----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:30:34]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.779330515003326 -4.806087989999999 0.000000000000000 b 2.779330515003326 4.806087989999999 0.000000000000000 c -1.890819574534787 0.000000000000000 5.465241575360013 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *2 Na 0.84160128257239 0.15839871742761 0.00000000000000 22.990 3 Na 0.15839871742761 0.84160128257239 0.00000000000000 22.990 *4 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 *5 Sn 0.66734900010894 0.33265099989106 0.50000000000000 118.710 6 Sn 0.33265099989106 0.66734900010894 0.50000000000000 118.710 *7 O 0.07297362373220 0.44138101318555 0.71277101692287 15.999 8 O 0.92702637626780 0.55861898681445 0.28722898307713 15.999 *9 O 0.29613351694328 0.29613351694328 0.28640147377686 15.999 10 O 0.44138101318555 0.07297362373220 0.71277101692287 15.999 11 O 0.55861898681445 0.92702637626780 0.28722898307713 15.999 12 O 0.70386648305672 0.70386648305672 0.71359852622314 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.558661030006652 0.000000000000000 0.000000000000000 b 0.000000000000000 9.612175979999998 0.000000000000000 c -1.890819574534787 0.000000000000000 5.465241575360013 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 *2 Na 0.50000000000000 0.65839871742761 0.00000000000000 22.990 > 2 3 Na 0.50000000000000 0.34160128257239 0.00000000000000 22.990 > 3 *4 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 4 5 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 6 Na 0.00000000000000 0.15839871742761 0.00000000000000 22.990 > 2 7 Na 0.00000000000000 0.84160128257239 0.00000000000000 22.990 > 3 8 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 4 *9 Sn 0.50000000000000 0.83265099989106 0.50000000000000 118.710 > 5 10 Sn 0.50000000000000 0.16734900010894 0.50000000000000 118.710 > 6 11 Sn 0.00000000000000 0.33265099989106 0.50000000000000 118.710 > 5 12 Sn 0.00000000000000 0.66734900010894 0.50000000000000 118.710 > 6 *13 O 0.25717731845887 0.18420369472667 0.71277101692287 15.999 > 7 14 O 0.74282268154113 0.81579630527333 0.28722898307713 15.999 > 8 *15 O 0.29613351694328 0.00000000000000 0.28640147377686 15.999 > 9 16 O 0.25717731845887 0.81579630527333 0.71277101692287 15.999 > 10 17 O 0.74282268154113 0.18420369472667 0.28722898307713 15.999 > 11 18 O 0.70386648305672 0.00000000000000 0.71359852622314 15.999 > 12 19 O 0.75717731845887 0.68420369472667 0.71277101692287 15.999 > 7 20 O 0.24282268154113 0.31579630527333 0.28722898307713 15.999 > 8 21 O 0.79613351694328 0.50000000000000 0.28640147377686 15.999 > 9 22 O 0.75717731845887 0.31579630527333 0.71277101692287 15.999 > 10 23 O 0.24282268154113 0.68420369472667 0.28722898307713 15.999 > 11 24 O 0.20386648305672 0.50000000000000 0.71359852622314 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.117322060013304 0.000000000000000 0.000000000000000 b 0.000000000000000 9.612175979999998 0.000000000000000 c -3.781639149069574 0.000000000000000 10.930483150720026 Atomic positions (fractional): *1 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 1 4 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 1 *5 Na 0.25000000000000 0.65839871742761 0.00000000000000 22.990 > 2 6 Na 0.75000000000000 0.65839871742761 0.00000000000000 22.990 > 2 7 Na 0.25000000000000 0.65839871742761 0.50000000000000 22.990 > 2 8 Na 0.75000000000000 0.65839871742761 0.50000000000000 22.990 > 2 9 Na 0.25000000000000 0.34160128257239 0.00000000000000 22.990 > 3 10 Na 0.75000000000000 0.34160128257239 0.00000000000000 22.990 > 3 11 Na 0.25000000000000 0.34160128257239 0.50000000000000 22.990 > 3 12 Na 0.75000000000000 0.34160128257239 0.50000000000000 22.990 > 3 *13 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 4 14 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 4 15 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 4 16 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 4 17 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 18 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 1 20 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 1 21 Na 0.00000000000000 0.15839871742761 0.00000000000000 22.990 > 2 22 Na 0.50000000000000 0.15839871742761 0.00000000000000 22.990 > 2 23 Na 0.00000000000000 0.15839871742761 0.50000000000000 22.990 > 2 24 Na 0.50000000000000 0.15839871742761 0.50000000000000 22.990 > 2 25 Na 0.00000000000000 0.84160128257239 0.00000000000000 22.990 > 3 26 Na 0.50000000000000 0.84160128257239 0.00000000000000 22.990 > 3 27 Na 0.00000000000000 0.84160128257239 0.50000000000000 22.990 > 3 28 Na 0.50000000000000 0.84160128257239 0.50000000000000 22.990 > 3 29 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 4 30 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 4 31 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 4 32 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 4 *33 Sn 0.25000000000000 0.83265099989106 0.25000000000000 118.710 > 5 34 Sn 0.75000000000000 0.83265099989106 0.25000000000000 118.710 > 5 35 Sn 0.25000000000000 0.83265099989106 0.75000000000000 118.710 > 5 36 Sn 0.75000000000000 0.83265099989106 0.75000000000000 118.710 > 5 37 Sn 0.25000000000000 0.16734900010894 0.25000000000000 118.710 > 6 38 Sn 0.75000000000000 0.16734900010894 0.25000000000000 118.710 > 6 39 Sn 0.25000000000000 0.16734900010894 0.75000000000000 118.710 > 6 40 Sn 0.75000000000000 0.16734900010894 0.75000000000000 118.710 > 6 41 Sn 0.00000000000000 0.33265099989106 0.25000000000000 118.710 > 5 42 Sn 0.50000000000000 0.33265099989106 0.25000000000000 118.710 > 5 43 Sn 0.00000000000000 0.33265099989106 0.75000000000000 118.710 > 5 44 Sn 0.50000000000000 0.33265099989106 0.75000000000000 118.710 > 5 45 Sn 0.00000000000000 0.66734900010894 0.25000000000000 118.710 > 6 46 Sn 0.50000000000000 0.66734900010894 0.25000000000000 118.710 > 6 47 Sn 0.00000000000000 0.66734900010894 0.75000000000000 118.710 > 6 48 Sn 0.50000000000000 0.66734900010894 0.75000000000000 118.710 > 6 *49 O 0.12858865922944 0.18420369472667 0.35638550846144 15.999 > 7 50 O 0.62858865922944 0.18420369472667 0.35638550846144 15.999 > 7 51 O 0.12858865922944 0.18420369472667 0.85638550846144 15.999 > 7 52 O 0.62858865922944 0.18420369472667 0.85638550846144 15.999 > 7 53 O 0.37141134077056 0.81579630527333 0.14361449153857 15.999 > 8 54 O 0.87141134077056 0.81579630527333 0.14361449153857 15.999 > 8 55 O 0.37141134077056 0.81579630527333 0.64361449153856 15.999 > 8 56 O 0.87141134077056 0.81579630527333 0.64361449153856 15.999 > 8 *57 O 0.14806675847164 0.00000000000000 0.14320073688843 15.999 > 9 58 O 0.64806675847164 0.00000000000000 0.14320073688843 15.999 > 9 59 O 0.14806675847164 0.00000000000000 0.64320073688843 15.999 > 9 60 O 0.64806675847164 0.00000000000000 0.64320073688843 15.999 > 9 61 O 0.12858865922944 0.81579630527333 0.35638550846144 15.999 > 10 62 O 0.62858865922944 0.81579630527333 0.35638550846144 15.999 > 10 63 O 0.12858865922944 0.81579630527333 0.85638550846144 15.999 > 10 64 O 0.62858865922944 0.81579630527333 0.85638550846144 15.999 > 10 65 O 0.37141134077056 0.18420369472667 0.14361449153857 15.999 > 11 66 O 0.87141134077056 0.18420369472667 0.14361449153857 15.999 > 11 67 O 0.37141134077056 0.18420369472667 0.64361449153856 15.999 > 11 68 O 0.87141134077056 0.18420369472667 0.64361449153856 15.999 > 11 69 O 0.35193324152836 0.00000000000000 0.35679926311157 15.999 > 12 70 O 0.85193324152836 0.00000000000000 0.35679926311157 15.999 > 12 71 O 0.35193324152836 0.00000000000000 0.85679926311157 15.999 > 12 72 O 0.85193324152836 0.00000000000000 0.85679926311157 15.999 > 12 73 O 0.37858865922944 0.68420369472667 0.35638550846144 15.999 > 7 74 O 0.87858865922944 0.68420369472667 0.35638550846144 15.999 > 7 75 O 0.37858865922944 0.68420369472667 0.85638550846144 15.999 > 7 76 O 0.87858865922944 0.68420369472667 0.85638550846144 15.999 > 7 77 O 0.12141134077056 0.31579630527333 0.14361449153857 15.999 > 8 78 O 0.62141134077056 0.31579630527333 0.14361449153857 15.999 > 8 79 O 0.12141134077056 0.31579630527333 0.64361449153856 15.999 > 8 80 O 0.62141134077056 0.31579630527333 0.64361449153856 15.999 > 8 81 O 0.39806675847164 0.50000000000000 