----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:09:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 3.492586155000000 -3.087123235000000 0.000000000000000 b 3.492586155000000 3.087123235000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.989813590000000 Atomic positions (fractional): *1 O 0.16067444337871 0.18143055399575 0.25000000000000 15.999 2 O 0.83932555662129 0.81856944600425 0.75000000000000 15.999 3 O 0.81856944600425 0.83932555662129 0.25000000000000 15.999 4 O 0.18143055399575 0.16067444337871 0.75000000000000 15.999 *5 O 0.29775706501821 0.70224293498179 0.91950840425315 15.999 6 O 0.70224293498179 0.29775706501821 0.41950840425315 15.999 7 O 0.29775706501821 0.70224293498179 0.58049159574685 15.999 8 O 0.70224293498179 0.29775706501821 0.08049159574685 15.999 *9 S 0.84707598279991 0.15292401720009 0.25000000000000 32.065 10 S 0.15292401720009 0.84707598279991 0.75000000000000 32.065 *11 Ca 0.35121615889314 0.64878384110686 0.25000000000000 40.078 12 Ca 0.64878384110686 0.35121615889314 0.75000000000000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.985172310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.174246469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.989813590000000 Atomic positions (fractional): *1 O 0.17105249868723 0.01037805530852 0.25000000000000 15.999 > 1 2 O 0.82894750131277 0.98962194469148 0.75000000000000 15.999 > 2 3 O 0.82894750131277 0.01037805530852 0.25000000000000 15.999 > 3 4 O 0.17105249868723 0.98962194469148 0.75000000000000 15.999 > 4 *5 O 0.50000000000000 0.20224293498179 0.91950840425315 15.999 > 5 6 O 0.50000000000000 0.79775706501821 0.41950840425315 15.999 > 6 7 O 0.50000000000000 0.20224293498179 0.58049159574685 15.999 > 7 8 O 0.50000000000000 0.79775706501821 0.08049159574685 15.999 > 8 9 O 0.67105249868723 0.51037805530852 0.25000000000000 15.999 > 1 10 O 0.32894750131277 0.48962194469148 0.75000000000000 15.999 > 2 11 O 0.32894750131277 0.51037805530852 0.25000000000000 15.999 > 3 12 O 0.67105249868723 0.48962194469148 0.75000000000000 15.999 > 4 13 O 0.00000000000000 0.70224293498179 0.91950840425315 15.999 > 5 14 O 0.00000000000000 0.29775706501821 0.41950840425315 15.999 > 6 15 O 0.00000000000000 0.70224293498179 0.58049159574685 15.999 > 7 16 O 0.00000000000000 0.29775706501821 0.08049159574685 15.999 > 8 *17 S 0.50000000000000 0.65292401720009 0.25000000000000 32.065 > 9 18 S 0.50000000000000 0.34707598279991 0.75000000000000 32.065 > 10 19 S 0.00000000000000 0.15292401720009 0.25000000000000 32.065 > 9 20 S 0.00000000000000 0.84707598279991 0.75000000000000 32.065 > 10 *21 Ca 0.50000000000000 0.14878384110686 0.25000000000000 40.078 > 11 22 Ca 0.50000000000000 0.85121615889314 0.75000000000000 40.078 > 12 23 Ca 0.00000000000000 0.64878384110686 0.25000000000000 40.078 > 11 24 Ca 0.00000000000000 0.35121615889314 0.75000000000000 40.078 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.970344620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.348492939999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.989813590000000 Atomic positions (fractional): *1 O 0.08552624934361 0.00518902765426 0.25000000000000 15.999 > 1 2 O 0.58552624934361 0.00518902765426 0.25000000000000 15.999 > 1 3 O 0.08552624934361 0.50518902765426 0.25000000000000 15.999 > 1 4 O 0.58552624934361 0.50518902765426 0.25000000000000 15.999 > 1 5 O 0.41447375065638 0.49481097234574 0.75000000000000 15.999 > 2 6 O 0.91447375065638 0.49481097234574 0.75000000000000 15.999 > 2 7 O 0.41447375065638 0.99481097234574 0.75000000000000 15.999 > 2 8 O 0.91447375065638 0.99481097234574 0.75000000000000 15.999 > 2 9 O 0.41447375065638 0.00518902765426 0.25000000000000 15.999 > 3 10 O 0.91447375065638 0.00518902765426 0.25000000000000 15.999 > 3 11 O 0.41447375065638 0.50518902765426 0.25000000000000 15.999 > 3 12 O 0.91447375065638 0.50518902765426 0.25000000000000 15.999 > 3 13 O 0.08552624934361 0.49481097234574 0.75000000000000 15.999 > 4 14 O 0.58552624934361 0.49481097234574 0.75000000000000 15.999 > 4 15 O 0.08552624934361 0.99481097234574 0.75000000000000 15.999 > 4 16 O 0.58552624934361 0.99481097234574 0.75000000000000 15.999 > 4 *17 O 0.25000000000000 0.10112146749089 0.91950840425315 15.999 > 5 18 O 0.75000000000000 0.10112146749089 0.91950840425315 15.999 > 5 19 O 0.25000000000000 0.60112146749089 0.91950840425315 15.999 > 5 20 O 0.75000000000000 0.60112146749089 0.91950840425315 15.999 > 5 21 O 0.25000000000000 0.39887853250911 0.41950840425315 15.999 > 6 22 O 0.75000000000000 0.39887853250911 0.41950840425315 15.999 > 6 23 O 0.25000000000000 0.89887853250911 0.41950840425315 15.999 > 6 24 O 0.75000000000000 0.89887853250911 0.41950840425315 15.999 > 6 25 O 0.25000000000000 0.10112146749089 0.58049159574685 15.999 > 7 26 O 0.75000000000000 0.10112146749089 0.58049159574685 15.999 > 7 27 O 0.25000000000000 0.60112146749089 0.58049159574685 15.999 > 7 28 O 0.75000000000000 0.60112146749089 0.58049159574685 15.999 > 7 29 O 0.25000000000000 0.39887853250911 0.08049159574685 15.999 > 8 30 O 0.75000000000000 0.39887853250911 0.08049159574685 15.999 > 8 31 O 0.25000000000000 0.89887853250911 0.08049159574685 15.999 > 8 32 O 0.75000000000000 0.89887853250911 0.08049159574685 15.999 > 8 33 O 0.33552624934362 0.25518902765426 0.25000000000000 15.999 > 1 34 O 0.83552624934362 0.25518902765426 0.25000000000000 15.999 > 1 35 O 0.33552624934362 0.75518902765426 0.25000000000000 15.999 > 1 36 O 0.83552624934362 0.75518902765426 0.25000000000000 15.999 > 1 37 O 0.16447375065639 0.24481097234574 0.75000000000000 15.999 > 2 38 O 0.66447375065639 0.24481097234574 0.75000000000000 15.999 > 2 39 O 0.16447375065639 0.74481097234574 0.75000000000000 15.999 > 2 40 O 0.66447375065639 0.74481097234574 0.75000000000000 15.999 > 2 41 O 0.16447375065639 0.25518902765426 0.25000000000000 15.999 > 3 42 O 0.66447375065639 0.25518902765426 0.25000000000000 15.999 > 3 43 O 0.16447375065639 0.75518902765426 0.25000000000000 15.999 > 3 44 O 0.66447375065639 0.75518902765426 0.25000000000000 15.999 > 3 45 O 0.33552624934362 0.24481097234574 0.75000000000000 15.999 > 4 46 O 0.83552624934362 0.24481097234574 0.75000000000000 15.999 > 4 47 O 0.33552624934362 0.74481097234574 0.75000000000000 15.999 > 4 48 O 0.83552624934362 0.74481097234574 0.75000000000000 15.999 > 4 49 O 0.00000000000000 0.35112146749089 0.91950840425315 15.999 > 5 50 O 0.50000000000000 0.35112146749089 0.91950840425315 15.999 > 5 51 O 0.00000000000000 0.85112146749089 0.91950840425315 15.999 > 5 52 O 0.50000000000000 0.85112146749089 0.91950840425315 15.999 > 5 53 O 0.00000000000000 0.14887853250911 0.41950840425315 15.999 > 6 54 O 0.50000000000000 0.14887853250911 0.41950840425315 15.999 > 6 55 O 0.00000000000000 0.64887853250911 0.41950840425315 15.999 > 6 56 O 0.50000000000000 0.64887853250911 0.41950840425315 15.999 > 6 57 O 0.00000000000000 0.35112146749089 0.58049159574685 15.999 > 7 58 O 0.50000000000000 0.35112146749089 0.58049159574685 15.999 > 7 59 O 0.00000000000000 0.85112146749089 0.58049159574685 15.999 > 7 60 O 0.50000000000000 0.85112146749089 0.58049159574685 15.999 > 7 61 O 0.00000000000000 0.14887853250911 0.08049159574685 15.999 > 8 62 O 0.50000000000000 0.14887853250911 0.08049159574685 15.999 > 8 63 O 0.00000000000000 0.64887853250911 0.08049159574685 15.999 > 8 64 O 0.50000000000000 0.64887853250911 0.08049159574685 15.999 > 8 *65 S 0.25000000000000 0.32646200860004 0.25000000000000 32.065 > 9 66 S 0.75000000000000 0.32646200860004 0.25000000000000 32.065 > 9 67 S 0.25000000000000 0.82646200860004 0.25000000000000 32.065 > 9 68 S 0.75000000000000 0.82646200860004 0.25000000000000 32.065 > 9 69 S 0.25000000000000 0.17353799139996 0.75000000000000 32.065 > 10 70 S 0.75000000000000 0.17353799139996 0.75000000000000 32.065 > 10 71 S 0.25000000000000 0.67353799139996 0.75000000000000 32.065 > 10 72 S 0.75000000000000 0.67353799139996 0.75000000000000 32.065 > 10 73 S 0.00000000000000 0.07646200860004 0.25000000000000 32.065 > 9 74 S 0.50000000000000 0.07646200860004 0.25000000000000 32.065 > 9 75 S 0.00000000000000 0.57646200860004 0.25000000000000 32.065 > 9 76 S 0.50000000000000 0.57646200860004 0.25000000000000 32.065 > 9 77 S 0.00000000000000 0.42353799139996 0.75000000000000 32.065 > 10 78 S 0.50000000000000 0.42353799139996 0.75000000000000 32.065 > 10 79 S 0.00000000000000 0.92353799139996 0.75000000000000 32.065 > 10 80 S 0.50000000000000 0.92353799139996 0.75000000000000 32.065 > 10 *81 Ca 0.25000000000000 0.07439192055343 0.25000000000000 40.078 > 11 82 Ca 0.75000000000000 0.07439192055343 0.25000000000000 40.078 > 11 83 Ca 0.25000000000000 0.57439192055343 0.25000000000000 40.078 > 11 84 Ca 0.75000000000000 0.57439192055343 0.25000000000000 40.078 > 11 85 Ca 0.25000000000000 0.42560807944657 0.75000000000000 40.078 > 12 86 Ca 0.75000000000000 0.42560807944657 0.75000000000000 40.078 > 12 87 Ca 0.25000000000000 0.92560807944657 0.75000000000000 40.078 > 12 88 Ca 0.75000000000000 0.92560807944657 0.75000000000000 40.078 > 12 89 Ca 0.00000000000000 0.32439192055343 0.25000000000000 40.078 > 11 90 Ca 0.50000000000000 0.32439192055343 0.25000000000000 40.078 > 11 91 Ca 0.00000000000000 0.82439192055343 0.25000000000000 40.078 > 11 92 Ca 0.50000000000000 0.82439192055343 0.25000000000000 40.078 > 11 93 Ca 0.00000000000000 0.17560807944657 0.75000000000000 40.078 > 12 94 Ca 0.50000000000000 0.17560807944657 0.75000000000000 40.078 > 12 95 Ca 0.00000000000000 0.67560807944657 0.75000000000000 40.078 > 12 96 Ca 0.50000000000000 0.67560807944657 0.75000000000000 40.078 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6643200 0.0000000 0.0000000 0.0000000 2.8923641 0.0000000 0.0000000 0.0000000 2.7009267 -------------------------- Born effective charges -------------------------- 1 O -1.9317801 0.3468349 0.0000000 0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 2 O -1.9317801 0.3468349 0.0000000 0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 3 O -1.9317801 -0.3468349 0.0000000 -0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 4 O -1.9317801 -0.3468349 0.0000000 -0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 5 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 0.4877541 0.0000000 0.5751750 -2.1341634 6 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 -0.4877541 0.0000000 -0.5751750 -2.1341634 7 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 -0.4877541 0.0000000 -0.5751750 -2.1341634 8 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 0.4877541 0.0000000 0.5751750 -2.1341634 9 S 3.2845044 0.0000000 0.0000000 0.0000000 3.7308388 0.0000000 0.0000000 0.0000000 3.4322275 10 S 3.2845044 0.0000000 0.0000000 0.0000000 3.7308388 0.0000000 0.0000000 0.0000000 3.4322275 11 Ca 2.3683408 0.0000000 0.0000000 0.0000000 2.7689334 0.0000000 0.0000000 0.0000000 2.5571223 12 Ca 2.3683408 0.0000000 0.0000000 0.0000000 2.7689334 0.0000000 0.0000000 0.0000000 2.5571223 ---------------------------------------------------------------------------- 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: 0.607 Solver_block: 200 / 240 - Time: 0.620 Solver_block: 240 / 240 - Time: 0.282 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.524 --------------------------------- 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 2026-01-07 20:09:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:10:00]------------------------- 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 3.492586155000000 -3.087123235000000 0.000000000000000 b 3.492586155000000 3.087123235000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.989813590000000 Atomic positions (fractional): 1 O 0.16067444337871 0.18143055399575 0.25000000000000 15.999 2 O 0.83932555662129 0.81856944600425 0.75000000000000 15.999 3 O 0.81856944600425 0.83932555662129 0.25000000000000 15.999 4 O 0.18143055399575 0.16067444337871 0.75000000000000 15.999 5 O 0.29775706501821 0.70224293498179 0.91950840425315 15.999 6 O 0.70224293498179 0.29775706501821 0.41950840425315 15.999 7 O 0.29775706501821 0.70224293498179 0.58049159574685 15.999 8 O 0.70224293498179 0.29775706501821 0.08049159574685 15.999 9 S 0.84707598279991 0.15292401720009 0.25000000000000 32.065 10 S 0.15292401720009 0.84707598279991 0.75000000000000 32.065 11 Ca 0.35121615889314 0.64878384110686 0.25000000000000 40.078 12 Ca 0.64878384110686 0.35121615889314 0.75000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.970344620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.348492939999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.989813590000000 Atomic positions (fractional): 1 O 0.08552624934361 0.00518902765426 0.25000000000000 15.999 > 1 2 O 0.58552624934361 0.00518902765426 0.25000000000000 15.999 > 1 3 O 0.08552624934361 0.50518902765426 0.25000000000000 15.999 > 1 4 O 0.58552624934361 0.50518902765426 0.25000000000000 15.999 > 1 5 O 0.41447375065638 0.49481097234574 0.75000000000000 15.999 > 5 6 O 0.91447375065638 0.49481097234574 0.75000000000000 15.999 > 5 7 O 0.41447375065638 0.99481097234574 0.75000000000000 15.999 > 5 8 O 0.91447375065638 0.99481097234574 0.75000000000000 15.999 > 5 9 O 0.41447375065638 0.00518902765426 0.25000000000000 15.999 > 9 10 O 0.91447375065638 0.00518902765426 0.25000000000000 15.999 > 9 11 O 0.41447375065638 0.50518902765426 0.25000000000000 15.999 > 9 12 O 0.91447375065638 0.50518902765426 0.25000000000000 15.999 > 9 13 O 0.08552624934361 0.49481097234574 0.75000000000000 15.999 > 13 14 O 0.58552624934361 0.49481097234574 0.75000000000000 15.999 > 13 15 O 0.08552624934361 0.99481097234574 0.75000000000000 15.999 > 13 16 O 0.58552624934361 0.99481097234574 0.75000000000000 15.999 > 13 17 O 0.25000000000000 0.10112146749089 0.91950840425315 15.999 > 17 18 O 0.75000000000000 0.10112146749089 0.91950840425315 15.999 > 17 19 O 0.25000000000000 0.60112146749089 0.91950840425315 15.999 > 17 20 O 0.75000000000000 0.60112146749089 0.91950840425315 15.999 > 17 21 O 0.25000000000000 0.39887853250911 0.41950840425315 15.999 > 21 22 O 0.75000000000000 0.39887853250911 0.41950840425315 15.999 > 21 23 O 0.25000000000000 0.89887853250911 0.41950840425315 15.999 > 21 24 O 0.75000000000000 0.89887853250911 0.41950840425315 15.999 > 21 25 O 0.25000000000000 0.10112146749089 0.58049159574685 15.999 > 25 26 O 0.75000000000000 0.10112146749089 0.58049159574685 15.999 > 25 27 O 0.25000000000000 0.60112146749089 0.58049159574685 15.999 > 25 28 O 0.75000000000000 0.60112146749089 0.58049159574685 15.999 > 25 29 O 0.25000000000000 0.39887853250911 0.08049159574685 15.999 > 29 30 O 0.75000000000000 0.39887853250911 0.08049159574685 15.999 > 29 31 O 0.25000000000000 0.89887853250911 0.08049159574685 15.999 > 29 32 O 0.75000000000000 0.89887853250911 0.08049159574685 15.999 > 29 33 O 0.33552624934362 0.25518902765426 0.25000000000000 15.999 > 1 34 O 0.83552624934362 0.25518902765426 0.25000000000000 15.999 > 1 35 O 0.33552624934362 0.75518902765426 0.25000000000000 15.999 > 1 36 O 0.83552624934362 0.75518902765426 0.25000000000000 15.999 > 1 37 O 0.16447375065639 0.24481097234574 0.75000000000000 15.999 > 5 38 O 0.66447375065639 0.24481097234574 0.75000000000000 15.999 > 5 39 O 0.16447375065639 0.74481097234574 0.75000000000000 15.999 > 5 40 O 0.66447375065639 0.74481097234574 0.75000000000000 15.999 > 5 41 O 0.16447375065639 0.25518902765426 0.25000000000000 15.999 > 9 42 O 0.66447375065639 0.25518902765426 0.25000000000000 15.999 > 9 43 O 0.16447375065639 0.75518902765426 0.25000000000000 15.999 > 9 44 O 0.66447375065639 0.75518902765426 0.25000000000000 15.999 > 9 45 O 0.33552624934362 0.24481097234574 0.75000000000000 15.999 > 13 46 O 0.83552624934362 0.24481097234574 0.75000000000000 15.999 > 13 47 O 0.33552624934362 0.74481097234574 0.75000000000000 15.999 > 13 48 O 0.83552624934362 0.74481097234574 0.75000000000000 15.999 > 13 49 O 0.00000000000000 0.35112146749089 0.91950840425315 15.999 > 17 50 O 0.50000000000000 0.35112146749089 0.91950840425315 15.999 > 17 51 O 0.00000000000000 0.85112146749089 0.91950840425315 15.999 > 17 52 O 0.50000000000000 0.85112146749089 0.91950840425315 15.999 > 17 53 O 0.00000000000000 0.14887853250911 0.41950840425315 15.999 > 21 54 O 0.50000000000000 0.14887853250911 0.41950840425315 15.999 > 21 55 O 0.00000000000000 0.64887853250911 0.41950840425315 15.999 > 21 56 O 0.50000000000000 0.64887853250911 0.41950840425315 15.999 > 21 57 O 0.00000000000000 0.35112146749089 0.58049159574685 15.999 > 25 58 O 0.50000000000000 0.35112146749089 0.58049159574685 15.999 > 25 59 O 0.00000000000000 0.85112146749089 0.58049159574685 15.999 > 25 60 O 0.50000000000000 0.85112146749089 0.58049159574685 15.999 > 25 61 O 0.00000000000000 0.14887853250911 0.08049159574685 15.999 > 29 62 O 0.50000000000000 0.14887853250911 0.08049159574685 15.999 > 29 63 O 0.00000000000000 0.64887853250911 0.08049159574685 15.999 > 29 64 O 0.50000000000000 0.64887853250911 0.08049159574685 15.999 > 29 65 S 0.25000000000000 0.32646200860004 0.25000000000000 32.065 > 65 66 S 0.75000000000000 0.32646200860004 0.25000000000000 32.065 > 65 67 S 0.25000000000000 0.82646200860004 0.25000000000000 32.065 > 65 68 S 0.75000000000000 0.82646200860004 0.25000000000000 32.065 > 65 69 S 0.25000000000000 0.17353799139996 0.75000000000000 32.065 > 69 70 S 0.75000000000000 0.17353799139996 0.75000000000000 32.065 > 69 71 S 0.25000000000000 0.67353799139996 0.75000000000000 32.065 > 69 72 S 0.75000000000000 0.67353799139996 0.75000000000000 32.065 > 69 73 S 0.00000000000000 0.07646200860004 0.25000000000000 32.065 > 65 74 S 0.50000000000000 0.07646200860004 0.25000000000000 32.065 > 65 75 S 0.00000000000000 0.57646200860004 0.25000000000000 32.065 > 65 76 S 0.50000000000000 0.57646200860004 0.25000000000000 32.065 > 65 77 S 0.00000000000000 0.42353799139996 0.75000000000000 32.065 > 69 78 S 0.50000000000000 0.42353799139996 0.75000000000000 32.065 > 69 79 S 0.00000000000000 0.92353799139996 0.75000000000000 32.065 > 69 80 S 0.50000000000000 0.92353799139996 0.75000000000000 32.065 > 69 81 Ca 0.25000000000000 0.07439192055343 0.25000000000000 40.078 > 81 82 Ca 0.75000000000000 0.07439192055343 0.25000000000000 40.078 > 81 83 Ca 0.25000000000000 0.57439192055343 0.25000000000000 40.078 > 81 84 Ca 0.75000000000000 0.57439192055343 0.25000000000000 40.078 > 81 85 Ca 0.25000000000000 0.42560807944657 0.75000000000000 40.078 > 85 86 Ca 0.75000000000000 0.42560807944657 0.75000000000000 40.078 > 85 87 Ca 0.25000000000000 0.92560807944657 0.75000000000000 40.078 > 85 88 Ca 0.75000000000000 0.92560807944657 0.75000000000000 40.078 > 85 89 Ca 0.00000000000000 0.32439192055343 0.25000000000000 40.078 > 81 90 Ca 0.50000000000000 0.32439192055343 0.25000000000000 40.078 > 81 91 Ca 0.00000000000000 0.82439192055343 0.25000000000000 40.078 > 81 92 Ca 0.50000000000000 0.82439192055343 0.25000000000000 40.078 > 81 93 Ca 0.00000000000000 0.17560807944657 0.75000000000000 40.078 > 85 94 Ca 0.50000000000000 0.17560807944657 0.75000000000000 40.078 > 85 95 Ca 0.00000000000000 0.67560807944657 0.75000000000000 40.078 > 85 96 Ca 0.50000000000000 0.67560807944657 0.75000000000000 40.078 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6643200 0.0000000 0.0000000 0.0000000 2.8923641 0.0000000 0.0000000 0.0000000 2.7009267 -------------------------- Born effective charges -------------------------- 1 O -1.9317801 0.3468349 0.0000000 0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 2 O -1.9317801 0.3468349 0.0000000 0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 3 O -1.9317801 -0.3468349 0.0000000 -0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 4 O -1.9317801 -0.3468349 0.0000000 -0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 5 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 0.4877541 0.0000000 0.5751750 -2.1341634 6 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 -0.4877541 0.0000000 -0.5751750 -2.1341634 7 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 -0.4877541 0.0000000 -0.5751750 -2.1341634 8 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 0.4877541 0.0000000 0.5751750 -2.1341634 9 S 3.2845044 0.0000000 0.0000000 0.0000000 3.7308388 0.0000000 0.0000000 0.0000000 3.4322275 10 S 3.2845044 0.0000000 0.0000000 0.0000000 3.7308388 0.0000000 0.0000000 0.0000000 3.4322275 11 Ca 2.3683408 0.0000000 0.0000000 0.0000000 2.7689334 0.0000000 0.0000000 0.0000000 2.5571223 12 Ca 2.3683408 0.0000000 0.0000000 0.0000000 2.7689334 0.0000000 0.0000000 0.0000000 2.5571223 ---------------------------------------------------------------------------- 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: -0.00000006 (xyx) -0.00000006 (xyx) -0.00000006 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:10:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:10:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [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 3.492586155000000 -3.087123235000000 0.000000000000000 b 3.492586155000000 3.087123235000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.989813590000000 Atomic positions (fractional): 1 O 0.16067444337871 0.18143055399575 0.25000000000000 15.999 2 O 0.83932555662129 0.81856944600425 0.75000000000000 15.999 3 O 0.81856944600425 0.83932555662129 0.25000000000000 15.999 4 O 0.18143055399575 0.16067444337871 0.75000000000000 15.999 5 O 0.29775706501821 0.70224293498179 0.91950840425315 15.999 6 O 0.70224293498179 0.29775706501821 0.41950840425315 15.999 7 O 0.29775706501821 0.70224293498179 0.58049159574685 15.999 8 O 0.70224293498179 0.29775706501821 0.08049159574685 15.999 9 S 0.84707598279991 0.15292401720009 0.25000000000000 32.065 10 S 0.15292401720009 0.84707598279991 0.75000000000000 32.065 11 Ca 0.35121615889314 0.64878384110686 0.25000000000000 40.078 12 Ca 0.64878384110686 0.35121615889314 0.75000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.970344620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.348492939999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.989813590000000 Atomic positions (fractional): 1 O 0.08552624934361 0.00518902765426 0.25000000000000 15.999 > 1 2 O 0.58552624934361 0.00518902765426 0.25000000000000 15.999 > 1 3 O 0.08552624934361 0.50518902765426 0.25000000000000 15.999 > 1 4 O 0.58552624934361 0.50518902765426 0.25000000000000 15.999 > 1 5 O 0.41447375065638 0.49481097234574 0.75000000000000 15.999 > 5 6 O 0.91447375065638 0.49481097234574 0.75000000000000 15.999 > 5 7 O 0.41447375065638 0.99481097234574 0.75000000000000 15.999 > 5 8 O 0.91447375065638 0.99481097234574 0.75000000000000 15.999 > 5 9 O 0.41447375065638 0.00518902765426 0.25000000000000 15.999 > 9 10 O 0.91447375065638 0.00518902765426 0.25000000000000 15.999 > 9 11 O 0.41447375065638 0.50518902765426 0.25000000000000 15.999 > 9 12 O 0.91447375065638 0.50518902765426 0.25000000000000 15.999 > 9 13 O 0.08552624934361 0.49481097234574 0.75000000000000 15.999 > 13 14 O 0.58552624934361 0.49481097234574 0.75000000000000 15.999 > 13 15 O 0.08552624934361 0.99481097234574 0.75000000000000 15.999 > 13 16 O 0.58552624934361 0.99481097234574 0.75000000000000 15.999 > 13 17 O 0.25000000000000 0.10112146749089 0.91950840425315 15.999 > 17 18 O 0.75000000000000 0.10112146749089 0.91950840425315 15.999 > 17 19 O 0.25000000000000 0.60112146749089 0.91950840425315 15.999 > 17 20 O 0.75000000000000 0.60112146749089 0.91950840425315 15.999 > 17 21 O 0.25000000000000 0.39887853250911 0.41950840425315 15.999 > 21 22 O 0.75000000000000 0.39887853250911 0.41950840425315 15.999 > 21 23 O 0.25000000000000 0.89887853250911 0.41950840425315 15.999 > 21 24 O 0.75000000000000 0.89887853250911 0.41950840425315 15.999 > 21 25 O 0.25000000000000 0.10112146749089 0.58049159574685 15.999 > 25 26 O 0.75000000000000 0.10112146749089 0.58049159574685 15.999 > 25 27 O 0.25000000000000 0.60112146749089 0.58049159574685 15.999 > 25 28 O 0.75000000000000 0.60112146749089 0.58049159574685 15.999 > 25 29 O 0.25000000000000 0.39887853250911 0.08049159574685 15.999 > 29 30 O 0.75000000000000 0.39887853250911 0.08049159574685 15.999 > 29 31 O 0.25000000000000 0.89887853250911 0.08049159574685 15.999 > 29 32 O 0.75000000000000 0.89887853250911 0.08049159574685 15.999 > 29 33 O 0.33552624934362 0.25518902765426 0.25000000000000 15.999 > 1 34 O 0.83552624934362 0.25518902765426 0.25000000000000 15.999 > 1 35 O 0.33552624934362 0.75518902765426 0.25000000000000 15.999 > 1 36 O 0.83552624934362 0.75518902765426 0.25000000000000 15.999 > 1 37 O 0.16447375065639 0.24481097234574 0.75000000000000 15.999 > 5 38 O 0.66447375065639 0.24481097234574 0.75000000000000 15.999 > 5 39 O 0.16447375065639 0.74481097234574 0.75000000000000 15.999 > 5 40 O 0.66447375065639 0.74481097234574 0.75000000000000 15.999 > 5 41 O 0.16447375065639 0.25518902765426 0.25000000000000 15.999 > 9 42 O 0.66447375065639 0.25518902765426 0.25000000000000 15.999 > 9 43 O 0.16447375065639 0.75518902765426 0.25000000000000 15.999 > 9 44 O 0.66447375065639 0.75518902765426 0.25000000000000 15.999 > 9 45 O 0.33552624934362 0.24481097234574 0.75000000000000 15.999 > 13 46 O 0.83552624934362 0.24481097234574 0.75000000000000 15.999 > 13 47 O 0.33552624934362 0.74481097234574 0.75000000000000 15.999 > 13 48 O 0.83552624934362 0.74481097234574 0.75000000000000 15.999 > 13 49 O 0.00000000000000 0.35112146749089 0.91950840425315 15.999 > 17 50 O 0.50000000000000 0.35112146749089 0.91950840425315 15.999 > 17 51 O 0.00000000000000 0.85112146749089 0.91950840425315 15.999 > 17 52 O 0.50000000000000 0.85112146749089 0.91950840425315 15.999 > 17 53 O 0.00000000000000 0.14887853250911 0.41950840425315 15.999 > 21 54 O 0.50000000000000 0.14887853250911 0.41950840425315 15.999 > 21 55 O 0.00000000000000 0.64887853250911 0.41950840425315 15.999 > 21 56 O 0.50000000000000 0.64887853250911 0.41950840425315 15.999 > 21 57 O 0.00000000000000 0.35112146749089 0.58049159574685 15.999 > 25 58 O 0.50000000000000 0.35112146749089 0.58049159574685 15.999 > 25 59 O 0.00000000000000 0.85112146749089 0.58049159574685 15.999 > 25 60 O 0.50000000000000 0.85112146749089 0.58049159574685 15.999 > 25 61 O 0.00000000000000 0.14887853250911 0.08049159574685 15.999 > 29 62 O 0.50000000000000 0.14887853250911 0.08049159574685 15.999 > 29 63 O 0.00000000000000 0.64887853250911 0.08049159574685 15.999 > 29 64 O 0.50000000000000 0.64887853250911 0.08049159574685 15.999 > 29 65 S 0.25000000000000 0.32646200860004 0.25000000000000 32.065 > 65 66 S 0.75000000000000 0.32646200860004 0.25000000000000 32.065 > 65 67 S 0.25000000000000 0.82646200860004 0.25000000000000 32.065 > 65 68 S 0.75000000000000 0.82646200860004 0.25000000000000 32.065 > 65 69 S 0.25000000000000 0.17353799139996 0.75000000000000 32.065 > 69 70 S 0.75000000000000 0.17353799139996 0.75000000000000 32.065 > 69 71 S 0.25000000000000 0.67353799139996 0.75000000000000 32.065 > 69 72 S 0.75000000000000 0.67353799139996 0.75000000000000 32.065 > 69 73 S 0.00000000000000 0.07646200860004 0.25000000000000 32.065 > 65 74 S 0.50000000000000 0.07646200860004 0.25000000000000 32.065 > 65 75 S 0.00000000000000 0.57646200860004 0.25000000000000 32.065 > 65 76 S 0.50000000000000 0.57646200860004 0.25000000000000 32.065 > 65 77 S 0.00000000000000 0.42353799139996 0.75000000000000 32.065 > 69 78 S 0.50000000000000 0.42353799139996 0.75000000000000 32.065 > 69 79 S 0.00000000000000 0.92353799139996 0.75000000000000 32.065 > 69 80 S 0.50000000000000 0.92353799139996 0.75000000000000 32.065 > 69 81 Ca 0.25000000000000 0.07439192055343 0.25000000000000 40.078 > 81 82 Ca 0.75000000000000 0.07439192055343 0.25000000000000 40.078 > 81 83 Ca 0.25000000000000 0.57439192055343 0.25000000000000 40.078 > 81 84 Ca 0.75000000000000 0.57439192055343 0.25000000000000 40.078 > 81 85 Ca 0.25000000000000 0.42560807944657 0.75000000000000 40.078 > 85 86 Ca 0.75000000000000 0.42560807944657 0.75000000000000 40.078 > 85 87 Ca 0.25000000000000 0.92560807944657 0.75000000000000 40.078 > 85 88 Ca 0.75000000000000 0.92560807944657 0.75000000000000 40.078 > 85 89 Ca 0.00000000000000 0.32439192055343 0.25000000000000 40.078 > 81 90 Ca 0.50000000000000 0.32439192055343 0.25000000000000 40.078 > 81 91 Ca 0.00000000000000 0.82439192055343 0.25000000000000 40.078 > 81 92 Ca 0.50000000000000 0.82439192055343 0.25000000000000 40.078 > 81 93 Ca 0.00000000000000 0.17560807944657 0.75000000000000 40.078 > 85 94 Ca 0.50000000000000 0.17560807944657 0.75000000000000 40.078 > 85 95 Ca 0.00000000000000 0.67560807944657 0.75000000000000 40.078 > 85 96 Ca 0.50000000000000 0.67560807944657 0.75000000000000 40.078 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6643200 0.0000000 0.0000000 0.0000000 2.8923641 0.0000000 0.0000000 0.0000000 2.7009267 -------------------------- Born effective charges -------------------------- 1 O -1.9317801 0.3468349 0.0000000 0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 2 