----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:14:48]------------------------- 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. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.541769315000001 -3.214348555000000 0.000000000000000 b 3.541769315000001 3.214348555000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.102322290000000 Atomic positions (fractional): *1 O 0.13492895860207 0.19766429081460 0.25000000000000 15.999 2 O 0.86507104139793 0.80233570918540 0.75000000000000 15.999 3 O 0.80233570918540 0.86507104139793 0.25000000000000 15.999 4 O 0.19766429081460 0.13492895860207 0.75000000000000 15.999 *5 O 0.29767774283786 0.70232225716214 0.91500147961423 15.999 6 O 0.70232225716214 0.29767774283786 0.41500147961423 15.999 7 O 0.29767774283786 0.70232225716214 0.58499852038577 15.999 8 O 0.70232225716214 0.29767774283786 0.08499852038577 15.999 *9 Na 0.66114161007545 0.33885838992455 0.75000000000000 22.990 10 Na 0.33885838992455 0.66114161007545 0.25000000000000 22.990 *11 Cl 0.16418076851066 0.83581923148934 0.75000000000000 35.453 12 Cl 0.83581923148934 0.16418076851066 0.25000000000000 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.083538630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.428697110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.102322290000000 Atomic positions (fractional): *1 O 0.16629662470834 0.03136766610626 0.25000000000000 15.999 > 1 2 O 0.83370337529166 0.96863233389374 0.75000000000000 15.999 > 2 3 O 0.83370337529166 0.03136766610626 0.25000000000000 15.999 > 3 4 O 0.16629662470834 0.96863233389374 0.75000000000000 15.999 > 4 *5 O 0.50000000000000 0.20232225716214 0.91500147961423 15.999 > 5 6 O 0.50000000000000 0.79767774283786 0.41500147961423 15.999 > 6 7 O 0.50000000000000 0.20232225716214 0.58499852038577 15.999 > 7 8 O 0.50000000000000 0.79767774283786 0.08499852038577 15.999 > 8 9 O 0.66629662470834 0.53136766610626 0.25000000000000 15.999 > 1 10 O 0.33370337529166 0.46863233389373 0.75000000000000 15.999 > 2 11 O 0.33370337529166 0.53136766610626 0.25000000000000 15.999 > 3 12 O 0.66629662470834 0.46863233389373 0.75000000000000 15.999 > 4 13 O 0.00000000000000 0.70232225716214 0.91500147961423 15.999 > 5 14 O 0.00000000000000 0.29767774283786 0.41500147961423 15.999 > 6 15 O 0.00000000000000 0.70232225716214 0.58499852038577 15.999 > 7 16 O 0.00000000000000 0.29767774283786 0.08499852038577 15.999 > 8 *17 Na 0.50000000000000 0.83885838992455 0.75000000000000 22.990 > 9 18 Na 0.50000000000000 0.16114161007545 0.25000000000000 22.990 > 10 19 Na 0.00000000000000 0.33885838992455 0.75000000000000 22.990 > 9 20 Na 0.00000000000000 0.66114161007545 0.25000000000000 22.990 > 10 *21 Cl 0.50000000000000 0.33581923148934 0.75000000000000 35.453 > 11 22 Cl 0.50000000000000 0.66418076851066 0.25000000000000 35.453 > 12 23 Cl 0.00000000000000 0.83581923148934 0.75000000000000 35.453 > 11 24 Cl 0.00000000000000 0.16418076851066 0.25000000000000 35.453 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.167077260000003 0.000000000000000 0.000000000000000 b 0.000000000000000 12.857394220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.102322290000000 Atomic positions (fractional): *1 O 0.08314831235417 0.01568383305313 0.25000000000000 15.999 > 1 2 O 0.58314831235417 0.01568383305313 0.25000000000000 15.999 > 1 3 O 0.08314831235417 0.51568383305313 0.25000000000000 15.999 > 1 4 O 0.58314831235417 0.51568383305313 0.25000000000000 15.999 > 1 5 O 0.41685168764583 0.48431616694687 0.75000000000000 15.999 > 2 6 O 0.91685168764583 0.48431616694687 0.75000000000000 15.999 > 2 7 O 0.41685168764583 0.98431616694687 0.75000000000000 15.999 > 2 8 O 0.91685168764583 0.98431616694687 0.75000000000000 15.999 > 2 9 O 0.41685168764583 0.01568383305313 0.25000000000000 15.999 > 3 10 O 0.91685168764583 0.01568383305313 0.25000000000000 15.999 > 3 11 O 0.41685168764583 0.51568383305313 0.25000000000000 15.999 > 3 12 O 0.91685168764583 0.51568383305313 0.25000000000000 15.999 > 3 13 O 0.08314831235417 0.48431616694687 0.75000000000000 15.999 > 4 14 O 0.58314831235417 0.48431616694687 0.75000000000000 15.999 > 4 15 O 0.08314831235417 0.98431616694687 0.75000000000000 15.999 > 4 16 O 0.58314831235417 0.98431616694687 0.75000000000000 15.999 > 4 *17 O 0.25000000000000 0.10116112858107 0.91500147961423 15.999 > 5 18 O 0.75000000000000 0.10116112858107 0.91500147961423 15.999 > 5 19 O 0.25000000000000 0.60116112858107 0.91500147961423 15.999 > 5 20 O 0.75000000000000 0.60116112858107 0.91500147961423 15.999 > 5 21 O 0.25000000000000 0.39883887141893 0.41500147961423 15.999 > 6 22 O 0.75000000000000 0.39883887141893 0.41500147961423 15.999 > 6 23 O 0.25000000000000 0.89883887141893 0.41500147961423 15.999 > 6 24 O 0.75000000000000 0.89883887141893 0.41500147961423 15.999 > 6 25 O 0.25000000000000 0.10116112858107 0.58499852038577 15.999 > 7 26 O 0.75000000000000 0.10116112858107 0.58499852038577 15.999 > 7 27 O 0.25000000000000 0.60116112858107 0.58499852038577 15.999 > 7 28 O 0.75000000000000 0.60116112858107 0.58499852038577 15.999 > 7 29 O 0.25000000000000 0.39883887141893 0.08499852038577 15.999 > 8 30 O 0.75000000000000 0.39883887141893 0.08499852038577 15.999 > 8 31 O 0.25000000000000 0.89883887141893 0.08499852038577 15.999 > 8 32 O 0.75000000000000 0.89883887141893 0.08499852038577 15.999 > 8 33 O 0.33314831235417 0.26568383305313 0.25000000000000 15.999 > 1 34 O 0.83314831235417 0.26568383305313 0.25000000000000 15.999 > 1 35 O 0.33314831235417 0.76568383305313 0.25000000000000 15.999 > 1 36 O 0.83314831235417 0.76568383305313 0.25000000000000 15.999 > 1 37 O 0.16685168764583 0.23431616694687 0.75000000000000 15.999 > 2 38 O 0.66685168764583 0.23431616694687 0.75000000000000 15.999 > 2 39 O 0.16685168764583 0.73431616694687 0.75000000000000 15.999 > 2 40 O 0.66685168764583 0.73431616694687 0.75000000000000 15.999 > 2 41 O 0.16685168764583 0.26568383305313 0.25000000000000 15.999 > 3 42 O 0.66685168764583 0.26568383305313 0.25000000000000 15.999 > 3 43 O 0.16685168764583 0.76568383305313 0.25000000000000 15.999 > 3 44 O 0.66685168764583 0.76568383305313 0.25000000000000 15.999 > 3 45 O 0.33314831235417 0.23431616694687 0.75000000000000 15.999 > 4 46 O 0.83314831235417 0.23431616694687 0.75000000000000 15.999 > 4 47 O 0.33314831235417 0.73431616694687 0.75000000000000 15.999 > 4 48 O 0.83314831235417 0.73431616694687 0.75000000000000 15.999 > 4 49 O 0.00000000000000 0.35116112858107 0.91500147961423 15.999 > 5 50 O 0.50000000000000 0.35116112858107 0.91500147961423 15.999 > 5 51 O 0.00000000000000 0.85116112858107 0.91500147961423 15.999 > 5 52 O 0.50000000000000 0.85116112858107 0.91500147961423 15.999 > 5 53 O 0.00000000000000 0.14883887141893 0.41500147961423 15.999 > 6 54 O 0.50000000000000 0.14883887141893 0.41500147961423 15.999 > 6 55 O 0.00000000000000 0.64883887141893 0.41500147961423 15.999 > 6 56 O 0.50000000000000 0.64883887141893 0.41500147961423 15.999 > 6 57 O 0.00000000000000 0.35116112858107 0.58499852038577 15.999 > 7 58 O 0.50000000000000 0.35116112858107 0.58499852038577 15.999 > 7 59 O 0.00000000000000 0.85116112858107 0.58499852038577 15.999 > 7 60 O 0.50000000000000 0.85116112858107 0.58499852038577 15.999 > 7 61 O 0.00000000000000 0.14883887141893 0.08499852038577 15.999 > 8 62 O 0.50000000000000 0.14883887141893 0.08499852038577 15.999 > 8 63 O 0.00000000000000 0.64883887141893 0.08499852038577 15.999 > 8 64 O 0.50000000000000 0.64883887141893 0.08499852038577 15.999 > 8 *65 Na 0.25000000000000 0.41942919496227 0.75000000000000 22.990 > 9 66 Na 0.75000000000000 0.41942919496227 0.75000000000000 22.990 > 9 67 Na 0.25000000000000 0.91942919496227 0.75000000000000 22.990 > 9 68 Na 0.75000000000000 0.91942919496227 0.75000000000000 22.990 > 9 69 Na 0.25000000000000 0.08057080503773 0.25000000000000 22.990 > 10 70 Na 0.75000000000000 0.08057080503773 0.25000000000000 22.990 > 10 71 Na 0.25000000000000 0.58057080503773 0.25000000000000 22.990 > 10 72 Na 0.75000000000000 0.58057080503773 0.25000000000000 22.990 > 10 73 Na 0.00000000000000 0.16942919496227 0.75000000000000 22.990 > 9 74 Na 0.50000000000000 0.16942919496227 0.75000000000000 22.990 > 9 75 Na 0.00000000000000 0.66942919496227 0.75000000000000 22.990 > 9 76 Na 0.50000000000000 0.66942919496227 0.75000000000000 22.990 > 9 77 Na 0.00000000000000 0.33057080503773 0.25000000000000 22.990 > 10 78 Na 0.50000000000000 0.33057080503773 0.25000000000000 22.990 > 10 79 Na 0.00000000000000 0.83057080503773 0.25000000000000 22.990 > 10 80 Na 0.50000000000000 0.83057080503773 0.25000000000000 22.990 > 10 *81 Cl 0.25000000000000 0.16790961574467 0.75000000000000 35.453 > 11 82 Cl 0.75000000000000 0.16790961574467 0.75000000000000 35.453 > 11 83 Cl 0.25000000000000 0.66790961574467 0.75000000000000 35.453 > 11 84 Cl 0.75000000000000 0.66790961574467 0.75000000000000 35.453 > 11 85 Cl 0.25000000000000 0.33209038425533 0.25000000000000 35.453 > 12 86 Cl 0.75000000000000 0.33209038425533 0.25000000000000 35.453 > 12 87 Cl 0.25000000000000 0.83209038425533 0.25000000000000 35.453 > 12 88 Cl 0.75000000000000 0.83209038425533 0.25000000000000 35.453 > 12 89 Cl 0.00000000000000 0.41790961574467 0.75000000000000 35.453 > 11 90 Cl 0.50000000000000 0.41790961574467 0.75000000000000 35.453 > 11 91 Cl 0.00000000000000 0.91790961574467 0.75000000000000 35.453 > 11 92 Cl 0.50000000000000 0.91790961574467 0.75000000000000 35.453 > 11 93 Cl 0.00000000000000 0.08209038425533 0.25000000000000 35.453 > 12 94 Cl 0.50000000000000 0.08209038425533 0.25000000000000 35.453 > 12 95 Cl 0.00000000000000 0.58209038425533 0.25000000000000 35.453 > 12 96 Cl 0.50000000000000 0.58209038425533 0.25000000000000 35.453 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2170618 0.0000000 0.0000000 0.0000000 2.2681051 0.0000000 0.0000000 0.0000000 2.2105102 -------------------------- Born effective charges -------------------------- 1 O -1.4212997 0.4566397 0.0000000 0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 2 O -1.4212997 0.4566397 0.0000000 0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 3 O -1.4212997 -0.4566397 0.0000000 -0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 4 O -1.4212997 -0.4566397 0.0000000 -0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 5 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 0.4656539 0.0000000 0.5374586 -1.5180539 6 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 -0.4656539 0.0000000 -0.5374586 -1.5180539 7 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 -0.4656539 0.0000000 -0.5374586 -1.5180539 8 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 0.4656539 0.0000000 0.5374586 -1.5180539 9 Na 1.1542641 0.0000000 0.0000000 0.0000000 1.2682977 0.0000000 0.0000000 0.0000000 1.1725425 10 Na 1.1542641 0.0000000 0.0000000 0.0000000 1.2682977 0.0000000 0.0000000 0.0000000 1.1725425 11 Cl 3.0413710 0.0000000 0.0000000 0.0000000 3.1600867 0.0000000 0.0000000 0.0000000 3.2050925 12 Cl 3.0413710 0.0000000 0.0000000 0.0000000 3.1600867 0.0000000 0.0000000 0.0000000 3.2050925 ---------------------------------------------------------------------------- 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: 790 Number of blocks in projector: 790 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (790, 774), data: False |-- (56, 56), data: True |-- (104, 102), data: True |-- (154, 150), data: True |-- (154, 150), data: True |-- (154, 150), data: True |-- (168, 166), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.633 Solver_block: 200 / 240 - Time: 0.651 Solver_block: 240 / 240 - Time: 0.294 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.676 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 790 Number of blocks in projector: 790 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 154 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (790, 774), data: False |-- (56, 56), data: True |-- (104, 102), data: True |-- (154, 150), data: True |-- (154, 150), data: True |-- (154, 150), data: True |-- (168, 166), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:15:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:15:02]------------------------- 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. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.541769315000001 -3.214348555000000 0.000000000000000 b 3.541769315000001 3.214348555000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.102322290000000 Atomic positions (fractional): 1 O 0.13492895860207 0.19766429081460 0.25000000000000 15.999 2 O 0.86507104139793 0.80233570918540 0.75000000000000 15.999 3 O 0.80233570918540 0.86507104139793 0.25000000000000 15.999 4 O 0.19766429081460 0.13492895860207 0.75000000000000 15.999 5 O 0.29767774283786 0.70232225716214 0.91500147961423 15.999 6 O 0.70232225716214 0.29767774283786 0.41500147961423 15.999 7 O 0.29767774283786 0.70232225716214 0.58499852038577 15.999 8 O 0.70232225716214 0.29767774283786 0.08499852038577 15.999 9 Na 0.66114161007545 0.33885838992455 0.75000000000000 22.990 10 Na 0.33885838992455 0.66114161007545 0.25000000000000 22.990 11 Cl 0.16418076851066 0.83581923148934 0.75000000000000 35.453 12 Cl 0.83581923148934 0.16418076851066 0.25000000000000 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.167077260000003 0.000000000000000 0.000000000000000 b 0.000000000000000 12.857394220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.102322290000000 Atomic positions (fractional): 1 O 0.08314831235417 0.01568383305313 0.25000000000000 15.999 > 1 2 O 0.58314831235417 0.01568383305313 0.25000000000000 15.999 > 1 3 O 0.08314831235417 0.51568383305313 0.25000000000000 15.999 > 1 4 O 0.58314831235417 0.51568383305313 0.25000000000000 15.999 > 1 5 O 0.41685168764583 0.48431616694687 0.75000000000000 15.999 > 5 6 O 0.91685168764583 0.48431616694687 0.75000000000000 15.999 > 5 7 O 0.41685168764583 0.98431616694687 0.75000000000000 15.999 > 5 8 O 0.91685168764583 0.98431616694687 0.75000000000000 15.999 > 5 9 O 0.41685168764583 0.01568383305313 0.25000000000000 15.999 > 9 10 O 0.91685168764583 0.01568383305313 0.25000000000000 15.999 > 9 11 O 0.41685168764583 0.51568383305313 0.25000000000000 15.999 > 9 12 O 0.91685168764583 0.51568383305313 0.25000000000000 15.999 > 9 13 O 0.08314831235417 0.48431616694687 0.75000000000000 15.999 > 13 14 O 0.58314831235417 0.48431616694687 0.75000000000000 15.999 > 13 15 O 0.08314831235417 0.98431616694687 0.75000000000000 15.999 > 13 16 O 0.58314831235417 0.98431616694687 0.75000000000000 15.999 > 13 17 O 0.25000000000000 0.10116112858107 0.91500147961423 15.999 > 17 18 O 0.75000000000000 0.10116112858107 0.91500147961423 15.999 > 17 19 O 0.25000000000000 0.60116112858107 0.91500147961423 15.999 > 17 20 O 0.75000000000000 0.60116112858107 0.91500147961423 15.999 > 17 21 O 0.25000000000000 0.39883887141893 0.41500147961423 15.999 > 21 22 O 0.75000000000000 0.39883887141893 0.41500147961423 15.999 > 21 23 O 0.25000000000000 0.89883887141893 0.41500147961423 15.999 > 21 24 O 0.75000000000000 0.89883887141893 0.41500147961423 15.999 > 21 25 O 0.25000000000000 0.10116112858107 0.58499852038577 15.999 > 25 26 O 0.75000000000000 0.10116112858107 0.58499852038577 15.999 > 25 27 O 0.25000000000000 0.60116112858107 0.58499852038577 15.999 > 25 28 O 0.75000000000000 0.60116112858107 0.58499852038577 15.999 > 25 29 O 0.25000000000000 0.39883887141893 0.08499852038577 15.999 > 29 30 O 0.75000000000000 0.39883887141893 0.08499852038577 15.999 > 29 31 O 0.25000000000000 0.89883887141893 0.08499852038577 15.999 > 29 32 O 0.75000000000000 0.89883887141893 0.08499852038577 15.999 > 29 33 O 0.33314831235417 0.26568383305313 0.25000000000000 15.999 > 1 34 O 0.83314831235417 0.26568383305313 0.25000000000000 15.999 > 1 35 O 0.33314831235417 0.76568383305313 0.25000000000000 15.999 > 1 36 O 0.83314831235417 0.76568383305313 0.25000000000000 15.999 > 1 37 O 0.16685168764583 0.23431616694687 0.75000000000000 15.999 > 5 38 O 0.66685168764583 0.23431616694687 0.75000000000000 15.999 > 5 39 O 0.16685168764583 0.73431616694687 0.75000000000000 15.999 > 5 40 O 0.66685168764583 0.73431616694687 0.75000000000000 15.999 > 5 41 O 0.16685168764583 0.26568383305313 0.25000000000000 15.999 > 9 42 O 0.66685168764583 0.26568383305313 0.25000000000000 15.999 > 9 43 O 0.16685168764583 0.76568383305313 0.25000000000000 15.999 > 9 44 O 0.66685168764583 0.76568383305313 0.25000000000000 15.999 > 9 45 O 0.33314831235417 0.23431616694687 0.75000000000000 15.999 > 13 46 O 0.83314831235417 0.23431616694687 0.75000000000000 15.999 > 13 47 O 0.33314831235417 0.73431616694687 0.75000000000000 15.999 > 13 48 O 0.83314831235417 0.73431616694687 0.75000000000000 15.999 > 13 49 O 0.00000000000000 0.35116112858107 0.91500147961423 15.999 > 17 50 O 0.50000000000000 0.35116112858107 0.91500147961423 15.999 > 17 51 O 0.00000000000000 0.85116112858107 0.91500147961423 15.999 > 17 52 O 0.50000000000000 0.85116112858107 0.91500147961423 15.999 > 17 53 O 0.00000000000000 0.14883887141893 0.41500147961423 15.999 > 21 54 O 0.50000000000000 0.14883887141893 0.41500147961423 15.999 > 21 55 O 0.00000000000000 0.64883887141893 0.41500147961423 15.999 > 21 56 O 0.50000000000000 0.64883887141893 0.41500147961423 15.999 > 21 57 O 0.00000000000000 0.35116112858107 0.58499852038577 15.999 > 25 58 O 0.50000000000000 0.35116112858107 0.58499852038577 15.999 > 25 59 O 0.00000000000000 0.85116112858107 0.58499852038577 15.999 > 25 60 O 0.50000000000000 0.85116112858107 0.58499852038577 15.999 > 25 61 O 0.00000000000000 0.14883887141893 0.08499852038577 15.999 > 29 62 O 0.50000000000000 0.14883887141893 0.08499852038577 15.999 > 29 63 O 0.00000000000000 0.64883887141893 0.08499852038577 15.999 > 29 64 O 0.50000000000000 0.64883887141893 0.08499852038577 15.999 > 29 65 Na 0.25000000000000 0.41942919496227 0.75000000000000 22.990 > 65 66 Na 0.75000000000000 0.41942919496227 0.75000000000000 22.990 > 65 67 Na 0.25000000000000 0.91942919496227 0.75000000000000 22.990 > 65 68 Na 0.75000000000000 0.91942919496227 0.75000000000000 22.990 > 65 69 Na 0.25000000000000 0.08057080503773 0.25000000000000 22.990 > 69 70 Na 0.75000000000000 0.08057080503773 0.25000000000000 22.990 > 69 71 Na 0.25000000000000 0.58057080503773 0.25000000000000 22.990 > 69 72 Na 0.75000000000000 0.58057080503773 0.25000000000000 22.990 > 69 73 Na 0.00000000000000 0.16942919496227 0.75000000000000 22.990 > 65 74 Na 0.50000000000000 0.16942919496227 0.75000000000000 22.990 > 65 75 Na 0.00000000000000 0.66942919496227 0.75000000000000 22.990 > 65 76 Na 0.50000000000000 0.66942919496227 0.75000000000000 22.990 > 65 77 Na 0.00000000000000 0.33057080503773 0.25000000000000 22.990 > 69 78 Na 0.50000000000000 0.33057080503773 0.25000000000000 22.990 > 69 79 Na 0.00000000000000 0.83057080503773 0.25000000000000 22.990 > 69 80 Na 0.50000000000000 0.83057080503773 0.25000000000000 22.990 > 69 81 Cl 0.25000000000000 0.16790961574467 0.75000000000000 35.453 > 81 82 Cl 0.75000000000000 0.16790961574467 0.75000000000000 35.453 > 81 83 Cl 0.25000000000000 0.66790961574467 0.75000000000000 35.453 > 81 84 Cl 0.75000000000000 0.66790961574467 0.75000000000000 35.453 > 81 85 Cl 0.25000000000000 0.33209038425533 0.25000000000000 35.453 > 85 86 Cl 0.75000000000000 0.33209038425533 0.25000000000000 35.453 > 85 87 Cl 0.25000000000000 0.83209038425533 0.25000000000000 35.453 > 85 88 Cl 0.75000000000000 0.83209038425533 0.25000000000000 35.453 > 85 89 Cl 0.00000000000000 0.41790961574467 0.75000000000000 35.453 > 81 90 Cl 0.50000000000000 0.41790961574467 0.75000000000000 35.453 > 81 91 Cl 0.00000000000000 0.91790961574467 0.75000000000000 35.453 > 81 92 Cl 0.50000000000000 0.91790961574467 0.75000000000000 35.453 > 81 93 Cl 0.00000000000000 0.08209038425533 0.25000000000000 35.453 > 85 94 Cl 0.50000000000000 0.08209038425533 0.25000000000000 35.453 > 85 95 Cl 0.00000000000000 0.58209038425533 0.25000000000000 35.453 > 85 96 Cl 0.50000000000000 0.58209038425533 0.25000000000000 35.453 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2170618 0.0000000 0.0000000 0.0000000 2.2681051 0.0000000 0.0000000 0.0000000 2.2105102 -------------------------- Born effective charges -------------------------- 1 O -1.4212997 0.4566397 0.0000000 0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 2 O -1.4212997 0.4566397 0.0000000 0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 3 O -1.4212997 -0.4566397 0.0000000 -0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 4 O -1.4212997 -0.4566397 0.0000000 -0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 5 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 0.4656539 0.0000000 0.5374586 -1.5180539 6 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 -0.4656539 0.0000000 -0.5374586 -1.5180539 7 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 -0.4656539 0.0000000 -0.5374586 -1.5180539 8 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 0.4656539 0.0000000 0.5374586 -1.5180539 9 Na 1.1542641 0.0000000 0.0000000 0.0000000 1.2682977 0.0000000 0.0000000 0.0000000 1.1725425 10 Na 1.1542641 0.0000000 0.0000000 0.0000000 1.2682977 0.0000000 0.0000000 0.0000000 1.1725425 11 Cl 3.0413710 0.0000000 0.0000000 0.0000000 3.1600867 0.0000000 0.0000000 0.0000000 3.2050925 12 Cl 3.0413710 0.0000000 0.0000000 0.0000000 3.1600867 0.0000000 0.0000000 0.0000000 3.2050925 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000023 (zyz) 0.00000023 (zyz) 0.00000023 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (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 2026-01-08 05:15:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:15:12]------------------------- 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. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.541769315000001 -3.214348555000000 0.000000000000000 b 3.541769315000001 3.214348555000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.102322290000000 Atomic positions (fractional): 1 O 0.13492895860207 0.19766429081460 0.25000000000000 15.999 2 O 0.86507104139793 0.80233570918540 0.75000000000000 15.999 3 O 0.80233570918540 0.86507104139793 0.25000000000000 15.999 4 O 0.19766429081460 0.13492895860207 0.75000000000000 15.999 5 O 0.29767774283786 0.70232225716214 0.91500147961423 15.999 6 O 0.70232225716214 0.29767774283786 0.41500147961423 15.999 7 O 0.29767774283786 0.70232225716214 0.58499852038577 15.999 8 O 0.70232225716214 0.29767774283786 0.08499852038577 15.999 9 Na 0.66114161007545 0.33885838992455 0.75000000000000 22.990 10 Na 0.33885838992455 0.66114161007545 0.25000000000000 22.990 11 Cl 0.16418076851066 0.83581923148934 0.75000000000000 35.453 12 Cl 0.83581923148934 0.16418076851066 0.25000000000000 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.167077260000003 0.000000000000000 0.000000000000000 b 0.000000000000000 12.857394220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.102322290000000 Atomic positions (fractional): 1 O 0.08314831235417 0.01568383305313 0.25000000000000 15.999 > 1 2 O 0.58314831235417 0.01568383305313 0.25000000000000 15.999 > 1 3 O 0.08314831235417 0.51568383305313 0.25000000000000 15.999 > 1 4 O 0.58314831235417 0.51568383305313 0.25000000000000 15.999 > 1 5 O 0.41685168764583 0.48431616694687 0.75000000000000 15.999 > 5 6 O 0.91685168764583 0.48431616694687 0.75000000000000 15.999 > 5 7 O 0.41685168764583 0.98431616694687 0.75000000000000 15.999 > 5 8 O 0.91685168764583 0.98431616694687 0.75000000000000 15.999 > 5 9 O 0.41685168764583 0.01568383305313 0.25000000000000 15.999 > 9 10 O 0.91685168764583 0.01568383305313 0.25000000000000 15.999 > 9 11 O 0.41685168764583 0.51568383305313 0.25000000000000 15.999 > 9 12 O 0.91685168764583 0.51568383305313 0.25000000000000 15.999 > 9 13 O 0.08314831235417 0.48431616694687 0.75000000000000 15.999 > 13 14 O 0.58314831235417 0.48431616694687 0.75000000000000 15.999 > 13 15 O 0.08314831235417 0.98431616694687 0.75000000000000 15.999 > 13 16 O 0.58314831235417 0.98431616694687 0.75000000000000 15.999 > 13 17 O 0.25000000000000 0.10116112858107 0.91500147961423 15.999 > 17 18 O 0.75000000000000 0.10116112858107 0.91500147961423 15.999 > 17 19 O 0.25000000000000 0.60116112858107 0.91500147961423 15.999 > 17 20 O 0.75000000000000 0.60116112858107 0.91500147961423 15.999 > 17 21 O 0.25000000000000 0.39883887141893 0.41500147961423 15.999 > 21 22 O 0.75000000000000 0.39883887141893 0.41500147961423 15.999 > 21 23 O 0.25000000000000 0.89883887141893 0.41500147961423 15.999 > 21 24 O 0.75000000000000 0.89883887141893 0.41500147961423 15.999 > 21 25 O 0.25000000000000 0.10116112858107 0.58499852038577 15.999 > 25 26 O 0.75000000000000 0.10116112858107 0.58499852038577 15.999 > 25 27 O 0.25000000000000 0.60116112858107 0.58499852038577 15.999 > 25 28 O 0.75000000000000 0.60116112858107 0.58499852038577 15.999 > 25 29 O 0.25000000000000 0.39883887141893 0.08499852038577 15.999 > 29 30 O 0.75000000000000 0.39883887141893 0.08499852038577 15.999 > 29 31 O 0.25000000000000 0.89883887141893 0.08499852038577 15.999 > 29 32 O 0.75000000000000 0.89883887141893 0.08499852038577 15.999 > 29 33 O 0.33314831235417 0.26568383305313 0.25000000000000 15.999 > 1 34 O 0.83314831235417 0.26568383305313 0.25000000000000 15.999 > 1 35 O 0.33314831235417 0.76568383305313 0.25000000000000 15.999 > 1 36 O 0.83314831235417 0.76568383305313 0.25000000000000 15.999 > 1 37 O 0.16685168764583 0.23431616694687 0.75000000000000 15.999 > 5 38 O 0.66685168764583 0.23431616694687 0.75000000000000 15.999 > 5 39 O 0.16685168764583 0.73431616694687 0.75000000000000 15.999 > 5 40 O 0.66685168764583 0.73431616694687 0.75000000000000 15.999 > 5 41 O 0.16685168764583 0.26568383305313 0.25000000000000 15.999 > 9 42 O 0.66685168764583 0.26568383305313 0.25000000000000 15.999 > 9 43 O 0.16685168764583 0.76568383305313 0.25000000000000 15.999 > 9 44 O 0.66685168764583 0.76568383305313 0.25000000000000 15.999 > 9 45 O 0.33314831235417 0.23431616694687 0.75000000000000 15.999 > 13 46 O 0.83314831235417 0.23431616694687 0.75000000000000 15.999 > 13 47 O 0.33314831235417 0.73431616694687 0.75000000000000 15.999 > 13 48 O 0.83314831235417 0.73431616694687 0.75000000000000 15.999 > 13 49 O 0.00000000000000 0.35116112858107 0.91500147961423 15.999 > 17 50 O 0.50000000000000 0.35116112858107 0.91500147961423 15.999 > 17 51 O 0.00000000000000 0.85116112858107 0.91500147961423 15.999 > 17 52 O 0.50000000000000 0.85116112858107 0.91500147961423 15.999 > 17 53 O 0.00000000000000 0.14883887141893 0.41500147961423 15.999 > 21 54 O 0.50000000000000 0.14883887141893 0.41500147961423 15.999 > 21 55 O 0.00000000000000 0.64883887141893 0.41500147961423 15.999 > 21 56 O 0.50000000000000 0.64883887141893 0.41500147961423 15.999 > 21 57 O 0.00000000000000 0.35116112858107 0.58499852038577 15.999 > 25 58 O 0.50000000000000 0.35116112858107 0.58499852038577 15.999 > 25 59 O 0.00000000000000 0.85116112858107 0.58499852038577 15.999 > 25 60 O 0.50000000000000 0.85116112858107 0.58499852038577 15.999 > 25 61 O 0.00000000000000 0.14883887141893 0.08499852038577 15.999 > 29 62 O 0.50000000000000 0.14883887141893 0.08499852038577 15.999 > 29 63 O 0.00000000000000 0.64883887141893 0.08499852038577 15.999 > 29 64 O 0.50000000000000 0.64883887141893 0.08499852038577 15.999 > 29 65 Na 0.25000000000000 0.41942919496227 0.75000000000000 22.990 > 65 66 Na 0.75000000000000 0.41942919496227 0.75000000000000 22.990 > 65 67 Na 0.25000000000000 0.91942919496227 0.75000000000000 22.990 > 65 68 Na 0.75000000000000 0.91942919496227 0.75000000000000 22.990 > 65 69 Na 0.25000000000000 0.08057080503773 0.25000000000000 22.990 > 69 70 Na 0.75000000000000 0.08057080503773 0.25000000000000 22.990 > 69 71 Na 0.25000000000000 0.58057080503773 0.25000000000000 22.990 > 69 72 Na 0.75000000000000 0.58057080503773 0.25000000000000 22.990 > 69 73 Na 0.00000000000000 0.16942919496227 0.75000000000000 22.990 > 65 74 Na 0.50000000000000 0.16942919496227 0.75000000000000 22.990 > 65 75 Na 0.00000000000000 0.66942919496227 0.75000000000000 22.990 > 65 76 Na 0.50000000000000 0.66942919496227 0.75000000000000 22.990 > 65 77 Na 0.00000000000000 0.33057080503773 0.25000000000000 22.990 > 69 78 Na 0.50000000000000 0.33057080503773 0.25000000000000 22.990 > 69 79 Na 0.00000000000000 0.83057080503773 0.25000000000000 22.990 > 69 80 Na 0.50000000000000 0.83057080503773 0.25000000000000 22.990 > 69 81 Cl 0.25000000000000 0.16790961574467 0.75000000000000 35.453 > 81 82 Cl 0.75000000000000 0.16790961574467 0.75000000000000 35.453 > 81 83 Cl 0.25000000000000 0.66790961574467 0.75000000000000 35.453 > 81 84 Cl 0.75000000000000 0.66790961574467 0.75000000000000 35.453 > 81 85 Cl 0.25000000000000 0.33209038425533 0.25000000000000 35.453 > 85 86 Cl 0.75000000000000 0.33209038425533 0.25000000000000 35.453 > 85 87 Cl 0.25000000000000 0.83209038425533 0.25000000000000 35.453 > 85 88 Cl 0.75000000000000 0.83209038425533 0.25000000000000 35.453 > 85 89 Cl 0.00000000000000 0.41790961574467 0.75000000000000 35.453 > 81 90 Cl 0.50000000000000 0.41790961574467 0.75000000000000 35.453 > 81 91 Cl 0.00000000000000 0.91790961574467 0.75000000000000 35.453 > 81 92 Cl 0.50000000000000 0.91790961574467 0.75000000000000 35.453 > 81 93 Cl 0.00000000000000 0.08209038425533 0.25000000000000 35.453 > 85 94 Cl 0.50000000000000 0.08209038425533 0.25000000000000 35.453 > 85 95 Cl 0.00000000000000 0.58209038425533 0.25000000000000 35.453 > 85 