0.14320073688843 15.999 > 9 82 O 0.89806675847164 0.50000000000000 0.14320073688843 15.999 > 9 83 O 0.39806675847164 0.50000000000000 0.64320073688843 15.999 > 9 84 O 0.89806675847164 0.50000000000000 0.64320073688843 15.999 > 9 85 O 0.37858865922944 0.31579630527333 0.35638550846144 15.999 > 10 86 O 0.87858865922944 0.31579630527333 0.35638550846144 15.999 > 10 87 O 0.37858865922944 0.31579630527333 0.85638550846144 15.999 > 10 88 O 0.87858865922944 0.31579630527333 0.85638550846144 15.999 > 10 89 O 0.12141134077056 0.68420369472667 0.14361449153857 15.999 > 11 90 O 0.62141134077056 0.68420369472667 0.14361449153857 15.999 > 11 91 O 0.12141134077056 0.68420369472667 0.64361449153856 15.999 > 11 92 O 0.62141134077056 0.68420369472667 0.64361449153856 15.999 > 11 93 O 0.10193324152836 0.50000000000000 0.35679926311157 15.999 > 12 94 O 0.60193324152836 0.50000000000000 0.35679926311157 15.999 > 12 95 O 0.10193324152836 0.50000000000000 0.85679926311157 15.999 > 12 96 O 0.60193324152836 0.50000000000000 0.85679926311157 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6857408 0.0000000 -0.0043201 0.0000000 3.6582431 0.0000000 -0.0043187 0.0000000 3.1229284 -------------------------- Born effective charges -------------------------- 1 Na 0.8479901 0.0000000 0.0373742 0.0000000 1.1273990 0.0000000 0.0004136 0.0000000 1.3544293 2 Na 1.0631911 0.0000000 -0.0167810 0.0000000 0.9209085 0.0000000 0.0000645 0.0000000 1.3571698 3 Na 1.0631911 0.0000000 -0.0167810 0.0000000 0.9209085 0.0000000 0.0000645 0.0000000 1.3571698 4 Na 1.0850198 0.0000000 0.0093102 0.0000000 1.0873791 0.0000000 -0.0012087 0.0000000 0.6355533 5 Sn 4.0763796 0.0000000 -0.0041876 0.0000000 4.0580851 0.0000000 0.0035819 0.0000000 2.4643891 6 Sn 4.0763796 0.0000000 -0.0041876 0.0000000 4.0580851 0.0000000 0.0035819 0.0000000 2.4643891 7 O -2.2539436 0.3885994 0.0865693 0.3705832 -1.7968755 0.1489145 0.1213394 0.2157616 -1.6011299 8 O -2.2539436 0.3885994 0.0865693 0.3705832 -1.7968755 0.1489145 0.1213394 0.2157616 -1.6011299 9 O -1.5981886 0.0000000 -0.1755121 0.0000000 -2.4926317 0.0000000 -0.2459276 0.0000000 -1.6142904 10 O -2.2539436 -0.3885994 0.0865693 -0.3705832 -1.7968755 -0.1489145 0.1213394 -0.2157616 -1.6011299 11 O -2.2539436 -0.3885994 0.0865693 -0.3705832 -1.7968755 -0.1489145 0.1213394 -0.2157616 -1.6011299 12 O -1.5981886 0.0000000 -0.1755121 0.0000000 -2.4926317 0.0000000 -0.2459276 0.0000000 -1.6142904 ---------------------------------------------------------------------------- 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: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1438 Number of blocks in projector: 1438 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: 340 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1438, 1405), data: False |-- (206, 200), data: True |-- (206, 200), data: True |-- (206, 200), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (340, 329), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 1.636 Solver_block: 200 / 400 - Time: 1.629 Solver_block: 300 / 400 - Time: 1.625 Solver_block: 400 / 400 - Time: 1.629 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.559 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1438 Number of blocks in projector: 1438 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: 340 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1438, 1405), data: False |-- (206, 200), data: True |-- (206, 200), data: True |-- (206, 200), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (340, 329), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:30:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:30:56]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.779330515003326 -4.806087989999999 0.000000000000000 b 2.779330515003326 4.806087989999999 0.000000000000000 c -1.890819574534787 0.000000000000000 5.465241575360013 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 2 Na 0.84160128257239 0.15839871742761 0.00000000000000 22.990 3 Na 0.15839871742761 0.84160128257239 0.00000000000000 22.990 4 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 5 Sn 0.66734900010894 0.33265099989106 0.50000000000000 118.710 6 Sn 0.33265099989106 0.66734900010894 0.50000000000000 118.710 7 O 0.07297362373220 0.44138101318555 0.71277101692287 15.999 8 O 0.92702637626780 0.55861898681445 0.28722898307713 15.999 9 O 0.29613351694328 0.29613351694328 0.28640147377686 15.999 10 O 0.44138101318555 0.07297362373220 0.71277101692287 15.999 11 O 0.55861898681445 0.92702637626780 0.28722898307713 15.999 12 O 0.70386648305672 0.70386648305672 0.71359852622314 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.117322060013304 0.000000000000000 0.000000000000000 b 0.000000000000000 9.612175979999998 0.000000000000000 c -3.781639149069574 0.000000000000000 10.930483150720026 Atomic positions (fractional): 1 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 1 4 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 1 5 Na 0.25000000000000 0.65839871742761 0.00000000000000 22.990 > 5 6 Na 0.75000000000000 0.65839871742761 0.00000000000000 22.990 > 5 7 Na 0.25000000000000 0.65839871742761 0.50000000000000 22.990 > 5 8 Na 0.75000000000000 0.65839871742761 0.50000000000000 22.990 > 5 9 Na 0.25000000000000 0.34160128257239 0.00000000000000 22.990 > 9 10 Na 0.75000000000000 0.34160128257239 0.00000000000000 22.990 > 9 11 Na 0.25000000000000 0.34160128257239 0.50000000000000 22.990 > 9 12 Na 0.75000000000000 0.34160128257239 0.50000000000000 22.990 > 9 13 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 13 14 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 13 15 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 13 16 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 13 17 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 18 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 1 20 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 1 21 Na 0.00000000000000 0.15839871742761 0.00000000000000 22.990 > 5 22 Na 0.50000000000000 0.15839871742761 0.00000000000000 22.990 > 5 23 Na 0.00000000000000 0.15839871742761 0.50000000000000 22.990 > 5 24 Na 0.50000000000000 0.15839871742761 0.50000000000000 22.990 > 5 25 Na 0.00000000000000 0.84160128257239 0.00000000000000 22.990 > 9 26 Na 0.50000000000000 0.84160128257239 0.00000000000000 22.990 > 9 27 Na 0.00000000000000 0.84160128257239 0.50000000000000 22.990 > 9 28 Na 0.50000000000000 0.84160128257239 0.50000000000000 22.990 > 9 29 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 13 30 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 13 31 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 13 32 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 13 33 Sn 0.25000000000000 0.83265099989106 0.25000000000000 118.710 > 33 34 Sn 0.75000000000000 0.83265099989106 0.25000000000000 118.710 > 33 35 Sn 0.25000000000000 0.83265099989106 0.75000000000000 118.710 > 33 36 Sn 0.75000000000000 0.83265099989106 0.75000000000000 118.710 > 33 37 Sn 0.25000000000000 0.16734900010894 0.25000000000000 118.710 > 37 38 Sn 0.75000000000000 0.16734900010894 0.25000000000000 118.710 > 37 39 Sn 0.25000000000000 0.16734900010894 0.75000000000000 118.710 > 37 40 Sn 0.75000000000000 0.16734900010894 0.75000000000000 118.710 > 37 41 Sn 0.00000000000000 0.33265099989106 0.25000000000000 118.710 > 33 42 Sn 0.50000000000000 0.33265099989106 0.25000000000000 118.710 > 33 43 Sn 0.00000000000000 0.33265099989106 0.75000000000000 118.710 > 33 44 Sn 0.50000000000000 0.33265099989106 0.75000000000000 118.710 > 33 45 Sn 0.00000000000000 0.66734900010894 0.25000000000000 118.710 > 37 46 Sn 0.50000000000000 0.66734900010894 0.25000000000000 118.710 > 37 47 Sn 0.00000000000000 0.66734900010894 0.75000000000000 118.710 > 37 48 Sn 0.50000000000000 0.66734900010894 0.75000000000000 118.710 > 37 49 O 0.12858865922944 0.18420369472667 0.35638550846144 15.999 > 49 50 O 0.62858865922944 0.18420369472667 0.35638550846144 15.999 > 49 51 O 0.12858865922944 0.18420369472667 0.85638550846144 15.999 > 49 52 O 0.62858865922944 0.18420369472667 0.85638550846144 15.999 > 49 53 O 0.37141134077056 0.81579630527333 0.14361449153857 15.999 > 53 54 O 0.87141134077056 0.81579630527333 0.14361449153857 15.999 > 53 55 O 