O -1.9317801 0.3468349 0.0000000 0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 3 O -1.9317801 -0.3468349 0.0000000 -0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 4 O -1.9317801 -0.3468349 0.0000000 -0.4130782 -1.5767754 0.0000000 0.0000000 0.0000000 -0.8605116 5 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 0.4877541 0.0000000 0.5751750 -2.1341634 6 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 -0.4877541 0.0000000 -0.5751750 -2.1341634 7 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 -0.4877541 0.0000000 -0.5751750 -2.1341634 8 O -0.8946425 0.0000000 0.0000000 0.0000000 -1.6731107 0.4877541 0.0000000 0.5751750 -2.1341634 9 S 3.2845044 0.0000000 0.0000000 0.0000000 3.7308388 0.0000000 0.0000000 0.0000000 3.4322275 10 S 3.2845044 0.0000000 0.0000000 0.0000000 3.7308388 0.0000000 0.0000000 0.0000000 3.4322275 11 Ca 2.3683408 0.0000000 0.0000000 0.0000000 2.7689334 0.0000000 0.0000000 0.0000000 2.5571223 12 Ca 2.3683408 0.0000000 0.0000000 0.0000000 2.7689334 0.0000000 0.0000000 0.0000000 2.5571223 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xyx) -0.00000006 (xyx) -0.00000006 (xxy) 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: 0.78, Number of G-points: 311, Lambda: 0.13 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 1.65e-04 1.65e-04 2.98e-04 2.98e-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 1.823 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 0.000) 0.000 11.723 ( 0.000 0.000 0.000) 0.000 11.874 ( 0.000 0.000 0.000) 0.000 14.172 ( 0.000 0.000 0.000) 0.000 14.569 ( 0.000 0.000 0.000) 0.000 16.786 ( 0.000 0.000 0.000) 0.000 17.243 ( 0.000 0.000 0.000) 0.000 17.289 ( 0.000 0.000 0.000) 0.000 17.838 ( 0.000 0.000 0.000) 0.000 19.239 ( 0.000 0.000 0.000) 0.000 19.343 ( 0.000 0.000 0.000) 0.000 28.881 ( 0.000 0.000 0.000) 0.000 28.998 ( 0.000 0.000 0.000) 0.000 31.325 ( 0.000 0.000 0.000) 0.000 31.827 ( 0.000 0.000 0.000) 0.000 32.238 ( 0.000 0.000 0.000) 0.000 32.399 ( 0.000 0.000 0.000) 0.000 33.083 ( 0.000 0.000 0.000) 0.000 33.088 ( 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 7.252 -32.621 0.000) 33.418 0.754 ( 29.775 -24.918 0.000) 38.826 1.252 ( 36.109 -51.599 0.000) 62.979 2.092 ( 24.171 -11.093 0.000) 26.595 3.896 ( 3.362 -18.430 0.000) 18.734 4.067 ( 7.528 -2.969 0.000) 8.092 4.458 ( -5.849 5.158 0.000) 7.798 4.712 ( -4.195 9.454 0.000) 10.343 4.831 ( -5.055 5.505 0.000) 7.474 4.980 ( 2.861 10.695 0.000) 11.071 5.142 ( 21.446 17.472 0.000) 27.662 5.719 ( -1.567 -14.671 0.000) 14.754 6.443 ( -3.985 0.415 0.000) 4.006 6.625 ( 6.528 11.796 0.000) 13.482 7.021 ( 3.361 0.188 0.000) 3.367 7.701 ( -0.199 1.309 0.000) 1.325 7.872 ( 0.197 -1.717 0.000) 1.728 9.710 ( -54.992 -37.360 0.000) 66.482 11.724 ( 0.520 0.181 0.000) 0.551 11.908 ( 2.033 -2.405 0.000) 3.149 14.165 ( -0.715 0.166 0.000) 0.734 14.565 ( 0.573 2.200 0.000) 2.273 16.805 ( 0.538 -2.045 0.000) 2.115 17.293 ( -0.285 -0.717 0.000) 0.772 17.424 ( 17.698 15.950 0.000) 23.825 17.820 ( -0.424 2.028 0.000) 2.072 19.339 ( -2.536 -1.850 0.000) 3.138 19.727 ( -24.166 -23.130 0.000) 33.451 28.886 ( -0.015 -0.429 0.000) 0.429 28.999 ( 0.004 -0.008 0.000) 0.009 31.349 ( 1.078 -2.324 0.000) 2.562 31.874 ( 4.594 -1.812 0.000) 4.938 32.416 ( 2.285 -0.206 0.000) 2.294 32.530 ( 25.510 23.171 0.000) 34.463 33.044 ( -2.052 3.406 0.000) 3.976 35.435 ( -30.133 -26.507 0.000) 40.132 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 6.703 -31.482 0.000) 32.188 1.508 ( 29.841 -24.720 0.000) 38.750 2.438 ( 32.516 -48.214 0.000) 58.154 2.641 ( 29.224 -12.965 0.000) 31.971 4.225 ( 8.569 -7.652 0.000) 11.489 4.238 ( -11.467 9.546 0.000) 14.920 4.377 ( 13.080 -26.226 0.000) 29.307 4.442 ( -8.245 16.233 0.000) 18.207 4.568 ( -4.432 15.949 0.000) 16.553 4.933 ( 1.661 3.030 0.000) 3.455 5.177 ( 11.326 6.435 0.000) 13.027 5.926 ( -1.710 -15.562 0.000) 15.655 6.355 ( -7.465 1.182 0.000) 7.557 6.492 ( -3.952 8.297 0.000) 9.190 7.073 ( 4.556 0.473 0.000) 4.581 7.677 ( -0.193 1.392 0.000) 1.405 7.903 ( 0.166 -1.987 0.000) 1.994 9.475 ( -31.007 -7.356 0.000) 31.867 11.735 ( 1.182 -0.261 0.000) 1.210 11.985 ( 2.928 -3.333 0.000) 4.437 14.152 ( -0.906 0.021 0.000) 0.907 14.533 ( 1.821 4.095 0.000) 4.482 16.858 ( 1.005 -3.786 0.000) 3.917 17.301 ( -0.531 -0.956 0.000) 1.094 17.412 ( 8.218 8.757 0.000) 12.009 17.768 ( -0.815 3.839 0.000) 3.925 19.340 ( -2.829 -3.217 0.000) 4.284 19.751 ( -10.056 -9.944 0.000) 14.142 28.895 ( 0.152 -0.748 0.000) 0.764 28.997 ( -0.088 0.193 0.000) 0.213 31.421 ( 2.161 -4.549 0.000) 5.036 31.979 ( 6.412 -1.863 0.000) 6.677 32.452 ( 5.887 4.130 0.000) 7.191 32.536 ( 7.010 3.064 0.000) 7.650 32.934 ( -3.725 6.237 0.000) 7.265 35.432 ( -13.717 -11.820 0.000) 18.108 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 5.996 -29.770 0.000) 30.368 2.253 ( 29.219 -23.864 0.000) 37.726 3.186 ( 24.939 -12.645 0.000) 27.962 3.498 ( 26.957 -42.200 0.000) 50.075 3.881 ( -15.240 14.251 0.000) 20.865 4.053 ( -8.752 20.602 0.000) 22.384 4.306 ( -3.764 12.079 0.000) 12.651 4.428 ( 8.966 -4.233 0.000) 9.915 4.906 ( 0.625 2.611 0.000) 2.685 4.920 ( 13.206 -13.053 0.000) 18.569 5.303 ( 8.530 -12.077 0.000) 14.786 6.119 ( -1.250 -12.870 0.000) 12.930 6.235 ( -7.413 0.723 0.000) 7.448 6.296 ( -7.656 6.944 0.000) 10.336 7.101 ( 2.097 2.231 0.000) 3.062 7.658 ( -0.073 0.943 0.000) 0.946 7.930 ( 0.014 -1.488 0.000) 1.488 9.137 ( -22.385 5.379 0.000) 23.022 11.760 ( 1.432 -0.592 0.000) 1.550 12.072 ( 2.803 -3.132 0.000) 4.203 14.145 ( -0.573 -0.362 0.000) 0.678 14.497 ( 2.251 4.247 0.000) 4.807 16.939 ( 1.339 -4.960 0.000) 5.137 17.304 ( -0.872 -0.707 0.000) 1.123 17.379 ( 4.142 6.561 0.000) 7.759 17.688 ( -1.131 5.125 0.000) 5.249 19.362 ( -1.684 -3.838 0.000) 4.192 19.751 ( -6.250 -4.466 0.000) 7.682 28.911 ( 0.240 -0.907 0.000) 0.939 28.991 ( -0.144 0.420 0.000) 0.444 31.537 ( 3.130 -6.377 0.000) 7.104 32.074 ( 5.213 -0.402 0.000) 5.228 32.429 ( 2.215 5.182 0.000) 5.636 32.640 ( 5.898 -4.517 0.000) 7.429 32.772 ( -4.739 8.037 0.000) 9.330 35.426 ( -7.612 -6.274 0.000) 9.864 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 5.466 -27.586 0.000) 28.123 2.955 ( 26.677 -21.291 0.000) 34.132 3.480 ( -12.422 13.824 0.000) 18.586 3.623 ( -8.701 21.722 0.000) 23.399 3.641 ( 17.027 -10.458 0.000) 19.982 4.117 ( -2.923 7.592 0.000) 8.135 4.323 ( 15.027 -25.893 0.000) 29.937 4.592 ( 10.125 -6.279 0.000) 11.914 4.876 ( 0.169 1.998 0.000) 2.005 5.003 ( -1.508 4.490 0.000) 4.736 5.676 ( 5.361 -11.298 0.000) 12.505 6.128 ( -4.856 2.621 0.000) 5.518 6.222 ( 1.506 -7.522 0.000) 7.672 6.265 ( -0.691 -8.426 0.000) 8.455 7.062 ( -1.303 2.690 0.000) 2.989 7.648 ( 0.025 0.459 0.000) 0.460 7.946 ( -0.089 -0.818 0.000) 0.823 8.758 ( -16.003 10.996 0.000) 19.417 11.786 ( 1.132 -0.552 0.000) 1.260 12.144 ( 1.952 -2.174 0.000) 2.922 14.147 ( -0.165 -0.564 0.000) 0.588 14.469 ( 1.846 3.079 0.000) 3.590 17.033 ( 1.395 -5.081 0.000) 5.269 17.299 ( -1.269 -0.530 0.000) 1.375 17.333 ( 2.031 4.841 0.000) 5.250 17.594 ( -1.231 5.275 0.000) 5.417 19.405 ( -0.275 -3.448 0.000) 3.459 19.722 ( -4.361 -1.294 0.000) 4.549 28.925 ( 0.124 -0.655 0.000) 0.667 28.983 ( -0.022 0.340 0.000) 0.340 31.682 ( 3.546 -6.977 0.000) 7.827 32.129 ( 3.625 0.481 0.000) 3.657 32.374 ( -1.121 2.832 0.000) 3.046 32.587 ( -4.716 8.130 0.000) 9.399 32.786 ( 5.383 -4.233 0.000) 6.848 35.419 ( -4.006 -3.104 0.000) 5.068 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 4.853 -22.274 0.000) 22.797 3.154 ( -5.730 17.470 0.000) 18.386 3.260 ( -5.391 8.483 0.000) 10.051 3.538 ( 19.823 -14.992 0.000) 24.853 3.836 ( -2.400 1.129 0.000) 2.652 4.013 ( -1.155 2.651 0.000) 2.892 4.556 ( 5.632 -4.392 0.000) 7.142 4.790 ( -2.095 9.077 0.000) 9.316 4.856 ( 0.020 0.756 0.000) 0.756 5.036 ( 2.961 -15.959 0.000) 16.231 5.706 ( -1.122 3.252 0.000) 3.440 6.092 ( -0.352 -0.684 0.000) 0.769 6.343 ( -0.213 -2.930 0.000) 2.938 6.397 ( 3.057 -4.283 0.000) 5.262 7.043 ( -0.142 -1.914 0.000) 1.919 7.644 ( 0.026 0.124 0.000) 0.127 7.953 ( -0.054 -0.247 0.000) 0.253 8.455 ( -6.911 6.980 0.000) 9.823 11.802 ( 0.426 -0.219 0.000) 0.479 12.183 ( 0.693 -0.773 0.000) 1.039 14.153 ( -0.006 -0.278 0.000) 0.278 14.455 ( 0.717 1.116 0.000) 1.326 17.109 ( 0.727 -2.632 0.000) 2.730 17.290 ( -1.373 -0.812 0.000) 1.595 17.299 ( 1.359 2.474 0.000) 2.823 17.517 ( -0.664 2.718 0.000) 2.798 19.446 ( 0.274 -1.564 0.000) 1.588 19.688 ( -1.826 0.013 0.000) 1.826 28.932 ( -0.008 -0.175 0.000) 0.175 28.981 ( 0.054 0.067 0.000) 0.086 31.808 ( 2.016 -3.864 0.000) 4.359 32.158 ( 1.652 0.300 0.000) 1.679 32.328 ( -1.192 0.890 0.000) 1.488 32.438 ( -2.441 4.270 0.000) 4.918 32.882 ( 2.131 -1.643 0.000) 2.691 35.415 ( -1.262 -0.931 0.000) 1.569 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 18.112 -0.000 0.000) 18.112 0.820 ( 31.351 -0.000 0.000) 31.351 1.687 ( 62.535 -0.000 0.000) 62.535 2.430 ( 38.452 -0.000 0.000) 38.452 3.816 ( 5.991 -0.000 0.000) 5.991 4.188 ( 14.105 -0.000 0.000) 14.105 4.374 ( -12.198 0.000 0.000) 12.198 4.757 ( -6.431 0.000 0.000) 6.431 4.765 ( -4.583 0.000 0.000) 4.583 5.109 ( -0.267 0.000 0.000) 0.267 5.525 ( 4.186 -0.000 0.000) 4.186 5.539 ( -4.260 0.000 0.000) 4.260 6.371 ( -7.513 0.000 0.000) 7.513 7.007 ( 0.359 -0.000 0.000) 0.359 7.076 ( 2.587 -0.000 0.000) 2.587 7.709 ( -0.258 0.000 0.000) 0.258 7.863 ( 0.529 -0.000 0.000) 0.529 8.506 ( -21.598 0.000 0.000) 21.598 11.732 ( 0.698 -0.000 0.000) 0.698 11.933 ( 4.336 -0.000 0.000) 4.336 14.195 ( 1.774 -0.000 0.000) 1.774 14.598 ( 2.257 -0.000 0.000) 2.257 16.800 ( 1.040 -0.000 0.000) 1.040 17.280 ( -0.658 0.000 0.000) 0.658 17.722 ( -2.229 0.000 0.000) 2.229 17.827 ( -0.791 0.000 0.000) 0.791 19.240 ( 0.186 -0.000 0.000) 0.186 19.370 ( 1.951 -0.000 0.000) 1.951 28.884 ( 0.154 -0.000 0.000) 0.154 28.999 ( 0.042 -0.000 0.000) 0.042 31.352 ( 2.059 -0.000 0.000) 2.059 31.948 ( 8.695 -0.000 0.000) 8.695 32.443 ( 3.445 -0.000 0.000) 3.445 33.030 ( -3.944 0.000 0.000) 3.944 33.089 ( 0.134 -0.000 0.000) 0.134 34.820 ( -2.415 0.000 0.000) 2.415 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 14.059 -20.627 0.000) 24.963 1.457 ( 27.219 -26.937 0.000) 38.295 2.575 ( 53.880 -14.409 0.000) 55.774 2.962 ( 36.833 -2.122 0.000) 36.894 4.076 ( 9.608 -19.836 0.000) 22.040 4.155 ( -16.381 4.219 0.000) 16.915 4.430 ( 19.488 -4.089 0.000) 19.913 4.536 ( -9.224 11.582 0.000) 14.806 4.695 ( -5.543 6.448 0.000) 8.503 4.979 ( -3.110 8.005 0.000) 8.588 5.486 ( 8.087 12.133 0.000) 14.581 5.643 ( -4.018 -17.257 0.000) 17.719 6.246 ( -11.147 0.142 0.000) 11.148 6.705 ( -0.966 25.117 0.000) 25.136 7.108 ( 1.777 -0.780 0.000) 1.940 7.697 ( 0.019 1.203 0.000) 1.203 7.882 ( 0.605 -1.343 0.000) 1.473 8.607 ( -35.967 -40.200 0.000) 53.941 11.746 ( 1.051 -0.294 0.000) 1.091 12.008 ( 5.445 -1.114 0.000) 5.558 14.196 ( 2.529 3.064 0.000) 3.973 14.616 ( 3.221 2.564 0.000) 4.117 16.831 ( 1.438 -2.015 0.000) 2.475 17.277 ( -0.836 -0.882 0.000) 1.215 17.618 ( 0.425 8.019 0.000) 8.031 17.799 ( -1.096 2.057 0.000) 2.331 19.264 ( -1.107 -2.304 0.000) 2.556 19.492 ( -1.154 -10.663 0.000) 10.726 28.889 ( 0.198 -0.431 0.000) 0.474 28.999 ( -0.014 0.115 0.000) 0.116 31.402 ( 2.961 -2.422 0.000) 3.825 32.077 ( 10.154 0.234 0.000) 10.156 32.515 ( 5.672 -1.828 0.000) 5.960 32.884 ( 5.804 21.698 0.000) 22.461 32.945 ( -5.340 3.214 0.000) 6.232 34.984 ( -9.588 -21.458 0.000) 23.503 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 10.865 -24.650 0.000) 26.939 2.225 ( 26.084 -28.996 0.000) 39.002 3.382 ( 30.070 -8.868 0.000) 31.351 3.505 ( 39.989 -15.461 0.000) 42.873 3.837 ( -17.424 8.352 0.000) 19.322 4.199 ( -10.896 15.588 0.000) 19.019 4.445 ( -5.111 15.179 0.000) 16.016 4.448 ( 7.718 -9.976 0.000) 12.613 4.875 ( -6.218 -0.831 0.000) 6.274 4.901 ( 24.064 -20.365 0.000) 31.525 5.391 ( 3.716 11.422 0.000) 12.012 5.865 ( -2.851 -17.850 0.000) 18.076 6.107 ( -10.831 -2.327 0.000) 11.078 6.351 ( -7.760 14.782 0.000) 16.695 7.119 ( -1.488 0.281 0.000) 1.514 7.679 ( 0.449 1.453 0.000) 1.521 7.911 ( 0.440 -1.447 0.000) 1.512 8.617 ( -33.469 -23.613 0.000) 40.960 11.767 ( 1.144 -0.605 0.000) 1.294 12.097 ( 5.413 -0.989 0.000) 5.502 14.183 ( 2.790 3.235 0.000) 4.272 14.607 ( 3.862 4.832 0.000) 6.185 16.894 ( 1.692 -3.707 0.000) 4.075 17.279 ( -1.150 -0.957 0.000) 1.496 17.515 ( 0.252 6.779 0.000) 6.783 17.739 ( -1.354 3.889 0.000) 4.118 19.296 ( 0.084 -3.127 0.000) 3.128 19.597 ( -2.698 -7.058 0.000) 7.556 28.901 ( 0.220 -0.792 0.000) 0.822 28.995 ( -0.070 0.319 0.000) 0.327 31.499 ( 3.735 -4.724 0.000) 6.022 32.183 ( 8.812 2.431 0.000) 9.142 32.623 ( 6.946 4.910 0.000) 8.506 32.695 ( 5.502 8.099 0.000) 9.791 32.803 ( -6.040 5.720 0.000) 8.319 35.134 ( -9.733 -16.305 0.000) 18.990 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 9.045 -25.215 0.000) 26.788 2.967 ( 25.847 -25.167 0.000) 36.075 3.490 ( -13.344 9.939 0.000) 16.639 3.790 ( 20.935 -3.386 0.000) 21.207 3.813 ( -9.499 18.342 0.000) 20.656 4.174 ( -6.346 10.438 0.000) 12.216 4.238 ( 25.927 -18.994 0.000) 32.140 4.601 ( 3.956 -3.794 0.000) 5.481 4.816 ( -7.534 -3.164 0.000) 8.171 5.129 ( -4.151 13.468 0.000) 14.093 5.557 ( 12.366 -18.375 0.000) 22.149 6.077 ( -1.890 -14.705 0.000) 14.826 6.082 ( -4.664 -6.537 0.000) 8.030 6.108 ( -4.792 1.047 0.000) 4.905 7.053 ( -5.144 2.423 0.000) 5.686 7.667 ( 0.774 1.311 0.000) 1.522 7.933 ( 0.265 -1.022 0.000) 1.056 8.468 ( -27.247 -10.947 0.000) 29.364 11.789 ( 0.784 -0.572 0.000) 0.970 12.171 ( 4.600 -0.080 0.000) 4.601 14.176 ( 2.553 2.496 0.000) 3.571 14.577 ( 3.910 5.926 0.000) 7.100 16.980 ( 1.751 -4.740 0.000) 5.053 17.272 ( -1.653 -0.584 0.000) 1.753 17.425 ( -0.153 5.419 0.000) 5.421 17.653 ( -1.516 5.063 0.000) 5.286 19.356 ( 1.153 -3.679 0.000) 3.856 19.640 ( -2.260 -3.578 0.000) 4.232 28.916 ( 0.091 -0.811 0.000) 0.816 28.989 ( 0.014 0.377 0.000) 0.377 31.634 ( 4.116 -6.286 0.000) 7.514 32.237 ( 7.131 4.178 0.000) 8.265 32.505 ( 4.002 11.825 0.000) 12.484 32.629 ( -5.869 6.936 0.000) 9.085 32.805 ( 6.152 -3.197 0.000) 6.933 35.225 ( -8.030 -12.051 0.000) 14.481 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 8.448 -24.526 0.000) 25.941 3.245 ( -4.694 6.267 0.000) 7.830 3.423 ( -6.413 19.972 0.000) 20.977 3.606 ( 23.594 -16.119 0.000) 28.574 3.914 ( 0.494 9.744 0.000) 9.757 3.991 ( -6.793 2.470 0.000) 7.228 4.570 ( 6.779 -4.869 0.000) 8.346 4.741 ( -13.463 3.727 0.000) 13.969 4.772 ( -8.025 -4.719 0.000) 9.309 4.951 ( 9.465 -9.696 0.000) 13.550 5.726 ( -0.777 0.578 0.000) 0.969 6.068 ( 0.577 -2.242 0.000) 2.315 6.239 ( -1.198 -9.862 0.000) 9.935 6.324 ( 3.522 -12.096 0.000) 12.598 6.965 ( -4.927 -2.564 0.000) 5.554 7.660 ( 0.884 1.124 0.000) 1.430 7.948 ( 0.217 -0.551 0.000) 0.592 8.278 ( -19.491 -6.919 0.000) 20.683 11.801 ( 0.098 -0.222 0.000) 0.242 12.215 ( 3.323 1.269 0.000) 3.557 14.174 ( 1.928 1.754 0.000) 2.607 14.537 ( 3.278 5.857 0.000) 6.712 17.071 ( 1.421 -4.294 0.000) 4.523 17.256 ( -2.002 -0.588 0.000) 2.086 17.359 ( 0.308 3.552 0.000) 3.565 17.560 ( -1.344 4.634 0.000) 4.825 19.423 ( 1.273 -2.785 0.000) 3.062 19.659 ( -0.251 -1.910 0.000) 1.927 28.926 ( -0.081 -0.531 0.000) 0.538 28.985 ( 0.124 0.278 0.000) 0.305 31.775 ( 3.255 -5.330 0.000) 6.245 32.240 ( 4.033 5.459 0.000) 6.787 32.423 ( 5.775 7.508 0.000) 9.473 32.466 ( -4.191 5.311 0.000) 6.766 32.895 ( 2.655 -0.679 0.000) 2.741 35.289 ( -6.002 -9.324 0.000) 11.089 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 6.590 -9.960 0.000) 11.943 3.059 ( -1.444 9.086 0.000) 9.200 3.252 ( 5.015 -2.966 0.000) 5.827 3.544 ( -18.716 19.145 0.000) 26.774 3.931 ( -5.180 -4.857 0.000) 7.101 3.947 ( 7.036 6.708 0.000) 9.721 4.457 ( -13.669 -4.353 0.000) 14.345 4.729 ( 6.133 -0.295 0.000) 6.140 4.749 ( -7.969 -6.363 0.000) 10.197 5.187 ( 3.928 -0.333 0.000) 3.942 5.684 ( -0.289 0.751 0.000) 0.805 6.100 ( 1.198 -0.331 0.000) 1.243 6.331 ( -0.701 -4.138 0.000) 4.197 6.393 ( -2.666 0.642 0.000) 2.742 6.997 ( -3.693 -4.946 0.000) 6.172 7.656 ( 0.809 0.943 0.000) 1.243 7.956 ( 0.266 -0.125 0.000) 0.294 8.259 ( -7.952 -17.509 0.000) 19.231 11.797 ( -0.658 0.258 0.000) 0.707 12.219 ( 1.855 2.766 0.000) 3.331 14.173 ( 1.376 1.245 0.000) 1.856 14.493 ( 2.153 4.744 0.000) 5.210 17.124 ( 0.323 -0.513 0.000) 0.606 17.244 ( -1.975 -1.447 0.000) 2.448 17.328 ( 0.921 1.778 0.000) 2.002 17.503 ( -0.384 0.712 0.000) 0.809 19.458 ( 0.605 -0.254 0.000) 0.656 19.703 ( 2.676 -1.974 0.000) 3.325 28.931 ( -0.063 -0.282 0.000) 0.288 28.982 ( 0.066 0.257 0.000) 0.265 31.833 ( -0.201 1.297 0.000) 1.312 32.192 ( 1.284 5.074 0.000) 5.234 32.407 ( 0.107 -2.082 0.000) 2.085 32.423 ( 7.536 5.268 0.000) 9.195 32.889 ( -1.412 2.578 0.000) 2.939 35.348 ( -3.647 -7.455 0.000) 8.299 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -2.390 26.948 0.000) 27.053 2.933 ( -25.863 22.759 0.000) 34.451 3.357 ( 9.304 -22.407 0.000) 24.262 3.490 ( 11.544 -12.959 0.000) 17.355 3.628 ( -18.290 16.502 0.000) 24.634 3.992 ( -2.775 -10.080 0.000) 10.455 4.479 ( 0.390 -0.092 0.000) 0.400 4.596 ( -8.354 21.628 0.000) 23.185 4.752 ( -7.501 -7.678 0.000) 10.734 5.084 ( 1.436 9.755 0.000) 9.860 5.707 ( -3.155 0.483 0.000) 3.192 6.157 ( 5.330 -2.474 0.000) 5.876 6.292 ( -1.488 5.525 0.000) 5.722 6.342 ( -0.271 1.738 0.000) 1.759 6.993 ( -4.688 -3.741 0.000) 5.997 7.654 ( 0.642 0.635 0.000) 0.903 7.958 ( 0.282 0.383 0.000) 0.475 8.569 ( 0.964 -28.054 0.000) 28.071 11.778 ( -1.203 0.649 0.000) 1.367 12.183 ( 0.464 4.127 0.000) 4.153 14.175 ( 1.480 0.973 0.000) 1.771 14.457 ( 0.872 2.650 0.000) 2.790 17.089 ( -0.761 4.187 0.000) 4.255 17.247 ( -2.328 -2.603 0.000) 3.492 17.324 ( 1.043 0.856 0.000) 1.349 17.535 ( 0.635 -4.191 0.000) 4.239 19.454 ( 0.904 1.830 0.000) 2.041 19.779 ( 4.370 -1.639 0.000) 4.667 28.931 ( -0.025 0.223 0.000) 0.225 28.981 ( 0.060 -0.024 0.000) 0.065 31.745 ( -2.478 6.769 0.000) 7.209 32.133 ( -0.026 4.123 0.000) 4.123 32.444 ( 6.360 4.665 0.000) 7.887 32.515 ( 3.038 -8.281 0.000) 8.820 32.791 ( -4.176 5.161 0.000) 6.639 35.417 ( -0.854 -5.870 0.000) 5.932 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -2.604 30.446 0.000) 30.557 2.233 ( -26.627 25.129 0.000) 36.612 3.109 ( -21.951 17.240 0.000) 27.912 3.801 ( 9.438 -20.023 0.000) 22.136 3.884 ( 12.079 -18.035 0.000) 21.707 3.921 ( -12.093 46.165 0.000) 47.723 4.145 ( -0.624 -13.564 0.000) 13.578 4.407 ( -3.885 6.627 0.000) 7.682 4.777 ( -6.650 -8.052 0.000) 10.443 4.988 ( 0.050 7.882 0.000) 7.882 5.423 ( -12.732 19.558 0.000) 23.337 6.275 ( 0.145 7.127 0.000) 7.129 6.292 ( 7.045 -3.269 0.000) 7.766 6.335 ( 8.691 -3.171 0.000) 9.251 6.988 ( -6.766 -5.077 0.000) 8.459 7.655 ( 0.447 0.064 0.000) 0.452 7.951 ( 0.186 1.067 0.000) 1.083 9.044 ( 5.606 -29.298 0.000) 29.830 11.750 ( -1.296 0.763 0.000) 1.504 12.113 ( -0.535 5.051 0.000) 5.079 14.185 ( 2.293 1.027 0.000) 2.513 14.442 ( -0.238 -0.191 0.000) 0.305 17.003 ( -0.853 5.522 0.000) 5.587 17.252 ( -3.676 -3.068 0.000) 4.788 17.325 ( 0.760 0.693 0.000) 1.029 17.620 ( 0.734 -5.645 0.000) 5.693 19.435 ( 1.606 2.773 0.000) 3.204 19.857 ( 5.100 -0.536 0.000) 5.128 28.922 ( -0.045 0.870 0.000) 0.871 28.986 ( 0.154 -0.443 0.000) 0.469 31.604 ( -2.197 7.468 0.000) 7.785 32.063 ( -1.666 4.170 0.000) 4.490 32.442 ( 3.608 4.428 0.000) 5.712 32.647 ( -4.701 5.875 0.000) 7.524 32.692 ( 3.050 -9.543 0.000) 10.019 35.501 ( 2.293 -4.339 0.000) 4.908 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -21.295 27.988 0.000) 35.168 1.572 ( -2.109 33.038 0.000) 33.105 2.577 ( -17.199 19.269 0.000) 25.829 2.999 ( -9.747 58.014 0.000) 58.828 4.155 ( 4.377 -15.338 0.000) 15.951 4.231 ( -4.299 8.516 0.000) 9.540 4.301 ( 9.305 -18.298 0.000) 20.528 4.371 ( 1.192 -16.318 0.000) 16.361 4.720 ( -1.816 29.265 0.000) 29.321 4.812 ( -4.957 -6.923 0.000) 8.515 5.061 ( -7.970 5.590 0.000) 9.735 6.140 ( 0.381 11.542 0.000) 11.548 6.409 ( 4.509 -1.949 0.000) 4.912 6.497 ( 6.704 -2.804 0.000) 7.267 6.968 ( -6.039 -4.213 0.000) 7.363 7.664 ( 0.231 -0.705 0.000) 0.742 7.931 ( 0.040 1.796 0.000) 1.797 9.552 ( 8.403 -26.445 0.000) 27.748 11.726 ( -0.827 0.494 0.000) 0.963 12.027 ( -0.796 5.241 0.000) 5.301 14.201 ( 2.587 1.423 0.000) 2.952 14.460 ( -0.645 -2.980 0.000) 3.049 16.915 ( -0.498 5.076 0.000) 5.101 17.236 ( -4.797 -2.428 0.000) 5.376 17.321 ( 0.347 0.794 0.000) 0.866 17.709 ( 0.424 -5.175 0.000) 5.192 19.414 ( 1.486 2.905 0.000) 3.263 19.929 ( 5.481 0.039 0.000) 5.481 28.908 ( 0.015 0.991 0.000) 0.991 28.994 ( 0.101 -0.365 0.000) 0.379 31.479 ( -1.154 6.321 0.000) 6.426 31.968 ( -2.543 4.619 0.000) 5.273 32.406 ( 0.852 4.666 0.000) 4.743 32.511 ( -3.976 4.509 0.000) 6.012 32.860 ( 1.824 -8.612 0.000) 8.803 35.605 ( 4.886 -3.379 0.000) 5.941 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.000 31.275 0.000) 31.275 1.053 ( -0.000 34.959 0.000) 34.959 2.009 ( -0.000 65.430 0.000) 65.430 2.157 ( -0.000 19.225 0.000) 19.225 4.086 ( -0.000 6.308 0.000) 6.308 4.244 ( -0.000 29.930 0.000) 29.930 4.374 ( 0.000 -10.732 0.000) 10.732 4.582 ( 0.000 -12.665 0.000) 12.665 4.669 ( 0.000 -19.838 0.000) 19.838 4.854 ( 0.000 -3.631 0.000) 3.631 4.956 ( -0.000 2.688 0.000) 2.688 5.949 ( -0.000 14.562 0.000) 14.562 6.459 ( 0.000 -0.929 0.000) 0.929 6.562 ( 0.000 -0.653 0.000) 0.653 6.977 ( 0.000 -2.350 0.000) 2.350 7.682 ( 0.000 -1.360 0.000) 1.360 7.901 ( -0.000 2.200 0.000) 2.200 9.994 ( 0.000 -21.710 0.000) 21.710 11.717 ( 0.000 -0.016 0.000) 0.016 11.948 ( -0.000 4.431 0.000) 4.431 14.199 ( -0.000 1.547 0.000) 1.547 14.510 ( 0.000 -4.149 0.000) 4.149 16.845 ( -0.000 3.819 0.000) 3.819 17.217 ( 0.000 -1.143 0.000) 1.143 17.311 ( -0.000 0.934 0.000) 0.934 17.779 ( 0.000 -3.832 0.000) 3.832 19.385 ( -0.000 2.506 0.000) 2.506 19.987 ( 0.000 -1.003 0.000) 1.003 28.895 ( -0.000 0.744 0.000) 0.744 28.998 ( 0.000 -0.097 0.000) 0.097 31.392 ( -0.000 4.475 0.000) 4.475 31.883 ( -0.000 3.741 0.000) 3.741 32.321 ( -0.000 5.476 0.000) 5.476 32.434 ( -0.000 2.392 0.000) 2.392 32.984 ( 0.000 -6.435 0.000) 6.435 35.707 ( 0.000 -3.482 0.000) 3.482 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 17.546 -0.000 0.000) 17.546 1.617 ( 29.495 -0.000 0.000) 29.495 3.200 ( 52.733 -0.000 0.000) 52.733 3.463 ( 36.930 -0.000 0.000) 36.930 3.950 ( -19.345 0.000 0.000) 19.345 4.029 ( 9.853 -0.000 0.000) 9.853 4.520 ( -11.509 0.000 0.000) 11.509 4.595 ( -9.087 0.000 0.000) 9.087 4.673 ( 21.971 -0.000 0.000) 21.971 5.075 ( -1.774 0.000 0.000) 1.774 5.386 ( -7.206 0.000 0.000) 7.206 5.658 ( 5.458 -0.000 0.000) 5.458 6.060 ( -17.262 0.000 0.000) 17.262 6.995 ( -2.404 0.000 0.000) 2.404 7.105 ( -0.743 0.000 0.000) 0.743 7.708 ( 0.297 -0.000 0.000) 0.297 7.728 ( -36.070 0.000 0.000) 36.070 7.882 ( 0.967 -0.000 0.000) 0.967 11.757 ( 1.131 -0.000 0.000) 1.131 12.083 ( 6.768 -0.000 0.000) 6.768 14.261 ( 3.228 -0.000 0.000) 3.228 14.687 ( 4.523 -0.000 0.000) 4.523 16.837 ( 1.736 -0.000 0.000) 1.736 17.258 ( -1.051 0.000 0.000) 1.051 17.643 ( -3.666 0.000 0.000) 3.666 17.799 ( -1.281 0.000 0.000) 1.281 19.255 ( 1.085 -0.000 0.000) 1.085 19.433 ( 2.623 -0.000 0.000) 2.623 28.888 ( 0.131 -0.000 0.000) 0.131 28.999 ( -0.015 0.000 0.000) 0.015 31.427 ( 3.579 -0.000 0.000) 3.579 32.228 ( 11.643 -0.000 0.000) 11.643 32.582 ( 7.213 -0.000 0.000) 7.213 32.891 ( -6.386 0.000 0.000) 6.386 33.102 ( 1.006 -0.000 0.000) 1.006 34.720 ( -5.353 0.000 0.000) 5.353 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 15.348 -13.208 0.000) 20.248 2.163 ( 26.204 -21.802 0.000) 34.088 3.672 ( -19.625 2.376 0.000) 19.769 3.775 ( 31.657 5.476 0.000) 32.127 3.911 ( 40.085 -3.764 0.000) 40.261 4.237 ( -13.252 11.629 0.000) 17.630 4.340 ( 9.501 -16.810 0.000) 19.309 4.508 ( -9.661 -0.246 0.000) 9.664 4.847 ( -6.070 14.611 0.000) 15.822 5.014 ( 23.180 -7.376 0.000) 24.325 5.527 ( -4.515 -21.068 0.000) 21.546 5.593 ( -4.685 12.826 0.000) 13.655 5.882 ( -12.075 -6.652 0.000) 13.786 6.534 ( -14.295 27.695 0.000) 31.166 7.090 ( -2.879 0.081 0.000) 2.880 7.706 ( 0.688 0.989 0.000) 1.205 7.715 ( -30.126 -36.939 0.000) 47.666 7.902 ( 0.936 -0.804 0.000) 1.233 11.775 ( 1.140 -0.314 0.000) 1.183 12.173 ( 6.818 0.097 0.000) 6.819 14.282 ( 3.841 3.192 0.000) 4.995 14.728 ( 5.259 3.184 0.000) 6.148 16.876 ( 1.872 -1.980 0.000) 2.725 17.248 ( -1.412 -0.770 0.000) 1.609 17.569 ( -3.169 3.239 0.000) 4.531 17.766 ( -1.425 2.133 0.000) 2.565 19.279 ( 1.603 -1.051 0.000) 1.917 19.501 ( 1.176 -4.282 0.000) 4.440 28.893 ( 0.116 -0.520 0.000) 0.532 28.998 ( -0.048 0.175 0.000) 0.182 31.496 ( 4.026 -2.578 0.000) 4.781 32.352 ( 10.132 2.788 0.000) 10.508 32.705 ( 8.565 -2.117 0.000) 8.823 32.783 ( -6.732 2.915 0.000) 7.336 32.988 ( 3.375 15.558 0.000) 15.920 34.767 ( -8.220 -14.962 0.000) 17.071 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 12.623 -18.798 0.000) 22.643 2.873 ( 23.242 -29.281 0.000) 37.384 3.401 ( -15.042 2.517 0.000) 15.251 3.886 ( -12.608 12.111 0.000) 17.483 4.070 ( 22.805 2.242 0.000) 22.915 4.294 ( -6.636 14.219 0.000) 15.691 4.440 ( 24.994 -3.611 0.000) 25.253 4.581 ( 5.492 -5.577 0.000) 7.827 4.628 ( -11.952 -1.272 0.000) 12.019 5.191 ( -18.654 11.584 0.000) 21.958 5.503 ( 15.860 -12.896 0.000) 20.441 5.789 ( -2.783 -19.985 0.000) 20.178 5.894 ( -4.978 -7.590 0.000) 9.077 6.089 ( -8.215 7.068 0.000) 10.837 7.017 ( -5.531 2.532 0.000) 6.084 7.700 ( 1.012 1.334 0.000) 1.675 7.814 ( -26.658 -25.882 0.000) 37.156 7.926 ( 0.702 -0.823 0.000) 1.082 11.793 ( 0.821 -0.294 0.000) 0.872 12.250 ( 5.997 0.980 0.000) 6.077 14.275 ( 3.914 4.438 0.000) 5.918 14.729 ( 5.352 5.987 0.000) 8.031 16.942 ( 1.840 -3.620 0.000) 4.060 17.239 ( -1.887 -0.735 0.000) 2.025 17.479 ( -2.179 3.888 0.000) 4.457 17.701 ( -1.535 3.998 0.000) 4.282 19.330 ( 1.922 -2.642 0.000) 3.267 19.570 ( 0.188 -3.816 0.000) 3.820 28.905 ( 0.054 -0.775 0.000) 0.777 28.994 ( 0.008 0.272 0.000) 0.273 31.605 ( 4.182 -4.864 0.000) 6.415 32.411 ( 7.837 5.079 0.000) 9.339 32.638 ( -6.323 5.001 0.000) 8.061 32.779 ( 5.797 13.319 0.000) 14.526 32.865 ( 7.240 1.372 0.000) 7.369 34.890 ( -9.385 -16.557 0.000) 19.032 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 11.149 -21.579 0.000) 24.289 3.240 ( -5.361 0.516 0.000) 5.386 3.572 ( -8.737 11.649 0.000) 14.562 3.590 ( 21.337 -27.454 0.000) 34.770 3.986 ( -7.701 12.901 0.000) 15.024 4.081 ( -6.303 16.183 0.000) 17.367 4.531 ( -13.764 -7.434 0.000) 15.643 4.582 ( -6.592 5.266 0.000) 8.437 4.711 ( 0.541 1.610 0.000) 1.698 4.923 ( 8.003 -5.789 0.000) 9.878 5.670 ( -4.198 -5.011 0.000) 6.537 6.027 ( -1.768 -16.067 0.000) 16.164 6.065 ( 5.435 -3.550 0.000) 6.492 6.149 ( 5.306 -16.832 0.000) 17.649 6.883 ( -7.139 2.869 0.000) 7.694 7.694 ( 1.121 1.410 0.000) 1.802 7.798 ( -23.362 -17.466 0.000) 29.169 7.944 ( 0.516 -0.589 0.000) 0.783 11.802 ( 0.249 0.063 0.000) 0.257 12.296 ( 4.642 2.291 0.000) 5.177 14.255 ( 3.204 4.404 0.000) 5.446 14.693 ( 4.740 7.693 0.000) 9.036 17.025 ( 1.591 -4.443 0.000) 4.719 17.222 ( -1.990 -0.490 0.000) 2.050 17.406 ( -0.828 3.180 0.000) 3.286 17.613 ( -1.485 4.972 0.000) 5.189 19.398 ( 1.541 -3.116 0.000) 3.476 19.626 ( 0.895 -3.192 0.000) 3.315 28.915 ( -0.069 -0.673 0.000) 0.677 28.991 ( 0.132 0.256 0.000) 0.288 31.738 ( 3.628 -5.667 0.000) 6.729 32.399 ( 4.260 7.483 0.000) 8.610 32.484 ( -4.948 5.241 0.000) 7.208 32.671 ( 8.908 11.919 0.000) 14.880 32.939 ( 4.132 1.054 0.000) 4.264 35.006 ( -8.630 -15.229 0.000) 17.505 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 11.339 -22.720 0.000) 25.392 3.244 ( 2.844 4.765 0.000) 5.549 3.304 ( -1.463 8.923 0.000) 9.042 3.588 ( -21.257 21.510 0.000) 30.242 3.770 ( -9.771 -0.498 0.000) 9.784 4.108 ( -23.409 14.824 0.000) 27.708 4.197 ( 15.735 -19.321 0.000) 24.918 4.481 ( -13.612 -10.008 0.000) 16.896 4.878 ( 10.859 2.764 0.000) 11.206 5.134 ( 3.317 -9.194 0.000) 9.774 5.704 ( 1.371 -1.179 0.000) 1.809 6.140 ( 4.151 1.555 0.000) 4.432 6.208 ( -1.117 -10.784 0.000) 10.842 6.351 ( -0.661 -3.681 0.000) 3.740 6.830 ( -5.803 -7.555 0.000) 9.526 7.687 ( 1.013 1.411 0.000) 1.737 7.788 ( -17.870 -21.021 0.000) 27.590 7.957 ( 0.416 -0.342 0.000) 0.538 11.797 ( -0.345 0.573 0.000) 0.669 12.302 ( 3.040 3.740 0.000) 4.820 14.231 ( 2.136 3.518 0.000) 4.116 14.630 ( 3.616 8.046 0.000) 8.822 17.103 ( 0.973 -3.279 0.000) 3.420 17.206 ( -1.570 -0.620 0.000) 1.688 17.365 ( 0.327 1.984 0.000) 2.010 17.528 ( -1.020 3.763 0.000) 3.899 19.451 ( 0.784 -1.929 0.000) 2.082 19.696 ( 2.387 -3.508 0.000) 4.243 28.923 ( -0.090 -0.543 0.000) 0.550 28.989 ( 0.164 0.335 0.000) 0.373 31.837 ( 1.413 -1.950 0.000) 2.408 32.320 ( 2.253 8.056 0.000) 8.365 32.385 ( -1.918 0.850 0.000) 2.098 32.648 ( 9.680 8.864 0.000) 13.125 32.930 ( 0.613 4.229 0.000) 4.273 35.119 ( -6.582 -13.824 0.000) 15.311 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 1.358 22.491 0.000) 22.532 2.962 ( -22.210 23.870 0.000) 32.604 3.142 ( 8.305 -20.961 0.000) 22.546 3.477 ( 10.593 -9.625 0.000) 14.313 3.581 ( -23.318 13.948 0.000) 27.171 3.751 ( -8.181 -11.890 0.000) 14.433 4.475 ( -11.992 -11.857 0.000) 16.864 4.541 ( 11.743 -0.718 0.000) 11.765 4.847 ( 2.055 13.516 0.000) 13.672 5.199 ( -2.222 2.922 0.000) 3.671 5.684 ( -0.847 4.327 0.000) 4.409 6.195 ( 6.126 -2.307 0.000) 6.546 6.312 ( -0.627 -4.867 0.000) 4.908 6.350 ( 1.605 1.719 0.000) 2.352 6.842 ( -7.989 -4.840 0.000) 9.340 7.678 ( 0.745 1.301 0.000) 1.499 7.965 ( 0.317 -0.026 0.000) 0.318 8.026 ( -9.544 -35.327 0.000) 36.593 11.777 ( -0.700 1.006 0.000) 1.225 12.266 ( 1.492 5.049 0.000) 5.265 14.212 ( 1.303 1.943 0.000) 2.340 14.556 ( 2.328 7.070 0.000) 7.443 17.127 ( 0.008 1.279 0.000) 1.279 17.199 ( -1.259 -0.870 0.000) 1.531 17.351 ( 0.736 1.156 0.000) 1.371 17.497 ( -0.104 -1.016 0.000) 1.022 19.476 ( 0.653 -0.274 0.000) 0.708 19.786 ( 2.904 -3.710 0.000) 4.712 28.930 ( -0.005 -0.394 0.000) 0.394 28.985 ( 0.120 0.392 0.000) 0.410 31.811 ( -1.070 5.072 0.000) 5.184 32.232 ( 1.455 7.181 0.000) 7.327 32.429 ( 1.145 -6.787 0.000) 6.883 32.636 ( 7.129 8.022 0.000) 10.732 32.839 ( -1.534 6.890 0.000) 7.059 35.246 ( -3.658 -12.482 0.000) 13.007 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -15.145 26.681 0.000) 30.680 2.491 ( -0.654 29.147 0.000) 29.154 3.109 ( -14.778 15.854 0.000) 21.673 3.593 ( 7.540 -21.770 0.000) 23.039 3.795 ( 9.290 -14.666 0.000) 17.361 3.882 ( -4.740 -16.867 0.000) 17.520 4.451 ( -2.085 34.735 0.000) 34.797 4.522 ( -7.892 -12.365 0.000) 14.669 4.554 ( 2.456 14.138 0.000) 14.349 5.104 ( 0.992 5.241 0.000) 5.335 5.520 ( -7.568 12.561 0.000) 14.664 6.327 ( 5.382 -3.481 0.000) 6.410 6.334 ( -0.208 1.073 0.000) 1.093 6.413 ( 8.274 -1.853 0.000) 8.478 6.798 ( -8.894 -5.440 0.000) 10.426 7.669 ( 0.376 0.929 0.000) 1.003 7.965 ( 0.162 0.483 0.000) 0.510 8.522 ( -2.733 -40.765 0.000) 40.857 11.752 ( -0.604 1.166 0.000) 1.313 12.196 ( 0.352 5.923 0.000) 5.934 14.211 ( 0.885 0.119 0.000) 0.893 14.488 ( 1.023 4.950 0.000) 5.055 17.074 ( -0.320 4.916 0.000) 4.927 17.195 ( -1.257 -0.712 0.000) 1.444 17.345 ( 0.481 0.861 0.000) 0.986 17.547 ( 0.258 -4.904 0.000) 4.910 19.479 ( 0.683 1.053 0.000) 1.255 19.873 ( 2.177 -3.340 0.000) 3.987 28.931 ( 0.035 0.270 0.000) 0.272 28.983 ( 0.086 -0.070 0.000) 0.110 31.696 ( -1.038 7.686 0.000) 7.756 32.141 ( 0.264 6.924 0.000) 6.929 32.575 ( 1.301 -9.875 0.000) 9.960 32.594 ( 4.057 7.265 0.000) 8.321 32.700 ( -2.353 8.219 0.000) 8.550 35.390 ( -0.786 -10.860 0.000) 10.888 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -0.000 29.410 0.000) 29.410 2.038 ( -0.000 31.614 0.000) 31.614 2.751 ( -0.000 18.924 0.000) 18.924 3.764 ( -0.000 51.867 0.000) 51.867 3.936 ( 0.000 -18.232 0.000) 18.232 4.104 ( 0.000 -17.548 0.000) 17.548 4.117 ( 0.000 -18.347 0.000) 18.347 4.369 ( -0.000 12.679 0.000) 12.679 4.640 ( 0.000 -10.598 0.000) 10.598 5.059 ( -0.000 3.928 0.000) 3.928 5.156 ( -0.000 26.500 0.000) 26.500 6.276 ( -0.000 6.622 0.000) 6.622 6.408 ( 0.000 -2.572 0.000) 2.572 6.522 ( 0.000 -2.136 0.000) 2.136 6.824 ( 0.000 -7.518 0.000) 7.518 7.663 ( -0.000 0.210 0.000) 0.210 7.954 ( -0.000 1.170 0.000) 1.170 9.099 ( 0.000 -37.914 0.000) 37.914 11.732 ( -0.000 0.952 0.000) 0.952 12.108 ( -0.000 6.069 0.000) 6.069 14.224 ( 0.000 -0.435 0.000) 0.435 14.445 ( -0.000 1.460 0.000) 1.460 16.991 ( -0.000 5.658 0.000) 5.658 17.192 ( 0.000 -0.524 0.000) 0.524 17.336 ( -0.000 0.808 0.000) 0.808 17.630 ( 0.000 -5.770 0.000) 5.770 19.461 ( -0.000 2.114 0.000) 2.114 19.934 ( 0.000 -2.712 0.000) 2.712 28.922 ( -0.000 0.913 0.000) 0.913 28.989 ( 0.000 -0.471 0.000) 0.471 31.575 ( -0.000 7.553 0.000) 7.553 32.039 ( -0.000 6.603 0.000) 6.603 32.541 ( -0.000 9.096 0.000) 9.096 32.542 ( -0.000 4.927 0.000) 4.927 32.733 ( 0.000 -9.983 0.000) 9.983 35.533 ( 0.000 -8.595 0.000) 8.595 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 16.386 -0.000 0.000) 16.386 2.332 ( 24.945 -0.000 0.000) 24.945 3.421 ( -20.285 0.000 0.000) 20.285 4.177 ( -14.398 0.000 0.000) 14.398 4.247 ( 22.778 -0.000 0.000) 22.778 4.285 ( 11.418 -0.000 0.000) 11.418 4.286 ( -14.130 0.000 0.000) 14.130 4.390 ( 35.045 -0.000 0.000) 35.045 5.041 ( -0.726 0.000 0.000) 0.726 5.185 ( -7.744 0.000 0.000) 7.744 5.199 ( 4.655 -0.000 0.000) 4.655 5.514 ( -11.918 0.000 0.000) 11.918 5.770 ( 1.140 -0.000 0.000) 1.140 6.531 ( -36.539 0.000 0.000) 36.539 7.043 ( -3.740 0.000 0.000) 3.740 7.072 ( -7.028 0.000 0.000) 7.028 7.723 ( 0.725 -0.000 0.000) 0.725 7.911 ( 1.158 -0.000 0.000) 1.158 11.788 ( 1.175 -0.000 0.000) 1.175 12.265 ( 6.893 -0.000 0.000) 6.893 14.358 ( 4.040 -0.000 0.000) 4.040 14.827 ( 6.052 -0.000 0.000) 6.052 16.885 ( 1.870 -0.000 0.000) 1.870 17.223 ( -1.581 0.000 0.000) 1.581 17.544 ( -3.715 0.000 0.000) 3.715 17.763 ( -1.427 0.000 0.000) 1.427 19.293 ( 1.622 -0.000 0.000) 1.622 19.495 ( 1.965 -0.000 0.000) 1.965 28.891 ( 0.139 -0.000 0.000) 0.139 28.998 ( -0.060 0.000 0.000) 0.060 31.529 ( 4.061 -0.000 0.000) 4.061 32.495 ( 7.879 -0.000 0.000) 7.879 32.716 ( -6.725 0.000 0.000) 6.725 32.812 ( 10.124 -0.000 0.000) 10.124 33.149 ( 2.804 -0.000 0.000) 2.804 34.544 ( -7.940 0.000 0.000) 7.940 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 14.619 -9.318 0.000) 17.336 2.786 ( 21.105 -19.391 0.000) 28.661 3.185 ( -16.832 -2.323 0.000) 16.992 3.877 ( -13.693 10.149 0.000) 17.044 4.186 ( -14.426 -7.007 0.000) 16.037 4.402 ( 18.684 1.975 0.000) 18.789 4.480 ( -1.078 0.192 0.000) 1.094 4.700 ( -4.985 22.924 0.000) 23.460 4.810 ( 24.844 -1.764 0.000) 24.907 4.938 ( -30.548 0.392 0.000) 30.551 5.426 ( -3.073 -23.791 0.000) 23.989 5.580 ( -1.922 4.049 0.000) 4.482 5.744 ( 0.929 -6.575 0.000) 6.640 6.093 ( -5.077 4.695 0.000) 6.915 6.986 ( -4.571 2.036 0.000) 5.004 7.171 ( -12.920 -20.641 0.000) 24.351 7.727 ( 0.783 0.676 0.000) 1.035 7.928 ( 1.004 -0.346 0.000) 1.062 11.803 ( 0.954 -0.002 0.000) 0.954 12.345 ( 6.032 0.891 0.000) 6.098 14.386 ( 3.965 3.157 0.000) 5.068 14.879 ( 6.001 3.810 0.000) 7.108 16.923 ( 1.709 -1.960 0.000) 2.600 17.205 ( -1.743 -0.463 0.000) 1.803 17.485 ( -2.873 1.681 0.000) 3.329 17.728 ( -1.397 2.243 0.000) 2.643 19.323 ( 1.503 -1.406 0.000) 2.058 19.535 ( 1.174 -2.254 0.000) 2.541 28.897 ( 0.175 -0.443 0.000) 0.476 28.997 ( -0.017 0.120 0.000) 0.121 31.601 ( 3.843 -2.720 0.000) 4.708 32.555 ( 4.608 2.725 0.000) 5.353 32.613 ( -6.032 2.581 0.000) 6.561 32.943 ( 9.554 0.819 0.000) 9.589 33.095 ( 5.131 11.717 0.000) 12.791 34.541 ( -8.958 -12.842 0.000) 15.658 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 12.724 -15.552 0.000) 20.094 3.085 ( -9.404 -7.827 0.000) 12.235 3.401 ( 16.496 -28.874 0.000) 33.254 3.583 ( -9.377 8.313 0.000) 12.531 4.073 ( -11.233 1.290 0.000) 11.306 4.166 ( -19.864 16.202 0.000) 25.634 4.326 ( -9.232 13.085 0.000) 16.014 4.459 ( -26.034 8.258 0.000) 27.313 4.737 ( 12.444 -9.543 0.000) 15.682 5.072 ( 14.489 1.750 0.000) 14.594 5.460 ( -9.169 -10.430 0.000) 13.888 5.728 ( -1.761 -21.099 0.000) 21.172 6.018 ( 10.454 -10.539 0.000) 14.845 6.130 ( 6.808 -1.557 0.000) 6.984 6.862 ( -5.945 5.426 0.000) 8.049 7.258 ( -16.462 -17.096 0.000) 23.734 7.725 ( 0.793 1.002 0.000) 1.278 7.945 ( 0.724 -0.360 0.000) 0.808 11.810 ( 0.511 0.328 0.000) 0.607 12.392 ( 4.586 2.212 0.000) 5.091 14.372 ( 3.274 5.072 0.000) 6.037 14.870 ( 5.055 7.093 0.000) 8.710 16.985 ( 1.400 -3.544 0.000) 3.810 17.191 ( -1.563 -0.508 0.000) 1.643 17.429 ( -1.462 1.972 0.000) 2.454 17.663 ( -1.277 4.112 0.000) 4.306 19.372 ( 1.058 -2.698 0.000) 2.898 19.590 ( 1.024 -3.366 0.000) 3.518 28.906 ( 0.098 -0.543 0.000) 0.551 28.995 ( 0.096 0.129 0.000) 0.161 31.705 ( 3.228 -4.800 0.000) 5.784 32.491 ( -4.669 4.155 0.000) 6.250 32.536 ( 1.593 5.278 0.000) 5.513 32.969 ( 8.286 12.028 0.000) 14.606 33.044 ( 6.402 4.038 0.000) 7.569 34.649 ( -8.707 -16.686 0.000) 18.821 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 12.233 -20.319 0.000) 23.717 3.160 ( -4.488 -13.289 0.000) 14.027 3.406 ( -1.127 6.492 0.000) 6.589 3.609 ( -21.877 18.723 0.000) 28.794 3.812 ( -4.690 17.309 0.000) 17.933 3.864 ( -16.097 -0.543 0.000) 16.106 4.140 ( -15.333 -8.079 0.000) 17.332 4.142 ( 4.401 -17.751 0.000) 18.288 5.013 ( 8.667 -4.772 0.000) 9.894 5.140 ( 5.001 5.124 0.000) 7.160 5.642 ( 5.251 -14.696 0.000) 15.606 5.990 ( -0.993 -16.639 0.000) 16.668 6.226 ( 4.566 -0.948 0.000) 4.663 6.261 ( 3.504 -7.785 0.000) 8.537 6.700 ( -6.681 2.942 0.000) 7.300 7.270 ( -16.674 -15.563 0.000) 22.808 7.718 ( 0.676 1.210 0.000) 1.386 7.958 ( 0.462 -0.308 0.000) 0.555 11.805 ( 0.052 0.815 0.000) 0.817 12.397 ( 2.865 3.661 0.000) 4.649 14.327 ( 2.091 5.470 0.000) 5.856 14.806 ( 3.466 8.944 0.000) 9.593 17.059 ( 0.930 -4.152 0.000) 4.255 17.182 ( -0.964 -0.518 0.000) 1.094 17.392 ( -0.217 1.532 0.000) 1.547 17.580 ( -0.945 4.837 0.000) 4.928 19.424 ( 0.474 -2.828 0.000) 2.868 19.662 ( 1.430 -4.329 0.000) 4.559 28.914 ( -0.007 -0.496 0.000) 0.496 28.995 ( 0.163 0.181 0.000) 0.244 31.811 ( 1.891 -4.361 0.000) 4.753 32.385 ( -2.567 3.102 0.000) 4.026 32.455 ( 0.564 6.997 0.000) 7.020 32.904 ( 6.945 10.393 0.000) 12.500 33.040 ( 4.087 6.395 0.000) 7.589 34.798 ( -6.607 -17.115 0.000) 18.346 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 10.735 -22.675 0.000) 25.088 3.066 ( -13.561 22.252 0.000) 26.059 3.236 ( 0.044 12.547 0.000) 12.547 3.349 ( -4.884 -10.419 0.000) 11.507 3.493 ( -15.233 10.473 0.000) 18.486 3.605 ( 2.490 2.762 0.000) 3.719 4.124 ( -11.623 -13.701 0.000) 17.967 4.609 ( 10.547 -17.876 0.000) 20.755 5.013 ( -0.177 10.465 0.000) 10.466 5.154 ( -0.393 -2.503 0.000) 2.534 5.826 ( 4.868 6.841 0.000) 8.396 6.186 ( -0.443 -11.108 0.000) 11.117 6.246 ( 3.209 0.048 0.000) 3.209 6.370 ( 2.842 -2.860 0.000) 4.032 6.665 ( -5.694 -6.469 0.000) 8.618 7.385 ( -10.802 -28.957 0.000) 30.906 7.706 ( 0.404 1.364 0.000) 1.423 7.966 ( 0.221 -0.219 0.000) 0.311 11.789 ( -0.180 1.229 0.000) 1.243 12.359 ( 1.208 4.958 0.000) 5.103 14.273 ( 0.893 4.323 0.000) 4.415 14.705 ( 1.680 9.032 0.000) 9.187 17.120 ( 0.327 -2.495 0.000) 2.516 17.180 ( -0.423 -0.458 0.000) 0.623 17.374 ( 0.260 1.120 0.000) 1.150 17.509 ( -0.373 3.052 0.000) 3.075 19.464 ( 0.219 -1.985 0.000) 1.997 19.749 ( 1.225 -4.792 0.000) 4.946 28.922 ( -0.015 -0.562 0.000) 0.562 28.993 ( 0.106 0.384 0.000) 0.399 31.854 ( 0.131 1.037 0.000) 1.045 32.357 ( 0.599 7.284 0.000) 7.309 32.360 ( -0.276 -2.797 0.000) 2.810 32.828 ( 2.947 8.855 0.000) 9.332 32.965 ( 2.034 9.061 0.000) 9.287 34.982 ( -3.174 -16.407 0.000) 16.712 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -0.000 25.174 0.000) 25.174 2.902 ( -0.000 26.768 0.000) 26.768 3.219 ( -0.000 12.874 0.000) 12.874 3.340 ( 0.000 -21.752 0.000) 21.752 3.543 ( 0.000 -19.833 0.000) 19.833 3.701 ( 0.000 -8.307 0.000) 8.307 4.257 ( 0.000 -14.763 0.000) 14.763 4.792 ( -0.000 15.011 0.000) 15.011 4.803 ( -0.000 8.358 0.000) 8.358 5.150 ( -0.000 1.457 0.000) 1.457 5.650 ( -0.000 13.185 0.000) 13.185 6.303 ( 0.000 -5.073 0.000) 5.073 6.315 ( 0.000 -3.375 0.000) 3.375 6.441 ( 0.000 -3.090 0.000) 3.090 6.672 ( 0.000 -1.940 0.000) 1.940 7.689 ( -0.000 1.341 0.000) 1.341 7.867 ( 0.000 -42.507 0.000) 42.507 7.969 ( -0.000 0.019 0.000) 0.019 11.768 ( -0.000 1.374 0.000) 1.374 12.287 ( -0.000 5.809 0.000) 5.809 14.230 ( -0.000 2.062 0.000) 2.062 14.591 ( -0.000 7.638 0.000) 7.638 17.127 ( -0.000 1.948 0.000) 1.948 17.183 ( 0.000 -0.267 0.000) 0.267 17.361 ( -0.000 0.967 0.000) 0.967 17.496 ( 0.000 -1.673 0.000) 1.673 19.486 ( 0.000 -0.637 0.000) 0.637 19.827 ( 0.000 -4.464 0.000) 4.464 28.930 ( 0.000 -0.452 0.000) 0.452 28.987 ( -0.000 0.425 0.000) 0.425 31.795 ( -0.000 6.126 0.000) 6.126 32.253 ( -0.000 7.506 0.000) 7.506 32.447 ( 0.000 -8.197 0.000) 8.197 32.725 ( -0.000 7.517 0.000) 7.517 32.832 ( -0.000 10.235 0.000) 10.235 35.192 ( 0.000 -14.500 0.000) 14.500 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 13.875 -0.000 0.000) 13.875 2.892 ( 17.642 -0.000 0.000) 17.642 2.946 ( -15.200 0.000 0.000) 15.200 3.798 ( -14.005 0.000 0.000) 14.005 3.910 ( -13.549 0.000 0.000) 13.549 4.444 ( -1.811 0.000 0.000) 1.811 4.463 ( -32.951 0.000 0.000) 32.951 4.688 ( 8.156 -0.000 0.000) 8.156 4.974 ( -0.664 0.000 0.000) 0.664 5.005 ( -5.719 0.000 0.000) 5.719 5.034 ( 0.022 -0.000 0.000) 0.022 5.400 ( -12.121 0.000 0.000) 12.121 5.877 ( 16.856 -0.000 0.000) 16.856 6.113 ( 4.146 -0.000 0.000) 4.146 6.927 ( -4.754 0.000 0.000) 4.754 6.951 ( -3.820 0.000 0.000) 3.820 7.740 ( 0.533 -0.000 0.000) 0.533 7.939 ( 0.957 -0.000 0.000) 0.957 11.815 ( 0.860 -0.000 0.000) 0.860 12.425 ( 5.089 -0.000 0.000) 5.089 14.459 ( 3.469 -0.000 0.000) 3.469 14.985 ( 5.634 -0.000 0.000) 5.634 16.929 ( 1.417 -0.000 0.000) 1.417 17.181 ( -1.476 0.000 0.000) 1.476 17.461 ( -2.481 0.000 0.000) 2.481 17.728 ( -1.188 0.000 0.000) 1.188 19.328 ( 0.904 -0.000 0.000) 0.904 19.532 ( 0.881 -0.000 0.000) 0.881 28.897 ( 0.314 -0.000 0.000) 0.314 28.997 ( -0.009 0.000 0.000) 0.009 31.627 ( 3.217 -0.000 0.000) 3.217 32.559 ( -5.063 0.000 0.000) 5.063 32.611 ( 1.220 -0.000 0.000) 1.220 33.083 ( 10.018 -0.000 0.000) 10.018 33.251 ( 4.669 -0.000 0.000) 4.669 34.326 ( -8.272 0.000 0.000) 8.272 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 11.489 -8.263 0.000) 14.152 2.829 ( -10.243 -6.972 0.000) 12.391 3.233 ( 12.783 -18.209 0.000) 22.247 3.579 ( -7.877 5.282 0.000) 9.485 3.810 ( -13.258 -6.362 0.000) 14.705 3.997 ( -28.103 5.154 0.000) 28.571 4.250 ( -23.157 8.090 0.000) 24.529 4.595 ( -2.936 26.060 0.000) 26.225 4.776 ( 9.788 -4.762 0.000) 10.885 5.045 ( -3.854 -15.991 0.000) 16.448 5.364 ( 4.396 4.034 0.000) 5.967 5.370 ( -1.300 -24.546 0.000) 24.581 6.081 ( 11.080 -1.939 0.000) 11.249 6.200 ( 6.835 -1.131 0.000) 6.928 6.872 ( -3.883 3.787 0.000) 5.424 6.929 ( -6.371 -7.141 0.000) 9.570 7.743 ( 0.393 0.421 0.000) 0.576 7.951 ( 0.668 -0.114 0.000) 0.677 11.822 ( 0.539 0.307 0.000) 0.621 12.472 ( 3.535 1.336 0.000) 3.779 14.474 ( 2.539 3.270 0.000) 4.140 15.018 ( 4.224 4.331 0.000) 6.050 16.960 ( 1.011 -1.954 0.000) 2.200 17.167 ( -1.066 -0.354 0.000) 1.123 17.429 ( -1.442 0.731 0.000) 1.617 17.697 ( -0.909 2.335 0.000) 2.506 19.349 ( 0.467 -1.615 0.000) 1.681 19.557 ( 0.557 -2.226 0.000) 2.295 28.903 ( 0.267 -0.239 0.000) 0.358 28.997 ( 0.046 0.020 0.000) 0.050 31.684 ( 2.343 -2.780 0.000) 3.635 32.485 ( -3.549 2.276 0.000) 4.216 32.596 ( -0.470 2.357 0.000) 2.404 33.181 ( 7.894 2.956 0.000) 8.429 33.232 ( 4.492 9.310 0.000) 10.337 34.324 ( -6.997 -12.180 0.000) 14.047 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 9.199 -16.324 0.000) 18.738 2.864 ( -7.496 -12.292 0.000) 14.398 3.490 ( 3.039 2.808 0.000) 4.138 3.555 ( -11.892 5.391 0.000) 13.057 3.733 ( -0.338 -8.451 0.000) 8.457 3.741 ( -12.131 -8.034 0.000) 14.550 3.860 ( -12.027 -4.953 0.000) 13.007 4.181 ( -2.484 24.954 0.000) 25.078 4.987 ( 3.605 -7.866 0.000) 8.652 5.305 ( 4.840 0.311 0.000) 4.850 5.371 ( 0.282 -20.045 0.000) 20.047 5.698 ( -0.563 -21.413 0.000) 21.420 6.206 ( 3.727 -1.797 0.000) 4.138 6.297 ( 4.373 -1.575 0.000) 4.648 6.731 ( -3.449 8.446 0.000) 9.123 6.950 ( -6.613 -7.424 0.000) 9.942 7.739 ( 0.256 0.737 0.000) 0.780 7.959 ( 0.318 -0.160 0.000) 0.356 11.819 ( 0.176 0.758 0.000) 0.778 12.476 ( 1.716 2.803 0.000) 3.286 14.433 ( 1.269 5.450 0.000) 5.596 14.969 ( 2.137 7.774 0.000) 8.063 17.011 ( 0.520 -3.496 0.000) 3.535 17.164 ( -0.488 -0.583 0.000) 0.761 17.405 ( -0.412 0.840 0.000) 0.935 17.639 ( -0.509 4.174 0.000) 4.205 19.386 ( 0.157 -2.708 0.000) 2.713 19.611 ( 0.488 -4.061 0.000) 4.090 28.909 ( 0.086 -0.284 0.000) 0.297 28.998 ( 0.078 0.013 0.000) 0.079 31.764 ( 1.190 -4.566 0.000) 4.719 32.406 ( -1.694 3.446 0.000) 3.840 32.537 ( -0.523 4.475 0.000) 4.505 33.125 ( 2.878 11.000 0.000) 11.370 33.196 ( 4.207 6.022 0.000) 7.346 34.471 ( -4.064 -16.905 0.000) 17.386 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 0.000 -21.324 0.000) 21.324 3.006 ( 0.000 -15.628 0.000) 15.628 3.269 ( -0.000 17.268 0.000) 17.268 3.472 ( -0.000 6.559 0.000) 6.559 3.540 ( -0.000 10.204 0.000) 10.204 3.812 ( -0.000 20.689 0.000) 20.689 3.818 ( 0.000 -14.008 0.000) 14.008 4.279 ( 0.000 -31.429 0.000) 31.429 5.098 ( 0.000 -4.563 0.000) 4.563 5.197 ( -0.000 11.010 0.000) 11.010 5.796 ( 0.000 -21.523 0.000) 21.523 5.977 ( 0.000 -16.751 0.000) 16.751 6.241 ( 0.000 -1.296 0.000) 1.296 6.357 ( 0.000 -2.405 0.000) 2.405 6.584 ( -0.000 4.618 0.000) 4.618 7.021 ( 0.000 -11.156 0.000) 11.156 7.727 ( -0.000 1.078 0.000) 1.078 7.964 ( 0.000 -0.216 0.000) 0.216 11.806 ( -0.000 1.128 0.000) 1.128 12.436 ( -0.000 4.110 0.000) 4.110 14.356 ( -0.000 5.821 0.000) 5.821 14.854 ( -0.000 9.360 0.000) 9.360 17.071 ( 0.000 -4.023 0.000) 4.023 17.170 ( 0.000 -0.596 0.000) 0.596 17.390 ( -0.000 0.915 0.000) 0.915 17.568 ( -0.000 4.762 0.000) 4.762 19.429 ( 0.000 -2.839 0.000) 2.839 19.683 ( 0.000 -4.972 0.000) 4.972 28.914 ( 0.000 -0.406 0.000) 0.406 28.997 ( -0.000 0.156 0.000) 0.156 31.835 ( 0.000 -3.527 0.000) 3.527 32.352 ( -0.000 1.950 0.000) 1.950 32.457 ( -0.000 5.961 0.000) 5.961 32.987 ( -0.000 10.234 0.000) 10.234 33.115 ( -0.000 8.433 0.000) 8.433 34.704 ( 0.000 -17.857 0.000) 17.857 ======================= 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 6.617 -0.000 0.000) 6.617 2.670 ( -5.511 0.000 0.000) 5.511 3.229 ( 7.958 -0.000 0.000) 7.958 3.505 ( -6.950 0.000 0.000) 6.950 3.644 ( -5.777 0.000 0.000) 5.777 3.707 ( -18.974 0.000 0.000) 18.974 4.059 ( -15.742 0.000 0.000) 15.742 4.841 ( 2.595 -0.000 0.000) 2.595 4.852 ( 0.020 -0.000 0.000) 0.020 4.902 ( -2.066 0.000 0.000) 2.066 5.036 ( 0.086 -0.000 0.000) 0.086 5.446 ( 2.399 -0.000 0.000) 2.399 6.191 ( 6.561 -0.000 0.000) 6.561 6.269 ( 4.567 -0.000 0.000) 4.567 6.823 ( -2.559 0.000 0.000) 2.559 6.875 ( -1.689 0.000 0.000) 1.689 7.749 ( 0.160 -0.000 0.000) 0.160 7.957 ( 0.373 -0.000 0.000) 0.373 11.831 ( 0.313 -0.000 0.000) 0.313 12.518 ( 1.880 -0.000 0.000) 1.880 14.525 ( 1.366 -0.000 0.000) 1.366 15.095 ( 2.373 -0.000 0.000) 2.373 16.955 ( 0.526 -0.000 0.000) 0.526 17.154 ( -0.551 0.000 0.000) 0.551 17.418 ( -0.811 0.000 0.000) 0.811 17.706 ( -0.477 0.000 0.000) 0.477 19.340 ( 0.141 -0.000 0.000) 0.141 19.545 ( 0.188 -0.000 0.000) 0.188 28.905 ( 0.215 -0.000 0.000) 0.215 28.997 ( 0.019 -0.000 0.000) 0.019 31.687 ( 1.226 -0.000 0.000) 1.226 32.466 ( -1.884 0.000 0.000) 1.884 32.604 ( -0.697 0.000 0.000) 0.697 33.289 ( 4.795 -0.000 0.000) 4.795 33.352 ( 2.344 -0.000 0.000) 2.344 34.152 ( -4.136 0.000 0.000) 4.136 ======================= Grid point 61 (36/144) ======================= q-point: (-0.45 -0.55 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.000 -10.152 0.000) 10.152 2.678 ( 0.000 -5.911 0.000) 5.911 3.435 ( 0.000 -19.192 0.000) 19.192 3.504 ( 0.000 -6.121 0.000) 6.121 3.550 ( -0.000 3.386 0.000) 3.386 3.587 ( -0.000 2.415 0.000) 2.415 3.876 ( -0.000 9.401 0.000) 9.401 4.555 ( -0.000 26.727 0.000) 26.727 4.906 ( 0.000 -5.975 0.000) 5.975 4.997 ( 0.000 -18.842 0.000) 18.842 5.354 ( 0.000 -24.559 0.000) 24.559 5.430 ( -0.000 4.175 0.000) 4.175 6.232 ( -0.000 0.255 0.000) 0.255 6.307 ( 0.000 -0.935 0.000) 0.935 6.808 ( -0.000 2.937 0.000) 2.937 6.848 ( 0.000 -0.963 0.000) 0.963 7.748 ( -0.000 0.331 0.000) 0.331 7.960 ( 0.000 -0.059 0.000) 0.059 11.830 ( -0.000 0.428 0.000) 0.428 12.519 ( -0.000 1.480 0.000) 1.480 14.509 ( -0.000 3.342 0.000) 3.342 15.076 ( -0.000 4.547 0.000) 4.547 16.973 ( 0.000 -1.952 0.000) 1.952 17.153 ( 0.000 -0.394 0.000) 0.394 17.410 ( -0.000 0.363 0.000) 0.363 17.685 ( -0.000 2.369 0.000) 2.369 19.353 ( 0.000 -1.643 0.000) 1.643 19.564 ( 0.000 -2.460 0.000) 2.460 28.907 ( 0.000 -0.117 0.000) 0.117 28.998 ( 0.000 -0.037 0.000) 0.037 31.716 ( 0.000 -2.781 0.000) 2.781 32.437 ( -0.000 2.138 0.000) 2.138 32.582 ( -0.000 2.278 0.000) 2.278 33.294 ( -0.000 8.793 0.000) 8.793 33.296 ( -0.000 3.359 0.000) 3.359 34.223 ( 0.000 -12.160 0.000) 12.160 ======================= Grid point 123 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 0.000 18.415) 18.415 0.761 ( 0.000 0.000 36.636) 36.636 1.379 ( 0.000 0.000 64.178) 64.178 1.772 ( 0.000 0.000 -4.923) 4.923 3.668 ( 0.000 0.000 -5.995) 5.995 4.042 ( 0.000 0.000 4.575) 4.575 4.691 ( 0.000 0.000 9.788) 9.788 4.828 ( 0.000 0.000 -2.100) 2.100 4.845 ( 0.000 0.000 0.612) 0.612 4.892 ( 0.000 0.000 -1.469) 1.469 5.247 ( 0.000 0.000 17.776) 17.776 5.998 ( 0.000 0.000 1.222) 1.222 6.476 ( 0.000 0.000 0.447) 0.447 6.564 ( 0.000 0.000 -0.554) 0.554 6.993 ( 0.000 0.000 -0.743) 0.743 7.045 ( 0.000 0.000 1.892) 1.892 7.588 ( 0.000 0.000 -11.881) 11.881 9.691 ( 0.000 0.000 -18.333) 18.333 11.731 ( 0.000 0.000 0.756) 0.756 11.867 ( 0.000 0.000 -0.694) 0.694 14.197 ( 0.000 0.000 2.340) 2.340 14.552 ( 0.000 0.000 -1.646) 1.646 17.157 ( 0.000 0.000 3.269) 3.269 17.244 ( 0.000 0.000 0.090) 0.090 17.285 ( 0.000 0.000 -0.345) 0.345 17.800 ( 0.000 0.000 -3.637) 3.637 19.249 ( 0.000 0.000 0.942) 0.942 19.343 ( 0.000 0.000 -0.065) 0.065 28.883 ( 0.000 0.000 0.225) 0.225 28.990 ( 0.000 0.000 -0.768) 0.768 31.848 ( 0.000 0.000 1.943) 1.943 32.217 ( 0.000 0.000 -1.965) 1.965 32.417 ( 0.000 0.000 1.733) 1.733 32.920 ( 0.000 0.000 -7.301) 7.301 33.298 ( 0.000 0.000 11.727) 11.727 34.548 ( 0.000 0.000 -5.359) 5.359 ======================= Grid point 124 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 32.764 -13.525 13.644) 37.981 1.239 ( 19.241 -26.027 28.097) 42.861 1.645 ( 10.553 -34.579 45.110) 57.810 2.040 ( 24.832 -10.889 -4.747) 27.527 3.791 ( 0.715 -18.143 -7.638) 19.699 4.111 ( 7.119 -2.683 4.336) 8.757 4.574 ( -9.825 5.291 6.585) 12.957 4.735 ( -2.533 9.029 1.221) 9.457 4.883 ( 0.342 0.229 3.239) 3.265 4.990 ( 10.791 4.456 -3.739) 12.259 5.186 ( 3.244 12.164 15.733) 20.150 5.831 ( -4.139 -3.013 7.255) 8.879 6.452 ( -3.296 0.577 0.862) 3.456 6.593 ( 3.549 7.072 -2.828) 8.403 7.006 ( 3.460 -0.544 -1.771) 3.925 7.384 ( 4.012 -15.326 -19.267) 24.944 7.610 ( 0.055 -4.113 -11.433) 12.150 9.669 ( -24.761 -15.622 -12.261) 31.741 11.744 ( 1.885 0.679 1.317) 2.397 11.902 ( 2.281 -2.433 -0.705) 3.409 14.178 ( 0.586 2.131 1.836) 2.873 14.543 ( 0.943 2.259 -1.892) 3.094 16.954 ( -7.214 1.605 9.546) 12.073 17.288 ( -0.270 -0.539 -0.486) 0.774 17.367 ( 12.394 7.348 -3.194) 14.758 17.801 ( -0.480 0.708 -2.703) 2.835 19.336 ( -2.221 -1.673 -0.266) 2.794 19.472 ( -5.659 -21.362 -11.308) 24.824 28.888 ( 0.001 -0.425 0.217) 0.477 28.991 ( 0.006 -0.043 -0.739) 0.740 31.870 ( -13.278 6.247 15.601) 21.418 31.901 ( -4.673 1.473 7.888) 9.286 32.460 ( 3.533 0.318 2.353) 4.256 32.564 ( 16.338 28.451 3.577) 33.003 33.171 ( -0.703 5.101 12.609) 13.619 35.025 ( -7.879 -31.535 -25.805) 41.502 ======================= Grid point 125 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 19.752 -21.775 16.493) 33.709 1.757 ( 19.132 -18.964 31.226) 41.240 2.570 ( 25.243 -46.727 13.814) 54.876 2.596 ( 30.150 -12.482 -4.215) 32.902 4.177 ( 3.301 -20.565 -8.891) 22.646 4.258 ( 2.060 1.437 2.461) 3.516 4.366 ( -0.422 -3.539 4.613) 5.829 4.511 ( -6.203 12.330 2.828) 14.089 4.766 ( -4.243 13.173 18.158) 22.831 4.971 ( 2.319 3.842 4.839) 6.600 5.143 ( 11.028 6.304 -2.555) 12.957 5.947 ( -2.117 -13.599 2.198) 13.937 6.370 ( -6.526 1.474 1.524) 6.862 6.475 ( -4.834 6.898 -1.558) 8.566 7.074 ( 4.372 -0.777 -0.441) 4.462 7.490 ( 1.386 0.207 -16.968) 17.026 7.709 ( 0.740 -6.307 -11.662) 13.279 9.487 ( -24.459 -3.960 -4.312) 25.150 11.760 ( 1.845 0.308 2.058) 2.781 11.982 ( 3.132 -3.191 -0.498) 4.500 14.159 ( 0.268 1.169 1.012) 1.569 14.513 ( 1.828 4.121 -1.926) 4.902 16.920 ( -1.434 -2.713 5.487) 6.286 17.292 ( -0.618 -0.714 -0.840) 1.264 17.385 ( 6.688 6.266 -1.863) 9.352 17.762 ( -0.817 3.223 -1.245) 3.551 19.338 ( -2.829 -3.197 -0.162) 4.273 19.630 ( -6.338 -11.721 -9.112) 16.143 28.895 ( 0.030 -0.589 0.069) 0.594 28.990 ( -0.097 0.146 -0.682) 0.704 31.643 ( -4.269 1.549 16.612) 17.222 31.993 ( 6.014 -2.080 1.348) 6.505 32.429 ( 3.973 7.716 -1.594) 8.824 32.526 ( 6.916 3.961 -0.875) 8.018 33.087 ( -2.180 3.536 13.992) 14.595 35.221 ( -8.675 -14.109 -18.220) 24.623 ======================= Grid point 126 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 7.948 -23.124 25.018) 34.983 2.370 ( 27.330 -21.074 13.616) 37.100 3.137 ( 25.117 -11.211 -4.541) 27.878 3.488 ( 15.763 -31.679 -0.394) 35.386 3.974 ( -7.333 5.810 7.788) 12.173 4.204 ( -7.657 13.807 10.627) 19.031 4.457 ( 2.305 0.650 7.735) 8.097 4.483 ( 1.542 6.244 14.402) 15.773 4.753 ( 9.036 -9.528 -9.359) 16.125 4.995 ( 5.111 -0.586 2.891) 5.901 5.264 ( 8.222 -10.379 -3.486) 13.692 6.109 ( -2.270 -10.500 -0.790) 10.771 6.266 ( -5.677 -0.195 2.871) 6.364 6.287 ( -8.312 5.818 -0.572) 10.163 7.114 ( 1.970 1.607 0.840) 2.677 7.488 ( 0.685 1.288 -15.836) 15.903 7.795 ( 0.868 -4.343 -9.040) 10.066 9.174 ( -20.352 6.037 -0.249) 21.230 11.784 ( 1.783 -0.266 2.248) 2.882 12.068 ( 2.892 -2.886 -0.565) 4.125 14.151 ( 0.181 0.238 0.813) 0.866 14.476 ( 2.233 4.250 -1.969) 5.189 16.966 ( 0.250 -4.052 2.610) 4.826 17.290 ( -1.001 -0.482 -1.321) 1.726 17.367 ( 3.536 4.910 -0.664) 6.087 17.690 ( -1.155 4.716 -0.366) 4.869 19.360 ( -1.777 -3.841 -0.201) 4.237 19.679 ( -5.227 -5.635 -6.236) 9.898 28.906 ( 0.132 -0.723 -0.319) 0.801 28.983 ( -0.210 0.436 -0.686) 0.839 31.647 ( 1.077 -3.376 9.484) 10.125 32.088 ( 4.998 -0.684 1.423) 5.242 32.376 ( 1.529 4.602 -4.580) 6.670 32.533 ( 1.800 3.787 -4.294) 6.002 33.034 ( -0.122 0.816 18.493) 18.511 35.278 ( -5.762 -7.214 -13.774) 16.582 ======================= Grid point 127 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 4.768 -21.888 20.806) 30.573 3.026 ( 26.037 -18.862 7.522) 33.020 3.409 ( -3.958 7.433 -5.154) 9.873 3.626 ( 6.374 -3.758 0.420) 7.412 3.882 ( -2.621 10.545 17.417) 20.528 4.148 ( -0.364 5.898 8.128) 10.049 4.437 ( 5.933 -10.356 7.172) 13.924 4.687 ( 11.643 -13.340 10.217) 20.443 4.836 ( 1.916 1.538 -3.572) 4.336 4.996 ( -1.862 4.045 -0.543) 4.486 5.626 ( 6.525 -13.935 -4.684) 16.084 6.108 ( -5.104 2.112 -1.651) 5.765 6.187 ( -0.627 -5.384 -2.843) 6.120 6.305 ( -0.231 -7.203 3.923) 8.205 7.071 ( -1.743 4.036 0.976) 4.504 7.476 ( 0.307 1.217 -15.992) 16.041 7.874 ( 1.887 -4.568 -4.977) 7.014 8.802 ( -15.876 11.581 1.256) 19.691 11.810 ( 1.307 -0.404 2.314) 2.688 12.136 ( 1.986 -1.971 -0.790) 2.908 14.155 ( 0.235 -0.269 0.820) 0.894 14.449 ( 1.844 3.052 -1.952) 4.065 17.032 ( 0.728 -3.613 0.077) 3.686 17.282 ( -1.214 -0.474 -1.605) 2.067 17.341 ( 1.881 3.089 0.949) 3.739 17.599 ( -1.351 5.033 0.185) 5.214 19.401 ( -0.394 -3.403 -0.357) 3.444 19.672 ( -3.972 -1.991 -4.529) 6.345 28.918 ( 0.140 -0.651 -0.582) 0.885 28.973 ( -0.183 0.519 -0.905) 1.059 31.741 ( 2.691 -5.195 5.322) 7.909 32.142 ( 3.386 0.646 1.274) 3.675 32.332 ( -0.487 2.226 -4.533) 5.073 32.456 ( -2.292 5.581 -5.533) 8.186 33.061 ( 2.445 -1.602 19.674) 19.890 35.297 ( -3.181 -3.522 -11.615) 12.547 ======================= Grid point 128 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 2.541 -14.720 11.321) 18.743 3.163 ( -3.537 8.725 -1.326) 9.508 3.530 ( -1.547 6.665 25.985) 26.871 3.611 ( 16.860 -13.420 6.739) 22.578 3.897 ( -1.588 1.013 6.632) 6.894 4.029 ( -1.557 4.405 2.189) 5.159 4.560 ( 4.710 -4.085 0.333) 6.244 4.785 ( -4.808 8.809 -0.703) 10.060 4.832 ( 0.313 1.107 -1.973) 2.284 5.136 ( 4.537 -14.781 9.219) 18.002 5.716 ( -0.515 1.536 0.625) 1.736 6.072 ( -0.592 -0.914 -1.868) 2.162 6.320 ( 2.546 -5.194 -6.776) 8.909 6.391 ( 0.691 -2.638 4.371) 5.152 6.993 ( -1.779 1.633 -2.521) 3.491 7.463 ( 0.057 0.653 -16.370) 16.383 7.986 ( 3.106 -5.063 1.852) 6.222 8.466 ( -8.580 9.152 -0.535) 12.556 11.827 ( 0.479 -0.178 2.345) 2.400 12.174 ( 0.702 -0.697 -0.954) 1.374 14.162 ( 0.117 -0.187 0.840) 0.869 14.435 ( 0.719 1.099 -1.908) 2.317 17.078 ( 0.365 -1.362 -2.163) 2.582 17.276 ( -0.610 -0.382 -1.764) 1.905 17.332 ( 0.833 0.591 2.929) 3.102 17.522 ( -0.804 2.755 0.327) 2.888 19.439 ( 0.211 -1.519 -0.560) 1.633 19.647 ( -1.700 -0.243 -3.630) 4.016 28.927 ( 0.044 -0.272 -0.469) 0.544 28.966 ( -0.054 0.238 -1.341) 1.363 31.841 ( 1.693 -3.138 2.988) 4.652 32.164 ( 1.558 0.636 0.478) 1.749 32.306 ( -0.323 -0.030 -3.724) 3.738 32.346 ( -2.378 3.824 -3.927) 5.975 33.111 ( 1.341 -0.928 18.609) 18.680 35.303 ( -1.014 -1.054 -10.685) 10.784 ======================= Grid point 135 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 21.942 -0.000 23.313) 32.015 1.420 ( 11.024 -0.000 52.687) 53.828 1.760 ( 56.093 -0.000 11.328) 57.226 2.398 ( 39.492 -0.000 -3.083) 39.612 3.679 ( 4.475 -0.000 -9.992) 10.949 4.229 ( 13.472 -0.000 4.009) 14.056 4.448 ( -14.722 0.000 4.511) 15.397 4.761 ( -6.262 0.000 0.242) 6.266 4.860 ( -2.237 0.000 6.651) 7.017 5.234 ( -1.031 0.000 15.337) 15.372 5.260 ( 12.876 -0.000 -12.699) 18.085 5.733 ( -9.007 0.000 7.467) 11.700 6.395 ( -6.311 0.000 2.471) 6.777 6.832 ( 2.742 -0.000 -19.035) 19.232 7.088 ( 2.316 -0.000 1.298) 2.654 7.219 ( 11.176 -0.000 -13.692) 17.673 7.585 ( -0.196 0.000 -11.714) 11.716 9.104 ( -29.874 0.000 12.407) 32.348 11.776 ( 1.473 -0.000 2.859) 3.216 11.926 ( 4.349 -0.000 -0.656) 4.398 14.220 ( 1.759 -0.000 2.327) 2.917 14.580 ( 2.206 -0.000 -1.707) 2.789 16.885 ( -3.455 0.000 6.948) 7.760 17.275 ( -0.681 0.000 -0.400) 0.790 17.574 ( 4.816 -0.000 -9.412) 10.573 17.789 ( -0.842 0.000 -3.679) 3.774 19.244 ( -0.191 0.000 0.384) 0.429 19.315 ( 0.489 -0.000 -2.896) 2.937 28.886 ( 0.158 -0.000 0.228) 0.277 28.991 ( 0.053 -0.000 -0.757) 0.759 31.687 ( -12.838 0.000 19.173) 23.074 31.960 ( 7.965 -0.000 1.067) 8.036 32.502 ( 3.378 -0.000 5.001) 6.035 32.914 ( -0.397 0.000 -5.875) 5.888 33.257 ( -2.934 0.000 10.837) 11.227 34.653 ( 1.133 -0.000 -12.837) 12.887 ======================= Grid point 136 