96 Cl 0.50000000000000 0.58209038425533 0.25000000000000 35.453 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2170618 0.0000000 0.0000000 0.0000000 2.2681051 0.0000000 0.0000000 0.0000000 2.2105102 -------------------------- Born effective charges -------------------------- 1 O -1.4212997 0.4566397 0.0000000 0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 2 O -1.4212997 0.4566397 0.0000000 0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 3 O -1.4212997 -0.4566397 0.0000000 -0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 4 O -1.4212997 -0.4566397 0.0000000 -0.4416566 -1.0802750 0.0000000 0.0000000 0.0000000 -0.6707636 5 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 0.4656539 0.0000000 0.5374586 -1.5180539 6 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 -0.4656539 0.0000000 -0.5374586 -1.5180539 7 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 -0.4656539 0.0000000 -0.5374586 -1.5180539 8 O -0.6765179 0.0000000 0.0000000 0.0000000 -1.1339172 0.4656539 0.0000000 0.5374586 -1.5180539 9 Na 1.1542641 0.0000000 0.0000000 0.0000000 1.2682977 0.0000000 0.0000000 0.0000000 1.1725425 10 Na 1.1542641 0.0000000 0.0000000 0.0000000 1.2682977 0.0000000 0.0000000 0.0000000 1.1725425 11 Cl 3.0413710 0.0000000 0.0000000 0.0000000 3.1600867 0.0000000 0.0000000 0.0000000 3.2050925 12 Cl 3.0413710 0.0000000 0.0000000 0.0000000 3.1600867 0.0000000 0.0000000 0.0000000 3.2050925 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000023 (zyz) 0.00000023 (zyz) 0.00000023 (zzy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 7 ] 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: 0.76, Number of G-points: 311, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.045 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 12.474 ( 0.000 0.000 0.000) 0.000 12.508 ( 0.000 0.000 0.000) 0.000 13.852 ( 0.000 0.000 0.000) 0.000 13.951 ( 0.000 0.000 0.000) 0.000 17.264 ( 0.000 0.000 0.000) 0.000 17.533 ( 0.000 0.000 0.000) 0.000 17.570 ( 0.000 0.000 0.000) 0.000 17.727 ( 0.000 0.000 0.000) 0.000 18.802 ( 0.000 0.000 0.000) 0.000 18.864 ( 0.000 0.000 0.000) 0.000 27.203 ( 0.000 0.000 0.000) 0.000 27.239 ( 0.000 0.000 0.000) 0.000 31.154 ( 0.000 0.000 0.000) 0.000 31.405 ( 0.000 0.000 0.000) 0.000 31.643 ( 0.000 0.000 0.000) 0.000 31.649 ( 0.000 0.000 0.000) 0.000 32.289 ( 0.000 0.000 0.000) 0.000 33.025 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 4.876 -19.979 0.000) 20.565 0.453 ( 16.510 -16.872 0.000) 23.606 0.775 ( 27.812 -28.296 0.000) 39.676 1.237 ( 14.890 -9.339 0.000) 17.576 2.081 ( 0.369 0.366 0.000) 0.520 2.396 ( 3.347 -8.042 0.000) 8.711 2.584 ( -1.387 3.124 0.000) 3.418 2.708 ( -4.761 2.329 0.000) 5.300 2.760 ( 3.302 0.737 0.000) 3.383 2.891 ( 0.030 7.414 0.000) 7.414 3.289 ( -1.580 -3.719 0.000) 4.041 3.296 ( 8.265 9.586 0.000) 12.657 4.101 ( -4.814 0.482 0.000) 4.838 4.153 ( -1.827 1.387 0.000) 2.294 4.298 ( 2.099 -1.781 0.000) 2.752 5.265 ( 0.346 -0.658 0.000) 0.743 5.476 ( -0.271 0.275 0.000) 0.386 5.980 ( -24.397 -16.015 0.000) 29.184 12.469 ( -0.063 0.532 0.000) 0.536 12.518 ( 0.430 -0.827 0.000) 0.932 13.847 ( -0.206 0.409 0.000) 0.458 13.957 ( 0.245 -0.235 0.000) 0.339 17.275 ( 0.417 -1.145 0.000) 1.219 17.542 ( 0.421 -0.816 0.000) 0.918 17.665 ( 8.967 8.131 0.000) 12.105 17.721 ( -0.082 0.743 0.000) 0.747 18.863 ( -0.652 -0.520 0.000) 0.834 19.003 ( -10.708 -10.578 0.000) 15.051 27.204 ( -0.061 -0.056 0.000) 0.083 27.238 ( -0.066 0.107 0.000) 0.125 31.194 ( 3.520 -2.110 0.000) 4.105 31.429 ( 1.389 -2.158 0.000) 2.567 31.680 ( 2.663 -1.959 0.000) 3.305 31.889 ( 21.185 19.058 0.000) 28.496 32.987 ( -2.303 3.178 0.000) 3.924 34.117 ( -20.448 -19.460 0.000) 28.228 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 4.261 -18.842 0.000) 19.317 0.899 ( 16.856 -15.771 0.000) 23.084 1.498 ( 24.493 -25.339 0.000) 35.241 1.565 ( 13.823 -9.072 0.000) 16.535 2.075 ( 0.081 1.410 0.000) 1.413 2.483 ( -4.573 7.350 0.000) 8.656 2.551 ( -6.920 6.645 0.000) 9.593 2.647 ( 9.964 -14.728 0.000) 17.782 2.801 ( 5.825 1.805 0.000) 6.098 2.804 ( 0.928 5.537 0.000) 5.615 3.261 ( 2.915 5.154 0.000) 5.921 3.315 ( -2.638 -3.568 0.000) 4.437 4.008 ( -7.150 1.508 0.000) 7.307 4.079 ( -4.907 2.664 0.000) 5.584 4.372 ( 3.005 -3.609 0.000) 4.696 5.284 ( 0.595 -1.098 0.000) 1.249 5.466 ( -0.435 0.447 0.000) 0.624 5.862 ( -15.030 -3.675 0.000) 15.473 12.461 ( 0.027 0.495 0.000) 0.496 12.538 ( 0.548 -0.962 0.000) 1.107 13.838 ( -0.085 0.429 0.000) 0.437 13.965 ( 0.541 -0.205 0.000) 0.579 17.305 ( 0.749 -2.078 0.000) 2.209 17.563 ( 0.580 -1.161 0.000) 1.298 17.662 ( 4.062 4.301 0.000) 5.916 17.704 ( -0.185 1.447 0.000) 1.459 18.866 ( -0.394 -0.855 0.000) 0.942 19.014 ( -4.469 -4.488 0.000) 6.333 27.204 ( -0.038 -0.091 0.000) 0.098 27.234 ( -0.144 0.249 0.000) 0.288 31.285 ( 4.653 -2.518 0.000) 5.291 31.501 ( 2.760 -4.256 0.000) 5.072 31.765 ( 5.323 -1.620 0.000) 5.564 31.897 ( 7.494 5.093 0.000) 9.061 32.879 ( -4.259 5.900 0.000) 7.276 34.131 ( -8.562 -8.597 0.000) 12.133 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 3.265 -16.874 0.000) 17.187 1.328 ( 16.736 -14.208 0.000) 21.953 1.807 ( 9.395 -6.155 0.000) 11.232 2.015 ( -3.372 6.044 0.000) 6.921 2.138 ( 20.323 -22.763 0.000) 30.515 2.265 ( -6.244 8.747 0.000) 10.747 2.406 ( -3.733 5.578 0.000) 6.712 2.746 ( 0.342 4.061 0.000) 4.075 2.834 ( 3.945 1.481 0.000) 4.214 3.015 ( 14.261 -9.498 0.000) 17.134 3.242 ( 1.209 -0.290 0.000) 1.244 3.323 ( -2.725 -2.623 0.000) 3.783 3.886 ( -7.691 1.740 0.000) 7.885 3.961 ( -6.611 3.207 0.000) 7.348 4.465 ( 2.367 -4.277 0.000) 4.888 5.310 ( 0.718 -1.242 0.000) 1.435 5.453 ( -0.493 0.514 0.000) 0.712 5.713 ( -10.784 0.841 0.000) 10.817 12.456 ( 0.085 0.354 0.000) 0.364 12.557 ( 0.483 -0.824 0.000) 0.955 13.835 ( 0.202 0.173 0.000) 0.266 13.976 ( 0.622 -0.200 0.000) 0.654 17.350 ( 0.932 -2.640 0.000) 2.800 17.585 ( 0.331 -0.908 0.000) 0.966 17.647 ( 1.869 3.090 0.000) 3.611 17.676 ( -0.317 2.015 0.000) 2.040 18.878 ( 0.295 -0.962 0.000) 1.006 19.012 ( -3.005 -1.960 0.000) 3.588 27.205 ( -0.028 -0.107 0.000) 0.111 27.228 ( -0.164 0.326 0.000) 0.365 31.372 ( 3.937 -1.951 0.000) 4.394 31.618 ( 4.015 -6.110 0.000) 7.311 31.800 ( 2.660 4.057 0.000) 4.852 31.983 ( 5.636 -4.854 0.000) 7.438 32.717 ( -5.596 7.806 0.000) 9.605 34.137 ( -4.682 -4.160 0.000) 6.263 ======================= Grid point 4 (5/144) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 1.893 -13.615 0.000) 13.746 1.716 ( 14.323 -11.597 0.000) 18.429 1.805 ( -7.212 10.912 0.000) 13.080 1.987 ( 6.719 -4.462 0.000) 8.066 2.134 ( -1.610 4.669 0.000) 4.939 2.296 ( -2.549 3.682 0.000) 4.478 2.654 ( 15.398 -17.176 0.000) 23.068 2.698 ( -0.023 2.876 0.000) 2.876 2.842 ( 2.153 2.745 0.000) 3.488 3.140 ( 2.406 2.992 0.000) 3.839 3.322 ( -1.970 -1.603 0.000) 2.540 3.381 ( 4.529 -8.373 0.000) 9.520 3.779 ( -5.148 1.162 0.000) 5.278 3.833 ( -5.559 3.368 0.000) 6.500 4.552 ( 1.700 -4.362 0.000) 4.682 5.336 ( 0.679 -1.072 0.000) 1.269 5.439 ( -0.469 0.496 0.000) 0.683 5.575 ( -6.761 2.313 0.000) 7.146 12.453 ( 0.081 0.208 0.000) 0.223 12.572 ( 0.314 -0.541 0.000) 0.626 13.838 ( 0.333 -0.049 0.000) 0.336 13.986 ( 0.503 -0.168 0.000) 0.530 17.400 ( 0.897 -2.623 0.000) 2.772 17.594 ( -0.139 -0.185 0.000) 0.232 17.627 ( 0.761 1.853 0.000) 2.003 17.641 ( -0.424 2.186 0.000) 2.226 18.900 ( 1.046 -0.884 0.000) 1.369 18.993 ( -2.589 -0.504 0.000) 2.638 27.206 ( -0.083 0.006 0.000) 0.083 27.222 ( -0.058 0.186 0.000) 0.195 31.442 ( 3.084 -1.642 0.000) 3.494 31.752 ( -0.770 3.729 0.000) 3.808 31.771 ( 4.796 -7.179 0.000) 8.634 32.126 ( 4.771 -4.597 0.000) 6.625 32.525 ( -5.973 8.415 0.000) 10.319 34.130 ( -2.685 -1.669 0.000) 3.161 ======================= Grid point 5 (6/144) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 0.391 -7.144 0.000) 7.154 1.604 ( -2.985 6.255 0.000) 6.931 1.994 ( 7.740 -6.556 0.000) 10.144 2.062 ( -0.697 2.756 0.000) 2.843 2.081 ( 1.257 -0.244 0.000) 1.281 2.243 ( -0.769 0.918 0.000) 1.198 2.669 ( -0.054 1.076 0.000) 1.078 2.819 ( 0.116 1.466 0.000) 1.470 2.992 ( 9.907 -5.856 0.000) 11.509 3.108 ( -3.509 -0.277 0.000) 3.520 3.320 ( -0.710 -0.542 0.000) 0.894 3.478 ( -0.099 -2.148 0.000) 2.150 3.727 ( -2.180 -0.187 0.000) 2.188 3.740 ( -1.038 2.983 0.000) 3.158 4.621 ( 0.887 -2.296 0.000) 2.461 5.354 ( 0.327 -0.478 0.000) 0.579 5.429 ( -0.241 0.258 0.000) 0.353 5.488 ( -2.381 1.284 0.000) 2.706 12.452 ( 0.033 0.068 0.000) 0.076 12.580 ( 0.107 -0.187 0.000) 0.216 13.842 ( 0.161 -0.056 0.000) 0.171 13.992 ( 0.195 -0.068 0.000) 0.206 17.440 ( 0.444 -1.346 0.000) 1.418 17.589 ( -0.162 0.239 0.000) 0.289 17.610 ( -0.267 1.192 0.000) 1.221 17.618 ( 0.204 0.428 0.000) 0.474 18.929 ( 1.679 -0.666 0.000) 1.807 18.963 ( -2.200 0.274 0.000) 2.217 27.204 ( -0.060 0.052 0.000) 0.080 27.221 ( 0.009 0.024 0.000) 0.025 31.495 ( 1.626 -1.016 0.000) 1.917 31.694 ( -1.172 1.822 0.000) 2.166 31.922 ( 3.316 -4.889 0.000) 5.907 32.215 ( 1.815 -1.721 0.000) 2.501 32.352 ( -3.749 5.337 0.000) 6.522 34.120 ( -0.924 -0.395 0.000) 1.005 ======================= Grid point 12 (7/144) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 11.701 -0.000 0.000) 11.701 0.593 ( 22.587 -0.000 0.000) 22.587 1.075 ( 40.634 -0.000 0.000) 40.634 1.442 ( 25.311 -0.000 0.000) 25.311 2.093 ( 0.869 -0.000 0.000) 0.869 2.392 ( 5.177 -0.000 0.000) 5.177 2.581 ( -2.628 0.000 0.000) 2.628 2.650 ( -7.269 0.000 0.000) 7.269 2.810 ( 4.497 -0.000 0.000) 4.497 2.927 ( -2.673 0.000 0.000) 2.673 3.227 ( -3.037 0.000 0.000) 3.037 3.428 ( -3.039 0.000 0.000) 3.039 4.050 ( -4.912 0.000 0.000) 4.912 4.212 ( 1.595 -0.000 0.000) 1.595 4.302 ( 1.914 -0.000 0.000) 1.914 5.268 ( 0.687 -0.000 0.000) 0.687 5.473 ( -0.486 0.000 0.000) 0.486 5.519 ( -13.213 0.000 0.000) 13.213 12.470 ( -0.356 0.000 0.000) 0.356 12.522 ( 1.062 -0.000 0.000) 1.062 13.857 ( 0.426 -0.000 0.000) 0.426 13.960 ( 0.642 -0.000 0.000) 0.642 17.275 ( 0.818 -0.000 0.000) 0.818 17.538 ( 0.436 -0.000 0.000) 0.436 17.725 ( -0.127 0.000 0.000) 0.127 17.803 ( -0.722 0.000 0.000) 0.722 18.811 ( 0.698 -0.000 0.000) 0.698 18.881 ( 1.254 -0.000 0.000) 1.254 27.203 ( -0.039 0.000 0.000) 0.039 27.238 ( -0.119 0.000 0.000) 0.119 31.248 ( 6.995 -0.000 0.000) 6.995 31.439 ( 2.650 -0.000 0.000) 2.650 31.714 ( 5.043 -0.000 0.000) 5.043 32.319 ( 2.333 -0.000 0.000) 2.333 32.966 ( -4.422 0.000 0.000) 4.422 33.706 ( -1.591 0.000 0.000) 1.591 ======================= Grid point 13 (8/144) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 9.145 -11.828 0.000) 14.951 0.960 ( 20.603 -10.500 0.000) 23.125 1.643 ( 35.018 -8.934 0.000) 36.140 1.758 ( 22.819 2.167 0.000) 22.921 2.099 ( 0.942 1.023 0.000) 1.390 2.496 ( -8.359 5.280 0.000) 9.887 2.528 ( -5.677 2.367 0.000) 6.151 2.572 ( 8.932 -12.801 0.000) 15.610 2.853 ( -3.366 3.363 0.000) 4.758 2.876 ( 4.824 -0.832 0.000) 4.895 3.213 ( -4.200 -3.991 0.000) 5.794 3.351 ( -2.094 4.158 0.000) 4.656 3.960 ( -6.287 2.182 0.000) 6.654 4.132 ( -0.026 9.958 0.000) 9.958 4.352 ( 1.746 -2.886 0.000) 3.373 5.282 ( 0.916 -0.571 0.000) 1.079 5.461 ( -19.768 -16.043 0.000) 25.459 5.464 ( -0.565 0.226 0.000) 0.609 12.463 ( -0.414 0.141 0.000) 0.437 12.541 ( 1.291 -0.317 0.000) 1.329 13.855 ( 0.655 1.030 0.000) 1.221 13.972 ( 0.856 -0.179 0.000) 0.875 17.295 ( 1.115 -1.083 0.000) 1.555 17.553 ( 0.522 -0.985 0.000) 1.115 17.718 ( -0.175 0.799 0.000) 0.818 17.761 ( 0.454 3.864 0.000) 3.891 18.842 ( 0.077 -1.945 0.000) 1.946 18.921 ( 0.471 -2.949 0.000) 2.986 27.203 ( -0.060 -0.058 0.000) 0.084 27.235 ( -0.187 0.134 0.000) 0.230 31.353 ( 8.382 0.058 0.000) 8.382 31.497 ( 3.778 -2.263 0.000) 4.404 31.813 ( 7.511 -2.459 0.000) 7.903 32.197 ( 6.790 17.469 0.000) 18.742 32.876 ( -6.048 3.030 0.000) 6.764 33.826 ( -6.220 -15.983 0.000) 17.150 ======================= Grid point 14 (9/144) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 6.697 -13.633 0.000) 15.190 1.382 ( 19.102 -12.305 0.000) 22.723 1.961 ( 17.187 3.216 0.000) 17.485 2.066 ( -1.298 5.297 0.000) 5.454 2.194 ( 27.194 -11.216 0.000) 29.416 2.275 ( -9.227 6.323 0.000) 11.186 2.418 ( -4.742 4.081 0.000) 6.257 2.768 ( -3.708 2.160 0.000) 4.292 2.837 ( 2.512 -5.065 0.000) 5.654 3.019 ( 7.965 -12.193 0.000) 14.563 3.221 ( -4.427 -4.963 0.000) 6.651 3.270 ( -1.741 3.797 0.000) 4.177 3.849 ( -4.661 2.483 0.000) 5.281 3.972 ( -3.009 8.779 0.000) 9.280 4.418 ( 0.531 -4.132 0.000) 4.166 5.305 ( 0.990 -0.912 0.000) 1.346 5.423 ( -18.596 -13.492 0.000) 22.975 5.453 ( -0.534 0.375 0.000) 0.653 12.456 ( -0.423 0.042 0.000) 0.425 12.561 ( 1.267 -0.229 0.000) 1.288 13.850 ( 0.821 0.944 0.000) 1.251 13.985 ( 0.954 -0.018 0.000) 0.955 17.332 ( 1.257 -1.916 0.000) 2.291 17.574 ( 0.279 -1.028 0.000) 1.065 17.698 ( -0.269 1.585 0.000) 1.608 17.714 ( 0.403 3.579 0.000) 3.602 18.870 ( 0.867 -1.330 0.000) 1.588 18.956 ( -0.529 -1.862 0.000) 1.935 27.203 ( -0.072 -0.124 0.000) 0.144 27.229 ( -0.218 0.235 0.000) 0.321 31.447 ( 7.907 1.480 0.000) 8.044 31.599 ( 4.720 -4.484 0.000) 6.510 31.951 ( 8.553 0.939 0.000) 8.605 32.067 ( 6.175 10.114 0.000) 11.850 32.731 ( -6.977 5.497 0.000) 8.883 33.942 ( -6.510 -11.927 0.000) 13.588 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 4.586 -12.625 0.000) 13.433 1.776 ( 16.982 -9.822 0.000) 19.618 1.877 ( -6.241 11.319 0.000) 12.925 2.123 ( 14.563 3.300 0.000) 14.932 2.156 ( -2.741 1.707 0.000) 3.229 2.301 ( -4.314 3.754 0.000) 5.719 2.644 ( 16.765 -11.555 0.000) 20.361 2.696 ( -4.238 0.820 0.000) 4.317 2.838 ( -3.577 0.293 0.000) 3.589 3.146 ( -9.822 -2.002 0.000) 10.024 3.239 ( -3.642 -4.883 0.000) 6.091 3.311 ( 6.356 -6.362 0.000) 8.993 3.792 ( 1.482 3.673 0.000) 3.961 3.845 ( -1.350 3.346 0.000) 3.609 4.481 ( -0.914 -5.392 0.000) 5.469 5.331 ( 0.870 -0.955 0.000) 1.292 5.374 ( -14.848 -10.228 0.000) 18.029 5.441 ( -0.423 0.447 0.000) 0.615 12.451 ( -0.452 -0.095 0.000) 0.462 12.578 ( 1.118 0.034 0.000) 1.119 13.849 ( 0.791 0.652 0.000) 1.025 13.996 ( 0.878 0.205 0.000) 0.902 17.379 ( 1.214 -2.333 0.000) 2.630 17.585 ( -0.207 -0.495 0.000) 0.536 17.667 ( -0.400 2.178 0.000) 2.214 17.672 ( 0.295 2.918 0.000) 2.933 18.903 ( 1.397 -1.209 0.000) 1.848 18.962 ( -0.715 -0.315 0.000) 0.781 27.204 ( -0.127 -0.091 0.000) 0.156 27.224 ( -0.139 0.178 0.000) 0.226 31.516 ( 7.196 2.392 0.000) 7.584 31.741 ( 5.244 -6.228 0.000) 8.141 31.900 ( 5.160 12.234 0.000) 13.278 32.148 ( 6.801 -2.661 0.000) 7.303 32.550 ( -7.018 6.938 0.000) 9.869 34.004 ( -5.569 -8.166 0.000) 9.884 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 2.615 -9.810 0.000) 10.153 1.680 ( -1.553 7.692 0.000) 7.848 2.069 ( 13.035 -3.231 0.000) 13.429 2.096 ( -1.582 3.391 0.000) 3.742 2.197 ( 7.063 7.971 0.000) 10.650 2.222 ( -3.189 0.063 0.000) 3.190 2.640 ( -4.496 -0.910 0.000) 4.588 2.735 ( -10.717 -3.505 0.000) 11.276 2.948 ( 2.600 -3.682 0.000) 4.507 3.062 ( -3.891 -6.728 0.000) 7.772 3.266 ( -2.306 -4.258 0.000) 4.842 3.419 ( 0.917 -2.878 0.000) 3.021 3.765 ( 3.892 3.468 0.000) 5.213 3.831 ( 3.714 4.021 0.000) 5.474 4.549 ( -1.913 -6.275 0.000) 6.560 5.341 ( -11.023 -9.125 0.000) 14.310 5.352 ( 0.448 -0.587 0.000) 0.739 5.431 ( -0.129 0.336 0.000) 0.360 12.447 ( -0.485 -0.222 0.000) 0.534 12.588 ( 0.900 0.369 0.000) 0.973 13.850 ( 0.525 0.529 0.000) 0.745 14.001 ( 0.614 0.457 0.000) 0.766 17.425 ( 0.918 -1.986 0.000) 2.188 17.584 ( -0.453 -0.078 0.000) 0.460 17.629 ( -0.434 2.123 0.000) 2.167 17.642 ( 0.461 1.887 0.000) 1.943 18.932 ( -0.080 -0.774 0.000) 0.778 18.958 ( 1.335 0.327 0.000) 1.374 27.203 ( -0.140 -0.041 0.000) 0.145 27.221 ( -0.044 0.039 0.000) 0.059 31.560 ( 5.482 3.399 0.000) 6.450 31.808 ( 5.565 9.629 0.000) 11.121 31.895 ( 4.297 -5.744 0.000) 7.173 32.240 ( 3.920 0.004 0.000) 3.920 32.373 ( -5.284 5.763 0.000) 7.819 34.040 ( -4.213 -6.075 0.000) 7.393 ======================= Grid point 17 (12/144) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 2.334 -4.661 0.000) 5.213 1.625 ( 4.071 2.621 0.000) 4.841 2.046 ( -0.518 0.376 0.000) 0.640 2.054 ( -5.553 12.598 0.000) 13.768 2.169 ( 5.903 6.680 0.000) 8.914 2.211 ( -1.774 -2.708 0.000) 3.238 2.611 ( -4.325 -3.096 0.000) 5.319 2.667 ( -12.475 -8.652 0.000) 15.181 2.909 ( -3.982 1.464 0.000) 4.243 3.162 ( 0.310 -1.640 0.000) 1.669 3.299 ( -0.869 -3.263 0.000) 3.377 3.433 ( -2.789 -0.992 0.000) 2.960 3.794 ( 5.958 2.262 0.000) 6.373 3.830 ( 7.063 3.563 0.000) 7.911 4.585 ( -3.603 -3.112 0.000) 4.761 5.356 ( -0.186 0.220 0.000) 0.288 5.366 ( -6.993 -11.155 0.000) 13.165 5.430 ( 0.322 -0.074 0.000) 0.330 12.445 ( -0.493 -0.334 0.000) 0.595 12.591 ( 0.635 0.720 0.000) 0.960 13.847 ( 0.204 0.554 0.000) 0.590 13.998 ( 0.255 0.676 0.000) 0.723 17.449 ( 0.209 0.007 0.000) 0.209 17.581 ( -0.370 -0.301 0.000) 0.477 17.605 ( -0.088 0.432 0.000) 0.441 17.628 ( 0.467 1.098 0.000) 1.193 18.922 ( -0.800 0.566 0.000) 0.980 18.991 ( 2.721 -0.394 0.000) 2.749 27.203 ( -0.022 -0.143 0.000) 0.144 27.220 ( -0.040 0.006 0.000) 0.041 31.547 ( 2.232 5.374 0.000) 5.819 31.786 ( 7.821 5.926 0.000) 9.813 31.946 ( -1.592 2.967 0.000) 3.367 32.243 ( 0.471 3.514 0.000) 3.545 32.320 ( 1.459 -3.802 0.000) 4.072 34.074 ( -2.654 -5.142 0.000) 5.786 ======================= Grid point 18 (13/144) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.420 10.713 0.000) 10.721 1.743 ( -11.345 14.710 0.000) 18.577 1.758 ( 8.007 -9.087 0.000) 12.111 2.064 ( -1.081 10.707 0.000) 10.762 2.084 ( 1.080 -4.456 0.000) 4.584 2.251 ( -0.240 -4.946 0.000) 4.952 2.616 ( -3.845 -5.032 0.000) 6.333 2.617 ( -12.905 -1.696 0.000) 13.016 2.779 ( -3.737 7.879 0.000) 8.720 3.127 ( -1.281 2.756 0.000) 3.039 3.334 ( 0.344 -2.022 0.000) 2.051 3.355 ( -8.969 2.199 0.000) 9.234 3.868 ( 8.616 0.161 0.000) 8.618 3.914 ( 9.241 0.512 0.000) 9.256 4.546 ( -4.744 0.505 0.000) 4.771 5.343 ( -0.472 0.919 0.000) 1.033 5.439 ( 0.466 -0.386 0.000) 0.605 5.480 ( -2.996 -13.827 0.000) 14.148 12.444 ( -0.449 -0.436 0.000) 0.625 12.584 ( 0.344 1.043 0.000) 1.098 13.841 ( 0.109 0.512 0.000) 0.523 13.989 ( -0.046 0.768 0.000) 0.769 17.428 ( -0.451 2.358 0.000) 2.401 17.582 ( -0.707 -0.667 0.000) 0.972 17.617 ( 0.294 -1.671 0.000) 1.697 17.620 ( 0.239 0.745 0.000) 0.783 18.904 ( -0.270 0.860 0.000) 0.902 19.031 ( 2.756 -0.211 0.000) 2.764 27.206 ( 0.083 -0.158 0.000) 0.178 27.220 ( -0.014 -0.103 0.000) 0.104 31.482 ( 0.630 5.873 0.000) 5.907 31.814 ( 6.946 4.488 0.000) 8.270 31.820 ( -3.851 7.490 0.000) 8.422 32.158 ( -2.142 6.538 0.000) 6.880 32.467 ( 4.392 -9.121 0.000) 10.124 34.118 ( -1.155 -4.470 0.000) 4.617 ======================= Grid point 19 (14/144) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -0.925 16.673 0.000) 16.699 1.374 ( -10.934 16.761 0.000) 20.012 1.870 ( -4.069 11.898 0.000) 12.575 1.981 ( 4.983 -6.556 0.000) 8.235 2.202 ( 4.338 -9.277 0.000) 10.241 2.264 ( -12.655 23.596 0.000) 26.775 2.347 ( 1.193 -7.480 0.000) 7.574 2.649 ( -3.390 -5.920 0.000) 6.822 2.710 ( -4.722 -2.719 0.000) 5.449 3.021 ( -6.572 9.170 0.000) 11.282 3.202 ( -6.359 0.389 0.000) 6.371 3.362 ( 1.055 -0.560 0.000) 1.194 3.988 ( 9.076 -0.179 0.000) 9.078 4.034 ( 8.617 -0.713 0.000) 8.646 4.462 ( -5.171 2.024 0.000) 5.553 5.321 ( -0.439 1.295 0.000) 1.367 5.451 ( 0.380 -0.519 0.000) 0.643 5.669 ( 0.575 -14.618 0.000) 14.629 12.446 ( -0.339 -0.534 0.000) 0.633 12.570 ( 0.081 1.287 0.000) 1.289 13.838 ( 0.323 0.276 0.000) 0.425 13.977 ( -0.191 0.702 0.000) 0.727 17.381 ( -0.546 3.025 0.000) 3.074 17.575 ( -1.631 -0.403 0.000) 1.680 17.612 ( -0.197 0.429 0.000) 0.472 17.650 ( 0.269 -2.173 0.000) 2.190 18.891 ( 0.154 0.920 0.000) 0.933 19.066 ( 2.709 0.172 0.000) 2.714 27.207 ( 0.070 0.066 0.000) 0.096 27.224 ( 0.084 -0.371 0.000) 0.380 31.400 ( -0.584 5.814 0.000) 5.843 31.669 ( -2.935 7.276 0.000) 7.846 31.819 ( 3.458 4.632 0.000) 5.781 32.019 ( -2.907 7.996 0.000) 8.508 32.655 ( 3.773 -9.451 0.000) 10.177 34.170 ( 0.425 -3.565 0.000) 3.590 ======================= Grid point 20 (15/144) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -1.180 19.639 0.000) 19.674 0.997 ( -7.495 19.523 0.000) 20.912 1.615 ( -5.972 15.080 0.000) 16.220 1.708 ( -10.192 32.728 0.000) 34.278 2.057 ( 0.532 -1.540 0.000) 1.630 2.417 ( 3.434 -8.941 0.000) 9.578 2.501 ( 4.185 -11.255 0.000) 12.008 2.688 ( -2.800 0.725 0.000) 2.893 2.689 ( -3.409 -5.693 0.000) 6.636 2.761 ( -6.021 10.514 0.000) 12.116 3.175 ( -2.431 -2.391 0.000) 3.409 3.372 ( 0.985 1.166 0.000) 1.526 4.089 ( 5.823 -0.177 0.000) 5.826 4.141 ( 6.599 -0.095 0.000) 6.600 4.364 ( -4.802 2.289 0.000) 5.320 5.297 ( -0.267 1.388 0.000) 1.413 5.463 ( 0.224 -0.565 0.000) 0.608 5.896 ( 3.298 -13.487 0.000) 13.885 12.451 ( -0.168 -0.634 0.000) 0.656 12.551 ( -0.066 1.390 0.000) 1.392 13.842 ( 0.531 -0.043 0.000) 0.532 13.965 ( -0.181 0.524 0.000) 0.555 17.333 ( -0.348 2.817 0.000) 2.838 17.552 ( -2.126 0.028 0.000) 2.126 17.601 ( -0.716 0.433 0.000) 0.837 17.682 ( 0.127 -1.929 0.000) 1.933 18.881 ( 0.266 0.817 0.000) 0.859 19.097 ( 2.696 0.267 0.000) 2.709 27.207 ( 0.057 0.130 0.000) 0.142 27.231 ( 0.077 -0.379 0.000) 0.387 31.304 ( -1.473 5.668 0.000) 5.856 31.546 ( -1.487 5.941 0.000) 6.124 31.772 ( 0.442 5.056 0.000) 5.075 31.871 ( -2.981 7.419 0.000) 7.995 32.820 ( 2.135 -8.237 0.000) 8.509 34.232 ( 2.289 -2.864 0.000) 3.666 ======================= Grid point 21 (16/144) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -0.000 21.451 0.000) 21.451 0.644 ( -0.000 22.202 0.000) 22.202 1.124 ( -0.000 38.134 0.000) 38.134 1.330 ( -0.000 16.595 0.000) 16.595 2.073 ( 0.000 -0.629 0.000) 0.629 2.525 ( -0.000 12.163 0.000) 12.163 2.531 ( 0.000 -5.575 0.000) 5.575 2.712 ( 0.000 -2.829 0.000) 2.829 2.713 ( 0.000 -1.798 0.000) 1.798 2.733 ( 0.000 -12.799 0.000) 12.799 3.187 ( 0.000 -1.740 0.000) 1.740 3.350 ( -0.000 3.003 0.000) 3.003 4.131 ( 0.000 -0.263 0.000) 0.263 4.184 ( -0.000 0.722 0.000) 0.722 4.300 ( -0.000 1.582 0.000) 1.582 5.277 ( -0.000 1.172 0.000) 1.172 5.472 ( 0.000 -0.490 0.000) 0.490 6.107 ( 0.000 -10.915 0.000) 10.915 12.459 ( 0.000 -0.702 0.000) 0.702 12.531 ( -0.000 1.289 0.000) 1.289 13.849 ( 0.000 -0.191 0.000) 0.191 13.958 ( -0.000 0.282 0.000) 0.282 17.296 ( -0.000 2.141 0.000) 2.141 17.532 ( -0.000 0.131 0.000) 0.131 17.584 ( -0.000 0.836 0.000) 0.836 17.707 ( 0.000 -1.403 0.000) 1.403 18.873 ( -0.000 0.602 0.000) 0.602 19.123 ( 0.000 -0.403 0.000) 0.403 27.205 ( -0.000 0.084 0.000) 0.084 27.236 ( 0.000 -0.237 0.000) 0.237 31.218 ( -0.000 4.439 0.000) 4.439 31.465 ( -0.000 4.163 0.000) 4.163 31.709 ( -0.000 4.074 0.000) 4.074 31.738 ( -0.000 6.520 0.000) 6.520 32.936 ( 0.000 -6.050 0.000) 6.050 34.300 ( 0.000 -2.943 0.000) 2.943 ======================= Grid point 24 (17/144) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 11.258 -0.000 0.000) 11.258 1.143 ( 19.995 -0.000 0.000) 19.995 2.054 ( 34.993 -0.000 0.000) 34.993 2.119 ( 25.019 -0.000 0.000) 25.019 2.123 ( 1.342 -0.000 0.000) 1.342 2.401 ( -11.618 0.000 0.000) 11.618 2.482 ( -5.096 0.000 0.000) 5.096 2.560 ( 7.185 -0.000 0.000) 7.185 2.812 ( -6.323 0.000 0.000) 6.323 2.916 ( 2.292 -0.000 0.000) 2.292 3.120 ( -5.058 0.000 0.000) 5.058 3.325 ( -4.908 0.000 0.000) 4.908 3.881 ( -7.972 0.000 0.000) 7.972 4.251 ( 1.664 -0.000 0.000) 1.664 4.353 ( 1.670 -0.000 0.000) 1.670 5.050 ( -22.154 0.000 0.000) 22.154 5.291 ( 1.124 -0.000 0.000) 1.124 5.458 ( -0.579 0.000 0.000) 0.579 12.457 ( -0.642 0.000 0.000) 0.642 12.558 ( 1.663 -0.000 0.000) 1.663 13.872 ( 0.667 -0.000 0.000) 0.667 13.983 ( 1.145 -0.000 0.000) 1.145 17.303 ( 1.365 -0.000 0.000) 1.365 17.553 ( 0.684 -0.000 0.000) 0.684 17.721 ( -0.154 0.000 0.000) 0.154 17.778 ( -1.138 0.000 0.000) 1.138 18.838 ( 1.351 -0.000 0.000) 1.351 18.924 ( 1.975 -0.000 0.000) 1.975 27.201 ( -0.126 0.000 0.000) 0.126 27.233 ( -0.238 0.000 0.000) 0.238 31.480 ( 10.269 -0.000 0.000) 10.269 31.534 ( 4.547 -0.000 0.000) 4.547 31.903 ( 9.514 -0.000 0.000) 9.514 32.403 ( 4.060 -0.000 0.000) 4.060 32.812 ( -7.249 0.000 0.000) 7.249 33.643 ( -3.381 0.000 0.000) 3.381 ======================= Grid point 25 (18/144) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 9.735 -6.769 0.000) 11.857 1.458 ( 17.610 -9.230 0.000) 19.882 2.124 ( 0.772 2.537 0.000) 2.652 2.208 ( -12.252 4.442 0.000) 13.033 2.305 ( 19.392 10.047 0.000) 21.840 2.396 ( -5.593 1.893 0.000) 5.904 2.485 ( 28.943 -1.322 0.000) 28.973 2.716 ( -7.214 0.556 0.000) 7.235 2.767 ( 4.001 -10.076 0.000) 10.841 2.933 ( -2.423 -4.010 0.000) 4.685 3.086 ( -5.355 -4.438 0.000) 6.955 3.256 ( -4.445 0.034 0.000) 4.445 3.792 ( -5.007 -1.019 0.000) 5.110 4.132 ( -0.577 14.466 0.000) 14.477 4.381 ( 0.447 -1.706 0.000) 1.764 4.926 ( -20.555 -18.358 0.000) 27.560 5.310 ( 1.162 -0.444 0.000) 1.244 5.450 ( -0.516 0.180 0.000) 0.546 12.448 ( -0.699 -0.069 0.000) 0.703 12.580 ( 1.688 0.054 0.000) 1.689 13.875 ( 0.797 0.796 0.000) 1.126 13.999 ( 1.243 0.017 0.000) 1.244 17.329 ( 1.449 -0.986 0.000) 1.753 17.567 ( 0.511 -0.574 0.000) 0.769 17.713 ( -0.191 0.909 0.000) 0.929 17.749 ( -0.903 1.880 0.000) 2.085 18.865 ( 1.318 -1.107 0.000) 1.721 18.952 ( 1.685 -0.236 0.000) 1.702 27.200 ( -0.162 -0.113 0.000) 0.198 27.229 ( -0.265 0.122 0.000) 0.291 31.595 ( 9.888 2.243 0.000) 10.140 31.613 ( 5.061 -2.430 0.000) 5.614 32.051 ( 10.740 -1.841 0.000) 10.896 32.347 ( 5.499 13.782 0.000) 14.838 32.694 ( -7.721 2.788 0.000) 8.209 33.686 ( -5.375 -11.325 0.000) 12.536 ======================= Grid point 26 (19/144) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 7.363 -8.730 0.000) 11.420 1.824 ( 14.598 -12.285 0.000) 19.079 1.952 ( -6.993 10.080 0.000) 12.268 2.109 ( -3.956 -0.892 0.000) 4.055 2.297 ( -4.249 3.097 0.000) 5.258 2.417 ( 17.476 7.647 0.000) 19.076 2.619 ( -7.671 -0.506 0.000) 7.688 2.726 ( -4.555 2.612 0.000) 5.251 2.834 ( 11.008 -1.943 0.000) 11.179 2.930 ( -11.071 -3.872 0.000) 11.729 3.101 ( -4.645 -6.563 0.000) 8.041 3.289 ( 2.494 -6.292 0.000) 6.768 3.814 ( 2.178 -4.068 0.000) 4.615 3.945 ( 1.137 9.931 0.000) 9.996 4.405 ( -1.416 -2.579 0.000) 2.942 4.953 ( -17.044 -18.000 0.000) 24.790 5.332 ( 0.988 -0.639 0.000) 1.176 5.441 ( -0.381 0.278 0.000) 0.472 12.441 ( -0.705 -0.187 0.000) 0.730 12.599 ( 1.531 0.294 0.000) 1.559 13.872 ( 0.826 0.952 0.000) 1.260 14.013 ( 1.166 0.303 0.000) 1.205 17.366 ( 1.359 -1.710 0.000) 2.184 17.578 ( 0.106 -0.370 0.000) 0.385 17.691 ( -0.299 1.789 0.000) 1.814 17.709 ( -0.454 2.380 0.000) 2.423 18.898 ( 0.993 -1.326 0.000) 1.657 18.971 ( 1.500 0.389 0.000) 1.550 27.200 ( -0.198 -0.161 0.000) 0.255 27.224 ( -0.206 0.126 0.000) 0.241 31.672 ( 8.892 3.919 0.000) 9.717 31.731 ( 5.205 -4.691 0.000) 7.007 32.177 ( 8.722 10.145 0.000) 13.379 32.237 ( 7.435 4.827 0.000) 8.865 32.541 ( -7.377 4.890 0.000) 8.851 33.778 ( -6.448 -11.807 0.000) 13.453 ======================= Grid point 27 (20/144) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 5.129 -8.308 0.000) 9.764 1.770 ( -1.053 7.025 0.000) 7.103 2.074 ( -4.515 -1.925 0.000) 4.909 2.150 ( 10.432 -10.055 0.000) 14.489 2.201 ( -2.950 3.675 0.000) 4.713 2.433 ( 2.133 13.305 0.000) 13.475 2.536 ( -7.966 -2.042 0.000) 8.224 2.539 ( -15.103 2.038 0.000) 15.240 2.819 ( -6.722 -8.878 0.000) 11.136 3.031 ( 9.543 0.114 0.000) 9.544 3.148 ( -3.257 -7.019 0.000) 7.738 3.399 ( 1.936 -3.940 0.000) 4.390 3.893 ( 5.739 3.845 0.000) 6.908 3.906 ( 4.223 -0.222 0.000) 4.229 4.427 ( -3.086 -5.025 0.000) 5.897 4.984 ( -15.169 -15.739 0.000) 21.859 5.350 ( 0.523 -0.467 0.000) 0.701 5.434 ( -0.073 0.217 0.000) 0.228 12.436 ( -0.673 -0.298 0.000) 0.736 12.610 ( 1.264 0.612 0.000) 1.405 13.868 ( 0.622 0.945 0.000) 1.132 14.019 ( 0.922 0.695 0.000) 1.154 17.409 ( 1.098 -1.969 0.000) 2.254 17.580 ( -0.084 0.030 0.000) 0.089 17.656 ( -0.395 2.339 0.000) 2.372 17.675 ( 0.062 2.049 0.000) 2.050 18.921 ( 0.127 -0.686 0.000) 0.698 18.987 ( 2.157 0.293 0.000) 2.176 27.199 ( -0.207 -0.133 0.000) 0.246 27.221 ( -0.097 0.020 0.000) 0.099 31.709 ( 6.756 5.462 0.000) 8.688 31.870 ( 4.463 -5.648 0.000) 7.199 32.076 ( 8.562 13.936 0.000) 16.356 32.319 ( 6.608 1.877 0.000) 6.870 32.379 ( -5.858 5.279 0.000) 7.885 33.852 ( -6.259 -10.342 0.000) 12.089 ======================= Grid point 28 (21/144) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 4.921 -7.520 0.000) 8.987 1.731 ( 4.778 3.326 0.000) 5.822 2.042 ( -2.966 -0.252 0.000) 2.976 2.130 ( -13.022 11.263 0.000) 17.217 2.137 ( -3.054 -1.023 0.000) 3.221 2.309 ( -15.821 1.637 0.000) 15.905 2.400 ( 8.123 -4.291 0.000) 9.187 2.479 ( -7.584 -4.275 0.000) 8.706 2.922 ( 5.015 -1.901 0.000) 5.363 3.101 ( -0.051 -1.730 0.000) 1.730 3.211 ( -1.802 -6.419 0.000) 6.667 3.430 ( -0.502 1.919 0.000) 1.983 3.917 ( 5.839 3.428 0.000) 6.771 3.962 ( 7.302 1.489 0.000) 7.452 4.460 ( -4.713 -5.827 0.000) 7.494 5.026 ( -13.210 -16.871 0.000) 21.427 5.356 ( -0.055 0.049 0.000) 0.073 5.434 ( 0.308 -0.014 0.000) 0.308 12.432 ( -0.589 -0.390 0.000) 0.706 12.613 ( 0.919 0.945 0.000) 1.318 13.861 ( 0.335 0.924 0.000) 0.983 14.016 ( 0.581 1.054 0.000) 1.203 17.445 ( 0.633 -1.237 0.000) 1.390 17.577 ( -0.025 0.181 0.000) 0.183 17.620 ( -0.308 1.900 0.000) 1.925 17.653 ( 0.348 1.510 0.000) 1.550 18.922 ( -0.149 0.280 0.000) 0.317 19.018 ( 2.389 -0.401 0.000) 2.422 27.199 ( -0.110 -0.214 0.000) 0.241 27.220 ( -0.045 -0.011 0.000) 0.046 31.683 ( 3.771 7.524 0.000) 8.416 31.961 ( 0.478 -0.090 0.000) 0.487 32.026 ( 9.765 10.291 0.000) 14.187 32.287 ( -1.052 -1.035 0.000) 1.476 32.334 ( 3.941 5.661 0.000) 6.898 33.917 ( -5.248 -9.433 0.000) 10.795 ======================= Grid point 29 (22/144) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 3.585 0.872 0.000) 3.690 1.774 ( 6.774 -1.474 0.000) 6.932 1.795 ( -12.160 12.089 0.000) 17.147 2.042 ( 0.272 -3.100 0.000) 3.112 2.102 ( -12.320 1.998 0.000) 12.481 2.150 ( -3.025 -5.786 0.000) 6.529 2.468 ( -6.053 -6.556 0.000) 8.923 2.519 ( 5.564 0.598 0.000) 5.596 2.908 ( 1.354 10.941 0.000) 11.025 3.104 ( -3.065 -2.841 0.000) 4.179 3.279 ( -0.616 -5.208 0.000) 5.245 3.313 ( -6.326 7.853 0.000) 10.084 3.985 ( 8.742 0.278 0.000) 8.746 4.046 ( 8.508 1.157 0.000) 8.586 4.452 ( -6.367 -3.031 0.000) 7.052 5.144 ( -9.426 -20.738 0.000) 22.780 5.349 ( -0.280 0.604 0.000) 0.665 5.440 ( 0.374 -0.217 0.000) 0.433 12.432 ( -0.443 -0.466 0.000) 0.643 12.607 ( 0.537 1.246 0.000) 1.356 13.852 ( 0.188 0.770 0.000) 0.793 14.005 ( 0.275 1.240 0.000) 1.270 17.451 ( 0.019 1.131 0.000) 1.131 17.573 ( -0.193 0.281 0.000) 0.341 17.605 ( 0.031 -0.258 0.000) 0.260 17.638 ( 0.297 1.200 0.000) 1.236 18.914 ( 0.057 0.660 0.000) 0.662 19.055 ( 1.989 -0.672 0.000) 2.100 27.203 ( 0.020 -0.342 0.000) 0.342 27.219 ( -0.021 -0.001 0.000) 0.021 31.606 ( 2.112 8.306 0.000) 8.571 31.882 ( -2.454 6.894 0.000) 7.318 32.009 ( 7.056 8.327 0.000) 10.915 32.266 ( 2.231 9.091 0.000) 9.360 32.383 ( 2.491 -8.735 0.000) 9.083 33.988 ( -3.622 -8.832 0.000) 9.546 ======================= Grid point 30 (23/144) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.311 13.881 0.000) 13.884 1.488 ( -6.634 14.219 0.000) 15.690 1.934 ( -6.295 5.164 0.000) 8.142 1.951 ( 5.198 -7.291 0.000) 8.954 2.128 ( 2.824 -7.279 0.000) 7.807 2.220 ( -2.514 -9.028 0.000) 9.371 2.464 ( -0.250 16.353 0.000) 16.355 2.507 ( -3.385 -7.382 0.000) 8.121 2.740 ( 1.501 8.889 0.000) 9.015 3.075 ( -5.944 9.730 0.000) 11.402 3.115 ( -3.916 -1.636 0.000) 4.244 3.339 ( 0.072 -3.540 0.000) 3.541 4.090 ( 6.290 0.083 0.000) 6.290 4.145 ( 8.218 0.414 0.000) 8.229 4.392 ( -6.681 -0.814 0.000) 6.730 5.334 ( -0.199 1.060 0.000) 1.079 5.368 ( -4.003 -22.631 0.000) 22.983 5.449 ( 0.212 -0.383 0.000) 0.438 12.434 ( -0.237 -0.536 0.000) 0.586 12.592 ( 0.196 1.460 0.000) 1.473 13.846 ( 0.186 0.411 0.000) 0.451 13.990 ( 0.077 1.189 0.000) 1.192 17.419 ( -0.187 2.849 0.000) 2.855 17.562 ( -0.578 0.631 0.000) 0.856 17.623 ( 0.126 -1.866 0.000) 1.870 17.625 ( 0.109 1.076 0.000) 1.081 18.905 ( 0.156 0.793 0.000) 0.809 19.086 ( 1.255 -0.745 0.000) 1.459 27.208 ( 0.058 -0.198 0.000) 0.207 27.220 ( 0.012 -0.203 0.000) 0.203 31.507 ( 0.778 8.334 0.000) 8.370 31.748 ( -1.532 7.860 0.000) 8.008 31.957 ( 2.486 7.656 0.000) 8.050 32.144 ( 1.184 11.076 0.000) 11.139 32.550 ( 1.783 -10.210 0.000) 10.365 34.074 ( -1.529 -7.926 0.000) 8.073 ======================= Grid point 31 (24/144) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -0.000 17.864 0.000) 17.864 1.220 ( -0.000 17.716 0.000) 17.716 1.777 ( -0.000 11.818 0.000) 11.818 2.038 ( 0.000 -2.290 0.000) 2.290 2.103 ( -0.000 29.735 0.000) 29.735 2.321 ( 0.000 -8.964 0.000) 8.964 2.333 ( 0.000 -13.986 0.000) 13.986 2.583 ( 0.000 -6.268 0.000) 6.268 2.693 ( -0.000 2.063 0.000) 2.063 2.870 ( -0.000 10.808 0.000) 10.808 3.127 ( 0.000 -2.184 0.000) 2.184 3.375 ( 0.000 -1.390 0.000) 1.390 4.129 ( -0.000 0.133 0.000) 0.133 4.205 ( -0.000 0.753 0.000) 0.753 4.337 ( -0.000 0.441 0.000) 0.441 5.315 ( -0.000 1.357 0.000) 1.357 5.456 ( 0.000 -0.527 0.000) 0.527 5.657 ( 0.000 -20.555 0.000) 20.555 12.441 ( 0.000 -0.602 0.000) 0.602 12.572 ( -0.000 1.527 0.000) 1.527 13.845 ( -0.000 0.029 0.000) 0.029 13.975 ( -0.000 0.937 0.000) 0.937 17.374 ( -0.000 3.161 0.000) 3.161 17.545 ( -0.000 0.806 0.000) 0.806 17.611 ( -0.000 1.017 0.000) 1.017 17.654 ( 0.000 -2.164 0.000) 2.164 18.895 ( -0.000 0.843 0.000) 0.843 19.106 ( 0.000 -0.765 0.000) 0.765 27.209 ( -0.000 0.082 0.000) 0.082 27.226 ( 0.000 -0.439 0.000) 0.439 31.395 ( -0.000 7.795 0.000) 7.795 31.630 ( -0.000 7.228 0.000) 7.228 31.867 ( -0.000 6.870 0.000) 6.870 31.992 ( -0.000 10.925 0.000) 10.925 32.705 ( 0.000 -9.761 0.000) 9.761 34.169 ( 0.000 -6.474 0.000) 6.474 ======================= Grid point 36 (25/144) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 10.399 -0.000 0.000) 10.399 1.602 ( 15.325 -0.000 0.000) 15.325 2.058 ( -11.638 0.000 0.000) 11.638 2.181 ( 0.280 -0.000 0.000) 0.280 2.324 ( -7.033 0.000 0.000) 7.033 2.612 ( -8.915 0.000 0.000) 8.915 2.645 ( 13.194 -0.000 0.000) 13.194 2.698 ( 1.584 -0.000 0.000) 1.584 2.825 ( -9.385 0.000 0.000) 9.385 2.837 ( 24.895 -0.000 0.000) 24.895 2.982 ( -5.388 0.000 0.000) 5.388 3.180 ( -5.706 0.000 0.000) 5.706 3.738 ( -0.545 0.000 0.000) 0.545 4.286 ( 0.586 -0.000 0.000) 0.586 4.364 ( -2.557 0.000 0.000) 2.557 4.485 ( -17.501 0.000 0.000) 17.501 5.322 ( 1.182 -0.000 0.000) 1.182 5.445 ( -0.480 0.000 0.000) 0.480 12.438 ( -0.758 0.000 0.000) 0.758 12.603 ( 1.735 -0.000 0.000) 1.735 13.890 ( 0.688 -0.000 0.000) 0.688 14.017 ( 1.396 -0.000 0.000) 1.396 17.341 ( 1.468 -0.000 0.000) 1.468 17.570 ( 0.573 -0.000 0.000) 0.573 17.717 ( -0.162 0.000 0.000) 0.162 17.748 ( -1.161 0.000 0.000) 1.161 18.876 ( 1.461 -0.000 0.000) 1.461 18.976 ( 1.970 -0.000 0.000) 1.970 27.197 ( -0.205 0.000 0.000) 0.205 27.226 ( -0.289 0.000 0.000) 0.289 31.661 ( 5.076 -0.000 0.000) 5.076 31.737 ( 9.127 -0.000 0.000) 9.127 32.189 ( 12.405 -0.000 0.000) 12.405 32.518 ( 4.717 -0.000 0.000) 4.717 32.614 ( -7.732 0.000 0.000) 7.732 33.532 ( -5.258 0.000 0.000) 5.258 ======================= Grid point 37 (26/144) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 9.031 -3.686 0.000) 9.754 1.835 ( 10.849 -8.022 0.000) 13.493 1.906 ( -10.539 0.178 0.000) 10.541 2.113 ( -2.618 6.795 0.000) 7.282 2.263 ( -3.723 -1.090 0.000) 3.880 2.499 ( -9.143 -0.547 0.000) 9.160 2.582 ( -17.718 -0.570 0.000) 17.727 2.658 ( -7.139 -0.995 0.000) 7.208 2.776 ( 5.678 9.752 0.000) 11.284 2.954 ( -4.676 -5.062 0.000) 6.891 3.096 ( 16.912 2.066 0.000) 17.038 3.203 ( 1.185 -7.852 0.000) 7.941 3.794 ( 4.692 -3.478 0.000) 5.840 4.092 ( -1.454 10.129 0.000) 10.233 4.370 ( -1.396 -0.804 0.000) 1.611 4.505 ( -11.189 -16.346 0.000) 19.809 5.338 ( 1.002 -0.261 0.000) 1.036 5.438 ( -0.393 0.081 0.000) 0.401 12.429 ( -0.719 -0.118 0.000) 0.729 12.623 ( 1.559 0.241 0.000) 1.577 13.894 ( 0.658 0.615 0.000) 0.900 14.033 ( 1.316 0.236 0.000) 1.337 17.365 ( 1.317 -0.890 0.000) 1.590 17.578 ( 0.352 -0.119 0.000) 0.372 17.708 ( -0.208 1.040 0.000) 1.061 17.726 ( -0.866 1.146 0.000) 1.437 18.898 ( 1.101 -0.617 0.000) 1.262 18.998 ( 1.751 0.284 0.000) 1.774 27.195 ( -0.215 -0.121 0.000) 0.246 27.222 ( -0.243 0.048 0.000) 0.248 31.743 ( 4.753 -2.573 0.000) 5.405 31.827 ( 7.523 2.396 0.000) 7.895 32.349 ( 12.144 0.527 0.000) 12.155 32.487 ( 5.309 11.669 0.000) 12.820 32.501 ( -6.986 2.484 0.000) 7.415 33.536 ( -6.458 -9.631 0.000) 11.596 ======================= Grid point 38 (27/144) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 7.001 -5.048 0.000) 8.631 1.812 ( -3.377 -0.230 0.000) 3.384 1.987 ( -5.312 2.486 0.000) 5.865 2.034 ( -4.717 -9.434 0.000) 10.548 2.222 ( -1.739 2.377 0.000) 2.945 2.393 ( -9.447 -1.452 0.000) 9.558 2.398 ( -8.737 -2.656 0.000) 9.132 2.414 ( -20.482 4.016 0.000) 20.872 2.835 ( 13.213 2.476 0.000) 13.443 2.997 ( -3.264 -7.856 0.000) 8.507 3.205 ( 9.059 5.645 0.000) 10.674 3.341 ( 1.672 -7.608 0.000) 7.790 3.919 ( 5.186 -3.886 0.000) 6.481 4.027 ( 4.782 3.985 0.000) 6.225 4.351 ( -2.589 -0.671 0.000) 2.674 4.572 ( -12.779 -14.693 0.000) 19.472 5.352 ( 0.556 -0.200 0.000) 0.591 5.434 ( -0.126 -0.019 0.000) 0.127 12.423 ( -0.619 -0.232 0.000) 0.661 12.635 ( 1.238 0.564 0.000) 1.361 13.890 ( 0.520 0.963 0.000) 1.095 14.042 ( 1.037 0.659 0.000) 1.228 17.398 ( 1.028 -1.524 0.000) 1.838 17.582 ( 0.199 0.050 0.000) 0.205 17.683 ( -0.275 1.977 0.000) 1.996 17.698 ( -0.339 1.475 0.000) 1.514 18.917 ( 0.492 -0.516 0.000) 0.713 19.016 ( 1.721 0.184 0.000) 1.730 27.194 ( -0.209 -0.158 0.000) 0.262 27.219 ( -0.135 -0.016 0.000) 0.136 31.851 ( 3.911 -4.580 0.000) 6.022 31.861 ( 5.290 4.530 0.000) 6.965 32.372 ( -5.428 4.010 0.000) 6.748 32.376 ( 6.230 13.303 0.000) 14.690 32.468 ( 10.529 3.674 0.000) 11.151 33.605 ( -7.055 -11.870 0.000) 13.808 ======================= Grid point 39 (28/144) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 6.403 -6.297 0.000) 8.981 1.826 ( 4.049 -0.117 0.000) 4.051 1.923 ( -6.000 -3.770 0.000) 7.086 1.932 ( -19.991 -4.172 0.000) 20.422 2.114 ( -15.289 3.573 0.000) 15.701 2.152 ( -1.118 4.606 0.000) 4.740 2.308 ( -9.239 -4.081 0.000) 10.100 2.487 ( 6.411 -5.671 0.000) 8.559 2.975 ( 8.247 -1.232 0.000) 8.338 3.081 ( -1.811 -8.335 0.000) 8.529 3.188 ( 3.759 8.032 0.000) 8.868 3.439 ( 1.211 -2.218 0.000) 2.527 4.013 ( 4.920 -0.069 0.000) 4.920 4.064 ( 6.441 0.849 0.000) 6.496 4.336 ( -3.779 -2.931 0.000) 4.783 4.607 ( -13.877 -15.561 0.000) 20.850 5.357 ( 0.057 0.083 0.000) 0.100 5.436 ( 0.181 -0.171 0.000) 0.249 12.420 ( -0.460 -0.328 0.000) 0.565 12.638 ( 0.823 0.904 0.000) 1.222 13.880 ( 0.290 1.121 0.000) 1.158 14.040 ( 0.645 1.103 0.000) 1.278 17.432 ( 0.639 -1.657 0.000) 1.776 17.582 ( 0.199 0.225 0.000) 0.300 17.647 ( -0.261 2.418 0.000) 2.432 17.677 ( 0.068 1.390 0.000) 1.392 18.924 ( 0.115 -0.013 0.000) 0.115 19.039 ( 1.564 -0.354 0.000) 1.604 27.194 ( -0.141 -0.219 0.000) 0.260 27.219 ( -0.048 -0.067 0.000) 0.083 31.832 ( 2.857 6.867 0.000) 7.438 31.952 ( 1.758 -3.146 0.000) 3.604 32.269 ( -2.502 1.917 0.000) 3.152 32.283 ( 5.800 11.010 0.000) 12.444 32.509 ( 8.206 7.591 0.000) 11.179 33.688 ( -6.111 -12.027 0.000) 13.491 ======================= Grid point 40 (29/144) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 4.978 -5.945 0.000) 7.754 1.737 ( -11.619 1.657 0.000) 11.737 1.871 ( 4.664 2.881 0.000) 5.482 1.940 ( -3.899 -7.771 0.000) 8.695 1.943 ( -8.269 -0.616 0.000) 8.292 2.088 ( -0.721 1.717 0.000) 1.862 2.289 ( -5.826 -7.447 0.000) 9.455 2.630 ( 6.196 -2.014 0.000) 6.515 3.039 ( -2.075 2.164 0.000) 2.998 3.096 ( 4.385 7.910 0.000) 9.044 3.179 ( -0.669 -7.506 0.000) 7.536 3.386 ( -2.367 8.929 0.000) 9.238 4.091 ( 6.990 0.034 0.000) 6.990 4.151 ( 6.763 -0.636 0.000) 6.793 4.320 ( -6.089 -3.221 0.000) 6.889 4.705 ( -9.764 -21.755 0.000) 23.846 5.353 ( -0.105 0.362 0.000) 0.377 5.442 ( 0.192 -0.192 0.000) 0.272 12.421 ( -0.248 -0.409 0.000) 0.478 12.631 ( 0.378 1.206 0.000) 1.263 13.867 ( 0.112 1.041 0.000) 1.047 14.028 ( 0.270 1.388 0.000) 1.415 17.456 ( 0.214 -0.686 0.000) 0.718 17.580 ( 0.102 0.474 0.000) 0.485 17.614 ( -0.106 1.647 0.000) 1.651 17.659 ( 0.138 1.301 0.000) 1.308 18.922 ( 0.061 0.346 0.000) 0.351 19.063 ( 0.959 -0.750 0.000) 1.218 27.197 ( -0.037 -0.364 0.000) 0.366 27.219 ( -0.010 -0.031 0.000) 0.033 31.749 ( 1.337 8.269 0.000) 8.377 31.945 ( -0.788 4.529 0.000) 4.597 32.197 ( 2.820 9.367 0.000) 9.782 32.293 ( 0.610 -6.360 0.000) 6.389 32.462 ( 4.638 10.795 0.000) 11.749 33.794 ( -3.332 -11.666 0.000) 12.133 ======================= Grid point 41 (30/144) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -0.000 5.972 0.000) 5.972 1.598 ( -0.000 7.981 0.000) 7.981 1.901 ( 0.000 -3.928 0.000) 3.928 1.906 ( 0.000 -1.022 0.000) 1.022 2.045 ( 0.000 -10.156 0.000) 10.156 2.089 ( 0.000 -2.428 0.000) 2.428 2.369 ( 0.000 -8.479 0.000) 8.479 2.658 ( -0.000 6.660 0.000) 6.660 2.891 ( -0.000 10.425 0.000) 10.425 3.091 ( -0.000 0.389 0.000) 0.389 3.186 ( -0.000 13.405 0.000) 13.405 3.271 ( 0.000 -5.886 0.000) 5.886 4.137 ( -0.000 0.412 0.000) 0.412 4.229 ( -0.000 0.973 0.000) 0.973 4.294 ( 0.000 -3.654 0.000) 3.654 4.986 ( 0.000 -25.532 0.000) 25.532 5.345 ( -0.000 0.690 0.000) 0.690 5.446 ( 0.000 -0.232 0.000) 0.232 12.426 ( 0.000 -0.479 0.000) 0.479 12.614 ( -0.000 1.411 0.000) 1.411 13.855 ( -0.000 0.733 0.000) 0.733 14.010 ( -0.000 1.418 0.000) 1.418 17.451 ( -0.000 1.543 0.000) 1.543 17.571 ( -0.000 0.812 0.000) 0.812 17.605 ( 0.000 -0.518 0.000) 0.518 17.642 ( -0.000 1.230 0.000) 1.230 18.916 ( -0.000 0.582 0.000) 0.582 19.082 ( 0.000 -0.889 0.000) 0.889 27.203 ( 0.000 -0.436 0.000) 0.436 27.219 ( 0.000 -0.010 0.000) 0.010 31.636 ( -0.000 8.827 0.000) 8.827 31.848 ( -0.000 7.485 0.000) 7.485 32.087 ( -0.000 8.604 0.000) 8.604 32.326 ( -0.000 12.167 0.000) 12.167 32.418 ( 0.000 -9.711 0.000) 9.711 33.930 ( 0.000 -10.367 0.000) 10.367 ======================= Grid point 48 (31/144) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 8.831 -0.000 0.000) 8.831 1.766 ( -9.642 0.000 0.000) 9.642 1.876 ( 2.253 -0.000 0.000) 2.253 2.132 ( -7.575 0.000 0.000) 7.575 2.198 ( -0.406 0.000 0.000) 0.406 2.328 ( -17.154 0.000 0.000) 17.154 2.389 ( -7.261 0.000 0.000) 7.261 2.463 ( -19.022 0.000 0.000) 19.022 2.858 ( -3.985 0.000 0.000) 3.985 2.982 ( 8.009 -0.000 0.000) 8.009 3.123 ( 1.951 -0.000 0.000) 1.951 3.313 ( 10.901 -0.000 0.000) 10.901 3.849 ( 7.070 -0.000 0.000) 7.070 4.148 ( -3.228 0.000 0.000) 3.228 4.267 ( -2.108 0.000 0.000) 2.108 4.365 ( -1.796 0.000 0.000) 1.796 5.349 ( 0.877 -0.000 0.000) 0.877 5.433 ( -0.397 0.000 0.000) 0.397 12.420 ( -0.620 0.000 0.000) 0.620 12.643 ( 1.338 -0.000 0.000) 1.338 13.906 ( 0.524 -0.000 0.000) 0.524 14.051 ( 1.223 -0.000 0.000) 1.223 17.375 ( 1.108 -0.000 0.000) 1.108 17.582 ( 0.311 -0.000 0.000) 0.311 17.713 ( -0.173 0.000 0.000) 0.173 17.722 ( -0.846 0.000 0.000) 0.846 18.907 ( 0.904 -0.000 0.000) 0.904 19.020 ( 1.380 -0.000 0.000) 1.380 27.191 ( -0.183 0.000 0.000) 0.183 27.219 ( -0.222 0.000 0.000) 0.222 31.781 ( 3.965 -0.000 0.000) 3.965 31.926 ( 5.389 -0.000 0.000) 5.389 32.435 ( -5.870 0.000 0.000) 5.870 32.518 ( 12.676 -0.000 0.000) 12.676 32.634 ( 4.067 -0.000 0.000) 4.067 33.375 ( -6.883 0.000 0.000) 6.883 ======================= Grid point 49 (32/144) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 7.109 -1.933 0.000) 7.367 1.692 ( -6.088 -4.281 0.000) 7.442 1.802 ( -16.636 -3.002 0.000) 16.905 2.004 ( -3.993 4.444 0.000) 5.974 2.186 ( -4.719 -1.346 0.000) 4.908 2.187 ( -18.644 1.289 0.000) 18.688 2.268 ( -0.742 -6.281 0.000) 6.324 2.305 ( -3.863 2.056 0.000) 4.376 2.858 ( -2.599 -5.775 0.000) 6.333 3.024 ( 7.501 3.612 0.000) 8.325 3.231 ( 1.216 -8.435 0.000) 8.523 3.381 ( 5.246 4.213 0.000) 6.728 3.953 ( 6.516 -1.823 0.000) 6.767 4.126 ( 3.757 2.327 0.000) 4.419 4.284 ( -5.545 -5.949 0.000) 8.133 4.336 ( -2.926 0.017 0.000) 2.926 5.358 ( 0.525 0.041 0.000) 0.527 5.430 ( -0.223 -0.177 0.000) 0.285 12.414 ( -0.455 -0.120 0.000) 0.471 12.656 ( 0.955 0.332 0.000) 1.011 13.907 ( 0.373 0.598 0.000) 0.705 14.062 ( 0.890 0.409 0.000) 0.980 17.393 ( 0.775 -0.820 0.000) 1.129 17.585 ( 0.198 0.006 0.000) 0.198 17.703 ( -0.165 1.141 0.000) 1.153 17.708 ( -0.489 0.650 0.000) 0.813 18.918 ( 0.481 -0.232 0.000) 0.534 19.035 ( 1.042 0.009 0.000) 1.042 27.190 ( -0.144 -0.089 0.000) 0.169 27.217 ( -0.135 -0.037 0.000) 0.140 31.843 ( 2.853 -2.590 0.000) 3.853 31.965 ( 3.311 2.402 0.000) 4.090 32.354 ( -4.121 2.145 0.000) 4.645 32.596 ( 4.008 9.180 0.000) 10.017 32.666 ( 10.643 2.913 0.000) 11.035 33.357 ( -7.150 -9.324 0.000) 11.750 ======================= Grid point 50 (33/144) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 5.505 -4.303 0.000) 6.987 1.644 ( -13.351 -4.598 0.000) 14.121 1.708 ( -5.074 -6.934 0.000) 8.592 1.953 ( 3.967 2.113 0.000) 4.494 1.969 ( -10.978 0.879 0.000) 11.013 2.125 ( -7.857 -2.620 0.000) 8.282 2.223 ( -1.391 4.823 0.000) 5.020 2.419 ( 2.592 -10.191 0.000) 10.516 2.940 ( -1.117 -8.553 0.000) 8.626 3.074 ( 4.696 1.754 0.000) 5.013 3.344 ( 2.739 5.415 0.000) 6.068 3.377 ( 0.695 -7.284 0.000) 7.317 4.061 ( 5.981 -2.251 0.000) 6.391 4.147 ( 3.206 1.783 0.000) 3.669 4.279 ( -4.954 -3.557 0.000) 6.098 4.297 ( -5.919 -3.122 0.000) 6.692 5.360 ( 0.116 0.229 0.000) 0.257 5.433 ( 0.018 -0.390 0.000) 0.391 12.412 ( -0.243 -0.228 0.000) 0.334 12.658 ( 0.480 0.684 0.000) 0.836 13.899 ( 0.172 1.032 0.000) 1.046 14.062 ( 0.430 0.883 0.000) 0.982 17.417 ( 0.380 -1.412 0.000) 1.463 17.587 ( 0.130 0.060 0.000) 0.144 17.678 ( -0.120 2.081 0.000) 2.084 17.693 ( -0.109 0.934 0.000) 0.940 18.924 ( 0.136 -0.129 0.000) 0.188 19.048 ( 0.673 -0.304 0.000) 0.738 27.190 ( -0.085 -0.151 0.000) 0.174 27.217 ( -0.044 -0.103 0.000) 0.111 31.920 ( 1.354 -4.002 0.000) 4.225 31.943 ( 1.376 4.947 0.000) 5.134 32.276 ( -1.898 2.954 0.000) 3.511 32.487 ( 2.282 10.831 0.000) 11.069 32.718 ( 6.930 6.669 0.000) 9.618 33.438 ( -4.811 -12.763 0.000) 13.640 ======================= Grid point 51 (34/144) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 -5.994 0.000) 5.994 1.623 ( 0.000 -4.493 0.000) 4.493 1.774 ( 0.000 -8.451 0.000) 8.451 1.891 ( -0.000 0.518 0.000) 0.518 1.968 ( -0.000 3.588 0.000) 3.588 2.130 ( 0.000 -7.850 0.000) 7.850 2.139 ( -0.000 5.372 0.000) 5.372 2.579 ( 0.000 -9.002 0.000) 9.002 3.058 ( 0.000 -8.733 0.000) 8.733 3.074 ( -0.000 2.433 0.000) 2.433 3.248 ( -0.000 9.121 0.000) 9.121 3.453 ( -0.000 0.337 0.000) 0.337 4.150 ( -0.000 0.478 0.000) 0.478 4.165 ( 0.000 -3.781 0.000) 3.781 4.259 ( -0.000 1.049 0.000) 1.049 4.355 ( 0.000 -15.276 0.000) 15.276 5.357 ( -0.000 0.287 0.000) 0.287 5.439 ( 0.000 -0.331 0.000) 0.331 12.414 ( 0.000 -0.325 0.000) 0.325 12.649 ( -0.000 0.996 0.000) 0.996 13.884 ( -0.000 1.182 0.000) 1.182 14.049 ( -0.000 1.250 0.000) 1.250 17.440 ( 0.000 -1.529 0.000) 1.529 17.586 ( -0.000 0.236 0.000) 0.236 17.644 ( -0.000 2.431 0.000) 2.431 17.678 ( -0.000 1.153 0.000) 1.153 18.926 ( -0.000 0.079 0.000) 0.079 19.060 ( 0.000 -0.615 0.000) 0.615 27.192 ( 0.000 -0.262 0.000) 0.262 27.218 ( 0.000 -0.097 0.000) 0.097 31.866 ( -0.000 6.938 0.000) 6.938 31.970 ( 0.000 -0.991 0.000) 0.991 32.242 ( 0.000 -0.569 0.000) 0.569 32.353 ( -0.000 10.212 0.000) 10.212 32.645 ( -0.000 9.744 0.000) 9.744 33.592 ( 0.000 -13.161 0.000) 13.161 ======================= Grid point 60 (35/144) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 4.467 -0.000 0.000) 4.467 1.572 ( -13.666 0.000 0.000) 13.666 1.596 ( -3.320 0.000 0.000) 3.320 1.967 ( -4.237 0.000 0.000) 4.237 1.981 ( -13.021 0.000 0.000) 13.021 2.131 ( -2.997 0.000 0.000) 2.997 2.236 ( 2.178 -0.000 0.000) 2.178 2.301 ( -0.572 0.000 0.000) 0.572 2.787 ( -1.446 0.000 0.000) 1.446 3.115 ( 2.549 -0.000 0.000) 2.549 3.177 ( 1.397 -0.000 0.000) 1.397 3.455 ( 1.831 -0.000 0.000) 1.831 4.019 ( 5.186 -0.000 0.000) 5.186 4.190 ( -3.285 0.000 0.000) 3.285 4.194 ( 3.767 -0.000 0.000) 3.767 4.308 ( -2.501 0.000 0.000) 2.501 5.365 ( 0.322 -0.000 0.000) 0.322 5.426 ( -0.177 0.000 0.000) 0.177 12.408 ( -0.240 0.000 0.000) 0.240 12.668 ( 0.511 -0.000 0.000) 0.511 13.915 ( 0.199 -0.000 0.000) 0.199 14.074 ( 0.501 -0.000 0.000) 0.501 17.395 ( 0.410 -0.000 0.000) 0.410 17.587 ( 0.095 -0.000 0.000) 0.095 17.707 ( -0.308 0.000 0.000) 0.308 17.709 ( -0.083 0.000 0.000) 0.083 18.921 ( 0.254 -0.000 0.000) 0.254 19.045 ( 0.486 -0.000 0.000) 0.486 27.188 ( -0.069 0.000 0.000) 0.069 27.215 ( -0.079 0.000 0.000) 0.079 31.853 ( 1.498 -0.000 0.000) 1.498 32.014 ( 1.611 -0.000 0.000) 1.611 32.328 ( -2.192 0.000 0.000) 2.192 32.712 ( 1.680 -0.000 0.000) 1.680 32.807 ( 8.630 -0.000 0.000) 8.630 33.193 ( -6.395 0.000 0.000) 6.395 ======================= Grid point 61 (36/144) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 0.000 -2.636 0.000) 2.636 1.498 ( 0.000 -2.829 0.000) 2.829 1.599 ( 0.000 -3.386 0.000) 3.386 1.895 ( 0.000 -0.149 0.000) 0.149 1.963 ( 0.000 -3.330 0.000) 3.330 2.081 ( -0.000 3.669 0.000) 3.669 2.275 ( -0.000 3.059 0.000) 3.059 2.305 ( 0.000 -7.224 0.000) 7.224 2.825 ( 0.000 -6.125 0.000) 6.125 3.124 ( -0.000 1.025 0.000) 1.025 3.245 ( 0.000 -7.858 0.000) 7.858 3.440 ( -0.000 3.673 0.000) 3.673 4.078 ( 0.000 -2.668 0.000) 2.668 4.161 ( -0.000 0.224 0.000) 0.224 4.215 ( -0.000 1.174 0.000) 1.174 4.282 ( -0.000 0.475 0.000) 0.475 5.365 ( -0.000 0.240 0.000) 0.240 5.427 ( 0.000 -0.367 0.000) 0.367 12.408 ( 0.000 -0.117 0.000) 0.117 12.669 ( -0.000 0.360 0.000) 0.360 13.912 ( -0.000 0.619 0.000) 0.619 14.074 ( -0.000 0.476 0.000) 0.476 17.403 ( 0.000 -0.795 0.000) 0.795 17.587 ( 0.000 -0.020 0.000) 0.020 17.700 ( -0.000 1.177 0.000) 1.177 17.701 ( -0.000 0.456 0.000) 0.456 18.924 ( 0.000 -0.108 0.000) 0.108 19.049 ( 0.000 -0.165 0.000) 0.165 27.188 ( 0.000 -0.069 0.000) 0.069 27.215 ( 0.000 -0.073 0.000) 0.073 31.881 ( 0.000 -2.538 0.000) 2.538 32.006 ( -0.000 2.625 0.000) 2.625 32.300 ( -0.000 1.954 0.000) 1.954 32.646 ( -0.000 9.130 0.000) 9.130 32.844 ( -0.000 3.783 0.000) 3.783 33.231 ( 0.000 -10.598 0.000) 10.598 ======================= Grid point 121 (37/144) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 0.000 0.000 11.290) 11.290 0.456 ( 0.000 0.000 22.456) 22.456 0.871 ( 0.000 0.000 40.506) 40.506 1.020 ( 0.000 0.000 -2.472) 2.472 2.291 ( 0.000 0.000 -2.471) 2.471 2.315 ( 0.000 0.000 20.803) 20.803 2.623 ( 0.000 0.000 0.711) 0.711 2.741 ( 0.000 0.000 -0.563) 0.563 2.769 ( 0.000 0.000 2.308) 2.308 2.965 ( 0.000 0.000 0.740) 0.740 3.192 ( 0.000 0.000 -2.081) 2.081 3.413 ( 0.000 0.000 -1.302) 1.302 4.141 ( 0.000 0.000 0.303) 0.303 4.170 ( 0.000 0.000 -0.090) 0.090 4.189 ( 0.000 0.000 2.368) 2.368 4.276 ( 0.000 0.000 0.238) 0.238 5.420 ( 0.000 0.000 -5.465) 5.465 6.383 ( 0.000 0.000 -10.705) 10.705 12.476 ( 0.000 0.000 0.194) 0.194 12.507 ( 0.000 0.000 -0.134) 0.134 13.857 ( 0.000 0.000 0.502) 0.502 13.947 ( 0.000 0.000 -0.474) 0.474 17.520 ( 0.000 0.000 1.199) 1.199 17.533 ( 0.000 0.000 0.083) 0.083 17.567 ( 0.000 0.000 -0.275) 0.275 17.718 ( 0.000 0.000 -0.937) 0.937 18.806 ( 0.000 0.000 0.369) 0.369 18.862 ( 0.000 0.000 -0.232) 0.232 27.203 ( 0.000 0.000 -0.009) 0.009 27.236 ( 0.000 0.000 -0.335) 0.335 31.178 ( 0.000 0.000 2.363) 2.363 31.619 ( 0.000 0.000 -2.375) 2.375 31.674 ( 0.000 0.000 2.427) 2.427 32.240 ( 0.000 0.000 -4.516) 4.516 33.082 ( 0.000 0.000 5.344) 5.344 33.775 ( 0.000 0.000 -2.992) 2.992 ======================= Grid point 122 (38/144) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 17.579 -9.284 9.618) 22.085 0.765 ( 16.284 -16.083 14.767) 27.238 1.015 ( 7.376 -18.312 29.604) 35.583 1.210 ( 15.475 -9.230 -2.427) 18.181 2.299 ( 0.484 -2.553 6.825) 7.302 2.353 ( -0.828 -5.986 10.085) 11.757 2.596 ( -0.930 2.858 1.072) 3.191 2.704 ( -4.213 2.027 -0.445) 4.696 2.780 ( 2.801 0.896 2.139) 3.637 2.913 ( -0.282 6.173 1.483) 6.355 3.230 ( 4.430 1.150 -3.359) 5.677 3.344 ( -0.217 4.058 1.656) 4.388 4.106 ( -4.386 0.697 0.532) 4.473 4.155 ( -1.795 1.674 0.057) 2.455 4.284 ( 2.060 -2.358 -1.583) 3.509 4.627 ( 10.722 -21.654 -22.831) 33.243 5.418 ( -0.248 0.095 -5.312) 5.318 6.238 ( -14.290 1.930 0.517) 14.429 12.475 ( 0.451 0.701 0.433) 0.939 12.517 ( 0.552 -0.805 -0.135) 0.985 13.849 ( 0.179 0.918 0.399) 1.017 13.951 ( 0.288 -0.176 -0.582) 0.673 17.380 ( -5.046 1.731 6.171) 8.157 17.541 ( 0.346 -0.673 -0.055) 0.759 17.630 ( 5.895 3.717 -1.950) 7.236 17.728 ( 0.349 -0.014 -0.348) 0.493 18.857 ( -0.249 -0.439 -0.767) 0.918 18.901 ( -2.924 -9.315 -4.407) 10.712 27.204 ( -0.060 -0.052 -0.017) 0.081 27.234 ( -0.068 0.093 -0.326) 0.346 31.218 ( 3.524 -2.064 2.381) 4.728 31.571 ( -5.024 -1.782 3.123) 6.178 31.736 ( 4.399 -2.286 2.699) 5.645 32.003 ( 7.496 22.108 7.807) 24.615 33.035 ( -2.235 3.602 4.966) 6.529 33.917 ( -7.544 -16.421 -12.281) 21.850 ======================= Grid point 123 (39/144) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 11.828 -12.411 9.547) 19.624 1.094 ( 10.337 -12.285 21.427) 26.775 1.534 ( 15.979 -13.008 0.462) 20.610 1.564 ( 17.373 -19.537 3.995) 26.447 2.303 ( -1.172 1.489 17.889) 17.989 2.492 ( -0.538 -0.257 0.516) 0.788 2.527 ( -1.838 1.856 -0.543) 2.667 2.608 ( 0.332 -3.516 -0.875) 3.639 2.803 ( 3.469 1.936 1.556) 4.267 2.855 ( 3.519 2.867 2.883) 5.377 3.236 ( 2.843 4.380 -2.470) 5.777 3.318 ( -2.247 -2.210 0.303) 3.166 4.015 ( -6.854 1.690 0.665) 7.090 4.079 ( -4.886 2.681 -0.022) 5.573 4.362 ( 2.940 -3.632 -1.218) 4.829 4.920 ( 4.444 -8.895 -21.722) 23.890 5.412 ( -0.392 0.085 -4.858) 4.874 6.034 ( -13.021 1.875 5.159) 14.131 12.470 ( 0.321 0.676 0.766) 1.071 12.538 ( 0.643 -0.875 -0.071) 1.089 13.840 ( 0.242 0.662 0.288) 0.761 13.958 ( 0.542 -0.081 -0.729) 0.912 17.348 ( -1.012 -1.316 3.650) 4.010 17.558 ( 0.413 -0.885 -0.466) 1.082 17.638 ( 2.768 2.599 -1.352) 4.030 17.721 ( 0.338 1.423 0.648) 1.599 18.860 ( -0.385 -0.807 -0.551) 1.051 18.964 ( -2.919 -5.192 -3.758) 7.043 27.203 ( -0.088 -0.030 -0.085) 0.126 27.231 ( -0.158 0.237 -0.315) 0.425 31.308 ( 4.660 -2.500 2.339) 5.782 31.576 ( -0.180 -3.512 4.274) 5.535 31.835 ( 4.446 -1.276 6.094) 7.650 31.888 ( 7.018 7.471 -0.360) 10.257 32.928 ( -4.121 5.555 4.938) 8.498 34.004 ( -5.808 -8.970 -10.996) 15.333 ======================= Grid point 124 (40/144) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 5.806 -12.063 13.192) 18.795 1.434 ( 13.870 -13.013 12.406) 22.708 1.782 ( 9.229 -4.629 -2.384) 10.597 2.016 ( 4.774 -7.076 -4.743) 9.765 2.218 ( -1.174 2.084 10.152) 10.430 2.398 ( -0.926 3.456 12.468) 12.971 2.495 ( 2.889 -3.483 9.181) 10.236 2.705 ( 2.160 2.620 -3.700) 5.022 2.853 ( 3.222 0.453 1.865) 3.750 2.995 ( 11.620 -9.067 -0.879) 14.765 3.208 ( 0.680 1.533 -2.642) 3.129 3.330 ( -1.475 -2.837 0.200) 3.204 3.894 ( -7.535 1.842 0.745) 7.793 3.962 ( -6.512 3.183 0.107) 7.249 4.449 ( 2.138 -3.621 -1.649) 4.517 5.054 ( 2.794 -4.605 -17.209) 18.032 5.407 ( -0.401 -0.032 -4.020) 4.040 5.850 ( -10.278 2.971 5.672) 12.109 12.466 ( 0.247 0.471 0.907) 1.052 12.557 ( 0.533 -0.724 -0.101) 0.904 13.838 ( 0.398 0.271 0.342) 0.591 13.967 ( 0.646 -0.094 -0.874) 1.091 17.370 ( 0.152 -2.236 1.896) 2.936 17.572 ( 0.137 -0.547 -1.020) 1.166 17.633 ( 1.357 1.831 -0.690) 2.382 17.698 ( -0.058 2.074 1.171) 2.382 18.871 ( 0.211 -0.971 -0.601) 1.162 18.982 ( -2.561 -2.464 -2.590) 4.398 27.203 ( -0.070 -0.040 -0.237) 0.250 27.224 ( -0.208 0.345 -0.343) 0.529 31.394 ( 3.778 -1.824 2.093) 4.689 31.655 ( 2.453 -5.185 2.548) 6.276 31.810 ( 2.210 5.608 1.064) 6.121 31.995 ( 5.766 -4.463 1.081) 7.372 32.782 ( -4.957 6.502 6.384) 10.373 34.037 ( -3.643 -4.582 -9.280) 10.972 ======================= Grid point 125 (41/144) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 2.216 -10.304 12.328) 16.219 1.763 ( 8.881 0.254 2.794) 9.313 1.822 ( -1.095 -2.441 2.260) 3.502 2.007 ( 4.403 -1.956 2.899) 5.623 2.230 ( -0.683 0.703 -2.649) 2.824 2.336 ( -0.380 3.422 16.542) 16.897 2.674 ( 0.589 2.331 -1.965) 3.105 2.775 ( 11.413 -12.309 9.130) 19.108 2.866 ( 2.327 1.451 2.986) 4.055 3.127 ( 2.021 2.808 -1.283) 3.690 3.275 ( 0.790 -5.740 -3.209) 6.623 3.388 ( 2.578 -5.340 0.240) 5.935 3.786 ( -5.281 1.212 0.698) 5.463 3.836 ( -5.466 3.318 0.326) 6.402 4.514 ( 0.996 -2.790 -3.220) 4.375 5.142 ( 2.632 -3.261 -14.104) 14.713 5.404 ( -0.270 -0.212 -2.202) 2.229 5.690 ( -7.222 3.538 4.895) 9.415 12.463 ( 0.160 0.272 0.959) 1.010 12.571 ( 0.336 -0.466 -0.174) 0.600 13.841 ( 0.431 -0.006 0.408) 0.594 13.976 ( 0.531 -0.110 -0.950) 1.094 17.406 ( 0.430 -2.086 0.616) 2.217 17.577 ( -0.126 -0.344 -1.141) 1.198 17.624 ( 0.729 1.277 -0.139) 1.477 17.664 ( -0.517 2.141 1.467) 2.647 18.892 ( 0.920 -0.881 -0.719) 1.463 18.972 ( -2.374 -0.816 -1.837) 3.111 27.202 ( -0.074 -0.003 -0.324) 0.332 27.217 ( -0.139 0.273 -0.470) 0.561 31.459 ( 2.853 -1.446 1.599) 3.576 31.731 ( -0.328 1.615 -1.671) 2.347 31.802 ( 3.584 -4.093 2.468) 5.974 32.104 ( 3.159 -1.716 -1.736) 3.992 32.635 ( -3.962 5.250 10.126) 12.074 34.045 ( -2.185 -1.952 -8.130) 8.642 ======================= Grid point 126 (42/144) ======================= q-point: ( 0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.568 -6.517 9.126) 11.229 1.619 ( -1.557 7.008 1.170) 7.274 2.032 ( 5.223 -4.523 4.542) 8.268 2.079 ( 1.664 -1.237 3.331) 3.924 2.214 ( 0.544 0.531 -1.777) 1.932 2.303 ( 0.031 1.025 17.753) 17.783 2.652 ( 0.220 1.058 -1.187) 1.605 2.833 ( -0.165 1.354 1.340) 1.912 3.044 ( 8.359 -1.974 3.282) 9.195 3.097 ( -3.654 -1.644 -0.813) 4.089 3.337 ( 0.342 -3.355 2.874) 4.431 3.467 ( 0.220 -1.789 -0.832) 1.985 3.732 ( -1.907 0.092 0.468) 1.966 3.743 ( -1.528 2.791 0.375) 3.204 4.552 ( 0.301 -1.202 -5.378) 5.519 5.209 ( 1.602 -1.694 -13.388) 13.589 5.406 ( -0.012 -0.287 2.061) 2.080 5.577 ( -3.138 2.139 2.573) 4.587 12.462 ( 0.056 0.088 0.974) 0.980 12.578 ( 0.113 -0.160 -0.227) 0.299 13.846 ( 0.191 -0.044 0.442) 0.483 13.982 ( 0.207 -0.051 -0.973) 0.996 17.433 ( 0.212 -0.885 -0.435) 1.009 17.585 ( -0.028 -0.902 -0.922) 1.290 17.613 ( 0.318 1.412 0.719) 1.616 17.633 ( -0.454 0.810 1.217) 1.531 18.919 ( 1.563 -0.611 -0.931) 1.919 18.948 ( -2.067 0.116 -1.330) 2.460 27.201 ( -0.050 0.032 -0.283) 0.289 27.214 ( -0.029 0.076 -0.654) 0.659 31.506 ( 1.482 -0.882 1.089) 2.039 31.684 ( -1.061 1.634 -0.995) 2.187 31.929 ( 3.234 -4.914 0.649) 5.918 32.108 ( -0.850 2.364 -5.349) 5.910 32.553 ( -1.149 1.611 14.276) 14.413 34.042 ( -0.766 -0.494 -7.534) 7.589 ======================= Grid point 133 (43/144) ======================= q-point: ( 0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 16.741 -0.000 11.765) 20.461 0.891 ( 7.552 -0.000 32.322) 33.192 1.122 ( 36.076 -0.000 7.297) 36.806 1.426 ( 25.716 -0.000 -1.449) 25.756 2.281 ( 2.973 -0.000 -7.250) 7.836 2.319 ( 0.288 -0.000 19.942) 19.944 2.597 ( -2.028 0.000 1.263) 2.389 2.649 ( -6.862 0.000 -0.082) 6.863 2.831 ( 4.336 -0.000 2.126) 4.829 2.936 ( -2.512 0.000 0.997) 2.702 3.233 ( -1.542 0.000 -0.313) 1.573 3.396 ( -2.310 0.000 -2.647) 3.513 4.059 ( -4.938 0.000 0.757) 4.996 4.232 ( 1.710 -0.000 2.001) 2.633 4.272 ( 2.369 -0.000 -3.811) 4.488 4.603 ( 12.194 -0.000 -22.752) 25.814 5.414 ( -0.530 0.000 -5.476) 5.501 6.002 ( -19.127 0.000 9.768) 21.477 12.486 ( 0.026 -0.000 1.036) 1.036 12.521 ( 1.096 -0.000 -0.076) 1.099 13.862 ( 0.423 -0.000 0.498) 0.653 13.955 ( 0.617 -0.000 -0.505) 0.797 17.335 ( -2.610 0.000 4.604) 5.293 17.538 ( 0.368 -0.000 -0.025) 0.369 17.715 ( -0.173 0.000 -0.984) 0.999 17.735 ( 2.299 -0.000 -4.620) 5.160 18.812 ( 0.519 -0.000 0.094) 0.527 18.854 ( 0.665 -0.000 -1.577) 1.712 27.203 ( -0.047 0.000 -0.020) 0.051 27.234 ( -0.121 0.000 -0.337) 0.358 31.274 ( 7.052 -0.000 2.455) 7.467 31.524 ( -0.418 0.000 4.068) 4.089 31.777 ( 5.101 -0.000 4.812) 7.012 32.271 ( 2.401 -0.000 -4.385) 5.000 33.022 ( -4.512 0.000 5.162) 6.856 33.667 ( -4.021 0.000 -3.418) 5.277 ======================= Grid point 134 (44/144) ======================= q-point: ( 0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 11.117 -3.380 19.357) 22.576 1.081 ( 12.550 -11.100 18.757) 25.150 1.660 ( 33.096 -8.144 1.759) 34.129 1.747 ( 22.797 2.072 -0.823) 22.906 2.309 ( -0.323 0.946 15.273) 15.306 2.431 ( 4.368 -9.596 -4.656) 11.525 2.514 ( -8.047 3.663 1.158) 8.917 2.573 ( -0.515 -1.239 1.111) 1.742 2.866 ( -0.774 2.563 1.344) 2.996 2.899 ( 2.570 -0.576 2.311) 3.504 3.225 ( -3.341 -3.267 0.537) 4.704 3.328 ( -2.057 3.770 -1.917) 4.703 3.968 ( -6.419 2.175 0.702) 6.814 4.136 ( 0.079 10.417 0.122) 10.418 4.338 ( 1.760 -3.302 -1.450) 4.013 4.816 ( 2.221 -12.161 -21.579) 24.869 5.406 ( -0.700 -0.026 -5.427) 5.472 5.799 ( -17.198 -4.024 10.338) 20.466 12.480 ( -0.222 0.438 1.349) 1.436 12.541 ( 1.271 -0.369 -0.003) 1.323 13.860 ( 0.664 1.029 0.522) 1.331 13.965 ( 0.830 -0.101 -0.605) 1.032 17.324 ( -0.109 -0.830 2.721) 2.847 17.550 ( 0.444 -0.751 -0.287) 0.919 17.698 ( 0.465 1.966 -1.760) 2.679 17.743 ( 0.265 0.996 -1.543) 1.855 18.839 ( 0.006 -1.743 -0.283) 1.766 18.886 ( 0.980 -2.574 -2.645) 3.819 27.202 ( -0.081 -0.007 -0.062) 0.102 27.231 ( -0.194 0.132 -0.337) 0.411 31.378 ( 8.390 0.154 2.426) 8.735 31.553 ( 2.512 -1.899 3.772) 4.914 31.871 ( 6.849 -2.300 4.964) 8.766 32.175 ( 5.656 15.537 -2.029) 16.659 32.926 ( -6.012 3.339 4.771) 8.370 33.744 ( -5.426 -13.920 -7.284) 16.621 ======================= Grid point 135 (45/144) ======================= q-point: ( 0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 6.533 -7.380 21.739) 23.869 1.445 ( 15.225 -12.953 7.383) 21.309 1.950 ( 16.890 3.459 -0.786) 17.259 2.080 ( 12.599 1.555 -5.476) 13.826 2.238 ( -2.016 3.810 9.393) 10.335 2.404 ( 0.340 -1.992 10.520) 10.712 2.479 ( 0.312 -1.401 7.270) 7.410 2.715 ( 0.550 -3.004 -4.417) 5.370 2.858 ( 1.279 -2.939 1.677) 3.618 2.991 ( 5.324 -7.744 -0.672) 9.422 3.229 ( -4.164 -1.986 -0.986) 4.717 3.262 ( -0.704 0.569 0.365) 0.976 3.854 ( -5.163 2.426 0.430) 5.721 3.976 ( -2.922 8.718 0.280) 9.199 4.407 ( 0.498 -3.987 -1.208) 4.196 4.975 ( -0.844 -9.590 -17.226) 19.733 5.398 ( -0.727 -0.171 -4.997) 5.053 5.660 ( -14.368 -4.681 8.222) 17.203 12.471 ( -0.298 0.295 1.323) 1.388 12.561 ( 1.207 -0.224 -0.035) 1.229 13.855 ( 0.844 0.967 0.531) 1.390 13.977 ( 0.931 0.064 -0.750) 1.198 17.348 ( 0.792 -1.691 1.609) 2.465 17.565 ( 0.248 -0.642 -0.776) 1.037 17.675 ( 0.534 2.056 -1.354) 2.519 17.722 ( -0.477 1.714 -0.051) 1.780 18.864 ( 0.878 -1.175 -0.559) 1.569 18.927 ( -0.133 -2.062 -2.446) 3.202 27.201 ( -0.089 -0.042 -0.178) 0.203 27.225 ( -0.242 0.255 -0.359) 0.503 31.469 ( 7.788 1.659 2.140) 8.245 31.637 ( 4.196 -3.673 2.885) 6.278 31.982 ( 6.438 4.727 2.474) 8.362 32.059 ( 6.837 6.632 -0.385) 9.533 32.786 ( -6.631 4.622 5.402) 9.721 33.856 ( -5.679 -11.533 -8.043) 15.164 ======================= Grid point 136 (46/144) ======================= q-point: ( 0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 3.992 -7.920 17.773) 19.864 1.784 ( 7.682 -8.247 0.379) 11.277 1.926 ( 1.067 9.634 2.999) 10.146 2.123 ( 13.306 2.954 -0.024) 13.630 2.221 ( -0.875 0.720 2.225) 2.497 2.379 ( -0.761 3.120 13.274) 13.657 2.651 ( -1.411 -2.622 -1.696) 3.426 2.762 ( 8.226 -8.869 7.829) 14.409 2.859 ( -2.119 0.608 2.062) 3.019 3.124 ( -8.583 -3.363 -2.072) 9.448 3.191 ( -0.497 -4.287 -3.172) 5.356 3.336 ( 3.765 -5.498 1.738) 6.887 3.792 ( 0.917 2.827 -0.007) 2.972 3.846 ( -1.647 4.013 0.222) 4.343 4.459 ( -1.178 -4.104 -1.926) 4.684 5.080 ( -1.643 -7.789 -13.759) 15.896 5.392 ( -0.734 -0.410 -3.538) 3.637 5.558 ( -10.801 -3.643 5.825) 12.801 12.464 ( -0.371 0.086 1.223) 1.281 12.577 ( 1.036 0.053 -0.149) 1.048 13.855 ( 0.801 0.682 0.519) 1.173 13.987 ( 0.854 0.262 -0.873) 1.249 17.387 ( 1.024 -1.957 0.848) 2.366 17.572 ( -0.016 -0.200 -1.083) 1.101 17.654 ( 0.457 1.751 -0.581) 1.901 17.685 ( -0.837 2.140 0.558) 2.365 18.895 ( 1.441 -1.083 -0.702) 1.935 18.940 ( -0.460 -0.574 -1.881) 2.019 27.201 ( -0.107 -0.052 -0.278) 0.303 27.219 ( -0.187 0.253 -0.450) 0.549 31.534 ( 7.090 2.640 1.702) 7.754 31.757 ( 5.116 -4.452 1.055) 6.863 31.895 ( 4.461 11.165 -0.069) 12.024 32.142 ( 5.193 -0.296 -0.556) 5.231 32.641 ( -5.465 4.078 8.534) 10.924 33.924 ( -5.035 -8.122 -7.616) 12.220 ======================= Grid point 137 (47/144) ======================= q-point: ( 0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 1.198 -5.938 11.957) 13.404 1.710 ( -0.308 6.596 1.855) 6.859 2.065 ( 5.881 -4.484 -1.176) 7.488 2.173 ( 4.062 7.033 4.658) 9.362 2.222 ( 3.876 1.416 3.059) 5.136 2.347 ( 1.727 2.904 14.825) 15.205 2.611 ( -5.440 -1.497 -2.357) 6.114 2.766 ( -9.358 -2.720 2.917) 10.172 2.991 ( -2.878 -2.181 2.762) 4.546 3.049 ( -1.272 -7.023 -0.913) 7.195 3.264 ( -0.545 -6.812 0.639) 6.864 3.430 ( 1.313 -2.334 1.449) 3.045 3.770 ( 3.812 3.424 0.569) 5.155 3.824 ( 3.550 3.607 -0.572) 5.094 4.497 ( -2.156 -4.328 -4.047) 6.305 5.152 ( -3.177 -6.381 -12.354) 14.263 5.391 ( -0.816 -0.919 0.692) 1.410 5.493 ( -6.392 -3.318 2.284) 7.556 12.459 ( -0.436 -0.096 1.124) 1.210 12.586 ( 0.807 0.363 -0.271) 0.925 13.855 ( 0.507 0.559 0.477) 0.892 13.991 ( 0.575 0.482 -0.963) 1.221 17.425 ( 0.921 -1.379 0.096) 1.661 17.575 ( 0.025 -0.391 -0.744) 0.841 17.639 ( 0.461 1.364 -0.168) 1.449 17.643 ( -0.928 1.979 0.965) 2.390 18.924 ( -0.158 -0.640 -0.835) 1.064 18.943 ( 1.650 0.151 -1.354) 2.139 27.200 ( -0.108 -0.044 -0.271) 0.295 27.214 ( -0.065 0.120 -0.603) 0.618 31.573 ( 5.496 3.639 1.282) 6.715 31.795 ( 5.895 9.081 -1.266) 10.900 31.905 ( 3.934 -4.921 0.973) 6.375 32.150 ( 0.311 4.058 -4.547) 6.102 32.552 ( -2.182 1.314 13.049) 13.295 33.964 ( -3.963 -5.978 -7.271) 10.213 ======================= Grid point 138 (48/144) ======================= q-point: (-0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 2.128 -5.631 6.841) 9.112 1.664 ( 3.869 5.471 3.926) 7.766 2.073 ( -2.739 7.843 5.196) 9.799 2.145 ( 0.340 -2.908 -3.094) 4.259 2.177 ( -1.771 7.803 5.127) 9.503 2.321 ( 0.644 2.473 14.940) 15.157 2.579 ( -4.892 -3.520 -2.105) 6.384 2.718 ( -8.920 -7.521 4.307) 12.438 2.941 ( -4.084 -0.436 2.364) 4.739 3.126 ( -0.659 -1.958 -2.963) 3.612 3.346 ( -1.041 -3.709 4.535) 5.950 3.430 ( -2.562 0.881 0.187) 2.715 3.800 ( 6.317 2.260 0.617) 6.737 3.825 ( 6.630 3.332 -0.339) 7.428 4.519 ( -2.819 -2.875 -5.227) 6.598 5.162 ( -5.594 -3.014 -12.951) 14.426 5.398 ( -0.419 -0.939 1.535) 1.848 5.509 ( -1.805 -6.911 2.408) 7.538 12.456 ( -0.474 -0.244 1.032) 1.161 12.587 ( 0.537 0.670 -0.353) 0.928 13.851 ( 0.140 0.583 0.394) 0.717 13.987 ( 0.190 0.669 -1.036) 1.248 17.444 ( 0.608 0.196 -0.255) 0.688 17.588 ( 0.191 -1.164 -0.255) 1.207 17.605 ( -0.615 1.640 0.626) 1.860 17.633 ( 0.292 0.292 0.588) 0.718 18.914 ( -0.555 0.579 -0.692) 1.060 18.977 ( 2.668 -0.282 -1.305) 2.984 27.200 ( -0.005 -0.124 -0.249) 0.278 27.213 ( 0.002 0.002 -0.645) 0.645 31.560 ( 2.557 5.397 1.320) 6.116 31.776 ( 7.676 5.986 -0.965) 9.782 31.958 ( -1.420 3.242 0.979) 3.672 32.107 ( 1.526 0.270 -6.236) 6.426 32.538 ( -0.143 -1.270 14.139) 14.196 33.998 ( -2.667 -4.860 -7.384) 9.233 ======================= Grid point 139 (49/144) ======================= q-point: (-0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.412 10.675 9.966) 14.610 1.687 ( -1.200 -0.912 -1.408) 2.063 1.892 ( -1.522 5.121 8.638) 10.156 2.041 ( -2.345 7.137 0.960) 7.573 2.196 ( 0.253 -3.919 -3.342) 5.157 2.305 ( -0.533 -1.166 16.799) 16.848 2.580 ( -4.264 -4.835 -2.225) 6.820 2.717 ( -8.827 -5.332 7.485) 12.743 2.830 ( -4.519 9.051 5.031) 11.298 3.109 ( -1.170 1.255 -1.864) 2.534 3.314 ( -3.995 4.714 -0.702) 6.219 3.365 ( -4.938 -0.994 0.720) 5.088 3.876 ( 8.515 0.262 0.701) 8.548 3.910 ( 9.003 0.082 -0.344) 9.010 4.501 ( -3.700 -0.514 -3.900) 5.401 5.113 ( -5.306 -0.642 -14.799) 15.735 5.403 ( -0.109 -0.388 -2.164) 2.202 5.631 ( 0.690 -10.727 5.670) 12.153 12.454 ( -0.466 -0.365 0.929) 1.101 12.581 ( 0.237 0.950 -0.381) 1.051 13.843 ( -0.029 0.543 0.247) 0.597 13.978 ( -0.131 0.719 -1.090) 1.312 17.434 ( 0.302 1.871 0.641) 2.000 17.583 ( -0.479 0.561 0.057) 0.740 17.605 ( 0.121 -0.660 -0.514) 0.845 17.641 ( 0.031 -1.249 1.334) 1.828 18.899 ( -0.076 0.916 -0.452) 1.024 19.013 ( 2.688 0.084 -1.648) 3.154 27.203 ( 0.090 -0.103 -0.289) 0.320 27.215 ( 0.072 -0.203 -0.484) 0.530 31.501 ( 1.040 5.831 1.847) 6.204 31.801 ( 6.863 4.509 -1.289) 8.312 31.838 ( -3.247 6.774 1.687) 7.699 32.110 ( -0.633 2.738 -3.469) 4.465 32.596 ( 2.016 -5.553 11.193) 12.656 34.034 ( -1.406 -3.932 -8.050) 9.069 ======================= Grid point 140 (50/144) ======================= q-point: (-0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -4.118 15.720 5.836) 17.266 1.477 ( -7.837 12.847 13.272) 20.065 1.825 ( -3.886 10.185 -3.786) 11.539 2.070 ( 5.662 -3.359 1.356) 6.722 2.219 ( -0.720 2.297 3.916) 4.597 2.345 ( 0.222 -4.664 13.138) 13.943 2.508 ( -7.160 8.484 12.404) 16.646 2.605 ( -3.210 -5.228 -2.762) 6.728 2.755 ( -4.164 -2.921 3.347) 6.089 3.018 ( -6.168 9.450 0.192) 11.287 3.170 ( -5.067 0.348 -2.702) 5.753 3.355 ( 0.111 -0.424 -0.535) 0.691 3.992 ( 8.874 -0.173 0.315) 8.881 4.033 ( 8.568 -0.917 -0.052) 8.617 4.441 ( -4.652 1.262 -2.160) 5.282 5.050 ( -4.134 1.183 -17.986) 18.493 5.408 ( 0.064 -0.281 -3.714) 3.725 5.817 ( 2.557 -12.322 6.198) 14.028 12.454 ( -0.400 -0.470 0.788) 1.001 12.567 ( -0.040 1.168 -0.375) 1.228 13.837 ( 0.074 0.313 0.010) 0.322 13.965 ( -0.275 0.586 -1.082) 1.261 17.406 ( 0.404 2.466 2.248) 3.361 17.570 ( -0.979 0.115 -0.265) 1.021 17.607 ( -0.303 0.124 -0.441) 0.549 17.666 ( -0.182 -2.190 1.229) 2.518 18.886 ( 0.279 1.017 -0.356) 1.113 19.041 ( 2.543 0.811 -2.297) 3.521 27.204 ( 0.108 0.029 -0.261) 0.284 27.221 ( 0.138 -0.408 -0.311) 0.531 31.424 ( -0.268 5.839 2.336) 6.295 31.711 ( -2.035 5.896 3.651) 7.227 31.811 ( 3.892 3.954 -0.866) 5.616 32.012 ( -3.356 6.481 -0.579) 7.321 32.730 ( 2.935 -7.897 7.311) 11.155 34.071 ( -0.078 -2.594 -9.312) 9.667 ======================= Grid point 141 (51/144) ======================= q-point: (-0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -5.648 18.528 3.749) 19.729 1.199 ( -4.244 15.455 19.047) 24.893 1.581 ( -6.335 14.462 -3.276) 16.124 1.789 ( -6.368 28.673 7.910) 30.418 2.292 ( 1.634 -2.674 19.119) 19.375 2.445 ( 1.683 -7.199 3.155) 8.038 2.503 ( 1.837 -6.513 0.577) 6.792 2.634 ( -0.224 -1.489 -1.995) 2.499 2.746 ( -3.595 -2.856 3.142) 5.564 2.779 ( -5.648 7.756 2.454) 9.904 3.154 ( -2.164 -2.396 -2.076) 3.838 3.360 ( 0.697 0.759 -0.954) 1.404 4.092 ( 5.903 -0.183 0.302) 5.913 4.140 ( 6.428 -0.139 -0.095) 6.431 4.354 ( -4.574 2.051 -1.227) 5.161 4.965 ( -3.107 4.653 -21.720) 22.429 5.413 ( 0.104 -0.270 -4.482) 4.491 6.035 ( 3.703 -12.216 4.610) 13.572 12.457 ( -0.260 -0.556 0.593) 0.854 12.548 ( -0.187 1.278 -0.363) 1.342 13.837 ( 0.186 -0.006 -0.287) 0.342 13.955 ( -0.226 0.335 -0.954) 1.036 17.383 ( 0.920 1.710 4.240) 4.663 17.551 ( -1.637 0.158 -0.029) 1.645 17.596 ( -0.709 0.427 -0.404) 0.921 17.694 ( -0.163 -1.961 0.873) 2.152 18.877 ( 0.315 0.930 -0.393) 1.057 19.053 ( 2.175 1.915 -3.694) 4.695 27.205 ( 0.093 0.052 -0.119) 0.160 27.228 ( 0.094 -0.363 -0.274) 0.464 31.330 ( -1.298 5.787 2.546) 6.455 31.633 ( 0.157 2.884 6.376) 7.000 31.790 ( 1.036 3.324 0.953) 3.610 31.865 ( -4.225 6.840 0.299) 8.045 32.874 ( 1.958 -7.558 5.446) 9.519 34.103 ( 1.356 -0.643 -11.494) 11.591 ======================= Grid point 142 (52/144) ======================= q-point: (-0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.000 20.973 4.224) 21.395 0.933 ( -0.000 17.656 19.221) 26.099 1.301 ( -0.000 16.249 -2.916) 16.508 1.313 ( -0.000 29.524 19.492) 35.378 2.313 ( -0.000 0.052 18.033) 18.033 2.478 ( -0.000 9.291 -0.053) 9.291 2.543 ( 0.000 -5.274 1.115) 5.391 2.698 ( 0.000 -3.154 -0.852) 3.267 2.744 ( 0.000 -1.516 2.510) 2.932 2.777 ( 0.000 -10.255 3.365) 10.793 3.166 ( 0.000 -1.701 -2.037) 2.654 3.348 ( -0.000 1.473 0.005) 1.473 4.135 ( 0.000 -0.216 0.399) 0.453 4.182 ( -0.000 0.667 -0.196) 0.695 4.292 ( -0.000 1.751 -1.133) 2.085 4.824 ( -0.000 12.885 -25.318) 28.408 5.417 ( 0.000 -0.216 -4.983) 4.988 6.230 ( 0.000 -10.125 0.482) 10.137 12.463 ( 0.000 -0.596 0.387) 0.710 12.528 ( -0.000 1.200 -0.308) 1.239 13.840 ( 0.000 -0.314 -0.293) 0.429 13.951 ( -0.000 0.122 -0.733) 0.743 17.387 ( 0.000 -1.180 6.500) 6.606 17.533 ( -0.000 0.151 0.137) 0.204 17.580 ( -0.000 0.789 -0.364) 0.869 17.716 ( 0.000 -1.254 0.531) 1.362 18.867 ( -0.000 0.727 -0.551) 0.912 19.029 ( -0.000 4.479 -6.319) 7.745 27.205 ( -0.000 0.050 -0.030) 0.059 27.233 ( 0.000 -0.212 -0.297) 0.364 31.243 ( -0.000 4.533 2.503) 5.178 31.651 ( 0.000 -3.603 8.669) 9.388 31.712 ( -0.000 6.408 -2.538) 6.892 31.779 ( 0.000 -0.832 8.782) 8.821 32.983 ( 0.000 -5.816 4.839) 7.566 34.103 ( -0.000 3.696 -15.193) 15.636 ======================= Grid point 145 (53/144) ======================= q-point: ( 0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 6.498 -0.000 32.116) 32.767 1.178 ( 17.248 -0.000 3.269) 17.555 2.062 ( 33.912 -0.000 0.733) 33.920 2.099 ( 23.207 -0.000 0.096) 23.207 2.332 ( 0.644 -0.000 15.033) 15.047 2.373 ( 1.264 -0.000 -9.085) 9.173 2.422 ( -9.129 0.000 3.365) 9.729 2.558 ( 0.996 -0.000 0.471) 1.102 2.828 ( -5.827 0.000 1.891) 6.126 2.939 ( 2.694 -0.000 2.533) 3.698 3.147 ( -4.422 0.000 1.998) 4.852 3.303 ( -4.653 0.000 -1.943) 5.042 3.889 ( -7.991 0.000 0.743) 8.025 4.274 ( 1.675 -0.000 2.213) 2.776 4.332 ( 2.016 -0.000 -2.754) 3.413 4.674 ( -5.930 0.000 -19.665) 20.539 5.395 ( -0.835 0.000 -5.940) 5.998 5.565 ( -13.516 0.000 10.589) 17.170 12.476 ( -0.647 0.000 1.702) 1.820 12.558 ( 1.635 -0.000 -0.053) 1.635 13.877 ( 0.661 -0.000 0.488) 0.822 13.977 ( 1.092 -0.000 -0.600) 1.246 17.323 ( 0.786 -0.000 1.912) 2.068 17.552 ( 0.642 -0.000 -0.208) 0.675 17.709 ( -0.251 0.000 -1.146) 1.173 17.750 ( -0.414 0.000 -2.489) 2.523 18.835 ( 1.278 -0.000 -0.258) 1.304 18.895 ( 2.165 -0.000 -2.393) 3.228 27.200 ( -0.137 0.000 -0.046) 0.144 27.229 ( -0.242 0.000 -0.343) 0.420 31.505 ( 10.201 -0.000 2.431) 10.486 31.582 ( 4.036 -0.000 3.679) 5.461 31.954 ( 8.752 -0.000 4.705) 9.937 32.358 ( 4.221 -0.000 -3.893) 5.743 32.866 ( -7.261 0.000 4.823) 8.717 33.574 ( -3.774 0.000 -6.264) 7.313 ======================= Grid point 146 (54/144) ======================= q-point: ( 0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 6.774 -2.655 26.935) 27.901 1.463 ( 14.029 -9.688 0.927) 17.075 2.223 ( -7.943 6.247 1.382) 10.199 2.249 ( 7.817 4.844 6.249) 11.119 2.287 ( 4.777 5.673 -1.583) 7.584 2.424 ( 5.927 0.346 5.860) 8.342 2.517 ( 19.285 -2.575 3.518) 19.771 2.667 ( 1.441 -4.638 -3.328) 5.888 2.786 ( -1.826 -6.379 1.933) 6.911 2.949 ( -2.216 -1.166 2.698) 3.681 3.115 ( -4.964 -3.323 1.990) 6.296 3.241 ( -3.978 -0.697 -1.153) 4.200 3.797 ( -5.129 -0.613 0.447) 5.185 4.131 ( -1.079 14.846 -0.394) 14.890 4.369 ( 0.507 -1.903 -1.372) 2.400 4.724 ( -8.989 -16.588 -12.734) 22.763 5.385 ( -0.821 -0.112 -6.054) 6.110 5.446 ( -8.669 -2.585 6.659) 11.233 12.467 ( -0.713 0.071 1.667) 1.814 12.579 ( 1.601 0.049 -0.124) 1.607 13.880 ( 0.785 0.771 0.505) 1.211 13.992 ( 1.185 0.064 -0.709) 1.382 17.343 ( 1.237 -0.904 1.415) 2.085 17.563 ( 0.538 -0.357 -0.391) 0.755 17.699 ( -0.145 0.986 -1.245) 1.595 17.734 ( -0.743 1.085 -1.454) 1.960 18.861 ( 1.344 -1.003 -0.363) 1.715 18.926 ( 2.005 -0.296 -2.223) 3.008 27.199 ( -0.168 -0.053 -0.098) 0.202 27.225 ( -0.275 0.136 -0.356) 0.470 31.617 ( 9.595 2.305 2.110) 10.091 31.656 ( 5.023 -2.007 3.501) 6.443 32.086 ( 9.589 -0.960 3.210) 10.157 32.317 ( 5.707 12.365 -2.463) 13.839 32.746 ( -7.620 2.840 4.674) 9.379 33.613 ( -5.174 -11.051 -6.937) 14.036 ======================= Grid point 147 (55/144) ======================= q-point: ( 0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 5.268 -4.598 21.583) 22.687 1.746 ( 5.364 -8.855 -5.321) 11.640 2.028 ( -3.406 6.898 4.252) 8.790 2.217 ( -1.220 -0.963 7.356) 7.518 2.372 ( 4.762 -0.815 4.022) 6.287 2.422 ( 9.690 8.263 5.163) 13.742 2.599 ( -4.911 1.058 -0.757) 5.080 2.750 ( -3.418 1.341 2.358) 4.364 2.862 ( 4.369 -2.721 2.359) 5.662 2.925 ( -7.852 -4.578 -0.235) 9.092 3.098 ( -2.837 -4.109 0.126) 4.995 3.293 ( 1.872 -7.025 0.735) 7.308 3.808 ( 2.190 -3.339 -0.431) 4.016 3.944 ( 0.882 9.414 -0.107) 9.456 4.393 ( -1.472 -2.243 -1.198) 2.938 4.837 ( -9.782 -15.652 -8.674) 20.394 5.375 ( -1.422 -0.328 -3.767) 4.040 5.400 ( -4.530 -2.641 1.346) 5.414 12.457 ( -0.695 -0.028 1.517) 1.669 12.596 ( 1.407 0.297 -0.265) 1.463 13.878 ( 0.807 0.945 0.514) 1.345 14.004 ( 1.106 0.354 -0.850) 1.439 17.377 ( 1.325 -1.528 1.090) 2.297 17.572 ( 0.278 -0.112 -0.605) 0.675 17.680 ( -0.090 1.448 -0.861) 1.687 17.703 ( -0.746 1.798 -0.705) 2.071 18.893 ( 1.073 -1.180 -0.461) 1.660 18.950 ( 1.808 0.235 -1.785) 2.551 27.198 ( -0.181 -0.100 -0.184) 0.277 27.219 ( -0.226 0.179 -0.411) 0.502 31.691 ( 8.828 4.016 1.821) 9.868 31.762 ( 5.133 -3.816 2.725) 6.953 32.153 ( 7.193 11.157 -1.820) 13.399 32.244 ( 7.044 5.332 0.534) 8.851 32.612 ( -6.314 2.556 6.565) 9.460 33.706 ( -6.061 -11.684 -6.900) 14.862 ======================= Grid point 148 (56/144) ======================= q-point: ( 0.45 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 2.894 -4.237 15.119) 15.966 1.780 ( 0.089 2.499 -0.358) 2.526 1.999 ( -3.385 -4.268 -3.545) 6.499 2.286 ( 3.268 1.256 9.010) 9.666 2.346 ( 1.169 -0.937 12.185) 12.276 2.459 ( 3.842 10.179 1.804) 11.028 2.499 ( -8.058 -0.859 -1.352) 8.215 2.590 ( -12.565 1.855 5.466) 13.828 2.811 ( -7.347 -8.566 -0.721) 11.309 3.024 ( 4.246 -2.164 -1.225) 4.921 3.164 ( 0.814 -5.555 2.343) 6.084 3.404 ( 1.284 -4.656 0.821) 4.899 3.891 ( 4.590 0.858 -0.481) 4.695 3.901 ( 5.701 2.529 0.017) 6.237 4.400 ( -3.136 -3.453 -2.183) 5.150 4.910 ( -11.299 -13.743 -6.658) 18.996 5.363 ( -1.413 -0.985 -0.343) 1.756 5.395 ( -1.850 -2.046 -3.176) 4.206 12.450 ( -0.650 -0.153 1.361) 1.516 12.606 ( 1.133 0.602 -0.426) 1.352 13.873 ( 0.590 0.968 0.476) 1.229 14.009 ( 0.852 0.733 -0.988) 1.496 17.417 ( 1.213 -1.636 0.778) 2.180 17.575 ( 0.210 0.057 -0.511) 0.556 17.656 ( -0.440 1.569 -0.023) 1.629 17.668 ( -0.169 1.985 -0.605) 2.082 18.915 ( 0.312 -0.542 -0.508) 0.805 18.972 ( 2.314 0.159 -1.335) 2.676 27.197 ( -0.173 -0.112 -0.212) 0.296 27.215 ( -0.106 0.100 -0.518) 0.538 31.726 ( 6.868 5.630 1.658) 9.034 31.889 ( 4.401 -4.743 1.644) 6.676 32.063 ( 9.122 13.410 -1.408) 16.280 32.232 ( 1.298 6.066 -3.758) 7.253 32.537 ( -1.867 0.525 10.649) 10.824 33.783 ( -5.952 -10.143 -6.711) 13.541 ======================= Grid point 149 (57/144) ======================= q-point: (-0.45 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 3.827 -5.174 8.920) 10.999 1.782 ( 4.770 2.831 3.953) 6.812 2.006 ( -7.774 -6.268 -4.775) 11.069 2.139 ( -8.634 8.867 4.221) 13.076 2.271 ( -5.782 4.747 7.791) 10.801 2.350 ( -8.934 2.781 5.123) 10.668 2.479 ( -6.413 -2.768 2.591) 7.450 2.516 ( 5.415 -4.622 10.110) 12.366 2.915 ( 4.350 -3.801 -0.822) 5.835 3.072 ( -0.615 -1.804 -2.531) 3.169 3.242 ( -1.885 -5.633 3.064) 6.684 3.438 ( -0.847 1.159 1.162) 1.847 3.927 ( 6.136 3.416 1.076) 7.105 3.951 ( 7.044 1.449 -0.977) 7.257 4.414 ( -4.114 -4.693 -3.783) 7.298 4.940 ( -11.952 -12.021 -7.666) 18.604 5.374 ( -0.216 -1.844 0.235) 1.872 5.408 ( -1.364 -3.130 -2.273) 4.102 12.445 ( -0.567 -0.259 1.219) 1.369 12.608 ( 0.799 0.908 -0.553) 1.330 13.865 ( 0.278 0.980 0.377) 1.086 14.005 ( 0.496 1.076 -1.120) 1.630 17.450 ( 1.021 -0.876 0.559) 1.457 17.578 ( 0.179 -0.308 0.019) 0.357 17.623 ( -0.572 1.867 0.239) 1.967 17.648 ( 0.271 1.183 -0.334) 1.259 18.918 ( 0.097 0.336 -0.336) 0.485 19.005 ( 2.417 -0.360 -1.221) 2.732 27.197 ( -0.081 -0.200 -0.196) 0.292 27.213 ( -0.016 0.023 -0.585) 0.585 31.702 ( 4.218 7.585 1.892) 8.883 31.960 ( 1.644 1.547 0.115) 2.260 32.033 ( 8.379 9.084 0.458) 12.367 32.161 ( 2.795 3.696 -6.024) 7.600 32.521 ( -0.576 0.084 11.930) 11.944 33.846 ( -5.097 -9.038 -6.840) 12.428 ======================= Grid point 150 (58/144) ======================= q-point: (-0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 4.619 -3.267 8.319) 10.060 1.732 ( -2.849 9.762 -0.575) 10.185 1.898 ( -5.024 1.315 5.949) 7.896 2.009 ( -6.923 -1.851 -1.587) 7.340 2.181 ( -2.879 -0.790 1.967) 3.575 2.262 ( -2.286 -1.208 13.938) 14.176 2.458 ( -5.330 -4.891 0.601) 7.259 2.620 ( 4.585 -0.204 9.287) 10.359 2.931 ( 0.979 8.680 1.929) 8.945 3.080 ( -1.941 -2.596 -2.245) 3.943 3.264 ( -5.192 -2.186 -0.506) 5.656 3.341 ( -3.370 5.559 2.788) 7.073 3.993 ( 8.563 0.513 0.787) 8.614 4.035 ( 8.457 0.870 -1.042) 8.565 4.412 ( -5.412 -3.273 -3.606) 7.280 4.954 ( -9.358 -9.562 -12.696) 18.445 5.393 ( -0.057 -0.897 -3.116) 3.243 5.472 ( -1.176 -8.676 4.639) 9.908 12.443 ( -0.435 -0.341 1.071) 1.205 12.601 ( 0.438 1.182 -0.617) 1.404 13.854 ( 0.098 0.871 0.197) 0.898 13.992 ( 0.181 1.236 -1.237) 1.758 17.462 ( 0.744 0.916 1.047) 1.577 17.581 ( -0.574 0.272 0.716) 0.957 17.604 ( 0.372 -0.093 -0.260) 0.463 17.637 ( -0.005 0.681 0.034) 0.682 18.912 ( 0.233 0.723 -0.136) 0.772 19.040 ( 2.003 -0.486 -1.369) 2.474 27.201 ( 0.040 -0.301 -0.200) 0.364 27.214 ( 0.030 -0.058 -0.516) 0.520 31.631 ( 2.596 8.359 2.446) 9.088 31.896 ( -1.940 6.335 1.209) 6.735 31.991 ( 5.735 7.714 -1.393) 9.712 32.183 ( 4.970 4.865 -5.015) 8.574 32.537 ( -0.160 -4.178 11.463) 12.201 33.912 ( -3.618 -8.201 -7.421) 11.637 ======================= Grid point 151 (59/144) ======================= q-point: (-0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -4.767 13.739 1.215) 14.593 1.594 ( -0.669 11.007 13.827) 17.686 1.872 ( -4.867 3.238 -4.868) 7.607 2.042 ( 4.924 -9.323 4.554) 11.485 2.225 ( 0.805 -5.088 1.366) 5.330 2.276 ( -1.111 -2.469 14.553) 14.803 2.487 ( -2.732 -6.544 -1.505) 7.250 2.591 ( -1.146 11.833 11.800) 16.750 2.769 ( 0.670 8.244 2.627) 8.679 3.075 ( -4.123 7.611 0.058) 8.657 3.099 ( -5.003 0.374 -0.977) 5.111 3.330 ( -0.315 -2.641 -0.396) 2.689 4.094 ( 6.367 0.167 0.363) 6.379 4.140 ( 8.249 0.127 -0.492) 8.265 4.368 ( -6.225 -1.411 -2.425) 6.828 4.971 ( -4.496 -5.130 -18.407) 19.630 5.402 ( -0.035 -0.556 -4.066) 4.104 5.624 ( -0.624 -14.239 7.991) 16.340 12.444 ( -0.245 -0.408 0.900) 1.018 12.586 ( 0.129 1.383 -0.620) 1.521 13.845 ( 0.084 0.573 -0.071) 0.584 13.976 ( 0.004 1.135 -1.296) 1.723 17.446 ( 0.450 2.235 2.448) 3.345 17.564 ( -0.660 0.721 0.238) 1.006 17.616 ( 0.496 0.458 -0.602) 0.904 17.635 ( -0.399 -1.502 0.769) 1.734 18.904 ( 0.241 0.896 -0.078) 0.931 19.068 ( 1.249 -0.326 -1.738) 2.165 27.205 ( 0.072 -0.150 -0.246) 0.297 27.217 ( 0.049 -0.314 -0.332) 0.460 31.536 ( 1.057 8.438 2.829) 8.962 31.777 ( -1.272 6.765 2.666) 7.382 31.948 ( 2.721 6.420 -0.827) 7.022 32.111 ( 1.187 10.031 -3.074) 10.559 32.638 ( 0.935 -8.362 8.273) 11.800 33.986 ( -1.612 -6.993 -8.433) 11.073 ======================= Grid point 152 (60/144) ======================= q-point: (-0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -0.000 17.104 2.235) 17.249 1.396 ( -0.000 15.098 16.606) 22.443 1.733 ( -0.000 11.187 -4.036) 11.892 2.120 ( -0.000 17.159 1.093) 17.194 2.258 ( 0.000 -3.953 18.058) 18.486 2.347 ( 0.000 -8.158 2.310) 8.479 2.420 ( 0.000 -0.637 9.776) 9.796 2.564 ( 0.000 -6.194 -1.521) 6.378 2.725 ( -0.000 1.706 2.875) 3.343 2.875 ( -0.000 10.791 1.707) 10.925 3.109 ( 0.000 -2.002 -1.759) 2.665 3.359 ( 0.000 -1.351 -1.303) 1.877 4.134 ( -0.000 0.159 0.500) 0.525 4.202 ( -0.000 0.719 -0.323) 0.788 4.324 ( 0.000 -0.127 -1.561) 1.566 4.978 ( -0.000 0.102 -21.217) 21.218 5.408 ( 0.000 -0.424 -4.293) 4.314 5.843 ( 0.000 -16.165 7.213) 17.701 12.448 ( 0.000 -0.472 0.715) 0.856 12.567 ( -0.000 1.445 -0.554) 1.548 13.840 ( -0.000 0.239 -0.344) 0.419 13.962 ( -0.000 0.796 -1.208) 1.447 17.417 ( -0.000 2.234 3.811) 4.418 17.547 ( -0.000 0.790 0.147) 0.804 17.606 ( -0.000 0.982 -0.477) 1.092 17.663 ( 0.000 -2.266 0.744) 2.385 18.892 ( -0.000 0.970 -0.180) 0.986 19.078 ( -0.000 0.171 -2.517) 2.523 27.206 ( -0.000 0.020 -0.199) 0.200 27.223 ( 0.000 -0.453 -0.250) 0.517 31.424 ( -0.000 7.925 2.830) 8.415 31.683 ( -0.000 5.067 4.565) 6.820 31.882 ( -0.000 5.426 1.333) 5.588 31.961 ( -0.000 10.743 -2.952) 11.141 32.770 ( 0.000 -8.755 6.352) 10.816 34.063 ( 0.000 -4.972 -9.874) 11.055 ======================= Grid point 157 (61/144) ======================= q-point: ( 0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 6.917 -0.000 26.668) 27.550 1.557 ( 10.922 -0.000 -3.609) 11.503 2.125 ( -9.530 0.000 5.399) 10.953 2.275 ( -6.398 0.000 -4.452) 7.795 2.317 ( 0.068 -0.000 10.985) 10.985 2.632 ( -0.491 0.000 2.025) 2.083 2.639 ( 2.065 -0.000 -4.376) 4.839 2.677 ( 5.330 -0.000 3.720) 6.500 2.818 ( 21.234 -0.000 -1.389) 21.280 2.873 ( -8.010 0.000 5.471) 9.701 3.037 ( -2.289 0.000 4.071) 4.671 3.160 ( -6.081 0.000 -1.702) 6.315 3.746 ( -0.378 0.000 0.777) 0.864 4.306 ( 0.457 -0.000 2.005) 2.056 4.362 ( -5.384 0.000 -0.615) 5.419 4.365 ( -8.915 0.000 -9.663) 13.148 5.358 ( -3.461 0.000 1.755) 3.881 5.374 ( -0.734 0.000 -6.751) 6.790 12.457 ( -0.808 0.000 1.745) 1.923 12.601 ( 1.614 -0.000 -0.257) 1.634 13.894 ( 0.683 -0.000 0.479) 0.834 14.009 ( 1.319 -0.000 -0.762) 1.523 17.354 ( 1.415 -0.000 1.305) 1.925 17.568 ( 0.624 -0.000 -0.208) 0.658 17.703 ( -0.252 0.000 -1.373) 1.396 17.731 ( -0.869 0.000 -1.533) 1.762 18.873 ( 1.549 -0.000 -0.214) 1.564 18.954 ( 2.265 -0.000 -1.981) 3.009 27.196 ( -0.211 0.000 -0.069) 0.222 27.222 ( -0.295 0.000 -0.354) 0.461 31.704 ( 5.067 -0.000 3.701) 6.275 31.759 ( 8.939 -0.000 1.996) 9.159 32.217 ( 11.373 -0.000 2.747) 11.700 32.475 ( 4.354 -0.000 -2.697) 5.122 32.673 ( -7.027 0.000 4.348) 8.263 33.461 ( -5.147 0.000 -6.792) 8.522 ======================= Grid point 158 (62/144) ======================= q-point: ( 0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 6.314 -1.207 22.609) 23.505 1.689 ( 1.243 -4.929 -7.939) 9.426 2.037 ( -3.684 0.605 5.291) 6.476 2.163 ( -4.998 0.375 3.237) 5.966 2.325 ( -3.270 -2.123 4.784) 6.171 2.531 ( -6.606 1.933 4.944) 8.475 2.637 ( -14.168 -0.423 6.588) 15.631 2.642 ( -5.545 -2.667 -1.449) 6.322 2.792 ( 3.840 10.359 1.664) 11.172 2.938 ( -0.955 -2.484 -0.860) 2.797 3.125 ( 13.231 1.251 1.780) 13.409 3.184 ( -0.112 -9.246 -0.874) 9.288 3.802 ( 5.073 -2.868 0.767) 5.878 4.082 ( -1.333 9.318 -1.082) 9.475 4.361 ( -1.140 -0.291 -1.120) 1.624 4.473 ( -8.338 -15.461 -2.195) 17.702 5.335 ( -1.454 -0.754 -1.049) 1.945 5.367 ( -0.626 -0.251 -6.858) 6.891 12.447 ( -0.748 -0.043 1.673) 1.833 12.619 ( 1.417 0.242 -0.430) 1.501 13.898 ( 0.648 0.607 0.482) 1.010 14.024 ( 1.238 0.266 -0.879) 1.542 17.378 ( 1.353 -0.828 1.246) 2.017 17.576 ( 0.463 -0.007 -0.196) 0.503 17.694 ( -0.248 0.835 -1.298) 1.563 17.714 ( -0.754 0.931 -1.152) 1.662 18.896 ( 1.233 -0.521 -0.145) 1.346 18.980 ( 2.000 0.202 -1.647) 2.599 27.194 ( -0.211 -0.082 -0.103) 0.249 27.218 ( -0.252 0.076 -0.377) 0.460 31.783 ( 4.826 -2.127 3.577) 6.373 31.846 ( 7.447 2.407 1.814) 8.034 32.343 ( 9.546 3.359 -0.479) 10.131 32.466 ( 5.435 7.997 -0.168) 9.670 32.562 ( -5.415 3.074 4.206) 7.514 33.468 ( -6.118 -9.737 -6.465) 13.192 ======================= Grid point 159 (63/144) ======================= q-point: ( 0.45 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 4.358 -1.435 16.510) 17.136 1.734 ( -3.347 -6.003 -5.689) 8.922 1.941 ( -4.747 3.585 -1.368) 6.104 2.187 ( -8.586 -7.444 8.702) 14.313 2.268 ( -9.368 -0.169 -0.811) 9.404 2.435 ( -7.094 -2.006 5.596) 9.256 2.455 ( -8.890 3.729 10.125) 13.980 2.492 ( -9.944 -0.339 6.870) 12.091 2.826 ( 13.304 2.990 -0.842) 13.662 2.978 ( -1.526 -5.647 -1.172) 5.966 3.221 ( 7.357 4.061 1.118) 8.478 3.322 ( 0.492 -8.448 -1.249) 8.554 3.920 ( 5.592 -3.058 0.227) 6.378 4.028 ( 4.988 3.609 0.107) 6.158 4.339 ( -2.512 -0.157 -1.162) 2.772 4.552 ( -11.100 -13.536 -1.683) 17.586 5.334 ( -0.639 -0.941 -2.125) 2.410 5.367 ( -0.466 -0.692 -6.532) 6.585 12.439 ( -0.622 -0.125 1.551) 1.676 12.629 ( 1.106 0.559 -0.604) 1.379 13.895 ( 0.500 0.977 0.466) 1.192 14.031 ( 0.962 0.701 -1.021) 1.568 17.410 ( 1.133 -1.409 1.196) 2.168 17.580 ( 0.360 0.139 -0.160) 0.418 17.673 ( -0.337 1.492 -0.882) 1.766 17.689 ( -0.339 1.370 -0.889) 1.668 18.915 ( 0.665 -0.401 -0.102) 0.783 19.002 ( 1.866 0.091 -1.317) 2.286 27.193 ( -0.189 -0.129 -0.140) 0.268 27.214 ( -0.141 0.043 -0.440) 0.464 31.880 ( 4.757 0.970 2.419) 5.424 31.884 ( 4.661 -0.086 2.359) 5.225 32.331 ( 1.130 6.466 -2.790) 7.132 32.376 ( 6.250 13.400 -0.099) 14.786 32.538 ( 2.921 0.156 5.926) 6.608 33.543 ( -6.629 -11.720 -6.015) 14.747 ======================= Grid point 160 (64/144) ======================= q-point: (-0.45 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 4.958 -3.631 10.513) 12.177 1.774 ( -9.207 -7.793 -4.512) 12.879 1.868 ( 0.647 1.268 -0.379) 1.473 2.057 ( -13.495 1.188 3.797) 14.069 2.107 ( -13.043 -2.718 3.093) 13.677 2.317 ( -6.870 0.718 3.852) 7.909 2.360 ( -3.855 1.636 14.842) 15.422 2.577 ( 5.892 -6.331 8.618) 12.209 2.963 ( 8.732 -0.774 -0.975) 8.820 3.049 ( 0.179 -4.953 -2.400) 5.507 3.213 ( 1.518 4.679 2.076) 5.339 3.420 ( 0.207 -3.738 -1.489) 4.029 4.019 ( 5.423 -0.949 0.267) 5.512 4.059 ( 5.812 2.054 -0.119) 6.165 4.313 ( -3.344 -1.808 -1.873) 4.238 4.582 ( -12.856 -13.247 -2.208) 18.591 5.345 ( -0.310 -1.479 -1.592) 2.194 5.374 ( -0.305 -1.017 -6.026) 6.119 12.435 ( -0.451 -0.208 1.414) 1.499 12.631 ( 0.724 0.883 -0.731) 1.355 13.884 ( 0.260 1.174 0.398) 1.267 14.028 ( 0.577 1.151 -1.167) 1.737 17.445 ( 0.846 -1.556 1.203) 2.141 17.582 ( 0.318 0.197 -0.012) 0.375 17.644 ( -0.393 1.958 -0.401) 2.037 17.669 ( 0.063 1.277 -0.716) 1.465 18.924 ( 0.288 0.056 0.004) 0.294 19.026 ( 