0.37141134077056 0.81579630527333 0.64361449153856 15.999 > 53 56 O 0.87141134077056 0.81579630527333 0.64361449153856 15.999 > 53 57 O 0.14806675847164 0.00000000000000 0.14320073688843 15.999 > 57 58 O 0.64806675847164 0.00000000000000 0.14320073688843 15.999 > 57 59 O 0.14806675847164 0.00000000000000 0.64320073688843 15.999 > 57 60 O 0.64806675847164 0.00000000000000 0.64320073688843 15.999 > 57 61 O 0.12858865922944 0.81579630527333 0.35638550846144 15.999 > 61 62 O 0.62858865922944 0.81579630527333 0.35638550846144 15.999 > 61 63 O 0.12858865922944 0.81579630527333 0.85638550846144 15.999 > 61 64 O 0.62858865922944 0.81579630527333 0.85638550846144 15.999 > 61 65 O 0.37141134077056 0.18420369472667 0.14361449153857 15.999 > 65 66 O 0.87141134077056 0.18420369472667 0.14361449153857 15.999 > 65 67 O 0.37141134077056 0.18420369472667 0.64361449153856 15.999 > 65 68 O 0.87141134077056 0.18420369472667 0.64361449153856 15.999 > 65 69 O 0.35193324152836 0.00000000000000 0.35679926311157 15.999 > 69 70 O 0.85193324152836 0.00000000000000 0.35679926311157 15.999 > 69 71 O 0.35193324152836 0.00000000000000 0.85679926311157 15.999 > 69 72 O 0.85193324152836 0.00000000000000 0.85679926311157 15.999 > 69 73 O 0.37858865922944 0.68420369472667 0.35638550846144 15.999 > 49 74 O 0.87858865922944 0.68420369472667 0.35638550846144 15.999 > 49 75 O 0.37858865922944 0.68420369472667 0.85638550846144 15.999 > 49 76 O 0.87858865922944 0.68420369472667 0.85638550846144 15.999 > 49 77 O 0.12141134077056 0.31579630527333 0.14361449153857 15.999 > 53 78 O 0.62141134077056 0.31579630527333 0.14361449153857 15.999 > 53 79 O 0.12141134077056 0.31579630527333 0.64361449153856 15.999 > 53 80 O 0.62141134077056 0.31579630527333 0.64361449153856 15.999 > 53 81 O 0.39806675847164 0.50000000000000 0.14320073688843 15.999 > 57 82 O 0.89806675847164 0.50000000000000 0.14320073688843 15.999 > 57 83 O 0.39806675847164 0.50000000000000 0.64320073688843 15.999 > 57 84 O 0.89806675847164 0.50000000000000 0.64320073688843 15.999 > 57 85 O 0.37858865922944 0.31579630527333 0.35638550846144 15.999 > 61 86 O 0.87858865922944 0.31579630527333 0.35638550846144 15.999 > 61 87 O 0.37858865922944 0.31579630527333 0.85638550846144 15.999 > 61 88 O 0.87858865922944 0.31579630527333 0.85638550846144 15.999 > 61 89 O 0.12141134077056 0.68420369472667 0.14361449153857 15.999 > 65 90 O 0.62141134077056 0.68420369472667 0.14361449153857 15.999 > 65 91 O 0.12141134077056 0.68420369472667 0.64361449153856 15.999 > 65 92 O 0.62141134077056 0.68420369472667 0.64361449153856 15.999 > 65 93 O 0.10193324152836 0.50000000000000 0.35679926311157 15.999 > 69 94 O 0.60193324152836 0.50000000000000 0.35679926311157 15.999 > 69 95 O 0.10193324152836 0.50000000000000 0.85679926311157 15.999 > 69 96 O 0.60193324152836 0.50000000000000 0.85679926311157 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6857408 0.0000000 -0.0043201 0.0000000 3.6582431 0.0000000 -0.0043187 0.0000000 3.1229284 -------------------------- Born effective charges -------------------------- 1 Na 0.8479901 0.0000000 0.0373742 0.0000000 1.1273990 0.0000000 0.0004136 0.0000000 1.3544293 2 Na 1.0631911 0.0000000 -0.0167810 0.0000000 0.9209085 0.0000000 0.0000645 0.0000000 1.3571698 3 Na 1.0631911 0.0000000 -0.0167810 0.0000000 0.9209085 0.0000000 0.0000645 0.0000000 1.3571698 4 Na 1.0850198 0.0000000 0.0093102 0.0000000 1.0873791 0.0000000 -0.0012087 0.0000000 0.6355533 5 Sn 4.0763796 0.0000000 -0.0041876 0.0000000 4.0580851 0.0000000 0.0035819 0.0000000 2.4643891 6 Sn 4.0763796 0.0000000 -0.0041876 0.0000000 4.0580851 0.0000000 0.0035819 0.0000000 2.4643891 7 O -2.2539436 0.3885994 0.0865693 0.3705832 -1.7968755 0.1489145 0.1213394 0.2157616 -1.6011299 8 O -2.2539436 0.3885994 0.0865693 0.3705832 -1.7968755 0.1489145 0.1213394 0.2157616 -1.6011299 9 O -1.5981886 0.0000000 -0.1755121 0.0000000 -2.4926317 0.0000000 -0.2459276 0.0000000 -1.6142904 10 O -2.2539436 -0.3885994 0.0865693 -0.3705832 -1.7968755 -0.1489145 0.1213394 -0.2157616 -1.6011299 11 O -2.2539436 -0.3885994 0.0865693 -0.3705832 -1.7968755 -0.1489145 0.1213394 -0.2157616 -1.6011299 12 O -1.5981886 0.0000000 -0.1755121 0.0000000 -2.4926317 0.0000000 -0.2459276 0.0000000 -1.6142904 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 5, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 13, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 33, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 49, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 57, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyx) -0.00000002 (yyx) -0.00000002 (yxy) 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 2026-01-08 23:31:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:31:11]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.779330515003326 -4.806087989999999 0.000000000000000 b 2.779330515003326 4.806087989999999 0.000000000000000 c -1.890819574534787 0.000000000000000 5.465241575360013 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 2 Na 0.84160128257239 0.15839871742761 0.00000000000000 22.990 3 Na 0.15839871742761 0.84160128257239 0.00000000000000 22.990 4 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 5 Sn 0.66734900010894 0.33265099989106 0.50000000000000 118.710 6 Sn 0.33265099989106 0.66734900010894 0.50000000000000 118.710 7 O 0.07297362373220 0.44138101318555 0.71277101692287 15.999 8 O 0.92702637626780 0.55861898681445 0.28722898307713 15.999 9 O 0.29613351694328 0.29613351694328 0.28640147377686 15.999 10 O 0.44138101318555 0.07297362373220 0.71277101692287 15.999 11 O 0.55861898681445 0.92702637626780 0.28722898307713 15.999 12 O 0.70386648305672 0.70386648305672 0.71359852622314 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.117322060013304 0.000000000000000 0.000000000000000 b 0.000000000000000 9.612175979999998 0.000000000000000 c -3.781639149069574 0.000000000000000 10.930483150720026 Atomic positions (fractional): 1 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 1 4 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 1 5 Na 0.25000000000000 0.65839871742761 0.00000000000000 22.990 > 5 6 Na 0.75000000000000 0.65839871742761 0.00000000000000 22.990 > 5 7 Na 0.25000000000000 0.65839871742761 0.50000000000000 22.990 > 5 8 Na 0.75000000000000 0.65839871742761 0.50000000000000 22.990 > 5 9 Na 0.25000000000000 0.34160128257239 0.00000000000000 22.990 > 9 10 Na 0.75000000000000 0.34160128257239 0.00000000000000 22.990 > 9 11 Na 0.25000000000000 0.34160128257239 0.50000000000000 22.990 > 9 12 Na 0.75000000000000 0.34160128257239 0.50000000000000 22.990 > 9 13 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 13 14 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 13 15 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 13 16 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 13 17 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 18 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 1 20 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 1 21 Na 0.00000000000000 0.15839871742761 0.00000000000000 22.990 > 5 22 Na 0.50000000000000 0.15839871742761 0.00000000000000 22.990 > 5 23 Na 0.00000000000000 0.15839871742761 0.50000000000000 22.990 > 5 24 Na 0.50000000000000 0.15839871742761 0.50000000000000 22.990 > 5 25 Na 0.00000000000000 0.84160128257239 0.00000000000000 22.990 > 9 26 Na 0.50000000000000 0.84160128257239 0.00000000000000 22.990 > 9 27 Na 0.00000000000000 0.84160128257239 0.50000000000000 22.990 > 9 28 Na 0.50000000000000 0.84160128257239 0.50000000000000 22.990 > 9 29 Na 0.25000000000000 0.50000000000000 0.25000000000000 22.990 > 13 30 Na 0.75000000000000 0.50000000000000 0.25000000000000 22.990 > 13 31 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 13 32 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 13 33 Sn 0.25000000000000 0.83265099989106 0.25000000000000 118.710 > 33 34 Sn 0.75000000000000 0.83265099989106 0.25000000000000 118.710 > 33 35 Sn 0.25000000000000 0.83265099989106 0.75000000000000 118.710 > 33 36 Sn 0.75000000000000 0.83265099989106 0.75000000000000 118.710 > 33 37 Sn 0.25000000000000 0.16734900010894 0.25000000000000 118.710 > 37 38 Sn 0.75000000000000 0.16734900010894 0.25000000000000 