859 -6.503 0.000) 6.560 9.270 ( 7.758 12.261 0.000) 14.509 9.708 ( 0.437 3.186 -0.000) 3.216 9.946 ( -1.300 -3.603 -0.000) 3.830 10.128 ( 2.188 19.472 -0.000) 19.594 10.469 ( 3.359 -3.018 0.000) 4.516 10.624 ( -5.601 2.139 -0.000) 5.995 10.633 ( 5.889 -14.307 0.000) 15.471 10.663 ( -4.833 -0.239 -0.000) 4.839 11.696 ( 0.707 -1.889 0.000) 2.017 12.004 ( 16.175 -4.129 0.000) 16.694 12.496 ( -14.084 -0.676 -0.000) 14.100 12.997 ( 2.118 -13.539 0.000) 13.704 13.027 ( -5.454 17.589 -0.000) 18.415 13.758 ( 4.023 -2.671 0.000) 4.829 13.840 ( -2.955 -16.094 0.000) 16.363 14.349 ( -6.248 14.970 -0.000) 16.222 16.924 ( 9.056 10.340 0.000) 13.745 ======================= Grid point 201 (115/156) ======================= q-point: ( 0.15 0.45 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 4.401 -13.061 18.306) 22.914 2.134 ( 14.341 -3.215 21.083) 25.700 3.152 ( -2.198 -7.409 -18.576) 20.120 3.296 ( 9.799 4.941 -13.668) 17.529 3.624 ( -0.300 4.339 20.966) 21.413 4.574 ( 3.284 5.144 3.615) 7.094 4.717 ( -3.952 -4.852 -14.633) 15.915 5.078 ( 1.812 1.746 7.956) 8.345 5.310 ( 5.531 0.499 4.354) 7.057 5.492 ( 10.746 -1.732 1.193) 10.950 5.675 ( 7.930 -11.560 7.062) 15.697 6.663 ( -6.819 -0.987 -1.109) 6.978 6.742 ( -5.217 0.689 0.286) 5.270 6.783 ( 5.813 5.490 -8.535) 11.696 7.499 ( -1.447 -2.287 -2.152) 3.458 8.238 ( -3.840 7.627 -16.272) 18.376 8.450 ( -1.712 -1.570 6.533) 6.934 8.697 ( 2.961 -0.392 -11.587) 11.966 8.921 ( 7.985 -4.611 0.361) 9.228 9.524 ( 3.209 -3.833 3.437) 6.067 9.644 ( 1.620 -1.462 0.638) 2.274 9.999 ( 1.594 3.741 -0.037) 4.066 10.269 ( -0.210 2.207 -0.652) 2.310 10.400 ( -2.177 -0.994 2.738) 3.636 10.590 ( -2.010 -5.032 1.037) 5.517 10.970 ( -9.898 -4.846 -2.074) 11.214 11.412 ( 1.250 2.286 -0.120) 2.608 11.614 ( -11.269 6.571 -3.685) 13.555 12.075 ( -0.767 -2.975 -2.328) 3.855 12.427 ( -1.566 5.638 7.079) 9.184 13.019 ( -8.529 13.585 6.029) 17.136 13.378 ( -6.895 8.976 1.116) 11.373 13.624 ( -1.032 -2.478 6.092) 6.657 14.027 ( -3.629 -8.402 -0.367) 9.160 14.870 ( 2.731 -3.497 16.129) 16.728 16.284 ( 9.550 0.931 -17.975) 20.376 ======================= Grid point 202 (116/156) ======================= q-point: ( 0.15 0.65 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -8.549 -8.029 0.870) 11.760 2.509 ( -5.148 -2.915 -1.848) 6.198 3.062 ( 8.719 2.682 7.250) 11.652 3.462 ( 4.814 0.793 -5.562) 7.398 3.868 ( 11.440 -0.345 -2.968) 11.824 4.214 ( 3.966 4.621 -20.362) 21.254 5.125 ( -3.172 -4.354 16.411) 17.273 5.252 ( -1.104 4.420 9.155) 10.226 5.614 ( -0.415 7.722 -5.587) 9.540 5.753 ( 0.805 -13.026 0.624) 13.066 5.902 ( 0.525 0.829 5.323) 5.413 6.499 ( -0.132 6.265 2.305) 6.677 6.575 ( -4.046 1.277 1.712) 4.575 6.738 ( 3.615 4.851 1.644) 6.269 7.727 ( 9.239 -0.073 -2.749) 9.640 8.027 ( 4.707 -2.300 -13.022) 14.036 8.600 ( 4.819 -2.693 3.987) 6.810 8.658 ( 3.294 -1.125 -1.456) 3.773 9.175 ( -1.199 0.366 6.301) 6.425 9.324 ( -7.579 -6.349 -2.148) 10.117 9.785 ( 0.607 1.060 -5.902) 6.027 10.030 ( -1.746 -1.058 -2.790) 3.457 10.164 ( -5.925 9.768 3.305) 11.893 10.313 ( 1.889 -1.187 4.468) 4.994 10.527 ( -3.693 -8.920 -0.496) 9.667 10.780 ( 1.426 -2.682 1.416) 3.352 11.032 ( -6.428 0.454 -9.455) 11.442 11.506 ( -0.714 2.087 9.061) 9.325 11.799 ( -5.293 2.225 -3.881) 6.930 12.692 ( 10.295 -6.193 -2.019) 12.183 12.846 ( -6.964 -3.223 6.546) 10.086 13.235 ( -3.519 12.348 -1.502) 12.927 13.709 ( 0.654 1.375 3.674) 3.977 13.875 ( -3.184 -12.145 0.613) 12.570 14.820 ( -10.619 5.552 -3.105) 12.378 16.498 ( 10.944 8.775 -0.636) 14.042 ======================= Grid point 203 (117/156) ======================= q-point: ( 0.20 -0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -16.756 13.984 -0.000) 21.825 2.125 ( -17.794 1.406 -0.000) 17.850 3.262 ( -11.127 1.152 -0.000) 11.187 3.749 ( 9.764 3.724 0.000) 10.450 3.885 ( 5.445 -4.082 0.000) 6.805 4.593 ( 14.384 0.350 0.000) 14.388 5.021 ( -3.655 -5.239 -0.000) 6.388 5.035 ( -16.959 -17.127 -0.000) 24.102 5.289 ( -7.064 1.955 -0.000) 7.329 5.692 ( 6.222 2.483 0.000) 6.699 5.795 ( -10.071 4.205 -0.000) 10.914 6.433 ( -4.847 1.525 -0.000) 5.081 6.632 ( -2.882 2.347 -0.000) 3.717 6.932 ( 1.474 -1.376 0.000) 2.017 7.914 ( 1.741 0.319 0.000) 1.770 8.010 ( 0.841 -2.555 0.000) 2.690 8.732 ( 2.800 -7.802 0.000) 8.290 8.755 ( 0.896 3.679 0.000) 3.786 8.982 ( 1.080 -4.214 0.000) 4.350 9.549 ( 14.390 15.764 0.000) 21.344 9.781 ( -1.157 3.858 -0.000) 4.028 9.868 ( -3.449 -4.014 -0.000) 5.292 10.345 ( -2.339 -1.206 -0.000) 2.632 10.409 ( -0.086 -3.162 0.000) 3.164 10.417 ( 0.538 -5.211 0.000) 5.238 10.661 ( -2.704 0.704 -0.000) 2.795 10.855 ( 6.929 20.532 0.000) 21.670 11.589 ( -4.404 -9.012 -0.000) 10.031 11.950 ( 15.091 -0.981 0.000) 15.123 12.537 ( -6.588 5.791 -0.000) 8.771 12.766 ( 2.508 -10.729 0.000) 11.019 13.241 ( -5.758 0.298 -0.000) 5.766 13.569 ( -2.898 -6.631 -0.000) 7.237 13.711 ( 2.374 -2.536 0.000) 3.474 14.584 ( -7.941 9.100 -0.000) 12.078 17.028 ( 9.433 0.026 0.000) 9.433 ======================= Grid point 205 (118/156) ======================= q-point: ( 0.20 0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.000 0.000 29.345) 29.345 1.148 ( -0.000 0.000 29.345) 29.345 2.385 ( -0.000 0.000 61.224) 61.224 3.533 ( 0.000 -0.000 -19.491) 19.491 3.533 ( 0.000 -0.000 -19.491) 19.491 4.578 ( -0.000 0.000 12.282) 12.282 4.900 ( -0.000 0.000 9.178) 9.178 4.900 ( -0.000 0.000 9.178) 9.178 5.183 ( -0.000 0.000 2.037) 2.037 5.393 ( 0.000 -0.000 -19.251) 19.251 5.393 ( 0.000 -0.000 -19.251) 19.251 6.591 ( -0.000 0.000 8.207) 8.207 6.811 ( 0.000 -0.000 -7.711) 7.711 7.010 ( 0.000 -0.000 -4.410) 4.410 7.835 ( 0.000 -0.000 -1.242) 1.242 8.330 ( -0.000 0.000 6.242) 6.242 8.675 ( 0.000 -0.000 -5.176) 5.176 8.675 ( 0.000 -0.000 -5.176) 5.176 9.144 ( 0.000 -0.000 -29.357) 29.357 9.325 ( 0.000 -0.000 -0.965) 0.965 9.325 ( 0.000 -0.000 -0.965) 0.965 10.119 ( -0.000 0.000 9.385) 9.385 10.119 ( -0.000 0.000 9.385) 9.385 10.400 ( 0.000 -0.000 -9.657) 9.657 11.003 ( -0.000 0.000 2.024) 2.024 11.033 ( -0.000 0.000 1.165) 1.165 11.033 ( -0.000 0.000 1.165) 1.165 11.765 ( -0.000 0.000 18.100) 18.100 12.210 ( 0.000 -0.000 -20.302) 20.302 12.803 ( 0.000 -0.000 -0.601) 0.601 13.415 ( -0.000 0.000 2.442) 2.442 13.415 ( -0.000 0.000 2.442) 2.442 14.030 ( -0.000 0.000 22.128) 22.128 14.097 ( -0.000 0.000 1.996) 1.996 14.097 ( -0.000 0.000 1.996) 1.996 16.011 ( 0.000 -0.000 -8.563) 8.563 ======================= Grid point 206 (119/156) ======================= q-point: ( 0.20 0.40 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 4.179 0.071 20.844) 21.259 2.099 ( 14.435 -0.313 22.756) 26.950 3.061 ( -0.808 -1.646 -17.455) 17.551 3.402 ( 10.474 4.607 -15.871) 19.565 3.654 ( 0.671 -1.387 25.214) 25.261 4.539 ( 0.885 -6.221 4.839) 7.931 4.789 ( -0.621 10.242 -20.110) 22.576 5.102 ( 4.263 -1.413 9.473) 10.483 5.292 ( 5.303 -0.341 1.495) 5.520 5.457 ( 7.239 -8.757 6.384) 13.033 5.558 ( 12.339 6.613 2.054) 14.149 6.578 ( -2.495 -4.839 -0.711) 5.490 6.757 ( -7.362 -0.391 -1.011) 7.442 6.855 ( 0.111 1.536 -5.940) 6.136 7.522 ( 0.367 3.556 -1.826) 4.014 8.254 ( -6.827 -4.857 -13.606) 15.979 8.495 ( -0.896 4.955 3.283) 6.011 8.647 ( 2.422 -4.182 -8.792) 10.033 8.899 ( 9.929 1.828 -2.930) 10.512 9.457 ( -0.859 -2.952 1.990) 3.663 9.674 ( 11.452 6.211 0.426) 13.034 10.078 ( 0.215 0.662 -7.384) 7.416 10.281 ( -0.518 -3.220 6.264) 7.062 10.378 ( 2.197 -0.018 3.641) 4.252 10.483 ( -12.926 -0.867 2.982) 13.294 10.985 ( -6.206 4.573 -4.256) 8.805 11.454 ( 4.793 1.719 -0.118) 5.093 11.718 ( -8.309 2.725 -6.788) 11.070 12.018 ( -6.007 -1.486 3.511) 7.115 12.416 ( -8.608 -6.628 6.237) 12.527 13.113 ( -9.404 -4.405 3.608) 10.993 13.434 ( -9.249 -2.238 5.994) 11.246 13.615 ( -1.842 -0.936 2.602) 3.323 14.025 ( -4.043 8.696 1.173) 9.661 14.827 ( 6.853 0.250 15.230) 16.702 16.284 ( 13.024 -0.858 -17.534) 21.859 ======================= Grid point 207 (120/156) ======================= q-point: ( 0.20 0.60 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -5.783 7.395 5.781) 11.025 2.476 ( -4.224 0.032 -1.651) 4.536 3.122 ( 9.310 3.573 9.679) 13.897 3.489 ( 3.207 1.130 -7.050) 7.827 3.815 ( 11.090 -4.234 -6.644) 13.603 4.353 ( 0.758 8.683 -20.297) 22.089 4.931 ( 0.203 -10.775 12.074) 16.184 5.386 ( 1.190 -14.098 -1.349) 14.212 5.404 ( -1.926 