1.618 -0.369 -1.155) 2.022 27.193 ( -0.118 -0.206 -0.143) 0.277 27.213 ( -0.038 -0.018 -0.511) 0.513 31.857 ( 3.377 6.864 2.516) 8.053 31.966 ( 1.604 -2.096 1.325) 2.953 32.215 ( -0.978 7.460 -2.444) 7.911 32.332 ( 9.298 7.989 0.881) 12.290 32.550 ( 2.239 3.658 4.989) 6.579 33.626 ( -5.777 -11.573 -5.968) 14.245 ======================= Grid point 161 (65/144) ======================= q-point: (-0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 5.568 -5.749 8.308) 11.536 1.703 ( -10.161 -1.820 -2.806) 10.697 1.842 ( -4.336 -0.141 -2.798) 5.163 1.970 ( 1.759 2.426 6.281) 6.959 2.039 ( -6.896 -6.359 4.841) 10.556 2.257 ( -0.853 -0.209 9.132) 9.174 2.312 ( -5.109 -3.246 8.094) 10.107 2.720 ( 6.063 -2.143 8.740) 10.851 3.032 ( -0.758 1.487 -0.803) 1.852 3.084 ( 4.615 5.108 -1.440) 7.033 3.168 ( -2.974 -3.037 0.144) 4.253 3.393 ( -2.020 6.041 0.874) 6.430 4.100 ( 6.691 0.284 0.866) 6.752 4.134 ( 6.404 -1.154 -1.849) 6.765 4.294 ( -5.115 -2.506 -2.291) 6.140 4.632 ( -9.819 -15.844 -5.869) 19.542 5.372 ( -0.070 -2.640 -0.127) 2.644 5.388 ( -0.333 -1.784 -4.445) 4.801 12.434 ( -0.242 -0.279 1.260) 1.312 12.623 ( 0.324 1.167 -0.782) 1.441 13.869 ( 0.081 1.145 0.262) 1.178 14.014 ( 0.221 1.432 -1.298) 1.945 17.472 ( 0.506 -0.823 1.476) 1.764 17.581 ( 0.023 0.366 0.172) 0.405 17.615 ( -0.109 1.350 -0.021) 1.355 17.653 ( 0.080 1.200 -0.605) 1.346 18.923 ( 0.160 0.400 0.109) 0.445 19.051 ( 0.979 -0.673 -1.175) 1.671 27.196 ( -0.023 -0.347 -0.141) 0.375 27.213 ( 0.007 -0.035 -0.521) 0.522 31.781 ( 1.709 8.343 3.091) 9.059 31.956 ( -0.695 4.087 0.975) 4.259 32.124 ( 0.898 5.858 -3.819) 7.050 32.367 ( 8.509 5.214 0.228) 9.982 32.497 ( -2.070 2.442 6.982) 7.681 33.727 ( -3.196 -10.991 -6.457) 13.142 ======================= Grid point 162 (66/144) ======================= q-point: (-0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.000 6.871 0.144) 6.873 1.714 ( -0.000 3.311 11.483) 11.950 1.835 ( 0.000 -2.415 -5.146) 5.684 1.967 ( 0.000 -3.393 5.146) 6.165 2.108 ( 0.000 -8.420 4.378) 9.490 2.263 ( 0.000 -0.038 15.909) 15.909 2.359 ( 0.000 -7.916 -0.903) 7.967 2.753 ( -0.000 6.129 9.436) 11.252 2.902 ( -0.000 9.615 1.102) 9.678 3.082 ( -0.000 0.810 -0.908) 1.217 3.152 ( -0.000 6.345 -2.456) 6.804 3.296 ( -0.000 0.504 2.477) 2.528 4.143 ( -0.000 0.447 0.576) 0.729 4.225 ( -0.000 0.951 -0.392) 1.029 4.263 ( 0.000 -4.117 -3.173) 5.198 4.793 ( 0.000 -14.354 -13.455) 19.674 5.392 ( 0.000 -0.763 -4.438) 4.503 5.455 ( 0.000 -8.309 5.033) 9.714 12.437 ( 0.000 -0.342 1.082) 1.135 12.607 ( -0.000 1.357 -0.749) 1.550 13.855 ( -0.000 0.888 0.076) 0.891 13.995 ( -0.000 1.434 -1.367) 1.981 17.474 ( -0.000 1.057 2.124) 2.373 17.572 ( -0.000 0.807 0.106) 0.814 17.610 ( 0.000 -0.761 0.403) 0.861 17.636 ( -0.000 1.180 -0.581) 1.315 18.917 ( -0.000 0.661 0.093) 0.667 19.068 ( 0.000 -0.687 -1.350) 1.515 27.201 ( 0.000 -0.393 -0.170) 0.429 27.214 ( 0.000 -0.088 -0.449) 0.458 31.669 ( -0.000 8.946 3.187) 9.496 31.867 ( -0.000 6.818 1.758) 7.041 32.048 ( -0.000 5.987 -2.786) 6.603 32.290 ( -0.000 11.948 -3.507) 12.452 32.528 ( 0.000 -7.271 9.691) 12.115 33.854 ( 0.000 -9.565 -7.363) 12.071 ======================= Grid point 169 (67/144) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 6.752 -0.000 21.444) 22.482 1.629 ( -5.257 0.000 -8.166) 9.712 1.992 ( -3.480 0.000 7.140) 7.943 2.079 ( -8.681 0.000 -4.142) 9.619 2.262 ( -4.588 0.000 2.693) 5.320 2.377 ( -15.604 0.000 4.031) 16.116 2.458 ( -16.532 0.000 -0.660) 16.545 2.524 ( -3.155 0.000 15.548) 15.865 2.878 ( -2.955 0.000 2.192) 3.680 3.001 ( 7.689 -0.000 1.980) 7.940 3.081 ( 0.533 -0.000 -3.864) 3.900 3.305 ( 10.138 -0.000 -0.758) 10.166 3.866 ( 7.531 -0.000 1.725) 7.726 4.131 ( -1.889 0.000 -1.581) 2.463 4.284 ( -2.171 0.000 1.773) 2.803 4.347 ( -1.407 0.000 -1.571) 2.109 5.320 ( -0.358 0.000 -3.178) 3.199 5.358 ( -0.538 0.000 -7.322) 7.341 12.438 ( -0.645 0.000 1.702) 1.820 12.637 ( 1.201 -0.000 -0.608) 1.346 13.910 ( 0.521 -0.000 0.472) 0.703 14.041 ( 1.148 -0.000 -0.954) 1.493 17.388 ( 1.171 -0.000 1.341) 1.781 17.582 ( 0.401 -0.000 0.008) 0.401 17.697 ( -0.210 0.000 -1.541) 1.555 17.710 ( -0.718 0.000 -1.087) 1.303 18.907 ( 1.027 -0.000 0.074) 1.029 19.004 ( 1.575 -0.000 -1.458) 2.146 27.190 ( -0.184 0.000 -0.079) 0.200 27.215 ( -0.226 0.000 -0.366) 0.430 31.825 ( 4.089 -0.000 4.089) 5.783 31.946 ( 5.584 -0.000 1.844) 5.881 32.454 ( -5.592 0.000 2.111) 5.977 32.516 ( 11.432 -0.000 -0.054) 11.432 32.637 ( 3.770 -0.000 0.127) 3.772 33.311 ( -6.372 0.000 -6.147) 8.854 ======================= Grid point 170 (68/144) ======================= q-point: ( 0.45 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 4.276 1.292 15.212) 15.854 1.581 ( -6.659 -4.930 -4.115) 9.251 1.890 ( -10.223 -0.309 1.675) 10.363 1.973 ( -11.252 -2.091 0.350) 11.450 2.158 ( -10.184 3.662 0.403) 10.829 2.253 ( -9.041 -2.716 2.180) 9.689 2.323 ( -4.987 -7.526 5.576) 10.611 2.485 ( -0.262 2.915 16.853) 17.105 2.880 ( -1.628 -4.425 2.661) 5.414 3.022 ( 7.568 3.843 -0.583) 8.508 3.195 ( 0.192 -8.733 -2.864) 9.192 3.369 ( 4.893 3.908 -1.190) 6.374 3.971 ( 6.901 -1.124 1.735) 7.204 4.124 ( 3.903 1.995 -0.158) 4.386 4.297 ( -5.296 -5.555 1.340) 7.791 4.321 ( -2.490 0.126 -1.344) 2.832 5.321 ( -0.103 -0.402 -3.891) 3.913 5.355 ( -0.349 -0.366 -7.372) 7.389 12.431 ( -0.465 -0.068 1.656) 1.721 12.648 ( 0.849 0.329 -0.762) 1.187 13.912 ( 0.367 0.606 0.467) 0.848 14.051 ( 0.831 0.437 -1.056) 1.413 17.407 ( 0.848 -0.789 1.394) 1.813 17.586 ( 0.286 0.046 0.100) 0.306 17.688 ( -0.187 0.922 -1.431) 1.713 17.698 ( -0.436 0.595 -0.946) 1.200 18.920 ( 0.591 -0.180 0.177) 0.643 19.022 ( 1.160 -0.033 -1.255) 1.709 27.189 ( -0.139 -0.073 -0.092) 0.182 27.213 ( -0.138 -0.005 -0.390) 0.414 31.886 ( 2.933 -2.019 3.937) 5.309 31.990 ( 3.845 2.377 2.363) 5.100 32.365 ( -4.291 2.803 1.081) 5.238 32.607 ( 4.102 8.495 1.115) 9.500 32.646 ( 9.112 2.475 -1.748) 9.602 33.303 ( -6.437 -9.352 -5.230) 12.500 ======================= Grid point 171 (69/144) ======================= q-point: (-0.45 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -1.173 -4.113 0.824) 4.356 1.572 ( -2.929 -3.015 7.364) 8.479 1.811 ( -6.878 -3.198 1.049) 7.658 1.877 ( -8.345 -3.574 -0.616) 9.099 2.028 ( -0.313 1.594 3.728) 4.067 2.171 ( -8.554 -2.220 2.634) 9.222 2.399 ( -0.749 1.795 16.738) 16.851 2.492 ( 1.876 -8.683 6.743) 11.153 2.950 ( -0.482 -6.908 1.924) 7.187 3.078 ( 5.504 1.906 0.356) 5.835 3.320 ( 0.069 -7.702 -3.780) 8.580 3.340 ( 1.753 4.768 -1.665) 5.345 4.070 ( 5.832 -1.374 0.707) 6.034 4.145 ( 3.091 1.956 0.069) 3.659 4.278 ( -2.023 0.413 -0.449) 2.113 4.299 ( -7.810 -6.273 0.753) 10.046 5.327 ( -0.129 -0.705 -3.526) 3.598 5.360 ( -0.089 -0.763 -7.121) 7.162 12.428 ( -0.243 -0.141 1.563) 1.588 12.650 ( 0.424 0.672 -0.853) 1.166 13.903 ( 0.164 1.066 0.434) 1.163 14.050 ( 0.394 0.932 -1.165) 1.543 17.431 ( 0.447 -1.396 1.431) 2.048 17.588 ( 0.191 0.098 0.153) 0.264 17.667 ( -0.156 1.711 -1.083) 2.031 17.684 ( -0.096 0.876 -0.832) 1.212 18.927 ( 0.214 -0.077 0.229) 0.323 19.036 ( 0.715 -0.335 -1.125) 1.374 27.189 ( -0.077 -0.140 -0.104) 0.190 27.212 ( -0.043 -0.054 -0.445) 0.450 31.949 ( 1.294 -2.744 2.758) 4.101 31.975 ( 1.888 4.959 3.183) 6.188 32.273 ( -2.026 4.174 -0.381) 4.655 32.524 ( 2.972 8.399 3.535) 9.585 32.684 ( 5.293 6.185 -3.119) 8.718 33.388 ( -4.323 -12.257 -4.790) 13.851 ======================= Grid point 172 (70/144) ======================= q-point: (-0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.000 -6.789 -4.334) 8.054 1.616 ( 0.000 -3.619 11.157) 11.730 1.792 ( 0.000 -1.306 -2.604) 2.913 1.889 ( 0.000 -6.398 2.898) 7.024 2.043 ( -0.000 2.920 5.960) 6.637 2.147 ( 0.000 -6.441 1.201) 6.552 2.333 ( -0.000 4.855 17.836) 18.485 2.656 ( 0.000 -10.135 7.087) 12.368 3.049 ( 0.000 -7.095 0.235) 7.098 3.080 ( -0.000 2.807 0.599) 2.870 3.240 ( -0.000 8.748 -0.785) 8.783 3.419 ( 0.000 -2.391 -3.104) 3.918 4.141 ( 0.000 -2.586 -2.349) 3.494 4.158 ( -0.000 0.532 0.702) 0.881 4.254 ( -0.000 1.016 -0.461) 1.116 4.347 ( 0.000 -12.008 -0.274) 12.011 5.340 ( 0.000 -1.479 -2.068) 2.543 5.372 ( 0.000 -0.886 -6.554) 6.614 12.429 ( 0.000 -0.211 1.430) 1.446 12.640 ( -0.000 0.972 -0.861) 1.298 13.887 ( -0.000 1.254 0.361) 1.305 14.036 ( -0.000 1.309 -1.258) 1.816 17.456 ( 0.000 -1.599 1.494) 2.188 17.587 ( -0.000 0.268 0.152) 0.308 17.638 ( -0.000 1.998 -0.574) 2.078 17.670 ( -0.000 1.089 -0.745) 1.319 18.928 ( -0.000 0.125 0.226) 0.258 19.048 ( 0.000 -0.605 -1.099) 1.255 27.191 ( 0.000 -0.252 -0.114) 0.277 27.213 ( 0.000 -0.063 -0.496) 0.500 31.902 ( -0.000 7.021 3.478) 7.835 31.981 ( 0.000 -0.183 1.108) 1.123 32.200 ( -0.000 4.635 -2.486) 5.260 32.457 ( -0.000 3.694 8.396) 9.172 32.603 ( -0.000 9.539 -4.101) 10.383 33.537 ( 0.000 -12.453 -5.397) 13.572 ======================= Grid point 181 (71/144) ======================= q-point: ( 0.45 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -8.054 0.000 -6.883) 10.594 1.555 ( 4.640 -0.000 19.615) 20.157 1.741 ( -7.887 0.000 7.355) 10.784 1.832 ( -8.937 0.000 -7.171) 11.458 2.066 ( -8.909 0.000 3.045) 9.415 2.144 ( -3.461 0.000 0.916) 3.580 2.244 ( 0.760 -0.000 2.847) 2.947 2.510 ( 0.439 -0.000 17.621) 17.626 2.827 ( -1.057 0.000 4.437) 4.561 3.116 ( 1.084 -0.000 -5.855) 5.955 3.131 ( 2.492 -0.000 1.526) 2.922 3.438 ( 1.795 -0.000 -1.620) 2.418 4.048 ( 5.724 -0.000 2.796) 6.371 4.188 ( 3.623 -0.000 -0.449) 3.650 4.205 ( -3.632 0.000 1.487) 3.924 4.299 ( -2.157 0.000 -0.886) 2.332 5.318 ( 0.045 -0.000 -4.703) 4.703 5.348 ( -0.228 0.000 -7.600) 7.603 12.426 ( -0.246 0.000 1.686) 1.704 12.659 ( 0.453 -0.000 -0.870) 0.981 13.920 ( 0.198 -0.000 0.470) 0.510 14.063 ( 0.469 -0.000 -1.093) 1.190 17.410 ( 0.449 -0.000 1.481) 1.547 17.589 ( 0.138 -0.000 0.220) 0.260 17.693 ( -0.089 0.000 -1.613) 1.616 17.697 ( -0.274 0.000 -0.918) 0.958 18.924 ( 0.307 -0.000 0.304) 0.432 19.032 ( 0.548 -0.000 -1.178) 1.299 27.187 ( -0.069 0.000 -0.079) 0.105 27.211 ( -0.081 0.000 -0.372) 0.381 31.900 ( 1.574 -0.000 4.494) 4.761 32.047 ( 2.206 -0.000 3.167) 3.860 32.335 ( -2.888 0.000 0.620) 2.953 32.718 ( 1.862 -0.000 0.646) 1.971 32.771 ( 7.274 -0.000 -3.480) 8.064 33.149 ( -5.339 0.000 -4.145) 6.759 ======================= Grid point 182 (72/144) ======================= q-point: (-0.45 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 -3.516 -5.987) 6.943 1.583 ( -0.000 0.556 18.598) 18.607 1.711 ( 0.000 -2.527 6.659) 7.122 1.780 ( 0.000 -1.837 -7.704) 7.920 2.023 ( 0.000 -2.152 2.746) 3.489 2.109 ( -0.000 1.685 2.215) 2.783 2.313 ( 0.000 -8.117 4.504) 9.283 2.491 ( -0.000 2.739 16.443) 16.669 2.858 ( 0.000 -5.029 4.073) 6.471 3.138 ( -0.000 1.179 1.385) 1.819 3.182 ( 0.000 -7.893 -5.947) 9.883 3.424 ( -0.000 3.528 -1.533) 3.846 4.106 ( 0.000 -1.456 2.586) 2.968 4.170 ( -0.000 0.253 0.822) 0.860 4.212 ( -0.000 0.429 -0.004) 0.429 4.276 ( -0.000 0.454 -0.538) 0.704 5.320 ( 0.000 -0.227 -4.560) 4.566 5.350 ( 0.000 -0.507 -7.535) 7.552 12.425 ( 0.000 -0.071 1.654) 1.655 12.660 ( -0.000 0.355 -0.903) 0.970 13.917 ( -0.000 0.633 0.461) 0.783 14.063 ( -0.000 0.505 -1.133) 1.241 17.419 ( 0.000 -0.784 1.493) 1.686 17.590 ( -0.000 0.001 0.238) 0.238 17.685 ( -0.000 0.981 -1.488) 1.782 17.692 ( -0.000 0.427 -0.880) 0.979 18.927 ( 0.000 -0.079 0.320) 0.329 19.037 ( 0.000 -0.188 -1.130) 1.145 27.187 ( 0.000 -0.061 -0.085) 0.105 27.211 ( 0.000 -0.041 -0.393) 0.396 31.924 ( 0.000 -1.861 4.093) 4.496 32.043 ( -0.000 2.656 3.645) 4.510 32.301 ( -0.000 2.031 -0.006) 2.031 32.662 ( -0.000 8.002 1.595) 8.159 32.797 ( -0.000 3.693 -4.525) 5.841 33.193 ( 0.000 -10.120 -3.614) 10.746 ======================= Grid point 242 (73/144) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 0.000 0.000 10.572) 10.572 0.895 ( 0.000 0.000 20.901) 20.901 0.945 ( 0.000 0.000 -5.003) 5.003 1.519 ( 0.000 0.000 19.041) 19.041 2.297 ( 0.000 0.000 6.977) 6.977 2.643 ( 0.000 0.000 1.225) 1.225 2.724 ( 0.000 0.000 -1.078) 1.078 2.758 ( 0.000 0.000 17.372) 17.372 2.836 ( 0.000 0.000 4.241) 4.241 3.004 ( 0.000 0.000 5.161) 5.161 3.131 ( 0.000 0.000 -3.905) 3.905 3.378 ( 0.000 0.000 -2.049) 2.049 4.149 ( 0.000 0.000 0.432) 0.432 4.167 ( 0.000 0.000 -0.156) 0.156 4.255 ( 0.000 0.000 3.836) 3.836 4.283 ( 0.000 0.000 0.505) 0.505 5.301 ( 0.000 0.000 -4.645) 4.645 6.078 ( 0.000 0.000 -19.010) 19.010 12.482 ( 0.000 0.000 0.331) 0.331 12.503 ( 0.000 0.000 -0.257) 0.257 13.871 ( 0.000 0.000 0.889) 0.889 13.933 ( 0.000 0.000 -0.855) 0.855 17.536 ( 0.000 0.000 0.204) 0.204 17.554 ( 0.000 0.000 2.081) 2.081 17.559 ( 0.000 0.000 -0.443) 0.443 17.690 ( 0.000 0.000 -1.751) 1.751 18.816 ( 0.000 0.000 0.627) 0.627 18.855 ( 0.000 0.000 -0.459) 0.459 27.204 ( 0.000 0.000 0.094) 0.094 27.227 ( 0.000 0.000 -0.523) 0.523 31.246 ( 0.000 0.000 4.261) 4.261 31.551 ( 0.000 0.000 -4.276) 4.276 31.745 ( 0.000 0.000 4.564) 4.564 32.124 ( 0.000 0.000 -6.588) 6.588 33.221 ( 0.000 0.000 7.988) 7.988 33.688 ( 0.000 0.000 -5.637) 5.637 ======================= Grid point 243 (74/144) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 22.698 -6.955 8.086) 25.079 1.050 ( 7.172 -15.307 14.646) 22.366 1.142 ( 16.701 -8.744 -3.610) 19.194 1.564 ( -0.047 -7.653 16.421) 18.117 2.320 ( -1.303 -5.430 7.661) 9.480 2.621 ( -0.700 2.494 1.334) 2.914 2.691 ( -3.283 1.670 -0.757) 3.760 2.768 ( -1.173 -1.420 14.953) 15.066 2.844 ( 2.193 1.010 4.111) 4.768 2.973 ( 0.731 3.555 8.021) 8.804 3.150 ( 3.342 0.964 -4.564) 5.739 3.360 ( -1.233 1.047 0.178) 1.627 4.119 ( -3.933 0.905 0.528) 4.070 4.146 ( -2.642 0.655 -1.080) 2.929 4.253 ( 2.535 -0.346 -0.062) 2.559 4.423 ( 5.223 -9.099 -3.168) 10.959 5.304 ( -0.212 -0.643 -4.209) 4.263 6.048 ( -5.217 -0.523 -16.320) 17.141 12.484 ( 0.777 0.446 0.468) 1.011 12.512 ( 0.690 -0.640 -0.335) 0.999 13.863 ( 0.259 1.103 0.969) 1.491 13.934 ( 0.283 0.098 -1.011) 1.054 17.477 ( -4.681 0.759 3.655) 5.988 17.540 ( -0.005 -0.479 0.024) 0.480 17.605 ( 3.675 1.469 -0.565) 3.998 17.704 ( 0.076 -1.256 -1.854) 2.240 18.837 ( -0.117 -1.713 -0.590) 1.816 18.862 ( -1.501 -3.028 -0.816) 3.477 27.204 ( -0.066 -0.037 0.081) 0.111 27.226 ( -0.073 0.059 -0.508) 0.516 31.286 ( 3.523 -2.126 4.321) 5.967 31.569 ( -0.303 -2.633 -2.510) 3.650 31.785 ( 5.076 -0.800 3.237) 6.074 32.057 ( 1.317 9.061 -1.808) 9.333 33.175 ( -2.552 3.501 8.377) 9.431 33.710 ( -3.922 -6.381 -8.963) 11.681 ======================= Grid point 244 (75/144) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 15.130 -8.512 8.691) 19.414 1.415 ( 12.906 -12.907 7.151) 19.604 1.495 ( 16.497 -7.833 -0.996) 18.289 1.750 ( 3.663 -13.835 7.565) 16.188 2.416 ( -0.848 -5.255 4.465) 6.947 2.559 ( -0.376 1.591 2.185) 2.729 2.621 ( -1.887 0.894 2.395) 3.178 2.762 ( 0.100 0.678 10.494) 10.516 2.865 ( 2.545 0.125 4.874) 5.500 2.968 ( 3.138 0.159 13.266) 13.633 3.166 ( 2.665 2.663 -4.286) 5.706 3.333 ( -1.891 -0.588 1.523) 2.498 4.029 ( -6.419 1.964 0.506) 6.732 4.077 ( -4.744 2.285 -0.337) 5.276 4.317 ( 2.971 -2.930 -2.738) 4.991 4.608 ( 5.088 -6.937 -9.947) 13.151 5.313 ( -0.361 -1.201 -3.168) 3.407 5.962 ( -7.900 0.619 -11.154) 13.682 12.487 ( 0.782 0.575 0.890) 1.316 12.533 ( 0.883 -0.658 -0.416) 1.178 13.853 ( 0.523 0.972 0.975) 1.473 13.937 ( 0.546 0.238 -1.282) 1.414 17.429 ( -2.655 -0.641 4.045) 4.880 17.547 ( -0.172 -0.550 -0.559) 0.803 17.621 ( 2.076 1.176 -0.266) 2.400 17.715 ( 0.106 0.012 -1.294) 1.299 18.848 ( -0.493 -0.998 -0.485) 1.214 18.899 ( -1.724 -4.198 -2.437) 5.151 27.202 ( -0.171 0.071 0.031) 0.188 27.222 ( -0.190 0.206 -0.489) 0.564 31.375 ( 4.423 -2.428 4.229) 6.583 31.614 ( 0.366 -3.628 -0.486) 3.679 31.875 ( 6.647 1.168 0.747) 6.790 31.956 ( 1.978 5.518 3.177) 6.667 33.074 ( -3.976 4.332 9.190) 10.911 33.756 ( -3.529 -6.528 -12.657) 14.672 ======================= Grid point 245 (76/144) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 11.180 -8.738 7.212) 15.917 1.712 ( 8.590 -7.505 -1.058) 11.456 1.739 ( 10.727 -4.391 8.078) 14.128 1.937 ( 0.036 -6.326 -2.455) 6.786 2.324 ( -4.837 4.842 3.977) 7.915 2.600 ( 2.423 1.606 -2.372) 3.751 2.727 ( 7.201 -9.322 11.062) 16.160 2.764 ( 1.297 0.400 12.395) 12.469 2.907 ( 2.308 -1.563 3.611) 4.562 3.060 ( 6.100 -4.049 9.730) 12.177 3.154 ( 0.791 0.654 -1.643) 1.937 3.340 ( -0.196 -2.801 1.839) 3.356 3.910 ( -7.154 2.053 0.682) 7.474 3.967 ( -6.117 2.928 0.447) 6.796 4.394 ( 2.350 -2.671 -3.607) 5.066 4.747 ( 4.190 -4.423 -13.145) 14.488 5.330 ( -0.201 -1.710 -2.060) 2.684 5.837 ( -8.075 2.242 -6.833) 10.814 12.488 ( 0.577 0.491 1.271) 1.480 12.551 ( 0.688 -0.477 -0.487) 0.968 13.850 ( 0.673 0.466 0.962) 1.263 13.942 ( 0.694 0.154 -1.498) 1.658 17.420 ( -1.207 -1.279 2.858) 3.356 17.550 ( -0.407 -0.424 -1.174) 1.313 17.627 ( 1.191 0.847 0.280) 1.488 17.707 ( -0.193 0.993 -0.416) 1.094 18.859 ( -0.099 -1.128 -0.477) 1.229 18.925 ( -1.856 -2.681 -2.688) 4.226 27.198 ( -0.189 0.129 -0.133) 0.265 27.215 ( -0.285 0.360 -0.507) 0.684 31.453 ( 3.211 -1.500 3.691) 5.117 31.673 ( 0.895 -2.813 -1.211) 3.191 31.853 ( 2.320 4.797 3.200) 6.215 32.013 ( 4.780 -1.774 0.213) 5.103 32.966 ( -3.609 3.509 11.523) 12.574 33.798 ( -2.193 -4.420 -13.699) 14.561 ======================= Grid point 246 (77/144) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 5.265 -4.472 5.540) 8.856 1.735 ( -0.503 5.582 -2.310) 6.062 1.979 ( 3.090 -9.241 5.992) 11.439 2.018 ( 5.675 -5.699 -1.173) 8.128 2.246 ( 1.263 2.540 6.311) 6.919 2.586 ( 2.187 3.914 -0.968) 4.587 2.766 ( -0.413 -0.174 15.262) 15.269 2.886 ( 2.721 0.027 3.359) 4.323 3.000 ( 4.275 -5.747 6.026) 9.360 3.089 ( 0.813 3.525 -2.430) 4.358 3.271 ( 2.750 -10.027 5.480) 11.754 3.423 ( 3.649 -5.241 5.085) 8.163 3.803 ( -5.168 1.424 0.882) 5.433 3.850 ( -5.143 2.896 1.311) 6.046 4.445 ( 1.098 -1.247 -3.355) 3.743 4.846 ( 3.279 -2.881 -15.010) 15.631 5.362 ( 0.810 -2.498 -1.198) 2.887 5.698 ( -6.921 3.541 -4.129) 8.803 12.488 ( 0.335 0.315 1.484) 1.554 12.564 ( 0.408 -0.276 -0.590) 0.769 13.855 ( 0.599 0.093 0.974) 1.147 13.950 ( 0.594 0.022 -1.602) 1.709 17.427 ( -0.467 -1.002 1.466) 1.837 17.551 ( -0.374 -0.414 -1.643) 1.735 17.629 ( 0.705 0.484 0.817) 1.183 17.684 ( -0.565 1.395 0.426) 1.564 18.876 ( 0.490 -0.936 -0.674) 1.253 18.929 ( -1.813 -1.214 -2.255) 3.138 27.195 ( -0.120 0.080 -0.340) 0.369 27.206 ( -0.272 0.381 -0.576) 0.743 31.504 ( 2.165 -0.953 2.790) 3.657 31.688 ( -0.475 1.155 -2.533) 2.824 31.863 ( 2.626 -1.857 3.519) 4.768 32.064 ( 1.780 1.015 -2.253) 3.045 32.894 ( -1.807 1.616 14.795) 14.993 33.823 ( -1.253 -2.255 -13.378) 13.625 ======================= Grid point 247 (78/144) ======================= q-point: ( 0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -1.294 2.524 0.687) 2.919 1.703 ( 0.708 -0.487 3.043) 3.162 2.079 ( 0.376 -4.039 -0.799) 4.134 2.146 ( 1.771 -1.072 2.194) 3.017 2.288 ( 4.334 -1.401 9.493) 10.529 2.567 ( 1.509 1.824 1.025) 2.579 2.765 ( -0.434 -0.648 16.109) 16.128 2.874 ( -0.380 1.736 2.852) 3.361 3.040 ( -0.001 2.167 -2.432) 3.257 3.084 ( 0.306 -1.450 -1.736) 2.283 3.438 ( 1.747 -7.043 4.440) 8.507 3.518 ( 1.677 -1.837 9.034) 9.370 3.746 ( -1.218 0.733 1.230) 1.880 3.766 ( -2.149 1.940 2.390) 3.754 4.461 ( 0.160 -0.189 -3.037) 3.047 4.906 ( 1.347 -1.109 -16.192) 16.285 5.424 ( 2.351 -3.069 -0.410) 3.888 5.568 ( -4.597 3.563 -3.152) 6.616 12.488 ( 0.108 0.108 1.567) 1.574 12.570 ( 0.132 -0.089 -0.666) 0.685 13.861 ( 0.244 -0.013 0.985) 1.014 13.955 ( 0.235 -0.013 -1.629) 1.646 17.433 ( -0.125 -0.337 0.596) 0.696 17.552 ( -0.129 -0.240 -2.120) 2.137 17.635 ( 0.567 -0.255 1.315) 1.455 17.657 ( -0.649 1.100 1.011) 1.629 18.897 ( 1.044 -0.498 -1.093) 1.591 18.916 ( -1.515 -0.178 -1.617) 2.223 27.193 ( -0.018 -0.016 -0.419) 0.420 27.199 ( -0.132 0.204 -0.699) 0.740 31.537 ( 1.066 -0.538 1.900) 2.243 31.657 ( -0.742 1.110 -1.628) 2.106 31.944 ( 2.522 -3.906 0.859) 4.728 32.033 ( -1.184 3.358 -2.406) 4.297 32.869 ( -0.359 0.291 16.691) 16.697 33.832 ( -0.434 -0.649 -12.918) 12.942 ======================= Grid point 254 (79/144) ======================= q-point: ( 0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 8.153 -0.000 14.659) 16.774 1.135 ( 34.515 -0.000 4.484) 34.805 1.386 ( 27.414 -0.000 -2.445) 27.522 1.517 ( 2.689 -0.000 13.895) 14.153 2.263 ( -0.397 0.000 9.408) 9.416 2.623 ( -1.759 0.000 1.188) 2.123 2.641 ( -5.995 0.000 0.411) 6.009 2.733 ( -2.105 0.000 13.983) 14.141 2.893 ( 3.567 -0.000 3.671) 5.118 3.001 ( -0.137 0.000 8.165) 8.166 3.188 ( 1.484 -0.000 -4.073) 4.335 3.351 ( -2.073 0.000 -1.433) 2.520 4.072 ( -4.982 0.000 0.324) 4.993 4.148 ( 0.708 -0.000 -6.130) 6.171 4.292 ( 1.862 -0.000 3.772) 4.206 4.402 ( 4.885 -0.000 -2.730) 5.597 5.292 ( -0.829 0.000 -4.836) 4.906 5.938 ( -10.250 0.000 -12.513) 16.175 12.502 ( 0.951 -0.000 0.543) 1.095 12.519 ( 1.188 -0.000 -0.150) 1.197 13.877 ( 0.420 -0.000 0.891) 0.985 13.940 ( 0.554 -0.000 -0.900) 1.057 17.425 ( -3.743 0.000 4.058) 5.520 17.537 ( 0.073 -0.000 -0.155) 0.171 17.663 ( 2.519 -0.000 -2.394) 3.475 17.687 ( -0.220 0.000 -1.712) 1.726 18.815 ( 0.049 -0.000 0.167) 0.174 18.833 ( -0.643 0.000 -0.655) 0.918 27.203 ( -0.069 0.000 0.077) 0.103 27.225 ( -0.122 0.000 -0.521) 0.535 31.343 ( 7.095 -0.000 4.286) 8.289 31.562 ( 1.715 -0.000 -0.098) 1.718 31.857 ( 6.998 -0.000 3.302) 7.738 32.162 ( 2.902 -0.000 -6.088) 6.744 33.153 ( -5.001 0.000 7.468) 8.987 33.579 ( -6.420 0.000 -5.257) 8.298 ======================= Grid point 255 (80/144) ======================= q-point: ( 0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 11.409 -5.446 9.419) 15.765 1.494 ( 11.384 -3.948 9.628) 15.424 1.705 ( 25.031 -2.969 0.413) 25.209 1.752 ( 21.766 -1.652 2.598) 21.983 2.331 ( 1.708 -6.753 5.553) 8.908 2.548 ( -5.045 0.314 2.262) 5.538 2.586 ( -2.522 0.143 1.770) 3.085 2.722 ( -2.422 -2.634 11.451) 11.996 2.912 ( 1.041 1.602 3.504) 3.991 3.010 ( 3.071 0.071 11.313) 11.722 3.198 ( -0.714 -0.564 -3.594) 3.708 3.308 ( -2.470 1.061 0.641) 2.763 3.981 ( -6.486 2.174 0.333) 6.849 4.108 ( -0.423 6.672 -3.687) 7.635 4.308 ( 1.607 -1.543 -0.140) 2.232 4.544 ( 2.779 -9.522 -6.834) 12.045 5.285 ( -1.443 -1.038 -4.905) 5.217 5.806 ( -12.678 -2.460 -8.212) 15.304 12.506 ( 0.526 0.588 1.093) 1.348 12.539 ( 1.284 -0.353 -0.150) 1.340 13.876 ( 0.661 0.939 0.974) 1.506 13.948 ( 0.764 0.114 -1.063) 1.314 17.393 ( -1.619 -0.502 3.786) 4.148 17.541 ( 0.101 -0.263 -0.687) 0.742 17.662 ( 0.999 1.564 -1.426) 2.340 17.705 ( -0.086 -1.087 -2.110) 2.375 18.832 ( -0.110 -1.131 -0.451) 1.222 18.842 ( 0.645 -1.826 -1.488) 2.442 27.201 ( -0.132 0.066 0.038) 0.153 27.222 ( -0.206 0.125 -0.517) 0.570 31.445 ( 8.180 0.330 4.082) 9.148 31.605 ( 3.264 -1.468 1.200) 3.775 31.962 ( 7.782 -1.084 3.325) 8.532 32.125 ( 4.028 10.219 -2.699) 11.311 33.056 ( -6.405 2.577 7.711) 10.350 33.574 ( -5.695 -9.058 -8.931) 13.937 ======================= Grid point 256 (81/144) ======================= q-point: ( 0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 10.758 -7.652 7.326) 15.099 1.675 ( 4.235 -8.387 7.742) 12.174 1.950 ( 16.454 4.784 1.746) 17.224 1.990 ( 13.587 4.749 -3.084) 14.720 2.312 ( -4.374 2.224 3.146) 5.829 2.593 ( -0.650 -4.093 1.386) 4.370 2.677 ( 7.052 -9.774 5.480) 13.240 2.741 ( -1.056 -3.898 12.003) 12.664 2.904 ( -0.066 -0.660 3.361) 3.426 3.071 ( 3.366 -2.382 10.558) 11.335 3.173 ( -2.594 1.210 -3.770) 4.734 3.297 ( 0.480 -2.703 3.271) 4.271 3.864 ( -5.780 2.299 0.501) 6.241 3.978 ( -2.894 7.351 -0.283) 7.905 4.367 ( 0.859 -3.586 -2.374) 4.386 4.698 ( 1.511 -8.103 -10.574) 13.407 5.287 ( -1.660 -2.271 -4.369) 5.197 5.686 ( -12.500 -3.447 -5.265) 13.995 12.501 ( 0.160 0.559 1.537) 1.643 12.558 ( 1.096 -0.129 -0.286) 1.140 13.871 ( 0.861 0.961 1.051) 1.664 13.956 ( 0.881 0.284 -1.301) 1.597 17.394 ( -0.162 -1.112 2.853) 3.066 17.544 ( 0.063 -0.098 -1.301) 1.306 17.655 ( 0.698 1.132 -0.621) 1.468 17.706 ( -0.789 0.044 -1.361) 1.574 18.850 ( 0.893 -0.887 -0.732) 1.457 18.878 ( 0.176 -2.011 -2.082) 2.900 27.198 ( -0.157 0.126 -0.085) 0.219 27.216 ( -0.281 0.283 -0.531) 0.664 31.528 ( 7.319 2.024 3.535) 8.376 31.680 ( 4.413 -1.823 0.899) 4.859 32.015 ( 3.823 11.418 0.830) 12.070 32.072 ( 7.127 0.021 1.232) 7.232 32.940 ( -6.032 1.720 9.653) 11.512 33.648 ( -4.697 -9.839 -11.866) 16.114 ======================= Grid point 257 (82/144) ======================= q-point: ( 0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 6.922 -3.708 9.815) 12.570 1.772 ( -3.368 -1.417 -1.045) 3.801 1.980 ( 4.382 4.033 1.031) 6.044 2.095 ( 12.553 1.195 -2.566) 12.869 2.300 ( 5.057 0.809 7.758) 9.296 2.612 ( -2.327 -0.680 -1.547) 2.876 2.723 ( -2.858 -0.593 14.374) 14.667 2.907 ( -2.642 -3.575 4.289) 6.177 2.932 ( 5.207 -5.980 4.431) 9.083 3.082 ( -7.555 -0.182 -2.285) 7.895 3.182 ( 2.695 -6.127 6.069) 9.035 3.401 ( 4.552 -5.506 5.662) 9.116 3.796 ( -0.143 1.492 0.612) 1.619 3.857 ( -1.858 4.561 0.989) 5.023 4.415 ( -0.783 -2.852 -2.267) 3.727 4.810 ( 0.370 -6.004 -13.146) 14.456 5.311 ( -1.134 -3.917 -3.339) 5.270 5.581 ( -10.853 -2.784 -3.475) 11.731 12.495 ( -0.101 0.366 1.723) 1.764 12.571 ( 0.841 0.137 -0.508) 0.992 13.871 ( 0.805 0.724 1.060) 1.515 13.962 ( 0.805 0.406 -1.486) 1.738 17.414 ( 0.555 -1.044 1.793) 2.148 17.546 ( 0.164 -0.040 -1.556) 1.565 17.647 ( 0.413 0.943 -0.070) 1.031 17.687 ( -1.174 0.732 -0.371) 1.432 18.878 ( 1.492 -0.814 -0.907) 1.927 18.899 ( -0.014 -0.909 -1.923) 2.127 27.194 ( -0.116 0.095 -0.265) 0.305 27.208 ( -0.263 0.354 -0.584) 0.732 31.581 ( 6.725 3.187 2.820) 7.958 31.754 ( 5.254 1.158 -1.605) 5.614 31.923 ( 3.163 6.744 3.002) 8.031 32.123 ( 3.402 2.837 -1.553) 4.694 32.866 ( -3.874 -0.380 13.171) 13.734 33.717 ( -4.046 -7.651 -12.479) 15.186 ======================= Grid point 258 (83/144) ======================= q-point: ( 0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.933 3.865 5.212) 6.555 1.752 ( 3.432 1.562 2.493) 4.521 2.022 ( 0.133 -4.638 -1.787) 4.972 2.217 ( 8.005 3.067 -0.676) 8.599 2.354 ( 4.595 2.644 8.708) 10.194 2.560 ( -5.672 0.766 -0.220) 5.727 2.710 ( -1.819 -3.202 13.399) 13.896 2.860 ( -4.980 0.239 7.296) 8.836 2.981 ( -8.249 -2.453 -2.668) 9.010 3.040 ( -0.391 -3.720 -1.277) 3.952 3.337 ( 2.215 -8.961 7.279) 11.756 3.511 ( 2.048 -3.211 6.894) 7.876 3.792 ( 3.619 3.411 1.812) 5.293 3.820 ( 3.291 2.410 0.820) 4.160 4.429 ( -2.244 -2.150 -2.276) 3.852 4.873 ( -1.650 -3.779 -15.060) 15.614 5.375 ( 0.177 -5.981 -2.011) 6.313 5.487 ( -8.582 -1.872 -2.769) 9.210 12.489 ( -0.276 0.153 1.747) 1.775 12.576 ( 0.573 0.361 -0.721) 0.989 13.870 ( 0.463 0.617 1.015) 1.274 13.964 ( 0.490 0.544 -1.609) 1.768 17.434 ( 0.902 -0.391 0.928) 1.352 17.552 ( 0.447 -0.194 -1.684) 1.754 17.641 ( 0.166 0.423 0.431) 0.627 17.660 ( -1.112 0.886 0.566) 1.531 18.902 ( -0.093 -0.297 -1.112) 1.155 18.912 ( 2.070 -0.190 -1.455) 2.537 27.193 ( -0.040 -0.012 -0.369) 0.371 27.201 ( -0.122 0.264 -0.676) 0.736 31.609 ( 5.582 4.218 2.197) 7.333 31.759 ( 6.323 7.440 -2.251) 10.020 31.934 ( 2.721 -2.054 1.968) 3.936 32.083 ( -0.236 5.113 -2.495) 5.694 32.845 ( -2.019 -1.498 15.616) 15.817 33.762 ( -3.416 -5.604 -12.446) 14.070 ======================= Grid point 259 (84/144) ======================= q-point: (-0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 2.486 0.444 1.992) 3.217 1.759 ( 3.010 3.908 2.407) 5.488 2.092 ( -0.301 -4.124 -0.840) 4.219 2.186 ( 0.042 6.136 4.257) 7.468 2.295 ( -4.042 7.722 6.778) 11.041 2.470 ( -7.899 -3.030 -2.398) 8.793 2.750 ( 0.311 -1.003 16.617) 16.650 2.817 ( -4.256 -4.136 5.224) 7.906 2.962 ( -2.666 -3.988 -0.595) 4.833 3.065 ( -1.575 -1.892 -2.934) 3.830 3.435 ( -2.096 -3.224 5.311) 6.557 3.527 ( -1.643 2.014 9.523) 9.871 3.811 ( 6.333 2.344 0.310) 6.760 3.836 ( 5.813 2.954 2.189) 6.878 4.428 ( -2.619 -2.201 -3.145) 4.647 4.871 ( -4.232 -1.379 -15.648) 16.269 5.401 ( -4.445 -0.149 -1.316) 4.638 5.501 ( 0.108 -9.153 -2.881) 9.597 12.484 ( -0.399 -0.027 1.683) 1.730 12.575 ( 0.291 0.551 -0.855) 1.058 13.864 ( 0.011 0.635 0.927) 1.124 13.959 ( 0.053 0.657 -1.702) 1.825 17.447 ( 1.179 0.373 0.702) 1.422 17.561 ( 0.762 0.068 -1.954) 2.098 17.630 ( -0.973 0.459 1.395) 1.762 17.649 ( 0.038 -0.571 0.769) 0.959 18.899 ( 0.124 0.588 -0.620) 0.864 18.944 ( 2.400 0.001 -1.785) 2.992 27.194 ( 0.032 -0.060 -0.365) 0.371 27.199 ( 0.100 -0.041 -0.705) 0.713 31.598 ( 3.509 5.471 2.372) 6.919 31.749 ( 7.373 6.152 -1.751) 9.761 31.977 ( -1.202 3.736 0.722) 3.991 32.018 ( 1.454 -0.714 -2.690) 3.140 32.847 ( -1.380 -1.822 16.241) 16.401 33.791 ( -2.671 -4.188 -12.710) 13.646 ======================= Grid point 260 (85/144) ======================= q-point: (-0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -1.581 5.679 0.099) 5.896 1.733 ( 2.895 1.934 1.948) 3.990 2.047 ( -6.343 5.998 0.466) 8.742 2.086 ( -2.301 8.747 7.568) 11.793 2.187 ( 1.570 -3.975 3.818) 5.730 2.461 ( -4.683 -6.382 -2.914) 8.435 2.736 ( -3.086 -0.949 14.687) 15.038 2.840 ( -2.193 -2.703 4.887) 5.999 2.963 ( -4.096 0.779 5.606) 6.986 3.056 ( -1.305 -0.318 -2.878) 3.176 3.351 ( -5.294 7.112 6.259) 10.853 3.436 ( -3.872 3.900 7.942) 9.658 3.887 ( 8.132 0.549 0.069) 8.151 3.912 ( 8.153 -0.694 1.027) 8.247 4.417 ( -3.239 -1.243 -3.927) 5.240 4.812 ( -5.668 0.299 -15.097) 16.128 5.357 ( -2.419 -0.083 -1.666) 2.938 5.651 ( 1.530 -10.054 -3.593) 10.786 12.479 ( -0.484 -0.158 1.545) 1.626 12.568 ( -0.014 0.727 -0.894) 1.153 13.853 ( -0.287 0.568 0.801) 1.023 13.948 ( -0.301 0.613 -1.764) 1.892 17.454 ( 1.509 1.000 1.370) 2.270 17.567 ( 0.895 0.655 -1.573) 1.925 17.615 ( -1.005 -0.074 1.325) 1.665 17.664 ( -0.223 -1.567 0.734) 1.745 18.891 ( 0.465 1.041 -0.168) 1.153 18.971 ( 2.429 0.636 -2.342) 3.434 27.195 ( 0.148 -0.070 -0.355) 0.391 27.204 ( 0.231 -0.360 -0.543) 0.691 31.554 ( 2.197 5.742 3.300) 6.978 31.763 ( 6.568 4.941 -2.436) 8.572 31.881 ( -2.131 