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 17.069 -10.762 29.713) 35.917 1.722 ( 16.294 -21.048 34.796) 43.810 2.619 ( 51.263 -15.142 4.696) 53.658 2.939 ( 37.699 -1.564 -2.240) 37.798 3.931 ( 9.119 -20.604 -11.538) 25.314 4.202 ( -16.553 3.899 3.305) 17.325 4.456 ( 17.332 -2.267 3.164) 17.763 4.577 ( -8.541 9.356 2.024) 12.829 4.819 ( -5.437 1.091 9.210) 10.750 5.065 ( -2.398 11.662 10.225) 15.694 5.414 ( 9.659 6.064 -4.752) 12.355 5.702 ( -5.235 -11.672 4.608) 13.597 6.282 ( -9.962 0.648 3.750) 10.664 6.621 ( -2.237 19.015 -8.109) 20.793 7.095 ( 1.763 -0.928 -1.521) 2.507 7.477 ( 1.621 -7.885 -17.563) 19.320 7.611 ( -0.181 -5.681 -11.771) 13.072 8.888 ( -31.125 -19.163 9.903) 37.869 11.789 ( 1.354 0.385 3.489) 3.762 12.004 ( 5.336 -1.330 -0.514) 5.523 14.220 ( 2.569 3.287 2.243) 4.736 14.597 ( 3.171 2.642 -1.855) 4.525 16.876 ( -0.128 -1.672 4.251) 4.570 17.271 ( -0.844 -0.658 -0.585) 1.220 17.548 ( 1.919 6.148 -5.310) 8.347 17.775 ( -1.515 0.648 -2.859) 3.300 19.262 ( -1.335 -2.211 -0.171) 2.588 19.413 ( 0.218 -9.458 -5.838) 11.117 28.890 ( 0.168 -0.291 0.154) 0.370 28.991 ( -0.007 0.097 -0.729) 0.735 31.591 ( -3.136 -0.792 14.236) 14.599 32.079 ( 9.153 -0.173 0.091) 9.155 32.541 ( 4.130 2.118 2.454) 5.250 32.806 ( 4.517 13.669 -3.415) 14.795 33.119 ( -3.152 7.143 12.462) 14.706 34.833 ( -6.375 -20.099 -13.369) 24.967 ======================= Grid point 137 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 10.303 -15.871 34.698) 39.522 2.359 ( 22.920 -26.707 14.247) 37.968 3.362 ( 28.659 -6.827 -1.811) 29.516 3.467 ( 31.433 -9.616 -2.979) 33.006 3.930 ( -8.375 1.437 7.852) 11.570 4.256 ( -9.183 7.408 3.301) 12.251 4.393 ( 4.638 -12.012 -4.552) 13.657 4.621 ( -5.614 13.230 16.211) 21.665 4.802 ( 15.912 -5.693 -2.444) 17.076 4.972 ( 2.387 -7.724 4.480) 9.243 5.369 ( 4.804 11.091 -2.076) 12.264 5.876 ( -3.112 -16.219 0.919) 16.540 6.149 ( -10.070 -2.022 4.533) 11.227 6.312 ( -8.340 12.355 -3.665) 15.350 7.117 ( -1.497 -0.893 -0.553) 1.829 7.514 ( 0.477 0.815 -15.093) 15.123 7.718 ( -0.397 -7.208 -11.432) 13.521 8.756 ( -29.266 -14.979 5.899) 33.402 11.804 ( 1.383 0.009 3.268) 3.549 12.092 ( 5.195 -1.071 -0.537) 5.331 14.203 ( 2.926 3.588 1.956) 5.027 14.586 ( 3.790 4.862 -2.012) 6.484 16.921 ( 1.098 -3.236 2.593) 4.289 17.269 ( -1.104 -0.612 -0.987) 1.602 17.478 ( 0.701 5.524 -2.909) 6.282 17.726 ( -1.923 2.843 -1.740) 3.848 19.292 ( -0.022 -3.156 -0.348) 3.175 19.529 ( -1.663 -7.265 -5.708) 9.388 28.899 ( 0.190 -0.558 -0.136) 0.605 28.987 ( -0.106 0.335 -0.730) 0.810 31.612 ( 1.286 -3.209 9.608) 10.211 32.183 ( 7.932 1.425 -0.180) 8.061 32.518 ( 3.035 7.512 -5.001) 9.521 32.684 ( 4.998 11.995 -0.849) 13.022 33.027 ( -1.810 0.110 16.345) 16.445 35.006 ( -7.954 -16.114 -11.959) 21.586 ======================= Grid point 138 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 7.791 -18.343 27.756) 34.170 3.045 ( 22.964 -24.493 7.601) 34.424 3.465 ( -7.855 10.068 -1.998) 12.925 3.729 ( 15.234 0.018 -3.118) 15.550 3.985 ( -1.967 6.961 10.518) 12.765 4.244 ( 6.097 3.426 10.219) 12.382 4.391 ( 5.007 -4.529 10.947) 12.862 4.584 ( 2.190 -10.314 0.359) 10.550 4.842 ( -3.137 -0.510 2.547) 4.073 5.123 ( -2.475 13.171 -0.411) 13.408 5.490 ( 11.533 -18.464 -5.829) 22.536 6.047 ( -1.661 -9.140 -2.964) 9.750 6.065 ( -7.962 -0.442 -1.351) 8.087 6.162 ( -2.412 -8.560 5.336) 10.371 7.065 ( -5.312 2.015 0.998) 5.768 7.501 ( 0.333 1.488 -15.318) 15.394 7.811 ( 0.150 -6.256 -7.931) 10.102 8.560 ( -24.697 -6.433 4.228) 25.869 11.821 ( 0.978 -0.135 2.961) 3.121 12.164 ( 4.347 -0.083 -0.792) 4.419 14.192 ( 2.685 2.845 1.629) 4.238 14.556 ( 3.817 5.879 -2.097) 7.316 16.992 ( 1.500 -3.809 1.139) 4.249 17.259 ( -1.399 -0.366 -1.239) 1.904 17.410 ( 0.017 4.166 -1.105) 4.310 17.646 ( -2.056 4.237 -0.986) 4.812 19.351 ( 1.106 -3.655 -0.417) 3.842 19.588 ( -1.613 -3.986 -4.585) 6.286 28.910 ( 0.139 -0.672 -0.431) 0.810 28.979 ( -0.095 0.507 -0.882) 1.022 31.704 ( 3.027 -4.890 6.264) 8.504 32.241 ( 6.263 3.257 0.131) 7.060 32.431 ( 2.453 7.997 -6.103) 10.355 32.552 ( 0.473 10.568 -2.210) 10.807 33.056 ( 1.592 -2.694 17.944) 18.215 35.112 ( -7.085 -11.957 -10.708) 17.545 ======================= Grid point 139 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 6.456 -17.831 17.877) 26.061 3.242 ( -3.595 6.808 -0.376) 7.708 3.630 ( 0.490 2.676 11.432) 11.751 3.664 ( 17.409 -7.792 10.964) 21.999 3.966 ( -1.248 9.660 7.427) 12.249 4.055 ( -4.667 7.009 5.974) 10.324 4.546 ( 4.752 -6.404 -3.072) 8.546 4.739 ( -12.788 1.369 0.725) 12.881 4.803 ( -7.997 2.551 2.477) 8.752 5.018 ( 9.528 -13.195 6.921) 17.686 5.709 ( -0.123 -2.132 -1.918) 2.870 6.035 ( 0.166 -3.497 -2.650) 4.391 6.231 ( 1.504 -10.494 -5.515) 11.950 6.315 ( 1.376 -9.525 4.329) 10.552 6.951 ( -6.207 0.793 -0.215) 6.261 7.480 ( -0.101 1.495 -16.164) 16.234 7.926 ( 1.820 -7.823 -1.723) 8.215 8.327 ( -18.923 -2.162 1.958) 19.147 11.830 ( 0.235 0.078 2.717) 2.729 12.204 ( 3.067 1.234 -1.090) 3.481 14.187 ( 1.984 2.071 1.280) 3.140 14.515 ( 3.151 5.751 -2.109) 6.889 17.061 ( 1.337 -2.610 -0.727) 3.021 17.250 ( -1.224 -1.068 -0.724) 1.778 17.361 ( -0.022 2.302 0.451) 2.346 17.557 ( -1.730 4.050 -0.420) 4.424 19.417 ( 1.293 -2.719 -0.509) 3.053 19.619 ( 0.136 -2.128 -3.625) 4.205 28.921 ( 0.017 -0.555 -0.453) 0.716 28.971 ( 0.026 0.476 -1.225) 1.315 31.815 ( 2.723 -4.220 3.736) 6.260 32.248 ( 3.899 4.865 0.701) 6.274 32.355 ( 0.002 5.239 -6.729) 8.528 32.425 ( 3.532 7.856 -0.865) 8.656 33.106 ( 0.545 -1.340 17.263) 17.323 35.182 ( -5.601 -9.087 -10.186) 14.755 ======================= Grid point 140 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 5.431 -6.122 8.049) 11.478 3.145 ( 1.675 3.860 0.840) 4.291 3.514 ( 1.577 1.769 29.709) 29.804 3.614 ( -17.603 16.612 6.316) 25.014 3.925 ( -5.994 -5.538 0.061) 8.161 3.989 ( 4.800 6.901 4.081) 9.344 4.496 ( -9.402 -2.490 3.284) 10.266 4.710 ( -1.147 -7.151 -1.757) 7.452 4.765 ( 0.649 -1.016 1.491) 1.917 5.242 ( 1.693 -0.824 5.517) 5.829 5.695 ( -0.668 -0.053 0.848) 1.081 6.083 ( 1.578 -0.866 -1.608) 2.413 6.324 ( -1.844 -1.053 -6.014) 6.378 6.383 ( -1.267 -1.253 4.664) 4.993 6.934 ( -2.850 -5.250 -3.686) 7.019 7.459 ( -0.570 0.442 -17.085) 17.100 7.996 ( -3.309 2.109 2.264) 4.531 8.281 ( -4.310 -18.535 0.003) 19.030 11.824 ( -0.587 0.478 2.509) 2.621 12.206 ( 1.601 2.629 -1.286) 3.337 14.182 ( 1.286 1.527 0.857) 2.173 14.471 ( 1.979 4.613 -2.113) 5.446 17.093 ( 0.746 0.188 -1.988) 2.132 17.262 ( -0.730 -1.925 0.263) 2.075 17.335 ( -0.251 1.555 1.211) 1.987 17.504 ( -0.501 0.267 0.012) 0.567 19.453 ( 0.745 -0.252 -0.460) 0.911 19.667 ( 2.801 -1.778 -3.328) 4.699 28.927 ( -0.037 -0.229 -0.370) 0.437 28.967 ( 0.131 0.221 -1.392) 1.415 31.862 ( -0.168 1.205 2.642) 2.909 32.201 ( 1.493 5.475 0.630) 5.709 32.311 ( 0.111 -0.663 -6.128) 6.164 32.416 ( 7.707 4.845 -0.924) 9.150 33.100 ( -2.102 0.740 17.553) 17.694 35.239 ( -3.687 -6.997 -10.453) 13.108 ======================= Grid point 141 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -2.687 21.996 13.354) 25.872 2.985 ( -22.261 19.469 6.595) 30.300 3.357 ( 2.181 -6.118 -1.777) 6.734 3.608 ( -3.565 1.656 3.248) 5.099 3.765 ( -1.442 -6.152 20.801) 21.740 4.029 ( -1.391 -9.970 5.451) 11.447 4.514 ( 1.412 2.304 3.122) 4.129 4.706 ( -6.499 10.946 7.664) 14.859 4.732 ( -7.053 -4.698 -0.105) 8.475 5.095 ( -0.423 12.304 1.697) 12.428 5.686 ( -4.436 3.711 -2.219) 6.194 6.144 ( 5.540 -2.264 -1.136) 6.092 6.253 ( 0.331 3.612 -3.350) 4.937 6.368 ( -0.772 1.842 2.831) 3.465 6.983 ( -3.540 -6.258 -0.324) 7.197 7.456 ( -0.698 -0.859 -17.775) 17.809 7.899 ( -2.952 3.037 -3.960) 5.798 8.634 ( 3.192 -26.412 2.589) 26.730 11.802 ( -1.209 0.829 2.279) 2.709 12.169 ( 0.200 3.872 -1.328) 4.099 14.177 ( 1.134 1.229 0.272) 1.695 14.435 ( 0.661 2.485 -2.137) 3.344 17.078 ( 0.453 2.759 -0.600) 2.860 17.274 ( -2.017 -1.770 1.895) 3.285 17.311 ( 0.572 1.275 -0.793) 1.607 17.540 ( 0.482 -4.367 0.270) 4.402 19.451 ( 1.076 1.806 -0.216) 2.113 19.736 ( 4.292 -0.949 -3.904) 5.879 28.925 ( -0.020 0.366 -0.523) 0.639 28.969 ( 0.222 -0.296 -0.988) 1.055 31.788 ( -2.030 5.396 3.952) 6.990 32.146 ( 0.365 3.855 1.167) 4.044 32.346 ( 1.463 -1.182 -7.268) 7.508 32.464 ( 6.413 1.668 -2.089) 6.948 33.043 ( -3.331 1.261 19.186) 19.514 35.295 ( -1.313 -5.064 -11.562) 12.690 ======================= Grid point 142 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -19.351 25.132 5.816) 32.247 2.424 ( -9.404 24.509 24.249) 35.737 3.045 ( -21.196 16.164 -5.801) 27.279 3.752 ( 5.584 2.588 -3.322) 6.994 4.013 ( 3.606 -1.682 6.832) 7.906 4.100 ( 2.699 -2.163 18.064) 18.392 4.331 ( -2.524 -3.409 18.447) 18.928 4.459 ( -4.763 6.746 5.451) 9.895 4.734 ( -5.357 -4.713 -3.728) 8.050 4.978 ( -0.853 6.376 -0.910) 6.497 5.370 ( -12.224 19.361 -4.664) 23.367 6.246 ( 3.791 3.072 -1.546) 5.119 6.315 ( 5.880 -1.809 0.514) 6.174 6.346 ( 6.106 -1.151 1.868) 6.488 7.008 ( -6.224 -5.507 1.754) 8.493 7.461 ( -0.889 -1.132 -17.951) 18.009 7.833 ( -1.230 2.757 -7.947) 8.501 9.091 ( 6.051 -26.521 0.710) 27.212 11.771 ( -1.390 0.917 1.980) 2.587 12.101 ( -0.839 4.721 -1.263) 4.959 14.176 ( 1.509 1.238 -0.581) 2.036 14.420 ( -0.406 -0.415 -2.106) 2.184 17.031 ( 0.727 4.219 2.612) 5.015 17.264 ( -3.677 -2.121 1.322) 4.446 17.312 ( 0.998 0.541 -1.226) 1.671 17.623 ( 0.490 -5.567 -0.059) 5.588 19.434 ( 1.710 2.802 -0.043) 3.282 19.796 ( 4.731 0.944 -5.410) 7.248 28.917 ( 0.049 0.753 -0.416) 0.861 28.979 ( 0.238 -0.521 -0.637) 0.857 31.686 ( -1.412 4.480 7.214) 8.608 32.083 ( -1.402 4.184 1.913) 4.810 32.369 ( 1.834 0.762 -6.358) 6.661 32.501 ( 1.127 1.186 -4.335) 4.633 33.008 ( -1.338 -1.429 19.700) 19.797 35.354 ( 1.326 -2.758 -13.775) 14.111 ======================= Grid point 143 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -20.002 26.938 5.565) 34.010 1.974 ( -3.440 26.399 31.542) 41.275 2.522 ( -17.235 19.119 -5.166) 26.254 3.130 ( -7.452 52.544 12.543) 54.531 4.216 ( 5.456 -6.881 0.416) 8.791 4.291 ( -2.891 3.428 4.345) 6.244 4.372 ( 4.013 -14.380 4.320) 15.542 4.529 ( 0.824 -8.011 19.394) 21.000 4.661 ( 3.493 10.953 -1.144) 11.553 4.846 ( -7.162 -1.508 2.582) 7.761 5.027 ( -7.616 5.322 -3.189) 9.824 6.145 ( 0.599 10.748 0.838) 10.798 6.415 ( 4.249 -1.935 0.571) 4.703 6.493 ( 6.422 -2.586 -0.364) 6.933 6.990 ( -5.552 -3.254 1.740) 6.667 7.465 ( -0.821 -0.961 -18.287) 18.330 7.774 ( -0.533 3.934 -10.361) 11.095 9.543 ( 7.276 -21.883 -4.663) 23.527 11.743 ( -1.011 0.649 1.582) 1.987 12.015 ( -1.122 4.942 -1.199) 5.207 14.177 ( 1.346 1.378 -1.508) 2.447 14.439 ( -0.666 -3.120 -1.969) 3.749 16.986 ( 1.529 3.415 6.288) 7.317 17.240 ( -4.542 -2.008 0.528) 4.994 17.313 ( 0.429 0.647 -0.799) 1.114 17.707 ( 0.270 -4.984 -0.609) 5.028 19.413 ( 1.508 2.989 -0.061) 3.348 19.824 ( 4.329 3.801 -8.689) 10.425 28.906 ( 0.103 0.781 -0.041) 0.789 28.988 ( 0.120 -0.313 -0.590) 0.679 31.646 ( 0.517 -0.904 13.511) 13.552 31.989 ( -2.318 4.761 2.029) 5.671 32.372 ( 1.548 2.711 -3.091) 4.394 32.457 ( -3.647 1.100 -3.617) 5.253 33.050 ( 0.621 -4.075 16.230) 16.745 35.403 ( 3.167 0.620 -18.043) 18.330 ======================= Grid point 144 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -0.000 29.043 7.838) 30.082 1.556 ( -0.000 26.844 34.839) 43.982 2.104 ( -0.000 19.098 -5.124) 19.774 2.265 ( -0.000 54.687 25.471) 60.328 4.130 ( -0.000 6.019 4.229) 7.356 4.131 ( -0.000 26.141 -8.664) 27.540 4.531 ( 0.000 -8.512 9.190) 12.526 4.596 ( 0.000 -11.914 1.246) 11.979 4.848 ( 0.000 -4.040 -0.648) 4.092 4.900 ( 0.000 -19.829 24.006) 31.137 4.924 ( -0.000 2.810 -2.958) 4.080 5.977 ( -0.000 11.904 2.827) 12.235 6.464 ( 0.000 -0.928 0.450) 1.032 6.556 ( 0.000 -0.681 -0.594) 0.903 6.982 ( 0.000 -0.750 -0.062) 0.752 7.462 ( -0.000 1.216 -19.212) 19.250 7.697 ( -0.000 6.214 -11.820) 13.354 9.858 ( 0.000 -10.209 -15.027) 18.167 11.729 ( -0.000 0.208 1.133) 1.152 11.937 ( -0.000 4.219 -1.062) 4.351 14.169 ( -0.000 0.679 -1.069) 1.267 14.489 ( 0.000 -3.956 -1.955) 4.413 16.979 ( 0.000 -0.659 10.088) 10.110 17.220 ( 0.000 -1.054 0.297) 1.095 17.304 ( -0.000 0.819 -0.586) 1.007 17.772 ( 0.000 -3.416 -1.311) 3.659 19.382 ( -0.000 2.621 -0.229) 2.631 19.766 ( -0.000 10.064 -14.820) 17.914 28.896 ( -0.000 0.661 0.185) 0.686 28.991 ( 0.000 -0.030 -0.667) 0.668 31.771 ( 0.000 -16.497 25.064) 30.006 31.905 ( -0.000 3.816 2.061) 4.337 32.299 ( -0.000 5.379 -2.110) 5.778 32.436 ( 0.000 -1.107 0.099) 1.111 33.118 ( 0.000 -4.049 12.945) 13.563 35.375 ( -0.000 8.875 -25.938) 27.414 ======================= Grid point 147 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 10.381 -0.000 51.967) 52.994 1.743 ( 25.858 -0.000 11.587) 28.335 3.224 ( 51.878 -0.000 2.415) 51.935 3.459 ( 37.937 -0.000 -0.459) 37.939 3.872 ( 9.260 -0.000 -12.840) 15.831 3.990 ( -19.344 0.000 3.268) 19.618 4.532 ( -10.836 0.000 0.845) 10.868 4.659 ( 4.616 -0.000 2.946) 5.476 4.734 ( 6.372 -0.000 6.908) 9.398 5.195 ( -1.874 0.000 12.569) 12.708 5.400 ( -3.494 0.000 0.407) 3.517 5.632 ( 3.177 -0.000 -1.690) 3.598 6.117 ( -15.839 0.000 6.147) 16.989 6.800 ( -5.860 0.000 -19.802) 20.651 7.115 ( -0.611 0.000 1.062) 1.225 7.292 ( -5.759 0.000 -11.598) 12.949 7.582 ( 0.088 -0.000 -11.986) 11.986 8.362 ( -24.442 0.000 16.401) 29.434 11.806 ( 1.036 -0.000 4.197) 4.323 12.075 ( 6.656 -0.000 -0.756) 6.698 14.285 ( 3.200 -0.000 2.290) 3.934 14.667 ( 4.407 -0.000 -1.908) 4.802 16.870 ( 1.032 -0.000 3.206) 3.367 17.254 ( -0.961 0.000 -0.355) 1.025 17.588 ( -2.048 0.000 -4.670) 5.099 17.758 ( -1.482 0.000 -3.988) 4.255 19.251 ( 0.888 -0.000 -0.399) 0.973 19.369 ( 3.003 -0.000 -5.010) 5.841 28.890 ( 0.134 -0.000 0.236) 0.272 28.992 ( -0.004 0.000 -0.726) 0.726 31.563 ( 0.161 -0.000 11.175) 11.176 32.205 ( 9.515 -0.000 -2.161) 9.757 32.628 ( 6.473 -0.000 4.312) 7.778 32.901 ( -0.605 0.000 0.634) 0.876 33.171 ( -2.981 0.000 6.764) 7.391 34.604 ( -4.208 0.000 -10.605) 11.409 ======================= Grid point 148 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 11.759 -5.610 42.251) 44.214 2.261 ( 22.503 -22.282 10.464) 33.352 3.676 ( -5.583 5.262 0.367) 7.681 3.778 ( 21.575 6.310 -0.867) 22.495 3.939 ( 35.013 -7.391 3.026) 35.912 4.173 ( 2.370 -9.394 -7.315) 12.140 4.320 ( -4.926 1.834 1.152) 5.382 4.603 ( -10.222 -3.785 7.194) 13.060 4.955 ( -4.329 15.262 9.725) 18.608 5.012 ( 20.953 -4.727 0.932) 21.499 5.550 ( -7.832 -11.164 1.760) 13.750 5.600 ( 3.399 3.509 0.321) 4.896 5.932 ( -14.410 -5.627 6.188) 16.662 6.425 ( -14.523 20.777 -10.126) 27.297 7.074 ( -3.082 -0.193 -1.615) 3.485 7.419 ( -7.591 -16.987 -12.174) 22.234 7.594 ( -0.480 -2.490 -11.596) 11.871 8.188 ( -18.787 -10.869 11.469) 24.549 11.819 ( 1.080 -0.011 4.040) 4.182 12.164 ( 6.583 0.024 -0.917) 6.647 14.305 ( 3.819 3.270 2.224) 5.498 14.706 ( 5.119 3.212 -2.096) 6.396 16.901 ( 1.614 -1.808 2.524) 3.499 17.244 ( -1.237 -0.515 -0.385) 1.394 17.531 ( -2.319 2.993 -3.265) 4.999 17.729 ( -1.858 1.219 -3.632) 4.258 19.273 ( 1.590 -1.085 -0.503) 1.989 19.444 ( 1.885 -4.263 -4.825) 6.709 28.894 ( 0.120 -0.340 0.119) 0.380 28.990 ( -0.058 0.197 -0.728) 0.757 31.595 ( 2.315 -2.050 8.673) 9.208 32.308 ( 7.316 1.119 -3.962) 8.395 32.666 ( 5.095 6.483 0.109) 8.247 32.908 ( 4.133 1.269 4.806) 6.464 33.034 ( -2.422 9.952 7.509) 12.700 34.662 ( -7.205 -14.655 -9.892) 19.093 ======================= Grid point 149 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 10.175 -11.800 33.881) 37.292 2.906 ( 17.127 -26.968 3.330) 32.120 3.464 ( -8.603 1.895 5.818) 10.557 3.924 ( -7.202 10.664 2.613) 13.131 4.083 ( 18.779 -1.353 0.982) 18.853 4.364 ( -0.709 -2.333 -3.573) 4.326 4.454 ( -4.730 10.953 9.294) 15.123 4.525 ( 20.387 -7.287 2.074) 21.749 4.755 ( -7.465 0.080 7.470) 10.561 5.215 ( -15.285 11.431 2.585) 19.261 5.438 ( 13.828 -10.054 -4.882) 17.780 5.834 ( 1.336 -17.054 1.672) 17.187 5.894 ( -10.306 -5.963 1.426) 11.992 6.064 ( -5.968 2.188 -1.266) 6.481 7.012 ( -5.830 1.323 -0.703) 6.020 7.494 ( -4.076 -4.403 -14.582) 15.769 7.659 ( -4.092 -9.735 -9.105) 13.943 8.121 ( -15.726 -9.347 7.582) 19.803 11.832 ( 0.848 0.066 3.666) 3.763 12.238 ( 5.679 0.923 -1.194) 5.876 14.296 ( 3.910 4.616 2.042) 6.385 14.705 ( 5.197 5.977 -2.291) 8.245 16.961 ( 1.783 -3.182 1.902) 4.113 17.233 ( -1.575 -0.441 -0.498) 1.710 17.455 ( -1.785 3.377 -2.066) 4.343 17.672 ( -2.012 2.995 -2.867) 4.609 19.325 ( 1.983 -2.647 -0.410) 3.333 19.523 ( 0.870 -3.960 -4.121) 5.780 28.903 ( 0.095 -0.573 -0.138) 0.597 28.985 ( -0.042 0.378 -0.829) 0.912 31.679 ( 3.320 -4.012 6.606) 8.411 32.358 ( 4.177 2.366 -4.754) 6.756 32.593 ( 3.174 9.408 -1.066) 9.986 32.796 ( 4.067 16.405 -0.278) 16.904 33.027 ( 2.133 -4.147 13.886) 14.648 34.792 ( -8.603 -16.233 -9.308) 20.595 ======================= Grid point 150 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 8.816 -15.058 23.822) 29.528 3.225 ( -2.765 -4.812 -1.036) 5.646 3.608 ( 3.178 -5.699 1.598) 6.718 3.746 ( 5.737 -6.803 15.741) 18.082 4.102 ( -8.603 14.479 3.929) 17.294 4.142 ( -5.077 13.112 11.730) 18.311 4.473 ( -0.009 -8.632 -4.482) 9.726 4.609 ( -11.864 5.322 2.379) 13.219 4.742 ( -4.755 1.984 3.232) 6.083 4.969 ( 6.238 -5.986 4.706) 9.843 5.629 ( -3.304 -6.833 -4.108) 8.630 5.958 ( 1.283 -10.312 -3.696) 11.029 6.095 ( 4.040 -10.112 -3.663) 11.488 6.162 ( 3.295 -13.313 5.935) 14.944 6.884 ( -7.770 3.123 0.180) 8.376 7.478 ( -3.883 -1.018 -15.656) 16.163 7.756 ( -5.981 -12.581 -4.648) 14.685 8.041 ( -10.998 -3.633 4.290) 12.351 11.837 ( 0.320 0.397 3.305) 3.344 12.280 ( 4.312 2.229 -1.532) 5.090 14.273 ( 3.197 4.676 1.731) 5.923 14.668 ( 4.561 7.627 -2.432) 9.214 17.035 ( 1.699 -3.522 0.996) 4.036 17.219 ( -1.515 -0.598 -0.211) 1.642 17.393 ( -0.847 2.558 -1.097) 2.910 17.593 ( -1.835 4.027 -1.990) 4.852 19.394 ( 1.651 -3.058 -0.340) 3.492 19.589 ( 1.379 -3.318 -3.318) 4.891 28.912 ( 0.016 -0.595 -0.282) 0.658 28.979 ( 0.072 0.446 -1.082) 1.172 31.788 ( 3.134 -4.580 4.618) 7.219 32.347 ( 0.889 3.295 -4.520) 5.664 32.477 ( 1.249 10.487 0.173) 10.562 32.662 ( 8.580 11.936 -0.882) 14.726 33.093 ( 1.027 -1.322 13.450) 13.553 34.910 ( -8.174 -14.759 -9.135) 19.186 ======================= Grid point 151 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 9.479 -16.142 12.987) 22.783 3.255 ( 3.456 3.333 0.698) 4.852 3.538 ( -6.977 -0.416 13.385) 15.100 3.643 ( -16.364 17.588 11.592) 26.674 3.778 ( -9.328 5.593 3.734) 11.499 4.129 ( -15.902 13.989 1.969) 21.270 4.323 ( 9.250 -14.759 10.659) 20.421 4.486 ( -11.729 -8.124 1.264) 14.324 4.876 ( 11.173 0.819 -0.454) 11.212 5.160 ( 1.430 -9.428 3.082) 10.022 5.685 ( 0.549 -3.118 -2.107) 3.803 6.093 ( 3.181 -3.270 -3.015) 5.468 6.244 ( 0.722 -6.550 -0.965) 6.660 6.341 ( -0.213 -3.829 2.395) 4.521 6.788 ( -6.413 -4.868 -2.656) 8.478 7.434 ( -4.858 -1.354 -17.155) 17.881 7.882 ( -10.962 -17.038 1.672) 20.329 7.974 ( -0.830 -1.725 0.592) 2.003 11.828 ( -0.273 0.874 2.983) 3.120 12.283 ( 2.746 3.632 -1.804) 4.898 14.244 ( 2.089 3.890 1.265) 4.593 14.604 ( 3.396 7.951 -2.541) 9.011 17.097 ( 1.454 -1.758 -0.248) 2.295 17.219 ( -1.157 -1.756 0.979) 2.320 17.358 ( -0.028 1.616 -0.615) 1.729 17.518 ( -1.197 2.970 -1.061) 3.374 19.449 ( 0.969 -1.891 -0.220) 2.136 19.664 ( 2.616 -3.405 -2.915) 5.190 28.920 ( -0.027 -0.516 -0.260) 0.578 28.974 ( 0.183 0.426 -1.312) 1.391 31.869 ( 1.232 -1.325 2.925) 3.439 32.310 ( -0.126 1.280 -4.085) 4.283 32.343 ( 1.718 9.346 0.656) 9.525 32.643 ( 10.394 8.768 -1.068) 13.640 33.087 ( -1.743 1.372 14.043) 14.217 35.019 ( -6.449 -13.144 -9.589) 17.501 ======================= Grid point 152 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -15.007 21.680 1.422) 26.406 3.062 ( 0.695 9.294 9.644) 13.411 3.285 ( -0.514 -2.249 6.725) 7.109 3.559 ( -14.447 5.183 -0.117) 15.349 3.671 ( 6.370 -8.578 24.252) 26.501 3.826 ( -9.149 -7.629 5.838) 13.266 4.466 ( -11.966 -10.993 -0.276) 16.251 4.606 ( 10.937 0.916 5.629) 12.334 4.892 ( 3.433 10.192 3.956) 11.459 5.208 ( -3.663 3.279 1.419) 5.117 5.680 ( -1.347 4.146 -0.669) 4.411 6.183 ( 6.099 -2.966 -1.053) 6.863 6.302 ( 1.782 -0.364 -2.961) 3.475 6.353 ( -0.211 -1.481 2.729) 3.113 6.808 ( -7.118 -7.251 -2.300) 10.418 7.412 ( -3.339 -3.017 -20.128) 20.625 7.876 ( -4.252 -1.277 -4.023) 5.991 8.203 ( -2.499 -26.969 6.377) 27.825 11.805 ( -0.657 1.293 2.658) 3.028 12.246 ( 1.257 4.880 -1.931) 5.397 14.217 ( 1.179 2.455 0.579) 2.784 14.528 ( 2.062 6.960 -2.667) 7.734 17.120 ( 1.415 1.083 -0.177) 1.790 17.227 ( -1.803 -1.257 2.224) 3.127 17.339 ( 0.559 1.331 -1.021) 1.768 17.495 ( -0.233 -1.513 -0.306) 1.561 19.475 ( 0.828 -0.266 0.000) 0.869 19.752 ( 2.968 -3.257 -3.155) 5.419 28.926 ( 0.018 -0.263 -0.310) 0.407 28.972 ( 0.214 0.201 -1.171) 1.208 31.843 ( -0.877 4.421 2.994) 5.411 32.249 ( 1.913 7.137 1.126) 7.474 32.323 ( 0.426 -2.273 -6.053) 6.480 32.651 ( 8.966 7.815 -1.106) 11.945 33.021 ( -3.514 2.144 16.224) 16.738 35.134 ( -3.787 -11.528 -10.699) 16.178 ======================= Grid point 153 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -14.366 25.878 2.882) 29.738 2.753 ( -0.560 25.467 21.556) 33.370 3.046 ( -13.634 14.980 -5.651) 21.029 3.703 ( 7.471 -15.944 4.114) 18.082 3.898 ( 1.397 -13.724 5.141) 14.722 3.997 ( 2.652 -16.617 20.870) 26.809 4.493 ( -7.966 -9.322 -1.823) 12.397 4.587 ( -0.582 21.779 10.596) 24.227 4.598 ( 0.564 18.671 5.421) 19.450 5.086 ( 0.292 5.690 -1.757) 5.962 5.491 ( -7.263 14.718 -2.747) 16.640 6.309 ( 4.056 -1.392 -0.947) 4.392 6.350 ( 1.856 -1.339 0.844) 2.439 6.409 ( 7.544 -2.290 -0.105) 7.884 6.809 ( -8.224 -7.431 1.336) 11.164 7.424 ( -1.304 -2.348 -21.192) 21.361 7.845 ( -1.123 0.854 -7.404) 7.537 8.645 ( -0.946 -34.816 5.415) 35.247 11.776 ( -0.599 1.455 2.288) 2.777 12.176 ( 0.194 5.716 -1.898) 6.026 14.205 ( 0.701 0.881 -0.410) 1.198 14.458 ( 0.781 4.741 -2.736) 5.529 17.104 ( 1.276 3.574 2.640) 4.623 17.208 ( -2.222 -0.384 1.444) 2.678 17.333 ( 0.623 0.795 -1.105) 1.497 17.547 ( 0.098 -4.978 -0.211) 4.983 19.480 ( 0.767 1.090 0.139) 1.340 19.829 ( 2.151 -2.352 -4.057) 5.159 28.926 ( 0.065 0.346 -0.430) 0.556 28.975 ( 0.148 -0.330 -0.733) 0.817 31.749 ( -0.825 5.928 4.766) 7.651 32.164 ( 0.562 6.927 2.224) 7.297 32.366 ( 0.206 -2.466 -8.967) 9.302 32.624 ( 4.386 8.466 -2.323) 9.813 32.966 ( -2.077 -0.756 19.413) 19.538 35.258 ( -1.043 -9.417 -12.478) 15.668 ======================= Grid point 154 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.000 28.501 4.387) 28.837 2.356 ( -0.000 27.275 26.402) 37.961 2.696 ( -0.000 18.899 -5.186) 19.598 3.774 ( -0.000 30.210 2.058) 30.280 4.149 ( 0.000 -17.063 2.999) 17.325 4.155 ( -0.000 1.395 9.972) 10.069 4.297 ( 0.000 -16.522 26.928) 31.593 4.400 ( -0.000 10.800 2.812) 11.160 4.630 ( 0.000 -9.883 -0.756) 9.912 5.032 ( -0.000 4.119 -2.631) 4.888 5.111 ( -0.000 26.725 -3.940) 27.014 6.276 ( -0.000 6.282 0.247) 6.287 6.413 ( 0.000 -2.582 0.442) 2.619 6.514 ( 0.000 -2.195 -0.712) 2.307 6.859 ( 0.000 -7.657 3.237) 8.313 7.443 ( 0.000 -1.359 -20.038) 20.084 7.816 ( -0.000 2.272 -9.211) 9.487 9.156 ( 0.000 -33.310 0.943) 33.324 11.751 ( -0.000 1.242 1.875) 2.249 12.090 ( -0.000 5.851 -1.702) 6.094 14.202 ( -0.000 0.601 -1.629) 1.737 14.418 ( -0.000 0.986 -2.408) 2.602 17.053 ( -0.000 4.163 5.647) 7.015 17.197 ( 0.000 -0.489 0.478) 0.684 17.326 ( -0.000 0.713 -0.882) 1.134 17.628 ( 0.000 -5.703 -0.401) 5.718 19.461 ( -0.000 2.192 0.099) 2.195 19.868 ( 0.000 -0.598 -5.906) 5.937 28.918 ( -0.000 0.737 -0.274) 0.786 28.983 ( 0.000 -0.506 -0.543) 0.742 31.668 ( -0.000 3.775 8.125) 8.959 32.063 ( -0.000 6.697 2.316) 7.086 32.399 ( 0.000 -1.749 -7.837) 8.030 32.515 ( -0.000 8.939 -2.472) 9.275 32.992 ( 0.000 -3.726 18.782) 19.148 35.371 ( 0.000 -6.104 -15.041) 16.233 ======================= Grid point 159 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 11.668 -0.000 44.568) 46.070 2.382 ( 22.205 -0.000 4.761) 22.710 3.476 ( -18.792 0.000 5.121) 19.477 4.054 ( -1.114 0.000 -10.691) 10.748 4.268 ( -2.200 0.000 -1.173) 2.494 4.269 ( 23.250 -0.000 2.084) 23.343 4.366 ( -14.212 0.000 6.327) 15.556 4.394 ( 34.752 -0.000 0.459) 34.755 5.113 ( -7.297 0.000 5.595) 9.195 5.226 ( 12.691 -0.000 3.175) 13.082 5.234 ( -7.018 0.000 4.345) 8.254 5.618 ( -13.787 0.000 11.280) 17.814 5.744 ( 1.548 -0.000 -2.508) 2.947 6.344 ( -28.433 0.000 -15.365) 32.319 7.059 ( -3.449 0.000 1.671) 3.833 7.061 ( -7.186 0.000 -1.059) 7.264 7.591 ( 0.579 -0.000 -12.705) 12.718 7.982 ( -5.941 0.000 3.931) 7.124 11.833 ( 1.066 -0.000 4.188) 4.322 12.252 ( 6.614 -0.000 -1.277) 6.736 14.381 ( 4.022 -0.000 2.247) 4.608 14.803 ( 5.869 -0.000 -2.279) 6.296 16.910 ( 1.805 -0.000 2.438) 3.033 17.224 ( -1.385 0.000 0.041) 1.385 17.514 ( -3.186 0.000 -2.722) 4.191 17.716 ( -1.606 0.000 -4.508) 4.786 19.288 ( 1.726 -0.000 -0.467) 1.788 19.447 ( 2.641 -0.000 -4.166) 4.932 28.893 ( 0.131 -0.000 0.230) 0.264 28.991 ( -0.062 0.000 -0.714) 0.716 31.615 ( 3.095 -0.000 7.699) 8.298 32.392 ( 4.151 -0.000 -6.900) 8.052 32.835 ( 9.104 -0.000 2.253) 9.379 32.871 ( -2.222 0.000 11.741) 11.950 33.145 ( 1.832 -0.000 -0.304) 1.857 34.451 ( -7.229 0.000 -8.804) 11.392 ======================= Grid point 160 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 11.441 -4.391 38.026) 39.952 2.777 ( 14.459 -16.636 -0.005) 22.041 3.293 ( -10.806 -5.704 9.582) 15.528 3.894 ( -13.570 6.736 1.076) 15.188 4.186 ( -9.366 -3.534 -2.267) 10.264 4.359 ( 8.728 -4.206 -2.148) 9.924 4.486 ( 4.897 4.736 2.524) 7.266 4.763 ( -13.751 15.166 4.198) 20.898 4.808 ( 23.473 -2.121 0.002) 23.569 5.043 ( -20.669 4.777 10.054) 23.475 5.453 ( 1.257 -12.220 1.992) 12.445 5.594 ( -14.116 -1.926 1.857) 14.367 5.741 ( 7.022 -7.130 0.487) 10.019 6.041 ( -1.651 1.388 -4.351) 4.857 6.962 ( -4.913 1.456 -2.365) 5.643 7.155 ( -9.669 -15.816 -0.609) 18.547 7.600 ( 0.578 -0.174 -12.443) 12.457 7.946 ( -3.046 -1.831 0.351) 3.571 11.846 ( 0.903 0.161 4.025) 4.128 12.328 ( 5.714 0.866 -1.644) 6.009 14.409 ( 3.955 3.228 2.195) 5.557 14.852 ( 5.806 3.809 -2.516) 7.386 16.947 ( 1.733 -1.796 2.290) 3.387 17.207 ( -1.517 -0.308 0.180) 1.559 17.462 ( -2.567 1.541 -2.161) 3.692 17.683 ( -1.553 1.688 -4.286) 4.862 19.320 ( 1.663 -1.405 -0.283) 2.195 19.495 ( 1.775 -2.293 -3.503) 4.547 28.898 ( 0.177 -0.308 0.118) 0.374 28.989 ( -0.031 0.184 -0.755) 0.778 31.675 ( 3.346 -2.304 6.729) 7.860 32.418 ( 1.337 1.255 -7.088) 7.322 32.761 ( 0.087 7.719 7.184) 10.546 32.988 ( 4.246 -1.217 4.665) 6.424 33.097 ( 6.428 9.616 0.823) 11.596 34.456 ( -8.283 -12.675 -8.079) 17.162 ======================= Grid point 161 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 10.195 -9.303 28.627) 31.780 3.044 ( -3.612 -12.128 -2.223) 12.848 3.540 ( 10.346 -21.390 9.842) 25.718 3.631 ( -10.196 3.620 6.085) 12.413 4.063 ( -15.377 1.513 -1.395) 15.514 4.250 ( -13.171 10.434 7.773) 18.514 4.345 ( -18.901 9.651 2.008) 21.317 4.568 ( -7.280 8.802 8.530) 14.256 4.724 ( 4.399 -4.109 1.219) 6.142 5.071 ( 12.875 0.501 0.086) 12.885 5.412 ( -9.261 -10.173 -4.332) 14.423 5.752 ( -0.499 -17.753 2.312) 17.910 6.017 ( 9.770 -9.783 -0.283) 13.829 6.122 ( 6.805 -3.225 -0.024) 7.530 6.848 ( -6.312 4.374 -1.525) 7.829 7.224 ( -12.706 -12.822 -2.729) 18.256 7.615 ( 0.082 -1.512 -10.677) 10.784 7.940 ( -1.847 -1.494 -1.216) 2.669 11.850 ( 0.516 0.564 3.755) 3.832 12.371 ( 4.286 2.172 -1.996) 5.203 14.393 ( 3.265 5.242 2.028) 6.499 14.841 ( 4.868 7.065 -2.726) 9.003 17.005 ( 1.498 -3.181 1.977) 4.034 17.194 ( -1.308 -0.411 0.287) 1.401 17.411 ( -1.355 1.739 -1.661) 2.761 17.627 ( -1.407 3.304 -3.505) 5.018 19.370 ( 1.225 -2.657 -0.101) 2.927 19.558 ( 1.450 -3.415 -2.893) 4.705 28.905 ( 0.135 -0.423 -0.056) 0.447 28.985 ( 0.069 0.285 -0.916) 0.962 31.764 ( 2.941 -3.953 5.500) 7.384 32.392 ( -0.307 2.869 -5.264) 6.003 32.633 ( -1.135 8.614 4.844) 9.947 32.954 ( 8.130 11.396 -1.494) 14.078 33.118 ( 4.075 1.357 7.432) 8.583 34.567 ( -8.188 -16.170 -7.828) 19.743 ======================= Grid point 162 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 10.672 -14.479 18.013) 25.456 3.204 ( -2.446 -14.934 3.878) 15.622 3.440 ( -5.690 6.246 1.420) 8.567 3.632 ( -18.451 13.217 3.758) 23.006 3.835 ( -9.919 7.950 5.325) 13.782 4.005 ( -17.289 4.914 6.471) 19.103 4.195 ( -4.104 -3.513 11.801) 12.978 4.278 ( 0.634 -14.286 11.571) 18.395 4.994 ( 9.810 -5.460 -1.944) 11.395 5.141 ( 4.075 4.122 0.269) 5.803 5.576 ( 2.505 -15.878 -6.313) 17.270 5.988 ( 0.971 -13.615 0.118) 13.650 6.230 ( 5.137 -5.375 -2.784) 7.939 6.255 ( 2.375 -5.144 2.733) 6.290 6.684 ( -7.248 4.159 -1.216) 8.445 7.213 ( -12.958 -9.537 -5.220) 16.915 7.650 ( -1.050 -4.154 -6.851) 8.080 7.943 ( -0.660 -1.198 -1.967) 2.396 11.842 ( 0.083 1.083 3.450) 3.617 12.374 ( 2.638 3.593 -2.253) 4.994 14.345 ( 2.072 5.763 1.699) 6.356 14.775 ( 3.298 8.906 -2.881) 9.924 17.074 ( 1.224 -3.582 1.524) 4.081 17.188 ( -0.838 -0.726 0.602) 1.262 17.378 ( -0.272 1.311 -1.332) 1.889 17.555 ( -1.029 3.936 -2.438) 4.743 19.424 ( 0.642 -2.785 0.057) 2.858 19.635 ( 1.641 -4.279 -2.552) 5.245 28.913 ( 0.040 -0.447 -0.129) 0.467 28.982 ( 0.157 0.341 -1.150) 1.210 31.853 ( 1.698 -3.308 3.878) 5.372 32.338 ( -0.544 3.208 -3.301) 4.635 32.494 ( -0.172 8.475 2.771) 8.918 32.913 ( 9.085 9.838 -0.859) 13.419 33.110 ( 0.229 3.585 8.325) 9.067 34.712 ( -6.351 -16.311 -8.300) 19.371 ======================= Grid point 163 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -3.041 3.936 1.779) 5.283 3.091 ( 1.537 0.946 6.546) 6.790 3.326 ( -8.310 -3.964 0.345) 9.214 3.430 ( -1.162 5.394 13.888) 14.944 3.576 ( -10.821 0.531 7.404) 13.122 3.762 ( 3.278 7.077 18.575) 20.146 4.126 ( -12.870 -11.794 1.360) 17.510 4.713 ( 11.352 -15.135 9.489) 21.165 5.029 ( -0.743 8.030 1.622) 8.226 5.143 ( -0.824 -2.501 -0.842) 2.765 5.775 ( 3.844 1.908 -5.240) 6.774 6.179 ( 3.722 -8.221 -0.277) 9.029 6.285 ( -0.462 -0.815 3.426) 3.552 6.348 ( 3.542 -3.344 -2.114) 5.310 6.611 ( -6.488 -6.206 -4.301) 9.956 7.220 ( -8.090 -11.891 -12.385) 18.980 7.720 ( -1.960 -8.401 -2.069) 8.872 7.972 ( -0.046 -4.609 -0.023) 4.609 11.821 ( -0.156 1.517 3.109) 3.463 12.335 ( 1.085 4.850 -2.343) 5.494 14.284 ( 0.863 4.769 1.168) 4.985 14.673 ( 1.553 9.017 -3.000) 9.629 17.134 ( 1.158 -2.067 1.328) 2.716 17.191 ( -0.914 -0.961 1.040) 1.685 17.361 ( 0.177 1.014 -1.233) 1.606 17.496 ( -0.412 2.244 -1.303) 2.627 19.466 ( 0.326 -1.960 0.201) 1.997 19.721 ( 1.291 -4.554 -2.618) 5.409 28.920 ( 0.008 -0.506 -0.155) 0.529 28.979 ( 0.131 0.382 -1.244) 1.308 31.884 ( 0.144 1.232 2.803) 3.065 32.305 ( -0.014 0.253 -4.166) 4.174 32.383 ( 0.786 7.473 2.508) 7.922 32.885 ( 7.171 8.876 -0.410) 11.419 33.027 ( -2.881 4.646 10.768) 12.077 34.884 ( -3.136 -15.411 -9.396) 18.320 ======================= Grid point 164 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -0.000 24.157 1.882) 24.230 3.115 ( -0.000 22.685 16.331) 27.952 3.145 ( -0.000 10.192 -5.899) 11.776 3.523 ( 0.000 -17.151 12.172) 21.031 3.626 ( 0.000 -16.076 6.733) 17.429 3.854 ( 0.000 -8.529 20.332) 22.048 4.233 ( 0.000 -14.461 -2.325) 14.647 4.811 ( -0.000 13.936 1.857) 14.059 4.910 ( -0.000 8.079 9.983) 12.842 5.132 ( -0.000 1.868 -1.783) 2.582 5.642 ( -0.000 12.692 -1.077) 12.737 6.304 ( 0.000 -4.105 0.385) 4.123 6.319 ( 0.000 -3.426 0.374) 3.446 6.432 ( 0.000 -3.179 -0.919) 3.310 6.644 ( 0.000 -5.386 -2.112) 5.785 7.339 ( 0.000 -8.433 -22.385) 23.921 7.818 ( 0.000 -4.380 -5.082) 6.709 8.165 ( 0.000 -24.833 7.931) 26.069 11.796 ( -0.000 1.676 2.715) 3.191 12.263 ( -0.000 5.661 -2.235) 6.087 14.234 ( -0.000 2.684 0.426) 2.717 14.558 ( -0.000 7.621 -3.038) 8.204 17.154 ( -0.000 1.191 2.588) 2.849 17.188 ( 0.000 -0.243 0.551) 0.602 17.349 ( -0.000 0.867 -1.145) 1.436 17.492 ( 0.000 -2.044 -0.527) 2.111 19.487 ( 0.000 -0.609 0.243) 0.655 19.794 ( 0.000 -3.944 -3.097) 5.015 28.927 ( 0.000 -0.314 -0.270) 0.414 28.975 ( -0.000 0.189 -1.053) 1.070 31.830 ( -0.000 5.325 3.263) 6.245 32.279 ( -0.000 7.582 2.566) 8.004 32.326 ( 0.000 -2.567 -7.340) 7.776 32.801 ( -0.000 10.031 -2.976) 10.463 32.950 ( -0.000 1.490 17.390) 17.453 35.078 ( 0.000 -13.320 -10.873) 17.194 ======================= Grid point 171 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 11.537 -0.000 38.665) 40.349 2.796 ( 4.058 -0.000 -3.391) 5.288 3.123 ( -2.428 0.000 11.300) 11.558 3.767 ( -13.996 0.000 -2.293) 14.183 3.995 ( -12.900 0.000 7.154) 14.751 4.341 ( -0.188 0.000 -8.630) 8.632 4.484 ( -32.534 0.000 1.998) 32.595 4.709 ( 9.623 -0.000 2.254) 9.884 4.949 ( -2.749 0.000 -2.371) 3.630 5.080 ( -5.916 0.000 6.674) 8.918 5.210 ( -1.271 0.000 16.479) 16.528 5.357 ( -10.828 0.000 -4.124) 11.586 5.885 ( 16.173 -0.000 0.991) 16.203 6.077 ( 6.035 -0.000 -3.127) 6.797 6.923 ( -4.197 0.000 -2.696) 4.989 6.952 ( -4.384 0.000 2.517) 5.055 7.607 ( 0.513 -0.000 -12.975) 12.985 7.915 ( -0.708 0.000 -2.902) 2.987 11.859 ( 0.815 -0.000 4.097) 4.178 12.404 ( 4.795 -0.000 -2.048) 5.214 14.483 ( 3.471 -0.000 2.248) 4.136 14.956 ( 5.437 -0.000 -2.763) 6.098 16.954 ( 1.472 -0.000 2.447) 2.855 17.186 ( -1.323 0.000 0.520) 1.422 17.440 ( -2.281 0.000 -1.982) 3.022 17.679 ( -1.192 0.000 -4.723) 4.871 19.327 ( 1.088 -0.000 -0.064) 1.090 19.499 ( 1.353 -0.000 -2.936) 3.232 28.898 ( 0.292 -0.000 0.189) 0.348 28.990 ( -0.010 0.000 -0.716) 0.716 31.699 ( 2.998 -0.000 6.681) 7.323 32.437 ( 0.329 -0.000 -6.104) 6.113 32.773 ( -4.961 0.000 9.788) 10.973 33.076 ( 8.764 -0.000 -0.571) 8.782 33.256 ( 5.444 -0.000 0.615) 5.479 34.252 ( -7.505 0.000 -7.095) 10.328 ======================= Grid point 172 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 10.082 -3.109 33.179) 34.816 2.822 ( -6.114 -8.291 0.307) 10.306 3.325 ( 7.773 -18.312 8.831) 21.765 3.574 ( -9.893 2.497 -1.357) 10.293 3.863 ( -10.797 -2.026 5.479) 12.277 4.037 ( -27.775 3.661 3.458) 28.228 4.222 ( -18.764 5.643 -1.852) 19.682 4.709 ( -0.064 10.169 3.859) 10.877 4.788 ( 3.152 7.754 7.095) 10.972 5.011 ( -4.467 -14.647 -2.374) 15.496 5.334 ( 4.757 3.649 -2.603) 6.536 5.450 ( -0.857 -20.838 7.977) 22.329 6.082 ( 10.887 -1.727 0.134) 11.024 6.183 ( 7.295 -1.526 -1.462) 7.595 6.841 ( -4.004 3.550 -2.995) 6.132 6.955 ( -5.630 -6.435 2.625) 8.944 7.613 ( 0.361 -0.095 -12.697) 12.703 7.915 ( -0.257 -0.558 -3.868) 3.916 11.865 ( 0.524 0.420 3.999) 4.055 12.448 ( 3.308 1.319 -2.368) 4.276 14.497 ( 2.543 3.353 2.204) 4.750 14.987 ( 4.065 4.317 -2.974) 6.634 16.984 ( 1.071 -1.812 2.408) 3.199 17.174 ( -0.942 -0.296 0.643) 1.178 17.410 ( -1.338 0.661 -1.757) 2.305 17.651 ( -0.894 1.915 -4.402) 4.883 19.350 ( 0.618 -1.593 0.133) 1.714 19.530 ( 0.862 -2.232 -2.503) 3.463 28.904 ( 0.260 -0.161 0.102) 0.322 28.989 ( 0.041 0.113 -0.773) 0.782 31.751 ( 2.251 -2.308 6.245) 7.028 32.427 ( 0.138 1.874 -3.759) 4.203 32.682 ( -4.263 3.446 6.110) 8.209 33.158 ( 6.559 3.358 -2.318) 7.725 33.257 ( 4.899 7.342 2.756) 9.247 34.257 ( -6.314 -11.762 -6.401) 14.805 ======================= Grid point 173 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 9.995 -10.067 23.090) 27.100 2.904 ( -7.664 -13.240 6.530) 16.633 3.478 ( -0.882 1.680 -2.882) 3.450 3.565 ( -7.900 2.073 2.796) 8.633 3.734 ( -16.393 -1.242 1.112) 16.478 3.805 ( -3.095 -1.106 5.042) 6.019 3.975 ( -5.422 -16.557 10.833) 20.516 4.362 ( -2.961 22.106 17.214) 28.174 4.986 ( 5.179 -7.802 -0.336) 9.371 5.249 ( 2.019 -19.385 -6.920) 20.682 5.312 ( 0.690 0.920 -3.205) 3.406 5.745 ( -0.049 -19.535 4.568) 20.062 6.205 ( 3.916 -1.717 -0.127) 4.278 6.285 ( 4.223 -1.727 -0.999) 4.671 6.708 ( -3.738 7.542 -2.366) 8.744 6.970 ( -5.540 -5.741 2.199) 8.276 7.621 ( 0.159 -0.652 -11.559) 11.578 7.923 ( -0.129 -0.837 -3.839) 3.931 11.859 ( 0.180 0.949 3.793) 3.914 12.450 ( 1.593 2.764 -2.549) 4.084 14.454 ( 1.267 5.637 2.025) 6.122 14.936 ( 2.046 7.750 -3.092) 8.591 17.033 ( 0.591 -3.281 2.215) 4.002 17.171 ( -0.418 -0.537 0.695) 0.972 17.388 ( -0.389 0.742 -1.571) 1.781 17.601 ( -0.513 3.467 -3.607) 5.029 19.388 ( 0.250 -2.677 0.258) 2.701 19.586 ( 0.616 -4.029 -2.290) 4.675 28.909 ( 0.099 -0.219 -0.004) 0.240 28.988 ( 0.072 0.179 -0.950) 0.969 31.819 ( 1.125 -3.607 5.171) 6.404 32.387 ( 0.053 3.601 -1.675) 3.972 32.576 ( -1.963 4.982 3.379) 6.332 33.144 ( 5.110 8.025 -1.995) 9.721 33.197 ( 1.231 6.524 4.108) 7.807 34.401 ( -3.764 -16.032 -6.745) 17.796 ======================= Grid point 174 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 0.000 -16.847 22.715) 28.280 2.991 ( 0.000 -12.333 -0.855) 12.363 3.283 ( -0.000 15.296 0.236) 15.298 3.547 ( 0.000 5.657 1.879) 5.961 3.547 ( 0.000 3.973 5.794) 7.025 3.821 ( 0.000 -11.066 0.142) 11.067 4.019 ( -0.000 19.616 21.389) 29.022 4.404 ( 0.000 -30.581 11.707) 32.745 5.097 ( 0.000 -3.944 -0.130) 3.946 5.188 ( -0.000 10.232 -0.867) 10.268 5.667 ( 0.000 -22.115 -11.051) 24.723 6.020 ( 0.000 -17.198 3.203) 17.494 6.242 ( 0.000 -1.402 0.143) 1.409 6.345 ( 0.000 -2.451 -1.110) 2.691 6.558 ( -0.000 6.632 -2.249) 7.002 7.012 ( 0.000 -6.895 -0.593) 6.921 7.641 ( 0.000 -2.348 -8.630) 8.943 7.937 ( 0.000 -1.327 -2.961) 3.245 11.843 ( -0.000 1.376 3.497) 3.758 12.409 ( -0.000 4.041 -2.547) 4.777 14.373 ( -0.000 6.135 1.679) 6.360 14.821 ( -0.000 9.348 -3.107) 9.851 17.092 ( 0.000 -3.896 2.012) 4.385 17.177 ( 0.000 -0.545 0.663) 0.858 17.375 ( -0.000 0.814 -1.434) 1.649 17.542 ( -0.000 3.887 -2.511) 4.627 19.431 ( 0.000 -2.811 0.293) 2.826 19.658 ( 0.000 -4.863 -2.334) 5.394 28.913 ( 0.000 -0.366 -0.073) 0.373 28.985 ( -0.000 0.289 -1.151) 1.187 31.875 ( 0.000 -2.513 3.682) 4.458 32.332 ( -0.000 3.298 -1.831) 3.772 32.485 ( -0.000 6.008 2.749) 6.607 33.078 ( -0.000 8.219 -3.573) 8.962 33.082 ( -0.000 7.089 8.990) 11.449 34.621 ( 0.000 -16.851 -7.945) 18.630 ======================= Grid point 183 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 6.791 -0.000 37.716) 38.323 2.682 ( -4.378 0.000 1.387) 4.593 3.275 ( 6.016 -0.000 4.857) 7.731 3.452 ( -8.199 0.000 -4.606) 9.404 3.742 ( -17.624 0.000 3.703) 18.009 3.757 ( -5.878 0.000 8.937) 10.697 4.051 ( -13.858 0.000 -0.954) 13.891 4.730 ( -1.891 0.000 -8.692) 8.895 4.867 ( 2.633 -0.000 2.583) 3.688 4.991 ( -1.278 0.000 6.323) 6.450 5.195 ( -0.212 0.000 15.191) 15.192 5.415 ( 2.363 -0.000 -2.972) 3.797 6.191 ( 6.403 -0.000 0.005) 6.403 6.255 ( 4.834 -0.000 -1.243) 4.991 6.842 ( -1.784 0.000 -3.274) 3.728 6.858 ( -2.284 0.000 3.415) 4.109 7.616 ( 0.155 -0.000 -13.030) 13.031 7.910 ( 0.017 -0.000 -4.810) 4.810 11.873 ( 0.303 -0.000 4.068) 4.080 12.491 ( 1.756 -0.000 -2.602) 3.140 14.548 ( 1.371 -0.000 2.273) 2.655 15.062 ( 2.280 -0.000 -3.145) 3.885 16.982 ( 0.558 -0.000 2.561) 2.621 17.162 ( -0.497 0.000 0.790) 0.933 17.400 ( -0.756 0.000 -1.715) 1.874 17.657 ( -0.444 0.000 -4.643) 4.664 19.343 ( 0.225 -0.000 0.288) 0.365 19.520 ( 0.344 -0.000 -2.241) 2.267 28.906 ( 0.202 -0.000 0.139) 0.245 28.990 ( 0.020 -0.000 -0.711) 0.711 31.757 ( 1.215 -0.000 6.570) 6.681 32.446 ( 0.526 -0.000 -1.608) 1.692 32.652 ( -3.309 0.000 4.116) 5.281 33.252 ( 3.937 -0.000 -3.532) 5.289 33.370 ( 2.575 -0.000 1.854) 3.172 34.098 ( -3.516 0.000 -5.151) 6.236 ======================= Grid point 184 (72/144) ======================= q-point: (-0.45 -0.55 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 0.000 -6.002 35.209) 35.717 2.695 ( 0.000 -5.650 1.810) 5.933 3.431 ( 0.000 -4.364 -6.379) 7.729 3.452 ( 0.000 -15.071 3.792) 15.541 3.591 ( -0.000 2.597 3.582) 4.424 3.733 ( 0.000 -2.875 11.309) 11.669 3.891 ( -0.000 7.724 1.046) 7.794 4.664 ( -0.000 18.379 8.817) 20.384 4.921 ( 0.000 -13.753 -5.203) 14.705 4.927 ( 0.000 -5.266 2.016) 5.639 5.402 ( -0.000 3.794 -2.713) 4.664 5.439 ( 0.000 -21.265 8.513) 22.906 6.231 ( -0.000 0.221 -0.081) 0.235 6.295 ( 0.000 -0.931 -1.110) 1.449 6.781 ( -0.000 5.025 -2.977) 5.841 6.878 ( 0.000 -3.178 3.354) 4.620 7.617 ( 0.000 -0.134 -12.757) 12.758 7.913 ( 0.000 -0.392 -4.763) 4.779 11.872 ( -0.000 0.528 3.997) 4.032 12.492 ( -0.000 1.463 -2.668) 3.043 14.531 ( -0.000 3.431 2.217) 4.085 15.043 ( -0.000 4.529 -3.187) 5.538 16.999 ( 0.000 -1.831 2.490) 3.091 17.161 ( 0.000 -0.362 0.801) 0.879 17.393 ( -0.000 0.318 -1.653) 1.683 17.639 ( -0.000 1.987 -4.354) 4.787 19.357 ( 0.000 -1.626 0.333) 1.660 19.541 ( 0.000 -2.444 -2.169) 3.267 28.908 ( 0.000 -0.065 0.089) 0.110 28.990 ( -0.000 0.066 -0.776) 0.779 31.782 ( 0.000 -2.262 6.209) 6.608 32.434 ( -0.000 2.281 -0.549) 2.346 32.612 ( -0.000 2.295 2.847) 3.657 33.254 ( -0.000 3.259 -4.037) 5.188 33.324 ( -0.000 7.490 2.969) 8.057 34.167 ( 0.000 -11.444 -5.312) 12.617 ======================= Grid point 246 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 0.000 17.541) 17.541 1.485 ( 0.000 0.000 33.885) 33.885 1.624 ( 0.000 0.000 -9.475) 9.475 2.482 ( 0.000 0.000 36.186) 36.186 3.588 ( 0.000 0.000 4.721) 4.721 4.175 ( 0.000 0.000 8.147) 8.147 4.733 ( 0.000 0.000 -6.911) 6.911 4.766 ( 0.000 0.000 -2.544) 2.544 4.861 ( 0.000 0.000 0.799) 0.799 4.880 ( 0.000 0.000 -0.001) 0.001 5.841 ( 0.000 0.000 34.727) 34.727 6.046 ( 0.000 0.000 3.917) 3.917 6.489 ( 0.000 0.000 0.793) 0.793 6.548 ( 0.000 0.000 -0.914) 0.914 6.969 ( 0.000 0.000 -1.556) 1.556 7.098 ( 0.000 0.000 0.102) 0.102 7.294 ( 0.000 0.000 -10.523) 10.523 9.153 ( 0.000 0.000 -33.544) 33.544 11.753 ( 0.000 0.000 1.338) 1.338 11.847 ( 0.000 0.000 -1.262) 1.262 14.261 ( 0.000 0.000 3.821) 3.821 14.504 ( 0.000 0.000 -3.030) 3.030 17.247 ( 0.000 0.000 0.233) 0.233 17.252 ( 0.000 0.000 5.938) 5.938 17.276 ( 0.000 0.000 -0.552) 0.552 17.695 ( 0.000 0.000 -6.350) 6.350 19.274 ( 0.000 0.000 1.418) 1.418 19.339 ( 0.000 0.000 -0.373) 0.373 28.892 ( 0.000 0.000 0.661) 0.661 28.968 ( 0.000 0.000 -1.319) 1.319 31.904 ( 0.000 0.000 3.507) 3.507 32.160 ( 0.000 0.000 -3.534) 3.534 32.469 ( 0.000 0.000 3.353) 3.353 32.781 ( 0.000 0.000 -6.343) 6.343 33.563 ( 0.000 0.000 13.982) 13.982 34.390 ( 0.000 0.000 -10.014) 10.014 ======================= Grid point 247 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 37.557 -9.329 13.082) 40.850 1.770 ( 9.276 -27.823 25.164) 38.645 1.908 ( 26.632 -11.012 -6.674) 29.582 2.590 ( 1.666 -14.543 33.954) 36.975 3.693 ( -0.521 -15.366 3.464) 15.761 4.238 ( 6.550 -2.217 7.810) 10.431 4.635 ( -10.753 4.581 -0.487) 11.698 4.733 ( 0.316 6.082 -2.277) 6.503 4.880 ( 6.755 0.609 -4.781) 8.298 4.909 ( 3.500 0.604 -0.491) 3.585 5.753 ( -5.692 10.495 31.522) 33.707 5.981 ( -4.054 -2.296 8.991) 10.126 6.477 ( -1.752 1.324 1.141) 2.474 6.531 ( -1.777 0.944 -2.515) 3.221 6.942 ( 4.432 3.271 -4.278) 6.975 7.143 ( 2.377 0.940 -12.194) 12.459 7.403 ( 0.868 -11.741 -1.207) 11.835 9.204 ( -8.124 -11.161 -31.396) 34.297 11.773 ( 2.628 0.129 1.520) 3.038 11.879 ( 2.457 -2.105 -1.452) 3.546 14.239 ( 0.855 3.296 3.836) 5.129 14.491 ( 0.980 2.593 -3.229) 4.256 17.126 ( -7.480 0.671 7.098) 10.333 17.275 ( -0.492 -0.251 -0.734) 0.919 17.336 ( 7.041 2.664 0.498) 7.545 17.706 ( -0.436 -1.047 -6.267) 6.368 19.325 ( -1.259 -3.038 -0.704) 3.363 19.357 ( -3.078 -8.694 -1.927) 9.423 28.896 ( 0.013 -0.396 0.644) 0.756 28.970 ( 0.010 -0.138 -1.270) 1.277 31.941 ( 3.218 -1.915 3.091) 4.855 32.077 ( -11.477 -0.101 2.323) 11.710 32.488 ( 8.030 5.309 1.254) 9.708 32.609 ( 2.342 18.954 -0.056) 19.099 33.498 ( -1.665 3.585 17.545) 17.985 34.576 ( -1.846 -19.218 -18.911) 27.025 ======================= Grid point 248 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 30.522 -14.206 12.818) 36.024 2.351 ( 17.837 -21.139 16.925) 32.426 2.497 ( 30.607 -13.278 -0.737) 33.371 2.989 ( 7.816 -30.409 20.823) 37.675 4.029 ( 4.583 -24.636 -1.378) 25.096 4.320 ( -4.079 3.588 2.732) 6.080 4.475 ( 2.183 -2.496 6.089) 6.933 4.572 ( -4.435 9.251 3.533) 10.850 4.927 ( 2.259 2.035 0.357) 3.062 5.000 ( 9.769 -0.576 -6.203) 11.587 5.448 ( -6.461 16.744 29.058) 34.153 6.032 ( -3.848 -9.261 6.659) 12.038 6.391 ( -5.922 2.882 -1.739) 6.812 6.462 ( -4.142 3.161 2.708) 5.872 6.996 ( 3.723 -2.139 -8.795) 9.787 7.134 ( 2.352 3.771 -17.261) 17.824 7.581 ( 1.501 -9.190 3.348) 9.895 9.192 ( -13.660 -5.499 -23.993) 28.151 11.807 ( 2.937 0.158 2.473) 3.843 11.959 ( 3.603 -2.799 -1.750) 4.886 14.203 ( 1.315 3.122 3.259) 4.701 14.457 ( 1.795 4.234 -3.457) 5.753 17.055 ( -4.159 -1.180 6.989) 8.218 17.269 ( -1.040 -0.215 -1.370) 1.733 17.367 ( 4.342 2.836 0.665) 5.229 17.699 ( -0.790 1.127 -5.013) 5.198 19.335 ( -2.820 -3.393 0.033) 4.412 19.467 ( -3.564 -9.903 -6.057) 12.143 28.901 ( -0.131 -0.346 0.553) 0.666 28.970 ( -0.130 0.038 -1.188) 1.196 31.927 ( -7.293 1.853 9.637) 12.227 32.031 ( 4.522 -2.834 2.196) 5.771 32.406 ( 2.902 12.796 -0.406) 13.127 32.501 ( 6.397 6.409 -1.640) 9.203 33.452 ( -1.557 -0.194 20.363) 20.423 34.789 ( -3.298 -13.779 -22.467) 26.561 ======================= Grid point 249 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 22.352 -16.938 12.315) 30.629 2.831 ( 15.125 -16.426 23.276) 32.255 3.017 ( 25.315 -7.957 -5.845) 27.172 3.487 ( 1.620 -17.550 -0.238) 17.626 4.130 ( -3.326 1.971 6.073) 7.200 4.410 ( -0.582 -0.790 2.744) 2.914 4.522 ( 5.296 -19.858 5.297) 21.224 4.657 ( 11.328 -2.694 5.777) 12.998 4.890 ( -1.739 4.507 8.503) 9.779 5.156 ( -1.780 13.216 21.261) 25.098 5.175 ( 7.881 -10.204 -4.225) 13.567 6.098 ( -5.454 -5.905 -0.146) 8.039 6.255 ( -7.657 3.096 -1.614) 8.415 6.377 ( -2.944 -0.719 7.285) 7.890 7.062 ( 1.857 -0.370 -11.201) 11.360 7.109 ( 1.895 2.464 -16.901) 17.185 7.705 ( 0.971 -5.805 3.972) 7.100 9.014 ( -14.957 3.816 -16.074) 22.286 11.843 ( 2.539 -0.150 3.381) 4.231 12.043 ( 3.187 -2.348 -1.952) 4.413 14.185 ( 1.314 1.693 2.542) 3.325 14.419 ( 2.175 4.178 -3.490) 5.863 17.040 ( -1.873 -1.761 4.385) 5.083 17.254 ( -1.414 -0.023 -2.168) 2.589 17.374 ( 2.410 1.991 1.712) 3.563 17.655 ( -1.130 2.999 -3.289) 4.592 19.358 ( -2.029 -3.968 0.202) 4.461 19.539 ( -3.784 -6.409 -6.516) 9.892 28.903 ( -0.135 -0.275 0.179) 0.355 28.964 ( -0.330 0.425 -1.174) 1.291 31.856 ( -1.525 0.026 9.689) 9.808 32.125 ( 3.712 -2.260 1.678) 4.659 32.288 ( 0.897 7.131 -3.005) 7.791 32.461 ( 2.228 6.440 -3.450) 7.638 33.463 ( 0.452 -2.138 22.885) 22.989 34.908 ( -2.602 -8.050 -21.324) 22.941 ======================= Grid point 250 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 7.982 -11.927 13.022) 19.379 3.225 ( 11.473 -0.150 4.232) 12.230 3.344 ( 10.961 -11.503 4.623) 16.548 3.613 ( 6.319 -8.991 -1.062) 11.041 4.107 ( 1.693 0.916 6.984) 7.244 4.471 ( -1.027 -1.010 5.366) 5.556 4.622 ( -1.421 9.902 11.791) 15.463 4.809 ( -0.442 -1.890 8.257) 8.482 4.944 ( 8.873 -2.981 11.801) 15.062 5.042 ( 1.735 -7.230 10.674) 13.009 5.507 ( 7.283 -16.140 -6.143) 18.743 6.062 ( -4.919 -0.025 -3.123) 5.827 6.140 ( -4.704 -0.748 -1.005) 4.868 6.431 ( 1.481 -6.263 8.591) 10.734 7.047 ( 0.872 3.170 -17.693) 17.996 7.101 ( -0.649 1.979 -6.673) 6.991 7.804 ( 2.217 -6.248 0.241) 6.634 8.714 ( -13.913 10.598 -10.739) 20.523 11.875 ( 1.713 -0.281 3.872) 4.244 12.107 ( 2.109 -1.516 -2.215) 3.414 14.184 ( 0.989 0.562 2.109) 2.396 14.393 ( 1.813 2.889 -3.357) 4.786 17.047 ( -0.668 -1.088 1.571) 2.024 17.236 ( -1.259 -0.003 -2.835) 3.102 17.378 ( 1.331 0.449 2.770) 3.106 17.587 ( -1.356 3.711 -1.630) 4.274 19.395 ( -0.755 -3.326 0.013) 3.411 19.562 ( -3.128 -3.049 -5.583) 7.089 28.907 ( 0.010 -0.368 -0.359) 0.515 28.950 ( -0.418 0.707 -1.260) 1.504 31.872 ( 1.124 -1.871 6.856) 7.195 32.181 ( 2.713 1.537 2.528) 4.014 32.218 ( -0.415 1.743 -5.561) 5.843 32.381 ( -1.208 4.801 -2.952) 5.763 33.513 ( 1.685 -2.184 23.889) 24.048 34.969 ( -1.453 -4.127 -19.718) 20.197 ======================= Grid point 251 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 0.522 -5.686 7.293) 9.262 3.134 ( -1.869 6.670 -1.166) 7.024 3.770 ( 14.562 -13.325 8.193) 21.371 3.890 ( 7.569 -9.846 6.237) 13.898 4.098 ( -1.124 5.467 6.234) 8.367 4.309 ( -5.990 8.459 21.767) 24.109 4.579 ( 1.847 -2.792 2.534) 4.198 4.752 ( -5.026 5.240 -2.539) 7.692 4.866 ( 0.145 4.311 12.656) 13.371 5.355 ( 4.099 -10.784 10.303) 15.468 5.708 ( 1.289 -3.456 -1.848) 4.125 6.025 ( -1.132 -0.875 -2.450) 2.838 6.157 ( 0.308 -2.784 -6.884) 7.432 6.552 ( 2.559 -4.592 11.202) 12.374 6.998 ( -1.100 3.606 -0.609) 3.819 7.042 ( -1.093 1.631 -20.346) 20.440 7.977 ( 5.710 -9.219 -2.762) 11.190 8.376 ( -10.081 11.511 -8.756) 17.629 11.894 ( 0.604 -0.133 4.062) 4.109 12.141 ( 0.733 -0.523 -2.412) 2.575 14.189 ( 0.372 0.082 1.921) 1.958 14.381 ( 0.711 1.017 -3.216) 3.447 17.051 ( -0.157 -0.266 -0.064) 0.315 17.224 ( -0.496 -0.010 -3.243) 3.280 17.396 ( 0.683 -0.717 3.152) 3.304 17.523 ( -0.872 2.295 -0.393) 2.487 19.428 ( 0.004 -1.403 -0.358) 1.448 19.558 ( -1.357 -0.735 -4.630) 4.881 28.914 ( 0.129 -0.408 -0.651) 0.779 28.935 ( -0.286 0.573 -1.441) 1.577 31.918 ( 0.982 -1.520 4.215) 4.587 32.154 ( 0.719 2.426 -2.624) 3.645 32.225 ( -0.059 -0.832 -1.035) 1.329 32.310 ( -1.195 1.919 -1.357) 2.637 33.555 ( 0.867 -0.882 23.896) 23.928 34.996 ( -0.452 -1.260 -18.768) 18.816 ======================= Grid point 258 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 11.683 -0.000 27.393) 29.780 1.810 ( 53.783 -0.000 7.733) 54.336 2.307 ( 42.347 -0.000 -5.572) 42.712 2.520 ( 5.392 -0.000 31.829) 32.283 3.573 ( 1.049 -0.000 6.149) 6.237 4.347 ( 11.516 -0.000 7.280) 13.624 4.501 ( -13.763 0.000 0.555) 13.774 4.761 ( -5.140 0.000 -0.396) 5.156 4.927 ( -0.353 0.000 0.094) 0.365 5.026 ( 13.458 -0.000 -10.386) 17.000 5.735 ( -6.807 0.000 27.703) 28.527 5.873 ( -9.647 0.000 7.341) 12.122 6.476 ( -1.947 0.000 4.704) 5.091 6.510 ( -2.585 0.000 -11.086) 11.384 7.117 ( 6.546 -0.000 -1.883) 6.811 7.137 ( 1.942 -0.000 2.814) 3.419 7.291 ( -0.322 0.000 -12.102) 12.106 8.946 ( -15.449 0.000 -23.068) 27.764 11.821 ( 3.730 -0.000 1.667) 4.086 11.908 ( 4.396 -0.000 -1.159) 4.546 14.285 ( 1.760 -0.000 3.823) 4.209 14.530 ( 2.077 -0.000 -3.122) 3.750 17.040 ( -5.633 0.000 7.674) 9.520 17.263 ( -0.822 0.000 -0.788) 1.139 17.442 ( 4.644 -0.000 -3.345) 5.723 17.683 ( -0.958 0.000 -6.365) 6.437 19.254 ( -1.143 0.000 0.531) 1.261 19.281 ( -2.375 0.000 -0.788) 2.502 28.895 ( 0.160 -0.000 0.658) 0.677 28.969 ( 0.080 -0.000 -1.295) 1.297 31.936 ( -9.439 0.000 6.494) 11.457 31.988 ( 5.709 -0.000 1.525) 5.909 32.602 ( 5.537 -0.000 4.022) 6.844 32.808 ( 2.214 -0.000 -4.536) 5.047 33.507 ( -4.064 0.000 13.422) 14.024 34.379 ( -0.983 0.000 -13.629) 13.664 ======================= Grid point 259 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 17.943 -12.657 20.197) 29.834 2.452 ( 24.981 -7.145 19.131) 32.266 2.825 ( 31.780 -13.956 11.371) 36.525 2.887 ( 36.852 -2.283 1.834) 36.969 3.764 ( 7.003 -19.622 0.790) 20.849 4.258 ( -14.996 3.365 1.822) 15.477 4.558 ( 14.377 -1.809 6.549) 15.901 4.614 ( -7.299 6.715 2.119) 10.142 4.917 ( -3.355 -1.851 1.085) 3.982 5.165 ( 10.302 3.913 -6.911) 13.008 5.559 ( -6.660 9.920 19.704) 23.044 5.828 ( -6.885 -8.680 8.341) 13.868 6.378 ( -5.410 4.959 -2.431) 7.731 6.455 ( -5.532 3.024 0.844) 6.361 7.036 ( 1.722 4.169 -4.624) 6.460 7.208 ( 1.447 2.345 -12.623) 12.920 7.422 ( -0.270 -13.175 -0.704) 13.196 8.809 ( -20.968 -11.861 -16.721) 29.324 11.858 ( 3.073 0.812 2.989) 4.363 11.986 ( 5.250 -1.410 -1.269) 5.583 14.284 ( 2.591 3.502 3.895) 5.844 14.543 ( 3.020 2.849 -3.359) 5.340 16.994 ( -2.459 -0.985 6.876) 7.368 17.253 ( -0.938 -0.088 -1.191) 1.519 17.457 ( 2.090 2.957 -2.883) 4.629 17.680 ( -1.679 -1.053 -6.164) 6.475 19.258 ( -1.787 -2.134 -0.188) 2.790 19.314 ( -0.224 -6.333 -3.334) 7.161 28.898 ( 0.106 -0.114 0.611) 0.631 28.970 ( 0.008 0.057 -1.254) 1.256 31.844 ( -5.161 -0.642 9.401) 10.744 32.075 ( 6.065 -0.950 -0.565) 6.165 32.604 ( 3.076 8.629 3.359) 9.757 32.753 ( 6.715 11.331 -2.076) 13.334 33.419 ( -4.117 1.243 16.380) 16.935 34.504 ( -3.500 -16.044 -17.669) 24.121 ======================= Grid point 260 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 17.061 -16.391 18.380) 29.959 2.819 ( 12.605 -14.515 23.022) 29.993 3.314 ( 27.450 -0.647 -2.303) 27.555 3.411 ( 20.787 -5.204 -1.912) 21.514 4.084 ( -4.233 -2.523 4.438) 6.631 4.242 ( 9.654 -23.576 -2.188) 25.570 4.420 ( -6.236 2.648 9.287) 11.496 4.813 ( 17.511 -2.455 3.496) 18.024 4.884 ( -5.417 -0.811 4.632) 7.174 5.150 ( -1.783 2.956 7.905) 8.626 5.361 ( 2.889 12.543 7.623) 14.959 5.901 ( -5.929 -10.881 1.652) 12.501 6.213 ( -8.518 5.511 -5.210) 11.405 6.315 ( -6.902 0.458 11.264) 13.218 7.047 ( -0.081 -2.419 -8.391) 8.733 7.168 ( 0.012 3.607 -17.441) 17.810 7.583 ( -1.714 -10.151 1.363) 10.385 8.700 ( -22.584 -10.707 -12.006) 27.728 11.883 ( 2.420 0.699 4.038) 4.759 12.071 ( 4.822 -1.002 -1.595) 5.176 14.262 ( 3.113 4.295 3.679) 6.455 14.527 ( 3.606 4.926 -3.617) 7.096 16.999 ( -0.299 -1.843 4.960) 5.300 17.240 ( -0.997 0.196 -1.821) 2.085 17.430 ( 0.564 2.720 -1.200) 3.026 17.657 ( -2.418 0.593 -4.938) 5.531 19.285 ( -0.263 -3.334 -0.176) 3.349 19.409 ( -0.679 -6.517 -5.295) 8.425 28.900 ( 0.056 -0.118 0.347) 0.371 28.966 ( -0.161 0.349 -1.240) 1.298 31.821 ( -1.136 -1.696 9.564) 9.780 32.160 ( 4.632 -0.805 -2.311) 5.238 32.474 ( 3.577 12.524 0.786) 13.049 32.656 ( 5.109 13.067 -1.935) 14.163 33.407 ( -1.741 -4.299 20.219) 20.744 34.682 ( -4.948 -14.884 -18.730) 24.430 ======================= Grid point 261 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 8.230 -9.367 21.222) 24.614 3.234 ( 7.041 -19.142 7.786) 21.831 3.439 ( 6.427 9.358 0.511) 11.363 3.662 ( 19.067 -3.905 -3.461) 19.768 4.141 ( 3.358 -0.547 5.616) 6.566 4.392 ( -3.383 -4.463 -1.250) 5.738 4.663 ( -1.819 -6.340 17.952) 19.126 4.749 ( 1.967 -3.134 9.908) 10.577 4.946 ( 1.951 0.444 8.499) 8.732 5.165 ( 1.040 12.489 8.890) 15.365 5.360 ( 8.599 -15.566 -6.062) 18.788 5.968 ( -3.524 -6.050 -4.508) 8.327 6.039 ( -8.460 -0.888 -0.547) 8.524 6.330 ( -0.715 -8.178 10.841) 13.599 7.060 ( -3.739 -1.475 -3.165) 5.116 7.114 ( -0.012 3.484 -21.603) 21.882 7.696 ( -1.251 -9.183 -0.898) 9.312 8.523 ( -21.040 -3.944 -8.615) 23.075 11.900 ( 1.615 0.557 4.462) 4.778 12.135 ( 3.803 0.022 -2.092) 4.340 14.242 ( 2.932 3.705 3.190) 5.701 14.495 ( 3.587 5.704 -3.691) 7.683 17.030 ( 0.803 -1.497 2.645) 3.144 17.224 ( -0.799 0.188 -2.172) 2.322 17.399 ( -0.322 1.457 0.444) 1.557 17.603 ( -2.685 2.035 -3.317) 4.728 19.343 ( 0.966 -3.637 -0.191) 3.768 19.481 ( -0.496 -4.357 -5.224) 6.820 28.904 ( 0.098 -0.231 -0.117) 0.277 28.956 ( -0.256 0.661 -1.308) 1.487 31.856 ( 1.304 -2.445 7.803) 8.281 32.213 ( 2.331 0.030 -3.548) 4.245 32.357 ( 4.807 10.568 -0.098) 11.610 32.514 ( 2.450 11.978 -2.043) 12.396 33.469 ( -0.352 -4.957 21.874) 22.432 34.810 ( -5.081 -11.357 -18.199) 22.045 ======================= Grid point 262 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 3.007 -5.165 13.054) 14.357 3.229 ( -1.448 6.804 -0.990) 7.026 3.724 ( 9.251 -14.947 4.374) 18.115 3.930 ( 13.808 -2.397 7.605) 15.945 4.159 ( -1.411 6.168 6.500) 9.070 4.313 ( -9.348 4.876 6.390) 12.328 4.534 ( -0.226 -2.955 11.322) 11.704 4.754 ( -7.588 4.840 0.267) 9.004 4.926 ( -5.461 6.837 14.166) 16.651 5.221 ( 6.439 -14.619 11.920) 19.932 5.635 ( 1.624 -8.465 -5.254) 10.094 5.981 ( -0.400 -3.807 -2.380) 4.508 6.089 ( 0.541 -7.040 -6.123) 9.346 6.482 ( 2.057 -9.187 11.215) 14.643 6.979 ( -7.414 1.464 1.845) 7.779 7.066 ( -0.074 3.016 -22.863) 23.061 7.862 ( 2.157 -13.332 -4.033) 14.095 8.281 ( -17.754 1.564 -7.019) 19.155 11.906 ( 0.629 0.675 4.499) 4.592 12.167 ( 2.469 1.185 -2.567) 3.754 14.227 ( 2.117 2.898 2.603) 4.434 14.455 ( 2.847 5.411 -3.604) 7.097 17.057 ( 1.247 -0.214 0.654) 1.425 17.219 ( -0.012 -0.342 -2.344) 2.369 17.384 ( -0.776 -0.442 1.800) 2.010 17.536 ( -2.268 2.197 -1.689) 3.581 19.407 ( 1.359 -2.567 -0.310) 2.921 19.531 ( 0.886 -2.441 -4.500) 5.195 28.910 ( 0.158 -0.414 -0.487) 0.659 28.942 ( -0.159 0.749 -1.441) 1.631 31.911 ( 1.653 -1.809 5.227) 5.773 32.216 ( 0.031 1.811 -5.210) 5.516 32.283 ( 4.321 7.771 1.295) 8.985 32.404 ( 4.269 7.802 -1.366) 8.998 33.521 ( -1.323 -3.225 22.473) 22.742 34.890 ( -4.664 -8.336 -17.904) 20.293 ======================= Grid point 263 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 4.429 -3.061 6.237) 8.239 3.140 ( 1.653 5.450 -0.346) 5.705 3.768 ( -16.069 11.704 8.104) 21.468 3.927 ( -13.184 6.851 2.736) 15.108 4.026 ( 4.261 -2.793 6.427) 8.201 4.256 ( 0.361 -3.046 18.960) 19.207 4.571 ( -0.751 -0.638 4.254) 4.367 4.730 ( 4.465 -6.432 5.081) 9.334 4.824 ( -2.014 0.853 11.407) 11.615 5.392 ( -1.415 -1.574 7.923) 8.201 5.697 ( -1.625 -2.046 -1.116) 2.841 6.042 ( 2.363 -1.544 -2.159) 3.553 6.166 ( 0.442 -1.406 -7.178) 7.328 6.558 ( -2.460 0.725 12.318) 12.582 6.917 ( -3.537 -5.509 0.727) 6.587 7.030 ( -1.098 0.561 -22.888) 22.922 7.988 ( -7.749 4.458 -3.452) 9.583 8.201 ( -0.080 -20.046 -7.983) 21.578 11.895 ( -0.388 0.995 4.332) 4.462 12.164 ( 1.008 2.315 -2.853) 3.810 14.210 ( 1.128 2.215 1.975) 3.175 14.412 ( 1.594 4.237 -3.489) 5.716 17.070 ( 1.591 0.672 0.132) 1.732 17.232 ( 1.053 -0.425 -2.675) 2.906 17.381 ( -1.751 -0.543 2.730) 3.289 17.499 ( -0.840 -0.720 -0.618) 1.267 19.445 ( 1.184 -0.271 -0.135) 1.222 19.583 ( 2.905 -1.287 -4.403) 5.430 28.917 ( 0.032 -0.081 -0.538) 0.545 28.935 ( 0.264 0.087 -1.513) 1.538 31.931 ( -0.048 1.074 3.839) 3.987 32.170 ( 0.471 3.156 -4.129) 5.218 32.255 ( 2.265 2.492 1.198) 3.574 32.388 ( 6.737 4.931 -1.761) 8.532 33.526 ( -2.977 -1.313 23.162) 23.390 34.938 ( -3.756 -5.861 -18.431) 19.702 ======================= Grid point 264 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -11.500 16.546 4.959) 20.751 3.153 ( -2.078 1.902 2.364) 3.677 3.374 ( -13.917 14.417 7.493) 21.393 3.639 ( -5.213 3.377 0.984) 6.288 4.058 ( -2.712 -2.344 7.013) 7.876 4.378 ( 0.472 -12.107 13.119) 17.858 4.600 ( 2.449 3.232 5.119) 6.531 4.810 ( -3.253 -5.941 20.555) 21.643 4.851 ( 2.368 0.600 2.571) 3.547 5.205 ( -6.777 16.788 9.161) 20.290 5.614 ( -6.236 9.863 -4.320) 12.443 6.115 ( 6.031 -2.011 -1.683) 6.577 6.189 ( 3.940 -1.092 -2.074) 4.584 6.475 ( -2.720 3.410 7.984) 9.098 6.980 ( -1.960 -5.076 -8.578) 10.158 7.029 ( -3.209 -3.927 -14.985) 15.820 7.825 ( -5.393 3.585 -2.023) 6.785 8.571 ( 4.053 -23.348 -9.476) 25.521 11.867 ( -1.211 1.319 4.000) 4.382 12.126 ( -0.383 3.299 -2.897) 4.407 14.192 ( 0.476 1.641 1.341) 2.172 14.376 ( 0.268 2.133 -3.436) 4.053 17.082 ( 2.241 1.090 1.204) 2.768 17.255 ( 1.715 -0.137 -2.659) 3.168 17.351 ( -2.600 0.220 3.563) 4.417 17.535 ( 0.010 -4.134 -0.939) 4.240 19.451 ( 1.587 1.760 0.358) 2.397 19.637 ( 3.964 0.387 -5.287) 6.620 28.914 ( 0.111 0.377 -0.478) 0.618 28.946 ( 0.480 -0.666 -1.209) 1.461 31.888 ( -1.095 2.601 5.406) 6.098 32.159 ( 1.212 0.379 -1.506) 1.969 32.241 ( 0.688 2.199 -1.330) 2.660 32.414 ( 5.803 3.287 -2.883) 7.266 33.492 ( -3.437 -0.276 23.992) 24.239 34.967 ( -2.276 -3.397 -19.847) 20.263 ======================= Grid point 265 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -22.842 21.625 6.983) 32.220 2.893 ( -20.968 15.717 -8.521) 27.555 2.963 ( -4.641 17.395 24.185) 30.150 3.692 ( 5.793 3.000 -3.124) 7.233 4.134 ( 3.866 -5.678 5.744) 8.954 4.429 ( -1.942 5.609 7.219) 9.346 4.586 ( -0.100 -1.251 2.517) 2.812 4.679 ( -9.935 11.946 11.617) 19.399 4.898 ( 3.470 1.946 13.767) 14.331 4.995 ( -1.723 -7.003 18.179) 19.557 5.261 ( -11.240 18.431 -5.327) 22.235 6.225 ( 6.519 1.101 -0.435) 6.625 6.312 ( 7.782 -3.054 -0.387) 8.369 6.417 ( 0.862 1.210 5.073) 5.286 7.010 ( -2.793 -3.105 -9.693) 10.554 7.030 ( -4.570 -3.210 -16.836) 17.738 7.735 ( -2.961 2.236 1.748) 4.101 8.957 ( 4.809 -20.284 -14.638) 25.473 11.828 ( -1.594 1.441 3.463) 4.075 12.060 ( -1.414 4.020 -2.744) 5.069 14.176 ( 0.220 1.009 0.900) 1.370 14.362 ( -0.630 -0.709 -3.428) 3.557 17.098 ( 3.294 1.454 3.632) 5.114 17.277 ( 1.595 0.334 -2.096) 2.655 17.315 ( -3.464 -0.702 3.805) 5.193 17.603 ( 0.023 -4.687 -2.182) 5.170 19.439 ( 2.025 2.959 0.648) 3.644 19.666 ( 3.998 3.045 -6.686) 8.364 28.911 ( 0.281 0.333 -0.009) 0.436 28.961 ( 0.392 -0.580 -1.059) 1.270 31.856 ( -0.179 -0.273 8.520) 8.527 32.140 ( -0.734 3.971 3.630) 5.430 32.242 ( 1.210 -1.865 -5.643) 6.065 32.422 ( 1.516 2.599 -4.027) 5.027 33.459 ( -1.921 -0.365 23.989) 24.069 34.978 ( -0.423 -0.233 -21.981) 21.986 ======================= Grid point 266 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -19.676 24.115 9.389) 32.509 2.371 ( -16.949 19.282 -8.569) 27.064 2.609 ( -4.566 22.927 27.014) 35.725 3.423 ( -1.662 33.523 10.784) 35.254 4.236 ( 3.651 3.680 3.785) 6.418 4.391 ( -6.089 11.016 5.655) 13.799 4.457 ( 1.098 -10.020 4.295) 10.956 4.576 ( 7.753 8.592 -0.090) 11.573 4.827 ( -6.636 -0.704 0.522) 6.693 4.937 ( -7.128 5.543 -5.378) 10.510 5.243 ( 2.684 -18.665 34.412) 39.240 6.198 ( 1.821 8.044 5.019) 9.655 6.429 ( 4.296 -1.896 0.603) 4.734 6.485 ( 4.822 -2.066 -0.252) 5.252 6.967 ( -4.560 0.553 -7.057) 8.420 7.050 ( -1.630 -3.780 -20.785) 21.189 7.658 ( -1.680 4.530 3.589) 6.018 9.262 ( 4.316 -11.776 -22.888) 26.099 11.788 ( -1.310 1.273 2.726) 3.281 11.977 ( -1.547 4.285 -2.439) 5.168 14.171 ( -0.026 -0.221 1.241) 1.261 14.383 ( -0.675 -3.221 -3.444) 4.764 17.131 ( 4.759 1.049 6.598) 8.203 17.270 ( -3.842 -0.654 2.605) 4.688 17.292 ( -0.200 -0.024 -0.714) 0.742 17.667 ( 0.051 -3.694 -3.636) 5.183 19.416 ( 1.598 3.366 0.511) 3.761 19.642 ( 2.925 6.646 -8.037) 10.831 28.910 ( 0.229 0.396 0.429) 0.627 28.971 ( 0.173 -0.192 -1.051) 1.082 31.918 ( 2.235 -7.276 11.589) 13.865 32.049 ( -1.760 5.180 3.779) 6.649 32.299 ( 1.826 -0.842 -3.751) 4.256 32.381 ( -3.778 -0.705 -3.997) 5.545 33.457 ( -0.057 -0.855 22.503) 22.519 34.953 ( 0.889 4.629 -24.382) 24.833 ======================= Grid point 267 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -0.000 24.951 12.100) 27.730 1.954 ( -0.000 19.078 -9.312) 21.229 2.178 ( -0.000 30.610 26.557) 40.524 2.906 ( -0.000 30.100 27.497) 40.769 3.994 ( -0.000 23.242 -0.647) 23.251 4.251 ( -0.000 5.078 7.334) 8.921 4.619 ( 0.000 -9.004 0.320) 9.010 4.635 ( 0.000 -5.313 1.219) 5.451 4.824 ( 0.000 -4.022 -2.050) 4.514 4.850 ( -0.000 1.159 -3.317) 3.514 5.552 ( 0.000 -19.485 34.087) 39.263 6.085 ( -0.000 8.042 8.923) 12.013 6.477 ( 0.000 -0.922 0.806) 1.225 6.539 ( 0.000 -0.753 -0.978) 1.234 6.912 ( -0.000 1.909 -8.154) 8.374 7.092 ( 0.000 -3.366 -18.125) 18.435 7.551 ( -0.000 8.657 2.565) 9.029 9.372 ( -0.000 2.038 -31.525) 31.590 11.762 ( -0.000 0.836 2.022) 2.188 11.906 ( -0.000 3.619 -1.934) 4.103 14.188 ( 0.000 -2.343 2.726) 3.595 14.434 ( 0.000 -3.998 -3.424) 5.264 17.187 ( 0.000 -1.281 9.967) 10.049 17.230 ( 0.000 -0.796 0.618) 1.008 17.288 ( -0.000 0.502 -0.979) 1.100 17.707 ( 0.000 -1.491 -5.139) 5.351 19.379 ( -0.000 3.152 0.039) 3.152 19.536 ( -0.000 10.522 -7.471) 12.905 28.904 ( -0.000 0.558 0.595) 0.815 28.972 ( -0.000 0.128 -1.156) 1.163 31.965 ( -0.000 4.033 3.727) 5.491 32.146 ( 0.000 -19.042 11.756) 22.379 32.238 ( -0.000 5.113 -3.788) 6.363 32.431 ( 0.000 -7.120 -0.826) 7.168 33.475 ( 0.000 -1.382 20.377) 20.424 34.839 ( -0.000 12.646 -25.061) 28.071 ======================= Grid point 270 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 18.451 -0.000 17.064) 25.132 2.581 ( 8.866 -0.000 28.395) 29.747 3.301 ( 48.037 -0.000 4.339) 48.232 3.441 ( 40.732 -0.000 -1.376) 40.756 3.678 ( 6.579 -0.000 0.820) 6.630 4.059 ( -17.511 0.000 3.178) 17.797 4.552 ( -10.183 0.000 1.427) 10.282 4.715 ( 4.798 -0.000 2.614) 5.464 4.864 ( 4.880 -0.000 5.180) 7.117 5.339 ( 8.378 -0.000 -6.873) 10.837 5.540 ( -8.105 0.000 17.251) 19.060 5.655 ( -5.634 0.000 5.125) 7.616 6.333 ( -9.881 0.000 13.653) 16.854 6.390 ( -7.835 0.000 -16.983) 18.703 7.158 ( -0.390 0.000 3.847) 3.866 7.184 ( -2.017 0.000 -2.404) 3.138 7.264 ( -1.835 0.000 -16.342) 16.445 8.420 ( -22.300 0.000 -10.205) 24.524 11.898 ( 2.118 -0.000 4.257) 4.755 12.053 ( 6.281 -0.000 -1.402) 6.436 14.350 ( 3.210 -0.000 3.902) 5.053 14.611 ( 4.105 -0.000 -3.442) 5.357 16.967 ( -0.484 0.000 6.165) 6.184 17.242 ( -0.745 0.000 -0.926) 1.189 17.491 ( -0.426 0.000 -4.018) 4.040 17.645 ( -1.945 0.000 -6.667) 6.945 19.241 ( 0.456 -0.000 -0.574) 0.733 19.278 ( 2.023 -0.000 -3.353) 3.916 28.899 ( 0.133 -0.000 0.652) 0.665 28.971 ( 0.027 -0.000 -1.244) 1.245 31.792 ( -1.926 0.000 9.888) 10.074 32.147 ( 5.540 -0.000 -3.407) 6.504 32.738 ( 5.544 -0.000 5.784) 8.011 32.908 ( 5.602 -0.000 -0.061) 5.602 33.370 ( -6.192 0.000 12.265) 13.740 34.325 ( -3.339 0.000 -15.769) 16.119 ======================= Grid point 271 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 17.497 -12.396 14.142) 25.687 2.749 ( 6.888 -8.733 26.221) 28.482 3.673 ( 13.450 7.434 -0.850) 15.391 3.737 ( 11.532 6.803 -0.494) 13.398 4.008 ( 15.299 -8.251 2.139) 17.514 4.104 ( 21.142 -17.466 3.244) 27.615 4.368 ( -9.325 3.934 4.090) 10.916 4.707 ( -9.231 -7.651 2.299) 12.209 5.042 ( 17.154 1.147 3.603) 17.566 5.214 ( -5.410 11.299 10.642) 16.437 5.567 ( 4.218 7.694 -0.026) 8.775 5.627 ( -7.234 -14.233 3.704) 16.390 6.179 ( -11.221 5.585 -8.096) 14.921 6.188 ( -14.075 0.647 14.187) 19.995 7.022 ( -3.009 2.940 -3.821) 5.683 7.204 ( -1.165 1.766 -16.012) 16.151 7.364 ( -4.204 -14.001 -2.438) 14.821 8.232 ( -20.085 -10.204 -7.469) 23.735 11.918 ( 1.684 0.470 5.117) 5.408 12.135 ( 5.907 -0.032 -1.885) 6.201 14.369 ( 3.814 3.402 3.939) 6.453 14.645 ( 4.759 3.286 -3.750) 6.893 16.980 ( 0.872 -1.253 5.159) 5.380 17.232 ( -0.722 0.146 -0.947) 1.200 17.460 ( -1.406 1.887 -3.056) 3.857 17.622 ( -2.508 -0.379 -6.477) 6.956 19.261 ( 1.590 -1.284 -0.545) 2.115 19.343 ( 2.304 -3.737 -4.364) 6.190 28.900 ( 0.092 -0.024 0.539) 0.547 28.969 ( -0.062 0.234 -1.233) 1.257 31.794 ( 0.627 -1.317 9.607) 9.717 32.211 ( 3.919 -0.124 -5.228) 6.535 32.715 ( 5.554 11.215 4.001) 13.139 32.927 ( 6.536 10.691 -1.051) 12.575 33.300 ( -4.666 -3.907 16.085) 17.198 34.389 ( -5.472 -13.658 -16.081) 21.797 ======================= Grid point 272 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 9.940 -7.651 22.681) 25.918 3.011 ( 2.619 -17.029 6.815) 18.528 3.591 ( 0.398 2.233 4.584) 5.115 3.920 ( 15.802 3.152 -5.918) 17.165 4.138 ( -0.258 -5.930 7.959) 9.929 4.319 ( -0.542 1.386 1.862) 2.384 4.582 ( 13.583 -8.077 5.020) 16.582 4.699 ( -5.084 -4.170 7.723) 10.143 4.943 ( -9.017 5.702 10.490) 14.962 5.294 ( 6.000 -0.958 1.247) 6.203 5.385 ( -0.262 8.264 5.674) 10.027 5.806 ( 1.737 -11.407 -2.996) 11.922 5.895 ( -13.661 0.092 -2.368) 13.865 6.178 ( -2.648 -8.987 13.153) 16.148 6.967 ( -5.878 -1.388 -4.356) 7.447 7.161 ( -0.254 2.605 -20.087) 20.257 7.498 ( -4.802 -12.605 -2.966) 13.811 8.142 ( -17.521 -9.440 -5.892) 20.756 11.929 ( 1.265 0.743 5.403) 5.599 12.200 ( 4.830 0.875 -2.548) 5.530 14.356 ( 3.925 5.041 3.769) 7.418 14.639 ( 4.808 5.923 -4.040) 8.633 17.020 ( 1.554 -1.870 3.892) 4.589 17.219 ( -0.688 0.295 -1.002) 1.251 17.411 ( -1.567 1.800 -1.729) 2.947 17.585 ( -2.759 0.764 -5.438) 6.145 19.317 ( 2.141 -2.728 -0.270) 3.478 19.428 ( 1.905 -3.929 -4.537) 6.297 28.902 ( 0.104 -0.106 0.209) 0.256 28.962 ( -0.115 0.534 -1.290) 1.401 31.841 ( 2.124 -2.376 8.442) 9.024 32.248 ( 2.131 0.624 -5.624) 6.047 32.608 ( 6.190 12.738 2.096) 14.317 32.776 ( 4.294 16.204 -1.629) 16.842 33.363 ( -1.515 -7.421 18.333) 19.836 34.528 ( -6.877 -15.183 -15.974) 23.086 ======================= Grid point 273 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 3.370 -3.868 17.767) 18.493 3.217 ( -0.232 -8.066 0.332) 8.076 3.639 ( 0.436 -3.532 2.183) 4.175 4.074 ( 7.613 -9.147 6.339) 13.484 4.156 ( -9.861 9.130 4.188) 14.076 4.340 ( 4.367 4.886 2.500) 7.014 4.489 ( -4.020 -0.545 9.347) 10.189 4.678 ( -8.876 -0.384 3.447) 9.529 4.906 ( -4.633 2.996 14.505) 15.519 5.148 ( 0.742 -2.501 15.507) 15.725 5.509 ( -1.589 -9.191 -7.054) 11.695 5.902 ( 1.612 -7.857 -1.514) 8.163 5.996 ( 4.611 -8.306 -5.157) 10.809 6.340 ( 1.192 -12.429 11.197) 16.771 6.881 ( -8.663 0.355 -1.760) 8.847 7.111 ( -0.917 3.521 -20.077) 20.404 7.636 ( -4.472 -15.290 -5.367) 16.810 8.036 ( -13.786 -3.831 -5.202) 15.225 11.928 ( 0.652 1.119 5.331) 5.486 12.232 ( 3.463 2.104 -3.182) 5.152 14.325 ( 3.216 5.373 3.338) 7.096 14.599 ( 4.128 7.393 -4.178) 9.442 17.068 ( 1.927 -1.307 2.302) 3.274 17.211 ( -0.246 -0.423 -0.698) 0.852 17.372 ( -1.354 0.810 -0.566) 1.676 17.532 ( -2.446 1.622 -3.901) 4.882 19.388 ( 1.966 -2.963 -0.070) 3.557 19.508 ( 2.229 -3.424 -4.099) 5.787 28.907 ( 0.137 -0.276 -0.153) 0.345 28.952 ( -0.031 0.713 -1.417) 1.586 31.907 ( 2.231 -2.187 6.445) 7.162 32.247 ( 0.723 1.933 -4.919) 5.335 32.496 ( 4.254 12.179 1.567) 12.995 32.635 ( 7.528 12.010 -1.791) 14.287 33.434 ( -2.232 -4.979 19.105) 19.869 34.647 ( -7.070 -13.388 -16.114) 22.111 ======================= Grid point 274 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 5.473 -6.706 9.138) 12.587 3.260 ( 2.167 5.050 -0.472) 5.516 3.634 ( -14.605 -1.601 4.095) 15.253 3.804 ( -15.105 6.227 3.682) 16.748 4.079 ( -10.498 8.652 7.015) 15.306 4.225 ( -4.889 0.604 5.192) 7.157 4.555 ( 6.549 -6.154 10.470) 13.798 4.700 ( -1.320 1.580 26.355) 26.435 4.855 ( 8.557 -2.424 -0.418) 8.903 5.281 ( -1.489 -9.436 9.184) 13.251 5.609 ( -1.636 -7.590 -5.148) 9.316 6.041 ( 3.956 -4.632 -1.858) 6.369 6.145 ( 3.563 -3.949 -5.792) 7.864 6.499 ( -1.596 -5.987 11.175) 12.778 6.765 ( -8.300 -2.990 0.138) 8.823 7.035 ( -2.647 3.264 -21.557) 21.963 7.825 ( -10.402 -17.380 -6.323) 21.219 7.934 ( -2.609 -3.882 -5.042) 6.877 11.912 ( -0.026 1.594 5.059) 5.304 12.228 ( 2.015 3.349 -3.608) 5.319 14.284 ( 2.029 4.829 2.664) 5.876 14.533 ( 2.894 7.602 -4.193) 9.151 17.105 ( 2.330 0.089 1.119) 2.586 17.229 ( 0.518 -1.644 -0.376) 1.765 17.351 ( -1.416 -0.075 0.342) 1.458 17.484 ( -1.615 0.860 -2.245) 2.896 19.447 ( 1.501 -1.856 0.258) 2.401 19.590 ( 2.941 -3.049 -3.978) 5.811 28.914 ( 0.120 -0.383 -0.323) 0.515 28.943 ( 0.205 0.544 -1.515) 1.623 31.946 ( 0.900 0.143 4.372) 4.466 32.214 ( 0.039 2.779 -4.523) 5.309 32.386 ( 3.661 8.783 2.938) 9.959 32.602 ( 9.435 8.717 -2.798) 13.146 33.449 ( -3.816 -2.619 20.426) 20.944 34.742 ( -6.106 -11.345 -17.018) 21.345 ======================= Grid point 275 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -15.622 19.134 2.081) 24.788 3.172 ( 0.089 -0.279 -0.732) 0.788 3.405 ( -7.858 9.590 8.215) 14.873 3.598 ( -2.437 -0.287 2.941) 3.830 3.947 ( -8.132 -3.937 6.365) 11.052 4.215 ( -1.619 -9.193 10.281) 13.886 4.623 ( -4.217 -5.521 22.826) 23.860 4.748 ( 6.742 3.675 11.471) 13.804 4.954 ( 6.589 3.520 1.071) 7.547 5.295 ( -5.493 4.590 7.286) 10.214 5.642 ( -2.593 2.508 -2.890) 4.622 6.159 ( 6.639 -3.517 -1.047) 7.585 6.226 ( 5.413 -1.668 -3.216) 6.514 6.465 ( -3.885 1.085 8.013) 8.971 6.792 ( -7.102 -10.653 0.989) 12.841 6.966 ( -3.348 0.213 -23.133) 23.375 7.773 ( -6.641 -0.440 -5.392) 8.566 8.202 ( -0.983 -25.872 -6.602) 26.719 11.881 ( -0.524 2.029 4.630) 5.083 12.188 ( 0.704 4.424 -3.739) 5.835 14.240 ( 0.961 3.623 1.749) 4.136 14.456 ( 1.521 6.542 -4.142) 7.891 17.132 ( 2.992 0.741 1.364) 3.371 17.263 ( 0.495 -1.549 0.099) 1.629 17.326 ( -1.732 0.802 0.817) 2.076 17.479 ( -0.683 -2.430 -1.361) 2.868 19.481 ( 1.319 -0.282 0.741) 1.539 19.669 ( 2.964 -2.198 -4.588) 5.888 28.918 ( 0.110 -0.014 -0.383) 0.399 28.944 ( 0.390 -0.232 -1.314) 1.390 31.922 ( -0.444 3.102 4.354) 5.364 32.187 ( 0.715 1.028 -4.865) 5.023 32.322 ( 2.329 6.313 3.521) 7.594 32.597 ( 7.838 7.967 -3.764) 11.793 33.426 ( -3.995 -1.730 22.346) 22.766 34.827 ( -4.051 -9.280 -18.692) 21.258 ======================= Grid point 276 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -13.447 23.544 5.387) 27.644 2.903 ( -12.586 15.267 -7.844) 21.284 3.198 ( 0.513 16.816 19.341) 25.634 3.728 ( 5.779 -6.603 -0.613) 8.796 4.010 ( -1.050 -12.869 6.304) 14.369 4.369 ( -1.159 -11.243 -1.242) 11.371 4.669 ( 2.425 4.064 11.594) 12.522 4.717 ( -2.265 -0.508 23.817) 23.930 4.906 ( 1.144 12.120 16.956) 20.873 5.049 ( -3.905 10.331 0.116) 11.045 5.424 ( -6.005 18.003 -2.621) 19.158 6.301 ( 6.246 -2.073 0.291) 6.587 6.363 ( 6.238 -3.082 0.223) 6.962 6.428 ( 0.209 -0.779 2.619) 2.740 6.843 ( -7.241 -9.208 -0.436) 11.723 6.949 ( -2.080 -2.699 -22.670) 22.924 7.714 ( -2.544 0.389 -3.297) 4.182 8.604 ( -0.320 -28.905 -10.116) 30.626 11.842 ( -0.582 2.231 4.039) 4.651 12.120 ( -0.139 5.143 -3.570) 6.262 14.205 ( 0.354 2.214 0.694) 2.347 14.387 ( 0.387 4.123 -3.958) 5.728 17.163 ( 3.757 0.865 2.752) 4.737 17.263 ( -3.326 -0.180 3.969) 5.181 17.303 ( 0.797 0.741 -1.684) 2.005 17.529 ( -0.296 -4.746 -1.775) 5.076 19.490 ( 1.007 1.196 1.036) 1.875 19.723 ( 2.024 -0.466 -5.761) 6.124 28.918 ( 0.165 0.209 -0.223) 0.347 28.956 ( 0.254 -0.665 -1.024) 1.247 31.868 ( -0.413 2.581 6.332) 6.851 32.202 ( 1.576 -0.100 -3.469) 3.811 32.245 ( -0.448 5.172 1.641) 5.445 32.552 ( 3.529 8.477 -4.485) 10.219 33.412 ( -2.000 -2.072 23.770) 23.943 34.909 ( -1.543 -6.561 -20.856) 21.918 ======================= Grid point 277 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -0.000 26.202 7.671) 27.302 2.553 ( -0.000 19.384 -8.461) 21.150 2.912 ( -0.000 21.121 24.929) 32.673 3.775 ( -0.000 9.860 -3.312) 10.402 4.231 ( 0.000 -14.574 4.745) 15.327 4.452 ( -0.000 20.396 18.347) 27.434 4.453 ( -0.000 1.954 1.079) 2.233 4.631 ( 0.000 -3.569 1.765) 3.982 4.955 ( -0.000 4.635 -4.817) 6.685 4.982 ( 0.000 -10.177 24.646) 26.665 5.038 ( -0.000 20.080 9.342) 22.147 6.309 ( -0.000 5.088 3.811) 6.357 6.426 ( 0.000 -2.597 0.814) 2.721 6.495 ( 0.000 -2.339 -1.152) 2.607 6.898 ( 0.000 -4.980 -4.556) 6.750 6.984 ( 0.000 -3.624 -20.910) 21.221 7.687 ( -0.000 1.451 0.415) 1.509 9.007 ( 0.000 -24.403 -16.222) 29.303 11.805 ( -0.000 2.033 3.335) 3.905 12.040 ( -0.000 5.222 -3.119) 6.083 14.182 ( -0.000 1.316 0.099) 1.319 14.355 ( -0.000 0.265 -3.580) 3.590 17.200 ( -0.000 1.447 8.233) 8.359 17.212 ( 0.000 -0.372 0.980) 1.048 17.302 ( -0.000 0.462 -1.483) 1.554 17.601 ( 0.000 -4.985 -2.624) 5.633 19.470 ( -0.000 2.475 0.942) 2.648 19.726 ( -0.000 2.360 -7.246) 7.621 28.916 ( -0.000 0.278 0.151) 0.316 28.967 ( 0.000 -0.514 -0.955) 1.085 31.855 ( 0.000 -1.765 9.202) 9.370 32.131 ( -0.000 6.974 4.213) 8.148 32.263 ( 0.000 -4.248 -5.732) 7.135 32.444 ( -0.000 8.521 -4.408) 9.593 33.432 ( 0.000 -1.984 23.676) 23.759 34.969 ( 0.000 -2.308 -23.091) 23.206 ======================= Grid point 282 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 16.047 -0.000 8.301) 18.067 2.778 ( 6.841 -0.000 26.807) 27.666 3.616 ( -14.684 0.000 8.198) 16.818 3.871 ( 6.663 -0.000 -2.900) 7.267 4.252 ( -9.087 0.000 0.555) 9.104 4.323 ( 25.193 -0.000 2.856) 25.354 4.407 ( 31.921 -0.000 0.786) 31.931 4.480 ( -12.878 0.000 4.012) 13.489 5.206 ( -10.221 0.000 3.930) 10.950 5.332 ( 10.876 -0.000 6.073) 12.457 5.349 ( -5.032 0.000 6.635) 8.327 5.673 ( 1.891 -0.000 -4.149) 4.560 6.001 ( -12.048 0.000 24.166) 27.003 6.025 ( -18.460 0.000 -13.178) 22.681 7.027 ( -8.312 0.000 -2.411) 8.655 7.119 ( -2.610 0.000 4.498) 5.200 7.223 ( -0.766 0.000 -22.092) 22.105 7.957 ( -11.337 0.000 -7.777) 13.748 11.941 ( 1.348 -0.000 5.870) 6.023 12.213 ( 5.762 -0.000 -2.528) 6.292 14.447 ( 4.056 -0.000 4.030) 5.718 14.738 ( 5.392 -0.000 -4.045) 6.741 16.986 ( 1.521 -0.000 5.032) 5.257 17.224 ( -0.737 0.000 -0.139) 0.750 17.448 ( -2.381 0.000 -3.263) 4.039 17.590 ( -2.069 0.000 -7.384) 7.668 19.277 ( 2.032 -0.000 -0.518) 2.098 19.355 ( 3.323 -0.000 -4.116) 5.290 28.901 ( 0.101 -0.000 0.622) 0.630 28.971 ( -0.053 0.000 -1.205) 1.206 31.802 ( 2.071 -0.000 9.545) 9.767 32.255 ( 2.962 -0.000 -6.385) 7.039 32.901 ( 6.732 -0.000 4.013) 7.837 33.092 ( 8.048 -0.000 2.811) 8.525 33.188 ( -7.777 0.000 11.085) 13.541 34.203 ( -5.810 0.000 -14.882) 15.976 ======================= Grid point 283 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 10.919 -9.155 8.812) 16.754 2.874 ( 2.260 -2.518 17.996) 18.311 3.510 ( -4.924 -6.741 8.934) 12.227 3.975 ( -6.894 -6.439 10.078) 13.804 4.065 ( -0.301 4.980 -6.711) 8.362 4.385 ( -4.849 -5.308 2.712) 7.685 4.563 ( 6.838 3.087 4.296) 8.646 4.781 ( 11.458 1.874 -1.490) 11.706 4.879 ( -12.818 3.365 6.093) 14.586 5.275 ( -8.282 1.185 8.368) 11.833 5.460 ( -6.305 4.879 1.288) 8.075 5.649 ( -5.160 -8.450 2.111) 10.123 5.820 ( 6.163 1.620 3.471) 7.256 6.023 ( 0.036 -8.380 9.524) 12.686 6.892 ( -6.006 1.958 -4.434) 7.718 7.156 ( -3.621 -3.812 -5.649) 7.717 7.251 ( -2.531 -7.517 -14.379) 16.422 7.879 ( -7.337 -4.136 -7.855) 11.517 11.954 ( 1.095 0.503 6.154) 6.271 12.277 ( 4.798 0.828 -3.275) 5.868 14.474 ( 3.996 3.402 4.046) 6.626 14.780 ( 5.306 3.791 -4.417) 7.876 17.018 ( 1.720 -1.286 4.636) 5.110 17.212 ( -0.786 0.129 0.260) 0.838 17.408 ( -2.160 1.013 -2.739) 3.633 17.562 ( -1.900 0.416 -7.174) 7.433 19.315 ( 2.078 -1.461 -0.157) 2.545 19.414 ( 2.676 -2.241 -3.934) 5.259 28.903 ( 0.150 -0.018 0.476) 0.499 28.968 ( -0.042 0.297 -1.224) 1.260 31.845 ( 2.802 -1.388 9.068) 9.592 32.285 ( 2.250 0.627 -6.021) 6.458 32.864 ( 4.166 11.698 3.565) 12.919 33.036 ( 0.368 10.879 -0.982) 10.930 33.240 ( 2.335 -7.035 13.227) 15.162 34.226 ( -6.640 -12.159 -14.007) 19.701 ======================= Grid point 284 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 0.434 -1.296 15.174) 15.235 3.055 ( 4.550 -13.544 4.840) 15.086 3.594 ( -3.675 -1.937 0.381) 4.171 3.902 ( -7.849 -6.579 7.587) 12.745 4.098 ( -5.205 -6.436 10.429) 13.314 4.401 ( -24.355 7.615 3.597) 25.770 4.404 ( -11.351 3.905 5.865) 13.360 4.583 ( 14.158 -8.737 -3.470) 16.995 4.994 ( 1.715 9.156 13.331) 16.264 5.131 ( -1.739 1.472 14.635) 14.812 5.301 ( -8.729 -9.028 -6.100) 13.961 5.818 ( 4.548 -9.249 3.670) 10.941 5.990 ( 9.601 -5.015 -2.371) 11.088 6.188 ( 2.861 -9.832 7.607) 12.756 6.788 ( -7.052 1.576 -4.692) 8.615 7.129 ( -2.893 1.181 -12.042) 12.441 7.348 ( -5.110 -11.820 -8.778) 15.585 7.858 ( -5.236 -3.656 -7.441) 9.806 11.954 ( 0.697 1.103 6.103) 6.241 12.310 ( 3.467 2.071 -3.933) 5.637 14.453 ( 3.294 5.678 3.860) 7.615 14.764 ( 4.403 6.943 -4.698) 9.469 17.066 ( 1.724 -2.100 3.914) 4.764 17.202 ( -0.523 -0.102 0.548) 0.765 17.369 ( -1.405 0.995 -2.134) 2.741 17.526 ( -1.668 1.329 -6.060) 6.424 19.371 ( 1.659 -2.637 0.226) 3.124 19.487 ( 2.178 -3.396 -3.625) 5.424 28.906 ( 0.176 -0.088 0.190) 0.273 28.961 ( 0.031 0.537 -1.325) 1.430 31.907 ( 2.551 -1.944 7.832) 8.464 32.292 ( 1.672 2.067 -4.719) 5.416 32.713 ( 0.330 11.744 3.242) 12.187 32.910 ( 6.367 11.359 -2.796) 13.319 33.342 ( 0.188 -4.247 14.022) 14.652 34.342 ( -6.846 -14.653 -13.827) 21.279 ======================= Grid point 285 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 2.860 -7.641 8.858) 12.043 3.288 ( 3.993 -7.780 1.420) 8.859 3.463 ( -10.980 3.862 4.152) 12.358 3.723 ( -12.032 6.993 3.411) 14.329 3.967 ( -19.802 5.239 5.779) 21.283 4.085 ( -13.063 -3.092 2.611) 13.676 4.521 ( 7.103 -14.058 13.463) 20.720 4.766 ( -0.923 6.787 36.377) 37.016 4.932 ( 12.307 -7.015 -3.922) 14.698 5.168 ( 0.035 -0.757 3.813) 3.888 5.410 ( -2.967 -15.617 -8.804) 18.171 6.006 ( 4.877 -7.857 1.632) 9.391 6.161 ( 6.715 -3.530 -3.497) 8.354 6.346 ( -1.612 -9.401 6.344) 11.455 6.652 ( -8.428 2.774 -2.483) 9.214 7.048 ( -3.682 3.720 -12.573) 13.619 7.467 ( -5.857 -14.194 -8.259) 17.436 7.852 ( -2.473 -2.875 -7.301) 8.228 11.939 ( 0.237 1.736 5.829) 6.086 12.306 ( 2.041 3.386 -4.345) 5.874 14.397 ( 2.068 6.512 3.400) 7.632 14.694 ( 2.897 8.702 -4.817) 10.360 17.121 ( 1.919 -1.987 2.945) 4.037 17.206 ( -0.290 -1.135 1.121) 1.622 17.344 ( -0.712 0.649 -1.788) 2.031 17.484 ( -1.227 1.660 -4.429) 4.886 19.429 ( 1.085 -2.775 0.610) 3.041 19.569 ( 1.977 -4.035 -3.535) 5.717 28.910 ( 0.134 -0.242 -0.046) 0.280 28.954 ( 0.145 0.582 -1.458) 1.577 31.956 ( 1.366 -0.833 5.783) 6.000 32.266 ( 0.821 3.603 -3.730) 5.250 32.561 ( 0.965 9.405 3.823) 10.199 32.857 ( 7.972 9.348 -4.169) 12.974 33.370 ( -2.273 -1.776 16.095) 16.351 34.471 ( -5.683 -14.085 -14.813) 21.216 ======================= Grid point 286 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -9.705 10.518 0.270) 14.314 3.147 ( -3.102 3.166 -1.165) 4.583 3.434 ( 2.189 -1.473 8.588) 8.984 3.616 ( 3.749 1.363 5.739) 6.989 3.739 ( -12.574 -3.981 7.635) 15.240 4.025 ( -7.662 -9.111 -0.055) 11.904 4.538 ( -2.251 2.332 36.880) 37.022 4.928 ( 11.053 0.524 9.302) 14.456 5.068 ( 4.118 1.081 0.182) 4.262 5.178 ( -5.856 -8.137 9.359) 13.715 5.612 ( 1.224 -7.585 -9.896) 12.528 6.183 ( 7.488 -5.439 0.677) 9.280 6.285 ( 7.071 -2.225 -2.991) 7.994 6.388 ( -6.682 -3.412 5.600) 9.363 6.542 ( -8.863 -5.719 -1.695) 10.683 6.946 ( -2.916 3.207 -14.642) 15.270 7.603 ( -4.432 -12.163 -7.573) 14.998 7.913 ( -0.480 -10.119 -6.612) 12.098 11.910 ( -0.070 2.252 5.374) 5.827 12.265 ( 0.774 4.517 -4.425) 6.371 14.323 ( 0.824 5.861 2.639) 6.480 14.591 ( 1.274 8.795 -4.783) 10.092 17.171 ( 2.553 -0.813 2.152) 3.437 17.224 ( -1.236 -2.214 2.209) 3.363 17.328 ( -0.263 0.707 -1.861) 2.008 17.455 ( -0.585 0.294 -2.796) 2.871 19.476 ( 0.613 -1.984 0.985) 2.298 19.651 ( 1.363 -3.888 -3.905) 5.676 28.916 ( 0.067 -0.342 -0.171) 0.388 28.949 ( 0.176 0.308 -1.463) 1.505 31.959 ( 0.190 1.843 4.307) 4.689 32.219 ( 0.189 2.961 -4.051) 5.021 32.457 ( 1.477 7.588 4.657) 9.025 32.816 ( 5.416 8.950 -5.094) 11.636 33.355 ( -2.579 -1.326 19.368) 19.584 34.612 ( -3.030 -12.844 -16.686) 21.273 ======================= Grid point 287 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -0.000 21.413 3.480) 21.694 3.015 ( -0.000 10.691 -6.394) 12.457 3.429 ( -0.000 11.408 13.143) 17.404 3.676 ( 0.000 -5.656 4.410) 7.172 3.779 ( 0.000 -13.753 7.724) 15.774 4.165 ( 0.000 -13.869 -4.219) 14.497 4.556 ( 0.000 -6.988 40.609) 41.206 4.863 ( -0.000 11.323 3.087) 11.736 5.081 ( -0.000 3.134 -3.099) 4.408 5.167 ( -0.000 8.504 13.945) 16.334 5.594 ( -0.000 8.810 -3.146) 9.355 6.330 ( 0.000 -3.534 0.756) 3.614 6.339 ( 0.000 -1.809 3.385) 3.839 6.407 ( 0.000 -3.377 -1.434) 3.669 6.612 ( 0.000 -12.546 -1.491) 12.635 6.905 ( 0.000 -0.538 -19.001) 19.009 7.682 ( 0.000 -2.952 -6.695) 7.317 8.180 ( 0.000 -25.703 -6.616) 26.540 11.874 ( -0.000 2.470 4.753) 5.357 12.197 ( -0.000 5.212 -4.158) 6.667 14.253 ( -0.000 4.078 1.627) 4.391 14.478 ( -0.000 7.310 -4.543) 8.607 17.206 ( 0.000 -0.157 1.164) 1.175 17.227 ( 0.000 -0.571 4.356) 4.393 17.317 ( -0.000 0.611 -1.904) 2.000 17.468 ( 0.000 -2.750 -1.898) 3.341 19.500 ( 0.000 -0.587 1.166) 1.305 19.711 ( 0.000 -2.731 -4.687) 5.425 28.920 ( 0.000 -0.098 -0.277) 0.294 28.950 ( 0.000 -0.303 -1.220) 1.257 31.915 ( -0.000 3.704 4.695) 5.980 32.198 ( -0.000 0.106 -5.290) 5.291 32.355 ( -0.000 7.823 4.723) 9.138 32.716 ( -0.000 9.503 -5.233) 10.848 33.363 ( 0.000 -2.249 22.353) 22.466 34.767 ( 0.000 -10.589 -18.881) 21.648 ======================= Grid point 294 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 2.436 -0.000 1.815) 3.038 2.954 ( 7.088 -0.000 19.242) 20.506 3.378 ( -1.966 0.000 13.410) 13.553 3.809 ( -11.819 0.000 10.874) 16.060 4.140 ( 1.303 -0.000 -10.460) 10.541 4.147 ( -11.142 0.000 6.610) 12.955 4.544 ( -31.405 0.000 3.878) 31.643 4.783 ( 10.803 -0.000 4.924) 11.872 4.878 ( -9.842 0.000 -4.589) 10.859 5.216 ( 0.332 -0.000 -4.270) 4.283 5.307 ( -9.892 0.000 11.629) 15.267 5.621 ( 2.127 -0.000 18.987) 19.106 5.949 ( 9.516 -0.000 7.826) 12.321 6.009 ( 9.312 -0.000 -2.891) 9.750 6.841 ( -5.521 0.000 -5.389) 7.715 7.037 ( -3.301 0.000 6.003) 6.851 7.219 ( 0.145 -0.000 -24.440) 24.440 7.791 ( -3.003 0.000 -9.769) 10.220 11.971 ( 0.921 -0.000 6.541) 6.606 12.342 ( 3.955 -0.000 -4.015) 5.636 14.549 ( 3.544 -0.000 4.208) 5.502 14.877 ( 4.929 -0.000 -4.821) 6.894 17.029 ( 1.559 -0.000 4.885) 5.128 17.202 ( -0.816 0.000 1.022) 1.307 17.387 ( -1.973 0.000 -2.872) 3.484 17.546 ( -1.210 0.000 -7.825) 7.918 19.327 ( 1.551 -0.000 0.143) 1.558 19.429 ( 2.122 -0.000 -3.497) 4.091 28.906 ( 0.230 -0.000 0.540) 0.587 28.970 ( 0.003 -0.000 -1.173) 1.173 31.873 ( 2.947 -0.000 9.501) 9.948 32.323 ( 2.664 -0.000 -5.320) 5.950 32.965 ( -9.019 0.000 7.827) 11.942 33.064 ( 5.231 -0.000 -0.458) 5.251 33.298 ( 7.175 -0.000 4.677) 8.564 34.049 ( -5.383 0.000 -12.324) 13.449 ======================= Grid point 295 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -3.288 -4.397 3.819) 6.688 3.044 ( 8.928 -1.487 14.358) 16.973 3.473 ( -2.195 -6.977 3.400) 8.066 3.691 ( -9.086 -7.185 16.731) 20.350 3.985 ( -5.035 1.383 4.777) 7.077 4.121 ( -26.726 2.736 4.511) 27.242 4.202 ( -12.906 -5.187 0.829) 13.934 4.636 ( -1.444 -2.342 -6.954) 7.478 4.984 ( -1.452 -10.196 1.212) 10.370 5.140 ( -3.843 11.151 22.497) 25.401 5.258 ( 4.992 2.356 -4.479) 7.108 5.710 ( 0.705 -9.815 16.417) 19.141 6.087 ( 10.102 -0.512 0.323) 10.120 6.159 ( 7.069 -3.434 0.103) 7.860 6.750 ( -4.462 3.201 -5.977) 8.117 7.042 ( -3.807 -4.616 5.663) 8.238 7.230 ( -0.085 -1.744 -23.951) 24.015 7.777 ( -1.720 -1.732 -9.905) 10.201 11.976 ( 0.608 0.688 6.607) 6.671 12.376 ( 2.675 1.265 -4.590) 5.461 14.563 ( 2.600 3.570 4.207) 6.099 14.902 ( 3.661 4.250 -5.134) 7.604 17.058 ( 1.205 -1.391 4.746) 5.091 17.194 ( -0.552 -0.123 1.328) 1.443 17.362 ( -1.224 0.434 -2.697) 2.994 17.527 ( -0.845 0.893 -7.390) 7.492 19.356 ( 0.992 -1.604 0.482) 1.947 19.468 ( 1.394 -2.181 -3.208) 4.123 28.908 ( 0.227 0.035 0.405) 0.466 28.968 ( 0.045 0.278 -1.204) 1.237 31.917 ( 2.327 -1.078 9.245) 9.595 32.349 ( 2.784 1.571 -4.029) 5.143 32.807 ( -6.228 5.649 5.688) 10.151 33.091 ( 3.427 4.428 -4.001) 6.882 33.358 ( 4.457 1.865 7.407) 8.843 34.074 ( -4.421 -10.452 -11.162) 15.918 ======================= Grid point 296 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -0.783 -7.905 4.787) 9.275 3.231 ( 7.400 -6.994 9.425) 13.875 3.401 ( -7.845 1.628 2.992) 8.553 3.684 ( -5.303 1.535 6.858) 8.804 3.791 ( -15.509 2.873 3.701) 16.201 3.889 ( -9.884 1.636 3.125) 10.494 4.269 ( 0.610 -23.617 15.085) 28.030 4.847 ( 1.135 -2.138 18.576) 18.733 4.957 ( 5.298 -2.226 6.978) 9.040 5.103 ( -4.405 -12.210 -3.278) 13.388 5.251 ( 1.751 4.733 -3.216) 5.984 5.897 ( 1.501 -12.840 10.317) 16.540 6.201 ( 4.890 -1.328 -0.265) 5.074 6.266 ( 2.461 -2.559 -0.391) 3.572 6.629 ( -4.370 5.422 -5.444) 8.839 7.036 ( -2.676 -0.006 1.793) 3.221 7.279 ( -0.878 -6.026 -19.204) 20.147 7.791 ( -0.909 -2.413 -9.272) 9.624 11.966 ( 0.240 1.418 6.415) 6.574 12.373 ( 1.261 2.632 -4.879) 5.686 14.515 ( 1.287 6.123 3.959) 7.404 14.849 ( 1.823 7.613 -5.244) 9.422 17.101 ( 0.780 -2.617 4.320) 5.111 17.193 ( -0.195 -0.399 1.462) 1.528 17.345 ( -0.439 0.466 -2.524) 2.604 17.498 ( -0.513 1.720 -6.222) 6.476 19.398 ( 0.483 -2.707 0.783) 2.860 19.528 ( 0.836 -3.851 -3.159) 5.051 28.910 ( 0.116 -0.006 0.201) 0.232 28.963 ( 0.065 0.460 -1.330) 1.409 31.957 ( 1.076 -1.162 7.791) 7.950 32.339 ( 1.546 3.884 -3.152) 5.236 32.663 ( -2.370 5.770 5.041) 8.020 33.052 ( 3.390 6.490 -5.927) 9.420 33.361 ( 0.676 2.074 10.939) 11.154 34.206 ( -2.960 -13.505 -12.000) 18.307 ======================= Grid point 297 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 0.000 -7.535 1.276) 7.642 3.244 ( -0.000 9.806 -3.901) 10.554 3.400 ( 0.000 -6.242 17.431) 18.515 3.610 ( -0.000 1.428 4.512) 4.732 3.687 ( -0.000 1.384 6.339) 6.488 3.817 ( 0.000 -5.986 -0.786) 6.037 4.587 ( 0.000 -2.441 20.936) 21.078 4.800 ( 0.000 -15.021 35.768) 38.794 5.096 ( 0.000 -2.054 0.154) 2.060 5.163 ( -0.000 7.972 -1.485) 8.110 5.388 ( 0.000 -23.433 -15.260) 27.963 6.115 ( 0.000 -14.224 6.615) 15.687 6.248 ( 0.000 -1.678 0.431) 1.732 6.316 ( 0.000 -2.474 -1.586) 2.939 6.499 ( -0.000 6.435 -3.816) 7.481 6.984 ( -0.000 3.858 -4.770) 6.135 7.394 ( 0.000 -10.876 -12.511) 16.578 7.826 ( 0.000 -3.383 -8.260) 8.926 11.942 ( -0.000 2.002 5.996) 6.322 12.333 ( -0.000 3.813 -4.823) 6.148 14.425 ( -0.000 6.928 3.430) 7.730 14.734 ( -0.000 9.185 -5.131) 10.521 17.152 ( 0.000 -3.442 3.854) 5.167 17.198 ( 0.000 -0.389 1.411) 1.464 17.335 ( -0.000 0.546 -2.372) 2.434 17.468 ( -0.000 1.736 -4.602) 4.919 19.443 ( 0.000 -2.853 0.988) 3.019 19.597 ( 0.000 -4.482 -3.409) 5.631 28.912 ( 0.000 -0.200 0.013) 0.201 28.956 ( -0.000 0.491 -1.457) 1.538 31.974 ( 0.000 -0.081 5.655) 5.655 32.280 ( -0.000 4.778 -3.226) 5.765 32.567 ( -0.000 6.175 5.145) 8.038 32.976 ( -0.000 7.681 -6.166) 9.850 33.335 ( -0.000 0.918 15.301) 15.328 34.390 ( 0.000 -14.085 -14.228) 20.020 ======================= Grid