118.710 > 37 39 Sn 0.25000000000000 0.16734900010894 0.75000000000000 118.710 > 37 40 Sn 0.75000000000000 0.16734900010894 0.75000000000000 118.710 > 37 41 Sn 0.00000000000000 0.33265099989106 0.25000000000000 118.710 > 33 42 Sn 0.50000000000000 0.33265099989106 0.25000000000000 118.710 > 33 43 Sn 0.00000000000000 0.33265099989106 0.75000000000000 118.710 > 33 44 Sn 0.50000000000000 0.33265099989106 0.75000000000000 118.710 > 33 45 Sn 0.00000000000000 0.66734900010894 0.25000000000000 118.710 > 37 46 Sn 0.50000000000000 0.66734900010894 0.25000000000000 118.710 > 37 47 Sn 0.00000000000000 0.66734900010894 0.75000000000000 118.710 > 37 48 Sn 0.50000000000000 0.66734900010894 0.75000000000000 118.710 > 37 49 O 0.12858865922944 0.18420369472667 0.35638550846144 15.999 > 49 50 O 0.62858865922944 0.18420369472667 0.35638550846144 15.999 > 49 51 O 0.12858865922944 0.18420369472667 0.85638550846144 15.999 > 49 52 O 0.62858865922944 0.18420369472667 0.85638550846144 15.999 > 49 53 O 0.37141134077056 0.81579630527333 0.14361449153857 15.999 > 53 54 O 0.87141134077056 0.81579630527333 0.14361449153857 15.999 > 53 55 O 0.37141134077056 0.81579630527333 0.64361449153856 15.999 > 53 56 O 0.87141134077056 0.81579630527333 0.64361449153856 15.999 > 53 57 O 0.14806675847164 0.00000000000000 0.14320073688843 15.999 > 57 58 O 0.64806675847164 0.00000000000000 0.14320073688843 15.999 > 57 59 O 0.14806675847164 0.00000000000000 0.64320073688843 15.999 > 57 60 O 0.64806675847164 0.00000000000000 0.64320073688843 15.999 > 57 61 O 0.12858865922944 0.81579630527333 0.35638550846144 15.999 > 61 62 O 0.62858865922944 0.81579630527333 0.35638550846144 15.999 > 61 63 O 0.12858865922944 0.81579630527333 0.85638550846144 15.999 > 61 64 O 0.62858865922944 0.81579630527333 0.85638550846144 15.999 > 61 65 O 0.37141134077056 0.18420369472667 0.14361449153857 15.999 > 65 66 O 0.87141134077056 0.18420369472667 0.14361449153857 15.999 > 65 67 O 0.37141134077056 0.18420369472667 0.64361449153856 15.999 > 65 68 O 0.87141134077056 0.18420369472667 0.64361449153856 15.999 > 65 69 O 0.35193324152836 0.00000000000000 0.35679926311157 15.999 > 69 70 O 0.85193324152836 0.00000000000000 0.35679926311157 15.999 > 69 71 O 0.35193324152836 0.00000000000000 0.85679926311157 15.999 > 69 72 O 0.85193324152836 0.00000000000000 0.85679926311157 15.999 > 69 73 O 0.37858865922944 0.68420369472667 0.35638550846144 15.999 > 49 74 O 0.87858865922944 0.68420369472667 0.35638550846144 15.999 > 49 75 O 0.37858865922944 0.68420369472667 0.85638550846144 15.999 > 49 76 O 0.87858865922944 0.68420369472667 0.85638550846144 15.999 > 49 77 O 0.12141134077056 0.31579630527333 0.14361449153857 15.999 > 53 78 O 0.62141134077056 0.31579630527333 0.14361449153857 15.999 > 53 79 O 0.12141134077056 0.31579630527333 0.64361449153856 15.999 > 53 80 O 0.62141134077056 0.31579630527333 0.64361449153856 15.999 > 53 81 O 0.39806675847164 0.50000000000000 0.14320073688843 15.999 > 57 82 O 0.89806675847164 0.50000000000000 0.14320073688843 15.999 > 57 83 O 0.39806675847164 0.50000000000000 0.64320073688843 15.999 > 57 84 O 0.89806675847164 0.50000000000000 0.64320073688843 15.999 > 57 85 O 0.37858865922944 0.31579630527333 0.35638550846144 15.999 > 61 86 O 0.87858865922944 0.31579630527333 0.35638550846144 15.999 > 61 87 O 0.37858865922944 0.31579630527333 0.85638550846144 15.999 > 61 88 O 0.87858865922944 0.31579630527333 0.85638550846144 15.999 > 61 89 O 0.12141134077056 0.68420369472667 0.14361449153857 15.999 > 65 90 O 0.62141134077056 0.68420369472667 0.14361449153857 15.999 > 65 91 O 0.12141134077056 0.68420369472667 0.64361449153856 15.999 > 65 92 O 0.62141134077056 0.68420369472667 0.64361449153856 15.999 > 65 93 O 0.10193324152836 0.50000000000000 0.35679926311157 15.999 > 69 94 O 0.60193324152836 0.50000000000000 0.35679926311157 15.999 > 69 95 O 0.10193324152836 0.50000000000000 0.85679926311157 15.999 > 69 96 O 0.60193324152836 0.50000000000000 0.85679926311157 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6857408 0.0000000 -0.0043201 0.0000000 3.6582431 0.0000000 -0.0043187 0.0000000 3.1229284 -------------------------- Born effective charges -------------------------- 1 Na 0.8479901 0.0000000 0.0373742 0.0000000 1.1273990 0.0000000 0.0004136 0.0000000 1.3544293 2 Na 1.0631911 0.0000000 -0.0167810 0.0000000 0.9209085 0.0000000 0.0000645 0.0000000 1.3571698 3 Na 1.0631911 0.0000000 -0.0167810 0.0000000 0.9209085 0.0000000 0.0000645 0.0000000 1.3571698 4 Na 1.0850198 0.0000000 0.0093102 0.0000000 1.0873791 0.0000000 -0.0012087 0.0000000 0.6355533 5 Sn 4.0763796 0.0000000 -0.0041876 0.0000000 4.0580851 0.0000000 0.0035819 0.0000000 2.4643891 6 Sn 4.0763796 0.0000000 -0.0041876 0.0000000 4.0580851 0.0000000 0.0035819 0.0000000 2.4643891 7 O -2.2539436 0.3885994 0.0865693 0.3705832 -1.7968755 0.1489145 0.1213394 0.2157616 -1.6011299 8 O -2.2539436 0.3885994 0.0865693 0.3705832 -1.7968755 0.1489145 0.1213394 0.2157616 -1.6011299 9 O -1.5981886 0.0000000 -0.1755121 0.0000000 -2.4926317 0.0000000 -0.2459276 0.0000000 -1.6142904 10 O -2.2539436 -0.3885994 0.0865693 -0.3705832 -1.7968755 -0.1489145 0.1213394 -0.2157616 -1.6011299 11 O -2.2539436 -0.3885994 0.0865693 -0.3705832 -1.7968755 -0.1489145 0.1213394 -0.2157616 -1.6011299 12 O -1.5981886 0.0000000 -0.1755121 0.0000000 -2.4926317 0.0000000 -0.2459276 0.0000000 -1.6142904 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyx) -0.00000002 (yyx) -0.00000002 (yxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 9 ] 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: 0.79, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/300) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 7.813 ( 0.000 0.000 0.000) 0.000 7.930 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 10.878 ( 0.000 0.000 0.000) 0.000 11.615 ( 0.000 0.000 0.000) 0.000 11.802 ( 0.000 0.000 0.000) 0.000 11.882 ( 0.000 0.000 0.000) 0.000 11.941 ( 0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 13.507 ( 0.000 0.000 0.000) 0.000 13.598 ( 0.000 0.000 0.000) 0.000 14.373 ( 0.000 0.000 0.000) 0.000 15.337 ( 0.000 0.000 0.000) 0.000 15.366 ( 0.000 0.000 0.000) 0.000 15.967 ( 0.000 0.000 0.000) 0.000 16.197 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/300) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 21.137 -11.692 26.610) 35.938 0.697 ( 29.583 -17.382 8.218) 35.282 1.240 ( 53.011 -32.701 8.582) 62.874 3.564 ( 15.940 11.840 -9.521) 22.021 3.991 ( -3.610 -0.343 -1.144) 3.802 4.401 ( -0.848 -10.516 -3.245) 11.038 4.593 ( -1.611 0.431 10.555) 10.686 5.233 ( -7.133 2.836 2.600) 8.104 5.843 ( 0.364 6.146 -0.038) 6.157 6.075 ( -9.165 -4.359 2.514) 10.456 6.244 ( 0.619 2.041 0.405) 2.170 6.594 ( 2.680 -0.821 -2.975) 4.087 7.195 ( -4.553 0.846 -1.108) 4.762 7.487 ( -15.520 12.132 -0.561) 19.707 7.564 ( -5.145 9.596 -1.681) 11.017 7.997 ( 6.572 -8.588 -4.240) 11.615 8.138 ( 10.456 -5.092 -1.437) 11.719 8.362 ( -7.266 6.056 14.017) 16.910 9.273 ( -0.353 -3.006 0.175) 3.032 9.288 ( 2.697 -0.075 -0.975) 2.869 10.023 ( 5.583 9.892 2.953) 11.736 10.385 ( -12.702 -20.928 3.139) 24.681 10.831 ( -4.036 1.642 -1.310) 4.550 11.545 ( 0.959 1.973 -3.377) 4.027 11.689 ( 1.572 -9.696 1.340) 9.914 11.773 ( 10.307 16.027 -2.782) 19.257 12.105 ( 11.340 -10.613 -0.950) 15.560 13.042 ( 10.385 -5.454 -19.641) 22.878 13.321 ( -8.917 11.005 -2.307) 14.351 13.501 ( -3.595 -3.281 -7.249) 8.732 14.433 ( 4.154 -2.592 0.813) 4.964 15.310 ( -1.826 2.473 -1.163) 3.287 15.364 ( -0.742 -1.464 -0.108) 1.645 15.952 ( -1.580 1.315 1.166) 2.364 16.220 ( 1.657 -1.962 -0.020) 2.568 17.206 ( -0.184 1.797 -6.965) 7.196 ======================= Grid point 2 (3/300) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 21.722 -12.278 23.446) 34.239 1.386 ( 28.942 -17.067 8.010) 34.542 2.432 ( 49.939 -30.184 8.275) 58.936 3.683 ( 14.598 8.648 -5.225) 17.753 3.909 ( -5.494 -0.631 -1.798) 5.815 4.488 ( 1.978 -8.433 -2.516) 9.020 4.634 ( -1.062 -0.423 11.201) 11.259 5.073 ( -9.983 3.120 3.634) 11.073 5.680 ( -8.690 11.588 -0.845) 14.509 6.050 ( -3.546 -7.349 2.109) 8.428 6.220 ( -1.476 4.541 4.345) 6.456 6.577 ( -3.383 2.017 -2.094) 4.460 7.017 ( -12.182 9.875 0.381) 15.686 7.166 ( -9.536 3.172 -1.663) 10.186 7.431 ( -0.530 6.631 -3.832) 7.677 