4.777 2.475) 5.787 32.045 ( -0.278 0.223 -2.912) 2.934 32.869 ( -0.302 -3.182 15.190) 15.522 33.812 ( -1.849 -2.923 -13.431) 13.869 ======================= Grid point 261 (86/144) ======================= q-point: (-0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -7.096 12.736 3.917) 15.096 1.705 ( -2.444 5.894 -1.670) 6.596 1.793 ( -7.292 12.589 7.697) 16.459 2.052 ( 3.662 4.260 -1.150) 5.734 2.302 ( 4.803 -6.548 4.317) 9.197 2.511 ( -1.875 -5.836 -2.130) 6.490 2.695 ( -5.708 -0.129 11.565) 12.897 2.780 ( -5.145 6.830 8.336) 11.941 2.856 ( -4.520 -0.139 8.198) 9.363 3.051 ( -1.008 0.578 0.634) 1.324 3.164 ( -5.371 6.965 8.251) 12.060 3.364 ( -0.900 1.379 2.805) 3.252 3.995 ( 8.387 -0.414 -0.015) 8.397 4.035 ( 8.122 -1.057 0.243) 8.194 4.374 ( -4.267 0.427 -4.238) 6.030 4.725 ( -5.660 1.632 -14.112) 15.292 5.337 ( -0.998 0.067 -1.897) 2.145 5.817 ( 2.358 -9.542 -6.126) 11.582 12.476 ( -0.511 -0.239 1.310) 1.427 12.555 ( -0.293 0.894 -0.858) 1.273 13.843 ( -0.321 0.262 0.663) 0.781 13.936 ( -0.418 0.341 -1.742) 1.824 17.460 ( 2.020 1.288 2.789) 3.677 17.565 ( 0.462 0.804 -0.521) 1.063 17.604 ( -1.182 -0.203 0.538) 1.314 17.684 ( -0.518 -1.816 0.223) 1.902 18.882 ( 0.646 1.277 0.046) 1.431 18.985 ( 2.177 1.656 -2.962) 4.032 27.199 ( 0.213 -0.121 -0.181) 0.305 27.213 ( 0.236 -0.432 -0.450) 0.667 31.491 ( 0.634 5.878 4.193) 7.248 31.759 ( 4.031 6.404 -1.868) 7.795 31.810 ( -1.027 1.211 3.257) 3.623 31.995 ( -3.428 3.113 -1.288) 4.806 32.935 ( 1.254 -5.168 12.563) 13.642 33.826 ( -0.775 -1.361 -14.256) 14.342 ======================= Grid point 262 (87/144) ======================= q-point: (-0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -7.104 16.207 5.602) 18.561 1.489 ( -6.775 14.026 -4.947) 16.343 1.533 ( -4.502 14.646 12.325) 19.664 1.947 ( 0.672 14.921 3.797) 15.411 2.466 ( 4.464 -5.306 3.188) 7.632 2.547 ( -0.798 2.569 2.841) 3.913 2.605 ( -0.845 -1.572 5.558) 5.837 2.692 ( -4.281 -3.904 6.081) 8.399 2.820 ( -3.158 -1.133 4.235) 5.403 2.976 ( -0.787 5.050 19.014) 19.688 3.098 ( -2.268 -1.851 -2.883) 4.109 3.355 ( 0.485 0.202 1.421) 1.515 4.098 ( 6.262 -0.303 0.209) 6.273 4.136 ( 5.874 -0.180 -0.389) 5.890 4.301 ( -4.533 1.509 -3.868) 6.147 4.621 ( -4.438 3.955 -12.341) 13.698 5.325 ( -0.288 0.453 -2.422) 2.480 5.970 ( 2.374 -7.284 -10.352) 12.879 12.473 ( -0.404 -0.273 0.988) 1.102 12.536 ( -0.379 1.010 -0.763) 1.321 13.839 ( -0.196 -0.267 0.632) 0.713 13.929 ( -0.280 -0.045 -1.574) 1.600 17.475 ( 2.659 0.719 4.283) 5.092 17.555 ( -0.705 0.535 0.384) 0.964 17.588 ( -1.276 0.182 -0.203) 1.305 17.701 ( -0.350 -1.379 -0.479) 1.501 18.871 ( 0.486 1.283 0.001) 1.372 18.976 ( 1.504 3.058 -3.510) 4.892 27.203 ( 0.154 -0.096 -0.006) 0.181 27.221 ( 0.130 -0.317 -0.430) 0.550 31.403 ( -0.893 6.035 4.624) 7.655 31.706 ( 3.068 6.465 -1.168) 7.251 31.794 ( -2.733 -0.074 1.912) 3.337 31.907 ( -2.684 1.206 2.239) 3.698 33.035 ( 1.502 -5.976 10.254) 11.963 33.830 ( 0.453 0.662 -14.587) 14.609 ======================= Grid point 263 (88/144) ======================= q-point: (-0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.000 18.547 6.725) 19.729 1.217 ( -0.000 15.656 -5.299) 16.529 1.257 ( -0.000 18.469 14.494) 23.477 1.723 ( -0.000 14.664 13.298) 19.796 2.426 ( -0.000 8.023 6.239) 10.163 2.573 ( 0.000 -4.660 1.728) 4.970 2.676 ( 0.000 -3.523 -1.344) 3.770 2.755 ( 0.000 -5.643 7.561) 9.434 2.814 ( 0.000 -1.284 4.323) 4.509 2.929 ( -0.000 0.471 17.851) 17.858 3.107 ( 0.000 -1.582 -3.822) 4.137 3.360 ( 0.000 -0.226 1.462) 1.479 4.146 ( 0.000 -0.086 0.602) 0.608 4.177 ( -0.000 0.516 -0.344) 0.620 4.241 ( -0.000 1.344 -3.249) 3.516 4.507 ( -0.000 7.527 -8.179) 11.115 5.315 ( -0.000 0.746 -3.283) 3.367 6.064 ( 0.000 -3.168 -15.099) 15.428 12.474 ( 0.000 -0.301 0.677) 0.741 12.519 ( -0.000 0.943 -0.578) 1.106 13.846 ( 0.000 -0.909 0.836) 1.235 13.930 ( 0.000 -0.247 -1.292) 1.315 17.504 ( 0.000 -1.131 5.069) 5.194 17.538 ( -0.000 0.218 0.314) 0.382 17.570 ( -0.000 0.662 -0.596) 0.891 17.711 ( 0.000 -0.220 -1.226) 1.245 18.857 ( -0.000 1.177 -0.263) 1.206 18.933 ( -0.000 4.477 -3.208) 5.508 27.205 ( -0.000 0.005 0.063) 0.064 27.225 ( 0.000 -0.151 -0.464) 0.488 31.315 ( -0.000 4.802 4.520) 6.594 31.640 ( -0.000 6.098 -4.563) 7.616 31.756 ( -0.000 0.354 4.380) 4.394 31.932 ( 0.000 -6.191 3.416) 7.071 33.128 ( 0.000 -5.292 9.133) 10.555 33.808 ( -0.000 3.599 -13.484) 13.956 ======================= Grid point 266 (89/144) ======================= q-point: ( 0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 10.874 -0.000 5.055) 11.991 1.546 ( 4.496 -0.000 10.856) 11.750 2.070 ( 29.710 -0.000 0.163) 29.710 2.104 ( 25.890 -0.000 0.225) 25.891 2.300 ( 3.286 -0.000 6.865) 7.610 2.448 ( -8.316 0.000 2.804) 8.776 2.569 ( -1.566 0.000 0.362) 1.607 2.649 ( -4.364 0.000 8.090) 9.192 2.910 ( -2.650 0.000 5.619) 6.213 3.060 ( 4.212 -0.000 11.550) 12.294 3.166 ( -2.581 0.000 -1.161) 2.830 3.275 ( -3.756 0.000 0.576) 3.800 3.906 ( -7.700 0.000 0.734) 7.735 4.185 ( 1.089 -0.000 -11.012) 11.066 4.337 ( 1.597 -0.000 3.799) 4.121 4.445 ( -1.830 0.000 -3.851) 4.264 5.253 ( -2.112 0.000 -6.680) 7.006 5.612 ( -13.493 0.000 -5.307) 14.499 12.512 ( -0.141 0.000 1.609) 1.615 12.556 ( 1.520 -0.000 -0.165) 1.529 13.891 ( 0.661 -0.000 0.903) 1.119 13.960 ( 0.959 -0.000 -1.042) 1.416 17.377 ( -0.266 0.000 3.290) 3.300 17.542 ( 0.405 -0.000 -0.835) 0.928 17.680 ( -0.364 0.000 -1.634) 1.674 17.697 ( 0.383 -0.000 -2.423) 2.453 18.829 ( 1.121 -0.000 -0.351) 1.175 18.850 ( 1.825 -0.000 -1.768) 2.541 27.200 ( -0.166 0.000 0.035) 0.170 27.220 ( -0.246 0.000 -0.518) 0.574 31.570 ( 9.723 -0.000 3.701) 10.404 31.646 ( 4.580 -0.000 2.310) 5.129 32.060 ( 8.618 -0.000 4.866) 9.897 32.271 ( 5.497 -0.000 -4.367) 7.020 32.983 ( -7.877 0.000 6.434) 10.170 33.422 ( -5.697 0.000 -8.202) 9.987 ======================= Grid point 267 (90/144) ======================= q-point: ( 0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 8.968 -5.866 1.910) 10.885 1.624 ( 2.575 -3.827 8.906) 10.029 2.229 ( 0.572 7.437 2.109) 7.751 2.269 ( 9.680 7.367 2.442) 12.407 2.330 ( 8.282 3.861 2.845) 9.571 2.536 ( 5.251 -3.099 2.732) 6.681 2.629 ( 8.167 -9.533 0.684) 12.572 2.660 ( 0.156 -5.840 5.510) 8.031 2.867 ( -3.826 -0.700 5.679) 6.883 3.087 ( -0.914 1.558 10.270) 10.428 3.130 ( -3.074 -0.423 0.257) 3.114 3.253 ( -1.191 -3.831 4.009) 5.672 3.810 ( -5.122 0.206 0.910) 5.206 4.086 ( -1.796 10.513 -4.863) 11.722 4.335 ( 0.409 -1.330 -0.813) 1.611 4.547 ( -2.362 -12.160 -4.876) 13.313 5.234 ( -2.211 -1.351 -7.534) 7.967 5.474 ( -11.481 -3.022 -4.167) 12.582 12.506 ( -0.424 0.274 1.984) 2.047 12.574 ( 1.337 0.072 -0.364) 1.387 13.895 ( 0.769 0.690 0.962) 1.412 13.972 ( 1.042 0.192 -1.212) 1.610 17.385 ( 0.700 -0.680 2.713) 2.883 17.548 ( 0.525 0.078 -1.172) 1.286 17.671 ( -0.100 0.487 -1.282) 1.375 17.697 ( -0.494 0.123 -1.996) 2.060 18.852 ( 1.439 -0.753 -0.464) 1.689 18.880 ( 2.208 -0.327 -2.018) 3.009 27.197 ( -0.197 0.063 -0.027) 0.208 27.216 ( -0.289 0.160 -0.525) 0.620 31.672 ( 8.876 2.453 3.035) 9.696 31.723 ( 5.566 -1.321 2.632) 6.297 32.161 ( 7.475 2.112 3.657) 8.586 32.269 ( 7.215 9.724 -1.955) 12.265 32.867 ( -7.918 0.876 7.143) 10.700 33.432 ( -5.435 -9.939 -10.335) 15.335 ======================= Grid point 268 (91/144) ======================= q-point: ( 0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 5.735 -7.250 2.504) 9.577 1.682 ( -2.164 -2.704 5.432) 6.442 2.063 ( -4.853 6.745 1.070) 8.379 2.322 ( 8.108 5.013 -2.191) 9.781 2.397 ( 8.011 -2.114 8.138) 11.613 2.570 ( 0.486 0.372 2.221) 2.304 2.683 ( -4.099 2.389 7.653) 9.004 2.807 ( -2.333 -4.394 2.193) 5.437 2.897 ( 1.396 -4.723 0.230) 4.931 2.969 ( -8.736 1.948 4.522) 10.028 3.150 ( 2.255 -3.502 7.862) 8.897 3.350 ( 1.354 -7.602 5.709) 9.603 3.806 ( 2.422 -2.022 0.517) 3.197 3.941 ( 0.729 7.336 -0.309) 7.379 4.361 ( -1.300 -2.315 -1.707) 3.156 4.670 ( -3.913 -10.586 -7.722) 13.674 5.237 ( -2.037 -3.069 -7.226) 8.111 5.394 ( -8.837 -3.850 -3.739) 10.339 12.496 ( -0.508 0.262 2.120) 2.196 12.587 ( 1.059 0.326 -0.668) 1.294 13.893 ( 0.767 0.908 1.017) 1.565 13.980 ( 0.964 0.488 -1.431) 1.793 17.410 ( 1.167 -1.030 2.139) 2.645 17.553 ( 0.601 0.254 -1.320) 1.473 17.663 ( -0.024 0.664 -0.744) 0.998 17.681 ( -0.976 0.683 -1.335) 1.789 18.882 ( 1.323 -0.825 -0.551) 1.653 18.911 ( 2.218 -0.027 -1.864) 2.897 27.194 ( -0.172 0.055 -0.152) 0.236 27.209 ( -0.258 0.263 -0.560) 0.671 31.738 ( 8.499 3.997 2.644) 9.757 31.816 ( 5.685 -1.695 1.952) 6.245 32.130 ( 5.418 11.823 0.007) 13.005 32.248 ( 5.978 7.257 -0.476) 9.415 32.787 ( -5.447 -2.219 10.448) 11.990 33.518 ( -5.392 -11.091 -11.296) 16.724 ======================= Grid point 269 (92/144) ======================= q-point: ( 0.45 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -2.296 0.627 5.751) 6.224 1.781 ( 3.759 -4.684 2.488) 6.501 1.953 ( -4.561 -0.290 0.034) 4.571 2.347 ( -3.034 -1.702 -4.020) 5.316 2.458 ( 3.900 10.974 3.579) 12.184 2.546 ( -5.591 5.858 2.902) 8.602 2.609 ( 0.524 -6.806 9.880) 12.009 2.757 ( -8.493 -4.884 1.474) 9.907 2.857 ( -1.981 0.117 11.178) 11.353 2.983 ( 0.083 -2.994 -1.914) 3.554 3.262 ( 2.474 -6.037 8.229) 10.502 3.460 ( -0.106 -6.083 5.164) 7.980 3.881 ( 4.256 0.018 0.187) 4.260 3.916 ( 6.692 2.933 1.491) 7.457 4.360 ( -3.185 -1.868 -1.541) 4.001 4.739 ( -6.209 -8.227 -10.095) 14.427 5.272 ( -2.176 -5.717 -6.047) 8.601 5.349 ( -5.818 -3.092 -3.454) 7.439 12.486 ( -0.508 0.158 2.101) 2.167 12.592 ( 0.778 0.581 -0.965) 1.369 13.888 ( 0.523 1.004 1.001) 1.511 13.982 ( 0.693 0.828 -1.629) 1.954 17.441 ( 1.401 -0.855 1.575) 2.275 17.558 ( 0.742 0.106 -1.168) 1.388 17.652 ( 0.052 0.870 -0.492) 1.000 17.656 ( -1.131 0.786 -0.370) 1.426 18.904 ( 0.861 -0.247 -0.484) 1.018 18.941 ( 2.453 -0.043 -1.624) 2.942 27.192 ( -0.107 -0.025 -0.253) 0.275 27.203 ( -0.127 0.233 -0.629) 0.682 31.771 ( 7.265 5.820 2.737) 9.703 31.919 ( 5.980 -2.194 0.544) 6.393 32.034 ( 6.924 12.014 -0.442) 13.873 32.179 ( 0.979 8.194 -2.063) 8.507 32.779 ( -2.825 -3.233 13.135) 13.819 33.596 ( -5.264 -9.489 -11.477) 15.795 ======================= Grid point 270 (93/144) ======================= q-point: (-0.45 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 2.412 -0.460 4.902) 5.483 1.832 ( 0.236 1.224 -1.260) 1.772 1.965 ( -4.067 -7.702 3.319) 9.320 2.225 ( -11.716 3.048 3.536) 12.612 2.327 ( -5.931 5.037 0.116) 7.782 2.383 ( -3.445 3.617 -0.454) 5.016 2.696 ( -4.586 -2.563 9.556) 10.905 2.762 ( 4.825 -1.880 11.220) 12.357 2.912 ( 4.475 -2.789 3.042) 6.088 3.008 ( -1.551 -2.201 -3.525) 4.436 3.351 ( -1.528 -4.664 8.951) 10.208 3.508 ( -1.807 -1.814 6.251) 6.755 3.930 ( 6.403 1.688 -0.701) 6.659 3.962 ( 6.323 3.275 2.461) 7.534 4.345 ( -3.856 -2.771 -2.502) 5.367 4.743 ( -8.216 -5.676 -11.665) 15.356 5.310 ( -4.586 -3.987 -4.948) 7.837 5.367 ( -0.822 -7.244 -3.097) 7.921 12.478 ( -0.469 0.053 1.992) 2.047 12.591 ( 0.488 0.806 -1.170) 1.502 13.878 ( 0.163 1.090 0.903) 1.425 13.974 ( 0.309 1.123 -1.799) 2.143 17.468 ( 1.668 -0.228 1.229) 2.085 17.570 ( 0.885 -0.288 -1.024) 1.384 17.628 ( -0.966 1.050 0.356) 1.471 17.645 ( -0.172 0.223 0.008) 0.282 18.913 ( 0.727 0.418 -0.097) 0.844 18.974 ( 2.368 -0.187 -1.751) 2.951 27.192 ( -0.011 -0.152 -0.272) 0.311 27.200 ( 0.042 0.069 -0.669) 0.674 31.757 ( 5.500 7.697 3.453) 10.071 31.968 ( 3.851 6.292 0.440) 7.390 32.024 ( 8.941 3.455 -2.123) 9.818 32.068 ( -0.312 6.370 -2.389) 6.811 32.788 ( -2.513 -2.751 14.295) 14.773 33.654 ( -4.726 -8.012 -11.849) 15.064 ======================= Grid point 271 (94/144) ======================= q-point: (-0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.081 3.899 -0.193) 3.904 1.786 ( -2.131 -0.082 -0.333) 2.159 1.971 ( -6.439 -1.233 5.495) 8.554 2.098 ( -3.143 0.302 7.068) 7.742 2.218 ( -1.148 1.001 1.778) 2.341 2.348 ( -1.178 -2.563 -2.652) 3.872 2.649 ( -5.448 -1.485 11.614) 12.914 2.839 ( 4.158 0.997 9.760) 10.656 2.954 ( -0.089 2.243 -0.539) 2.309 3.028 ( 0.061 -2.105 -2.460) 3.238 3.330 ( -5.651 1.321 9.866) 11.446 3.451 ( -3.410 4.141 8.670) 10.196 4.003 ( 7.542 0.833 -1.094) 7.666 4.021 ( 8.184 0.585 1.101) 8.278 4.334 ( -4.598 -2.814 -3.516) 6.436 4.701 ( -8.183 -3.695 -12.613) 15.482 5.306 ( -2.430 -2.270 -4.271) 5.413 5.492 ( -0.891 -11.368 -3.030) 11.799 12.472 ( -0.393 -0.019 1.809) 1.851 12.582 ( 0.197 1.007 -1.250) 1.617 13.862 ( -0.077 1.050 0.725) 1.279 13.959 ( -0.009 1.215 -1.931) 2.281 17.489 ( 1.954 0.540 1.549) 2.551 17.588 ( 1.177 -0.098 -1.202) 1.685 17.602 ( -1.212 0.611 1.190) 1.805 17.642 ( -0.612 -0.521 0.280) 0.851 18.913 ( 0.691 0.825 0.295) 1.116 19.004 ( 1.957 -0.032 -2.120) 2.885 27.195 ( 0.095 -0.200 -0.286) 0.362 27.202 ( 0.139 -0.220 -0.557) 0.615 31.701 ( 3.947 8.546 4.442) 10.409 31.919 ( 0.578 5.480 0.592) 5.543 31.968 ( 3.248 7.390 -0.628) 8.097 32.084 ( 4.793 3.923 -4.762) 7.813 32.802 ( -1.930 -3.930 14.528) 15.174 33.705 ( -3.551 -6.809 -12.650) 14.798 ======================= Grid point 272 (95/144) ======================= q-point: (-0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -3.892 11.111 2.012) 11.943 1.757 ( -2.885 3.336 -4.886) 6.583 1.874 ( -1.693 7.870 10.509) 13.238 2.102 ( 1.390 -2.295 2.171) 3.452 2.275 ( 3.218 -5.570 3.106) 7.144 2.420 ( 1.310 -6.321 -1.894) 6.728 2.600 ( -5.362 -1.193 10.799) 12.116 2.831 ( 0.565 4.980 3.513) 6.121 2.854 ( -3.316 7.288 8.316) 11.544 3.043 ( 0.111 -0.354 -2.712) 2.737 3.194 ( -4.983 6.456 13.656) 15.906 3.369 ( -1.307 1.792 5.909) 6.312 4.097 ( 7.179 0.081 -0.410) 7.191 4.128 ( 7.360 -0.449 -0.396) 7.384 4.299 ( -5.821 -1.713 -3.990) 7.262 4.650 ( -5.466 -1.904 -13.559) 14.743 5.312 ( -0.971 -1.517 -3.542) 3.974 5.659 ( -0.296 -13.131 -4.164) 13.779 12.469 ( -0.254 -0.066 1.550) 1.572 12.568 ( -0.019 1.163 -1.206) 1.676 13.848 ( -0.102 0.791 0.510) 0.946 13.942 ( -0.123 0.990 -1.969) 2.207 17.503 ( 1.959 1.008 2.848) 3.601 17.575 ( -1.137 0.861 0.911) 1.692 17.600 ( 0.625 0.457 -0.878) 1.171 17.648 ( -0.787 -1.834 0.317) 2.021 18.907 ( 0.473 1.107 0.475) 1.294 19.022 ( 1.196 0.471 -2.634) 2.931 27.199 ( 0.118 -0.172 -0.240) 0.318 27.209 ( 0.117 -0.453 -0.411) 0.623 31.617 ( 1.855 8.745 5.116) 10.299 31.840 ( -0.815 4.678 3.187) 5.719 31.924 ( 3.958 5.897 -1.715) 7.307 32.031 ( -0.317 7.517 -4.497) 8.765 32.859 ( -0.306 -6.049 13.144) 14.473 33.757 ( -1.689 -5.356 -13.634) 14.745 ======================= Grid point 273 (96/144) ======================= q-point: (-0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -0.000 15.471 4.006) 15.982 1.631 ( -0.000 10.750 -5.757) 12.194 1.709 ( -0.000 13.012 12.832) 18.275 2.116 ( -0.000 5.232 -1.851) 5.550 2.400 ( 0.000 -7.082 2.729) 7.590 2.530 ( 0.000 -6.461 -1.802) 6.708 2.568 ( 0.000 -2.362 11.360) 11.603 2.675 ( -0.000 9.838 9.728) 13.836 2.798 ( -0.000 1.217 4.206) 4.379 3.057 ( 0.000 -1.460 -3.280) 3.590 3.061 ( -0.000 7.134 18.683) 19.999 3.356 ( 0.000 -0.173 2.471) 2.477 4.148 ( -0.000 0.235 0.784) 0.818 4.193 ( -0.000 0.626 -0.561) 0.841 4.259 ( 0.000 -0.922 -4.908) 4.994 4.622 ( -0.000 0.815 -13.830) 13.854 5.321 ( 0.000 -0.612 -2.734) 2.801 5.841 ( 0.000 -12.011 -6.990) 13.897 12.468 ( 0.000 -0.123 1.245) 1.251 12.550 ( -0.000 1.203 -1.045) 1.593 13.839 ( -0.000 0.351 0.408) 0.538 13.930 ( -0.000 0.485 -1.842) 1.905 17.507 ( -0.000 0.854 4.702) 4.779 17.552 ( -0.000 0.762 0.363) 0.844 17.593 ( -0.000 0.897 -0.774) 1.185 17.673 ( 0.000 -2.111 -0.051) 2.111 18.893 ( -0.000 1.284 0.371) 1.336 19.017 ( -0.000 1.443 -3.251) 3.557 27.203 ( 0.000 -0.149 -0.105) 0.182 27.216 ( 0.000 -0.446 -0.384) 0.589 31.505 ( -0.000 8.303 5.130) 9.760 31.780 ( -0.000 2.689 4.536) 5.273 31.877 ( -0.000 10.249 -5.282) 11.530 31.908 ( -0.000 2.413 0.868) 2.565 32.952 ( 0.000 -6.748 11.411) 13.257 33.809 ( 0.000 -3.154 -14.453) 14.793 ======================= Grid point 278 (97/144) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 5.214 -0.000 -2.496) 5.780 1.634 ( 2.417 -0.000 7.495) 7.875 2.249 ( -3.913 0.000 6.251) 7.374 2.251 ( -5.747 0.000 6.807) 8.909 2.475 ( -5.312 0.000 3.859) 6.566 2.561 ( 1.206 -0.000 -3.369) 3.578 2.681 ( 13.887 -0.000 2.594) 14.127 2.789 ( 18.867 -0.000 -1.420) 18.920 2.792 ( -7.104 0.000 6.030) 9.318 3.069 ( -5.231 0.000 -2.486) 5.791 3.092 ( -3.016 0.000 15.749) 16.036 3.179 ( -2.077 0.000 5.756) 6.119 3.770 ( 0.185 -0.000 1.677) 1.688 4.148 ( -4.170 0.000 -10.484) 11.283 4.360 ( -2.766 0.000 0.137) 2.769 4.363 ( 0.151 -0.000 3.358) 3.361 5.198 ( -1.959 0.000 -9.652) 9.849 5.330 ( -7.598 0.000 -5.089) 9.144 12.500 ( -0.665 0.000 2.316) 2.410 12.592 ( 1.242 -0.000 -0.624) 1.390 13.909 ( 0.690 -0.000 0.932) 1.160 13.988 ( 1.128 -0.000 -1.283) 1.708 17.393 ( 1.213 -0.000 2.530) 2.805 17.558 ( 0.758 -0.000 -1.062) 1.305 17.669 ( -0.427 0.000 -1.659) 1.713 17.695 ( -0.385 0.000 -1.891) 1.930 18.868 ( 1.794 -0.000 -0.214) 1.806 18.910 ( 2.573 -0.000 -2.038) 3.282 27.195 ( -0.232 0.000 -0.007) 0.232 27.213 ( -0.302 0.000 -0.518) 0.600 31.781 ( 5.678 -0.000 3.425) 6.631 31.806 ( 8.239 -0.000 2.319) 8.559 32.294 ( 9.390 -0.000 4.521) 10.421 32.435 ( 6.977 -0.000 -1.194) 7.078 32.768 ( -8.524 0.000 5.099) 9.933 33.280 ( -5.511 0.000 -10.549) 11.901 ======================= Grid point 279 (98/144) ======================= q-point: ( 0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -0.836 -4.674 -4.547) 6.574 1.669 ( 1.800 -1.352 6.022) 6.429 2.081 ( -6.094 6.945 4.604) 10.323 2.308 ( -2.783 -7.004 8.495) 11.357 2.372 ( -6.438 -0.439 1.471) 6.618 2.588 ( -3.904 -4.423 -2.104) 6.263 2.653 ( -10.519 0.841 4.382) 11.426 2.803 ( 5.632 6.438 2.935) 9.043 2.884 ( -2.961 3.887 6.176) 7.876 2.971 ( 3.269 1.691 5.695) 6.781 3.136 ( 3.374 -4.622 3.763) 6.849 3.239 ( 1.000 -6.668 5.713) 8.837 3.828 ( 6.100 -1.700 2.024) 6.648 4.047 ( 0.338 5.637 -2.407) 6.139 4.326 ( -1.045 -0.399 -1.555) 1.916 4.453 ( -4.317 -10.003 0.027) 10.895 5.183 ( -1.673 -1.189 -10.368) 10.570 5.268 ( -4.709 -1.905 -5.969) 7.838 12.490 ( -0.655 0.110 2.453) 2.541 12.605 ( 1.007 0.250 -0.965) 1.417 13.913 ( 0.642 0.579 0.969) 1.299 13.999 ( 1.047 0.342 -1.461) 1.830 17.414 ( 1.373 -0.646 2.346) 2.794 17.566 ( 0.817 0.238 -0.960) 1.283 17.663 ( -0.479 0.131 -1.504) 1.584 17.684 ( -0.489 0.673 -1.601) 1.804 18.893 ( 1.580 -0.313 -0.067) 1.612 18.942 ( 2.343 0.050 -1.884) 3.007 27.192 ( -0.212 0.009 -0.059) 0.220 27.208 ( -0.264 0.123 -0.532) 0.606 31.861 ( 5.713 -0.976 3.576) 6.811 31.890 ( 7.047 1.940 2.218) 7.638 32.344 ( 6.587 8.013 0.992) 10.421 32.469 ( 7.331 9.006 -0.130) 11.613 32.671 ( -6.528 -2.873 6.857) 9.894 33.291 ( -5.510 -9.935 -10.643) 15.567 ======================= Grid point 280 (99/144) ======================= q-point: ( 0.45 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -4.411 -4.550 -1.758) 6.576 1.740 ( 1.871 -5.089 3.283) 6.339 1.914 ( -6.519 4.757 3.353) 8.739 2.241 ( -8.577 1.138 -0.560) 8.670 2.355 ( -14.146 -5.146 6.698) 16.476 2.495 ( -14.546 -1.831 1.593) 14.747 2.590 ( -0.284 -4.329 4.818) 6.484 2.747 ( 6.017 4.875 1.316) 7.856 2.882 ( 5.030 1.207 12.915) 13.912 3.003 ( 3.719 0.413 5.233) 6.433 3.236 ( 3.061 -2.318 1.745) 4.218 3.340 ( -1.605 -7.875 3.789) 8.885 3.935 ( 6.205 -1.108 1.565) 6.495 4.036 ( 5.663 2.439 0.795) 6.217 4.309 ( -2.382 -0.125 -1.558) 2.849 4.514 ( -7.420 -9.101 -2.245) 11.955 5.188 ( -1.648 -2.542 -10.103) 10.547 5.254 ( -2.720 -2.793 -6.029) 7.179 12.481 ( -0.538 0.116 2.441) 2.503 12.610 ( 0.741 0.539 -1.278) 1.572 13.909 ( 0.470 0.996 0.985) 1.478 14.003 ( 0.784 0.802 -1.669) 2.010 17.444 ( 1.334 -1.061 2.137) 2.733 17.573 ( 0.860 0.337 -0.731) 1.178 17.652 ( -0.694 0.451 -1.132) 1.402 17.666 ( -0.250 1.009 -1.230) 1.610 18.915 ( 1.110 -0.181 0.079) 1.127 18.970 ( 2.062 -0.057 -1.686) 2.664 27.189 ( -0.150 -0.039 -0.134) 0.205 27.204 ( -0.151 0.142 -0.576) 0.612 31.931 ( 6.188 3.957 2.690) 7.822 31.950 ( 4.384 -1.606 3.498) 5.834 32.282 ( 4.046 9.393 -1.776) 10.380 32.363 ( 4.689 13.221 -1.341) 14.092 32.693 ( -1.413 -4.338 9.334) 10.390 33.375 ( -5.596 -11.192 -10.264) 16.184 ======================= Grid point 281 (100/144) ======================= q-point: (-0.45 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -3.484 -6.806 -0.473) 7.660 1.782 ( -6.021 1.630 -1.439) 6.402 1.838 ( -1.147 -6.179 5.471) 8.332 2.114 ( -6.182 1.011 2.477) 6.736 2.208 ( -12.800 -2.216 5.171) 13.982 2.354 ( -8.315 -0.231 1.430) 8.440 2.662 ( 0.513 0.798 7.168) 7.230 2.783 ( 2.149 -5.046 6.969) 8.868 2.970 ( 7.949 0.430 3.749) 8.799 3.044 ( 5.299 2.467 4.083) 7.130 3.277 ( -1.281 -2.131 5.905) 6.407 3.422 ( -2.296 -6.854 3.153) 7.886 4.013 ( 5.166 -0.035 -0.267) 5.173 4.079 ( 5.297 2.334 1.950) 6.108 4.277 ( -2.731 -0.351 -1.538) 3.154 4.523 ( -9.351 -7.725 -3.996) 12.771 5.211 ( -1.732 -3.600 -9.203) 10.033 5.277 ( -1.263 -4.103 -5.356) 6.864 12.474 ( -0.384 0.086 2.328) 2.361 12.609 ( 0.459 0.810 -1.480) 1.749 13.897 ( 0.205 1.281 0.929) 1.596 13.996 ( 0.419 1.252 -1.864) 2.284 17.477 ( 1.278 -1.197 1.962) 2.630 17.580 ( 0.804 0.170 -0.365) 0.899 17.632 ( -0.755 0.947 -0.662) 1.380 17.651 ( -0.085 0.837 -0.907) 1.237 18.926 ( 0.719 0.153 0.331) 0.806 18.997 ( 1.667 -0.322 -1.671) 2.383 27.189 ( -0.065 -0.152 -0.173) 0.239 27.201 ( -0.019 0.060 -0.622) 0.626 31.927 ( 4.733 6.477 4.196) 9.053 32.005 ( 1.518 0.046 2.497) 2.923 32.171 ( -0.591 8.372 -2.033) 8.635 32.300 ( 10.901 10.261 -3.509) 15.376 32.716 ( -2.361 -2.343 10.841) 11.339 33.458 ( -4.965 -10.314 -10.426) 15.483 ======================= Grid point 282 (101/144) ======================= q-point: (-0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -7.561 -5.943 -2.274) 9.882 1.720 ( -0.521 0.172 -2.196) 2.264 1.886 ( -1.004 -4.086 8.375) 9.373 2.101 ( 2.266 -0.521 5.425) 5.902 2.132 ( -5.262 -3.807 4.302) 7.790 2.285 ( -4.974 -2.950 0.130) 5.785 2.617 ( -1.113 3.001 11.346) 11.789 2.889 ( 1.785 -4.284 2.075) 5.084 3.011 ( 2.687 4.327 0.167) 5.096 3.068 ( 5.391 3.994 0.921) 6.772 3.264 ( -4.418 -1.385 12.499) 13.329 3.449 ( -1.984 -0.075 5.773) 6.105 4.080 ( 4.313 -1.437 -2.838) 5.359 4.124 ( 5.800 0.807 1.483) 6.040 4.250 ( -3.074 -0.660 -1.740) 3.594 4.510 ( -7.959 -7.188 -6.337) 12.457 5.242 ( -1.121 -3.309 -7.755) 8.506 5.345 ( -0.653 -7.491 -4.247) 8.636 12.469 ( -0.208 0.054 2.130) 2.141 12.600 ( 0.186 1.039 -1.535) 1.863 13.879 ( 0.019 1.354 0.789) 1.567 13.980 ( 0.114 1.508 -2.016) 2.520 17.509 ( 1.186 -0.937 2.070) 2.564 17.586 ( 0.080 -0.008 0.276) 0.288 17.611 ( -0.139 0.849 -0.404) 0.951 17.638 ( -0.308 0.785 -0.770) 1.142 18.929 ( 0.409 0.462 0.582) 0.848 19.020 ( 0.987 -0.417 -1.857) 2.144 27.192 ( 0.010 -0.294 -0.191) 0.351 27.201 ( 0.044 -0.076 -0.601) 0.608 31.870 ( 2.786 8.471 5.597) 10.528 31.981 ( -0.557 3.720 1.504) 4.050 32.067 ( 0.226 5.850 -2.018) 6.192 32.294 ( 7.750 9.767 -5.798) 13.750 32.718 ( -2.468 -3.471 13.203) 13.873 33.545 ( -2.866 -9.328 -11.281) 14.916 ======================= Grid point 283 (102/144) ======================= q-point: (-0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -0.000 4.072 0.376) 4.089 1.734 ( 0.000 -2.059 -4.555) 4.998 1.931 ( 0.000 -0.837 9.036) 9.075 2.091 ( -0.000 2.091 6.344) 6.680 2.191 ( 0.000 -7.643 3.733) 8.505 2.336 ( 0.000 -6.830 -1.400) 6.972 2.573 ( -0.000 1.593 11.368) 11.479 2.922 ( -0.000 2.398 0.373) 2.427 2.932 ( -0.000 7.693 1.798) 7.900 3.055 ( -0.000 1.957 -1.668) 2.572 3.223 ( -0.000 2.526 15.504) 15.709 3.397 ( -0.000 3.734 8.417) 9.208 4.159 ( -0.000 0.545 0.930) 1.078 4.173 ( 0.000 -4.619 -5.044) 6.840 4.214 ( -0.000 0.894 -0.685) 1.126 4.550 ( 0.000 -5.982 -10.573) 12.148 5.276 ( 0.000 -2.532 -5.791) 6.320 5.476 ( 0.000 -11.603 -3.417) 12.095 12.467 ( -0.000 0.016 1.856) 1.856 12.585 ( -0.000 1.186 -1.440) 1.865 13.861 ( -0.000 1.166 0.606) 1.315 13.959 ( -0.000 1.431 -2.070) 2.517 17.527 ( -0.000 0.023 2.832) 2.832 17.576 ( -0.000 0.805 0.328) 0.870 17.617 ( 0.000 -1.218 0.120) 1.224 17.621 ( -0.000 1.058 -0.920) 1.402 18.923 ( -0.000 0.783 0.658) 1.023 19.031 ( 0.000 -0.191 -2.188) 2.197 27.197 ( 0.000 -0.298 -0.233) 0.378 27.204 ( 0.000 -0.284 -0.489) 0.565 31.761 ( -0.000 9.302 5.820) 10.973 31.909 ( -0.000 5.440 2.149) 5.849 32.001 ( -0.000 4.031 -1.816) 4.422 32.191 ( -0.000 11.369 -6.218) 12.958 32.770 ( 0.000 -5.697 13.721) 14.856 33.650 ( 0.000 -7.843 -12.497) 14.754 ======================= Grid point 290 (103/144) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -4.328 0.000 -4.695) 6.385 1.672 ( 0.394 -0.000 -0.106) 0.408 2.101 ( -6.773 0.000 9.136) 11.373 2.136 ( -6.479 0.000 7.042) 9.570 2.296 ( -6.509 0.000 1.225) 6.623 2.432 ( -12.992 0.000 -1.993) 13.144 2.478 ( -12.990 0.000 6.049) 14.330 2.902 ( 1.955 -0.000 17.041) 17.153 2.914 ( -0.811 0.000 -3.059) 3.165 3.031 ( -0.108 0.000 3.761) 3.762 3.075 ( 4.236 -0.000 6.794) 8.006 3.285 ( 6.946 -0.000 -0.907) 7.005 3.915 ( 8.551 -0.000 3.099) 9.095 4.095 ( 1.746 -0.000 -1.764) 2.482 4.315 ( -1.434 0.000 -1.278) 1.921 4.337 ( -2.200 0.000 3.223) 3.902 5.157 ( -1.209 0.000 -11.725) 11.787 5.210 ( -2.473 0.000 -7.760) 8.145 12.483 ( -0.592 0.000 2.635) 2.700 12.618 ( 0.811 -0.000 -1.296) 1.528 13.925 ( 0.531 -0.000 0.974) 1.109 14.015 ( 0.962 -0.000 -1.571) 1.842 17.427 ( 1.285 -0.000 2.446) 2.763 17.579 ( 0.806 -0.000 -0.556) 0.979 17.658 ( -0.437 0.000 -1.963) 2.011 17.682 ( -0.498 0.000 -1.542) 1.621 18.910 ( 1.339 -0.000 0.251) 1.362 18.969 ( 1.879 -0.000 -1.796) 2.600 27.189 ( -0.191 0.000 -0.033) 0.193 27.206 ( -0.232 0.000 -0.520) 0.569 31.922 ( 4.956 -0.000 4.845) 6.931 31.989 ( 6.167 -0.000 2.017) 6.488 32.522 ( 7.887 -0.000 0.819) 7.929 32.530 ( -6.133 0.000 5.590) 8.298 32.633 ( 4.245 -0.000 -0.559) 4.282 33.141 ( -5.089 0.000 -10.376) 11.557 ======================= Grid point 291 (104/144) ======================= q-point: ( 0.45 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -6.981 -3.544 -3.618) 8.625 1.684 ( -2.060 -2.856 -4.892) 6.027 1.918 ( -5.903 6.531 8.924) 12.536 2.100 ( -12.378 -5.227 7.947) 15.611 2.174 ( -8.151 3.598 0.853) 8.951 2.291 ( -10.362 -3.176 1.372) 10.925 2.443 ( -2.843 -9.368 5.910) 11.435 2.854 ( 0.549 5.063 9.248) 10.557 2.959 ( 3.455 -2.537 6.632) 7.896 3.038 ( 2.783 -0.927 8.131) 8.644 3.173 ( 0.264 -5.810 1.827) 6.096 3.336 ( 3.493 2.496 -1.933) 4.708 4.020 ( 7.395 0.492 3.010) 8.000 4.126 ( 4.432 1.103 0.462) 4.591 4.289 ( -1.710 0.505 -1.610) 2.402 4.339 ( -4.457 -4.388 2.662) 6.797 5.150 ( -0.906 -0.873 -12.083) 12.148 5.198 ( -1.327 -1.551 -8.234) 8.483 12.476 ( -0.423 0.054 2.674) 2.708 12.625 ( 0.554 0.314 -1.567) 1.692 13.926 ( 0.367 0.618 0.992) 1.225 14.023 ( 0.685 0.502 -1.720) 1.918 17.447 ( 1.001 -0.670 2.458) 2.737 17.587 ( 0.723 0.177 -0.159) 0.761 17.650 ( -0.460 0.349 -2.034) 2.114 17.673 ( -0.335 0.476 -1.411) 1.526 18.926 ( 0.865 -0.090 0.434) 0.972 18.991 ( 1.346 -0.099 -1.662) 2.141 27.187 ( -0.130 -0.026 -0.060) 0.146 27.203 ( -0.143 0.051 -0.536) 0.558 31.984 ( 3.569 -0.668 5.241) 6.376 32.049 ( 5.464 2.060 3.086) 6.605 32.394 ( -4.417 5.767 1.634) 7.445 32.585 ( 4.548 6.798 -3.394) 8.855 32.664 ( 3.987 0.218 4.052) 5.689 33.158 ( -4.480 -9.278 -8.788) 13.542 ======================= Grid point 292 (105/144) ======================= q-point: (-0.45 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -6.252 -6.776 -2.574) 9.572 1.681 ( -5.492 -3.583 -8.277) 10.560 1.829 ( 2.323 1.776 11.452) 11.820 2.001 ( -10.540 -3.038 7.704) 13.404 2.088 ( -0.686 -1.142 1.653) 2.123 2.222 ( -6.920 -2.000 2.443) 7.606 2.590 ( -0.030 -11.407 2.876) 11.764 2.788 ( 0.144 4.582 13.378) 14.142 3.064 ( 3.743 -4.717 7.865) 9.906 3.102 ( 4.885 0.688 5.867) 7.665 3.254 ( -2.385 -8.921 -0.030) 9.235 3.311 ( 0.305 4.185 -1.007) 4.316 4.081 ( 4.278 1.560 0.731) 4.612 4.160 ( 3.299 1.275 1.408) 3.806 4.260 ( -1.065 0.730 -1.177) 1.747 4.334 ( -5.695 -4.472 2.228) 7.576 5.160 ( -0.562 -1.878 -11.721) 11.884 5.216 ( -0.622 -2.738 -7.591) 8.094 12.471 ( -0.214 0.074 2.594) 2.604 12.624 ( 0.271 0.623 -1.711) 1.841 13.917 ( 0.153 1.134 0.974) 1.503 14.018 ( 0.310 1.040 -1.871) 2.163 17.471 ( 0.598 -1.258 2.396) 2.771 17.592 ( 0.551 0.225 0.218) 0.634 17.636 ( -0.428 0.789 -1.807) 2.017 17.662 ( -0.102 0.708 -1.282) 1.468 18.935 ( 0.403 -0.012 0.576) 0.704 19.007 ( 0.775 -0.347 -1.609) 1.819 27.187 ( -0.058 -0.095 -0.097) 0.147 27.201 ( -0.042 0.030 -0.578) 0.580 32.020 ( 1.348 0.260 3.987) 4.217 32.065 ( 3.714 4.521 5.352) 7.929 32.259 ( -2.728 6.269 -0.888) 6.894 32.547 ( 6.583 7.903 -4.787) 11.345 32.679 ( -0.985 0.671 6.186) 6.300 33.253 ( -3.124 -10.731 -8.409) 13.986 ======================= Grid point 293 (106/144) ======================= q-point: (-0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 -7.907 -2.061) 8.171 1.685 ( 0.000 -2.632 -6.420) 6.938 1.862 ( 0.000 -0.546 12.321) 12.333 1.983 ( 0.000 -6.557 5.047) 8.275 2.160 ( 0.000 -5.327 -0.137) 5.328 2.165 ( -0.000 0.945 5.264) 5.349 2.667 ( -0.000 2.837 8.020) 8.507 2.797 ( 0.000 -7.547 5.638) 9.420 3.099 ( -0.000 3.794 1.346) 4.025 3.171 ( 0.000 -5.454 14.216) 15.226 3.216 ( -0.000 7.765 -1.629) 7.935 3.379 ( 0.000 -8.181 1.636) 8.343 4.089 ( -0.000 0.248 -2.058) 2.073 4.177 ( -0.000 0.660 1.127) 1.306 4.241 ( -0.000 0.949 -0.784) 1.231 4.354 ( 0.000 -5.745 0.394) 5.758 5.190 ( 0.000 -2.933 -10.411) 10.816 5.260 ( 0.000 -4.225 -6.147) 7.459 12.468 ( -0.000 0.076 2.407) 2.408 12.615 ( -0.000 0.884 -1.698) 1.914 13.900 ( -0.000 1.402 0.899) 1.666 14.002 ( -0.000 1.428 -1.985) 2.445 17.496 ( 0.000 -1.618 2.316) 2.825 17.593 ( -0.000 0.362 0.434) 0.565 17.620 ( -0.000 0.910 -1.249) 1.546 17.650 ( -0.000 0.922 -1.173) 1.492 18.936 ( -0.000 0.166 0.658) 0.679 19.019 ( 0.000 -0.506 -1.680) 1.755 27.189 ( 0.000 -0.211 -0.134) 0.250 27.201 ( 0.000 -0.018 -0.608) 0.609 32.002 ( -0.000 7.281 6.412) 