1.627 7.664) 8.068 5.802 ( -3.622 7.021 -4.098) 8.900 5.941 ( 1.501 2.786 7.449) 8.093 6.523 ( 1.159 -4.715 9.109) 10.322 6.595 ( -1.328 1.834 -1.443) 2.685 6.780 ( 5.078 -1.208 3.931) 6.534 7.743 ( 5.618 1.282 -4.820) 7.513 7.949 ( 5.738 -3.858 -14.969) 16.489 8.589 ( 3.187 0.814 3.946) 5.137 8.672 ( 2.568 2.482 0.405) 3.594 9.130 ( -2.730 -5.479 -1.638) 6.337 9.323 ( -2.776 7.951 4.702) 9.645 9.812 ( 0.072 1.527 -5.375) 5.588 10.076 ( -1.914 2.883 -2.281) 4.145 10.166 ( -1.788 -4.996 5.773) 7.841 10.388 ( -0.470 0.053 3.748) 3.778 10.498 ( -0.012 11.079 -0.864) 11.112 10.765 ( -0.468 1.669 -0.489) 1.801 11.073 ( -9.294 3.269 -8.391) 12.941 11.515 ( -3.578 -0.607 8.606) 9.340 11.786 ( -3.811 -4.939 -0.654) 6.273 12.503 ( 4.157 -9.148 -1.529) 10.164 12.783 ( -4.061 -3.264 0.417) 5.227 13.338 ( -0.713 -9.758 1.043) 9.839 13.658 ( -1.769 3.916 2.138) 4.800 13.847 ( -5.373 4.470 -0.441) 7.003 14.946 ( -7.216 7.123 -0.452) 10.149 16.568 ( 12.135 -1.732 -0.826) 12.285 ======================= Grid point 225 (121/156) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 2.018 3.222 2.724) 4.677 2.618 ( 0.118 -1.143 2.009) 2.314 3.330 ( -0.059 10.326 4.913) 11.435 3.751 ( 0.370 -4.751 -4.784) 6.752 4.171 ( 4.389 4.757 0.574) 6.498 4.358 ( -4.189 -3.381 5.638) 7.795 4.477 ( 3.259 -2.436 -11.945) 12.619 4.809 ( -6.818 -4.371 4.691) 9.359 5.165 ( 5.061 -0.552 1.444) 5.292 5.612 ( -6.290 -3.856 -2.618) 7.828 5.950 ( 1.702 -0.305 0.726) 1.876 6.247 ( -4.216 -4.392 -0.043) 6.088 6.483 ( 3.923 4.485 2.993) 6.668 6.725 ( -2.803 0.664 0.917) 3.023 7.931 ( 5.035 -5.443 -5.390) 9.166 8.175 ( -9.599 0.144 -3.734) 10.301 8.560 ( 3.957 5.280 1.981) 6.889 9.002 ( 1.645 -8.759 3.186) 9.465 9.042 ( 0.045 4.269 -7.078) 8.266 9.392 ( -6.309 -3.840 -0.308) 7.392 9.592 ( 9.152 8.234 3.669) 12.846 10.019 ( -3.887 2.571 3.653) 5.921 10.405 ( 3.022 2.446 1.486) 4.163 10.650 ( -1.585 -1.304 -0.752) 2.186 10.715 ( 3.429 6.181 -1.803) 7.294 11.142 ( 11.211 8.713 9.520) 17.095 11.397 ( -3.126 -7.722 -6.227) 10.401 11.577 ( 0.185 9.190 3.878) 9.977 11.744 ( 4.960 0.037 -4.762) 6.877 12.184 ( 12.807 -13.744 -0.837) 18.804 12.400 ( -21.779 6.980 -5.232) 23.462 13.091 ( -11.779 -17.497 2.236) 21.211 13.892 ( 16.376 16.754 -4.187) 23.799 14.292 ( 4.267 -0.636 4.740) 6.409 14.597 ( -0.175 5.377 9.979) 11.337 15.696 ( -17.711 -17.935 -7.850) 26.400 ======================= Grid point 228 (122/156) ======================= q-point: ( 0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 22.019 12.785 0.000) 25.462 2.399 ( 2.010 6.298 0.000) 6.611 3.341 ( -0.519 -2.333 -0.000) 2.390 3.686 ( -4.976 -5.740 -0.000) 7.597 3.756 ( 8.207 -6.220 0.000) 10.298 4.320 ( 0.536 -8.503 0.000) 8.520 4.827 ( -18.123 7.774 -0.000) 19.720 4.924 ( -6.527 -0.633 -0.000) 6.558 5.627 ( -2.595 -4.476 -0.000) 5.173 5.656 ( 4.605 14.831 0.000) 15.529 6.019 ( 5.056 3.679 0.000) 6.253 6.531 ( -2.994 3.560 -0.000) 4.652 6.665 ( -9.686 -6.906 -0.000) 11.896 6.670 ( -6.454 1.855 -0.000) 6.715 7.784 ( -5.319 -8.467 -0.000) 9.999 7.974 ( 10.539 -3.607 0.000) 11.140 8.687 ( -2.787 -5.913 -0.000) 6.537 8.810 ( 5.252 3.548 0.000) 6.338 8.972 ( 0.821 3.585 0.000) 3.678 9.676 ( 18.184 -5.371 0.000) 18.961 9.785 ( -0.317 -2.282 0.000) 2.304 9.901 ( -4.258 6.177 -0.000) 7.502 10.248 ( 2.882 0.694 0.000) 2.965 10.369 ( -3.908 1.171 -0.000) 4.080 10.621 ( 0.948 12.669 -0.000) 12.704 10.750 ( 3.113 1.680 0.000) 3.537 11.043 ( 12.559 -6.761 0.000) 14.264 11.513 ( -8.740 5.037 -0.000) 10.087 11.741 ( 4.427 -9.648 0.000) 10.615 12.377 ( -9.791 -4.719 -0.000) 10.869 12.782 ( 3.235 -3.856 0.000) 5.034 13.079 ( -11.146 -1.741 -0.000) 11.281 13.721 ( -0.324 8.540 -0.000) 8.546 13.726 ( 4.678 6.706 0.000) 8.177 14.903 ( 5.504 10.410 0.000) 11.775 16.694 ( -11.905 -13.020 -0.000) 17.642 ======================= Grid point 230 (123/156) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -2.927 -3.581 -0.103) 4.627 2.515 ( 2.927 3.581 -0.103) 4.627 3.558 ( -2.800 -9.596 1.725) 10.144 3.558 ( 2.800 9.596 1.725) 10.144 4.268 ( 0.277 -3.179 8.264) 8.859 4.268 ( -0.277 3.179 8.264) 8.859 4.587 ( -3.331 -6.416 -8.150) 10.894 4.587 ( 3.331 6.416 -8.150) 10.894 5.372 ( -6.721 -6.386 -0.051) 9.272 5.372 ( 6.721 6.386 -0.051) 9.272 6.064 ( -3.808 -4.986 -2.111) 6.619 6.064 ( 3.808 4.986 -2.111) 6.619 6.646 ( -3.485 -3.051 2.943) 5.487 6.646 ( 3.485 3.051 2.943) 5.487 7.984 ( -2.808 -3.487 -0.366) 4.492 7.984 ( 2.808 3.487 -0.366) 4.492 8.774 ( -4.186 -7.165 -3.702) 9.086 8.774 ( 4.186 7.165 -3.702) 9.086 9.204 ( -3.206 -4.976 -1.861) 6.205 9.204 ( 3.206 4.976 -1.861) 6.205 9.907 ( -7.395 -3.290 6.257) 10.230 9.907 ( 7.395 3.290 6.257) 10.230 10.536 ( -5.232 -2.110 -4.557) 7.252 10.536 ( 5.232 2.110 -4.557) 7.252 10.955 ( -2.697 -12.984 0.062) 13.261 10.955 ( 2.697 12.984 0.062) 13.261 11.699 ( -4.341 -8.038 6.347) 11.124 11.699 ( 4.341 8.038 6.347) 11.124 11.894 ( -9.025 -12.720 -1.894) 15.711 11.894 ( 9.025 12.720 -1.894) 15.711 12.514 ( -1.856 -20.251 -2.343) 20.471 12.514 ( 1.856 20.251 -2.343) 20.471 14.297 ( 1.984 -6.917 2.110) 7.499 14.297 ( -1.984 6.917 2.110) 7.499 14.979 ( -12.375 -21.501 -1.667) 24.864 14.979 ( 12.375 21.501 -1.667) 24.864 ======================= Grid point 234 (124/156) ======================= q-point: ( 0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 3.360 3.140 0.000) 4.599 2.811 ( 15.196 6.855 0.000) 16.670 3.187 ( -3.484 -8.267 -0.000) 8.971 3.503 ( -3.343 -21.372 0.000) 21.632 3.507 ( -2.437 -3.855 -0.000) 4.561 4.503 ( 7.175 8.453 0.000) 11.088 4.762 ( -3.375 8.498 -0.000) 9.144 4.788 ( -1.187 -2.663 -0.000) 2.916 5.351 ( -10.943 -4.079 -0.000) 11.678 5.974 ( -2.550 14.843 -0.000) 15.060 6.131 ( 2.725 -2.259 0.000) 3.540 6.367 ( -5.000 -1.544 -0.000) 5.233 6.499 ( -5.769 -1.239 -0.000) 5.900 6.597 ( -2.191 0.883 -0.000) 2.362 7.583 ( -1.458 -4.592 -0.000) 4.818 8.062 ( 10.927 -11.950 0.000) 16.192 8.511 ( -4.753 -1.101 -0.000) 4.879 8.882 ( 4.725 -5.901 0.000) 7.559 9.134 ( 5.043 5.852 0.000) 7.725 9.655 ( -0.783 -4.901 0.000) 4.963 9.900 ( -4.435 1.643 -0.000) 4.729 10.053 ( 12.681 1.509 0.000) 12.770 10.336 ( 2.194 1.865 0.000) 2.880 10.405 ( 2.668 5.149 0.000) 5.799 10.777 ( -2.300 -0.300 -0.000) 2.320 10.873 ( 3.099 5.173 0.000) 6.030 11.153 ( 6.539 2.238 0.000) 6.911 11.399 ( -7.309 -2.735 -0.000) 7.804 11.768 ( 5.973 4.478 0.000) 7.465 12.172 ( -7.793 0.887 -0.000) 7.843 12.591 ( -8.036 -6.489 -0.000) 10.329 12.908 ( 1.613 -5.157 0.000) 5.403 13.893 ( -0.495 5.758 -0.000) 5.779 14.010 ( 6.113 11.392 0.000) 12.929 15.226 ( 5.216 13.453 0.000) 14.429 16.082 ( -21.469 -15.597 -0.000) 26.537 ======================= Grid point 239 (125/156) ======================= q-point: ( 0.20 0.80 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 0.873 0.549 0.000) 1.031 2.833 ( -12.963 -3.273 -0.000) 13.370 3.014 ( -2.272 -16.437 0.000) 16.594 3.214 ( 17.757 -3.626 0.000) 18.123 3.505 ( 4.871 2.672 0.000) 5.555 4.337 ( -8.550 -11.329 -0.000) 14.193 4.980 ( 2.769 10.976 0.000) 11.320 4.997 ( 2.767 10.259 0.000) 10.625 5.403 ( 9.783 10.806 0.000) 14.577 5.899 ( -9.643 -6.138 -0.000) 11.431 6.207 ( 2.060 5.799 0.000) 6.154 6.249 ( -6.121 -1.361 -0.000) 6.271 6.522 ( -3.941 -2.288 -0.000) 4.557 6.530 ( 1.384 5.311 0.000) 5.489 7.576 ( 4.345 0.997 0.000) 4.458 7.953 ( 3.199 -9.117 0.000) 9.662 8.538 ( 7.400 -0.715 0.000) 7.434 8.806 ( 3.499 -9.086 0.000) 9.737 9.324 ( 3.230 3.613 0.000) 4.847 9.559 ( -0.137 -4.174 0.000) 4.176 9.767 ( -8.289 -1.808 -0.000) 8.484 10.093 ( -6.170 2.596 -0.000) 6.694 10.461 ( -0.341 -0.967 -0.000) 1.025 10.504 ( 12.559 -15.066 0.000) 19.614 10.670 ( -8.358 3.517 -0.000) 9.068 10.902 ( 0.149 -1.957 0.000) 1.963 11.164 ( -3.484 -5.614 -0.000) 6.608 11.366 ( 3.685 6.894 0.000) 7.817 11.931 ( -9.208 -9.264 -0.000) 13.061 12.192 ( 9.335 19.488 0.000) 21.608 12.515 ( -8.030 17.001 -0.000) 18.802 12.942 ( 12.809 -6.279 0.000) 14.265 13.912 ( -5.281 1.353 -0.000) 5.451 14.242 ( 4.146 -0.009 0.000) 4.146 15.317 ( -26.343 -12.932 -0.000) 29.345 15.673 ( 9.110 18.276 0.000) 20.421 ======================= Grid point 244 (126/156) ======================= q-point: ( 0.20 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 10.860 -0.990 13.087) 17.035 2.634 ( 6.503 2.418 4.280) 8.152 2.947 ( 3.790 -15.074 -0.052) 15.543 3.370 ( -1.813 -10.624 -12.707) 16.662 3.594 ( -7.279 3.601 -0.621) 8.144 4.614 ( 3.280 6.227 -0.385) 7.049 4.737 ( 3.025 -6.757 -7.600) 10.609 5.074 ( -11.366 2.043 -4.679) 12.460 5.348 ( -6.971 -3.790 9.174) 12.129 5.876 ( 5.630 -10.613 4.325) 12.769 5.939 ( 5.486 -2.879 13.408) 14.770 6.455 ( -0.060 0.974 -4.843) 4.940 6.601 ( -6.375 4.052 3.346) 8.262 6.713 ( -0.903 2.389 -1.878) 3.170 7.716 ( 5.530 -4.577 -2.841) 7.720 7.756 ( -5.559 -4.111 -14.716) 16.259 8.533 ( -1.140 -3.152 -0.436) 3.380 8.671 ( 3.596 -4.611 -1.313) 5.993 9.101 ( 0.914 -0.115 5.335) 5.413 9.479 ( 5.182 0.033 4.035) 6.568 9.878 ( 4.407 -1.102 -5.428) 7.078 10.006 ( -3.294 -3.475 0.011) 4.789 10.281 ( 3.712 1.838 2.476) 4.826 10.367 ( -1.679 1.912 3.143) 4.044 10.622 ( 7.039 -3.783 4.023) 8.947 10.925 ( 7.451 3.444 -5.406) 9.829 11.353 ( 1.847 11.734 -5.159) 12.950 11.557 ( -8.816 -1.874 -0.544) 9.029 11.832 ( 2.443 18.046 5.343) 18.978 12.284 ( -9.459 -3.304 1.188) 10.089 12.818 ( -4.975 9.469 -2.549) 10.995 13.034 ( -16.411 1.697 -0.772) 16.517 13.834 ( 6.658 0.037 3.849) 7.690 14.097 ( 5.549 7.170 0.835) 9.105 15.187 ( 7.841 3.279 7.934) 11.627 16.185 ( -10.431 -12.804 -7.998) 18.350 ======================= Grid point 245 (127/156) ======================= q-point: ( 0.20 -0.20 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -10.734 -16.444 -0.000) 19.637 2.542 ( -8.489 -3.418 -0.000) 9.152 3.049 ( 6.646 4.915 0.000) 8.266 3.446 ( 10.387 -1.314 0.000) 10.470 3.816 ( 15.736 6.467 0.000) 17.013 4.021 ( -2.419 -8.744 -0.000) 9.072 5.186 ( -3.051 10.273 -0.000) 10.716 5.216 ( -2.781 11.544 -0.000) 11.874 5.578 ( -4.997 -10.544 -0.000) 11.668 5.845 ( 7.827 8.624 0.000) 11.646 6.063 ( -3.735 -7.846 -0.000) 8.690 6.363 ( 1.733 6.615 0.000) 6.838 6.416 ( -5.302 5.436 -0.000) 7.594 6.682 ( 1.980 6.450 0.000) 6.747 7.732 ( 7.287 0.597 0.000) 7.312 7.924 ( 5.524 -2.638 0.000) 6.121 8.692 ( 11.168 -3.482 0.000) 11.698 8.717 ( 4.321 -6.414 0.000) 7.734 9.296 ( -6.595 -3.064 -0.000) 7.272 9.450 ( -3.623 -6.077 -0.000) 7.075 9.656 ( -2.139 3.421 -0.000) 4.035 10.000 ( -12.084 5.765 -0.000) 13.389 10.155 ( -3.660 -13.027 -0.000) 13.532 10.421 ( 0.861 -2.425 0.000) 2.574 10.654 ( -1.159 -1.315 -0.000) 1.753 10.850 ( -2.195 -1.528 -0.000) 2.675 11.021 ( 2.599 -13.136 0.000) 13.391 11.552 ( 1.648 7.041 0.000) 7.231 11.676 ( -2.905 -1.388 -0.000) 3.219 12.644 ( 4.613 9.648 0.000) 10.694 12.802 ( -4.785 22.737 -0.000) 23.235 13.099 ( 12.723 -9.619 0.000) 15.950 13.752 ( -5.861 -2.678 -0.000) 6.444 14.167 ( 0.910 -11.675 0.000) 11.711 14.692 ( -22.899 1.380 -0.000) 22.941 16.237 ( 11.436 17.380 0.000) 20.805 ======================= Grid point 249 (128/156) ======================= q-point: ( 0.20 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 3.854 -5.467 14.757) 16.202 2.563 ( 7.827 -10.735 12.844) 18.479 2.955 ( 8.360 -2.236 -14.202) 16.630 3.070 ( -4.139 -7.234 -10.052) 13.058 3.626 ( -5.005 10.566 1.394) 11.775 4.400 ( -8.468 -10.148 -12.570) 18.240 4.882 ( 7.470 7.314 13.596) 17.151 5.221 ( -0.268 5.328 2.536) 5.907 5.254 ( 9.589 3.366 3.826) 10.859 5.706 ( 3.770 -13.247 3.342) 14.172 5.988 ( 6.537 -6.932 8.506) 12.772 6.486 ( 3.225 0.048 -11.649) 12.087 6.611 ( -4.749 6.031 0.995) 7.740 6.705 ( -6.737 3.690 -2.321) 8.024 7.576 ( -0.202 -6.052 -1.559) 6.253 7.817 ( 3.092 4.702 -9.580) 11.111 8.486 ( 1.739 -1.052 -2.470) 3.199 8.613 ( 2.091 -6.067 -4.638) 7.918 9.138 ( 4.248 -2.227 12.147) 13.060 9.586 ( 2.494 3.123 -2.413) 4.668 9.764 ( -4.562 -7.773 4.013) 9.866 9.978 ( 8.255 -5.861 -4.256) 10.982 10.263 ( -2.930 0.879 3.425) 4.592 10.403 ( -0.437 -0.930 -1.781) 2.056 10.690 ( 5.173 -1.894 4.675) 7.225 11.029 ( -5.987 -0.492 -3.757) 7.085 11.273 ( -7.450 -5.426 -10.078) 13.657 11.532 ( -3.932 9.165 4.759) 11.050 12.049 ( -8.168 -0.334 -1.866) 8.385 12.340 ( 6.412 15.969 5.610) 18.099 12.842 ( -8.260 9.815 2.812) 13.133 13.034 ( -3.419 17.157 -4.239) 18.001 13.847 ( 0.016 -5.768 5.012) 7.642 14.180 ( -0.943 -5.106 -0.713) 5.241 15.270 ( -4.235 -5.200 16.773) 18.064 15.927 ( 3.873 2.581 -16.197) 16.853 ======================= Grid point 250 (129/156) ======================= q-point: ( 0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -14.272 -6.763 -0.000) 15.794 2.362 ( -8.150 -0.436 -0.000) 8.161 3.252 ( 2.660 4.901 0.000) 5.576 3.578 ( 6.157 -0.537 0.000) 6.181 3.898 ( 2.847 -5.367 0.000) 6.075 4.242 ( 16.133 4.107 0.000) 16.648 5.212 ( -5.600 -2.897 -0.000) 6.305 5.289 ( -12.752 11.283 -0.000) 17.027 5.466 ( 5.627 3.750 0.000) 6.762 5.712 ( -4.681 -19.082 -0.000) 19.647 5.909 ( -3.734 -2.047 -0.000) 4.258 6.471 ( -2.858 4.104 -0.000) 5.001 6.595 ( -4.875 13.479 -0.000) 14.333 6.844 ( 2.664 5.028 0.000) 5.690 7.829 ( 7.214 -3.013 0.000) 7.818 8.011 ( 5.566 -2.159 0.000) 5.970 8.726 ( 2.745 -1.718 0.000) 3.239 8.783 ( 7.774 -7.003 0.000) 10.463 9.146 ( -7.002 -8.513 -0.000) 11.023 9.189 ( -0.244 4.856 -0.000) 4.862 9.719 ( -0.543 4.124 -0.000) 4.159 9.970 ( -0.685 -1.628 -0.000) 1.766 10.105 ( -1.742 17.044 -0.000) 17.133 10.416 ( 1.905 -1.165 0.000) 2.233 10.525 ( 3.352 -12.199 0.000) 12.651 10.756 ( -4.064 -1.726 -0.000) 4.415 10.796 ( -8.685 -2.081 -0.000) 8.931 11.683 ( 0.027 3.281 -0.000) 3.282 11.729 ( 10.722 -2.692 0.000) 11.054 12.721 ( -8.958 -1.230 -0.000) 9.042 12.896 ( 7.618 -17.933 0.000) 19.484 13.130 ( -4.939 18.782 -0.000) 19.421 13.727 ( -0.392 0.971 -0.000) 1.047 13.875 ( -0.711 -17.215 0.000) 17.229 14.521 ( -11.584 13.137 -0.000) 17.515 16.730 ( 10.917 10.054 0.000) 14.841 ======================= Grid point 253 (130/156) ======================= q-point: ( 0.20 0.40 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 6.094 -8.564 22.933) 25.227 1.852 ( 10.177 -7.514 22.592) 25.893 3.126 ( 2.916 4.110 -9.978) 11.178 3.247 ( -2.463 -6.956 -16.140) 17.747 3.610 ( 2.150 -0.821 34.767) 34.843 4.553 ( -1.773 7.601 -2.280) 8.131 4.818 ( -4.723 -6.726 -19.749) 21.391 5.015 ( 4.869 -1.259 4.751) 6.918 5.233 ( 0.490 -0.238 2.530) 2.588 5.309 ( 7.603 -4.460 2.001) 9.038 5.501 ( 9.276 -10.711 5.945) 15.366 6.639 ( 5.138 2.928 -11.008) 12.496 6.786 ( -2.894 -3.476 3.904) 5.975 6.840 ( -4.719 4.706 -0.556) 6.688 7.576 ( -4.803 2.954 -3.328) 6.547 8.333 ( -5.132 10.137 -16.572) 20.092 8.506 ( -3.931 -2.448 -0.608) 4.670 8.619 ( 4.914 1.571 -7.562) 9.154 8.777 ( 5.776 -8.663 -0.953) 10.456 9.429 ( 3.506 -2.413 2.783) 5.085 9.584 ( 6.805 -10.498 1.722) 12.628 10.043 ( -5.770 5.245 -5.048) 9.289 10.266 ( 0.555 1.265 1.851) 2.310 10.362 ( 3.468 -3.609 4.902) 7.006 10.697 ( -6.111 8.546 -0.481) 10.517 11.081 ( -1.870 -3.643 -0.047) 4.096 11.334 ( 4.987 -4.369 -1.259) 6.749 11.790 ( -4.657 3.823 -9.715) 11.432 12.075 ( -0.470 -0.978 8.108) 8.181 12.543 ( -8.570 13.232 2.362) 15.941 13.180 ( -7.856 12.911 7.345) 16.804 13.546 ( -6.309 -1.888 -0.028) 6.585 13.644 ( -3.757 15.945 6.422) 17.596 14.111 ( -4.880 -5.700 1.866) 7.733 14.760 ( 8.468 -7.402 18.043) 21.262 16.092 ( 8.995 -8.293 -18.349) 22.054 ======================= Grid point 254 (131/156) ======================= q-point: ( 0.20 0.60 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -3.459 -9.709 7.633) 12.826 2.627 ( -6.050 -3.430 5.447) 8.834 2.864 ( 10.876 -0.417 -0.272) 10.888 3.291 ( 12.490 2.699 -10.436) 16.498 3.745 ( -0.353 4.045 2.907) 4.993 4.192 ( -1.243 2.375 -21.098) 21.267 5.120 ( 3.726 -5.901 19.778) 20.973 5.269 ( 0.252 5.941 9.294) 11.033 5.537 ( 7.596 2.975 0.161) 8.159 5.653 ( 7.809 -2.485 -0.664) 8.221 5.896 ( 1.859 -7.428 5.293) 9.308 6.534 ( -0.742 -0.272 -6.741) 6.787 6.626 ( -2.921 2.418 0.029) 3.792 6.684 ( 0.291 4.255 -1.371) 4.480 7.566 ( 6.315 -0.441 2.222) 6.709 7.950 ( 2.892 0.495 -14.505) 14.798 8.529 ( 2.633 -0.736 1.630) 3.183 8.585 ( 3.785 -0.801 -5.369) 6.618 9.162 ( 3.062 -2.662 10.337) 11.105 9.476 ( -8.228 -4.080 -0.423) 9.193 9.737 ( 4.524 0.727 -3.455) 5.739 10.017 ( 4.407 -2.672 -4.099) 6.585 10.268 ( -3.484 6.696 2.373) 7.912 10.329 ( -4.553 -0.438 4.889) 6.695 10.645 ( -5.394 -13.193 -1.311) 14.313 10.747 ( -1.177 0.530 0.918) 1.585 11.158 ( -7.535 4.018 -10.511) 13.543 11.590 ( -5.744 5.565 10.631) 13.303 11.924 ( -6.519 0.291 -5.604) 8.601 12.524 ( 5.485 -3.912 -0.468) 6.753 12.982 ( -7.297 7.467 6.730) 12.422 13.293 ( -2.807 12.155 -1.438) 