8.092 ( -0.503 -3.491 -5.016) 6.132 8.249 ( -4.932 1.808 7.476) 9.137 8.311 ( 5.159 -2.405 -2.339) 6.154 9.309 ( 1.031 -3.625 -0.604) 3.817 9.346 ( 3.350 -2.098 0.643) 4.004 10.029 ( 3.994 5.842 -2.402) 7.473 10.411 ( -2.712 -9.091 0.450) 9.497 10.714 ( -6.936 2.317 -0.604) 7.337 11.546 ( 1.646 0.325 1.029) 1.969 11.805 ( 12.055 12.094 -3.237) 17.380 11.853 ( 2.375 -14.001 1.953) 14.335 12.420 ( 15.296 -8.778 -1.546) 17.704 12.985 ( -15.762 11.995 -1.360) 19.853 13.174 ( 9.267 -3.605 -11.159) 14.946 13.444 ( -4.828 -3.802 5.525) 8.264 14.524 ( 2.884 -1.952 0.964) 3.614 15.222 ( -3.872 4.288 -1.060) 5.874 15.370 ( -0.546 -2.981 -1.484) 3.375 15.904 ( -2.991 2.555 1.692) 4.282 16.282 ( 2.467 -3.642 0.211) 4.404 17.120 ( -0.943 5.698 -7.186) 9.220 ======================= Grid point 3 (4/300) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 20.995 -12.342 19.165) 30.991 2.049 ( 27.362 -16.083 7.242) 32.554 3.510 ( 43.020 -24.904 6.418) 50.121 3.747 ( 1.023 5.392 -1.795) 5.775 3.860 ( 5.786 2.307 -4.134) 7.476 4.552 ( -1.150 0.575 3.446) 3.678 4.682 ( -2.461 -4.172 6.269) 7.922 4.945 ( -5.729 -3.249 2.881) 7.188 5.390 ( -11.462 11.272 -0.752) 16.093 5.999 ( -8.288 1.779 -1.663) 8.638 6.214 ( -0.063 -0.371 9.018) 9.025 6.430 ( -8.992 5.296 1.202) 10.505 6.716 ( -9.135 10.020 -0.475) 13.568 7.079 ( -0.965 -1.006 -2.659) 3.002 7.336 ( -1.991 4.855 -5.996) 7.968 8.010 ( -7.243 -0.510 -0.294) 7.267 8.188 ( -6.757 0.788 5.002) 8.444 8.388 ( 5.391 -0.353 -6.956) 8.808 9.367 ( 2.482 -3.351 -0.913) 4.269 9.445 ( 3.966 -4.121 2.156) 6.112 10.023 ( 4.707 4.261 -6.635) 9.183 10.458 ( 0.650 -2.928 -0.891) 3.129 10.568 ( -9.015 0.426 2.437) 9.348 11.607 ( 4.876 0.173 1.724) 5.175 11.871 ( 9.221 8.058 -2.141) 12.432 12.038 ( 1.919 -13.866 0.090) 13.999 12.528 ( -11.078 10.410 -2.277) 15.371 12.769 ( 6.716 -0.761 -1.633) 6.953 13.251 ( 4.321 -5.439 -5.694) 8.982 13.548 ( 4.635 -6.294 11.208) 13.664 14.557 ( -0.742 0.257 0.655) 1.023 15.102 ( -4.434 4.543 -1.518) 6.527 15.387 ( -0.248 -4.363 -2.146) 4.868 15.825 ( -4.046 3.823 1.521) 5.771 16.365 ( 2.372 -4.501 0.834) 5.155 16.993 ( -1.327 7.688 -7.772) 11.013 ======================= Grid point 4 (5/300) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 17.123 -10.629 14.080) 24.585 2.649 ( 23.698 -13.711 5.281) 27.884 3.632 ( -4.545 2.982 -2.334) 5.915 3.911 ( 5.353 5.736 -3.563) 8.617 4.364 ( 24.374 -14.854 2.308) 28.637 4.491 ( 1.099 1.979 6.192) 6.593 4.670 ( -5.955 0.338 3.869) 7.109 4.964 ( -4.606 -10.240 -2.766) 11.564 5.164 ( -0.921 9.130 3.700) 9.894 5.808 ( -9.509 1.615 0.622) 9.665 6.164 ( -7.685 8.495 -0.409) 11.463 6.331 ( -0.615 -3.080 4.541) 5.521 6.580 ( -1.181 4.606 6.155) 7.778 7.075 ( 0.564 -0.146 -2.469) 2.537 7.194 ( -5.065 3.560 -8.830) 10.784 7.907 ( -5.266 -0.596 -0.372) 5.313 8.058 ( -9.091 3.140 3.740) 10.319 8.421 ( 3.118 0.107 -5.625) 6.433 9.439 ( 2.585 -3.576 -0.309) 4.423 9.562 ( 4.013 -3.252 1.640) 5.419 10.039 ( 6.856 3.190 -8.230) 11.177 10.389 ( -8.235 1.337 1.388) 8.458 10.529 ( -0.450 -2.749 2.182) 3.539 11.707 ( 7.166 2.761 1.239) 7.779 11.910 ( 0.121 0.924 0.211) 0.956 12.056 ( -9.602 1.505 1.077) 9.779 12.343 ( 4.168 -1.813 -7.631) 8.882 12.790 ( -2.194 5.075 1.636) 5.766 13.447 ( 9.993 -11.330 -1.846) 15.220 13.772 ( 8.206 -4.079 10.696) 14.085 14.495 ( -5.125 2.953 -0.278) 5.921 14.989 ( -3.317 3.139 -1.882) 4.940 15.425 ( 0.696 -5.721 -2.083) 6.128 15.720 ( -4.411 5.168 1.120) 6.886 16.448 ( 1.506 -4.443 1.656) 4.975 16.856 ( -1.113 7.439 -7.025) 10.292 ======================= Grid point 5 (6/300) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 7.267 -4.747 6.009) 10.557 3.101 ( 13.883 -7.982 1.938) 16.131 3.520 ( -4.531 2.853 -1.122) 5.471 3.878 ( -0.676 3.414 -1.090) 3.647 4.395 ( 0.668 1.814 -1.468) 2.427 4.532 ( -8.110 1.402 2.937) 8.739 4.854 ( 8.437 -5.758 0.629) 10.234 4.936 ( -0.522 -0.612 -1.083) 1.349 5.204 ( 3.070 0.339 2.117) 3.744 5.735 ( -1.886 -3.687 1.849) 4.535 5.987 ( -2.836 6.540 -0.370) 7.138 6.356 ( -0.484 -1.790 -1.165) 2.190 6.631 ( 2.330 -0.103 9.218) 9.509 6.985 ( -4.689 3.608 -6.991) 9.159 7.104 ( -0.249 -0.811 -1.814) 2.003 7.854 ( -0.464 -0.137 -2.353) 2.402 7.919 ( -5.821 1.927 3.364) 6.994 8.431 ( 0.967 0.061 -2.045) 2.262 9.501 ( 1.163 -2.081 0.097) 2.386 9.635 ( 1.706 -0.653 0.340) 1.858 10.092 ( 6.385 1.771 -5.356) 8.520 10.263 ( -7.054 -0.600 2.919) 7.658 10.557 ( 0.444 -0.769 0.647) 1.099 11.740 ( 1.214 8.235 0.643) 8.349 11.856 ( -5.632 -9.357 0.104) 10.922 11.972 ( 1.785 5.124 0.454) 5.445 12.438 ( 4.817 -4.133 -5.722) 8.546 12.695 ( -3.841 3.960 3.387) 6.474 13.654 ( 4.371 -5.187 -0.557) 6.806 13.999 ( 8.142 -3.196 6.035) 10.627 14.345 ( -6.921 3.770 -1.712) 8.065 14.924 ( -1.157 1.000 -0.944) 1.797 15.497 ( 2.279 -6.550 -1.530) 7.102 15.602 ( -3.780 6.298 1.062) 7.421 16.509 ( 0.453 -2.480 1.388) 2.878 16.755 ( -0.403 3.732 -3.444) 5.094 ======================= Grid point 12 (7/300) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 24.129 -0.000 26.259) 35.662 1.214 ( 34.018 -0.000 6.412) 34.617 2.122 ( 58.635 -0.000 11.999) 59.850 3.800 ( 15.041 -0.000 -9.086) 17.573 3.902 ( -5.664 0.000 -1.859) 5.961 4.368 ( 2.022 -0.000 -0.020) 2.023 4.640 ( -0.396 0.000 10.909) 10.916 5.104 ( -12.066 0.000 4.121) 12.750 5.834 ( -16.036 0.000 2.077) 16.170 5.935 ( 3.949 -0.000 0.182) 3.954 6.264 ( -1.287 0.000 3.648) 3.868 6.595 ( -1.420 0.000 -2.805) 3.144 7.098 ( -6.930 0.000 1.040) 7.007 7.221 ( -19.825 0.000 -1.918) 19.918 7.492 ( -4.725 0.000 -2.796) 5.490 8.071 ( 7.139 -0.000 -8.949) 11.448 8.263 ( 7.701 -0.000 -2.425) 8.074 8.284 ( -10.961 0.000 11.276) 15.725 9.238 ( -0.566 0.000 0.716) 0.912 9.351 ( 4.337 -0.000 -0.702) 4.393 10.103 ( -1.041 0.000 -0.530) 1.168 10.289 ( 5.574 -0.000 -0.917) 5.649 10.741 ( -6.361 0.000 -2.231) 6.741 11.614 ( 4.890 -0.000 0.977) 4.987 11.631 ( 0.240 -0.000 3.150) 3.159 12.057 ( 6.996 -0.000 -4.460) 8.297 12.213 ( 19.401 -0.000 -3.820) 19.773 13.129 ( -18.128 0.000 -1.469) 18.187 13.141 ( 13.228 -0.000 -11.929) 17.812 13.382 ( -5.072 0.000 1.097) 5.189 14.501 ( 4.055 -0.000 0.882) 4.150 15.282 ( -1.688 0.000 -4.802) 5.090 15.324 ( -2.995 0.000 2.055) 3.632 15.928 ( -3.032 0.000 1.771) 3.511 16.246 ( 2.663 -0.000 0.222) 2.673 17.184 ( -1.051 0.000 -4.694) 4.810 ======================= Grid point 13 (8/300) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 24.115 -3.936 21.755) 32.716 1.826 ( 31.644 -6.676 6.579) 33.003 3.157 ( 51.944 -10.273 10.545) 53.990 3.788 ( -6.638 0.150 -1.967) 6.925 3.976 ( 15.115 6.764 -6.692) 17.860 4.437 ( 2.289 -7.466 -1.246) 7.908 4.689 ( -1.569 2.023 11.391) 11.675 4.912 ( -13.256 -1.017 3.866) 13.846 5.551 ( -15.562 4.905 2.679) 16.535 5.978 ( -1.988 -1.802 -3.340) 4.285 6.241 ( -4.124 1.506 9.953) 10.878 6.496 ( -7.662 1.795 -1.177) 7.957 6.887 ( -12.384 6.644 -1.112) 14.098 7.035 ( -3.505 -2.970 -0.912) 4.684 7.395 ( -4.074 1.300 -5.397) 6.886 8.027 ( -6.212 1.597 -1.374) 6.560 8.219 ( -1.944 1.950 2.123) 3.477 8.348 ( 3.625 -2.827 -5.054) 6.832 9.272 ( 1.503 -4.058 1.191) 4.489 9.418 ( 3.696 -0.108 1.305) 3.921 10.080 ( 1.962 1.585 -5.827) 6.349 10.390 ( 4.791 -2.633 -0.853) 5.533 10.605 ( -7.757 1.801 -1.575) 8.117 11.630 ( 2.952 2.792 2.188) 4.615 11.782 ( 3.851 -9.092 2.335) 10.147 12.085 ( 8.673 9.421 -5.653) 13.998 12.556 ( 14.873 -7.344 -4.171) 17.104 12.795 ( -14.889 5.001 -1.284) 15.759 13.188 ( -1.186 -1.931 -9.657) 9.919 13.462 ( 9.329 -2.301 11.794) 15.213 14.551 ( 0.904 -0.463 0.312) 1.062 15.190 ( -3.472 4.115 -4.152) 6.799 15.306 ( -2.556 -3.787 0.402) 4.586 15.873 ( -4.119 1.276 1.764) 4.659 16.305 ( 3.012 -1.657 0.932) 3.561 17.109 ( -2.550 3.632 -5.136) 6.787 ======================= Grid point 14 (9/300) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 22.004 -4.651 16.497) 27.892 2.429 ( 28.026 -9.087 5.979) 30.063 3.663 ( -6.054 0.629 -2.209) 6.475 4.057 ( 21.036 0.082 1.935) 21.125 4.076 ( 24.574 -2.852 0.394) 24.742 4.539 ( 0.044 -3.946 0.497) 3.977 4.614 ( -8.193 -0.292 4.567) 9.385 4.805 ( -6.974 -5.707 1.953) 9.221 5.328 ( -5.492 6.766 7.209) 11.309 5.811 ( -15.399 -0.481 -1.911) 15.525 6.254 ( -0.222 0.943 4.667) 4.767 6.344 ( -5.861 3.086 1.811) 6.867 6.701 ( -3.139 6.943 3.630) 8.440 7.035 ( -0.115 -3.150 -1.307) 3.413 7.254 ( -6.423 2.219 -9.150) 