point 306 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -2.295 0.000 4.316) 4.888 3.159 ( 8.365 -0.000 5.918) 10.247 3.431 ( 3.458 -0.000 10.104) 10.680 3.477 ( -11.626 0.000 19.837) 22.992 3.835 ( -18.442 0.000 5.238) 19.171 3.953 ( -3.392 0.000 9.054) 9.669 4.013 ( -9.402 0.000 -2.862) 9.828 4.517 ( -4.441 0.000 -11.635) 12.454 4.945 ( 2.560 -0.000 4.892) 5.522 5.211 ( -1.161 0.000 17.380) 17.419 5.328 ( 2.318 -0.000 -5.487) 5.957 5.614 ( -0.596 0.000 23.801) 23.809 6.193 ( 5.767 -0.000 0.268) 5.773 6.226 ( 5.317 -0.000 -1.367) 5.490 6.740 ( -2.138 0.000 -6.742) 7.073 6.968 ( -1.591 0.000 7.577) 7.742 7.222 ( 0.066 -0.000 -25.104) 25.104 7.751 ( -0.562 0.000 -10.880) 10.895 11.988 ( 0.340 -0.000 6.816) 6.824 12.413 ( 1.415 -0.000 -5.011) 5.206 14.617 ( 1.412 -0.000 4.368) 4.591 14.973 ( 2.045 -0.000 -5.420) 5.793 17.059 ( 0.630 -0.000 5.024) 5.063 17.186 ( -0.331 0.000 1.646) 1.679 17.352 ( -0.681 0.000 -2.794) 2.875 17.526 ( -0.354 0.000 -7.755) 7.763 19.353 ( 0.431 -0.000 0.666) 0.793 19.464 ( 0.624 -0.000 -2.947) 3.013 28.912 ( 0.165 -0.000 0.449) 0.478 28.970 ( 0.032 -0.000 -1.136) 1.137 31.934 ( 1.387 -0.000 10.073) 10.168 32.401 ( 2.798 -0.000 -3.123) 4.193 32.755 ( -5.796 0.000 5.762) 8.172 33.152 ( 1.522 -0.000 -5.958) 6.149 33.436 ( 2.890 -0.000 4.750) 5.560 33.952 ( -1.843 0.000 -8.788) 8.979 ======================= Grid point 307 (108/144) ======================= q-point: (-0.45 -0.55 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 0.000 -5.007 4.690) 6.861 3.266 ( 0.000 -3.459 -9.268) 9.893 3.309 ( -0.000 2.440 26.687) 26.798 3.615 ( 0.000 -11.060 11.437) 15.910 3.684 ( -0.000 2.473 5.147) 5.710 3.900 ( -0.000 5.305 -0.478) 5.326 3.988 ( 0.000 -10.168 12.876) 16.406 4.627 ( 0.000 -16.982 -11.209) 20.348 4.989 ( 0.000 -3.445 3.994) 5.274 5.098 ( -0.000 11.470 22.897) 25.609 5.322 ( -0.000 2.675 -4.959) 5.634 5.714 ( 0.000 -11.690 17.956) 21.426 6.230 ( -0.000 0.089 -0.006) 0.090 6.268 ( 0.000 -0.830 -1.331) 1.569 6.684 ( -0.000 4.909 -6.504) 8.148 6.989 ( 0.000 -3.227 7.500) 8.165 7.230 ( 0.000 -1.190 -24.851) 24.879 7.757 ( 0.000 -1.323 -10.564) 10.646 11.984 ( -0.000 0.774 6.748) 6.792 12.412 ( -0.000 1.401 -5.114) 5.302 14.598 ( -0.000 3.667 4.290) 5.644 14.952 ( -0.000 4.446 -5.461) 7.042 17.074 ( 0.000 -1.473 4.878) 5.095 17.186 ( 0.000 -0.270 1.676) 1.697 17.346 ( -0.000 0.197 -2.738) 2.745 17.516 ( -0.000 1.052 -7.333) 7.408 19.368 ( 0.000 -1.656 0.778) 1.830 19.486 ( 0.000 -2.346 -2.932) 3.755 28.912 ( -0.000 0.079 0.368) 0.376 28.969 ( -0.000 0.252 -1.189) 1.215 31.949 ( 0.000 -0.830 9.557) 9.593 32.403 ( -0.000 2.555 -2.807) 3.796 32.697 ( -0.000 2.357 5.399) 5.891 33.140 ( -0.000 3.011 -6.872) 7.503 33.421 ( -0.000 3.818 6.558) 7.588 34.015 ( 0.000 -9.299 -9.264) 13.126 ======================= Grid point 369 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 0.000 15.869) 15.869 1.390 ( 0.000 0.000 -13.201) 13.201 2.129 ( 0.000 0.000 28.587) 28.587 2.608 ( 0.000 0.000 -15.826) 15.826 4.060 ( 0.000 0.000 32.077) 32.077 4.362 ( 0.000 0.000 9.855) 9.855 4.563 ( 0.000 0.000 -9.392) 9.392 4.579 ( 0.000 0.000 -16.801) 16.801 4.875 ( 0.000 0.000 0.515) 0.515 4.881 ( 0.000 0.000 -0.068) 0.068 6.178 ( 0.000 0.000 9.148) 9.148 6.316 ( 0.000 0.000 3.834) 3.834 6.507 ( 0.000 0.000 0.990) 0.990 6.528 ( 0.000 0.000 -1.040) 1.040 6.915 ( 0.000 0.000 -5.006) 5.006 6.928 ( 0.000 0.000 -2.426) 2.426 7.564 ( 0.000 0.000 31.506) 31.506 8.365 ( 0.000 0.000 -41.857) 41.857 11.784 ( 0.000 0.000 1.630) 1.630 11.817 ( 0.000 0.000 -1.597) 1.597 14.346 ( 0.000 0.000 4.288) 4.288 14.431 ( 0.000 0.000 -3.959) 3.959 17.254 ( 0.000 0.000 0.418) 0.418 17.264 ( 0.000 0.000 -0.560) 0.560 17.392 ( 0.000 0.000 7.508) 7.508 17.550 ( 0.000 0.000 -7.675) 7.675 19.303 ( 0.000 0.000 1.335) 1.335 19.326 ( 0.000 0.000 -0.885) 0.885 28.911 ( 0.000 0.000 1.185) 1.185 28.939 ( 0.000 0.000 -1.471) 1.471 31.986 ( 0.000 0.000 4.384) 4.384 32.077 ( 0.000 0.000 -4.396) 4.396 32.552 ( 0.000 0.000 4.697) 4.697 32.659 ( 0.000 0.000 -5.647) 5.647 33.859 ( 0.000 0.000 14.675) 14.675 34.149 ( 0.000 0.000 -13.296) 13.296 ======================= Grid point 370 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 33.676 -9.518 12.762) 37.249 1.694 ( 29.151 -9.774 -11.252) 32.740 2.321 ( 4.014 -21.911 24.854) 33.375 2.738 ( 0.765 -17.127 -13.262) 21.675 4.094 ( -1.299 -5.809 27.596) 28.230 4.414 ( 4.895 -0.671 8.309) 9.667 4.527 ( -5.050 0.619 -10.964) 12.087 4.613 ( 6.184 0.033 -8.524) 10.531 4.843 ( -0.286 2.882 0.598) 2.958 4.876 ( 1.521 1.455 -2.187) 3.035 6.146 ( -4.191 1.515 13.545) 14.259 6.286 ( -7.772 -0.987 10.889) 13.414 6.442 ( -9.154 0.937 -4.203) 10.116 6.471 ( -4.081 -1.704 -8.370) 9.467 6.844 ( 7.588 13.396 -0.813) 15.418 6.919 ( 6.960 8.302 -5.893) 12.333 7.702 ( 0.287 -14.582 29.257) 32.691 8.455 ( -2.217 -11.753 -39.860) 41.616 11.807 ( 2.585 -0.643 1.823) 3.228 11.845 ( 2.496 -1.435 -1.825) 3.409 14.325 ( 0.891 3.294 4.444) 5.603 14.414 ( 0.932 2.972 -4.151) 5.190 17.226 ( -3.407 0.204 2.570) 4.273 17.257 ( -1.108 0.014 -1.017) 1.504 17.406 ( 2.093 0.310 6.311) 6.656 17.558 ( -0.154 -1.068 -7.828) 7.902 19.322 ( -1.723 -3.354 0.374) 3.789 19.335 ( -2.488 -3.898 -0.776) 4.689 28.914 ( 0.019 -0.340 1.152) 1.201 28.941 ( 0.016 -0.250 -1.423) 1.445 32.010 ( 0.974 -2.106 3.412) 4.126 32.070 ( -3.465 -2.034 -2.146) 4.554 32.525 ( 5.197 8.140 2.366) 9.943 32.578 ( 2.317 11.675 -2.433) 12.149 33.857 ( -2.041 -2.240 17.472) 17.733 34.212 ( -1.882 -9.057 -17.322) 19.638 ======================= Grid point 371 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 33.238 -11.072 11.701) 36.936 2.272 ( 32.359 -11.150 -9.772) 35.593 2.810 ( 11.686 -25.966 17.768) 33.563 3.104 ( 5.290 -23.956 -8.556) 25.983 4.193 ( -2.506 -10.301 11.899) 15.937 4.335 ( -8.619 3.324 -2.143) 9.483 4.615 ( 8.771 -5.242 6.997) 12.384 4.664 ( 3.508 0.618 4.377) 5.643 4.860 ( 6.249 0.108 -5.118) 8.078 4.887 ( 3.702 0.024 -4.341) 5.705 5.972 ( -10.039 7.955 21.806) 25.290 6.199 ( -9.812 -2.201 6.636) 12.048 6.312 ( -7.054 -0.340 -4.113) 8.172 6.487 ( -1.105 -2.851 -10.204) 10.652 6.750 ( 4.077 9.173 -3.027) 10.485 6.872 ( 5.143 8.009 -8.970) 13.079 7.907 ( -0.315 -11.460 27.142) 29.464 8.572 ( -5.552 -9.047 -34.406) 36.006 11.860 ( 3.512 -0.849 2.664) 4.490 11.914 ( 3.729 -1.971 -2.537) 4.922 14.284 ( 1.610 4.126 4.427) 6.262 14.376 ( 1.720 4.332 -4.366) 6.387 17.175 ( -3.645 0.168 4.278) 5.623 17.235 ( -1.923 0.291 -2.028) 2.810 17.429 ( 1.747 0.186 5.472) 5.747 17.568 ( -0.286 -0.372 -7.290) 7.305 19.344 ( -2.892 -4.284 0.975) 5.260 19.381 ( -3.062 -6.415 -2.745) 7.620 28.918 ( -0.186 -0.193 1.088) 1.121 28.944 ( -0.170 -0.081 -1.349) 1.362 32.045 ( -3.492 -1.651 2.866) 4.809 32.067 ( 0.105 -3.411 0.653) 3.475 32.419 ( 4.030 13.751 1.589) 14.418 32.460 ( 5.378 10.181 -2.203) 11.723 33.885 ( -1.552 -4.659 21.633) 22.183 34.332 ( -1.707 -9.637 -22.144) 24.211 ======================= Grid point 372 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 26.179 -12.387 10.857) 30.930 2.825 ( 26.606 -10.631 -9.322) 30.130 3.243 ( 8.625 -12.759 13.646) 20.577 3.437 ( 0.674 -12.248 -5.556) 13.466 4.222 ( -3.236 -0.869 3.641) 4.948 4.308 ( -0.152 -7.415 -5.364) 9.152 4.726 ( 5.707 -0.639 9.090) 10.752 4.872 ( 7.181 -2.722 -1.051) 7.751 4.896 ( 5.430 -8.492 7.897) 12.804 5.067 ( 8.211 -11.656 -5.986) 15.463 5.726 ( -8.187 7.748 27.109) 29.359 6.069 ( -10.258 0.222 -5.575) 11.677 6.261 ( -5.139 -0.511 4.892) 7.113 6.504 ( -0.711 -1.768 -5.679) 5.990 6.686 ( 2.079 5.026 -6.795) 8.704 6.859 ( 3.433 0.034 -12.301) 12.771 8.005 ( -2.470 -4.036 23.421) 23.894 8.552 ( -8.312 -0.428 -27.219) 28.463 11.917 ( 3.149 -0.773 3.677) 4.902 11.989 ( 3.370 -1.636 -3.241) 4.954 14.253 ( 1.871 3.068 3.962) 5.349 14.339 ( 2.075 3.857 -4.242) 6.098 17.130 ( -2.679 0.291 4.065) 4.877 17.202 ( -2.074 0.557 -2.978) 3.671 17.443 ( 0.878 0.120 4.976) 5.054 17.559 ( -0.565 0.836 -5.705) 5.793 19.375 ( -2.423 -4.484 1.615) 5.346 19.431 ( -2.960 -5.528 -3.986) 7.430 28.915 ( -0.348 0.120 0.902) 0.974 28.938 ( -0.401 0.335 -1.286) 1.389 32.018 ( -1.940 -0.122 6.126) 6.427 32.114 ( -0.432 -2.364 -3.127) 3.944 32.294 ( 3.198 9.065 3.453) 10.214 32.381 ( 3.001 7.746 -4.370) 9.386 33.948 ( 0.192 -4.727 24.163) 24.622 34.441 ( -0.625 -7.032 -23.847) 24.870 ======================= Grid point 373 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 10.408 -4.303 7.928) 13.773 3.151 ( 7.720 1.789 -6.092) 9.996 3.529 ( 11.722 -13.903 6.659) 19.366 3.596 ( 7.351 -12.119 -1.016) 14.211 4.249 ( 2.372 -1.174 7.257) 7.725 4.404 ( 1.042 -2.977 -7.360) 8.007 4.731 ( 1.316 6.378 5.079) 8.258 4.831 ( -1.736 5.669 -3.969) 7.135 5.258 ( 7.581 -17.086 8.950) 20.724 5.387 ( 6.283 -13.719 -4.531) 15.755 5.567 ( -2.711 1.790 31.820) 31.985 5.968 ( -5.581 -1.292 -7.685) 9.585 6.175 ( -5.031 1.958 6.173) 8.201 6.503 ( -0.846 2.012 -20.340) 20.457 6.703 ( 4.107 -3.840 7.963) 9.748 6.954 ( 3.860 -5.104 -11.594) 13.243 7.976 ( -3.654 1.103 16.474) 16.910 8.381 ( -9.548 7.057 -20.296) 23.514 11.961 ( 2.082 -0.535 4.352) 4.854 12.045 ( 2.210 -1.015 -3.715) 4.440 14.241 ( 1.498 1.605 3.393) 4.041 14.317 ( 1.720 2.433 -3.883) 4.894 17.097 ( -1.530 0.389 3.230) 3.595 17.169 ( -1.512 0.541 -3.559) 3.905 17.450 ( 0.302 -0.085 4.024) 4.036 17.531 ( -0.791 1.507 -3.629) 4.008 19.409 ( -1.375 -3.344 1.516) 3.920 19.463 ( -2.209 -3.408 -3.836) 5.587 28.908 ( -0.268 0.163 0.468) 0.564 28.925 ( -0.454 0.580 -1.121) 1.342 32.003 ( 0.054 0.471 5.800) 5.819 32.112 ( -0.352 1.672 -5.012) 5.296 32.244 ( 1.552 2.282 3.481) 4.442 32.316 ( 0.166 3.771 -3.434) 5.102 34.017 ( 1.032 -3.221 24.981) 25.209 34.519 ( 0.061 -4.040 -23.774) 24.115 ======================= Grid point 374 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 0.116 -0.439 2.910) 2.945 3.112 ( -0.774 3.759 -1.247) 4.036 3.911 ( 12.422 -13.194 5.181) 18.848 3.962 ( 11.775 -11.906 0.721) 16.760 4.237 ( -2.129 5.622 7.311) 9.465 4.380 ( -4.666 3.088 -5.727) 8.007 4.636 ( -0.320 3.725 2.428) 4.459 4.693 ( -4.301 4.608 -3.035) 6.996 5.440 ( -1.088 -0.100 24.272) 24.296 5.510 ( 3.166 -4.590 5.123) 7.572 5.686 ( 2.195 -6.779 6.534) 9.668 5.957 ( -1.021 -1.673 -5.834) 6.155 6.109 ( -1.750 0.520 3.563) 4.003 6.453 ( -0.537 2.092 -27.110) 27.196 6.862 ( 4.586 -6.574 13.063) 15.326 7.045 ( 0.831 -0.994 -2.427) 2.751 7.947 ( 0.678 -2.401 2.951) 3.865 8.135 ( -7.601 8.915 -13.096) 17.571 11.985 ( 0.720 -0.193 4.647) 4.706 12.075 ( 0.761 -0.342 -3.955) 4.042 14.241 ( 0.572 0.463 3.039) 3.127 14.310 ( 0.671 0.807 -3.594) 3.744 17.080 ( -0.490 0.190 2.690) 2.741 17.150 ( -0.542 0.221 -3.816) 3.861 17.457 ( 0.163 -0.339 2.665) 2.691 17.502 ( -0.500 1.012 -1.676) 2.021 19.433 ( -0.373 -1.264 1.024) 1.669 19.475 ( -0.874 -1.085 -3.171) 3.464 28.905 ( -0.014 -0.096 -0.118) 0.152 28.912 ( -0.278 0.445 -0.760) 0.924 32.003 ( 0.339 0.107 3.986) 4.002 32.081 ( 0.062 1.463 -3.757) 4.033 32.243 ( 0.223 -0.010 1.656) 1.671 32.278 ( -0.375 1.047 -1.703) 2.034 34.060 ( 0.528 -1.117 25.019) 25.049 34.560 ( 0.108 -1.297 -23.383) 23.419 ======================= Grid point 381 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 49.171 -0.000 8.083) 49.831 2.092 ( 27.163 -0.000 4.312) 27.504 2.254 ( 24.476 -0.000 12.455) 27.463 2.621 ( 3.620 -0.000 -13.692) 14.163 4.031 ( -2.145 0.000 27.950) 28.032 4.415 ( -9.829 0.000 -8.275) 12.849 4.538 ( 10.806 -0.000 8.394) 13.683 4.711 ( 5.093 -0.000 -6.213) 8.034 4.868 ( 3.304 -0.000 -3.049) 4.496 4.888 ( -0.115 0.000 -3.035) 3.037 6.077 ( -7.817 0.000 13.520) 15.617 6.147 ( -12.207 0.000 12.189) 17.251 6.331 ( -8.430 0.000 -7.561) 11.323 6.404 ( -2.617 0.000 -14.511) 14.745 7.071 ( 6.032 -0.000 -0.802) 6.085 7.087 ( 6.194 -0.000 -1.314) 6.332 7.546 ( -2.243 0.000 31.247) 31.327 8.300 ( -6.277 0.000 -37.538) 38.059 11.852 ( 4.465 -0.000 1.422) 4.686 11.881 ( 4.478 -0.000 -1.405) 4.693 14.369 ( 1.812 -0.000 4.330) 4.693 14.456 ( 1.926 -0.000 -4.041) 4.477 17.176 ( -3.935 0.000 5.029) 6.385 17.240 ( -1.532 0.000 -1.696) 2.285 17.435 ( 1.689 -0.000 2.792) 3.263 17.543 ( -0.637 0.000 -6.853) 6.882 19.264 ( -2.246 0.000 0.428) 2.286 19.271 ( -2.938 0.000 -0.318) 2.955 28.913 ( 0.147 -0.000 1.168) 1.177 28.941 ( 0.116 -0.000 -1.444) 1.449 32.009 ( -3.390 0.000 1.490) 3.703 32.014 ( 1.821 -0.000 0.784) 1.983 32.667 ( 6.775 -0.000 2.756) 7.314 32.728 ( 5.018 -0.000 -3.358) 6.038 33.796 ( -4.433 0.000 14.602) 15.260 34.093 ( -3.605 0.000 -14.347) 14.793 ======================= Grid point 382 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 17.006 -7.092 17.116) 25.149 2.566 ( 24.541 -5.395 -5.188) 25.657 2.831 ( 39.849 -9.428 3.103) 41.067 2.952 ( 25.410 -15.284 -5.580) 30.173 4.042 ( -2.083 -6.102 17.582) 18.727 4.251 ( -11.160 1.713 -3.629) 11.860 4.684 ( -3.033 1.395 5.173) 6.157 4.704 ( 10.451 -2.016 5.892) 12.166 4.897 ( 0.800 -1.022 -1.761) 2.187 4.982 ( 11.779 0.557 -9.023) 14.848 5.914 ( -11.361 4.321 15.000) 19.306 6.023 ( -11.045 -3.304 8.038) 14.054 6.227 ( -6.206 0.397 -5.222) 8.120 6.413 ( -1.510 -3.977 -14.865) 15.462 6.974 ( 1.134 15.140 3.083) 15.492 7.052 ( 1.807 8.861 -3.808) 9.813 7.668 ( -4.022 -16.233 24.595) 29.742 8.290 ( -11.207 -12.211 -31.461) 35.560 11.911 ( 4.542 0.180 2.247) 5.071 11.953 ( 5.131 -0.791 -1.875) 5.520 14.372 ( 2.660 3.396 4.531) 6.256 14.463 ( 2.820 3.127 -4.295) 6.015 17.132 ( -2.756 -0.110 5.926) 6.537 17.218 ( -1.488 0.376 -2.562) 2.986 17.447 ( 0.496 0.270 2.155) 2.227 17.543 ( -1.271 -1.311 -6.546) 6.796 19.258 ( -1.946 -2.550 0.243) 3.217 19.271 ( -1.430 -3.818 -1.188) 4.247 28.916 ( 0.061 -0.027 1.133) 1.135 28.942 ( 0.030 0.016 -1.405) 1.405 31.982 ( -2.216 -1.161 4.653) 5.283 32.049 ( 1.790 -1.305 -2.138) 3.078 32.667 ( 5.048 11.121 2.654) 12.498 32.713 ( 7.024 10.911 -1.973) 13.126 33.770 ( -4.202 -5.127 17.669) 18.871 34.136 ( -3.559 -10.774 -18.085) 21.350 ======================= Grid point 383 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 16.967 -15.613 14.552) 27.265 2.963 ( 15.814 -14.088 -7.110) 22.341 3.342 ( 22.302 1.568 3.649) 22.652 3.387 ( 16.290 -1.981 -1.078) 16.446 4.139 ( -1.315 -5.945 3.475) 7.011 4.212 ( 4.031 -8.586 -2.604) 9.836 4.693 ( 0.013 -8.936 13.416) 16.120 4.868 ( 1.259 -8.230 -3.220) 8.926 4.944 ( 9.156 2.385 6.514) 11.487 5.096 ( 8.217 2.160 -7.125) 11.088 5.710 ( -8.124 4.752 17.775) 20.113 5.920 ( -10.429 -2.354 -2.478) 10.975 6.171 ( -5.503 -2.136 5.676) 8.189 6.452 ( -1.545 -3.403 -9.212) 9.941 6.788 ( -0.920 8.146 -2.306) 8.516 6.927 ( -1.022 6.494 -8.963) 11.116 7.816 ( -6.872 -12.463 20.240) 24.743 8.306 ( -14.440 -11.301 -24.432) 30.548 11.961 ( 3.693 0.391 3.551) 5.139 12.026 ( 4.452 -0.423 -2.768) 5.259 14.348 ( 3.232 4.788 4.599) 7.384 14.443 ( 3.393 4.947 -4.536) 7.521 17.108 ( -1.169 0.067 5.106) 5.238 17.192 ( -1.037 0.825 -3.053) 3.328 17.444 ( -0.656 -0.103 2.796) 2.874 17.539 ( -2.044 -0.981 -5.942) 6.360 19.291 ( -0.492 -3.858 0.854) 3.982 19.326 ( -0.567 -4.967 -2.777) 5.718 28.914 ( -0.093 0.191 1.001) 1.023 28.939 ( -0.168 0.320 -1.355) 1.403 31.983 ( -0.686 -1.488 6.396) 6.602 32.091 ( 1.265 -1.469 -4.314) 4.730 32.528 ( 4.759 14.420 3.718) 15.634 32.603 ( 5.110 14.045 -3.279) 15.301 33.835 ( -2.325 -8.489 21.357) 23.099 34.270 ( -3.128 -12.201 -21.078) 24.555 ======================= Grid point 384 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 8.045 -4.645 12.145) 15.291 3.258 ( 0.440 -3.222 -4.369) 5.446 3.498 ( 12.084 -3.750 3.757) 13.198 3.581 ( 17.010 -8.522 -4.386) 19.524 4.251 ( 3.982 -2.817 5.371) 7.255 4.343 ( -0.373 -2.937 -3.269) 4.410 4.858 ( 0.385 4.555 2.544) 5.231 4.869 ( -3.357 -0.536 2.364) 4.141 5.111 ( 5.815 -10.429 7.611) 14.160 5.242 ( 6.150 -13.570 -5.492) 15.879 5.593 ( -0.089 3.275 23.273) 23.502 5.863 ( -4.579 -4.183 -6.392) 8.906 6.108 ( -6.777 -0.665 10.930) 12.878 6.490 ( -0.148 -3.198 -10.276) 10.763 6.708 ( -0.507 1.467 -3.320) 3.665 6.902 ( -0.255 -4.560 -11.228) 12.122 7.853 ( -8.345 -6.658 15.449) 18.779 8.229 ( -15.345 -4.605 -18.652) 24.588 11.993 ( 2.491 0.686 4.482) 5.173 12.077 ( 3.221 0.349 -3.565) 4.817 14.320 ( 3.130 4.636 4.268) 7.036 14.410 ( 3.333 5.316 -4.460) 7.698 17.097 ( 0.108 0.607 3.677) 3.728 17.169 ( -0.292 0.966 -3.201) 3.357 17.435 ( -1.402 -0.687 3.127) 3.495 17.518 ( -2.467 -0.288 -4.555) 5.188 19.350 ( 0.709 -3.761 1.049) 3.968 19.393 ( 0.268 -4.108 -3.207) 5.218 28.909 ( -0.096 0.283 0.659) 0.724 28.929 ( -0.259 0.601 -1.234) 1.397 32.002 ( 0.583 -0.904 6.380) 6.470 32.119 ( 0.735 -0.281 -5.160) 5.220 32.397 ( 4.882 11.408 3.063) 12.781 32.462 ( 3.644 11.942 -2.998) 12.841 33.931 ( -1.795 -7.584 22.973) 24.259 34.394 ( -3.231 -9.868 -21.928) 24.262 ======================= Grid point 385 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 1.195 2.806 6.192) 6.903 3.195 ( 0.131 5.925 -2.603) 6.473 3.843 ( 9.854 -15.875 7.299) 20.060 3.979 ( 15.531 -10.708 -3.670) 19.218 4.252 ( -5.217 5.937 2.346) 8.245 4.273 ( -9.824 1.433 -1.485) 10.038 4.710 ( -3.651 5.559 3.282) 7.417 4.747 ( -2.916 6.283 -0.925) 6.988 5.329 ( -1.853 -10.046 11.859) 15.653 5.473 ( 0.911 -7.621 -1.469) 7.815 5.636 ( 5.845 -3.758 22.080) 23.147 5.917 ( 1.710 -4.270 -4.980) 6.779 6.061 ( -3.207 -2.736 6.442) 7.699 6.486 ( -0.475 2.720 -26.897) 27.038 6.782 ( 1.145 -9.104 11.361) 14.604 6.982 ( -2.628 -5.572 -5.014) 7.944 7.847 ( -4.947 -7.063 5.138) 10.038 8.061 ( -13.564 0.637 -13.044) 18.829 12.005 ( 1.197 1.073 4.918) 5.174 12.099 ( 1.818 1.173 -4.106) 4.642 14.292 ( 2.288 3.911 3.714) 5.859 14.374 ( 2.525 4.795 -4.143) 6.821 17.093 ( 1.054 0.907 2.758) 3.089 17.159 ( 0.683 0.739 -3.370) 3.517 17.432 ( -1.581 -1.487 2.725) 3.484 17.489 ( -2.222 -0.204 -2.743) 3.536 19.412 ( 1.446 -2.469 0.963) 3.018 19.452 ( 1.370 -2.497 -2.991) 4.130 28.906 ( 0.071 0.082 0.141) 0.177 28.917 ( -0.137 0.594 -0.947) 1.126 32.017 ( 0.829 0.435 4.950) 5.038 32.114 ( 0.391 1.851 -4.716) 5.081 32.323 ( 4.412 7.061 2.269) 8.630 32.368 ( 4.348 7.434 -2.066) 8.857 33.999 ( -2.597 -5.271 23.739) 24.455 34.474 ( -3.628 -7.039 -22.284) 23.649 ======================= Grid point 386 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 3.277 0.723 2.046) 3.931 3.136 ( 2.021 4.763 -0.273) 5.181 3.913 ( -16.518 10.257 5.340) 20.164 3.966 ( -16.879 10.225 0.285) 19.737 4.137 ( 3.259 -6.928 6.256) 9.887 4.285 ( 0.128 -8.485 -6.933) 10.958 4.664 ( 3.810 0.701 4.147) 5.675 4.732 ( 5.450 -0.378 -2.313) 5.932 5.382 ( -3.208 -4.536 20.974) 21.698 5.522 ( -2.289 -0.170 2.260) 3.221 5.728 ( 1.137 0.348 13.458) 13.510 5.992 ( 3.472 -0.855 -3.683) 5.133 6.098 ( 1.172 -3.290 1.838) 3.946 6.449 ( 0.107 0.912 -28.873) 28.887 6.852 ( -5.628 0.958 12.509) 13.750 6.983 ( -4.873 -4.298 0.335) 6.506 7.905 ( -6.443 -1.275 -1.879) 6.831 7.997 ( -0.275 -15.376 -9.865) 18.271 11.993 ( -0.069 1.534 4.973) 5.205 12.090 ( 0.396 1.957 -4.340) 4.777 14.263 ( 1.087 2.992 3.155) 4.482 14.336 ( 1.249 3.678 -3.803) 5.436 17.100 ( 1.977 0.658 2.618) 3.346 17.166 ( 1.729 0.344 -3.528) 3.944 17.434 ( -1.762 -1.500 2.411) 3.342 17.476 ( -1.331 -1.497 -1.620) 2.576 19.455 ( 1.888 -0.397 1.303) 2.328 19.502 ( 2.588 -0.747 -3.265) 4.233 28.908 ( 0.153 0.034 -0.217) 0.268 28.912 ( 0.304 -0.035 -0.647) 0.716 32.010 ( 0.155 1.189 3.824) 4.008 32.087 ( 0.324 1.711 -3.809) 4.188 32.297 ( 3.737 4.194 2.414) 6.114 32.346 ( 5.253 4.769 -2.311) 7.461 34.019 ( -3.528 -2.984 24.532) 24.963 34.509 ( -3.746 -4.465 -23.010) 23.737 ======================= Grid point 387 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -11.032 11.708 4.865) 16.806 3.094 ( -6.713 6.191 -5.035) 10.427 3.561 ( -10.222 9.763 7.276) 15.899 3.643 ( -6.113 5.568 -1.198) 8.355 4.201 ( -2.680 -3.389 7.333) 8.511 4.353 ( -3.234 -5.056 -6.956) 9.188 4.713 ( 3.269 1.481 5.579) 6.633 4.814 ( 3.528 -0.497 -3.977) 5.340 5.360 ( -7.700 7.853 8.309) 13.784 5.416 ( -4.583 3.038 7.759) 9.510 5.648 ( 0.577 7.922 22.250) 23.625 6.053 ( 6.460 -0.225 -6.674) 9.291 6.191 ( 4.886 -4.133 3.098) 7.110 6.472 ( 0.653 -2.933 -25.169) 25.347 6.700 ( -6.537 4.783 12.162) 14.612 6.936 ( -6.454 0.962 -8.525) 10.736 7.918 ( -2.279 -7.200 12.585) 14.677 8.268 ( 1.973 -17.531 -18.525) 25.582 11.958 ( -1.143 1.985 4.718) 5.245 12.052 ( -0.889 2.662 -4.265) 5.105 14.235 ( 0.063 1.802 2.791) 3.323 14.302 ( 0.021 1.879 -3.634) 4.091 17.126 ( 2.931 0.201 2.917) 4.140 17.192 ( 2.514 -0.016 -3.353) 4.191 17.428 ( -1.893 -1.041 3.786) 4.359 17.497 ( -0.830 -2.849 -2.758) 4.051 19.473 ( 2.387 1.678 2.037) 3.558 19.537 ( 3.279 1.329 -4.171) 5.469 28.911 ( 0.373 -0.070 0.242) 0.450 28.923 ( 0.537 -0.552 -0.932) 1.209 31.995 ( -0.212 0.224 4.897) 4.906 32.088 ( 0.509 -1.190 -4.215) 4.409 32.277 ( 2.402 4.323 3.192) 5.887 32.348 ( 4.204 3.852 -3.504) 6.693 34.001 ( -3.463 -1.109 25.356) 25.615 34.512 ( -3.086 -1.996 -24.139) 24.417 ======================= Grid point 388 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -22.261 18.479 8.682) 30.206 2.706 ( -21.351 16.267 -9.337) 28.419 3.364 ( -2.190 11.536 15.021) 19.066 3.591 ( 2.372 5.789 -7.531) 9.790 4.252 ( 3.304 -4.151 5.863) 7.907 4.378 ( 1.365 -1.211 -6.340) 6.597 4.692 ( -0.841 2.711 7.038) 7.589 4.816 ( -1.939 1.590 -3.881) 4.621 5.009 ( -10.304 17.990 9.616) 22.853 5.154 ( -10.799 16.294 -5.168) 20.220 5.699 ( 5.354 -7.189 34.830) 35.965 6.184 ( 10.136 -2.205 -7.685) 12.909 6.320 ( 6.243 -2.319 2.382) 7.073 6.521 ( 0.211 -1.140 -14.217) 14.264 6.590 ( -4.663 -1.008 2.504) 5.387 6.826 ( -5.428 2.511 -13.049) 14.354 7.996 ( -1.753 -5.295 22.303) 22.990 8.522 ( 1.686 -12.729 -26.082) 29.071 11.907 ( -1.756 2.292 4.144) 5.051 11.991 ( -1.745 3.209 -3.886) 5.333 14.216 ( -0.482 0.132 2.886) 2.929 14.286 ( -0.684 -0.565 -3.764) 3.867 17.169 ( 3.576 -0.124 3.145) 4.764 17.228 ( 2.545 -0.133 -2.661) 3.685 17.416 ( -2.115 -0.852 5.753) 6.188 17.530 ( -0.718 -2.775 -4.873) 5.653 19.469 ( 2.555 3.323 2.455) 4.858 19.544 ( 3.246 3.646 -4.935) 6.941 28.919 ( 0.467 -0.155 0.721) 0.873 28.938 ( 0.495 -0.470 -1.134) 1.323 32.013 ( 0.627 -2.678 6.667) 7.212 32.133 ( 1.083 -3.172 -5.292) 6.264 32.229 ( 0.007 4.049 4.833) 6.305 32.330 ( 0.780 3.112 -4.889) 5.847 33.969 ( -2.011 0.407 25.533) 25.615 34.490 ( -1.588 0.778 -25.108) 25.170 ======================= Grid point 389 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -18.883 21.516 10.954) 30.651 2.169 ( -17.921 19.839 -10.733) 28.809 3.084 ( -3.058 21.768 19.776) 29.568 3.408 ( -0.728 20.313 -10.749) 22.993 4.367 ( 7.310 2.002 5.957) 9.640 4.440 ( 6.878 2.416 -1.263) 7.398 4.609 ( -9.076 7.363 9.004) 14.753 4.635 ( -0.856 6.198 4.599) 7.765 4.796 ( -4.215 -0.433 -3.097) 5.249 4.825 ( -8.435 6.059 -4.982) 11.519 5.917 ( 4.690 -12.105 30.625) 33.263 6.341 ( 8.468 0.699 4.810) 9.764 6.408 ( 7.003 -0.308 -3.561) 7.862 6.507 ( -0.981 -0.167 0.264) 1.029 6.601 ( -4.380 -5.660 -17.122) 18.558 6.733 ( -5.321 0.329 -12.772) 13.840 8.001 ( -1.272 2.255 27.770) 27.891 8.662 ( 1.177 -3.057 -33.623) 33.782 11.851 ( -1.512 2.283 3.303) 4.291 11.918 ( -1.626 3.371 -3.216) 4.935 14.223 ( -0.510 -2.036 3.549) 4.124 14.304 ( -0.643 -2.962 -4.110) 5.107 17.217 ( 3.092 -0.294 2.402) 3.926 17.256 ( 1.542 -0.018 -1.674) 2.276 17.398 ( -2.057 -0.457 7.959) 8.233 17.557 ( -0.364 -1.744 -6.944) 7.169 19.442 ( 1.824 4.258 2.153) 5.108 19.511 ( 2.223 5.739 -4.790) 7.799 28.924 ( 0.270 0.126 0.972) 1.016 28.947 ( 0.236 -0.046 -1.216) 1.240 32.094 ( 3.283 -3.289 5.655) 7.320 32.137 ( 0.706 3.684 3.523) 5.146 32.230 ( -1.038 -4.243 -1.797) 4.724 32.290 ( -3.867 -3.122 -4.811) 6.917 33.939 ( -0.223 1.722 24.349) 24.411 34.444 ( -0.061 4.197 -24.960) 25.310 ======================= Grid point 390 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -0.000 21.701 13.154) 25.377 1.733 ( -0.000 19.803 -12.066) 23.189 2.681 ( -0.000 28.189 22.529) 36.086 3.051 ( -0.000 24.647 -10.951) 26.970 4.246 ( -0.000 13.664 20.251) 24.430 4.416 ( -0.000 3.206 8.356) 8.950 4.565 ( -0.000 1.700 -9.090) 9.247 4.568 ( 0.000 -1.294 -5.729) 5.873 4.788 ( 0.000 -4.002 -0.087) 4.003 4.808 ( 0.000 -4.484 -1.537) 4.740 6.115 ( 0.000 -8.003 21.741) 23.168 6.363 ( -0.000 1.646 12.849) 12.954 6.496 ( 0.000 -0.896 1.026) 1.362 6.518 ( 0.000 -0.837 -1.100) 1.382 6.636 ( 0.000 -5.013 -17.902) 18.590 6.728 ( 0.000 -7.955 -13.059) 15.291 7.895 ( -0.000 10.782 29.515) 31.423 8.631 ( -0.000 8.127 -38.938) 39.777 11.809 ( -0.000 1.741 2.486) 3.035 11.860 ( -0.000 2.736 -2.447) 3.671 14.264 ( 0.000 -3.800 4.301) 5.739 14.353 ( 0.000 -4.095 -4.306) 5.942 17.246 ( 0.000 -0.402 0.918) 1.003 17.266 ( -0.000 0.062 -1.079) 1.081 17.386 ( 0.000 -0.178 9.487) 9.488 17.568 ( 0.000 -0.064 -8.131) 8.131 19.391 ( -0.000 4.233 1.226) 4.407 19.434 ( -0.000 6.512 -3.168) 7.241 28.921 ( -0.000 0.454 1.075) 1.167 28.946 ( -0.000 0.309 -1.315) 1.351 32.052 ( -0.000 4.360 4.671) 6.390 32.149 ( -0.000 4.746 -4.699) 6.678 32.311 ( 0.000 -13.751 5.515) 14.816 32.395 ( 0.000 -10.714 -2.834) 11.082 33.907 ( -0.000 2.666 21.595) 21.759 34.356 ( -0.000 7.993 -22.492) 23.870 ======================= Grid point 393 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 11.984 -0.000 16.921) 20.735 2.697 ( 9.490 -0.000 -9.842) 13.672 3.351 ( 45.568 -0.000 2.190) 45.621 3.402 ( 44.013 -0.000 -2.403) 44.079 3.958 ( -2.881 0.000 15.087) 15.359 4.097 ( -12.946 0.000 -0.526) 12.956 4.621 ( -7.437 0.000 5.835) 9.453 4.728 ( -3.745 0.000 -2.511) 4.509 4.981 ( 12.869 -0.000 7.194) 14.744 5.159 ( 13.251 -0.000 -9.622) 16.375 5.809 ( -13.432 0.000 9.268) 16.319 5.836 ( -9.500 0.000 9.940) 13.750 6.148 ( -6.789 0.000 -4.321) 8.048 6.361 ( -1.182 0.000 -15.014) 15.061 7.109 ( -4.213 0.000 1.059) 4.344 7.145 ( -2.278 0.000 -1.771) 2.886 7.415 ( -6.725 0.000 24.806) 25.702 8.008 ( -14.901 0.000 -27.878) 31.610 11.970 ( 4.083 -0.000 2.836) 4.972 12.018 ( 5.508 -0.000 -1.977) 5.852 14.438 ( 3.393 -0.000 4.554) 5.679 14.531 ( 3.725 -0.000 -4.362) 5.736 17.105 ( -1.230 0.000 6.620) 6.733 17.206 ( -0.752 0.000 -3.006) 3.098 17.447 ( -0.854 0.000 0.169) 0.871 17.509 ( -1.988 0.000 -5.694) 6.031 19.231 ( 0.209 -0.000 -0.264) 0.336 19.236 ( 0.666 -0.000 -0.932) 1.145 28.917 ( 0.112 -0.000 1.133) 1.138 28.943 ( 0.071 -0.000 -1.390) 1.392 31.956 ( -0.475 0.000 6.449) 6.467 32.066 ( 2.098 -0.000 -4.534) 4.996 32.841 ( 6.257 -0.000 3.868) 7.356 32.894 ( 7.160 -0.000 -1.476) 7.311 33.656 ( -5.881 0.000 15.446) 16.528 33.988 ( -4.341 0.000 -16.739) 17.293 ======================= Grid point 394 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 12.124 -13.232 13.137) 22.240 2.898 ( 7.950 -10.645 -7.266) 15.142 3.716 ( 12.431 12.589 3.307) 17.999 3.750 ( 15.820 11.041 0.085) 19.292 4.080 ( 13.947 -8.670 4.944) 17.150 4.155 ( 15.346 -13.347 -1.108) 20.369 4.539 ( -6.709 -4.877 11.106) 13.862 4.697 ( -7.301 -7.436 -3.640) 11.038 5.145 ( 13.347 3.130 6.144) 15.023 5.267 ( 6.866 6.258 -4.433) 10.293 5.647 ( -7.746 -1.201 6.713) 10.320 5.726 ( -11.820 -3.148 2.293) 12.445 6.065 ( -6.679 -1.190 6.098) 9.122 6.374 ( -1.685 -3.474 -10.654) 11.332 6.892 ( -6.941 11.314 0.978) 13.309 6.993 ( -6.302 7.897 -4.849) 11.207 7.502 ( -7.298 -15.371 15.430) 22.970 7.919 ( -14.832 -11.945 -21.194) 28.493 12.014 ( 3.249 0.506 4.123) 5.274 12.086 ( 4.804 0.181 -2.933) 5.632 14.460 ( 3.968 3.441 4.773) 7.097 14.558 ( 4.320 3.380 -4.684) 7.212 17.101 ( 0.204 -0.214 6.048) 6.055 17.196 ( -0.073 0.643 -2.940) 3.010 17.427 ( -1.821 0.103 0.341) 1.855 17.489 ( -2.674 -1.137 -5.585) 6.295 19.257 ( 1.663 -1.833 0.251) 2.488 19.278 ( 1.924 -2.741 -1.990) 3.895 28.917 ( 0.029 0.179 1.064) 1.079 28.942 ( -0.032 0.245 -1.356) 1.378 31.967 ( 0.947 -0.906 7.310) 7.427 32.099 ( 2.079 -0.567 -5.808) 6.195 32.806 ( 5.507 12.913 4.502) 14.742 32.885 ( 5.907 12.608 -2.999) 14.243 33.654 ( -4.512 -8.925 18.178) 20.748 34.031 ( -4.578 -11.853 -18.379) 22.343 ======================= Grid point 395 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 6.753 -15.315 8.156) 18.619 3.118 ( -0.781 -8.778 0.712) 8.841 3.650 ( 3.697 3.771 3.340) 6.248 3.763 ( 11.464 3.241 -7.307) 13.976 4.315 ( 8.533 1.030 6.114) 10.548 4.369 ( 4.749 2.168 0.784) 5.279 4.701 ( -0.522 -12.600 5.818) 13.888 4.771 ( -4.986 -9.647 -0.310) 10.864 5.119 ( -5.217 5.055 6.851) 9.985 5.236 ( 4.497 1.376 -4.490) 6.502 5.640 ( 2.337 -0.962 8.914) 9.266 5.730 ( 0.407 -8.348 -3.633) 9.113 5.991 ( -7.736 -1.071 18.314) 19.910 6.413 ( -1.243 -5.447 -2.839) 6.267 6.722 ( -3.730 3.725 -11.468) 12.622 6.831 ( -5.504 0.535 -8.639) 10.258 7.598 ( -8.667 -11.476 11.844) 18.631 7.906 ( -14.142 -10.498 -15.678) 23.579 12.039 ( 2.338 1.073 5.145) 5.752 12.133 ( 3.655 0.988 -3.977) 5.491 14.445 ( 4.052 5.477 4.807) 8.338 14.546 ( 4.368 5.774 -4.914) 8.750 17.112 ( 1.206 0.090 4.596) 4.752 17.186 ( 0.501 1.019 -2.441) 2.692 17.402 ( -2.310 -0.395 1.175) 2.621 17.469 ( -3.011 -1.111 -5.173) 6.087 19.320 ( 2.307 -3.000 0.748) 3.858 19.354 ( 2.327 -3.481 -2.628) 4.943 28.913 ( 0.008 0.327 0.838) 0.899 28.935 ( -0.097 0.544 -1.283) 1.397 32.002 ( 1.822 -1.090 7.086) 7.397 32.132 ( 1.894 -0.194 -5.825) 6.129 32.666 ( 5.533 14.605 3.239) 15.951 32.730 ( 4.673 15.703 -2.820) 16.624 33.758 ( -3.559 -10.641 19.903) 22.848 34.162 ( -5.146 -13.308 -19.283) 23.988 ======================= Grid point 396 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( -1.141 -0.617 6.857) 6.979 3.216 ( -0.189 -4.072 -1.407) 4.312 3.740 ( 2.100 -7.229 8.216) 11.143 3.945 ( 1.402 -8.654 -10.588) 13.746 4.294 ( 1.535 9.829 5.354) 11.298 4.363 ( 2.487 8.753 -1.123) 9.168 4.650 ( -9.425 -2.762 5.525) 11.269 4.711 ( -8.944 -1.911 -0.513) 9.160 5.162 ( 0.022 -9.204 9.551) 13.264 5.337 ( -0.862 -9.272 -7.782) 12.136 5.704 ( 4.797 1.219 26.267) 26.729 5.889 ( 6.233 -5.490 -2.993) 8.829 5.953 ( -2.730 -5.597 10.184) 11.937 6.493 ( 0.031 -2.960 -18.883) 19.114 6.652 ( -3.813 -4.059 1.327) 5.725 6.837 ( -4.581 -6.516 -8.134) 11.384 7.634 ( -7.904 -9.503 6.405) 13.921 7.847 ( -12.053 -5.086 -11.952) 17.719 12.043 ( 1.384 1.705 5.661) 6.073 12.151 ( 2.399 1.974 -4.738) 5.665 14.407 ( 3.348 6.210 4.512) 8.375 14.504 ( 3.664 6.923 -4.872) 9.225 17.126 ( 1.939 0.718 3.152) 3.769 17.184 ( 1.235 0.748 -2.154) 2.593 17.383 ( -2.350 -1.283 1.811) 3.232 17.446 ( -2.753 -0.958 -4.075) 5.010 19.397 ( 2.381 -3.014 1.067) 3.987 19.436 ( 2.595 -3.253 -2.791) 5.010 28.909 ( 0.105 0.238 0.445) 0.516 28.925 ( -0.014 0.648 -1.103) 1.280 32.035 ( 1.656 0.004 5.914) 6.141 32.146 ( 1.303 1.292 -5.032) 5.356 32.538 ( 5.329 12.154 2.449) 13.495 32.590 ( 6.319 12.059 -2.488) 13.840 33.849 ( -4.286 -8.372 20.979) 22.991 34.273 ( -5.756 -11.219 -20.016) 23.656 ======================= Grid point 397 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 2.377 -1.215 4.685) 5.392 3.231 ( 1.219 3.193 -2.380) 4.165 3.747 ( -14.487 -0.665 6.156) 15.755 3.836 ( -17.005 4.958 -1.469) 17.774 4.149 ( -6.228 5.745 2.729) 8.902 4.214 ( -3.444 -0.353 -3.313) 4.792 4.715 ( 7.459 -3.427 5.438) 9.846 4.794 ( 8.539 -3.690 -2.718) 9.691 5.251 ( -3.451 -6.228 13.911) 15.627 5.431 ( -3.312 -6.846 -5.370) 9.310 5.740 ( 1.442 -1.410 30.995) 31.060 6.022 ( 5.299 -2.917 -0.372) 6.060 6.061 ( 4.098 -4.998 -1.188) 6.572 6.469 ( -1.247 2.193 -29.955) 30.061 6.732 ( -4.697 -8.877 9.389) 13.748 6.824 ( -8.568 -3.152 -0.287) 9.134 7.708 ( -8.107 -12.788 -2.250) 15.308 7.784 ( -4.860 -5.694 -8.014) 10.966 12.025 ( 0.455 2.357 5.741) 6.222 12.138 ( 1.170 2.938 -5.106) 6.006 14.352 ( 2.107 5.946 3.950) 7.442 14.441 ( 2.404 6.923 -4.605) 8.655 17.144 ( 2.673 0.855 2.563) 3.800 17.198 ( 2.150 0.282 -2.426) 3.254 17.378 ( -2.364 -2.049 2.141) 3.791 17.430 ( -2.117 -1.430 -2.785) 3.780 19.465 ( 2.232 -2.024 1.598) 3.410 19.514 ( 2.826 -2.492 -3.190) 4.937 28.910 ( 0.226 -0.042 0.042) 0.234 28.918 ( 0.223 0.388 -0.820) 0.934 32.038 ( 0.690 1.687 4.461) 4.819 32.126 ( 0.499 2.731 -4.226) 5.056 32.456 ( 5.394 8.491 3.760) 10.739 32.534 ( 7.445 8.561 -3.693) 11.931 33.893 ( -4.959 -5.997 22.440) 23.751 34.345 ( -5.631 -8.882 -21.296) 23.751 ======================= Grid point 398 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -13.073 14.651 3.307) 19.912 3.110 ( -9.200 8.569 -3.917) 13.168 3.564 ( -2.656 3.048 6.080) 7.301 3.632 ( -0.810 0.779 -0.444) 1.209 4.079 ( -6.587 -5.204 6.417) 10.566 4.201 ( -6.358 -7.191 -5.044) 10.843 4.820 ( 6.718 3.572 4.989) 9.098 4.905 ( 6.453 2.989 -3.142) 7.775 5.276 ( -4.901 -4.100 15.377) 16.652 5.425 ( -4.306 2.913 -0.815) 5.262 5.747 ( 0.402 3.603 23.884) 24.158 6.130 ( 7.076 -1.396 -3.422) 7.983 6.196 ( 6.763 -4.836 0.630) 8.338 6.440 ( -1.406 -1.022 -25.387) 25.447 6.669 ( -6.886 3.001 8.462) 11.315 6.800 ( -8.375 -6.462 -2.440) 10.856 7.743 ( -5.433 -8.667 5.059) 11.412 7.970 ( -2.061 -20.156 -14.162) 24.720 11.987 ( -0.276 2.932 5.464) 6.207 12.096 ( 0.135 3.762 -5.076) 6.319 14.291 ( 0.894 4.818 3.224) 5.865 14.368 ( 1.083 5.796 -4.211) 7.245 17.173 ( 3.313 0.438 2.544) 4.200 17.228 ( 2.652 0.071 -2.601) 3.716 17.376 ( -2.557 -1.892 3.148) 4.476 17.437 ( -1.536 -2.768 -2.671) 4.142 19.512 ( 1.998 -0.493 2.355) 3.127 19.578 ( 2.629 -1.135 -4.042) 4.953 28.914 ( 0.288 -0.077 0.057) 0.303 28.923 ( 0.428 -0.356 -0.764) 0.945 32.011 ( -0.006 2.064 4.292) 4.762 32.096 ( 0.342 1.473 -4.125) 4.394 32.408 ( 4.021 7.173 4.715) 9.479 32.507 ( 5.958 7.656 -4.789) 10.819 33.907 ( -4.238 -4.370 24.191) 24.946 34.394 ( -4.243 -6.768 -23.057) 24.401 ======================= Grid point 399 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -12.632 20.429 7.105) 25.048 2.738 ( -12.279 17.370 -8.016) 22.732 3.511 ( 1.786 8.516 11.421) 14.358 3.676 ( 3.682 0.989 -4.958) 6.254 4.145 ( -1.340 -11.506 6.667) 13.366 4.276 ( -2.347 -10.747 -5.944) 12.503 4.791 ( 2.744 7.373 5.593) 9.653 4.894 ( 3.375 6.028 -3.815) 7.892 5.141 ( -7.467 14.357 8.041) 18.071 5.243 ( -6.127 11.039 -0.856) 12.654 5.692 ( 1.451 1.249 33.708) 33.762 6.267 ( 8.669 -3.114 -10.916) 14.283 6.362 ( 7.264 -3.826 0.284) 8.215 6.452 ( -3.356 -3.889 -15.598) 16.422 6.555 ( -4.367 2.262 7.398) 8.884 6.766 ( -5.261 -1.685 -9.750) 11.206 7.838 ( -2.638 -10.579 16.176) 19.507 8.262 ( -1.175 -21.187 -21.565) 30.254 11.935 ( -0.535 3.263 4.877) 5.892 12.034 ( -0.405 4.294 -4.675) 6.360 14.239 ( 0.150 3.002 2.579) 3.961 14.306 ( 0.166 3.484 -3.819) 5.172 17.213 ( 2.984 0.035 2.243) 3.733 17.258 ( 1.898 0.128 -2.171) 2.887 17.369 ( -2.234 -1.535 5.409) 6.050 17.469 ( -0.961 -3.602 -4.078) 5.525 19.529 ( 1.362 1.241 2.909) 3.444 19.610 ( 1.742 0.830 -4.971) 5.332 28.921 ( 0.273 -0.242 0.452) 0.581 28.936 ( 0.307 -0.621 -0.947) 1.174 31.992 ( -0.042 -0.030 5.673) 5.673 32.100 ( 0.313 -1.504 -5.036) 5.265 32.335 ( 1.468 7.635 5.331) 9.427 32.448 ( 2.537 8.066 -5.500) 10.087 33.920 ( -2.043 -3.038 25.452) 25.714 34.437 ( -1.911 -4.321 -24.718) 25.165 ======================= Grid point 400 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -0.000 23.406 9.438) 25.237 2.364 ( -0.000 20.940 -9.732) 23.091 3.340 ( -0.000 15.263 17.288) 23.062 3.628 ( -0.000 9.247 -10.837) 14.246 4.333 ( 0.000 -12.162 4.953) 13.132 4.423 ( 0.000 -8.560 -3.477) 9.239 4.715 ( -0.000 4.239 5.793) 7.178 4.784 ( -0.000 21.400 11.939) 24.505 4.841 ( -0.000 5.146 -6.107) 7.986 4.938 ( -0.000 21.058 -4.441) 21.521 5.776 ( 0.000 -9.494 36.329) 37.549 6.421 ( 0.000 -4.162 -12.770) 13.431 6.446 ( 0.000 -2.578 1.093) 2.800 6.470 ( 0.000 -2.488 -1.244) 2.782 6.485 ( -0.000 1.270 -4.928) 5.089 6.727 ( -0.000 1.933 -13.958) 14.091 7.955 ( 0.000 -6.562 24.180) 25.055 8.529 ( 0.000 -14.917 -28.519) 32.185 11.882 ( -0.000 3.123 4.077) 5.135 11.966 ( -0.000 4.261 -3.981) 5.832 14.211 ( -0.000 0.723 2.596) 2.695 14.278 ( -0.000 0.161 -3.739) 3.743 17.237 ( 0.000 -0.158 1.430) 1.438 17.269 ( -0.000 0.141 -1.654) 1.659 17.371 ( 0.000 -1.043 8.038) 8.105 17.515 ( 0.000 -3.281 -5.777) 6.644 19.508 ( -0.000 2.962 2.895) 4.142 19.593 ( -0.000 3.287 -5.458) 6.371 28.926 ( 0.000 -0.158 0.778) 0.794 28.946 ( 0.000 -0.412 -1.083) 1.159 32.024 ( 0.000 -4.488 7.133) 8.428 32.151 ( 0.000 -5.077 -5.547) 7.519 32.230 ( -0.000 7.416 5.328) 9.131 32.342 ( -0.000 7.966 -5.414) 9.632 33.939 ( 0.000 -1.110 25.561) 25.586 34.465 ( 0.000 -0.793 -25.588) 25.600 ======================= Grid point 405 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 10.157 -0.000 10.475) 14.590 2.914 ( 6.393 -0.000 -7.110) 9.562 3.788 ( -8.975 0.000 7.916) 11.967 3.897 ( -0.003 0.000 -1.184) 1.184 4.345 ( 6.814 -0.000 6.177) 9.197 4.371 ( 27.646 -0.000 1.482) 27.685 4.433 ( 14.119 -0.000 2.963) 14.427 4.511 ( -10.023 0.000 -1.480) 10.132 5.305 ( -5.091 0.000 5.997) 7.867 5.420 ( -1.534 0.000 -2.813) 3.204 5.455 ( -0.046 0.000 6.072) 6.072 5.579 ( -5.257 0.000 -5.604) 7.684 5.979 ( -4.375 0.000 13.114) 13.825 6.323 ( -2.196 0.000 -5.407) 5.836 6.857 ( -11.353 0.000 -3.390) 11.848 6.954 ( -11.190 0.000 -5.105) 12.299 7.292 ( -3.098 0.000 13.915) 14.256 7.667 ( -9.127 0.000 -19.230) 21.286 12.057 ( 2.633 -0.000 5.179) 5.810 12.149 ( 4.350 -0.000 -3.819) 5.788 14.540 ( 4.305 -0.000 4.982) 6.584 14.644 ( 4.799 -0.000 -4.982) 6.918 17.108 ( 1.139 -0.000 6.308) 6.410 17.205 ( 0.472 -0.000 -2.418) 2.464 17.400 ( -2.435 0.000 -0.803) 2.564 17.445 ( -2.678 0.000 -5.556) 6.168 19.272 ( 2.523 -0.000 0.214) 2.532 19.293 ( 3.096 -0.000 -1.950) 3.659 28.919 ( 0.047 -0.000 1.075) 1.077 28.944 ( -0.013 0.000 -1.328) 1.328 31.981 ( 2.226 -0.000 7.865) 8.174 32.126 ( 2.613 -0.000 -6.478) 6.985 32.989 ( 4.829 -0.000 4.270) 6.446 33.064 ( 4.796 -0.000 -2.944) 5.627 33.507 ( -4.829 0.000 17.279) 17.941 33.867 ( -4.800 0.000 -17.506) 18.152 ======================= Grid point 406 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 4.369 -10.036 6.674) 12.820 3.024 ( 2.194 -5.376 -3.390) 6.724 3.683 ( -2.477 1.029 9.881) 10.239 3.886 ( 1.761 2.463 -9.241) 9.724 4.288 ( -7.311 -6.427 12.462) 15.813 4.413 ( -6.842 -4.852 -0.994) 8.447 4.649 ( 8.967 3.161 4.162) 10.378 4.730 ( 10.487 2.134 -3.466) 11.249 5.029 ( -16.326 0.718 8.542) 18.439 5.214 ( -15.136 0.616 -8.745) 17.492 5.633 ( 9.644 -3.951 5.858) 11.955 5.689 ( 7.610 -6.565 -0.013) 10.050 5.942 ( 0.166 2.189 19.386) 19.510 6.315 ( -2.767 -3.819 3.723) 6.008 6.712 ( -4.934 2.438 -16.088) 17.003 6.773 ( -8.713 3.516 -7.910) 12.282 7.338 ( -5.146 -9.587 11.110) 15.551 7.630 ( -7.008 -6.778 -15.334) 18.171 12.082 ( 2.011 0.749 6.075) 6.443 12.194 ( 3.437 0.816 -4.841) 5.993 14.569 ( 4.229 3.590 5.179) 7.589 14.679 ( 4.706 3.725 -5.334) 8.029 17.129 ( 1.640 -0.288 5.674) 5.914 17.207 ( 0.697 0.620 -1.415) 1.695 17.367 ( -2.472 -0.018 -0.648) 2.556 17.418 ( -2.520 -0.724 -5.848) 6.409 19.319 ( 2.579 -1.664 0.692) 3.147 19.348 ( 2.906 -1.982 -2.312) 4.209 28.918 ( 0.076 0.230 0.965) 0.995 28.941 ( -0.004 0.334 -1.283) 1.326 32.021 ( 2.933 -0.531 7.820) 8.369 32.163 ( 2.929 0.099 -6.240) 6.894 32.932 ( 3.280 12.182 3.251) 13.028 32.995 ( 1.816 12.199 -2.759) 12.638 33.556 ( -2.262 -9.908 16.832) 19.662 33.905 ( -4.642 -11.263 -16.882) 20.818 ======================= Grid point 407 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( -2.772 -7.371 5.156) 9.413 3.129 ( 1.491 -6.912 -1.687) 7.269 3.683 ( -1.849 -1.396 8.508) 8.818 3.860 ( -3.822 0.323 -7.046) 8.022 4.359 ( -9.700 -5.505 9.234) 14.480 4.450 ( -21.991 8.666 0.349) 23.639 4.491 ( -6.956 -3.325 2.015) 7.969 4.521 ( 7.632 -5.234 -2.115) 9.493 5.083 ( 3.907 -4.805 3.171) 6.958 5.174 ( -3.831 -7.834 -5.664) 10.399 5.736 ( -0.665 -0.783 29.383) 29.401 5.886 ( 7.788 -5.053 2.573) 9.634 5.959 ( 8.812 0.601 4.952) 10.126 6.380 ( -1.812 -8.420 2.521) 8.974 6.602 ( -5.294 3.637 -16.386) 17.600 6.705 ( -3.473 -3.420 -14.807) 15.588 7.398 ( -6.380 -8.675 9.281) 14.216 7.642 ( -6.144 -5.978 -12.794) 15.400 12.086 ( 1.326 1.609 6.555) 6.879 12.212 ( 2.363 1.912 -5.604) 6.375 14.547 ( 3.478 6.208 5.147) 8.782 14.657 ( 3.873 6.659 -5.507) 9.470 17.157 ( 2.002 -0.234 4.386) 4.827 17.208 ( 1.016 0.546 -0.473) 1.247 17.340 ( -2.202 -0.458 -0.034) 2.250 17.399 ( -2.173 -0.825 -5.574) 6.039 19.384 ( 2.168 -2.809 1.175) 3.738 19.422 ( 2.446 -3.144 -2.575) 4.743 28.915 ( 0.137 0.316 0.711) 0.790 28.935 ( 0.058 0.569 -1.192) 1.322 32.063 ( 2.567 0.070 7.080) 7.531 32.190 ( 2.552 1.337 -5.436) 6.152 32.777 ( 2.092 12.267 3.194) 12.847 32.845 ( 4.072 11.803 -3.379) 12.935 33.667 ( -2.854 -8.795 17.151) 19.485 34.021 ( -5.055 -12.196 -17.013) 21.535 ======================= Grid point 408 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -1.671 -6.023 5.716) 8.470 3.226 ( -1.362 -3.396 -5.367) 6.495 3.620 ( -5.762 2.027 8.268) 10.279 3.736 ( -8.042 4.692 -2.539) 9.651 4.065 ( -17.595 4.538 3.816) 18.567 4.111 ( -14.463 1.679 -0.397) 14.566 4.723 ( 8.815 -13.664 6.696) 17.585 4.835 ( 12.289 -10.994 -5.025) 17.238 5.150 ( -0.912 -1.917 4.228) 4.731 5.248 ( -4.821 -9.617 -6.126) 12.380 5.716 ( -1.370 -1.104 42.015) 42.051 6.047 ( 7.677 -3.788 2.158) 8.829 6.098 ( 8.431 -1.939 -2.509) 9.007 6.460 ( -3.105 -2.229 -20.786) 21.135 6.511 ( -7.060 -5.666 5.304) 10.492 6.698 ( -5.130 -1.775 -13.680) 14.718 7.445 ( -5.910 -9.340 6.295) 12.720 7.650 ( -3.828 -4.674 -11.602) 13.081 12.069 ( 0.637 2.457 6.616) 7.086 12.199 ( 1.292 3.020 -5.961) 6.806 14.482 ( 2.185 7.419 4.799) 9.102 14.588 ( 2.475 8.204 -5.408) 10.133 17.186 ( 2.466 0.134 3.060) 3.933 17.223 ( 1.557 -0.351 -0.102) 1.600 17.324 ( -2.124 -1.087 0.699) 2.486 17.386 ( -1.750 -0.960 -4.649) 5.059 19.453 ( 1.624 -3.023 1.727) 3.842 19.501 ( 1.995 -3.540 -2.964) 5.030 28.913 ( 0.178 0.152 0.387) 0.452 28.928 ( 0.156 0.526 -1.026) 1.163 32.076 ( 1.245 1.691 5.670) 6.047 32.181 ( 1.236 3.265 -4.636) 5.803 32.651 ( 3.070 9.232 4.969) 10.924 32.758 ( 5.546 9.122 -5.259) 11.901 33.736 ( -3.713 -6.701 19.050) 20.533 34.125 ( -4.789 -10.807 -18.512) 21.964 ======================= Grid point 409 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -8.913 8.368 1.526) 12.321 3.106 ( -7.343 7.145 -2.295) 10.499 3.598 ( 5.388 -0.794 6.466) 8.454 3.673 ( 5.737 0.141 -0.485) 5.759 3.882 ( -11.632 -4.454 6.175) 13.903 3.982 ( -10.905 -6.425 -3.545) 13.144 4.963 ( 8.648 -0.074 5.483) 10.240 5.031 ( 6.181 1.874 -2.348) 6.872 5.145 ( -4.958 -4.581 11.108) 12.998 5.348 ( -2.285 -8.666 -8.700) 12.490 5.751 ( 0.112 -3.229 35.165) 35.313 6.198 ( 8.236 -2.147 0.132) 8.513 6.238 ( 8.593 -3.413 -1.404) 9.352 6.391 ( -5.369 0.206 -14.624) 15.580 6.545 ( -10.153 -9.643 2.101) 14.159 6.629 ( -3.576 0.976 -10.394) 11.035 7.532 ( -3.901 -10.982 3.252) 12.099 7.713 ( -1.490 -10.048 -11.647) 15.454 12.032 ( 0.114 3.147 6.307) 7.049 12.159 ( 0.411 3.943 -5.887) 7.097 14.392 ( 0.860 7.107 4.141) 8.270 14.488 ( 1.014 8.148 -5.044) 9.636 17.217 ( 2.448 0.147 2.290) 3.355 17.256 ( 2.023 -0.638 -0.732) 2.244 17.314 ( -2.490 -1.696 2.117) 3.682 17.385 ( -1.179 -1.684 -3.833) 4.350 19.510 ( 0.974 -2.294 2.356) 3.430 19.572 ( 1.263 -3.007 -3.624) 4.876 28.915 ( 0.139 -0.111 0.145) 0.230 28.925 ( 0.186 0.120 -0.835) 0.864 32.050 ( 0.249 2.761 4.447) 5.240 32.137 ( 0.264 3.451 -4.059) 5.335 32.568 ( 2.535 7.882 6.041) 10.250 32.696 ( 3.882 8.383 -6.290) 11.177 33.782 ( -2.700 -5.719 21.784) 22.683 34.223 ( -2.877 -9.484 -20.851) 23.086 ======================= Grid point 410 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -0.000 17.681 4.726) 18.302 2.891 ( -0.000 13.789 -5.711) 14.925 3.637 ( -0.000 5.136 7.194) 8.839 3.718 ( -0.000 0.844 -0.689) 1.089 3.931 ( 0.000 -13.185 7.054) 14.954 4.063 ( 0.000 -13.358 -5.776) 14.553 4.933 ( -0.000 8.179 3.674) 8.967 5.010 ( -0.000 5.289 -3.712) 6.461 5.175 ( 0.000 -1.922 15.610) 15.728 5.352 ( -0.000 6.397 -2.679) 6.935 5.752 ( -0.000 3.554 27.246) 27.476 6.312 ( 0.000 -1.452 -18.501) 18.558 6.350 ( 0.000 -3.600 1.145) 3.778 6.377 ( 0.000 -3.547 -1.447) 3.831 6.522 ( 0.000 -0.868 2.577) 2.719 6.657 ( 0.000 -6.559 -6.829) 9.469 7.661 ( 0.000 -10.335 7.230) 12.613 7.932 ( 0.000 -20.351 -15.713) 25.711 11.983 ( -0.000 3.491 5.684) 6.671 12.098 ( -0.000 4.466 -5.420) 7.023 14.303 ( -0.000 5.459 3.268) 6.362 14.384 ( -0.000 6.547 -4.449) 7.915 17.236 ( -0.000 0.022 1.756) 1.756 17.275 ( -0.000 0.296 -2.085) 2.105 17.323 ( 0.000 -2.250 4.752) 5.257 17.411 ( 0.000 -3.004 -3.689) 4.757 19.540 ( 0.000 -0.795 2.830) 2.939 19.615 ( 0.000 -1.517 -4.388) 4.643 28.919 ( 0.000 -0.207 0.186) 0.278 28.929 ( 0.000 -0.456 -0.803) 0.924 32.011 ( -0.000 2.348 4.575) 5.143 32.101 ( -0.000 1.363 -4.364) 4.572 32.467 ( -0.000 8.250 6.079) 10.248 32.596 ( -0.000 8.845 -6.305) 10.863 33.843 ( 0.000 -4.987 24.165) 24.674 34.332 ( 0.000 -7.647 -23.148) 24.378 ======================= Grid point 417 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 1.692 -0.000 6.457) 6.675 3.014 ( 1.799 -0.000 -6.298) 6.550 3.656 ( -1.472 0.000 13.386) 13.466 3.914 ( -0.837 0.000 -11.644) 11.674 4.122 ( -7.480 0.000 12.174) 14.288 4.230 ( -9.192 0.000 0.569) 9.210 4.642 ( -28.193 0.000 5.660) 28.755 4.766 ( -20.056 0.000 -6.106) 20.964 4.905 ( 9.567 -0.000 6.954) 11.827 5.062 ( 4.467 -0.000 -8.170) 9.312 5.691 ( 3.576 -0.000 18.166) 18.515 5.803 ( 13.735 -0.000 1.816) 13.854 6.019 ( 7.101 -0.000 8.560) 11.122 6.243 ( -3.072 0.000 10.190) 10.643 6.673 ( -2.959 0.000 -22.258) 22.454 6.693 ( -7.551 0.000 -9.324) 11.998 7.221 ( -2.373 0.000 12.276) 12.504 7.522 ( -3.056 0.000 -15.594) 15.890 12.111 ( 1.580 -0.000 6.856) 7.036 12.242 ( 2.748 -0.000 -5.748) 6.371 14.650 ( 3.812 -0.000 5.492) 6.686 14.767 ( 4.314 -0.000 -5.754) 7.191 17.148 ( 1.677 -0.000 6.178) 6.401 17.220 ( 0.516 -0.000 -0.036) 0.517 17.337 ( -2.211 0.000 -1.502) 2.673 17.385 ( -1.755 0.000 -6.809) 7.032 19.337 ( 2.077 -0.000 0.904) 2.265 19.368 ( 2.373 -0.000 -2.268) 3.283 28.921 ( 0.140 -0.000 0.974) 0.984 28.944 ( 0.054 -0.000 -1.247) 1.248 32.060 ( 3.519 -0.000 8.387) 9.096 32.208 ( 3.745 -0.000 -6.195) 7.239 33.054 ( -5.739 0.000 1.341) 5.893 33.060 ( 0.152 -0.000 0.038) 0.157 33.482 ( 2.993 -0.000 12.639) 12.989 33.769 ( -2.074 0.000 -14.550) 14.697 ======================= Grid point 418 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -1.366 -5.241 6.549) 8.499 3.061 ( 0.871 -4.064 -6.713) 7.896 3.651 ( -0.838 -0.156 11.404) 11.436 3.841 ( -4.374 3.196 -4.978) 7.357 4.109 ( -9.490 -6.426 7.378) 13.630 4.182 ( -17.739 -2.715 0.230) 17.947 4.296 ( -13.163 -5.698 7.589) 16.227 4.468 ( -11.063 -3.125 -8.792) 14.472 5.043 ( 3.352 -4.154 4.388) 6.910 5.148 ( 4.932 0.035 -5.561) 7.433 5.724 ( 0.508 0.096 30.602) 30.606 5.964 ( 8.909 -1.333 4.325) 9.993 6.100 ( 8.497 1.971 2.936) 9.204 6.255 ( -1.457 -4.778 6.985) 8.588 6.586 ( -4.916 3.116 -11.267) 12.682 6.650 ( -1.267 -0.433 -25.406) 25.441 7.235 ( -2.691 -5.097 11.924) 13.244 7.519 ( -2.235 -3.415 -14.519) 15.081 12.121 ( 1.033 0.965 7.282) 7.418 12.263 ( 1.814 1.157 -6.392) 6.745 14.665 ( 2.803 3.846 5.623) 7.367 14.786 ( 3.184 4.093 -6.023) 7.948 17.173 ( 1.549 -0.558 5.982) 6.204 17.224 ( 0.459 0.183 1.170) 1.270 17.311 ( -1.695 -0.053 -1.713) 2.410 17.369 ( -1.181 -0.282 -7.271) 7.371 19.373 ( 1.401 -1.754 1.244) 2.566 19.409 ( 1.604 -1.997 -2.378) 3.495 28.921 ( 0.160 0.241 0.854) 0.902 28.943 ( 0.086 0.340 -1.197) 1.248 32.103 ( 2.959 0.317 8.469) 8.977 32.250 ( 3.548 1.205 -5.883) 6.975 32.910 ( -4.387 6.750 4.610) 9.277 33.003 ( -0.549 5.815 -4.508) 7.378 33.558 ( 1.727 -4.036 11.844) 12.632 33.820 ( -1.627 -8.037 -13.176) 15.519 ======================= Grid point 419 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( -1.693 -6.803 6.723) 9.713 3.139 ( -0.891 -5.035 -8.186) 9.651 3.628 ( 1.283 1.939 9.993) 10.260 3.749 ( -0.769 3.782 -1.660) 4.202 3.881 ( -16.582 2.804 4.788) 17.486 3.931 ( -14.234 1.785 0.403) 14.351 4.502 ( 1.513 -22.434 8.513) 24.043 4.690 ( 3.762 -22.965 -10.817) 25.662 5.109 ( -0.626 -2.579 2.456) 3.616 5.174 ( 1.386 1.945 -3.590) 4.312 5.703 ( -0.644 1.510 40.977) 41.010 6.099 ( 7.173 -3.942 5.833) 10.050 6.192 ( 6.934 -0.179 -0.427) 6.950 6.297 ( -4.380 -5.144 2.393) 7.167 6.472 ( -4.203 4.418 -10.562) 12.196 6.641 ( -1.524 -0.345 -27.608) 27.652 7.283 ( -2.238 -5.833 11.307) 12.918 7.551 ( -1.448 -4.100 -13.506) 14.188 12.109 ( 0.451 1.947 7.314) 7.582 12.254 ( 0.829 2.368 -6.636) 7.095 14.613 ( 1.381 6.731 5.449) 8.769 14.732 ( 1.572 7.270 -6.004) 9.559 17.205 ( 1.447 -1.181 5.376) 5.691 17.230 ( 0.422 -0.249 2.021) 2.079 17.294 ( -1.176 -0.090 -1.947) 2.277 17.360 ( -0.769 -0.293 -6.815) 6.864 19.422 ( 0.745 -2.983 1.657) 3.492 19.467 ( 0.897 -3.451 -2.659) 4.448 28.919 ( 0.106 0.304 0.649) 0.725 28.937 ( 0.079 0.521 -1.132) 1.248 32.117 ( 1.274 1.598 7.494) 7.768 32.252 ( 1.644 3.434 -5.464) 6.659 32.780 ( -0.825 6.059 6.375) 8.833 32.918 ( 1.334 6.180 -6.907) 9.364 33.625 ( -0.551 -4.163 14.397) 14.997 33.928 ( -1.840 -9.500 -14.732) 17.626 ======================= Grid point 420 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 0.000 -2.697 3.959) 4.790 3.145 ( -0.000 2.996 -5.279) 6.070 3.673 ( 0.000 -0.293 9.265) 9.269 3.707 ( 0.000 -0.305 4.516) 4.526 3.765 ( -0.000 1.117 0.295) 1.156 3.782 ( 0.000 -2.362 -2.683) 3.574 4.856 ( 0.000 -20.705 10.176) 23.071 5.085 ( 0.000 -22.741 -13.102) 26.245 5.106 ( -0.000 0.986 0.877) 1.320 5.131 ( -0.000 4.624 -1.502) 4.862 5.698 ( 0.000 -2.160 44.152) 44.204 6.261 ( 0.000 -2.025 0.903) 2.217 6.285 ( 0.000 -2.325 -1.398) 2.713 6.288 ( 0.000 -9.431 8.685) 12.821 6.363 ( -0.000 4.107 -11.842) 12.534 6.623 ( -0.000 0.956 -26.380) 26.398 7.364 ( 0.000 -7.910 8.619) 11.699 7.604 ( 0.000 -4.762 -12.685) 13.549 12.077 ( -0.000 2.746 6.970) 7.491 12.217 ( -0.000 3.383 -6.452) 7.285 14.511 ( -0.000 7.879 4.942) 9.301 14.622 ( -0.000 8.693 -5.671) 10.379 17.234 ( 0.000 -0.132 2.147) 2.152 17.247 ( 0.000 -2.437 5.273) 5.809 17.283 ( -0.000 0.199 -2.575) 2.582 17.361 ( 0.000 -0.649 -5.649) 5.686 19.474 ( 0.000 -3.196 2.080) 3.814 19.528 ( 0.000 -3.840 -3.114) 4.944 28.916 ( -0.000 0.122 0.398) 0.416 28.930 ( -0.000 0.440 -1.013) 1.104 32.093 ( -0.000 2.571 5.718) 6.270 32.200 ( -0.000 4.447 -4.630) 6.420 32.691 ( -0.000 6.515 6.786) 9.407 32.836 ( -0.000 7.046 -7.239) 10.102 33.684 ( 0.000 -5.029 18.245) 18.926 34.058 ( 0.000 -10.048 -17.812) 20.451 ======================= Grid point 429 (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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -0.771 0.000 7.661) 7.700 3.039 ( 0.400 -0.000 -9.114) 9.123 3.659 ( 1.681 -0.000 11.140) 11.266 3.808 ( -3.790 0.000 1.543) 4.092 3.938 ( -16.591 0.000 4.022) 17.071 3.960 ( -8.227 0.000 0.186) 8.229 4.115 ( -3.615 0.000 7.116) 7.982 4.284 ( -6.398 0.000 -10.244) 12.077 5.062 ( 2.433 -0.000 6.445) 6.889 5.200 ( 2.342 -0.000 -6.758) 7.152 5.738 ( 0.688 -0.000 31.327) 31.334 6.033 ( 3.133 -0.000 10.920) 11.361 6.208 ( 4.905 -0.000 0.014) 4.905 6.220 ( 1.347 -0.000 3.357) 3.618 6.563 ( -2.567 0.000 -10.156) 10.475 6.639 ( -0.464 0.000 -27.677) 27.681 7.177 ( -0.902 0.000 12.940) 12.971 7.476 ( -0.744 0.000 -15.226) 15.245 12.139 ( 0.550 -0.000 7.676) 7.695 12.290 ( 0.955 -0.000 -6.880) 6.946 14.723 ( 1.539 -0.000 5.883) 6.080 14.850 ( 1.766 -0.000 -6.338) 6.579 17.184 ( 0.901 -0.000 6.940) 6.998 17.228 ( 0.119 -0.000 2.243) 2.246 17.293 ( -0.972 0.000 -2.659) 2.831 17.357 ( -0.453 0.000 -8.296) 8.308 19.372 ( 0.649 -0.000 1.328) 1.478 19.409 ( 0.747 -0.000 -2.289) 2.407 28.925 ( 0.113 -0.000 0.868) 0.875 28.946 ( 0.063 -0.000 -1.166) 1.167 32.141 ( 2.045 -0.000 9.568) 9.784 32.306 ( 2.940 -0.000 -6.367) 7.013 32.882 ( -5.078 0.000 6.525) 8.269 33.019 ( -1.910 0.000 -6.818) 7.081 33.568 ( 2.248 -0.000 8.137) 8.441 33.756 ( 0.366 -0.000 -9.866) 9.873 ======================= Grid point 430 (144/144) ======================= q-point: (-0.45 -0.55 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 1.65e-04 1.65e-04 2.98e-04 2.98e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 0.000 -4.229 7.794) 8.867 3.069 ( 0.000 -3.584 -9.608) 10.255 3.673 ( -0.000 0.754 11.720) 11.744 3.787 ( -0.000 0.125 1.967) 1.971 3.788 ( -0.000 2.730 4.694) 5.430 3.866 ( -0.000 3.614 -2.835) 4.593 4.210 ( 0.000 -15.364 8.305) 17.465 4.387 ( 0.000 -17.271 -10.578) 20.253 5.087 ( 0.000 -1.189 5.543) 5.669 5.208 ( -0.000 0.946 -6.004) 6.078 5.729 ( -0.000 1.765 35.473) 35.517 6.079 ( 0.000 -3.777 12.470) 13.030 6.233 ( 0.000 -0.185 0.329) 0.378 6.245 ( 0.000 -0.548 -0.874) 1.031 6.513 ( -0.000 4.123 -9.824) 10.654 6.634 ( -0.000 0.252 -29.130) 29.131 7.200 ( 0.000 -3.695 12.746) 13.270 7.492 ( 0.000 -2.626 -14.696) 14.929 12.135 ( -0.000 1.049 7.685) 7.756 12.287 ( -0.000 1.268 -6.966) 7.080 14.703 ( -0.000 3.975 5.828) 7.055 14.829 ( -0.000 4.258 -6.336) 7.634 17.197 ( 0.000 -0.873 7.010) 7.065 17.229 ( 0.000 -0.131 2.511) 2.515 17.287 ( -0.000 0.035 -2.984) 2.984 17.354 ( 0.000 -0.006 -8.149) 8.149 19.390 ( 0.000 -1.836 1.480) 2.358 19.430 ( 0.000 -2.117 -2.391) 3.193 28.924 ( -0.000 0.249 0.799) 0.837 28.944 ( -0.000 0.331 -1.152) 1.199 32.147 ( -0.000 0.985 9.244) 9.296 32.310 ( -0.000 2.285 -6.361) 6.759 32.828 ( -0.000 2.496 7.259) 7.676 32.985 ( -0.000 2.725 -7.911) 8.367 33.590 ( 0.000 -1.107 9.756) 9.818 33.805 ( 0.000 -5.768 -10.870) 12.306 =================== 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 1005.782 1437.949 1060.812 0.000 0.000 0.000 3/30492 20.0 390.018 535.723 422.572 0.000 0.000 -0.000 3/30492 30.0 158.358 197.621 168.592 0.000 0.000 -0.000 3/30492 40.0 83.125 99.466 84.922 0.000 0.000 -0.000 3/30492 50.0 53.194 62.380 52.788 0.000 0.000 -0.000 3/30492 60.0 38.538 44.761 37.706 0.000 0.000 -0.000 3/30492 70.0 30.162 34.896 29.428 0.000 0.000 -0.000 3/30492 80.0 24.820 28.686 24.309 0.000 0.000 -0.000 3/30492 90.0 21.134 24.432 20.845 0.000 0.000 -0.000 3/30492 100.0 18.440 21.332 18.336 0.000 0.000 -0.000 3/30492 110.0 16.383 18.968 16.424 0.000 0.000 -0.000 3/30492 120.0 14.759 17.101 14.910 0.000 0.000 -0.000 3/30492 130.0 13.442 15.587 13.677 0.000 0.000 -0.000 3/30492 140.0 12.352 14.331 12.648 0.000 0.000 -0.000 3/30492 150.0 11.433 13.273 11.776 0.000 0.000 -0.000 3/30492 160.0 10.648 12.367 11.026 0.000 0.000 -0.000 3/30492 170.0 9.968 11.584 10.373 0.000 0.000 -0.000 3/30492 180.0 9.374 10.899 9.800 0.000 0.000 -0.000 3/30492 190.0 8.850 10.294 9.292 0.000 0.000 -0.000 3/30492 200.0 8.384 9.757 8.840 0.000 0.000 -0.000 3/30492 210.0 7.967 9.277 8.434 0.000 0.000 -0.000 3/30492 220.0 7.591 8.844 8.068 0.000 0.000 -0.000 3/30492 230.0 7.250 8.453 7.737 0.000 0.000 -0.000 3/30492 240.0 6.941 8.098 7.436 0.000 0.000 -0.000 3/30492 250.0 6.657 7.773 7.161 0.000 0.000 -0.000 3/30492 260.0 6.397 7.475 6.908 0.000 0.000 -0.000 3/30492 270.0 6.158 7.202 6.676 0.000 0.000 -0.000 3/30492 280.0 5.936 6.949 6.462 0.000 0.000 -0.000 3/30492 290.0 5.731 6.714 6.264 0.000 0.000 -0.000 3/30492 300.0 5.540 6.497 6.079 0.000 0.000 -0.000 3/30492 310.0 5.362 6.294 5.908 0.000 0.000 -0.000 3/30492 320.0 5.195 6.105 5.748 0.000 0.000 -0.000 3/30492 330.0 5.039 5.928 5.598 0.000 0.000 -0.000 3/30492 340.0 4.892 5.761 5.457 0.000 0.000 -0.000 3/30492 350.0 4.755 5.605 5.324 0.000 0.000 -0.000 3/30492 360.0 4.624 5.457 5.199 0.000 0.000 -0.000 3/30492 370.0 4.502 5.318 5.081 0.000 0.000 -0.000 3/30492 380.0 4.385 5.186 4.969 0.000 0.000 -0.000 3/30492 390.0 4.275 5.061 4.863 0.000 0.000 -0.000 3/30492 400.0 4.171 4.943 4.762 0.000 0.000 -0.000 3/30492 410.0 4.071 4.830 4.666 0.000 0.000 -0.000 3/30492 420.0 3.976 4.723 4.574 0.000 0.000 -0.000 3/30492 430.0 3.886 4.621 4.486 0.000 0.000 -0.000 3/30492 440.0 3.800 4.523 4.402 0.000 0.000 -0.000 3/30492 450.0 3.718 4.430 4.322 0.000 0.000 -0.000 3/30492 460.0 3.639 4.341 4.245 0.000 0.000 -0.000 3/30492 470.0 3.564 4.255 4.171 0.000 0.000 -0.000 3/30492 480.0 3.492 4.173 4.099 0.000 0.000 -0.000 3/30492 490.0 3.423 4.094 4.031 0.000 0.000 -0.000 3/30492 500.0 3.356 4.019 3.965 0.000 0.000 -0.000 3/30492 510.0 3.292 3.946 3.901 0.000 0.000 -0.000 3/30492 520.0 3.231 3.876 3.839 0.000 0.000 -0.000 3/30492 530.0 3.172 3.808 3.779 0.000 0.000 -0.000 3/30492 540.0 3.115 3.743 3.722 0.000 0.000 -0.000 3/30492 550.0 3.060 3.680 3.666 0.000 0.000 -0.000 3/30492 560.0 3.007 3.619 3.612 0.000 0.000 -0.000 3/30492 570.0 2.956 3.561 3.559 0.000 0.000 -0.000 3/30492 580.0 2.906 3.504 3.509 0.000 0.000 -0.000 3/30492 590.0 2.859 3.449 3.459 0.000 0.000 -0.000 3/30492 600.0 2.812 3.396 3.411 0.000 0.000 -0.000 3/30492 610.0 2.768 3.344 3.365 0.000 0.000 -0.000 3/30492 620.0 2.724 3.295 3.319 0.000 0.000 -0.000 3/30492 630.0 2.683 3.246 3.275 0.000 0.000 -0.000 3/30492 640.0 2.642 3.199 3.232 0.000 0.000 -0.000 3/30492 650.0 2.602 3.154 3.190 0.000 0.000 -0.000 3/30492 660.0 2.564 3.109 3.150 0.000 0.000 -0.000 3/30492 670.0 2.527 3.066 3.110 0.000 0.000 -0.000 3/30492 680.0 2.491 3.024 3.071 0.000 0.000 -0.000 3/30492 690.0 2.456 2.984 3.034 0.000 0.000 -0.000 3/30492 700.0 2.422 2.944 2.997 0.000 0.000 -0.000 3/30492 710.0 2.389 2.905 2.961 0.000 0.000 -0.000 3/30492 720.0 2.357 2.868 2.926 0.000 0.000 -0.000 3/30492 730.0 2.325 2.831 2.892 0.000 0.000 -0.000 3/30492 740.0 2.295 2.796 2.858 0.000 0.000 -0.000 3/30492 750.0 2.265 2.761 2.825 0.000 0.000 -0.000 3/30492 760.0 2.236 2.727 2.793 0.000 0.000 -0.000 3/30492 770.0 2.208 2.694 2.762 0.000 0.000 -0.000 3/30492 780.0 2.180 2.662 2.731 0.000 0.000 -0.000 3/30492 790.0 2.153 2.630 2.702 0.000 0.000 -0.000 3/30492 800.0 2.127 2.599 2.672 0.000 0.000 -0.000 3/30492 810.0 2.102 2.569 2.644 0.000 0.000 -0.000 3/30492 820.0 2.077 2.540 2.615 0.000 0.000 -0.000 3/30492 830.0 2.052 2.511 2.588 0.000 0.000 -0.000 3/30492 840.0 2.029 2.483 2.561 0.000 0.000 -0.000 3/30492 850.0 2.005 2.456 2.535 0.000 0.000 -0.000 3/30492 860.0 1.983 2.429 2.509 0.000 0.000 -0.000 3/30492 870.0 1.960 2.403 2.483 0.000 0.000 -0.000 3/30492 880.0 1.939 2.377 2.459 0.000 0.000 -0.000 3/30492 890.0 1.918 2.352 2.434 0.000 0.000 -0.000 3/30492 900.0 1.897 2.327 2.410 0.000 0.000 -0.000 3/30492 910.0 1.876 2.303 2.387 0.000 0.000 -0.000 3/30492 920.0 1.857 2.280 2.364 0.000 0.000 -0.000 3/30492 930.0 1.837 2.256 2.341 0.000 0.000 -0.000 3/30492 940.0 1.818 2.234 2.319 0.000 0.000 -0.000 3/30492 950.0 1.799 2.212 2.297 0.000 0.000 -0.000 3/30492 960.0 1.781 2.190 2.276 0.000 0.000 -0.000 3/30492 970.0 1.763 2.168 2.255 0.000 0.000 -0.000 3/30492 980.0 1.746 2.148 2.234 0.000 0.000 -0.000 3/30492 990.0 1.728 2.127 2.214 0.000 0.000 -0.000 3/30492 1000.0 1.711 2.107 2.194 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 2026-01-07 20:11:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|