9.702 32.014 ( -0.000 1.719 2.093) 2.708 32.156 ( -0.000 6.330 -2.057) 6.655 32.487 ( -0.000 9.007 -7.185) 11.521 32.661 ( 0.000 -1.336 11.566) 11.643 33.383 ( 0.000 -10.567 -9.615) 14.287 ======================= Grid point 302 (107/144) ======================= q-point: ( 0.45 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -6.549 0.000 -2.898) 7.161 1.617 ( -4.301 0.000 -9.018) 9.991 1.878 ( -7.533 0.000 6.130) 9.712 1.974 ( -0.877 0.000 13.144) 13.173 2.103 ( -8.778 0.000 1.297) 8.874 2.165 ( -3.332 0.000 1.193) 3.539 2.346 ( -0.295 0.000 6.961) 6.968 2.920 ( 0.324 -0.000 20.695) 20.697 2.933 ( 0.883 -0.000 -6.062) 6.126 3.020 ( -0.287 0.000 9.077) 9.082 3.175 ( 2.252 -0.000 2.910) 3.679 3.391 ( 1.701 -0.000 -3.018) 3.465 4.119 ( 6.680 -0.000 3.757) 7.664 4.183 ( 3.251 -0.000 0.268) 3.262 4.255 ( -4.109 0.000 3.668) 5.508 4.277 ( -1.406 0.000 -1.155) 1.819 5.135 ( -0.464 0.000 -12.718) 12.726 5.175 ( -0.542 0.000 -9.310) 9.326 12.472 ( -0.226 0.000 2.775) 2.784 12.633 ( 0.291 -0.000 -1.762) 1.785 13.935 ( 0.203 -0.000 1.005) 1.026 14.033 ( 0.388 -0.000 -1.778) 1.820 17.452 ( 0.539 -0.000 2.600) 2.655 17.595 ( 0.416 -0.000 0.385) 0.567 17.648 ( -0.260 0.000 -2.630) 2.643 17.672 ( -0.225 0.000 -1.435) 1.453 18.933 ( 0.440 -0.000 0.600) 0.744 19.002 ( 0.653 -0.000 -1.605) 1.733 27.186 ( -0.069 0.000 -0.041) 0.080 27.202 ( -0.082 0.000 -0.520) 0.527 32.017 ( 2.097 -0.000 6.577) 6.903 32.131 ( 4.709 -0.000 4.666) 6.630 32.354 ( -5.739 0.000 1.379) 5.902 32.672 ( 3.332 -0.000 -6.122) 6.970 32.740 ( 2.447 -0.000 1.689) 2.973 33.037 ( -2.465 0.000 -6.605) 7.050 ======================= Grid point 303 (108/144) ======================= q-point: (-0.45 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.000 -3.889 -2.308) 4.523 1.600 ( 0.000 -2.192 -9.147) 9.406 1.848 ( 0.000 -2.607 6.099) 6.633 1.934 ( -0.000 4.827 13.751) 14.573 2.051 ( 0.000 -2.091 0.015) 2.091 2.159 ( 0.000 -1.191 2.529) 2.796 2.425 ( 0.000 -10.149 5.700) 11.641 2.861 ( -0.000 5.103 12.536) 13.534 2.999 ( 0.000 -5.429 6.664) 8.595 3.082 ( 0.000 -8.176 5.191) 9.684 3.179 ( -0.000 1.576 2.615) 3.054 3.379 ( -0.000 3.142 -2.872) 4.257 4.155 ( -0.000 3.299 1.741) 3.730 4.192 ( -0.000 0.314 1.279) 1.317 4.246 ( 0.000 -2.925 3.984) 4.943 4.262 ( -0.000 0.415 -0.862) 0.957 5.138 ( 0.000 -0.796 -12.663) 12.688 5.183 ( 0.000 -1.468 -9.022) 9.141 12.470 ( -0.000 0.042 2.747) 2.747 12.632 ( -0.000 0.331 -1.813) 1.843 13.931 ( -0.000 0.659 1.003) 1.201 14.032 ( -0.000 0.572 -1.834) 1.921 17.460 ( 0.000 -0.706 2.581) 2.676 17.598 ( -0.000 0.060 0.595) 0.598 17.643 ( -0.000 0.496 -2.625) 2.672 17.668 ( -0.000 0.351 -1.396) 1.440 18.937 ( 0.000 -0.046 0.646) 0.648 19.008 ( 0.000 -0.210 -1.581) 1.594 27.185 ( 0.000 -0.034 -0.056) 0.065 27.201 ( -0.000 0.015 -0.537) 0.538 32.031 ( 0.000 -0.021 6.105) 6.105 32.149 ( -0.000 2.755 6.769) 7.308 32.292 ( -0.000 2.540 -1.153) 2.789 32.670 ( -0.000 3.463 -7.859) 8.588 32.715 ( -0.000 4.330 3.811) 5.768 33.092 ( 0.000 -8.566 -6.224) 10.589 ======================= Grid point 363 (109/144) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.000 0.000 9.275) 9.275 0.820 ( 0.000 0.000 -7.371) 7.371 1.284 ( 0.000 0.000 17.447) 17.447 1.568 ( 0.000 0.000 -9.380) 9.380 2.599 ( 0.000 0.000 17.341) 17.341 2.670 ( 0.000 0.000 1.449) 1.449 2.699 ( 0.000 0.000 -1.387) 1.387 2.838 ( 0.000 0.000 -5.520) 5.520 2.933 ( 0.000 0.000 5.248) 5.248 3.039 ( 0.000 0.000 -5.091) 5.091 3.216 ( 0.000 0.000 9.743) 9.743 3.330 ( 0.000 0.000 -3.028) 3.028 4.157 ( 0.000 0.000 0.371) 0.371 4.163 ( 0.000 0.000 -0.245) 0.245 4.299 ( 0.000 0.000 1.056) 1.056 4.310 ( 0.000 0.000 0.810) 0.810 5.331 ( 0.000 0.000 9.546) 9.546 5.661 ( 0.000 0.000 -20.835) 20.835 12.489 ( 0.000 0.000 0.382) 0.382 12.496 ( 0.000 0.000 -0.349) 0.349 13.891 ( 0.000 0.000 1.087) 1.087 13.913 ( 0.000 0.000 -1.072) 1.072 17.542 ( 0.000 0.000 0.352) 0.352 17.550 ( 0.000 0.000 -0.458) 0.458 17.600 ( 0.000 0.000 2.454) 2.454 17.649 ( 0.000 0.000 -2.306) 2.306 18.830 ( 0.000 0.000 0.716) 0.716 18.844 ( 0.000 0.000 -0.642) 0.642 27.208 ( 0.000 0.000 0.304) 0.304 27.216 ( 0.000 0.000 -0.495) 0.495 31.344 ( 0.000 0.000 5.320) 5.320 31.453 ( 0.000 0.000 -5.326) 5.326 31.854 ( 0.000 0.000 6.139) 6.139 31.986 ( 0.000 0.000 -6.909) 6.909 33.389 ( 0.000 0.000 8.503) 8.503 33.553 ( 0.000 0.000 -7.588) 7.588 ======================= Grid point 364 (110/144) ======================= q-point: ( 0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 21.159 -7.491 7.273) 23.595 1.028 ( 18.292 -7.884 -6.127) 20.840 1.366 ( 1.634 -10.316 14.482) 17.856 1.605 ( -1.497 -7.266 -7.989) 10.902 2.600 ( -1.705 -0.735 12.851) 12.985 2.648 ( -1.463 2.494 1.476) 3.246 2.679 ( -0.567 0.345 1.133) 1.313 2.821 ( -0.227 1.464 -4.505) 4.743 2.940 ( 1.953 0.780 5.274) 5.678 3.049 ( 2.297 0.876 -5.367) 5.903 3.231 ( 0.696 -1.717 10.614) 10.774 3.348 ( -0.339 -2.331 -2.039) 3.115 4.123 ( -4.916 0.466 0.020) 4.938 4.128 ( -4.245 0.064 -0.477) 4.272 4.291 ( 3.090 2.285 3.293) 5.061 4.366 ( 3.219 -2.212 -3.522) 5.260 5.343 ( -0.494 -1.961 9.698) 9.906 5.664 ( -1.886 -1.916 -19.886) 20.067 12.494 ( 0.815 0.072 0.506) 0.962 12.504 ( 0.768 -0.319 -0.463) 0.952 13.886 ( 0.262 0.869 1.241) 1.538 13.911 ( 0.268 0.486 -1.247) 1.365 17.528 ( -2.465 -0.030 1.360) 2.815 17.540 ( -0.774 -0.329 -0.124) 0.850 17.613 ( 1.757 0.228 1.591) 2.381 17.659 ( 0.231 -0.968 -2.510) 2.700 18.836 ( -0.583 -1.234 0.377) 1.416 18.848 ( -1.011 -1.564 -0.661) 1.976 27.208 ( -0.073 -0.013 0.289) 0.299 27.216 ( -0.076 0.020 -0.478) 0.485 31.385 ( 3.354 -2.269 5.290) 6.662 31.490 ( 2.492 -2.476 -4.905) 6.033 31.871 ( 3.035 0.303 5.116) 5.956 31.979 ( 1.799 2.663 -5.164) 6.082 33.354 ( -2.920 1.895 9.100) 9.743 33.535 ( -3.334 -0.890 -8.790) 9.443 ======================= Grid point 365 (111/144) ======================= q-point: ( 0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 16.928 -6.384 7.323) 19.517 1.376 ( 16.711 -6.812 -5.384) 18.832 1.604 ( 7.407 -12.671 7.377) 16.426 1.743 ( 1.645 -10.849 -5.632) 12.334 2.540 ( -4.642 3.341 4.062) 7.015 2.579 ( -1.685 2.251 -0.388) 2.839 2.730 ( 3.217 -4.853 7.147) 9.219 2.817 ( 1.920 -0.024 -1.180) 2.254 2.959 ( 2.630 0.794 4.877) 5.597 3.064 ( 2.619 1.770 -5.228) 6.110 3.284 ( 1.405 -3.804 11.301) 12.007 3.377 ( -0.814 -2.901 1.217) 3.250 4.034 ( -6.470 1.408 0.416) 6.635 4.058 ( -5.429 0.934 -1.552) 5.723 4.311 ( 2.909 0.429 3.256) 4.387 4.438 ( 3.582 -1.517 -8.123) 9.007 5.367 ( -1.106 -2.673 9.514) 9.944 5.657 ( -3.654 -1.785 -17.083) 17.560 12.505 ( 1.016 0.163 0.865) 1.344 12.521 ( 1.038 -0.298 -0.718) 1.297 13.878 ( 0.573 0.940 1.443) 1.815 13.908 ( 0.559 0.633 -1.540) 1.757 17.498 ( -2.409 -0.305 2.580) 3.542 17.533 ( -1.138 -0.307 -1.035) 1.568 17.632 ( 1.350 -0.028 1.495) 2.015 17.675 ( 0.339 -0.671 -2.392) 2.507 18.846 ( -0.866 -1.523 0.397) 1.796 18.863 ( -1.277 -2.521 -1.285) 3.105 27.205 ( -0.215 0.133 0.260) 0.363 27.212 ( -0.216 0.170 -0.457) 0.534 31.470 ( 3.797 -2.439 4.984) 6.723 31.564 ( 2.472 -2.816 -4.007) 5.486 31.914 ( 4.576 1.473 2.796) 5.561 31.966 ( 2.872 2.661 -1.698) 4.267 33.281 ( -3.749 1.692 10.996) 11.740 33.510 ( -3.417 -2.174 -11.788) 12.464 ======================= Grid point 366 (112/144) ======================= q-point: ( 0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 11.400 -5.575 6.249) 14.146 1.628 ( 10.276 -3.356 -4.978) 11.901 1.831 ( 5.233 -7.441 2.189) 9.357 1.888 ( 0.680 -6.723 -3.173) 7.465 2.444 ( -1.580 3.135 6.648) 7.518 2.545 ( 1.201 2.330 -3.325) 4.235 2.869 ( 3.839 -5.183 2.599) 6.954 2.876 ( 4.649 -2.686 2.152) 5.784 2.984 ( 1.602 -0.597 3.579) 3.966 3.064 ( 1.480 2.004 -4.059) 4.763 3.375 ( 1.625 -6.029 11.490) 13.077 3.430 ( 1.379 -5.384 4.821) 7.357 3.926 ( -6.462 1.682 1.463) 6.836 3.967 ( -5.473 1.729 -1.280) 5.881 4.352 ( 2.769 -0.971 1.684) 3.383 4.500 ( 3.147 -1.146 -11.377) 11.860 5.385 ( -1.448 -2.231 8.130) 8.554 5.619 ( -4.537 -0.286 -13.174) 13.936 12.514 ( 0.807 0.229 1.243) 1.499 12.537 ( 0.830 -0.142 -0.951) 1.270 13.876 ( 0.768 0.540 1.524) 1.790 13.909 ( 0.746 0.410 -1.729) 1.927 17.477 ( -1.671 -0.367 2.595) 3.109 17.521 ( -1.131 -0.188 -1.799) 2.133 17.647 ( 0.761 -0.051 1.595) 1.768 17.683 ( 0.086 -0.039 -1.745) 1.748 18.858 ( -0.641 -1.511 0.512) 1.719 18.881 ( -1.248 -2.113 -1.710) 2.991 27.199 ( -0.298 0.276 0.180) 0.444 27.205 ( -0.328 0.343 -0.445) 0.651 31.536 ( 2.263 -1.154 4.322) 5.013 31.619 ( 1.239 -1.213 -3.732) 4.115 31.927 ( 2.846 2.413 3.789) 5.317 31.992 ( 3.556 0.771 -2.352) 4.333 33.225 ( -2.462 0.289 13.803) 14.024 33.511 ( -1.866 -2.589 -14.460) 14.808 ======================= Grid point 367 (113/144) ======================= q-point: ( 0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 4.669 1.591 2.333) 5.456 1.699 ( 2.045 1.986 -1.661) 3.300 1.980 ( 1.674 -7.358 0.302) 7.552 2.015 ( 3.008 -9.104 -2.065) 9.808 2.425 ( 3.965 1.863 8.343) 9.423 2.538 ( 3.779 3.155 -3.305) 5.930 2.936 ( 0.123 -0.762 3.708) 3.788 2.950 ( 3.165 -0.476 2.143) 3.852 3.023 ( 0.790 -1.226 -1.533) 2.116 3.039 ( -1.149 1.801 -2.700) 3.443 3.490 ( 1.148 -7.658 11.146) 13.572 3.564 ( 3.045 -7.197 4.375) 8.956 3.838 ( -3.310 1.105 3.408) 4.878 3.882 ( -3.578 1.420 0.813) 3.934 4.402 ( 2.356 -1.225 0.820) 2.779 4.552 ( 2.521 -1.060 -13.143) 13.424 5.396 ( -0.918 -1.663 5.204) 5.540 5.553 ( -4.347 1.331 -9.038) 10.117 12.519 ( 0.470 0.195 1.501) 1.585 12.546 ( 0.484 -0.035 -1.131) 1.231 13.881 ( 0.675 0.165 1.532) 1.683 13.915 ( 0.655 0.139 -1.796) 1.917 17.465 ( -0.920 -0.226 2.191) 2.387 17.511 ( -0.757 -0.084 -2.256) 2.381 17.654 ( 0.320 -0.053 1.437) 1.474 17.679 ( -0.240 0.416 -0.878) 1.000 18.871 ( -0.223 -1.076 0.290) 1.137 18.890 ( -1.047 -1.234 -1.515) 2.216 27.191 ( -0.238 0.253 0.023) 0.348 27.196 ( -0.309 0.368 -0.408) 0.631 31.566 ( 1.131 -0.296 3.257) 3.461 31.631 ( 0.089 0.457 -3.105) 3.139 31.938 ( 1.879 0.185 3.800) 4.243 32.010 ( 1.536 1.385 -3.185) 3.797 33.208 ( -0.850 -0.553 16.008) 16.040 33.527 ( -0.710 -1.835 -15.581) 15.704 ======================= Grid point 368 (114/144) ======================= q-point: ( 0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.143 2.196 2.724) 3.501 1.695 ( 0.407 0.912 -2.797) 2.970 2.086 ( 0.484 -4.131 2.031) 4.629 2.140 ( 1.216 -3.408 -2.420) 4.353 2.472 ( 3.787 0.126 7.094) 8.042 2.555 ( 3.274 1.343 -1.574) 3.873 2.924 ( -1.623 -0.406 3.170) 3.585 2.978 ( -0.583 1.911 1.947) 2.790 2.987 ( 0.116 0.050 -1.139) 1.146 3.033 ( -0.183 0.199 -2.683) 2.697 3.588 ( 0.194 -3.809 7.637) 8.537 3.648 ( -0.539 -2.185 1.299) 2.598 3.814 ( 0.143 0.593 5.948) 5.980 3.854 ( 0.065 -0.574 4.321) 4.360 4.438 ( 0.958 -0.487 1.432) 1.790 4.589 ( 1.105 -0.570 -13.739) 13.796 5.418 ( 0.794 -1.755 0.838) 2.101 5.478 ( -2.984 2.032 -4.735) 5.954 12.521 ( 0.150 0.075 1.621) 1.630 12.550 ( 0.154 -0.002 -1.232) 1.242 13.886 ( 0.271 0.015 1.522) 1.546 13.920 ( 0.262 0.016 -1.802) 1.821 17.459 ( -0.289 -0.065 1.914) 1.937 17.505 ( -0.255 -0.022 -2.483) 2.496 17.659 ( 0.221 -0.250 0.913) 0.972 17.668 ( -0.313 0.477 0.043) 0.572 18.882 ( 0.211 -0.421 -0.228) 0.524 18.889 ( -0.661 -0.350 -0.944) 1.204 27.187 ( -0.061 0.058 -0.162) 0.182 27.188 ( -0.154 0.200 -0.319) 0.407 31.578 ( 0.446 -0.083 2.148) 2.196 31.620 ( -0.219 0.473 -1.987) 2.054 31.966 ( 1.132 -1.171 1.328) 2.101 31.996 ( -0.189 1.625 -1.573) 2.269 33.210 ( -0.121 -0.328 16.884) 16.887 33.540 ( -0.172 -0.625 -15.745) 15.758 ======================= Grid point 375 (115/144) ======================= q-point: ( 0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 31.395 -0.000 4.047) 31.654 1.256 ( 11.442 -0.000 5.870) 12.860 1.356 ( 20.294 -0.000 3.629) 20.616 1.531 ( 0.095 -0.000 -7.590) 7.591 2.576 ( -1.687 0.000 13.194) 13.302 2.638 ( -4.385 0.000 -0.372) 4.401 2.652 ( -1.546 0.000 3.767) 4.072 2.807 ( -2.699 0.000 -3.986) 4.813 2.978 ( 2.650 -0.000 5.070) 5.721 3.087 ( 2.319 -0.000 -5.521) 5.989 3.236 ( 1.720 -0.000 9.495) 9.649 3.330 ( 0.099 -0.000 -1.407) 1.411 4.065 ( -5.434 0.000 -0.816) 5.495 4.068 ( -4.212 0.000 -1.834) 4.594 4.357 ( 2.210 -0.000 1.970) 2.961 4.376 ( 3.040 -0.000 -0.591) 3.097 5.312 ( -2.000 0.000 8.491) 8.723 5.606 ( -4.800 0.000 -18.183) 18.806 12.510 ( 1.295 -0.000 0.325) 1.336 12.515 ( 1.292 -0.000 -0.226) 1.312 13.897 ( 0.437 -0.000 1.107) 1.190 13.920 ( 0.485 -0.000 -1.111) 1.212 17.493 ( -2.620 0.000 2.659) 3.732 17.528 ( -0.862 0.000 -0.876) 1.229 17.637 ( 1.431 -0.000 -0.235) 1.450 17.652 ( 0.189 -0.000 -1.530) 1.542 18.819 ( -0.522 0.000 0.222) 0.567 18.824 ( -0.900 0.000 -0.320) 0.955 27.207 ( -0.095 0.000 0.288) 0.303 27.215 ( -0.114 0.000 -0.486) 0.499 31.438 ( 6.660 -0.000 4.840) 8.233 31.524 ( 4.881 -0.000 -3.415) 5.957 31.932 ( 5.942 -0.000 4.501) 7.454 32.039 ( 4.080 -0.000 -5.913) 7.184 33.309 ( -5.857 0.000 7.747) 9.712 33.457 ( -6.628 0.000 -6.831) 9.518 ======================= Grid point 376 (116/144) ======================= q-point: ( 0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 6.411 -4.350 8.784) 11.713 1.503 ( 7.289 -3.068 -5.382) 9.566 1.711 ( 26.280 -2.177 1.286) 26.401 1.749 ( 22.637 -3.212 -2.064) 22.957 2.519 ( -4.505 2.672 6.073) 8.020 2.574 ( -2.697 1.035 -0.657) 2.963 2.671 ( -0.705 -5.798 8.098) 9.985 2.788 ( -2.656 -3.195 -2.134) 4.671 3.000 ( 1.433 0.827 4.895) 5.167 3.103 ( 0.647 0.562 -5.251) 5.320 3.275 ( 2.915 -1.390 9.724) 10.246 3.341 ( 0.198 -1.292 1.475) 1.971 3.978 ( -5.919 1.638 -0.082) 6.142 4.016 ( -3.514 1.047 -4.054) 5.466 4.353 ( 1.515 1.781 3.883) 4.533 4.443 ( 2.045 -2.980 -4.659) 5.897 5.295 ( -3.648 -2.759 7.350) 8.657 5.547 ( -7.446 -2.896 -15.261) 17.226 12.523 ( 1.110 0.316 0.685) 1.342 12.534 ( 1.301 -0.088 -0.398) 1.364 13.898 ( 0.661 0.713 1.249) 1.583 13.924 ( 0.697 0.410 -1.286) 1.519 17.467 ( -1.754 -0.278 3.306) 3.753 17.518 ( -0.773 -0.050 -1.733) 1.898 17.647 ( 0.769 0.213 0.021) 0.798 17.665 ( 0.134 -0.951 -1.659) 1.917 18.823 ( -0.029 -0.740 -0.214) 0.771 18.825 ( -0.096 -1.318 -0.367) 1.372 27.204 ( -0.179 0.104 0.263) 0.334 27.212 ( -0.204 0.117 -0.472) 0.527 31.531 ( 7.293 0.269 4.145) 8.393 31.597 ( 5.358 -0.492 -2.024) 5.749 32.014 ( 7.536 1.333 2.420) 8.027 32.068 ( 5.094 4.450 -2.911) 7.364 33.222 ( -6.847 -0.096 8.566) 10.967 33.396 ( -6.660 -4.050 -8.732) 11.705 ======================= Grid point 377 (117/144) ======================= q-point: ( 0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 6.543 -8.832 5.917) 12.483 1.657 ( 4.237 -7.775 -5.486) 10.416 1.958 ( 14.648 6.717 -0.205) 16.116 1.969 ( 14.564 6.359 -0.645) 15.904 2.448 ( -0.878 0.247 7.828) 7.881 2.560 ( 0.341 -1.068 -3.270) 3.457 2.799 ( 1.814 -9.418 4.200) 10.471 2.841 ( -0.049 -6.922 0.301) 6.928 2.988 ( -1.273 0.950 4.571) 4.839 3.083 ( -2.081 1.153 -4.725) 5.290 3.339 ( 2.167 -2.554 10.479) 11.002 3.394 ( 3.455 -4.001 4.222) 6.765 3.880 ( -4.899 1.703 1.703) 5.459 3.944 ( -3.149 2.662 -3.452) 5.378 4.362 ( 1.066 -0.788 3.408) 3.657 4.504 ( 1.400 -2.470 -9.301) 9.725 5.295 ( -4.465 -4.609 6.079) 8.839 5.496 ( -8.516 -4.321 -11.836) 15.208 12.529 ( 0.672 0.442 1.184) 1.432 12.548 ( 0.964 0.128 -0.723) 1.211 13.897 ( 0.846 0.825 1.429) 1.854 13.927 ( 0.845 0.571 -1.533) 1.841 17.456 ( -0.686 -0.404 3.087) 3.188 17.510 ( -0.395 0.031 -2.173) 2.209 17.653 ( 0.315 0.027 0.514) 0.603 17.675 ( -0.408 -0.633 -1.538) 1.713 18.840 ( 0.682 -0.957 -0.125) 1.181 18.848 ( 0.327 -1.447 -0.897) 1.734 27.199 ( -0.242 0.248 0.196) 0.398 27.206 ( -0.288 0.289 -0.457) 0.613 31.603 ( 6.412 2.037 3.690) 7.673 31.666 ( 5.312 0.769 -2.211) 5.805 32.041 ( 4.706 7.066 1.868) 8.693 32.075 ( 5.568 3.094 -1.054) 6.456 33.158 ( -5.422 -2.438 11.650) 13.079 33.401 ( -4.795 -6.597 -12.365) 14.813 ======================= Grid point 378 (118/144) ======================= q-point: ( 0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 3.226 -5.449 2.365) 6.759 1.759 ( 0.240 -0.025 -1.116) 1.142 1.980 ( 5.303 4.188 0.856) 6.811 2.030 ( 10.503 2.461 -3.423) 11.318 2.484 ( 4.484 -0.254 8.009) 9.182 2.583 ( 0.780 -0.367 -2.196) 2.359 2.883 ( -3.876 -2.637 4.155) 6.265 2.948 ( -1.549 -4.864 -2.134) 5.533 2.964 ( -1.792 -2.488 2.315) 3.842 3.022 ( -4.025 0.441 -3.228) 5.179 3.425 ( 3.081 -5.235 11.859) 13.325 3.521 ( 3.791 -5.520 2.739) 7.235 3.833 ( 0.522 0.066 3.454) 3.494 3.879 ( -0.923 2.214 0.257) 2.413 4.394 ( 0.235 -2.100 1.941) 2.869 4.548 ( 0.412 -2.111 -12.186) 12.374 5.310 ( -4.120 -5.389 3.931) 7.840 5.448 ( -8.109 -3.983 -8.344) 12.298 12.529 ( 0.271 0.428 1.550) 1.630 12.555 ( 0.593 0.295 -1.050) 1.241 13.897 ( 0.784 0.698 1.513) 1.841 13.930 ( 0.774 0.577 -1.697) 1.952 17.458 ( 0.164 -0.168 2.480) 2.491 17.507 ( 0.118 0.144 -2.302) 2.309 17.654 ( -0.106 -0.019 0.742) 0.750 17.673 ( -0.800 -0.230 -0.973) 1.281 18.865 ( 1.198 -0.717 -0.276) 1.423 18.870 ( 0.548 -0.877 -0.865) 1.348 27.192 ( -0.195 0.274 0.062) 0.342 27.197 ( -0.267 0.366 -0.423) 0.620 31.642 ( 6.098 3.680 3.180) 7.801 31.705 ( 5.494 3.593 -2.953) 7.198 31.999 ( 2.722 4.885 4.135) 6.955 32.075 ( 2.761 4.334 -3.200) 6.054 33.149 ( -3.376 -3.828 14.582) 15.449 33.442 ( -3.441 -6.258 -14.387) 16.062 ======================= Grid point 379 (119/144) ======================= q-point: ( 0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.266 4.752 2.695) 5.469 1.758 ( 1.930 3.176 -2.199) 4.319 2.045 ( 3.238 -3.951 4.032) 6.508 2.148 ( 6.282 -1.432 -5.298) 8.341 2.511 ( -0.456 2.377 5.831) 6.313 2.568 ( -3.343 1.711 -0.072) 3.756 2.849 ( -3.941 -3.807 3.491) 6.496 2.908 ( -7.032 -3.224 -2.901) 8.262 2.984 ( -0.533 -0.922 1.759) 2.056 3.011 ( -1.830 -1.258 -1.122) 2.488 3.544 ( 2.849 -5.208 9.531) 11.228 3.619 ( 1.757 -3.635 1.516) 4.313 3.855 ( 2.236 2.511 4.567) 5.671 3.879 ( 4.116 -0.036 3.530) 5.422 4.415 ( -1.648 -1.859 1.823) 3.082 4.571 ( -1.305 -1.722 -13.494) 13.666 5.347 ( -2.631 -6.222 0.335) 6.764 5.403 ( -6.625 -3.196 -4.568) 8.659 12.525 ( -0.019 0.324 1.741) 1.771 12.556 ( 0.280 0.369 -1.298) 1.378 13.895 ( 0.422 0.642 1.522) 1.705 13.929 ( 0.427 0.610 -1.782) 1.931 17.464 ( 0.791 0.179 2.006) 2.164 17.509 ( 0.636 0.246 -2.362) 2.458 17.653 ( -0.300 -0.345 0.697) 0.834 17.663 ( -0.831 -0.051 -0.214) 0.859 18.886 ( 0.751 -0.156 -0.376) 0.855 18.890 ( 1.574 -0.243 -0.712) 1.745 27.187 ( -0.045 0.129 -0.103) 0.171 27.190 ( -0.119 0.263 -0.347) 0.452 31.658 ( 5.811 4.943 2.549) 8.044 31.710 ( 6.158 5.928 -2.575) 8.927 31.982 ( 1.473 1.356 2.652) 3.323 32.035 ( 0.467 3.909 -2.468) 4.646 33.166 ( -2.427 -3.445 16.022) 16.567 33.481 ( -2.884 -4.793 -15.087) 16.090 ======================= Grid point 380 (120/144) ======================= q-point: (-0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 2.295 3.062 3.258) 5.025 1.736 ( 2.167 3.358 -3.405) 5.251 2.125 ( 2.233 -1.028 3.556) 4.323 2.201 ( 3.158 3.064 -2.785) 5.207 2.407 ( -8.551 1.987 3.706) 9.529 2.443 ( -10.944 -0.188 -0.324) 10.951 2.897 ( -0.317 -3.806 3.113) 4.928 2.920 ( -1.652 -5.301 0.670) 5.593 2.968 ( -1.600 0.643 1.546) 2.316 3.003 ( -2.198 -1.901 -2.891) 4.099 3.623 ( 1.419 -0.845 8.884) 9.036 3.675 ( 0.986 -0.990 2.955) 3.268 3.851 ( 3.634 2.742 5.010) 6.770 3.905 ( 3.680 3.178 2.711) 5.567 4.404 ( -3.378 -1.214 1.515) 3.896 4.559 ( -3.374 -0.775 -13.851) 14.277 5.376 ( -4.213 -2.959 -0.065) 5.149 5.420 ( -1.056 -7.263 -4.126) 8.419 12.520 ( -0.241 0.209 1.785) 1.813 12.552 ( 0.002 0.400 -1.423) 1.478 13.888 ( -0.074 0.658 1.500) 1.639 13.923 ( -0.057 0.655 -1.834) 1.949 17.473 ( 1.350 0.386 1.844) 2.318 17.517 ( 1.127 0.321 -2.327) 2.606 17.653 ( -0.763 -0.214 0.748) 1.090 17.659 ( -0.335 -0.697 0.154) 0.789 18.895 ( 1.010 0.524 0.280) 1.172 18.911 ( 1.826 0.318 -1.323) 2.277 27.187 ( 0.086 -0.002 -0.180) 0.200 27.188 ( 0.156 -0.092 -0.281) 0.334 31.651 ( 4.951 5.652 2.789) 8.015 31.705 ( 6.459 5.981 -2.511) 9.154 31.984 ( -0.602 3.006 0.142) 3.069 31.990 ( 0.698 -0.051 -0.521) 0.872 33.179 ( -2.193 -2.621 16.537) 16.886 33.504 ( -2.568 -3.409 -15.505) 16.082 ======================= Grid point 381 (121/144) ======================= q-point: (-0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -0.635 3.661 2.405) 4.427 1.707 ( 0.374 3.643 -3.307) 4.934 2.075 ( -1.546 7.659 2.772) 8.291 2.130 ( -0.394 9.337 -1.672) 9.494 2.320 ( -4.198 -5.006 5.985) 8.860 2.399 ( -5.276 -7.291 -2.772) 9.417 2.897 ( -4.699 -1.414 3.956) 6.303 2.920 ( -2.309 1.351 2.207) 3.468 2.987 ( -0.715 -3.778 -1.146) 4.012 3.005 ( -2.494 -1.304 -2.765) 3.946 3.580 ( -1.477 6.155 11.096) 12.775 3.624 ( -3.188 6.011 6.803) 9.622 3.899 ( 6.908 0.173 2.197) 7.252 3.938 ( 6.421 0.412 0.476) 6.451 4.366 ( -4.090 -0.418 0.421) 4.132 4.514 ( -4.319 -0.204 -13.434) 14.113 5.377 ( -2.254 -2.867 4.331) 5.662 5.518 ( -0.005 -7.115 -8.363) 10.981 12.513 ( -0.435 0.139 1.696) 1.756 12.545 ( -0.272 0.449 -1.417) 1.511 13.876 ( -0.439 0.543 1.473) 1.630 13.910 ( -0.428 0.541 -1.874) 1.997 17.488 ( 1.910 0.463 1.935) 2.758 17.529 ( 1.549 0.372 -2.054) 2.599 17.645 ( -0.911 -0.194 1.461) 1.732 17.666 ( -0.541 -1.004 -0.527) 1.256 18.897 ( 1.202 1.115 0.867) 1.855 18.926 ( 1.916 1.008 -1.951) 2.914 27.191 ( 0.258 -0.204 -0.026) 0.330 27.195 ( 0.300 -0.342 -0.352) 0.575 31.628 ( 3.864 5.651 3.873) 7.865 31.703 ( 5.537 5.431 -3.472) 8.498 31.935 ( -1.267 2.321 2.743) 3.810 31.990 ( -0.731 0.424 -2.709) 2.838 33.189 ( -1.552 -2.401 16.294) 16.543 33.514 ( -1.994 -2.332 -15.821) 16.116 ======================= Grid point 382 (122/144) ======================= q-point: (-0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -6.527 9.426 4.843) 12.446 1.607 ( -5.231 7.596 -5.573) 10.776 1.928 ( -1.602 9.875 4.856) 11.121 2.011 ( 1.528 7.870 -3.315) 8.675 2.397 ( 2.047 -6.310 4.582) 8.062 2.465 ( -0.554 -6.488 -2.339) 6.919 2.829 ( -5.897 0.671 3.425) 6.853 2.859 ( -4.503 2.192 1.170) 5.143 2.956 ( -4.238 0.964 2.026) 4.795 3.009 ( -1.906 -1.924 -2.984) 4.030 3.450 ( -2.293 7.473 11.604) 13.992 3.497 ( -1.127 5.890 6.983) 9.205 4.001 ( 7.677 -0.775 1.270) 7.820 4.035 ( 7.330 -0.577 -0.779) 7.393 4.314 ( -4.231 0.056 0.545) 4.267 4.459 ( -4.453 0.024 -12.218) 13.005 5.390 ( -1.109 -1.731 7.740) 8.008 5.613 ( 0.561 -5.500 -12.546) 13.710 12.504 ( -0.563 0.135 1.473) 1.583 12.533 ( -0.494 0.540 -1.290) 1.483 13.864 ( -0.510 0.145 1.462) 1.555 13.899 ( -0.513 0.157 -1.872) 1.948 17.509 ( 2.390 0.473 2.063) 3.192 17.544 ( 1.661 0.491 -1.454) 2.261 17.633 ( -1.356 -0.096 2.050) 2.460 17.671 ( -0.818 -0.878 -1.433) 1.869 18.893 ( 1.173 1.589 1.193) 2.308 18.930 ( 1.715 1.821 -2.379) 3.452 27.199 ( 0.301 -0.293 0.132) 0.440 27.204 ( 0.304 -0.396 -0.391) 0.634 31.586 ( 2.035 5.895 5.045) 8.022 31.685 ( 3.653 5.840 -4.616) 8.292 31.889 ( -1.857 1.020 3.828) 4.375 31.956 ( -2.599 1.104 -2.669) 3.886 33.215 ( -0.100 -3.012 14.890) 15.192 33.523 ( -0.803 -1.575 -15.474) 15.575 ======================= Grid point 383 (123/144) ======================= q-point: (-0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -7.557 14.293 6.450) 17.406 1.368 ( -7.365 13.454 -6.455) 16.641 1.746 ( -1.418 13.257 9.089) 16.136 1.904 ( 1.202 10.759 -6.220) 12.485 2.523 ( 2.707 -5.954 2.276) 6.926 2.555 ( 2.202 -4.591 -0.859) 5.164 2.741 ( -4.512 4.458 4.419) 7.731 2.764 ( -3.480 -1.264 1.778) 4.107 2.912 ( -2.519 -0.897 4.739) 5.442 3.007 ( -1.754 -1.634 -4.597) 5.185 3.338 ( -0.770 5.489 12.060) 13.273 3.431 ( 0.364 3.457 3.151) 4.692 4.105 ( 6.517 -0.608 0.907) 6.608 4.125 ( 5.562 -0.071 -0.677) 5.604 4.260 ( -4.382 -0.288 1.766) 4.734 4.401 ( -3.841 0.370 -10.464) 11.153 5.392 ( -0.368 0.207 9.841) 9.850 5.679 ( 0.706 -2.552 -16.587) 16.797 12.495 ( -0.482 0.163 1.145) 1.253 12.518 ( -0.478 0.624 -1.057) 1.317 13.861 ( -0.315 -0.478 1.475) 1.583 13.895 ( -0.316 -0.372 -1.780) 1.846 17.534 ( 2.333 0.404 1.603) 2.860 17.555 ( 1.188 0.648 -0.594) 1.478 17.613 ( -1.789 0.046 2.814) 3.335 17.671 ( -0.593 -0.415 -2.441) 2.546 18.882 ( 0.767 1.817 1.140) 2.278 18.917 ( 1.094 2.550 -2.359) 3.642 27.206 ( 0.180 -0.200 0.225) 0.351 27.212 ( 0.166 -0.263 -0.409) 0.514 31.509 ( -0.216 6.386 5.722) 8.577 31.624 ( 0.938 6.815 -5.450) 8.777 31.860 ( -1.929 -0.164 3.523) 4.020 31.915 ( -1.855 -0.449 -1.457) 2.401 33.270 ( 0.951 -3.747 12.755) 13.328 33.540 ( 0.499 -1.104 -13.999) 14.052 ======================= Grid point 384 (124/144) ======================= q-point: (-0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -0.000 16.563 7.444) 18.159 1.093 ( -0.000 15.607 -6.866) 17.051 1.535 ( -0.000 14.303 12.855) 19.231 1.749 ( -0.000 11.237 -7.284) 13.391 2.609 ( 0.000 -4.141 1.839) 4.531 2.645 ( 0.000 -3.803 -1.679) 4.157 2.648 ( -0.000 3.495 11.062) 11.601 2.780 ( 0.000 -3.285 -2.424) 4.083 2.912 ( 0.000 -1.278 5.230) 5.384 3.016 ( 0.000 -1.412 -5.007) 5.203 3.268 ( -0.000 3.898 11.885) 12.508 3.391 ( -0.000 2.958 -0.457) 2.994 4.158 ( -0.000 0.098 0.588) 0.596 4.169 ( -0.000 0.311 -0.470) 0.564 4.231 ( 0.000 -1.775 3.558) 3.976 4.363 ( -0.000 1.008 -7.704) 7.770 5.374 ( -0.000 1.879 10.416) 10.584 5.697 ( -0.000 0.697 -19.421) 19.433 12.490 ( -0.000 0.114 0.805) 0.813 12.506 ( -0.000 0.559 -0.761) 0.944 13.870 ( 0.000 -0.995 1.438) 1.749 13.901 ( 0.000 -0.684 -1.555) 1.699 17.546 ( -0.000 0.337 0.508) 0.609 17.558 ( -0.000 0.496 -0.634) 0.804 17.595 ( 0.000 -0.010 4.098) 4.098 17.668 ( -0.000 0.411 -2.990) 3.019 18.862 ( -0.000 1.695 0.760) 1.858 18.887 ( -0.000 2.694 -1.683) 3.177 27.208 ( 0.000 -0.036 0.263) 0.266 27.216 ( 0.000 -0.086 -0.441) 0.449 31.419 ( -0.000 5.202 5.653) 7.682 31.535 ( -0.000 5.664 -5.672) 8.016 31.848 ( 0.000 -0.246 4.590) 4.596 31.928 ( 0.000 -2.624 -2.825) 3.856 33.332 ( 0.000 -3.510 10.831) 11.385 33.558 ( 0.000 -0.364 -11.649) 11.654 ======================= Grid point 387 (125/144) ======================= q-point: ( 0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 4.996 -0.000 6.487) 8.188 1.522 ( 2.958 -0.000 -7.048) 7.643 2.088 ( 29.750 -0.000 1.093) 29.770 2.103 ( 28.003 -0.000 -0.361) 28.006 2.506 ( -5.053 0.000 2.753) 5.754 2.527 ( -1.717 0.000 5.209) 5.484 2.584 ( -3.719 0.000 5.147) 6.350 2.694 ( -5.931 0.000 -1.992) 6.257 3.009 ( -1.075 0.000 4.586) 4.710 3.101 ( -1.574 0.000 -4.423) 4.695 3.311 ( 3.784 -0.000 8.556) 9.356 3.338 ( 0.363 -0.000 3.870) 3.887 3.915 ( -5.984 0.000 0.774) 6.034 3.990 ( -2.154 0.000 -7.240) 7.554 4.400 ( 1.068 -0.000 1.686) 1.996 4.413 ( -0.212 0.000 -0.434) 0.483 5.212 ( -5.453 0.000 4.483) 7.059 5.411 ( -9.661 0.000 -12.590) 15.870 12.537 ( 0.659 -0.000 0.914) 1.127 12.550 ( 1.231 -0.000 -0.417) 1.300 13.912 ( 0.704 -0.000 1.174) 1.369 13.937 ( 0.810 -0.000 -1.235) 1.477 17.448 ( -0.732 0.000 3.585) 3.659 17.511 ( -0.273 0.000 -2.421) 2.437 17.655 ( -0.030 0.000 -0.570) 0.571 17.660 ( 0.418 -0.000 -1.098) 1.175 18.823 ( 1.046 -0.000 -0.124) 1.054 18.827 ( 1.264 -0.000 -0.576) 1.389 27.203 ( -0.204 0.000 0.247) 0.321 27.210 ( -0.234 0.000 -0.462) 0.518 31.639 ( 8.240 -0.000 2.768) 8.693 31.669 ( 6.081 -0.000 -0.102) 6.082 32.136 ( 9.269 -0.000 2.881) 9.707 32.193 ( 7.781 -0.000 -3.238) 8.428 33.117 ( -8.558 0.000 6.889) 10.986 33.262 ( -7.959 0.000 -7.556) 10.975 ======================= Grid point 388 (126/144) ======================= q-point: ( 0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 4.054 -6.294 3.786) 8.390 1.597 ( 2.263 -5.184 -6.336) 8.493 2.286 ( 7.548 12.630 1.673) 14.808 2.301 ( 13.323 11.543 0.177) 17.629 2.458 ( 5.421 -0.982 7.272) 9.123 2.547 ( 1.482 -0.937 -1.758) 2.483 2.669 ( 3.325 -11.906 2.839) 12.684 2.706 ( -1.125 -9.251 -0.237) 9.322 2.968 ( -4.227 1.029 4.517) 6.272 3.056 ( -4.516 1.246 -4.106) 6.229 3.341 ( 1.060 -0.875 8.904) 9.009 3.384 ( 2.424 -3.503 5.402) 6.880 3.842 ( -3.427 0.539 2.915) 4.531 3.951 ( -1.396 2.030 -7.301) 7.705 4.367 ( -0.387 1.267 3.808) 4.032 4.464 ( -0.385 -4.013 -4.734) 6.218 5.165 ( -5.782 -3.533 2.431) 7.199 5.314 ( -9.511 -3.765 -10.015) 14.315 12.541 ( 0.231 0.293 1.434) 1.481 12.563 ( 0.879 0.173 -0.803) 1.203 13.918 ( 0.793 0.548 1.293) 1.613 13.945 ( 0.890 0.368 -1.404) 1.702 17.448 ( 0.236 -0.348 3.355) 3.382 17.511 ( 0.274 0.060 -2.630) 2.645 17.655 ( -0.119 -0.120 -0.250) 0.302 17.664 ( -0.201 -0.103 -1.134) 1.156 18.845 ( 1.647 -0.496 -0.106) 1.723 18.851 ( 1.965 -0.350 -0.806) 2.153 27.199 ( -0.243 0.145 0.205) 0.350 27.205 ( -0.280 0.171 -0.447) 0.554 31.727 ( 7.599 1.810 2.191) 8.113 31.751 ( 6.450 0.126 0.055) 6.451 32.216 ( 7.257 5.737 1.792) 9.423 32.242 ( 8.513 7.090 -1.006) 11.125 33.028 ( -7.841 -3.289 8.830) 12.259 33.221 ( -6.704 -7.386 -10.259) 14.309 ======================= Grid point 389 (127/144) ======================= q-point: ( 0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.131 -8.185 1.583) 8.338 1.698 ( -0.111 -6.266 -4.212) 7.551 2.150 ( 0.458 9.632 6.092) 11.406 2.255 ( 5.735 8.631 -4.123) 11.153 2.542 ( 4.147 -1.470 4.841) 6.542 2.591 ( 3.379 -0.679 -0.302) 3.460 2.781 ( -5.791 -0.766 2.880) 6.513 2.821 ( -4.827 -3.421 -0.877) 5.981 2.916 ( -0.506 -2.389 2.534) 3.519 2.978 ( -1.836 -0.448 -2.531) 3.159 3.394 ( 1.386 -4.446 10.864) 11.820 3.473 ( 0.550 -5.998 3.214) 6.827 3.847 ( 3.394 -1.421 3.805) 5.293 3.921 ( 2.200 2.144 -2.274) 3.822 4.360 ( -1.288 -1.253 3.176) 3.649 4.503 ( -1.591 -3.153 -9.193) 9.848 5.162 ( -5.338 -5.969 1.141) 8.088 5.267 ( -8.187 -5.434 -7.582) 12.411 12.537 ( -0.037 0.412 1.855) 1.900 12.568 ( 0.545 0.391 -1.246) 1.415 13.918 ( 0.759 0.812 1.430) 1.811 13.949 ( 0.827 0.659 -1.612) 1.928 17.461 ( 0.908 -0.377 2.808) 2.975 17.516 ( 0.756 0.173 -2.406) 2.527 17.653 ( -0.262 0.086 -0.173) 0.326 17.658 ( -0.747 -0.089 -0.757) 1.068 18.875 ( 1.746 -0.463 -0.067) 1.808 18.883 ( 2.164 -0.231 -0.890) 2.351 27.193 ( -0.207 0.211 0.112) 0.316 27.199 ( -0.252 0.283 -0.421) 0.566 31.790 ( 7.788 3.287 2.357) 8.776 31.825 ( 6.838 1.277 -0.909) 7.015 32.161 ( 4.719 10.736 2.771) 12.050 32.218 ( 5.077 9.182 -2.436) 10.772 33.018 ( -5.203 -6.571 12.297) 14.882 33.272 ( -5.112 -9.526 -12.736) 16.706 ======================= Grid point 390 (128/144) ======================= q-point: ( 0.45 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -2.183 -4.082 2.020) 5.050 1.763 ( -0.985 -3.623 -3.941) 5.443 2.068 ( 0.448 2.278 8.656) 8.962 2.229 ( 1.191 1.944 -7.062) 7.421 2.538 ( -2.724 7.638 3.653) 8.894 2.579 ( -5.679 6.373 -0.013) 8.536 2.722 ( -3.248 -7.665 1.606) 8.478 2.740 ( -6.797 -6.513 -0.977) 9.464 2.966 ( 1.751 -0.763 2.143) 2.871 3.000 ( 1.917 0.840 0.204) 2.103 3.492 ( 1.283 -6.566 10.269) 12.256 3.562 ( -0.319 -6.321 2.621) 6.850 3.923 ( 4.693 0.521 3.894) 6.120 3.957 ( 6.602 0.783 1.621) 6.843 4.355 ( -3.130 -1.690 2.321) 4.247 4.510 ( -3.429 -2.393 -11.813) 12.531 5.194 ( -4.820 -7.650 -0.541) 9.058 5.252 ( -6.147 -5.457 -5.218) 9.736 12.529 ( -0.173 0.417 2.084) 2.132 12.567 ( 0.300 0.540 -1.590) 1.705 13.913 ( 0.490 1.000 1.498) 1.867 13.947 ( 0.548 0.932 -1.774) 2.077 17.480 ( 1.390 -0.104 2.226) 2.627 17.525 ( 1.153 0.237 -2.114) 2.420 17.646 ( -0.503 0.128 -0.013) 0.519 17.650 ( -0.830 -0.213 -0.303) 0.909 18.900 ( 1.598 -0.075 0.180) 1.610 18.913 ( 2.200 -0.080 -1.055) 2.441 27.189 ( -0.087 0.130 -0.012) 0.157 27.192 ( -0.119 0.246 -0.371) 0.461 31.831 ( 7.931 5.380 3.081) 10.067 31.891 ( 8.374 3.425 -2.716) 9.446 32.068 ( 2.874 8.557 3.112) 9.548 32.131 ( 1.697 8.421 -2.839) 9.048 33.055 ( -3.826 -6.184 14.132) 15.893 33.338 ( -4.553 -8.230 -13.737) 16.648 ======================= Grid point 391 (129/144) ======================= q-point: (-0.45 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 0.256 -0.605 2.494) 2.579 1.772 ( -1.834 -0.480 -3.232) 3.747 2.089 ( -1.068 -4.749 7.097) 8.606 2.214 ( -5.372 -3.506 -4.659) 7.929 2.346 ( -5.039 8.205 2.407) 9.925 2.382 ( -7.540 6.367 -0.676) 9.891 2.786 ( -3.319 -6.453 2.022) 7.533 2.832 ( 0.384 -6.844 -1.386) 6.994 2.975 ( 0.760 1.584 1.253) 2.159 2.997 ( 2.365 2.756 0.924) 3.747 3.594 ( 0.574 -5.065 10.229) 11.429 3.637 ( -0.663 -4.536 4.271) 6.265 3.956 ( 5.269 2.930 4.336) 7.427 4.014 ( 5.517 2.955 1.277) 6.388 4.328 ( -4.475 -1.688 1.713) 5.080 4.484 ( -5.139 -1.819 -12.958) 14.059 5.238 ( -5.205 -7.018 -0.992) 8.793 5.281 ( -2.882 -7.652 -4.450) 9.309 12.521 ( -0.243 0.387 2.138) 2.186 12.561 ( 0.101 0.641 -1.775) 1.890 13.902 ( 0.098 1.159 1.496) 1.896 13.936 ( 0.149 1.161 -1.884) 2.218 17.500 ( 1.862 0.194 1.842) 2.626 17.539 ( 1.530 0.239 -1.922) 2.469 17.637 ( -0.948 -0.211 0.487) 1.086 17.644 ( -0.658 -0.365 -0.164) 0.770 18.918 ( 1.470 0.362 0.691) 1.664 18.940 ( 2.061 0.112 -1.482) 2.541 27.188 ( 0.057 -0.060 -0.104) 0.133 27.190 ( 0.075 0.042 -0.304) 0.316 31.836 ( 7.412 7.829 4.335) 11.620 31.926 ( 9.483 8.861 -4.296) 13.671 32.012 ( 0.881 2.127 1.346) 2.667 32.041 ( 0.387 5.850 -1.274) 6.000 33.086 ( -3.626 -4.918 15.119) 16.307 33.386 ( -4.259 -6.618 -14.444) 16.449 ======================= Grid point 392 (130/144) ======================= q-point: (-0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -1.832 3.532 1.377) 4.211 1.737 ( -3.381 0.519 -2.812) 4.428 2.106 ( -3.805 0.514 6.565) 7.606 2.187 ( -5.023 -1.303 0.373) 5.202 2.249 ( 0.316 0.618 1.201) 1.387 2.282 ( 1.832 -1.167 -2.862) 3.593 2.794 ( -5.197 -2.798 4.754) 7.578 2.892 ( -3.660 -3.168 -4.804) 6.820 2.951 ( 1.402 2.581 2.911) 4.135 2.995 ( 1.303 1.426 -1.446) 2.412 3.615 ( -1.653 1.737 11.724) 11.966 3.641 ( -2.609 1.645 7.419) 8.034 4.000 ( 6.503 1.016 2.259) 6.958 4.046 ( 6.791 2.051 0.263) 7.099 4.292 ( -4.715 -1.536 0.552) 4.990 4.437 ( -5.568 -1.535 -12.875) 14.111 5.273 ( -3.367 -6.003 1.948) 7.153 5.377 ( -2.011 -9.761 -7.056) 12.211 12.512 ( -0.278 0.376 2.038) 2.091 12.551 ( -0.071 0.735 -1.792) 1.938 13.884 ( -0.183 1.152 1.445) 1.857 13.919 ( -0.155 1.187 -1.951) 2.289 17.522 ( 2.314 0.354 1.718) 2.904 17.557 ( 1.880 0.304 -1.687) 2.544 17.627 ( -1.325 -0.282 1.110) 1.751 17.642 ( -1.026 -0.797 -0.365) 1.350 18.928 ( 1.251 0.776 1.223) 1.914 18.961 ( 1.713 0.462 -2.019) 2.687 27.191 ( 0.170 -0.199 -0.074) 0.272 27.193 ( 0.198 -0.288 -0.285) 0.451 31.802 ( 5.887 8.972 5.268) 11.954 31.895 ( 6.289 8.591 -3.284) 11.142 31.972 ( -0.042 4.638 0.881) 4.721 32.004 ( 0.792 2.214 -2.697) 3.579 33.108 ( -2.878 -4.522 15.649) 16.541 33.421 ( -3.342 -5.474 -15.168) 16.468 ======================= Grid point 393 (131/144) ======================= q-point: (-0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -3.116 8.030 3.319) 9.231 1.656 ( -3.256 5.210 -4.657) 7.709 2.033 ( -0.225 6.189 5.721) 8.431 2.112 ( -0.209 4.502 -1.795) 4.851 2.335 ( 2.544 -6.569 2.660) 7.530 2.379 ( 2.120 -6.744 -1.882) 7.316 2.748 ( -5.093 -0.608 5.406) 7.452 2.844 ( -3.186 1.994 -3.297) 5.000 2.923 ( -1.864 1.749 2.702) 3.719 2.984 ( -0.192 0.682 -3.070) 3.151 3.521 ( -1.952 6.526 11.910) 13.720 3.559 ( -1.294 4.915 8.878) 10.230 4.089 ( 6.970 -0.707 1.264) 7.119 4.126 ( 6.535 0.200 -0.461) 6.554 4.246 ( -5.158 -0.872 0.289) 5.240 4.389 ( -4.751 -1.286 -12.560) 13.490 5.321 ( -1.547 -5.033 5.288) 7.463 5.497 ( -0.927 -9.574 -10.383) 14.154 12.503 ( -0.232 0.383 1.802) 1.857 12.539 ( -0.154 0.820 -1.651) 1.850 13.867 ( -0.207 0.846 1.387) 1.638 13.902 ( -0.205 0.873 -1.965) 2.160 17.548 ( 2.504 0.466 1.605) 3.011 17.575 ( 1.662 0.672 -1.101) 2.104 17.610 ( -1.829 -0.222 1.834) 2.600 17.641 ( -1.191 -1.307 -1.023) 2.042 18.927 ( 0.773 1.213 1.572) 2.131 18.969 ( 1.038 1.033 -2.500) 2.897 27.197 ( 0.163 -0.323 0.048) 0.365 27.201 ( 0.163 -0.442 -0.317) 0.568 31.734 ( 3.228 9.165 6.251) 11.554 31.853 ( 5.030 8.292 -4.897) 10.865 31.903 ( -1.034 3.764 2.398) 4.581 31.954 ( -2.110 3.091 -2.837) 4.696 33.148 ( -1.124 -4.841 15.232) 16.022 33.460 ( -1.552 -4.552 -15.490) 16.219 ======================= Grid point 394 (132/144) ======================= q-point: (-0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -0.000 13.373 5.203) 14.349 1.512 ( -0.000 11.563 -5.871) 12.969 1.911 ( -0.000 10.644 7.868) 13.236 2.043 ( -0.000 6.897 -5.278) 8.685 2.451 ( 0.000 -6.645 2.272) 7.023 2.493 ( 0.000 -6.596 -1.913) 6.868 2.714 ( 0.000 -0.556 4.853) 4.884 2.775 ( -0.000 4.080 -0.065) 4.081 2.888 ( -0.000 0.384 4.664) 4.680 2.980 ( 0.000 -0.609 -4.320) 4.362 3.416 ( -0.000 6.347 12.240) 13.788 3.486 ( -0.000 4.227 6.354) 7.631 4.164 ( -0.000 0.355 0.824) 0.897 4.180 ( -0.000 0.496 -0.724) 0.877 4.193 ( 0.000 -1.521 1.714) 2.292 4.367 ( 0.000 -0.694 -12.495) 12.515 5.369 ( 0.000 -2.853 8.208) 8.690 5.612 ( 0.000 -7.048 -13.901) 15.586 12.496 ( -0.000 0.346 1.475) 1.515 12.525 ( -0.000 0.819 -1.385) 1.610 13.857 ( -0.000 0.247 1.397) 1.418 13.892 ( -0.000 0.260 -1.913) 1.931 17.562 ( -0.000 0.759 0.624) 0.983 17.576 ( -0.000 0.808 -0.807) 1.142 17.594 ( 0.000 -0.244 3.785) 3.793 17.653 ( 0.000 -1.314 -1.980) 2.376 18.912 ( -0.000 1.622 1.576) 2.262 18.956 ( -0.000 1.809 -2.725) 3.271 27.203 ( 0.000 -0.309 0.156) 0.346 27.209 ( 0.000 -0.400 -0.356) 0.536 31.624 ( -0.000 8.883 6.455) 10.981 31.756 ( -0.000 9.577 -6.523) 11.587 31.859 ( -0.000 1.568 3.209) 3.571 31.905 ( -0.000 1.069 -1.280) 1.668 33.212 ( 0.000 -4.814 14.082) 14.882 33.508 ( 0.000 -3.314 -15.111) 15.470 ======================= Grid point 399 (133/144) ======================= q-point: ( 0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 1.979 -0.000 2.305) 3.038 1.581 ( 0.905 -0.000 -6.715) 6.775 2.383 ( -2.929 0.000 5.982) 6.661 2.436 ( -5.906 0.000 6.764) 8.980 2.490 ( -0.818 0.000 -3.671) 3.761 2.507 ( -7.752 0.000 -0.314) 7.758 2.731 ( 18.220 -0.000 2.180) 18.350 2.764 ( 19.386 -0.000 -1.186) 19.422 2.899 ( -8.099 0.000 4.909) 9.471 2.994 ( -7.202 0.000 -4.415) 8.447 3.332 ( -0.993 0.000 7.338) 7.405 3.358 ( -1.780 0.000 6.936) 7.161 3.827 ( 1.647 -0.000 4.575) 4.863 3.959 ( 0.700 -0.000 -8.218) 8.248 4.378 ( -2.101 0.000 1.823) 2.782 4.409 ( -0.369 0.000 0.114) 0.386 5.068 ( -5.120 0.000 -0.831) 5.187 5.173 ( -7.726 0.000 -8.949) 11.823 12.543 ( -0.105 0.000 1.883) 1.885 12.574 ( 0.629 -0.000 -1.184) 1.341 13.931 ( 0.758 -0.000 1.294) 1.499 13.959 ( 0.913 -0.000 -1.449) 1.713 17.453 ( 0.915 -0.000 3.322) 3.445 17.518 ( 0.784 -0.000 -2.859) 2.965 17.650 ( -0.342 0.000 -0.109) 0.359 17.662 ( -0.203 0.000 -1.215) 1.232 18.867 ( 2.133 -0.000 0.180) 2.141 18.879 ( 2.462 -0.000 -1.043) 2.674 27.197 ( -0.264 0.000 0.201) 0.332 27.203 ( -0.293 0.000 -0.434) 0.524 31.831 ( 6.456 -0.000 1.438) 6.614 31.838 ( 7.208 -0.000 0.685) 7.240 32.378 ( 8.988 -0.000 3.302) 9.575 32.418 ( 9.184 -0.000 -0.958) 9.234 32.888 ( -9.065 0.000 7.186) 11.567 33.064 ( -7.231 0.000 -10.192) 12.497 ======================= Grid point 400 (134/144) ======================= q-point: ( 0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -1.364 -4.739 1.494) 5.152 1.612 ( -1.209 -4.178 -6.274) 7.634 2.236 ( -4.740 7.688 7.627) 11.821 2.341 ( -5.385 5.301 -2.617) 7.997 2.468 ( -4.629 -8.393 4.482) 10.581 2.534 ( -4.106 -6.563 -2.830) 8.242 2.743 ( -10.248 3.361 4.286) 11.605 2.810 ( -4.652 7.463 -1.827) 8.982 2.954 ( 9.566 -0.577 2.391) 9.877 2.991 ( 9.320 -1.154 -1.488) 9.509 3.332 ( -1.531 -3.188 8.574) 9.274 3.371 ( -2.348 -5.533 4.711) 7.637 3.893 ( 6.852 -1.024 4.510) 8.267 3.985 ( 4.537 0.669 -3.896) 6.018 4.337 ( -1.806 0.825 3.310) 3.860 4.430 ( -2.084 -3.112 -3.617) 5.207 5.031 ( -4.271 -3.144 -2.113) 5.709 5.113 ( -5.693 -3.298 -8.050) 10.397 12.539 ( -0.238 0.222 2.273) 2.296 12.579 ( 0.398 0.256 -1.632) 1.700 13.937 ( 0.695 0.522 1.395) 1.644 13.968 ( 0.838 0.437 -1.613) 1.869 17.470 ( 1.267 -0.342 3.052) 3.322 17.530 ( 1.116 0.085 -2.640) 2.868 17.645 ( -0.546 -0.083 -0.103) 0.562 17.656 ( -0.378 0.330 -1.061) 1.174 18.896 ( 2.011 -0.144 0.371) 2.050 18.911 ( 2.334 -0.055 -1.150) 2.602 27.192 ( -0.232 0.096 0.157) 0.296 27.198 ( -0.257 0.137 -0.418) 0.509 31.912 ( 6.787 0.447 1.490) 6.963 31.922 ( 6.768 0.795 0.637) 6.844 32.387 ( 5.554 10.732 3.016) 12.455 32.445 ( 6.121 10.792 -2.292) 12.617 32.841 ( -5.929 -7.760 9.968) 13.955 33.062 ( -5.367 -9.694 -11.616) 16.054 ======================= Grid point 401 (135/144) ======================= q-point: ( 0.45 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -4.072 -6.689 1.875) 8.052 1.658 ( -3.361 -6.113 -6.234) 9.355 2.087 ( -4.516 4.346 8.749) 10.762 2.211 ( -6.391 2.447 -3.400) 7.642 2.460 ( -13.791 -3.227 3.801) 14.665 2.506 ( -13.517 -2.501 -0.675) 13.763 2.640 ( -0.130 -2.391 1.631) 2.897 2.695 ( 4.244 2.752 -3.544) 6.176 3.043 ( 6.531 2.578 3.810) 7.988 3.083 ( 6.936 2.769 -0.188) 7.471 3.392 ( -0.983 -7.192 9.184) 11.707 3.439 ( -2.072 -7.790 3.680) 8.861 3.997 ( 6.684 -0.134 4.419) 8.014 4.053 ( 6.560 0.493 -0.090) 6.579 4.303 ( -2.760 0.089 2.546) 3.756 4.429 ( -3.793 -1.968 -7.040) 8.236 5.041 ( -3.853 -5.353 -2.141) 6.934 5.110 ( -4.066 -4.920 -7.147) 9.582 12.532 ( -0.242 0.345 2.494) 2.529 12.578 ( 0.238 0.481 -1.982) 2.053 13.934 ( 0.489 0.980 1.491) 1.850 13.968 ( 0.600 0.909 -1.792) 2.097 17.493 ( 1.415 -0.504 2.634) 3.032 17.544 ( 1.316 0.142 -2.157) 2.530 17.637 ( -0.770 0.006 -0.122) 0.780 17.645 ( -0.394 0.415 -0.793) 0.979 18.921 ( 1.626 -0.071 0.593) 1.732 18.939 ( 1.992 -0.089 -1.253) 2.355 27.189 ( -0.136 0.083 0.080) 0.178 27.193 ( -0.147 0.163 -0.392) 0.449 31.981 ( 6.727 2.423 2.008) 7.426 31.998 ( 6.120 0.296 0.715) 6.169 32.275 ( 3.347 11.927 1.294) 12.455 32.321 ( 3.225 12.830 -2.655) 13.493 32.906 ( -3.260 -7.833 11.579) 14.354 33.147 ( -4.430 -10.025 -12.022) 16.268 ======================= Grid point 402 (136/144) ======================= q-point: (-0.45 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -5.785 -7.465 1.612) 9.581 1.680 ( -5.944 -4.914 -5.130) 9.263 2.019 ( -1.748 -1.027 8.119) 8.369 2.124 ( -3.515 -0.486 -2.115) 4.131 2.304 ( -10.456 0.374 4.251) 11.293 2.363 ( -8.145 0.965 -1.119) 8.278 2.704 ( 0.666 -3.423 0.911) 3.604 2.761 ( 2.151 -3.421 -4.194) 5.825 3.062 ( 4.579 4.361 3.380) 7.170 3.102 ( 4.874 5.036 -0.432) 7.022 3.497 ( -0.533 -8.357 9.966) 13.017 3.531 ( -1.568 -8.103 4.910) 9.604 4.054 ( 4.531 2.024 5.133) 7.140 4.116 ( 5.131 1.650 0.786) 5.447 4.263 ( -3.215 -0.044 1.204) 3.434 4.392 ( -5.053 -1.148 -9.271) 10.621 5.080 ( -3.377 -6.674 -1.733) 7.678 5.146 ( -2.627 -6.197 -6.573) 9.408 12.524 ( -0.194 0.411 2.535) 2.575 12.572 ( 0.116 0.660 -2.159) 2.260 13.922 ( 0.193 1.349 1.526) 2.046 13.957 ( 0.269 1.334 -1.934) 2.365 17.520 ( 1.547 -0.571 2.176) 2.731 17.560 ( 1.442 0.049 -1.636) 2.181 17.625 ( -0.914 0.153 0.149) 0.938 17.635 ( -0.524 0.235 -0.700) 0.906 18.939 ( 1.198 0.095 0.939) 1.525 18.964 ( 1.542 -0.126 -1.503) 2.157 27.187 ( -0.021 -0.048 0.005) 0.053 27.191 ( -0.009 0.053 -0.352) 0.356 32.011 ( 5.160 4.365 3.704) 7.707 32.051 ( 3.354 1.577 0.804) 3.793 32.145 ( 1.170 10.293 0.640) 10.379 32.213 ( 6.577 10.776 -4.682) 13.465 32.960 ( -3.347 -5.927 12.939) 14.621 33.222 ( -4.075 -8.431 -12.727) 15.800 ======================= Grid point 403 (137/144) ======================= q-point: (-0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -5.920 -5.454 0.389) 8.059 1.659 ( -4.367 -2.680 -2.818) 5.847 2.061 ( 2.146 -2.795 7.588) 8.366 2.151 ( 2.968 -2.395 -1.015) 3.947 2.210 ( -5.100 -2.070 3.766) 6.669 2.275 ( -4.798 -0.382 -1.863) 5.161 2.730 ( -0.869 -0.516 3.054) 3.217 2.817 ( -0.644 -2.891 -5.453) 6.206 3.040 ( 2.427 5.359 1.793) 6.150 3.070 ( 2.126 5.501 -1.024) 5.986 3.585 ( -0.676 -4.069 11.655) 12.363 3.603 ( -1.271 -3.680 6.894) 7.918 4.075 ( 2.978 0.726 4.364) 5.333 4.150 ( 4.816 1.594 0.441) 5.092 4.227 ( -2.585 -0.024 -0.101) 2.587 4.342 ( -5.055 -1.334 -10.632) 11.848 5.142 ( -2.053 -6.992 -0.487) 7.304 5.221 ( -1.444 -8.343 -6.784) 10.850 12.516 ( -0.123 0.455 2.410) 2.456 12.562 ( 0.019 0.803 -2.146) 2.291 13.902 ( -0.011 1.503 1.491) 2.117 13.938 ( 0.023 1.544 -2.015) 2.539 17.549 ( 1.703 -0.621 1.832) 2.577 17.580 ( 1.503 -0.252 -1.119) 1.891 17.609 ( -1.187 0.303 0.516) 1.330 17.623 ( -0.967 0.168 -0.742) 1.230 18.948 ( 0.691 0.338 1.320) 1.528 18.981 ( 0.901 -0.016 -1.869) 2.075 27.189 ( 0.047 -0.221 -0.043) 0.230 27.192 ( 0.064 -0.155 -0.299) 0.343 31.989 ( 3.185 6.120 4.501) 8.237 32.023 ( 0.676 7.838 3.722) 8.703 32.034 ( 0.219 4.293 -1.027) 4.420 32.159 ( 5.446 9.646 -7.282) 13.256 33.000 ( -2.344 -5.472 14.492) 15.667 33.289 ( -2.526 -7.361 -13.883) 15.915 ======================= Grid point 404 (138/144) ======================= q-point: (-0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -0.000 1.106 1.230) 1.654 1.659 ( 0.000 -0.868 -2.856) 2.985 2.085 ( -0.000 1.286 6.356) 6.485 2.162 ( -0.000 3.554 -0.319) 3.568 2.256 ( 0.000 -6.881 2.755) 7.412 2.303 ( 0.000 -6.375 -1.937) 6.663 2.716 ( -0.000 0.525 5.145) 5.172 2.832 ( 0.000 -0.449 -6.226) 6.242 2.973 ( -0.000 5.525 2.156) 5.931 3.016 ( -0.000 3.578 -2.131) 4.164 3.582 ( -0.000 3.282 12.077) 12.515 3.601 ( -0.000 2.037 9.177) 9.401 4.123 ( 0.000 -2.987 2.923) 4.179 4.179 ( -0.000 0.679 1.009) 1.216 4.198 ( -0.000 0.804 -0.893) 1.202 4.323 ( 0.000 -2.053 -12.821) 12.985 5.225 ( 0.000 -6.596 2.052) 6.908 5.345 ( 0.000 -10.249 -8.123) 13.078 12.508 ( -0.000 0.467 2.146) 2.197 12.550 ( -0.000 0.883 -1.961) 2.151 13.882 ( -0.000 1.333 1.416) 1.945 13.917 ( -0.000 1.395 -2.021) 2.456 17.579 ( 0.000 -0.908 2.162) 2.345 17.586 ( -0.000 0.838 0.652) 1.062 17.602 ( -0.000 0.927 -0.915) 1.302 17.610 ( 0.000 -1.359 -0.912) 1.637 18.946 ( -0.000 0.722 1.578) 1.735 18.985 ( -0.000 0.360 -2.247) 2.276 27.194 ( 0.000 -0.307 -0.032) 0.309 27.196 ( 0.000 -0.374 -0.272) 0.463 31.896 ( -0.000 9.879 7.406) 12.346 31.947 ( -0.000 4.232 1.534) 4.502 31.972 ( -0.000 3.631 -1.167) 3.814 32.049 ( -0.000 10.613 -7.582) 13.043 33.064 ( 0.000 -5.577 15.216) 16.206 33.370 ( 0.000 -6.338 -14.911) 16.202 ======================= Grid point 411 (139/144) ======================= q-point: ( 0.36 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -3.530 0.000 1.671) 3.906 1.556 ( -2.899 0.000 -7.098) 7.667 2.262 ( -9.843 0.000 4.809) 10.955 2.263 ( -7.147 0.000 4.383) 8.383 2.316 ( -5.708 0.000 0.956) 5.788 2.375 ( -10.038 0.000 -3.636) 10.676 2.618 ( -9.650 0.000 7.738) 12.369 2.780 ( -5.495 0.000 -8.036) 9.735 3.080 ( 9.128 -0.000 4.388) 10.128 3.131 ( 8.988 -0.000 0.701) 9.015 3.286 ( -1.908 0.000 8.155) 8.375 3.309 ( -0.183 0.000 3.623) 3.627 3.989 ( 8.588 -0.000 4.031) 9.487 4.058 ( 6.143 -0.000 -2.381) 6.588 4.323 ( -2.024 0.000 2.770) 3.431 4.381 ( -1.753 0.000 -0.410) 1.800 4.965 ( -2.961 0.000 -4.354) 5.266 5.031 ( -3.656 0.000 -8.622) 9.365 12.537 ( -0.279 0.000 2.629) 2.644 12.585 ( 0.256 -0.000 -2.042) 2.058 13.949 ( 0.600 -0.000 1.441) 1.561 13.981 ( 0.752 -0.000 -1.705) 1.864 17.484 ( 1.316 -0.000 3.126) 3.391 17.546 ( 1.262 -0.000 -2.707) 2.986 17.638 ( -0.607 0.000 0.100) 0.615 17.653 ( -0.443 0.000 -1.243) 1.320 18.919 ( 1.698 -0.000 0.639) 1.814 18.938 ( 1.929 -0.000 -1.268) 2.308 27.190 ( -0.207 0.000 0.167) 0.266 27.196 ( -0.225 0.000 -0.412) 0.470 31.997 ( 6.400 -0.000 2.353) 6.819 32.015 ( 6.779 -0.000 0.410) 6.791 32.553 ( 3.364 -0.000 2.136) 3.985 32.596 ( -1.287 0.000 -1.642) 2.086 32.697 ( -0.372 0.000 9.340) 9.347 32.914 ( -3.470 0.000 -11.598) 12.106 ======================= Grid point 412 (140/144) ======================= q-point: ( 0.45 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -5.794 -3.873 2.294) 7.337 1.531 ( -5.112 -3.527 -7.420) 9.676 2.075 ( -7.478 3.750 5.738) 10.145 2.153 ( -8.495 1.941 -2.005) 8.942 2.245 ( -9.600 -2.921 4.567) 11.025 2.299 ( -9.249 -4.192 -0.936) 10.198 2.569 ( -1.975 -4.110 7.432) 8.719 2.743 ( 0.144 -0.378 -9.155) 9.164 3.160 ( 5.672 1.994 4.735) 7.653 3.212 ( 5.996 1.538 1.286) 6.322 3.294 ( -1.056 -3.686 8.574) 9.392 3.334 ( -0.670 -3.436 3.035) 4.633 4.091 ( 7.117 0.644 3.731) 8.062 4.137 ( 5.837 0.138 -0.257) 5.844 4.285 ( -2.042 1.352 2.659) 3.615 4.366 ( -2.698 -1.058 -1.801) 3.412 4.949 ( -2.216 -2.313 -4.627) 5.628 5.014 ( -2.360 -2.829 -8.679) 9.428 12.533 ( -0.215 0.182 2.832) 2.845 12.585 ( 0.153 0.270 -2.342) 2.362 13.952 ( 0.412 0.610 1.514) 1.683 13.986 ( 0.525 0.568 -1.836) 1.992 17.503 ( 1.123 -0.406 3.025) 3.252 17.562 ( 1.250 0.040 -2.515) 2.809 17.629 ( -0.724 0.069 0.197) 0.753 17.645 ( -0.396 0.284 -1.232) 1.325 18.938 ( 1.170 -0.067 0.827) 1.435 18.960 ( 1.364 -0.102 -1.334) 1.910 27.188 ( -0.131 0.034 0.137) 0.193 27.193 ( -0.140 0.069 -0.401) 0.430 32.072 ( 5.367 0.602 3.063) 6.209 32.095 ( 6.755 1.195 0.886) 6.916 32.435 ( -3.418 8.825 2.759) 9.858 32.507 ( -0.118 8.179 -4.096) 9.148 32.786 ( 1.363 -5.383 7.904) 9.660 32.967 ( -1.715 -8.431 -9.724) 12.984 ======================= Grid point 413 (141/144) ======================= q-point: (-0.45 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -5.466 -6.528 2.491) 8.871 1.524 ( -5.304 -5.263 -6.791) 10.097 2.001 ( -0.581 -1.145 5.877) 6.016 2.079 ( -1.948 -1.810 -2.040) 3.352 2.157 ( -7.872 -1.349 6.759) 10.463 2.245 ( -5.900 -2.025 -1.271) 6.366 2.640 ( 0.016 -6.008 4.091) 7.268 2.772 ( 1.444 -1.058 -7.710) 7.915 3.176 ( 3.246 3.818 3.502) 6.114 3.234 ( 3.688 4.644 -2.021) 6.265 3.363 ( -0.963 -8.029 9.934) 12.809 3.397 ( -1.057 -7.461 6.291) 9.816 4.138 ( 3.586 2.750 5.452) 7.081 4.190 ( 3.388 0.973 0.989) 3.661 4.242 ( -1.511 0.935 0.351) 1.811 4.334 ( -2.972 0.206 -4.242) 5.184 4.972 ( -1.406 -4.288 -3.659) 5.810 5.044 ( -1.274 -4.595 -8.319) 9.588 12.527 ( -0.111 0.319 2.855) 2.875 12.581 ( 0.070 0.511 -2.463) 2.516 13.943 ( 0.166 1.169 1.560) 1.956 13.978 ( 0.222 1.135 -1.954) 2.270 17.524 ( 0.747 -0.832 2.764) 2.981 17.577 ( 1.064 -0.035 -2.228) 2.469 17.617 ( -0.751 0.216 0.442) 0.898 17.636 ( -0.258 0.467 -1.211) 1.323 18.951 ( 0.611 -0.074 1.029) 1.199 18.976 ( 0.749 -0.238 -1.459) 1.658 27.186 ( -0.044 -0.016 0.089) 0.100 27.191 ( -0.041 0.047 -0.385) 0.390 32.099 ( 2.199 2.747 3.618) 5.047 32.144 ( 5.132 3.296 0.455) 6.116 32.275 ( -2.575 7.929 4.356) 9.406 32.410 ( 2.584 7.586 -7.600) 11.045 32.854 ( -0.937 -4.378 10.048) 11.001 33.062 ( -1.817 -8.146 -10.249) 13.217 ======================= Grid point 414 (142/144) ======================= q-point: (-0.36 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 -7.331 1.896) 7.572 1.562 ( 0.000 -5.369 -5.288) 7.535 2.075 ( 0.000 -5.677 3.956) 6.920 2.090 ( -0.000 0.218 9.718) 9.720 2.137 ( 0.000 -5.235 -2.162) 5.663 2.213 ( 0.000 -0.013 -1.600) 1.600 2.710 ( 0.000 -3.177 1.688) 3.598 2.792 ( 0.000 -0.670 -4.996) 5.041 3.134 ( -0.000 5.092 2.018) 5.478 3.177 ( -0.000 6.467 -2.160) 6.819 3.485 ( 0.000 -8.936 10.171) 13.539 3.506 ( 0.000 -8.184 7.340) 10.993 4.113 ( -0.000 2.775 6.465) 7.036 4.201 ( -0.000 0.790 1.193) 1.431 4.223 ( -0.000 0.880 -1.025) 1.351 4.301 ( -0.000 0.664 -7.502) 7.531 5.035 ( 0.000 -6.003 -2.259) 6.414 5.111 ( 0.000 -6.118 -7.582) 9.742 12.521 ( -0.000 0.417 2.705) 2.737 12.573 ( -0.000 0.702 -2.389) 2.490 13.924 ( -0.000 1.507 1.549) 2.161 13.961 ( -0.000 1.512 -2.020) 2.523 17.544 ( 0.000 -1.243 2.374) 2.680 17.588 ( 0.000 -0.331 -1.928) 1.956 17.605 ( -0.000 0.514 0.833) 0.979 17.626 ( -0.000 0.711 -1.162) 1.362 18.955 ( -0.000 0.037 1.225) 1.226 18.984 ( 0.000 -0.251 -1.656) 1.675 27.187 ( 0.000 -0.129 0.029) 0.132 27.191 ( 0.000 -0.042 -0.353) 0.355 32.062 ( -0.000 3.850 2.549) 4.617 32.112 ( -0.000 5.616 -2.347) 6.086 32.152 ( -0.000 7.730 8.277) 11.326 32.325 ( -0.000 8.341 -8.620) 11.995 32.909 ( 0.000 -4.976 12.765) 13.701 33.162 ( 0.000 -7.983 -12.095) 14.492 ======================= Grid point 423 (143/144) ======================= q-point: ( 0.45 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -5.279 0.000 3.020) 6.082 1.439 ( -4.792 0.000 -7.863) 9.208 1.985 ( -7.247 0.000 4.466) 8.513 2.052 ( -6.464 0.000 -1.887) 6.734 2.170 ( -3.422 0.000 2.870) 4.466 2.186 ( -3.122 0.000 0.606) 3.180 2.516 ( -0.672 0.000 9.806) 9.829 2.729 ( -0.235 0.000 -11.012) 11.014 3.229 ( 3.005 -0.000 5.872) 6.597 3.260 ( 1.856 -0.000 7.464) 7.691 3.264 ( -0.419 0.000 7.868) 7.879 3.325 ( 0.914 -0.000 -2.763) 2.910 4.181 ( 5.358 -0.000 2.248) 5.811 4.204 ( 4.261 -0.000 0.621) 4.306 4.275 ( -1.870 0.000 2.429) 3.065 4.325 ( -2.360 0.000 1.088) 2.599 4.912 ( -1.093 0.000 -6.012) 6.110 4.971 ( -1.116 0.000 -9.412) 9.478 12.532 ( -0.120 0.000 3.019) 3.022 12.589 ( 0.074 -0.000 -2.570) 2.571 13.960 ( 0.233 -0.000 1.547) 1.565 13.995 ( 0.298 -0.000 -1.889) 1.913 17.511 ( 0.637 -0.000 3.224) 3.286 17.576 ( 0.933 -0.000 -2.954) 3.098 17.620 ( -0.640 0.000 0.633) 0.900 17.643 ( -0.267 0.000 -1.400) 1.425 18.949 ( 0.587 -0.000 0.942) 1.110 18.972 ( 0.675 -0.000 -1.359) 1.517 27.187 ( -0.073 0.000 0.151) 0.168 27.192 ( -0.080 0.000 -0.400) 0.408 32.141 ( 3.936 -0.000 5.083) 6.428 32.194 ( 7.166 -0.000 0.407) 7.178 32.409 ( -8.102 0.000 4.720) 9.377 32.536 ( -2.561 0.000 -7.129) 7.575 32.795 ( 2.744 -0.000 3.996) 4.847 32.902 ( 0.968 -0.000 -6.386) 6.459 ======================= Grid point 424 (144/144) ======================= q-point: (-0.45 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 -3.718 3.182) 4.894 1.427 ( 0.000 -3.044 -7.583) 8.171 1.955 ( 0.000 -2.373 4.506) 5.092 2.026 ( 0.000 -2.216 -2.463) 3.313 2.123 ( -0.000 2.094 5.763) 6.132 2.186 ( 0.000 -1.571 -0.619) 1.688 2.554 ( 0.000 -5.264 8.067) 9.632 2.750 ( 0.000 -2.562 -10.670) 10.974 3.241 ( -0.000 2.088 3.453) 4.035 3.274 ( 0.000 -3.319 10.806) 11.304 3.303 ( 0.000 -4.287 7.936) 9.019 3.313 ( -0.000 2.629 -3.592) 4.452 4.218 ( -0.000 0.397 1.344) 1.402 4.218 ( -0.000 3.478 5.584) 6.579 4.242 ( -0.000 0.389 -1.091) 1.158 4.313 ( 0.000 -0.490 -0.201) 0.530 4.919 ( 0.000 -2.025 -5.499) 5.859 4.984 ( 0.000 -2.678 -9.282) 9.660 12.530 ( -0.000 0.171 3.027) 3.032 12.587 ( -0.000 0.272 -2.612) 2.626 13.957 ( -0.000 0.667 1.568) 1.704 13.993 ( -0.000 0.636 -1.935) 2.036 17.519 ( 0.000 -0.475 3.148) 3.184 17.583 ( 0.000 -0.051 -3.186) 3.186 17.614 ( -0.000 0.147 1.051) 1.061 17.639 ( -0.000 0.250 -1.408) 1.430 18.953 ( 0.000 -0.082 1.009) 1.012 18.977 ( 0.000 -0.166 -1.397) 1.407 27.186 ( -0.000 0.009 0.134) 0.134 27.191 ( -0.000 0.036 -0.397) 0.398 32.153 ( -0.000 2.064 5.604) 5.972 32.246 ( -0.000 2.993 -3.506) 4.609 32.308 ( -0.000 2.932 8.832) 9.306 32.494 ( -0.000 3.182 -9.315) 9.844 32.816 ( 0.000 -0.990 6.197) 6.276 32.954 ( 0.000 -5.602 -7.179) 9.106 =================== 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 3/30492 10.0 59.530 72.140 46.846 0.000 0.000 -0.000 3/30492 20.0 15.653 14.514 12.328 0.000 0.000 -0.000 3/30492 30.0 7.464 6.543 5.783 0.000 0.000 -0.000 3/30492 40.0 4.657 4.041 3.649 0.000 0.000 -0.000 3/30492 50.0 3.351 2.905 2.661 0.000 0.000 -0.000 3/30492 60.0 2.620 2.273 2.105 0.000 0.000 -0.000 3/30492 70.0 2.156 1.873 1.750 0.000 0.000 -0.000 3/30492 80.0 1.837 1.597 1.504 0.000 0.000 -0.000 3/30492 90.0 1.603 1.395 1.323 0.000 0.000 -0.000 3/30492 100.0 1.424 1.241 1.183 0.000 0.000 -0.000 3/30492 110.0 1.283 1.118 1.073 0.000 0.000 -0.000 3/30492 120.0 1.168 1.019 0.983 0.000 0.000 -0.000 3/30492 130.0 1.074 0.937 0.909 0.000 0.000 -0.000 3/30492 140.0 0.994 0.868 0.846 0.000 0.000 -0.000 3/30492 150.0 0.926 0.808 0.793 0.000 0.000 -0.000 3/30492 160.0 0.867 0.757 0.746 0.000 0.000 -0.000 3/30492 170.0 0.815 0.713 0.706 0.000 0.000 -0.000 3/30492 180.0 0.770 0.674 0.671 0.000 0.000 -0.000 3/30492 190.0 0.730 0.639 0.639 0.000 0.000 -0.000 3/30492 200.0 0.695 0.609 0.611 0.000 0.000 -0.000 3/30492 210.0 0.663 0.582 0.587 0.000 0.000 -0.000 3/30492 220.0 0.634 0.557 0.564 0.000 0.000 -0.000 3/30492 230.0 0.608 0.535 0.544 0.000 0.000 -0.000 3/30492 240.0 0.585 0.515 0.526 0.000 0.000 -0.000 3/30492 250.0 0.563 0.497 0.509 0.000 0.000 -0.000 3/30492 260.0 0.543 0.481 0.494 0.000 0.000 -0.000 3/30492 270.0 0.525 0.466 0.480 0.000 0.000 -0.000 3/30492 280.0 0.509 0.452 0.468 0.000 0.000 -0.000 3/30492 290.0 0.493 0.439 0.456 0.000 0.000 -0.000 3/30492 300.0 0.479 0.427 0.445 0.000 0.000 -0.000 3/30492 310.0 0.466 0.417 0.435 0.000 0.000 -0.000 3/30492 320.0 0.453 0.407 0.426 0.000 0.000 -0.000 3/30492 330.0 0.442 0.397 0.417 0.000 0.000 -0.000 3/30492 340.0 0.431 0.388 0.409 0.000 0.000 -0.000 3/30492 350.0 0.420 0.380 0.401 0.000 0.000 -0.000 3/30492 360.0 0.411 0.373 0.394 0.000 0.000 -0.000 3/30492 370.0 0.402 0.365 0.387 0.000 0.000 -0.000 3/30492 380.0 0.393 0.358 0.380 0.000 0.000 -0.000 3/30492 390.0 0.385 0.352 0.374 0.000 0.000 -0.000 3/30492 400.0 0.377 0.346 0.368 0.000 0.000 -0.000 3/30492 410.0 0.370 0.340 0.362 0.000 0.000 -0.000 3/30492 420.0 0.363 0.334 0.357 0.000 0.000 -0.000 3/30492 430.0 0.356 0.329 0.352 0.000 0.000 -0.000 3/30492 440.0 0.350 0.324 0.347 0.000 0.000 -0.000 3/30492 450.0 0.343 0.319 0.342 0.000 0.000 -0.000 3/30492 460.0 0.337 0.314 0.337 0.000 0.000 -0.000 3/30492 470.0 0.332 0.310 0.332 0.000 0.000 -0.000 3/30492 480.0 0.326 0.305 0.328 0.000 0.000 -0.000 3/30492 490.0 0.321 0.301 0.324 0.000 0.000 -0.000 3/30492 500.0 0.316 0.297 0.320 0.000 0.000 -0.000 3/30492 510.0 0.311 0.293 0.316 0.000 0.000 -0.000 3/30492 520.0 0.306 0.289 0.312 0.000 0.000 -0.000 3/30492 530.0 0.302 0.286 0.308 0.000 0.000 -0.000 3/30492 540.0 0.297 0.282 0.304 0.000 0.000 -0.000 3/30492 550.0 0.293 0.279 0.301 0.000 0.000 -0.000 3/30492 560.0 0.289 0.275 0.297 0.000 0.000 -0.000 3/30492 570.0 0.285 0.272 0.294 0.000 0.000 -0.000 3/30492 580.0 0.281 0.269 0.291 0.000 0.000 -0.000 3/30492 590.0 0.277 0.266 0.287 0.000 0.000 -0.000 3/30492 600.0 0.274 0.263 0.284 0.000 0.000 -0.000 3/30492 610.0 0.270 0.260 0.281 0.000 0.000 -0.000 3/30492 620.0 0.267 0.257 0.278 0.000 0.000 -0.000 3/30492 630.0 0.263 0.254 0.275 0.000 0.000 -0.000 3/30492 640.0 0.260 0.251 0.272 0.000 0.000 -0.000 3/30492 650.0 0.257 0.249 0.269 0.000 0.000 -0.000 3/30492 660.0 0.254 0.246 0.267 0.000 0.000 -0.000 3/30492 670.0 0.251 0.243 0.264 0.000 0.000 -0.000 3/30492 680.0 0.248 0.241 0.261 0.000 0.000 -0.000 3/30492 690.0 0.245 0.238 0.259 0.000 0.000 -0.000 3/30492 700.0 0.242 0.236 0.256 0.000 0.000 -0.000 3/30492 710.0 0.239 0.234 0.254 0.000 0.000 -0.000 3/30492 720.0 0.237 0.231 0.251 0.000 0.000 -0.000 3/30492 730.0 0.234 0.229 0.249 0.000 0.000 -0.000 3/30492 740.0 0.232 0.227 0.246 0.000 0.000 -0.000 3/30492 750.0 0.229 0.225 0.244 0.000 0.000 -0.000 3/30492 760.0 0.227 0.223 0.242 0.000 0.000 -0.000 3/30492 770.0 0.224 0.221 0.239 0.000 0.000 -0.000 3/30492 780.0 0.222 0.218 0.237 0.000 0.000 -0.000 3/30492 790.0 0.220 0.216 0.235 0.000 0.000 -0.000 3/30492 800.0 0.217 0.214 0.233 0.000 0.000 -0.000 3/30492 810.0 0.215 0.213 0.231 0.000 0.000 -0.000 3/30492 820.0 0.213 0.211 0.229 0.000 0.000 -0.000 3/30492 830.0 0.211 0.209 0.227 0.000 0.000 -0.000 3/30492 840.0 0.209 0.207 0.225 0.000 0.000 -0.000 3/30492 850.0 0.207 0.205 0.223 0.000 0.000 -0.000 3/30492 860.0 0.205 0.203 0.221 0.000 0.000 -0.000 3/30492 870.0 0.203 0.202 0.219 0.000 0.000 -0.000 3/30492 880.0 0.201 0.200 0.217 0.000 0.000 -0.000 3/30492 890.0 0.199 0.198 0.215 0.000 0.000 -0.000 3/30492 900.0 0.197 0.197 0.213 0.000 0.000 -0.000 3/30492 910.0 0.195 0.195 0.212 0.000 0.000 -0.000 3/30492 920.0 0.194 0.193 0.210 0.000 0.000 -0.000 3/30492 930.0 0.192 0.192 0.208 0.000 0.000 -0.000 3/30492 940.0 0.190 0.190 0.207 0.000 0.000 -0.000 3/30492 950.0 0.189 0.189 0.205 0.000 0.000 -0.000 3/30492 960.0 0.187 0.187 0.203 0.000 0.000 -0.000 3/30492 970.0 0.185 0.186 0.202 0.000 0.000 -0.000 3/30492 980.0 0.184 0.184 0.200 0.000 0.000 -0.000 3/30492 990.0 0.182 0.183 0.198 0.000 0.000 -0.000 3/30492 1000.0 0.181 0.181 0.197 0.000 0.000 -0.000 3/30492 Thermal conductivity related properties were written into "kappa-m11117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:17:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|