11.397 7.913 ( -5.608 0.810 2.164) 6.065 8.136 ( -4.718 5.196 -0.724) 7.056 8.383 ( 0.878 -3.846 -6.201) 7.350 9.361 ( 3.212 -4.326 0.801) 5.447 9.497 ( 3.113 -2.717 2.792) 4.987 10.077 ( 3.964 0.945 -8.000) 8.978 10.443 ( -6.786 3.507 -1.286) 7.746 10.476 ( 2.250 -2.400 -0.036) 3.290 11.673 ( -1.434 -4.268 1.896) 4.886 11.873 ( -1.349 -0.949 1.897) 2.514 12.144 ( 10.631 2.579 -7.345) 13.176 12.446 ( -6.610 11.403 -2.460) 13.408 12.815 ( 0.127 -2.273 0.253) 2.290 13.224 ( 7.208 -11.162 -4.504) 14.030 13.741 ( 14.118 0.436 10.797) 17.779 14.531 ( -3.157 0.875 -0.878) 3.392 15.062 ( -4.153 4.241 -3.472) 6.877 15.315 ( -1.599 -5.549 -0.270) 5.781 15.793 ( -4.575 2.542 1.533) 5.454 16.380 ( 2.520 -2.509 2.118) 4.139 16.984 ( -3.404 5.401 -5.554) 8.462 ======================= Grid point 15 (10/300) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 15.700 -1.861 10.061) 18.740 2.951 ( 21.525 -7.477 3.650) 23.078 3.559 ( -4.454 1.051 -1.370) 4.777 4.001 ( -3.015 9.397 -1.176) 9.938 4.408 ( -3.705 -0.257 -2.429) 4.437 4.535 ( -7.643 -1.262 2.790) 8.233 4.675 ( 9.448 -11.042 2.326) 14.717 4.810 ( 0.669 -9.312 -2.584) 9.687 5.315 ( 1.573 7.772 4.230) 8.987 5.614 ( -7.244 -4.859 5.355) 10.235 6.189 ( 0.737 8.590 -1.631) 8.775 6.341 ( 2.636 0.213 1.910) 3.263 6.675 ( 0.853 4.701 9.816) 10.917 7.039 ( -5.476 1.321 -8.132) 9.892 7.073 ( -1.955 -1.504 -3.043) 3.917 7.861 ( -1.442 0.621 1.903) 2.467 7.986 ( -5.140 5.226 -2.109) 7.627 8.388 ( -1.402 -4.447 -3.768) 5.995 9.451 ( 3.093 -2.707 0.687) 4.167 9.591 ( 1.758 -3.810 2.299) 4.785 10.091 ( 0.740 -1.207 -4.264) 4.493 10.310 ( -1.438 4.457 -2.964) 5.542 10.526 ( 0.942 -2.103 -0.395) 2.337 11.612 ( -15.078 -10.048 1.554) 18.186 11.870 ( 4.861 4.432 -0.544) 6.601 12.224 ( 7.295 13.722 -1.427) 15.606 12.343 ( 4.408 -3.339 -7.357) 9.203 12.741 ( -8.269 0.827 4.660) 9.527 13.492 ( 10.980 -11.353 -3.638) 16.208 14.003 ( 13.304 3.481 6.369) 15.155 14.419 ( -6.710 3.200 -2.459) 7.830 14.953 ( -3.128 2.115 -1.585) 4.096 15.363 ( 0.235 -7.316 0.063) 7.320 15.698 ( -4.295 3.770 1.644) 5.947 16.455 ( 1.610 -2.596 3.607) 4.726 16.846 ( -3.445 4.959 -4.781) 7.702 ======================= Grid point 16 (11/300) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 2.757 6.262 -0.658) 6.873 3.224 ( 1.945 3.737 0.110) 4.214 3.481 ( -1.020 -0.154 0.625) 1.206 3.868 ( -3.337 2.345 0.751) 4.147 4.333 ( -4.295 -4.564 -0.648) 6.300 4.500 ( 2.945 -1.522 -1.782) 3.764 4.817 ( -2.191 -9.818 -0.003) 10.059 4.868 ( -3.902 -3.491 0.052) 5.236 5.250 ( -2.585 -2.311 -1.984) 3.995 5.661 ( 0.927 0.394 4.386) 4.500 6.123 ( 3.662 11.574 -1.905) 12.289 6.408 ( 4.827 3.872 3.788) 7.255 6.669 ( -2.555 3.715 -4.490) 6.364 6.917 ( -0.529 -3.083 0.665) 3.198 7.097 ( 0.496 -1.387 2.673) 3.052 7.869 ( 1.411 1.295 3.883) 4.329 7.908 ( 3.632 0.856 -6.113) 7.162 8.383 ( -3.215 -4.876 0.160) 5.842 9.515 ( 1.870 -0.639 0.340) 2.005 9.623 ( -2.417 -1.600 1.698) 3.360 10.043 ( -7.624 -2.608 3.546) 8.804 10.316 ( 9.081 3.992 -6.539) 11.881 10.545 ( -0.015 -1.995 -1.434) 2.457 11.498 ( -10.490 -12.935 0.259) 16.656 11.902 ( 2.169 1.987 -1.598) 3.347 12.174 ( 6.120 15.611 0.540) 16.776 12.448 ( 4.677 -4.289 -4.419) 7.733 12.633 ( -6.911 -1.002 4.431) 8.270 13.677 ( 4.029 -3.142 -2.743) 5.799 14.096 ( -1.275 6.784 -6.676) 9.603 14.314 ( 3.139 0.868 0.930) 3.387 14.913 ( -0.566 -0.183 1.422) 1.541 15.463 ( 2.512 -8.286 0.524) 8.674 15.604 ( -3.434 4.699 2.330) 6.269 16.521 ( 1.208 -1.253 4.377) 4.711 16.738 ( -3.091 1.836 -1.734) 3.991 ======================= Grid point 17 (12/300) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -10.443 14.821 -10.428) 20.915 2.935 ( -17.357 16.112 -3.872) 23.997 3.555 ( 1.838 -4.617 2.426) 5.530 3.847 ( -1.762 -1.499 2.618) 3.494 4.372 ( 3.450 -5.261 -2.748) 6.866 4.603 ( 1.504 -4.617 -0.682) 4.904 4.651 ( -14.606 6.466 -5.316) 16.835 4.929 ( 2.725 -9.835 2.241) 10.449 5.213 ( -0.937 7.241 -0.549) 7.322 5.694 ( 1.525 -7.345 -1.190) 7.595 6.111 ( 7.125 5.178 0.002) 8.808 6.432 ( 0.947 6.978 0.779) 7.085 6.537 ( -1.125 -0.079 -10.047) 10.110 7.006 ( -0.425 -6.711 3.904) 7.775 7.154 ( 2.253 -1.045 6.612) 7.063 7.934 ( 6.891 1.779 -1.615) 7.298 8.012 ( 10.597 -1.665 -2.414) 10.995 8.375 ( -4.932 -4.706 3.977) 7.892 9.497 ( -3.641 2.529 0.647) 4.481 9.592 ( -2.505 -0.275 0.536) 2.576 9.970 ( -7.662 -3.540 6.007) 10.360 10.397 ( 6.312 1.722 -2.342) 6.949 10.565 ( 4.387 0.761 -4.823) 6.564 11.520 ( -4.268 -14.576 -0.611) 15.200 11.868 ( -3.380 0.749 -1.808) 3.905 12.176 ( 9.252 9.210 1.304) 13.119 12.442 ( -3.661 6.750 5.284) 9.321 12.646 ( 0.768 -8.992 -2.507) 9.366 13.622 ( -7.296 6.446 -1.798) 9.900 13.886 ( -4.854 7.506 -11.654) 14.688 14.432 ( 6.405 -3.011 -1.144) 7.170 14.948 ( 2.322 -1.265 2.442) 3.600 15.522 ( -2.336 3.977 1.884) 4.982 15.601 ( 3.838 -6.867 1.377) 7.986 16.537 ( 0.031 4.494 0.710) 4.550 16.726 ( -1.297 -5.703 6.221) 8.538 ======================= Grid point 18 (13/300) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -16.741 18.937 -15.065) 29.425 2.407 ( -20.803 21.122 -6.744) 30.404 3.607 ( -4.929 -6.224 2.786) 8.414 3.852 ( 0.687 0.077 3.198) 3.272 4.043 ( -30.853 26.894 -3.488) 41.078 4.481 ( 5.317 -4.873 -7.138) 10.147 4.700 ( 3.286 -3.900 -4.308) 6.676 5.051 ( -3.706 0.849 -1.440) 4.066 5.187 ( 9.583 -3.415 4.234) 11.019 5.866 ( 7.234 -11.829 -0.804) 13.889 6.250 ( 7.130 -1.141 -0.786) 7.263 6.337 ( 2.138 1.177 -8.756) 9.090 6.573 ( 4.203 -4.357 0.697) 6.093 7.048 ( -2.501 -4.866 2.993) 6.237 7.248 ( 1.259 -3.443 6.102) 7.119 8.028 ( 8.296 0.457 -5.813) 10.140 8.201 ( 11.728 1.874 -0.471) 11.886 8.350 ( -7.013 -4.037 6.498) 10.378 9.396 ( -6.373 1.076 2.085) 6.791 9.539 ( -1.437 3.974 -1.938) 4.649 9.930 ( -6.783 -5.179 6.349) 10.637 10.464 ( 2.775 -1.144 1.649) 3.424 10.619 ( 9.006 4.323 -6.867) 12.122 11.563 ( -2.961 -6.509 -0.589) 7.175 11.772 ( -7.215 -0.539 -0.127) 7.237 12.317 ( -5.124 6.918 4.526) 9.726 12.347 ( 14.980 0.369 -1.261) 15.038 12.704 ( -4.386 -6.713 1.235) 8.113 13.380 ( -9.220 7.008 -1.643) 11.697 13.687 ( -3.285 8.185 -10.820) 13.959 14.529 ( 2.733 -2.793 -1.941) 4.363 15.033 ( 4.427 -2.466 1.245) 5.218 15.465 ( -1.621 3.742 2.506) 4.787 15.731 ( 3.849 -5.973 -0.053) 7.106 16.467 ( -1.831 6.005 -0.331) 6.287 16.844 ( 1.254 -7.621 10.254) 12.837 ======================= Grid point 19 (14/300) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -17.608 21.003 -17.457) 32.495 1.805 ( -19.788 25.884 -8.030) 33.556 3.135 ( -35.283 40.951 -3.737) 54.183 3.547 ( -11.120 -5.387 2.402) 12.587 3.919 ( 4.843 0.242 1.832) 5.184 4.531 ( 1.066 -2.391 -4.815) 5.480 4.724 ( 1.307 4.925 -4.695) 6.928 5.005 ( 2.481 -2.751 -1.444) 3.976 5.443 ( 7.039 -12.218 3.036) 14.424 6.075 ( 4.827 -9.013 -0.692) 10.248 6.206 ( 2.883 7.325 -6.920) 10.481 6.499 ( 6.892 -7.130 -0.410) 9.924 6.773 ( 9.094 -13.230 2.036) 16.183 7.085 ( 0.299 -6.489 1.436) 6.653 7.312 ( -1.380 -4.028 4.049) 5.876 8.129 ( 7.402 -1.303 -5.631) 9.391 8.277 ( -4.475 2.444 4.667) 6.912 8.329 ( 3.420 2.069 0.365) 4.014 9.310 ( -5.137 -0.251 2.873) 5.891 9.457 ( -0.895 5.890 -2.828) 6.595 9.906 ( -6.806 -6.815 3.635) 10.295 10.534 ( 5.016 1.887 2.589) 5.952 10.698 ( 8.628 2.346 -5.546) 10.522 11.563 ( -0.112 -0.912 0.122) 0.927 11.649 ( -9.373 -1.383 1.844) 9.652 12.159 ( -1.088 15.534 -1.374) 15.632 12.482 ( -11.368 -1.074 0.076) 11.419 12.750 ( 9.428 -11.330 1.776) 14.847 13.248 ( -4.312 2.643 6.295) 8.075 13.515 ( -1.100 4.961 -11.096) 12.204 14.548 ( -0.654 -0.001 -1.603) 1.731 15.144 ( 4.796 -3.603 -0.021) 5.999 15.425 ( -1.216 2.776 2.161) 3.722 15.834 ( 2.832 -4.748 -0.923) 5.606 16.374 ( -2.417 5.702 -0.056) 6.194 17.004 ( 2.631 -6.141 10.686) 12.603 ======================= Grid point 20 (15/300) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -14.036 23.726 -16.269) 32.009 1.203 ( -14.131 31.836 -7.517) 35.633 2.114 ( -30.697 53.055 -2.789) 61.359 3.419 ( -11.023 -3.930 2.179) 11.904 3.997 ( 3.415 0.176 0.873) 3.529 4.533 ( -0.150 0.073 1.039) 1.052 4.633 ( 0.763 7.884 -5.507) 9.647 5.129 ( 4.956 -7.959 -1.940) 9.575 5.652 ( 2.373 -12.397 1.519) 12.713 6.151 ( 0.897 -2.844 -4.324) 5.253 6.201 ( 4.405 3.623 -0.095) 5.704 6.608 ( 0.883 -0.629 2.175) 2.430 7.087 ( 9.787 -14.993 0.224) 17.906 7.237 ( 6.402 -13.704 -1.374) 15.188 7.329 ( -4.673 -6.587 3.718) 8.891 8.170 ( -4.450 4.996 3.559) 7.578 8.216 ( 1.316 -0.897 -2.347) 2.837 8.319 ( 1.995 6.437 -3.484) 7.586 9.269 ( -2.139 -0.147 2.917) 3.621 9.369 ( -1.644 4.958 -2.761) 5.908 9.876 ( -6.154 -7.227 0.366) 9.499 10.639 ( 11.557 5.942 1.536) 13.086 10.786 ( 5.324 -1.574 -3.846) 6.754 11.514 ( -11.705 -4.370 3.424) 12.955 11.611 ( 7.029 3.163 0.946) 7.766 11.980 ( 0.008 17.096 -2.982) 17.354 12.205 ( -17.212 2.456 0.134) 17.387 13.066 ( 8.696 -15.689 0.479) 17.945 13.171 ( -5.441 7.186 10.885) 14.132 13.476 ( 2.085 -4.205 -6.645) 8.136 14.499 ( -2.156 3.264 -0.969) 4.030 15.246 ( 3.129 -3.843 -0.367) 4.970 15.395 ( -0.893 1.826 1.196) 2.358 15.903 ( 1.478 -3.673 -0.916) 4.064 16.287 ( -1.846 4.840 0.040) 5.180 17.156 ( 3.274 -3.470 8.716) 9.936 ======================= Grid point 21 (16/300) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -0.000 27.790 -0.000) 27.790 0.713 ( -0.000 37.404 -0.000) 37.404 1.230 ( -0.000 64.194 -0.000) 64.194 3.321 ( 0.000 -0.168 0.000) 0.168 4.027 ( -0.000 0.238 -0.000) 0.238 4.554 ( -0.000 6.653 -0.000) 6.653 4.555 ( 0.000 -1.495 0.000) 1.495 5.240 ( 0.000 -6.402 0.000) 6.402 5.779 ( 0.000 -9.978 0.000) 9.978 6.168 ( -0.000 0.434 -0.000) 0.434 6.220 ( 0.000 -0.685 0.000) 0.685 6.599 ( -0.000 2.716 -0.000) 2.716 7.236 ( -0.000 1.435 -0.000) 1.435 7.436 ( 0.000 -22.168 0.000) 22.168 7.463 ( 0.000 -17.899 0.000) 17.899 8.078 ( -0.000 7.159 -0.000) 7.159 8.131 ( -0.000 15.057 -0.000) 15.057 8.298 ( 0.000 -1.215 0.000) 1.215 9.271 ( -0.000 0.323 -0.000) 0.323 9.293 ( -0.000 3.130 -0.000) 3.130 9.870 ( 0.000 -4.930 0.000) 4.930 10.786 ( -0.000 2.179 -0.000) 2.179 10.836 ( 0.000 -4.362 0.000) 4.362 11.414 ( 0.000 -1.653 0.000) 1.653 11.689 ( -0.000 6.407 -0.000) 6.407 11.869 ( -0.000 5.933 -0.000) 5.933 11.938 ( -0.000 6.802 -0.000) 6.802 13.098 ( -0.000 5.671 -0.000) 5.671 13.277 ( 0.000 -12.682 0.000) 12.682 13.533 ( 0.000 -5.979 0.000) 5.979 14.431 ( -0.000 4.837 -0.000) 4.837 15.304 ( 0.000 -3.154 0.000) 3.154 15.377 ( -0.000 1.098 -0.000) 1.098 15.942 ( 0.000 -2.577 0.000) 2.577 16.230 ( -0.000 3.685 -0.000) 3.685 17.251 ( 0.000 -2.345 0.000) 2.345 ======================= Grid point 24 (17/300) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 23.926 -0.000 17.504) 29.645 2.335 ( 29.576 -0.000 5.832) 30.146 3.668 ( -6.402 0.000 -2.093) 6.735 3.942 ( 39.853 -0.000 8.247) 40.698 4.213 ( 12.509 -0.000 -6.318) 14.014 4.411 ( -0.154 0.000 0.127) 0.199 4.676 ( -14.946 0.000 1.421) 15.014 4.725 ( -3.986 0.000 6.943) 8.006 5.395 ( -6.735 0.000 9.964) 12.027 5.804 ( -16.336 0.000 -4.008) 16.821 6.262 ( -0.248 0.000 8.185) 8.188 6.375 ( -5.811 0.000 -1.170) 5.928 6.781 ( -3.933 0.000 2.032) 4.427 6.993 ( -0.314 0.000 0.095) 0.328 7.274 ( -6.591 0.000 -8.938) 11.106 7.922 ( -6.890 0.000 4.033) 7.983 8.218 ( -0.367 0.000 -5.219) 5.232 8.315 ( -1.668 0.000 -4.984) 5.256 9.312 ( 4.519 -0.000 1.602) 4.794 9.472 ( 1.680 -0.000 3.062) 3.492 10.084 ( 2.466 -0.000 -7.489) 7.884 10.451 ( 3.974 -0.000 -1.146) 4.136 10.483 ( -6.392 0.000 -2.596) 6.899 11.622 ( -6.517 0.000 2.928) 7.144 11.869 ( 8.034 -0.000 0.168) 8.035 12.167 ( 2.707 -0.000 -7.908) 8.359 12.612 ( -6.979 0.000 -0.321) 6.986 12.754 ( 9.549 -0.000 -2.209) 9.801 13.096 ( 1.448 -0.000 -4.725) 4.941 13.753 ( 16.822 -0.000 11.007) 20.103 14.537 ( -2.331 0.000 -1.001) 2.536 15.119 ( -4.036 0.000 -7.350) 8.385 15.246 ( -3.158 0.000 3.448) 4.675 15.816 ( -4.597 0.000 1.535) 4.847 16.356 ( 2.969 -0.000 2.090) 3.631 17.038 ( -4.564 0.000 -4.706) 6.555 ======================= Grid point 25 (18/300) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 20.777 0.391 12.314) 24.155 2.835 ( 24.797 -3.932 4.356) 25.482 3.566 ( -4.321 0.028 -1.620) 4.615 4.212 ( -3.591 12.115 -0.890) 12.667 4.385 ( -3.813 -2.702 0.063) 4.674 4.470 ( 5.726 -9.068 3.025) 11.143 4.504 ( -1.768 -2.150 -1.387) 3.110 4.673 ( -1.621 -3.760 -1.757) 4.456 5.433 ( -14.218 4.034 -0.261) 14.781 5.555 ( 6.011 -1.872 14.062) 15.407 6.285 ( 0.807 2.591 -0.213) 2.722 6.345 ( 3.463 -0.321 0.183) 3.483 6.772 ( 0.486 3.912 9.122) 9.938 7.007 ( -0.080 -2.183 -0.628) 2.273 7.087 ( -7.892 0.996 -10.325) 13.034 7.871 ( -2.145 0.339 4.626) 5.111 8.109 ( -3.828 7.138 -5.798) 9.961 8.275 ( -3.720 -6.767 -5.203) 9.311 9.414 ( 5.310 -1.066 1.189) 5.545 9.521 ( 0.919 -2.553 3.463) 4.400 10.071 ( -0.900 -0.634 -4.309) 4.447 10.384 ( -0.370 2.526 -5.711) 6.256 10.493 ( 1.119 -1.071 -0.998) 1.843 11.478 ( -14.239 -3.731 2.323) 14.902 11.959 ( 5.359 4.115 -1.543) 6.931 12.198 ( 5.778 -4.847 -9.182) 11.882 12.526 ( 1.403 9.868 0.435) 9.977 12.742 ( -8.357 -0.320 4.289) 9.398 13.283 ( 15.363 -8.292 -5.830) 18.406 14.081 ( 17.226 3.098 7.378) 18.994 14.457 ( -5.727 0.894 -2.950) 6.504 14.995 ( -4.799 1.742 -4.818) 7.020 15.244 ( -1.799 -4.194 3.100) 5.517 15.745 ( -4.379 1.246 1.728) 4.870 16.421 ( 2.290 -0.922 3.660) 4.415 16.918 ( -5.392 2.145 -4.249) 7.192 ======================= Grid point 26 (19/300) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 11.737 6.143 4.465) 13.979 3.219 ( 14.328 -3.158 0.801) 14.694 3.512 ( -2.156 2.019 0.589) 3.012 3.969 ( -9.971 7.839 0.728) 12.704 4.251 ( -8.401 -3.365 -1.917) 9.250 4.475 ( -0.903 -1.311 -0.510) 1.672 4.621 ( -0.947 -10.146 0.835) 10.224 4.756 ( 1.175 -6.901 -1.274) 7.115 5.137 ( -14.238 -5.267 -4.744) 15.905 5.798 ( 10.050 9.138 12.164) 18.234 6.261 ( 1.520 3.459 -2.939) 4.787 6.470 ( 9.199 0.818 1.764) 9.402 6.770 ( -1.986 6.438 -0.218) 6.741 6.889 ( -4.938 0.096 -2.361) 5.474 7.061 ( 0.969 -1.948 3.724) 4.313 7.893 ( 3.377 1.033 1.032) 3.679 7.961 ( -1.191 4.874 -4.665) 6.851 8.255 ( -4.859 -8.310 -2.096) 9.852 9.497 ( 3.304 -0.538 1.069) 3.514 9.577 ( -0.675 -3.144 2.393) 4.009 10.006 ( -6.872 -1.233 1.721) 7.191 10.388 ( 8.804 3.034 -9.068) 12.998 10.498 ( -1.142 -2.357 -1.217) 2.888 11.309 ( -11.787 -6.712 1.003) 13.601 11.969 ( 2.554 4.662 -2.641) 5.936 12.315 ( 6.012 -7.824 -7.969) 12.683 12.450 ( 0.716 12.367 2.190) 12.580 12.639 ( -6.599 0.312 5.761) 8.765 13.561 ( 11.603 -7.347 -5.433) 14.769 14.244 ( 0.467 7.648 -7.107) 10.451 14.352 ( 3.461 2.215 -0.404) 4.129 14.913 ( -2.054 0.051 1.543) 2.570 15.306 ( 0.595 -7.482 2.955) 8.066 15.673 ( -3.809 2.470 2.739) 5.302 16.489 ( 1.605 -1.465 5.603) 6.010 16.788 ( -4.854 2.595 -2.906) 6.224 ======================= Grid point 27 (20/300) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -2.661 15.570 -6.191) 16.966 3.235 ( -9.106 14.360 -2.651) 17.209 3.473 ( 0.264 -3.660 1.731) 4.057 3.844 ( -2.141 1.129 2.144) 3.233 4.248 ( 2.092 -7.643 -1.665) 8.097 4.506 ( 0.952 -4.703 1.162) 4.937 4.648 ( -6.025 -5.871 -2.904) 8.899 4.776 ( -2.380 -5.514 1.146) 6.114 5.103 ( 0.328 -14.459 -3.803) 14.954 5.797 ( 0.039 15.009 3.574) 15.429 6.252 ( 3.924 6.134 -1.745) 7.488 6.545 ( 0.302 3.866 2.560) 4.647 6.602 ( -2.749 6.168 -11.189) 13.069 6.885 ( -2.114 -3.630 5.607) 7.006 7.128 ( 1.263 -1.851 6.078) 6.477 7.943 ( 6.965 -0.792 -9.771) 12.025 8.005 ( 8.140 0.382 3.865) 9.019 8.256 ( -3.792 -7.049 2.747) 8.462 9.531 ( -2.408 0.897 -0.024) 2.570 9.568 ( -1.788 -1.498 2.495) 3.415 9.916 ( -7.561 -2.112 4.027) 8.823 10.428 ( 0.774 0.871 -1.684) 2.048 10.558 ( 10.375 -1.058 -7.879) 13.071 11.270 ( -2.934 -10.440 -0.111) 10.844 11.921 ( -1.568 4.125 -2.564) 5.104 12.343 ( -3.523 7.571 4.939) 9.702 12.443 ( 4.380 -7.756 -4.638) 10.043 12.588 ( -0.564 4.092 3.286) 5.278 13.682 ( 0.816 0.399 -4.932) 5.015 14.032 ( -5.779 7.161 -12.025) 15.142 14.405 ( 4.390 0.252 -5.070) 6.711 14.941 ( 2.810 0.706 4.532) 5.379 15.431 ( 2.818 -8.879 1.877) 9.503 15.608 ( -3.122 3.185 4.620) 6.421 16.572 ( 2.319 -1.591 7.624) 8.126 16.683 ( -4.167 1.769 -0.534) 4.558 ======================= Grid point 28 (21/300) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -12.362 22.047 -10.999) 27.566 2.823 ( -14.366 22.133 -5.753) 27.006 3.507 ( -3.367 -4.536 1.993) 5.990 3.848 ( 0.718 -0.539 3.049) 3.178 4.372 ( 4.911 -6.417 -4.592) 9.294 4.439 ( -13.215 11.691 -0.322) 17.647 4.589 ( 0.769 -5.980 -4.809) 7.712 4.862 ( 0.211 -11.814 2.559) 12.090 5.259 ( 4.922 -4.510 -0.280) 6.682 5.685 ( 0.727 1.662 0.016) 1.814 6.246 ( 3.432 3.665 -1.264) 5.178 6.438 ( -0.256 5.047 -12.931) 13.884 6.549 ( 0.686 2.181 4.968) 5.468 6.917 ( -3.883 -7.497 3.624) 9.188 7.200 ( 0.975 -2.413 