12.558 13.713 ( -1.074 -1.390 5.636) 5.903 13.931 ( -2.843 -11.699 -2.443) 12.284 15.021 ( -9.327 -0.035 4.822) 10.500 16.263 ( 13.304 6.644 -6.172) 16.100 ======================= Grid point 255 (132/156) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -14.352 13.049 -0.000) 19.398 2.368 ( -7.221 1.015 -0.000) 7.292 3.323 ( 2.658 2.375 0.000) 3.565 3.619 ( 4.367 4.905 0.000) 6.567 3.791 ( 4.554 -5.558 0.000) 7.185 4.302 ( 14.023 1.896 0.000) 14.150 5.075 ( -1.203 -8.569 0.000) 8.653 5.255 ( -6.153 -24.381 -0.000) 25.145 5.509 ( -13.730 9.971 -0.000) 16.969 5.585 ( 3.925 5.693 0.000) 6.915 5.935 ( -4.693 3.249 -0.000) 5.708 6.532 ( -4.618 1.921 -0.000) 5.002 6.741 ( -6.509 0.933 -0.000) 6.576 6.843 ( 7.542 -5.589 0.000) 9.387 7.828 ( 6.537 3.826 0.000) 7.575 7.915 ( 7.509 -7.195 0.000) 10.400 8.709 ( 4.246 -0.337 0.000) 4.259 8.729 ( 0.057 1.739 -0.000) 1.740 9.011 ( -4.683 -4.769 -0.000) 6.684 9.362 ( 4.009 12.931 0.000) 13.538 9.778 ( 1.338 1.714 0.000) 2.175 9.958 ( -5.747 -0.769 -0.000) 5.798 10.270 ( 3.424 -5.640 0.000) 6.598 10.407 ( 0.084 -0.333 0.000) 0.344 10.498 ( -0.749 13.658 -0.000) 13.678 10.723 ( -2.989 -0.762 -0.000) 3.085 10.826 ( -5.398 5.749 -0.000) 7.886 11.676 ( -4.548 -5.325 -0.000) 7.003 11.697 ( 9.901 -0.153 0.000) 9.902 12.555 ( 2.002 -10.115 0.000) 10.311 12.754 ( 0.454 -1.006 0.000) 1.104 13.322 ( -2.455 -5.918 -0.000) 6.407 13.627 ( -3.113 -0.561 -0.000) 3.163 13.734 ( -4.245 -0.397 -0.000) 4.264 14.750 ( -9.237 10.082 -0.000) 13.674 16.821 ( 11.886 -0.952 0.000) 11.924 ======================= Grid point 258 (133/156) ======================= q-point: ( 0.25 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 2.902 0.163 23.939) 24.114 1.811 ( 13.338 -0.226 23.953) 27.418 3.121 ( -5.198 -2.391 -10.790) 12.213 3.250 ( 5.122 3.311 -14.828) 16.033 3.584 ( 6.194 -0.624 43.053) 43.501 4.619 ( -8.479 -3.249 -5.004) 10.368 4.799 ( -0.323 5.668 -20.745) 21.508 4.983 ( 7.668 -1.896 3.181) 8.515 5.210 ( 2.385 0.937 0.527) 2.616 5.315 ( 6.837 -6.807 5.494) 11.103 5.345 ( 8.849 5.386 3.245) 10.856 6.610 ( 0.210 -2.253 -11.776) 11.992 6.792 ( 3.171 1.862 5.287) 6.441 6.891 ( -5.620 0.001 -1.186) 5.744 7.627 ( -8.360 0.463 -4.705) 9.604 8.415 ( -8.791 -2.716 -15.588) 18.101 8.516 ( -1.216 4.421 0.417) 4.604 8.602 ( 2.054 -4.533 -10.007) 11.176 8.704 ( 9.532 2.007 -1.821) 9.910 9.413 ( 4.265 -0.107 3.039) 5.238 9.464 ( 9.281 0.936 2.068) 9.555 10.118 ( -3.828 0.758 -10.054) 10.785 10.276 ( 0.698 -2.485 6.103) 6.626 10.309 ( 3.314 1.428 3.331) 4.910 10.779 ( -15.333 -1.307 3.165) 15.711 11.053 ( -1.160 2.643 -1.951) 3.483 11.290 ( 10.771 -0.676 1.429) 10.886 11.822 ( -2.162 0.010 -14.345) 14.507 12.076 ( -1.765 0.610 12.321) 12.462 12.659 ( -11.541 -1.004 -0.501) 11.595 13.321 ( -11.669 -4.848 5.918) 13.953 13.487 ( 1.922 5.913 3.384) 7.079 13.845 ( -18.954 -9.136 4.744) 21.569 14.098 ( -3.421 9.244 1.998) 10.057 14.646 ( 11.679 -1.244 17.940) 21.442 15.996 ( 15.229 -0.218 -16.368) 22.358 ======================= Grid point 259 (134/156) ======================= q-point: ( 0.25 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -0.654 3.280 11.113) 11.606 2.581 ( -6.042 -0.433 2.483) 6.546 2.886 ( 14.523 2.316 4.270) 15.314 3.353 ( 10.522 2.907 -11.900) 16.149 3.720 ( -2.757 -5.109 -0.798) 5.860 4.371 ( -1.506 13.970 -18.526) 23.252 4.897 ( 2.971 -12.779 12.571) 18.170 5.342 ( 3.504 -10.832 2.793) 11.722 5.413 ( 1.538 -1.644 4.769) 5.274 5.744 ( 8.565 7.411 -2.323) 11.562 5.853 ( 8.165 2.350 14.312) 16.644 6.486 ( 1.744 -3.120 -5.673) 6.705 6.670 ( -4.904 1.030 -2.509) 5.604 6.717 ( -0.166 -0.732 4.989) 5.045 7.603 ( 7.375 4.325 -1.271) 8.643 7.893 ( 0.144 -6.118 -16.404) 17.508 8.537 ( 2.630 0.767 0.557) 2.796 8.606 ( 3.757 2.626 -2.307) 5.131 9.116 ( 3.589 -1.910 6.832) 7.950 9.420 ( -5.991 -0.243 2.093) 6.351 9.785 ( 3.509 4.273 -5.760) 7.984 10.032 ( 6.164 2.154 -3.554) 7.434 10.281 ( -10.184 -4.625 6.154) 12.766 10.395 ( -0.225 2.380 4.285) 4.907 10.495 ( 1.214 1.762 -0.536) 2.206 10.788 ( -2.879 4.960 -3.559) 6.749 11.267 ( -10.453 6.036 -7.213) 14.061 11.649 ( -5.281 0.198 7.731) 9.365 11.872 ( -7.354 -5.118 -1.713) 9.122 12.435 ( 1.172 -5.515 0.455) 5.656 12.940 ( -11.076 -7.422 1.419) 13.408 13.369 ( -3.800 -12.499 1.806) 13.188 13.674 ( 0.357 6.033 2.395) 6.500 13.949 ( -5.064 9.136 0.168) 10.447 15.060 ( -4.037 4.388 5.000) 7.781 16.310 ( 14.555 -2.053 -6.131) 15.926 ======================= Grid point 285 (135/156) ======================= q-point: ( 0.25 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 20.445 5.968 0.000) 21.298 2.465 ( 2.109 2.076 0.000) 2.959 3.256 ( -1.233 -4.714 -0.000) 4.873 3.518 ( 1.426 -18.405 0.000) 18.460 3.590 ( -5.649 -3.683 -0.000) 6.744 4.325 ( 10.013 8.258 0.000) 12.979 4.870 ( -7.329 -5.293 -0.000) 9.040 4.945 ( -15.499 4.668 -0.000) 16.187 5.537 ( -5.836 -4.818 -0.000) 7.567 5.905 ( 8.032 7.216 0.000) 10.798 6.079 ( 3.252 4.372 0.000) 5.449 6.490 ( -8.229 -6.639 -0.000) 10.574 6.621 ( 0.077 1.558 -0.000) 1.560 6.682 ( -10.946 -0.479 -0.000) 10.956 7.652 ( -5.245 -4.974 -0.000) 7.228 7.840 ( 10.665 -8.929 0.000) 13.909 8.602 ( -3.141 -3.220 -0.000) 4.498 8.775 ( 5.798 -5.961 0.000) 8.316 9.072 ( 0.629 6.304 -0.000) 6.335 9.592 ( 9.878 -5.031 0.000) 11.085 9.795 ( 6.722 3.081 0.000) 7.395 9.991 ( -5.944 2.864 -0.000) 6.598 10.295 ( 7.577 2.680 0.000) 8.037 10.386 ( -3.301 0.836 -0.000) 3.405 10.757 ( 11.036 -1.567 0.000) 11.147 10.782 ( 1.952 1.834 0.000) 2.678 11.051 ( 3.204 10.185 0.000) 10.677 11.581 ( -11.247 1.420 -0.000) 11.336 11.657 ( 4.257 2.937 0.000) 5.172 12.333 ( -8.053 -1.050 -0.000) 8.122 12.698 ( -3.915 -1.676 -0.000) 4.259 13.039 ( -13.976 -2.058 -0.000) 14.127 13.835 ( 6.466 4.154 0.000) 7.685 13.920 ( 3.759 10.641 0.000) 11.286 15.098 ( 7.810 9.506 0.000) 12.302 16.420 ( -12.813 -15.141 -0.000) 19.835 ======================= Grid point 290 (136/156) ======================= q-point: (-0.75 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 3.833 4.952 0.000) 6.263 2.835 ( 20.211 -4.017 0.000) 20.606 3.064 ( -9.616 -4.582 -0.000) 10.652 3.071 ( -2.751 -22.381 0.000) 22.550 3.493 ( -2.688 3.163 -0.000) 4.151 4.518 ( -10.240 -9.866 -0.000) 14.220 4.845 ( 13.716 11.176 0.000) 17.693 4.930 ( 0.587 8.929 -0.000) 8.949 5.321 ( -2.736 0.857 -0.000) 2.867 5.998 ( 1.827 -10.899 0.000) 11.051 6.209 ( -1.970 7.844 -0.000) 8.087 6.330 ( -1.977 -3.683 -0.000) 4.180 6.530 ( -3.343 4.225 -0.000) 5.388 6.603 ( -4.078 0.748 -0.000) 4.146 7.542 ( -0.703 0.088 -0.000) 0.708 7.841 ( 7.830 -9.456 0.000) 12.278 8.490 ( -1.453 -1.430 -0.000) 2.038 8.723 ( 4.723 -9.256 0.000) 10.391 9.257 ( 3.513 6.713 0.000) 7.577 9.543 ( 1.723 -6.087 0.000) 6.326 9.892 ( -5.739 -1.978 -0.000) 6.070 10.047 ( 11.554 -2.982 0.000) 11.933 10.343 ( -0.106 -1.525 0.000) 1.529 10.430 ( 4.509 -3.057 0.000) 5.448 10.833 ( -6.105 6.621 -0.000) 9.006 10.847 ( 6.155 -4.802 0.000) 7.807 11.321 ( -10.552 -5.858 -0.000) 12.069 11.331 ( 0.284 13.216 -0.000) 13.219 12.016 ( 8.441 19.814 0.000) 21.537 12.102 ( -9.281 -5.984 -0.000) 11.043 12.668 ( -7.193 12.433 -0.000) 14.364 12.825 ( -2.138 -2.671 -0.000) 3.421 13.958 ( 0.837 0.438 0.000) 0.945 14.171 ( 3.150 4.502 0.000) 5.494 15.478 ( 10.925 12.349 0.000) 16.488 15.781 ( -20.861 -15.132 -0.000) 25.771 ======================= Grid point 296 (137/156) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -8.739 -14.442 -0.000) 16.881 2.720 ( -9.436 -7.160 -0.000) 11.845 2.901 ( 8.126 3.316 0.000) 8.776 3.165 ( 17.923 -1.799 0.000) 18.013 3.625 ( 3.760 9.419 0.000) 10.142 4.102 ( -6.181 -12.248 -0.000) 13.719 5.195 ( 2.623 10.927 0.000) 11.238 5.215 ( 2.358 12.024 -0.000) 12.253 5.605 ( 14.896 8.794 0.000) 17.299 5.678 ( -4.623 -14.695 -0.000) 15.405 6.153 ( -3.578 -9.866 -0.000) 10.495 6.331 ( 1.351 5.720 0.000) 5.877 6.532 ( -6.661 4.956 -0.000) 8.302 6.627 ( 2.882 3.620 0.000) 4.627 7.618 ( 4.269 2.548 0.000) 4.971 7.818 ( 5.374 -4.925 0.000) 7.289 8.525 ( 5.838 -0.237 0.000) 5.843 8.632 ( 4.179 -7.821 0.000) 8.868 9.390 ( -2.426 2.701 -0.000) 3.630 9.466 ( 1.000 -5.190 0.000) 5.285 9.712 ( -3.969 -3.040 -0.000) 5.000 10.119 ( 4.285 -4.242 0.000) 6.030 10.229 ( -5.257 -5.879 -0.000) 7.887 10.406 ( 1.119 -2.908 0.000) 3.116 10.768 ( -11.171 1.863 -0.000) 11.325 10.845 ( 2.922 -4.239 0.000) 5.149 11.011 ( -3.996 -6.705 -0.000) 7.806 11.559 ( -1.846 11.875 -0.000) 12.017 11.823 ( -9.862 -2.276 -0.000) 10.122 12.518 ( 7.116 8.875 0.000) 11.376 12.890 ( -4.339 20.367 -0.000) 20.824 12.895 ( 6.901 5.116 0.000) 8.591 13.863 ( -4.541 -5.809 -0.000) 7.373 14.150 ( 0.332 -9.452 0.000) 9.458 15.129 ( -21.520 -6.283 -0.000) 22.418 15.994 ( 13.812 14.290 0.000) 19.875 ======================= Grid point 301 (138/156) ======================= q-point: ( 0.25 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 12.154 -1.765 14.296) 18.847 2.508 ( 0.524 -16.622 16.876) 23.694 2.806 ( 4.789 3.752 -12.395) 13.807 3.175 ( -3.213 -8.685 -9.191) 13.047 3.751 ( -6.969 11.185 -0.902) 13.209 4.558 ( -5.164 -10.043 -11.433) 16.069 4.723 ( 8.008 4.345 10.307) 13.757 5.119 ( -0.609 1.651 0.037) 1.760 5.295 ( -5.081 -1.154 5.759) 7.766 5.609 ( 5.650 -15.398 6.847) 17.774 5.818 ( 10.133 -9.050 9.075) 16.337 6.418 ( 3.021 -4.841 -13.451) 14.611 6.718 ( -5.223 7.271 2.158) 9.209 6.801 ( -2.625 5.524 -1.259) 6.244 7.562 ( 2.092 -5.152 -0.453) 5.579 7.830 ( -4.236 5.989 -14.912) 16.619 8.473 ( -0.081 -2.683 -2.299) 3.534 8.576 ( 1.982 -5.095 -5.499) 7.754 9.061 ( 3.120 -3.052 14.057) 14.719 9.511 ( 3.168 1.426 1.182) 3.670 9.813 ( 8.305 -6.491 -5.557) 11.916 9.866 ( -3.767 -7.637 -2.242) 8.806 10.322 ( -3.817 1.107 4.079) 5.695 10.428 ( -2.394 4.812 -0.800) 5.434 10.565 ( 6.525 -0.945 1.808) 6.837 11.026 ( 5.731 6.182 -2.729) 8.860 11.430 ( -7.029 -8.578 -2.243) 11.315 11.555 ( 0.548 7.008 -4.533) 8.364 12.192 ( 2.714 9.193 6.100) 11.361 12.296 ( -10.078 10.559 2.026) 14.736 13.028 ( -7.285 11.770 2.081) 13.998 13.204 ( -16.343 16.545 -1.805) 23.325 13.785 ( 6.474 -4.784 3.692) 8.857 14.187 ( 1.668 1.491 1.090) 2.489 15.199 ( 8.573 -2.143 14.770) 17.211 15.945 ( -3.908 -11.518 -14.746) 19.115 ======================= Grid point 302 (139/156) ======================= q-point: ( 0.25 -0.25 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -11.927 -5.957 -0.000) 13.332 2.478 ( -4.993 -2.753 -0.000) 5.702 3.148 ( 6.995 4.942 0.000) 8.565 3.439 ( 10.551 0.723 0.000) 10.576 3.857 ( 0.907 -7.977 0.000) 8.028 3.962 ( 10.721 8.327 0.000) 13.575 5.296 ( -2.737 -8.560 -0.000) 8.987 5.424 ( -0.651 4.587 -0.000) 4.633 5.455 ( -3.763 12.662 -0.000) 13.209 5.762 ( 0.361 -19.795 0.000) 19.799 5.951 ( -1.359 2.801 -0.000) 3.114 6.487 ( 1.353 5.885 0.000) 6.038 6.653 ( -1.025 13.993 -0.000) 14.031 6.752 ( 6.226 -0.163 0.000) 6.228 7.712 ( 4.667 -2.449 0.000) 5.271 7.868 ( 7.760 -3.784 0.000) 8.633 8.630 ( 5.653 -2.167 0.000) 6.054 8.649 ( 6.300 -0.502 0.000) 6.320 9.270 ( -6.990 1.286 -0.000) 7.107 9.294 ( -6.060 -9.383 -0.000) 11.170 9.713 ( 1.219 2.348 0.000) 2.645 9.989 ( -1.627 -0.548 -0.000) 1.717 10.196 ( -6.146 10.926 -0.000) 12.536 10.394 ( 0.382 0.132 0.000) 0.404 10.503 ( -1.481 -12.670 0.000) 12.756 10.800 ( -0.106 -3.220 0.000) 3.221 10.925 ( -4.867 1.948 -0.000) 5.242 11.649 ( -3.186 -1.542 -0.000) 3.540 11.709 ( -2.657 7.365 -0.000) 7.830 12.671 ( 10.112 -6.916 0.000) 12.251 12.919 ( -7.382 -7.922 -0.000) 10.829 13.212 ( -3.440 18.310 -0.000) 18.630 13.750 ( -1.654 3.231 -0.000) 3.629 13.877 ( 0.098 -17.126 0.000) 17.126 14.784 ( -14.766 6.920 -0.000) 16.307 16.496 ( 13.352 8.831 0.000) 16.008 ======================= Grid point 306 (140/156) ======================= q-point: ( 0.25 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -0.157 -11.700 12.203) 16.906 2.510 ( 16.194 -0.515 16.561) 23.168 2.858 ( -8.256 -6.083 -10.042) 14.353 3.069 ( 8.599 4.843 -9.575) 13.751 3.836 ( -7.605 8.748 3.304) 12.053 4.254 ( -5.161 -2.400 -20.610) 21.381 4.984 ( 9.764 -0.718 24.922) 26.776 5.234 ( 3.489 1.169 7.562) 8.409 5.362 ( 8.624 2.704 0.827) 9.076 5.499 ( 7.787 -4.766 -1.010) 9.185 5.796 ( 7.976 -11.374 6.070) 15.160 6.446 ( 7.779 -3.526 -18.196) 20.100 6.720 ( -6.431 4.769 0.314) 8.012 6.777 ( -7.392 3.112 1.752) 8.209 7.502 ( 0.336 -1.187 3.291) 3.514 7.921 ( -0.007 3.980 -16.450) 16.925 8.483 ( 2.467 0.746 -1.945) 3.229 8.522 ( 2.502 -2.906 -6.157) 7.253 9.080 ( 4.494 -3.244 15.096) 16.081 9.607 ( 1.411 -5.688 4.320) 7.281 9.631 ( 0.286 -0.898 -4.429) 4.529 9.891 ( 7.028 -1.554 -7.654) 10.507 10.305 ( -1.185 3.405 2.666) 4.484 10.439 ( -4.674 3.156 1.537) 5.845 10.629 ( 1.907 -3.444 2.551) 4.691 10.912 ( -10.911 -8.463 -4.068) 14.395 11.296 ( -4.293 5.961 -6.406) 9.747 11.658 ( -0.448 2.929 3.521) 4.602 12.059 ( -8.967 1.058 0.210) 9.032 12.492 ( -1.106 2.583 0.964) 2.970 13.148 ( -9.527 14.882 6.983) 19.000 13.363 ( -5.099 12.757 -2.498) 13.963 13.742 ( -1.380 -0.588 5.983) 6.168 14.002 ( -5.151 -11.599 -2.125) 12.868 15.150 ( -3.066 -6.023 12.846) 14.515 15.989 ( 14.233 2.698 -12.961) 19.439 ======================= Grid point 307 (141/156) ======================= q-point: ( 0.30 -0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -9.649 10.489 -0.000) 14.252 2.447 ( -2.574 -0.363 -0.000) 2.599 3.231 ( 5.584 3.272 0.000) 6.472 3.473 ( 13.421 2.543 0.000) 13.660 3.713 ( 2.889 -6.903 0.000) 7.483 4.135 ( 1.797 9.447 -0.000) 9.616 5.062 ( 2.013 -11.956 0.000) 12.124 5.327 ( -1.623 -22.330 0.000) 22.389 5.547 ( 0.729 4.208 -0.000) 4.270 5.706 ( -4.933 11.812 -0.000) 12.801 6.010 ( -3.744 3.448 -0.000) 5.090 6.581 ( 1.615 3.334 0.000) 3.705 6.668 ( 7.890 -7.780 0.000) 11.081 6.813 ( 0.056 0.232 0.000) 0.239 7.696 ( 5.900 2.930 0.000) 6.588 7.768 ( 6.703 -6.155 0.000) 9.100 8.621 ( 4.172 0.380 0.000) 4.189 8.679 ( 4.720 3.556 0.000) 5.910 9.130 ( -6.394 -6.415 -0.000) 9.057 9.372 ( -3.070 9.380 -0.000) 9.870 9.746 ( 1.550 1.236 0.000) 1.983 10.050 ( -1.980 3.800 -0.000) 4.285 10.251 ( -2.040 -7.404 -0.000) 7.680 10.413 ( -0.990 0.673 -0.000) 1.197 10.480 ( 0.949 14.860 -0.000) 14.890 10.755 ( -0.093 -0.503 0.000) 0.511 10.992 ( -9.701 3.625 -0.000) 10.356 11.625 ( -3.787 -0.442 -0.000) 3.813 11.756 ( -2.994 -4.091 -0.000) 5.070 12.487 ( 4.452 -8.973 0.000) 10.017 12.787 ( -5.216 -5.803 -0.000) 7.803 13.347 ( -0.727 -11.741 0.000) 11.763 13.681 ( -2.118 4.999 -0.000) 5.429 13.840 ( -5.929 4.790 -0.000) 7.622 14.936 ( -9.610 8.458 -0.000) 12.802 16.565 ( 14.543 -1.947 0.000) 14.673 ======================= Grid point 310 (142/156) ======================= q-point: ( 0.30 0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -0.000 0.000 24.943) 24.943 1.665 ( -0.000 0.000 24.943) 24.943 3.201 ( 0.000 -0.000 -14.781) 14.781 3.201 ( 0.000 -0.000 -14.781) 14.781 3.493 ( -0.000 0.000 56.290) 56.290 4.802 ( 0.000 -0.000 -20.809) 20.809 4.802 ( 0.000 -0.000 -20.809) 20.809 4.821 ( -0.000 0.000 13.243) 13.243 5.208 ( -0.000 0.000 0.238) 0.238 5.236 ( -0.000 0.000 4.542) 4.542 5.236 ( -0.000 0.000 4.542) 4.542 6.590 ( 0.000 -0.000 -16.647) 16.647 6.773 ( -0.000 0.000 10.894) 10.894 6.950 ( 0.000 -0.000 -1.351) 1.351 7.731 ( 0.000 -0.000 -8.328) 8.328 8.538 ( 0.000 -0.000 -8.146) 8.146 8.538 ( 0.000 -0.000 -8.146) 8.146 8.572 ( -0.000 0.000 18.390) 18.390 8.575 ( 0.000 -0.000 -30.223) 30.223 9.360 ( -0.000 0.000 3.458) 3.458 9.360 ( -0.000 0.000 3.458) 3.458 10.176 ( 0.000 -0.000 -14.529) 14.529 10.266 ( -0.000 0.000 6.208) 6.208 10.266 ( -0.000 0.000 6.208) 6.208 11.057 ( -0.000 0.000 3.767) 3.767 11.058 ( -0.000 0.000 1.418) 1.418 11.058 ( -0.000 0.000 1.418) 1.418 11.833 ( 0.000 -0.000 -17.900) 17.900 12.097 ( -0.000 0.000 15.547) 15.547 12.776 ( 0.000 -0.000 -2.488) 2.488 13.459 ( -0.000 0.000 2.062) 2.062 13.459 ( -0.000 0.000 2.062) 2.062 14.139 ( -0.000 0.000 2.318) 2.318 14.139 ( -0.000 0.000 2.318) 2.318 14.447 ( -0.000 0.000 22.001) 22.001 15.813 ( 0.000 -0.000 -12.449) 12.449 ======================= Grid point 311 (143/156) ======================= q-point: ( 0.30 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 1.565 1.224 13.285) 13.433 2.504 ( 17.249 -0.030 17.597) 24.642 2.777 ( -7.470 -1.673 -10.082) 12.659 3.167 ( 7.654 3.732 -8.802) 12.247 3.868 ( -11.248 -4.194 -0.632) 12.021 4.388 ( -0.124 13.769 -17.978) 22.645 4.822 ( 4.934 -11.599 19.242) 23.003 5.240 ( 6.745 -7.667 4.442) 11.136 5.343 ( 5.531 2.023 3.958) 7.096 5.539 ( 10.472 1.932 1.503) 10.754 5.657 ( 10.963 2.233 9.840) 14.899 6.394 ( 7.697 -0.941 -17.856) 19.467 6.776 ( -6.743 0.112 1.329) 6.874 6.812 ( -7.107 0.793 1.863) 7.390 7.515 ( 0.985 2.043 2.016) 3.034 7.924 ( -3.040 -3.623 -18.360) 18.959 8.481 ( 2.953 -0.725 -2.954) 4.239 8.529 ( 4.250 2.615 -4.886) 6.984 9.035 ( 3.752 -0.713 15.382) 15.849 9.506 ( -1.680 -2.989 1.074) 3.593 9.671 ( 7.864 5.211 -1.843) 9.612 9.894 ( 6.091 0.396 -9.569) 11.350 10.384 ( 0.769 2.581 3.931) 4.765 10.435 ( 2.621 -1.770 2.104) 3.799 10.550 ( -14.187 -5.118 3.937) 15.587 10.881 ( -6.215 6.239 -6.128) 10.729 11.419 ( -2.460 5.649 -2.447) 6.630 11.630 ( 3.771 -5.288 -2.419) 6.931 12.105 ( -13.325 3.895 4.452) 14.579 12.479 ( -5.377 -4.952 1.085) 7.390 13.174 ( -12.425 -8.112 2.673) 15.078 13.523 ( -10.766 -3.680 3.306) 11.848 13.651 ( -0.098 -3.090 1.291) 3.350 14.044 ( -4.757 12.971 0.773) 13.838 15.085 ( 1.741 0.907 11.420) 11.588 16.005 ( 16.578 -1.368 -11.752) 20.367 ======================= Grid point 343 (144/156) ======================= q-point: (-0.70 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 16.828 -1.695 0.000) 16.913 2.530 ( 2.242 5.366 0.000) 5.816 3.106 ( -0.960 -22.659 0.000) 22.680 3.172 ( -1.431 -4.273 -0.000) 4.506 3.581 ( -5.754 3.472 -0.000) 6.720 4.520 ( 18.157 6.462 0.000) 19.273 4.744 ( -13.059 -3.780 -0.000) 13.595 5.022 ( -10.825 3.586 -0.000) 11.403 5.441 ( -7.011 -4.875 -0.000) 8.539 5.884 ( 8.371 -7.231 0.000) 11.062 6.173 ( 5.596 1.500 0.000) 5.794 6.346 ( -0.700 -9.198 0.000) 9.224 6.660 ( -1.396 3.352 -0.000) 3.631 6.679 ( -9.237 1.405 -0.000) 9.343 7.591 ( -3.958 -1.309 -0.000) 4.169 7.691 ( 6.538 -5.304 0.000) 8.419 8.538 ( -2.224 -3.667 -0.000) 4.289 8.635 ( 4.019 -7.521 0.000) 8.527 9.203 ( 1.306 6.777 -0.000) 6.901 9.488 ( 3.920 -5.059 0.000) 6.399 9.824 ( 8.887 -1.388 0.000) 8.995 10.010 ( -5.340 -2.110 -0.000) 5.742 10.306 ( 5.770 0.078 0.000) 5.770 10.399 ( -3.742 -0.030 -0.000) 3.742 10.673 ( 10.840 -5.133 0.000) 11.994 10.849 ( 4.177 5.746 0.000) 7.104 11.306 ( 3.318 13.383 0.000) 13.788 11.551 ( -12.468 -4.793 -0.000) 13.357 11.885 ( 4.672 18.964 0.000) 19.531 12.298 ( -9.881 -1.804 -0.000) 10.044 12.793 ( -6.456 10.755 -0.000) 12.544 13.025 ( -17.082 1.841 -0.000) 17.181 13.875 ( 7.602 -0.255 0.000) 7.607 14.102 ( 4.856 7.633 0.000) 9.046 15.263 ( 10.522 7.258 0.000) 12.783 16.108 ( -12.451 -16.898 -0.000) 20.989 ======================= Grid point 349 (145/156) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -5.344 -15.617 -0.000) 16.506 2.722 ( 16.267 -6.355 0.000) 17.465 2.751 ( 6.736 4.543 0.000) 8.125 2.975 ( -5.736 -4.728 -0.000) 7.433 3.628 ( -3.177 10.311 -0.000) 10.789 4.260 ( -9.583 -14.459 -0.000) 17.347 5.105 ( 10.957 14.041 0.000) 17.810 5.111 ( 4.382 9.689 0.000) 10.634 5.364 ( 6.131 3.146 0.000) 6.891 5.724 ( 0.421 -16.691 0.000) 16.696 6.168 ( 1.969 -12.976 0.000) 13.125 6.272 ( 6.304 -1.190 0.000) 6.415 6.631 ( -4.493 5.410 -0.000) 7.032 6.670 ( -6.922 5.992 -0.000) 9.155 7.570 ( 0.617 2.277 0.000) 2.359 7.718 ( 4.772 -3.343 0.000) 5.827 8.461 ( 1.105 -1.225 0.000) 1.650 8.559 ( 3.322 -6.956 0.000) 7.708 9.383 ( 2.576 5.762 0.000) 6.312 9.436 ( 1.738 -4.800 0.000) 5.105 9.811 ( -5.289 -7.041 -0.000) 8.806 9.942 ( 11.200 -7.014 0.000) 13.215 10.311 ( -3.454 -0.763 -0.000) 3.537 10.374 ( 1.610 0.157 0.000) 1.617 10.740 ( 7.423 -5.604 0.000) 9.301 10.987 ( -7.771 5.828 -0.000) 9.714 11.170 ( -11.170 -7.283 -0.000) 13.335 11.578 ( 0.962 10.535 -0.000) 10.579 12.033 ( -12.273 -0.613 -0.000) 12.288 12.390 ( 6.314 12.942 0.000) 14.401 12.891 ( -7.799 13.426 -0.000) 15.527 12.972 ( -4.093 17.505 -0.000) 17.978 13.903 ( 0.824 -5.849 0.000) 5.906 14.167 ( -1.994 -5.165 -0.000) 5.536 15.506 ( -16.848 -12.887 -0.000) 21.211 15.697 ( 16.608 9.892 0.000) 19.331 ======================= Grid point 355 (146/156) ======================= q-point: ( 0.30 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -7.064 -7.903 -0.000) 10.600 2.591 ( -6.722 -5.527 -0.000) 8.702 3.012 ( 6.377 6.785 0.000) 9.311 3.136 ( 18.945 -1.229 0.000) 18.985 3.859 ( 1.016 14.367 -0.000) 14.403 3.881 ( -3.680 -10.280 -0.000) 10.919 5.331 ( -1.042 -9.890 0.000) 9.945 5.425 ( 2.089 1.569 0.000) 2.612 5.448 ( 3.426 10.923 0.000) 11.448 5.665 ( 9.644 -6.655 0.000) 11.717 5.961 ( 1.187 -3.325 0.000) 3.530 6.408 ( 7.750 1.583 0.000) 7.910 6.655 ( 1.451 -0.117 0.000) 1.456 6.681 ( -3.369 8.384 -0.000) 9.035 7.642 ( 2.741 -0.575 0.000) 2.801 7.746 ( 4.559 -3.187 0.000) 5.562 8.536 ( 5.276 1.321 0.000) 5.439 8.536 ( 3.898 -1.630 0.000) 4.225 9.354 ( -0.756 -6.466 0.000) 6.510 9.408 ( -5.862 -0.536 -0.000) 5.887 9.681 ( 1.710 0.232 0.000) 1.725 9.976 ( 4.548 -3.933 0.000) 6.013 10.292 ( -3.194 6.972 -0.000) 7.669 10.402 ( -1.364 2.597 -0.000) 2.933 10.613 ( -10.104 -13.542 -0.000) 16.896 10.757 ( 4.181 -3.927 0.000) 5.736 11.053 ( -9.450 7.359 -0.000) 11.977 11.752 ( -0.306 6.170 -0.000) 6.177 11.810 ( -11.612 0.367 -0.000) 11.618 12.517 ( 4.443 -4.130 0.000) 6.066 13.059 ( -7.502 3.413 -0.000) 8.242 13.268 ( -2.548 17.529 -0.000) 17.714 13.787 ( -1.963 2.096 -0.000) 2.872 13.888 ( -1.756 -16.656 0.000) 16.749 15.065 ( -13.577 -0.657 -0.000) 13.593 16.206 ( 16.645 7.094 0.000) 18.094 ======================= Grid point 360 (147/156) ======================= q-point: ( 0.30 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 2.170 -11.773 13.746) 18.228 2.202 ( 12.298 -3.392 13.151) 18.322 2.937 ( 1.465 7.431 -5.829) 9.557 3.034 ( -4.619 -5.541 -5.450) 9.041 3.998 ( -8.292 13.184 0.418) 15.581 4.381 ( -6.807 -7.079 -18.217) 20.696 4.770 ( 11.450 -0.884 23.711) 26.346 5.121 ( 4.915 -0.323 5.263) 7.208 5.304 ( -2.087 -1.965 3.775) 4.740 5.349 ( 7.588 -6.168 1.680) 9.922 5.613 ( 10.082 -11.205 6.328) 16.348 6.301 ( 6.038 -5.789 -23.183) 24.646 6.848 ( -5.729 5.385 2.365) 8.211 6.894 ( -3.957 3.580 3.912) 6.616 7.529 ( -2.167 0.896 0.292) 2.363 7.951 ( -2.787 5.435 -19.816) 20.736 8.438 ( 1.728 -0.751 -3.988) 4.411 8.482 ( 1.917 -4.148 -6.476) 7.926 9.009 ( 2.512 -2.051 19.638) 19.904 9.496 ( 4.450 -2.139 2.734) 5.644 9.612 ( 6.073 -10.036 0.944) 11.768 9.827 ( -0.790 0.778 -15.320) 15.360 10.330 ( -1.655 0.707 3.178) 3.652 10.439 ( 3.617 -2.973 2.892) 5.503 10.691 ( -7.673 11.790 -0.261) 14.069 11.083 ( -3.870 -3.609 0.150) 5.294 11.301 ( 0.862 -0.904 -1.871) 2.249 11.616 ( 3.799 -0.862 -6.657) 7.713 12.256 ( -7.994 2.649 8.991) 12.319 12.538 ( -4.138 8.846 -2.315) 10.037 13.291 ( -4.775 13.790 4.503) 15.273 13.528 ( -10.166 3.942 -1.479) 11.004 13.752 ( -0.843 12.685 4.566) 13.508 14.137 ( -7.304 -6.754 0.819) 9.982 15.102 ( 7.880 -7.437 18.141) 21.130 15.762 ( 7.741 -6.680 -17.205) 20.014 ======================= Grid point 361 (148/156) ======================= q-point: ( 0.35 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -2.808 5.967 -0.000) 6.595 2.521 ( -5.631 -1.537 -0.000) 5.837 3.119 ( 20.967 -0.606 0.000) 20.976 3.132 ( 4.234 4.906 0.000) 6.480 3.708 ( -2.937 -7.523 -0.000) 8.076 4.170 ( -2.845 17.378 -0.000) 17.610 5.028 ( 0.834 -15.906 0.000) 15.928 5.325 ( 1.659 -18.414 0.000) 18.489 5.509 ( 4.097 1.100 0.000) 4.242 5.699 ( 4.790 10.249 0.000) 11.313 6.038 ( 3.092 7.188 0.000) 7.825 6.384 ( 14.063 -2.935 0.000) 14.366 6.660 ( -3.688 0.772 -0.000) 3.768 6.781 ( 0.539 0.218 0.000) 0.581 7.623 ( 1.752 0.233 0.000) 1.767 7.676 ( 2.757 -4.204 0.000) 5.027 8.546 ( 3.902 1.221 0.000) 4.089 8.573 ( 5.822 2.464 0.000) 6.322 9.235 ( -4.282 -4.683 -0.000) 6.346 9.417 ( -1.061 2.361 -0.000) 2.589 9.714 ( 2.422 3.167 0.000) 3.986 9.999 ( 6.965 4.597 0.000) 8.345 10.360 ( -8.995 -10.690 -0.000) 13.971 10.448 ( -2.087 -0.067 -0.000) 2.088 10.462 ( 1.215 10.196 -0.000) 10.268 10.745 ( 0.028 3.746 -0.000) 3.746 11.200 ( -11.783 7.076 -0.000) 13.744 11.750 ( 4.250 -6.379 0.000) 7.665 11.828 ( -15.334 1.601 -0.000) 15.418 12.438 ( -0.278 -4.497 0.000) 4.506 12.956 ( -11.467 -9.925 -0.000) 15.166 13.385 ( -4.384 -14.398 -0.000) 15.050 13.698 ( 0.577 6.668 -0.000) 6.692 13.950 ( -5.385 10.610 -0.000) 11.898 15.105 ( -7.306 5.096 -0.000) 8.908 16.254 ( 17.578 -2.449 0.000) 17.748 ======================= Grid point 366 (149/156) ======================= q-point: ( 0.35 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 1.930 0.308 13.291) 13.434 2.179 ( 13.732 -0.124 13.281) 19.105 2.943 ( -7.780 -2.357 -3.968) 9.045 3.060 ( 3.481 2.725 -4.468) 6.285 4.126 ( -14.689 -3.167 -0.196) 15.028 4.383 ( 0.275 7.698 -19.316) 20.795 4.680 ( 10.386 -5.031 24.982) 27.519 5.119 ( 4.362 -2.657 9.706) 10.968 5.224 ( 5.190 3.171 -0.407) 6.095 5.390 ( 4.858 -2.769 2.359) 6.069 5.452 ( 9.458 2.038 6.985) 11.933 6.239 ( 6.767 -0.012 -25.782) 26.655 6.908 ( -5.716 0.249 2.578) 6.275 6.929 ( -4.297 -0.038 6.196) 7.540 7.551 ( -3.382 0.350 -1.200) 3.605 7.999 ( -4.110 -0.843 -22.253) 22.645 8.429 ( 2.204 -1.069 -4.920) 5.496 8.447 ( 3.783 1.472 -5.907) 7.167 8.987 ( 1.292 -0.136 21.513) 21.552 9.470 ( 4.014 -1.544 2.351) 4.902 9.508 ( 7.835 1.952 1.814) 8.276 9.842 ( -0.088 0.096 -17.783) 17.784 10.364 ( 1.047 2.090 3.048) 3.841 10.378 ( 2.454 -2.032 2.908) 4.313 10.843 ( -14.930 -3.753 3.525) 15.793 11.008 ( -6.250 4.987 -2.796) 8.470 11.331 ( 9.066 -0.149 3.080) 9.576 11.573 ( 3.149 -1.025 -10.952) 11.442 12.304 ( -6.574 1.489 10.780) 12.714 12.616 ( -7.497 -1.069 -3.888) 8.513 13.395 ( -9.154 -6.411 2.323) 11.415 13.537 ( 3.904 7.382 1.828) 8.549 13.913 ( -20.020 -12.113 2.533) 23.536 14.132 ( -4.045 11.470 1.431) 12.246 14.985 ( 8.369 -0.833 17.613) 19.518 15.695 ( 13.805 -0.230 -15.701) 20.908 ======================= Grid point 403 (150/156) ======================= q-point: (-0.65 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 14.148 -4.418 0.000) 14.822 2.626 ( 4.019 -9.528 0.000) 10.342 2.731 ( -3.460 -1.375 -0.000) 3.723 3.087 ( -3.169 -4.367 -0.000) 5.396 3.717 ( -5.303 9.910 -0.000) 11.240 4.399 ( -0.025 -12.181 0.000) 12.181 4.887 ( 4.420 12.093 0.000) 12.875 5.097 ( -4.327 4.378 -0.000) 6.155 5.362 ( -3.123 -2.785 -0.000) 4.184 5.666 ( 5.087 -14.541 0.000) 15.405 6.091 ( 11.332 -8.685 0.000) 14.277 6.102 ( 3.649 -15.669 0.000) 16.089 6.763 ( -7.083 6.498 -0.000) 9.612 6.772 ( -3.074 7.695 -0.000) 8.286 7.594 ( -2.746 1.250 -0.000) 3.017 7.643 ( 2.689 -0.065 0.000) 2.690 8.462 ( -0.606 -3.847 0.000) 3.895 8.502 ( 2.482 -5.882 0.000) 6.384 9.322 ( 2.800 5.318 0.000) 6.010 9.408 ( 0.747 -3.081 0.000) 3.171 9.746 ( 8.247 -5.841 0.000) 10.106 9.861 ( 1.027 -12.077 0.000) 12.120 10.379 ( -3.765 -1.531 -0.000) 4.064 10.398 ( -5.280 8.970 -0.000) 10.409 10.583 ( 7.910 -3.428 0.000) 8.621 10.999 ( 6.155 8.632 0.000) 10.602 11.404 ( -12.104 -9.446 -0.000) 15.354 11.515 ( 5.106 7.061 0.000) 8.714 12.266 ( 6.328 16.851 0.000) 18.000 12.300 ( -13.747 2.064 -0.000) 13.901 13.054 ( -5.071 14.952 -0.000) 15.789 13.180 ( -19.990 15.616 -0.000) 25.366 13.824 ( 7.263 -4.731 0.000) 8.669 14.196 ( 0.820 1.510 0.000) 1.718 15.377 ( 14.789 4.597 0.000) 15.488 15.768 ( -9.831 -17.954 -0.000) 20.469 ======================= Grid point 409 (151/156) ======================= q-point: ( 0.35 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -0.846 -11.560 0.000) 11.591 2.618 ( 11.949 -3.897 0.000) 12.568 2.884 ( -1.514 -4.593 -0.000) 4.836 2.922 ( 2.587 9.478 0.000) 9.824 3.878 ( -2.499 15.151 -0.000) 15.355 4.004 ( -8.686 -11.302 -0.000) 14.254 5.292 ( 6.335 8.271 0.000) 10.418 5.345 ( 9.315 8.387 0.000) 12.534 5.376 ( 0.636 -18.409 0.000) 18.420 5.432 ( 10.148 3.698 0.000) 10.801 5.893 ( 5.358 -11.746 0.000) 12.910 6.185 ( 14.141 -6.604 0.000) 15.607 6.727 ( -7.588 4.264 -0.000) 8.704 6.794 ( -7.260 5.556 -0.000) 9.142 7.608 ( 0.500 1.168 0.000) 1.271 7.685 ( 1.927 -0.961 0.000) 2.153 8.450 ( 3.508 0.111 0.000) 3.510 8.471 ( 3.044 -1.966 0.000) 3.624 9.355 ( 0.068 -3.658 0.000) 3.659 9.458 ( 0.762 1.131 0.000) 1.364 9.654 ( 1.309 -6.459 0.000) 6.591 9.823 ( 9.957 -3.996 0.000) 10.729 10.331 ( -1.415 2.956 -0.000) 3.278 10.456 ( -3.871 5.425 -0.000) 6.664 10.662 ( 4.459 -0.336 0.000) 4.471 10.856 ( -13.706 -13.243 -0.000) 19.059 11.237 ( -6.756 8.529 -0.000) 10.881 11.692 ( 5.973 0.597 0.000) 6.003 12.065 ( -14.685 3.428 -0.000) 15.080 12.496 ( -0.780 1.629 -0.000) 1.806 13.242 ( -12.037 12.331 -0.000) 17.232 13.312 ( -1.738 16.794 -0.000) 16.884 13.812 ( -0.250 2.099 -0.000) 2.114 13.970 ( -7.145 -14.810 -0.000) 16.444 15.292 ( -9.542 -8.694 -0.000) 12.909 15.847 ( 20.243 5.147 0.000) 20.887 ======================= Grid point 415 (152/156) ======================= q-point: ( 0.40 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 2.204 1.969 0.000) 2.956 2.581 ( 8.983 0.282 0.000) 8.988 2.801 ( 1.603 -3.857 0.000) 4.177 3.071 ( 2.213 4.848 0.000) 5.329 3.830 ( -9.181 -6.835 -0.000) 11.446 4.194 ( 0.415 16.340 -0.000) 16.346 5.037 ( -1.331 -15.395 0.000) 15.452 5.275 ( 3.447 -11.650 0.000) 12.149 5.396 ( 6.239 1.422 0.000) 6.400 5.547 ( 10.104 6.755 0.000) 12.154 5.877 ( 11.523 8.765 0.000) 14.478 6.080 ( 16.918 -2.507 0.000) 17.103 6.786 ( -8.641 1.469 -0.000) 8.765 6.847 ( -6.450 -0.776 -0.000) 6.497 7.617 ( -0.932 0.302 -0.000) 0.980 7.653 ( -0.068 -2.654 0.000) 2.654 8.464 ( 5.085 1.389 0.000) 5.271 8.465 ( 4.359 0.394 0.000) 4.377 9.303 ( -2.997 -1.114 -0.000) 3.198 9.423 ( 0.050 -2.487 0.000) 2.487 9.633 ( 5.788 3.231 0.000) 6.629 9.810 ( 11.521 2.285 0.000) 11.746 10.421 ( 1.725 5.736 0.000) 5.990 10.455 ( 1.753 -3.638 0.000) 4.038 10.601 ( -14.142 -11.768 -0.000) 18.398 10.805 ( -6.623 11.793 -0.000) 13.526 11.393 ( -6.187 7.282 -0.000) 9.555 11.610 ( 9.197 -8.281 0.000) 12.376 12.152 ( -16.744 5.313 -0.000) 17.566 12.484 ( -3.493 -4.199 -0.000) 5.462 13.201 ( -12.891 -9.460 -0.000) 15.990 13.554 ( -12.107 -5.884 -0.000) 13.461 13.664 ( 1.248 -2.182 0.000) 2.513 14.052 ( -5.145 14.501 -0.000) 15.386 15.207 ( -3.036 1.430 -0.000) 3.356 15.882 ( 20.654 -1.883 0.000) 20.740 ======================= Grid point 420 (153/156) ======================= q-point: ( 0.40 0.40 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -0.000 0.000 13.092) 13.092 2.036 ( -0.000 0.000 13.092) 13.092 3.027 ( 0.000 -0.000 -2.908) 2.908 3.027 ( 0.000 -0.000 -2.908) 2.908 4.382 ( 0.000 -0.000 -20.258) 20.258 4.382 ( 0.000 -0.000 -20.258) 20.258 4.463 ( -0.000 0.000 44.956) 44.956 5.083 ( -0.000 0.000 16.123) 16.123 5.176 ( 0.000 -0.000 -4.130) 4.130 5.342 ( -0.000 0.000 4.703) 4.703 5.342 ( -0.000 0.000 4.703) 4.703 6.169 ( 0.000 -0.000 -28.242) 28.242 6.967 ( -0.000 0.000 3.012) 3.012 6.971 ( -0.000 0.000 8.659) 8.659 7.593 ( 0.000 -0.000 -4.072) 4.072 8.048 ( 0.000 -0.000 -24.984) 24.984 8.406 ( 0.000 -0.000 -5.331) 5.331 8.406 ( 0.000 -0.000 -5.331) 5.331 8.977 ( -0.000 0.000 23.748) 23.748 9.421 ( -0.000 0.000 2.546) 2.546 9.421 ( -0.000 0.000 2.546) 2.546 9.850 ( 0.000 -0.000 -20.133) 20.133 10.353 ( -0.000 0.000 3.021) 3.021 10.353 ( -0.000 0.000 3.021) 3.021 11.081 ( -0.000 0.000 0.993) 0.993 11.081 ( -0.000 0.000 0.993) 0.993 11.150 ( -0.000 0.000 6.306) 6.306 11.526 ( 0.000 -0.000 -14.320) 14.320 12.365 ( -0.000 0.000 12.658) 12.658 12.703 ( 0.000 -0.000 -5.412) 5.412 13.489 ( -0.000 0.000 1.092) 1.092 13.489 ( -0.000 0.000 1.092) 1.092 14.178 ( -0.000 0.000 1.586) 1.586 14.178 ( -0.000 0.000 1.586) 1.586 14.850 ( -0.000 0.000 20.775) 20.775 15.547 ( 0.000 -0.000 -15.870) 15.870 ======================= Grid point 465 (154/156) ======================= q-point: ( 0.40 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 1.793 -13.409 0.000) 13.528 2.320 ( 13.409 -3.046 0.000) 13.751 2.907 ( -0.739 9.976 -0.000) 10.003 3.007 ( -5.862 -3.855 -0.000) 7.016 3.945 ( -4.140 12.980 -0.000) 13.624 4.178 ( -7.093 -9.675 -0.000) 11.997 5.088 ( 11.391 7.231 0.000) 13.492 5.177 ( 3.666 1.612 0.000) 4.005 5.357 ( 0.908 2.799 0.000) 2.943 5.371 ( 0.050 -12.617 0.000) 12.617 5.783 ( 4.913 -15.143 0.000) 15.920 5.897 ( 14.701 -9.969 0.000) 17.763 6.888 ( -7.500 5.483 -0.000) 9.290 6.918 ( -4.581 6.151 -0.000) 7.670 7.626 ( -2.084 1.690 -0.000) 2.683 7.661 ( 0.715 1.194 0.000) 1.392 8.401 ( 1.534 -2.185 0.000) 2.670 8.415 ( 2.525 -2.934 0.000) 3.870 9.366 ( -1.466 -1.414 -0.000) 2.037 9.409 ( 3.365 3.666 0.000) 4.976 9.618 ( 2.201 -11.339 0.000) 11.551 9.636 ( 8.481 -4.529 0.000) 9.614 10.361 ( -1.835 0.115 -0.000) 1.839 10.466 ( 3.662 -2.842 0.000) 4.636 10.688 ( -8.044 14.018 -0.000) 16.162 11.084 ( -5.888 -4.984 -0.000) 7.714 11.281 ( -1.287 1.977 -0.000) 2.359 11.555 ( 7.613 -2.957 0.000) 8.167 12.363 ( -14.402 4.028 -0.000) 14.955 12.494 ( 1.496 7.266 0.000) 7.418 13.338 ( -1.643 13.577 -0.000) 13.676 13.509 ( -12.984 5.792 -0.000) 14.217 13.798 ( 0.394 11.824 -0.000) 11.830 14.144 ( -8.610 -7.062 -0.000) 11.136 15.429 ( -4.478 -16.068 -0.000) 16.680 15.445 ( 19.449 2.519 0.000) 19.612 ======================= Grid point 471 (155/156) ======================= q-point: ( 0.45 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 2.627 0.309 0.000) 2.645 2.289 ( 13.527 -0.008 0.000) 13.527 2.942 ( -8.397 -2.699 -0.000) 8.821 3.041 ( 0.941 2.845 0.000) 2.996 4.035 ( -10.693 -5.393 -0.000) 11.976 4.173 ( 1.115 8.214 -0.000) 8.289 5.044 ( 1.172 -7.349 0.000) 7.442 5.154 ( 9.666 0.502 0.000) 9.679 5.334 ( -0.944 2.430 -0.000) 2.607 5.393 ( 3.064 -1.851 0.000) 3.579 5.665 ( 9.262 6.261 0.000) 11.180 5.756 ( 15.430 -3.225 0.000) 15.763 6.954 ( -7.399 0.961 -0.000) 7.461 6.975 ( -5.518 -0.829 -0.000) 5.580 7.650 ( -2.049 0.745 -0.000) 2.180 7.665 ( -0.822 -1.187 -0.000) 1.444 8.384 ( 3.014 0.467 0.000) 3.050 8.387 ( 3.229 -0.167 0.000) 3.233 9.360 ( -3.094 1.126 -0.000) 3.293 9.423 ( -0.135 -4.135 0.000) 4.137 9.513 ( 5.660 3.354 0.000) 6.579 9.591 ( 10.102 -0.067 0.000) 10.102 10.392 ( 1.099 3.025 0.000) 3.218 10.406 ( 2.414 -2.824 0.000) 3.715 10.890 ( -14.688 -11.499 -0.000) 18.654 10.968 ( -9.031 13.068 -0.000) 15.885 11.405 ( 4.577 7.714 0.000) 8.970 11.424 ( 9.300 -9.400 0.000) 13.223 12.441 ( -12.012 3.666 -0.000) 12.559 12.545 ( -2.378 -3.032 -0.000) 3.853 13.416 ( -8.296 -6.790 -0.000) 10.720 13.554 ( 4.572 7.532 0.000) 8.811 13.938 ( -20.218 -12.797 -0.000) 23.928 14.146 ( -4.257 12.113 -0.000) 12.840 15.229 ( 0.267 -0.807 0.000) 0.850 15.471 ( 20.376 -0.140 0.000) 20.376 ======================= Grid point 527 (156/156) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -0.000 0.000 0.000) 0.000 2.149 ( -0.000 0.000 0.000) 0.000 3.032 ( -0.000 0.000 0.000) 0.000 3.032 ( -0.000 0.000 0.000) 0.000 4.163 ( -0.000 0.000 0.000) 0.000 4.163 ( -0.000 0.000 0.000) 0.000 5.022 ( 0.000 -0.000 -14.444) 14.444 5.022 ( -0.000 0.000 14.444) 14.444 5.388 ( -0.000 0.000 0.000) 0.000 5.388 ( -0.000 0.000 0.000) 0.000 5.559 ( 0.000 -0.000 -34.130) 34.130 5.559 ( -0.000 0.000 34.130) 34.130 7.032 ( 0.000 -0.000 -2.102) 2.102 7.032 ( -0.000 0.000 2.102) 2.102 7.674 ( 0.000 -0.000 -13.482) 13.482 7.674 ( -0.000 0.000 13.482) 13.482 8.354 ( -0.000 0.000 0.000) 0.000 8.354 ( -0.000 0.000 0.000) 0.000 9.431 ( 0.000 -0.000 -23.948) 23.948 9.431 ( -0.000 0.000 23.948) 23.948 9.446 ( -0.000 0.000 0.000) 0.000 9.446 ( -0.000 0.000 0.000) 0.000 10.381 ( -0.000 0.000 0.000) 0.000 10.381 ( -0.000 0.000 0.000) 0.000 11.091 ( -0.000 0.000 0.000) 0.000 11.091 ( -0.000 0.000 0.000) 0.000 11.300 ( 0.000 -0.000 -9.878) 9.878 11.300 ( -0.000 0.000 9.878) 9.878 12.569 ( 0.000 -0.000 -8.963) 8.963 12.569 ( -0.000 0.000 8.963) 8.963 13.499 ( -0.000 0.000 0.000) 0.000 13.499 ( -0.000 0.000 0.000) 0.000 14.193 ( -0.000 0.000 0.000) 0.000 14.193 ( -0.000 0.000 0.000) 0.000 15.221 ( 0.000 -0.000 -18.688) 18.688 15.221 ( -0.000 0.000 18.688) 18.688 =================== 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 3/36000 10.0 3877.965 3877.965 4274.101 0.000 -0.000 -0.000 3/36000 20.0 803.844 803.844 889.282 0.000 -0.000 -0.000 3/36000 30.0 266.458 266.458 317.400 0.000 -0.000 -0.000 3/36000 40.0 132.286 132.286 167.032 0.000 -0.000 -0.000 3/36000 50.0 80.646 80.646 105.352 0.000 -0.000 -0.000 3/36000 60.0 55.049 55.049 73.165 0.000 -0.000 -0.000 3/36000 70.0 40.310 40.310 54.008 0.000 -0.000 -0.000 3/36000 80.0 31.007 31.007 41.691 0.000 -0.000 -0.000 3/36000 90.0 24.767 24.767 33.347 0.000 -0.000 -0.000 3/36000 100.0 20.389 20.389 27.462 0.000 -0.000 -0.000 3/36000 110.0 17.208 17.208 23.167 0.000 -0.000 -0.000 3/36000 120.0 14.825 14.825 19.941 0.000 -0.000 -0.000 3/36000 130.0 12.993 12.993 17.454 0.000 -0.000 -0.000 3/36000 140.0 11.553 11.553 15.495 0.000 -0.000 -0.000 3/36000 150.0 10.397 10.397 13.919 0.000 -0.000 -0.000 3/36000 160.0 9.452 9.452 12.629 0.000 -0.000 -0.000 3/36000 170.0 8.669 8.669 11.558 0.000 -0.000 -0.000 3/36000 180.0 8.008 8.008 10.655 0.000 -0.000 -0.000 3/36000 190.0 7.446 7.446 9.885 0.000 -0.000 -0.000 3/36000 200.0 6.960 6.960 9.221 0.000 -0.000 -0.000 3/36000 210.0 6.537 6.537 8.643 0.000 -0.000 -0.000 3/36000 220.0 6.166 6.166 8.136 0.000 -0.000 -0.000 3/36000 230.0 5.836 5.836 7.686 0.000 -0.000 -0.000 3/36000 240.0 5.542 5.542 7.286 0.000 -0.000 -0.000 3/36000 250.0 5.278 5.278 6.927 0.000 -0.000 -0.000 3/36000 260.0 5.040 5.040 6.603 0.000 -0.000 -0.000 3/36000 270.0 4.823 4.823 6.309 0.000 -0.000 -0.000 3/36000 280.0 4.625 4.625 6.042 0.000 -0.000 -0.000 3/36000 290.0 4.444 4.444 5.797 0.000 -0.000 -0.000 3/36000 300.0 4.277 4.277 5.572 0.000 -0.000 -0.000 3/36000 310.0 4.123 4.123 5.364 0.000 -0.000 -0.000 3/36000 320.0 3.980 3.980 5.172 0.000 -0.000 -0.000 3/36000 330.0 3.847 3.847 4.994 0.000 -0.000 -0.000 3/36000 340.0 3.723 3.723 4.828 0.000 -0.000 -0.000 3/36000 350.0 3.608 3.608 4.673 0.000 -0.000 -0.000 3/36000 360.0 3.499 3.499 4.529 0.000 -0.000 -0.000 3/36000 370.0 3.397 3.397 4.393 0.000 -0.000 -0.000 3/36000 380.0 3.301 3.301 4.265 0.000 -0.000 -0.000 3/36000 390.0 3.211 3.211 4.145 0.000 -0.000 -0.000 3/36000 400.0 3.126 3.126 4.032 0.000 -0.000 -0.000 3/36000 410.0 3.045 3.045 3.925 0.000 -0.000 -0.000 3/36000 420.0 2.968 2.968 3.823 0.000 -0.000 -0.000 3/36000 430.0 2.895 2.895 3.727 0.000 -0.000 -0.000 3/36000 440.0 2.826 2.826 3.636 0.000 -0.000 -0.000 3/36000 450.0 2.760 2.760 3.549 0.000 -0.000 -0.000 3/36000 460.0 2.698 2.698 3.467 0.000 -0.000 -0.000 3/36000 470.0 2.638 2.638 3.388 0.000 -0.000 -0.000 3/36000 480.0 2.580 2.580 3.313 0.000 -0.000 -0.000 3/36000 490.0 2.526 2.526 3.241 0.000 -0.000 -0.000 3/36000 500.0 2.473 2.473 3.173 0.000 -0.000 -0.000 3/36000 510.0 2.423 2.423 3.107 0.000 -0.000 -0.000 3/36000 520.0 2.375 2.375 3.044 0.000 -0.000 -0.000 3/36000 530.0 2.329 2.329 2.983 0.000 -0.000 -0.000 3/36000 540.0 2.284 2.284 2.925 0.000 -0.000 -0.000 3/36000 550.0 2.241 2.241 2.869 0.000 -0.000 -0.000 3/36000 560.0 2.200 2.200 2.816 0.000 -0.000 -0.000 3/36000 570.0 2.161 2.161 2.764 0.000 -0.000 -0.000 3/36000 580.0 2.122 2.122 2.714 0.000 -0.000 -0.000 3/36000 590.0 2.086 2.086 2.667 0.000 -0.000 -0.000 3/36000 600.0 2.050 2.050 2.620 0.000 -0.000 -0.000 3/36000 610.0 2.016 2.016 2.576 0.000 -0.000 -0.000 3/36000 620.0 1.982 1.982 2.532 0.000 -0.000 -0.000 3/36000 630.0 1.950 1.950 2.491 0.000 -0.000 -0.000 3/36000 640.0 1.919 1.919 2.451 0.000 -0.000 -0.000 3/36000 650.0 1.889 1.889 2.412 0.000 -0.000 -0.000 3/36000 660.0 1.860 1.860 2.374 0.000 -0.000 -0.000 3/36000 670.0 1.832 1.832 2.337 0.000 -0.000 -0.000 3/36000 680.0 1.804 1.804 2.302 0.000 -0.000 -0.000 3/36000 690.0 1.778 1.778 2.267 0.000 -0.000 -0.000 3/36000 700.0 1.752 1.752 2.234 0.000 -0.000 -0.000 3/36000 710.0 1.727 1.727 2.202 0.000 -0.000 -0.000 3/36000 720.0 1.703 1.703 2.170 0.000 -0.000 -0.000 3/36000 730.0 1.679 1.679 2.140 0.000 -0.000 -0.000 3/36000 740.0 1.656 1.656 2.110 0.000 -0.000 -0.000 3/36000 750.0 1.633 1.633 2.081 0.000 -0.000 -0.000 3/36000 760.0 1.612 1.612 2.053 0.000 -0.000 -0.000 3/36000 770.0 1.591 1.591 2.026 0.000 -0.000 -0.000 3/36000 780.0 1.570 1.570 1.999 0.000 -0.000 -0.000 3/36000 790.0 1.550 1.550 1.973 0.000 -0.000 -0.000 3/36000 800.0 1.530 1.530 1.948 0.000 -0.000 -0.000 3/36000 810.0 1.511 1.511 1.923 0.000 -0.000 -0.000 3/36000 820.0 1.492 1.492 1.900 0.000 -0.000 -0.000 3/36000 830.0 1.474 1.474 1.876 0.000 -0.000 -0.000 3/36000 840.0 1.457 1.457 1.853 0.000 -0.000 -0.000 3/36000 850.0 1.439 1.439 1.831 0.000 -0.000 -0.000 3/36000 860.0 1.422 1.422 1.809 0.000 -0.000 -0.000 3/36000 870.0 1.406 1.406 1.788 0.000 -0.000 -0.000 3/36000 880.0 1.390 1.390 1.768 0.000 -0.000 -0.000 3/36000 890.0 1.374 1.374 1.747 0.000 -0.000 -0.000 3/36000 900.0 1.359 1.359 1.728 0.000 -0.000 -0.000 3/36000 910.0 1.344 1.344 1.708 0.000 -0.000 -0.000 3/36000 920.0 1.329 1.329 1.689 0.000 -0.000 -0.000 3/36000 930.0 1.314 1.314 1.671 0.000 -0.000 -0.000 3/36000 940.0 1.300 1.300 1.653 0.000 -0.000 -0.000 3/36000 950.0 1.287 1.287 1.635 0.000 -0.000 -0.000 3/36000 960.0 1.273 1.273 1.618 0.000 -0.000 -0.000 3/36000 970.0 1.260 1.260 1.601 0.000 -0.000 -0.000 3/36000 980.0 1.247 1.247 1.584 0.000 -0.000 -0.000 3/36000 990.0 1.234 1.234 1.568 0.000 -0.000 -0.000 3/36000 1000.0 1.222 1.222 1.552 0.000 -0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m51020.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:43:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|