5.569) 6.147 8.019 ( 7.349 -1.023 -9.667) 12.186 8.155 ( -0.679 -8.924 3.272) 9.529 8.324 ( 8.246 2.998 4.700) 9.954 9.423 ( -7.234 1.743 1.787) 7.653 9.576 ( -0.409 0.094 -0.699) 0.815 9.845 ( -7.533 -3.470 4.945) 9.656 10.434 ( 0.098 -2.292 1.013) 2.508 10.694 ( 12.138 3.340 -8.385) 15.126 11.386 ( 3.649 -10.287 -0.503) 10.927 11.820 ( -3.977 4.201 -1.693) 6.028 12.269 ( -3.868 0.348 6.003) 7.150 12.538 ( 2.430 -0.973 -0.551) 2.675 12.576 ( 1.111 0.982 1.047) 1.815 13.512 ( -9.415 7.688 -7.420) 14.241 13.836 ( -3.404 6.786 -10.737) 13.150 14.456 ( 2.609 -4.759 -4.779) 7.231 15.017 ( 4.857 1.043 2.330) 5.487 15.512 ( -1.319 -0.278 -0.071) 1.349 15.617 ( 2.021 -4.504 5.205) 7.174 16.579 ( -2.226 5.396 0.222) 5.841 16.716 ( 2.357 -5.736 10.700) 12.368 ======================= Grid point 29 (22/300) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -14.034 25.439 -12.143) 31.488 2.321 ( -12.977 27.763 -6.774) 31.386 3.464 ( -7.017 -2.929 1.551) 7.760 3.890 ( -16.486 28.191 0.898) 32.670 3.915 ( -1.192 6.896 0.178) 7.001 4.472 ( 3.165 -3.494 -6.602) 8.113 4.666 ( 3.408 -9.320 -4.062) 10.723 4.949 ( -4.069 -7.655 1.546) 8.806 5.324 ( 4.928 2.057 2.443) 5.873 5.845 ( 6.370 -14.198 -0.429) 15.567 6.313 ( 3.031 -8.110 -5.046) 10.021 6.357 ( 4.796 6.350 -4.794) 9.290 6.607 ( 3.089 -4.006 3.061) 5.913 6.938 ( -4.593 -8.285 2.500) 9.798 7.264 ( 0.762 -2.230 3.744) 4.424 8.089 ( 5.437 -2.374 -8.181) 10.106 8.186 ( -7.286 -8.881 4.775) 12.441 8.466 ( 11.078 8.320 1.714) 13.960 9.319 ( -4.778 1.146 2.632) 5.574 9.537 ( -1.717 2.256 -2.706) 3.919 9.788 ( -7.615 -5.158 4.052) 10.051 10.492 ( 1.569 -4.787 2.840) 5.782 10.791 ( 10.858 6.058 -7.690) 14.619 11.508 ( 1.515 -2.999 1.388) 3.635 11.714 ( -1.465 5.079 -1.260) 5.435 12.279 ( -1.973 -3.646 3.926) 5.710 12.524 ( -4.395 4.615 0.284) 6.379 12.600 ( 2.124 -2.810 1.364) 3.777 13.281 ( -4.720 3.256 -5.602) 8.016 13.638 ( -5.911 6.932 -8.701) 12.598 14.510 ( 0.982 -4.266 -3.178) 5.410 15.103 ( 5.133 -0.252 0.219) 5.144 15.471 ( -2.143 1.991 1.626) 3.347 15.731 ( 2.454 -5.962 1.229) 6.564 16.485 ( -2.781 5.741 0.414) 6.393 16.893 ( 4.437 -5.570 11.450) 13.484 ======================= Grid point 30 (23/300) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -9.998 28.212 -9.797) 31.493 1.823 ( -8.022 32.733 -5.382) 34.129 3.124 ( -18.000 51.916 -0.712) 54.953 3.377 ( -6.366 -0.909 0.678) 6.466 3.989 ( 2.863 -1.290 0.935) 3.276 4.495 ( 0.462 -2.667 -3.296) 4.265 4.765 ( 2.875 1.370 -3.353) 4.625 4.951 ( -1.846 -9.243 0.879) 9.467 5.439 ( 2.881 -7.826 1.988) 8.573 6.021 ( 1.623 -9.042 -1.414) 9.295 6.327 ( 4.827 7.330 -3.627) 9.496 6.496 ( 3.615 -12.944 -0.216) 13.441 6.774 ( 4.927 -12.559 2.945) 13.808 6.972 ( -2.690 -12.220 -0.311) 12.517 7.301 ( 0.026 -0.448 1.910) 1.962 8.143 ( -2.323 -5.374 0.585) 5.884 8.171 ( -0.365 -3.285 -2.221) 3.982 8.517 ( 5.415 11.025 0.296) 12.287 9.280 ( -0.625 1.335 3.151) 3.479 9.450 ( -3.507 3.043 -3.388) 5.748 9.746 ( -5.465 -5.974 1.606) 8.254 10.601 ( 2.365 -7.018 3.610) 8.239 10.850 ( 8.296 6.479 -6.419) 12.329 11.484 ( -5.275 1.450 2.671) 6.088 11.713 ( 8.637 6.181 -0.495) 10.633 12.230 ( -11.889 0.734 1.932) 12.067 12.307 ( -3.590 15.020 -1.843) 15.553 12.764 ( 5.239 -14.459 0.139) 15.380 13.249 ( -0.342 -0.796 6.132) 6.193 13.439 ( -4.669 2.876 -10.890) 12.192 14.526 ( -0.372 -0.911 -1.496) 1.791 15.186 ( 3.547 -1.887 -0.519) 4.052 15.430 ( -1.561 1.808 1.210) 2.678 15.817 ( 1.306 -5.296 -0.114) 5.456 16.391 ( -1.968 5.887 0.249) 6.213 17.075 ( 4.130 -5.007 8.331) 10.561 ======================= Grid point 31 (24/300) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.000 29.707 -0.000) 29.707 1.408 ( -0.000 35.877 -0.000) 35.877 2.412 ( -0.000 60.280 -0.000) 60.280 3.321 ( -0.000 0.212 -0.000) 0.212 4.026 ( 0.000 -0.604 0.000) 0.604 4.514 ( 0.000 -2.652 0.000) 2.652 4.711 ( -0.000 8.649 -0.000) 8.649 5.065 ( 0.000 -12.054 0.000) 12.054 5.561 ( 0.000 -11.436 0.000) 11.436 6.093 ( 0.000 -6.304 0.000) 6.304 6.294 ( -0.000 6.447 -0.000) 6.447 6.610 ( 0.000 -3.844 0.000) 3.844 6.998 ( 0.000 -21.489 0.000) 21.489 7.095 ( 0.000 -16.718 0.000) 16.718 7.300 ( -0.000 0.895 -0.000) 0.895 8.137 ( 0.000 -1.081 0.000) 1.081 8.208 ( 0.000 -3.212 0.000) 3.212 8.443 ( -0.000 13.105 -0.000) 13.105 9.287 ( -0.000 1.587 -0.000) 1.587 9.361 ( -0.000 3.311 -0.000) 3.311 9.758 ( 0.000 -6.204 0.000) 6.204 10.716 ( 0.000 -8.143 0.000) 8.143 10.853 ( -0.000 4.945 -0.000) 4.945 11.413 ( -0.000 1.996 -0.000) 1.996 11.804 ( -0.000 5.621 -0.000) 5.621 11.985 ( -0.000 5.601 -0.000) 5.601 12.158 ( -0.000 15.351 -0.000) 15.351 12.973 ( 0.000 -17.955 0.000) 17.955 13.235 ( -0.000 8.082 -0.000) 8.082 13.394 ( 0.000 -8.141 0.000) 8.141 14.507 ( -0.000 2.342 -0.000) 2.342 15.239 ( 0.000 -3.107 0.000) 3.107 15.404 ( -0.000 1.614 -0.000) 1.614 15.874 ( 0.000 -4.543 0.000) 4.543 16.320 ( -0.000 5.573 -0.000) 5.573 17.186 ( 0.000 -4.478 0.000) 4.478 ======================= Grid point 36 (25/300) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 16.482 -0.000 7.971) 18.308 3.170 ( 14.859 -0.000 -0.776) 14.879 3.531 ( 1.181 -0.000 1.009) 1.553 4.084 ( -15.887 0.000 0.822) 15.908 4.212 ( -9.089 0.000 -2.048) 9.317 4.457 ( -2.209 0.000 0.231) 2.221 4.499 ( 0.732 -0.000 0.697) 1.011 4.680 ( 3.401 -0.000 -2.693) 4.339 5.090 ( -18.427 0.000 -4.553) 18.981 5.899 ( 14.450 -0.000 15.865) 21.459 6.292 ( -1.255 0.000 -1.975) 2.340 6.460 ( 10.043 -0.000 -2.759) 10.415 6.863 ( -7.538 0.000 -14.355) 16.214 6.876 ( 1.504 -0.000 12.773) 12.862 7.043 ( 1.131 -0.000 4.881) 5.010 7.903 ( 3.627 -0.000 0.392) 3.648 8.082 ( -1.695 0.000 -3.391) 3.791 8.098 ( -7.186 0.000 -4.669) 8.570 9.502 ( 4.313 -0.000 0.465) 4.338 9.531 ( -0.097 0.000 3.497) 3.498 9.995 ( -6.345 0.000 0.969) 6.419 10.418 ( 8.428 -0.000 -10.154) 13.196 10.474 ( -2.182 0.000 -0.846) 2.340 11.246 ( -11.789 0.000 1.384) 11.870 12.037 ( 2.086 -0.000 -2.407) 3.185 12.214 ( 6.127 -0.000 -8.769) 10.697 12.611 ( 2.057 -0.000 0.779) 2.200 12.611 ( -10.341 0.000 7.578) 12.820 13.476 ( 15.828 -0.000 -6.789) 17.222 14.325 ( -7.866 0.000 -5.552) 9.628 14.379 ( 13.070 -0.000 -3.262) 13.471 14.914 ( -2.652 0.000 1.562) 3.078 15.224 ( -0.739 0.000 4.529) 4.588 15.696 ( -3.855 0.000 2.873) 4.808 16.475 ( 1.659 -0.000 5.298) 5.552 16.815 ( -5.442 0.000 -2.679) 6.066 ======================= Grid point 37 (26/300) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 4.456 11.868 -1.437) 12.758 3.319 ( 3.986 -5.619 -2.286) 7.259 3.519 ( -5.518 6.590 -0.427) 8.606 3.888 ( -4.916 2.831 2.595) 6.238 4.110 ( -2.444 -5.630 -1.661) 6.358 4.429 ( -2.946 -2.864 4.421) 6.035 4.525 ( -1.182 -4.847 -0.379) 5.003 4.714 ( 0.859 -1.107 -2.335) 2.723 4.874 ( -5.528 -7.336 -5.915) 10.925 6.085 ( 4.095 13.307 6.790) 15.490 6.278 ( 2.365 -3.600 -0.194) 4.312 6.558 ( 1.088 -2.565 -2.216) 3.560 6.666 ( -4.895 2.161 -13.442) 14.468 6.941 ( -0.704 5.431 11.922) 13.119 7.094 ( -0.539 -1.129 6.435) 6.555 7.935 ( 2.867 0.521 -9.617) 10.049 7.977 ( -1.853 -3.342 -4.165) 5.653 8.160 ( 7.037 -2.145 6.602) 9.884 9.534 ( -0.468 -0.104 -0.518) 0.706 9.549 ( -1.183 -0.619 2.814) 3.115 9.892 ( -7.653 -0.496 3.668) 8.502 10.420 ( -3.962 -1.030 -0.342) 4.108 10.548 ( 14.292 -0.027 -10.502) 17.736 11.143 ( -2.585 -3.105 0.327) 4.054 12.003 ( -1.964 3.601 -1.870) 4.507 12.289 ( 4.113 -5.315 -6.481) 9.336 12.480 ( -7.472 4.306 7.329) 11.317 12.634 ( 0.144 0.543 1.494) 1.596 13.669 ( 10.169 -0.880 -6.621) 12.166 14.135 ( -8.047 3.208 -9.013) 12.501 14.420 ( 0.306 0.588 -13.135) 13.151 14.976 ( 6.148 2.363 7.908) 10.292 15.279 ( 1.301 -5.833 4.196) 7.302 15.651 ( -3.727 1.210 4.881) 6.259 16.537 ( 1.191 -1.200 6.981) 7.183 16.725 ( -3.486 1.461 -0.443) 3.805 ======================= Grid point 38 (27/300) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -8.203 20.294 -7.871) 23.261 3.207 ( -8.969 16.869 -4.999) 19.748 3.420 ( -2.580 -5.191 0.405) 5.811 3.842 ( -1.225 0.500 3.334) 3.587 4.197 ( 2.544 -10.979 -3.006) 11.664 4.486 ( 0.622 -2.993 5.611) 6.390 4.531 ( -0.547 -2.383 -4.449) 5.076 4.711 ( -0.733 -2.724 -0.602) 2.885 4.996 ( 6.992 -16.139 -2.071) 17.710 5.931 ( -4.251 17.052 0.997) 17.602 6.336 ( 1.625 3.283 -5.874) 6.923 6.509 ( -2.394 3.519 -6.931) 8.134 6.569 ( -2.208 -3.940 2.743) 5.284 6.871 ( -4.947 5.737 5.881) 9.590 7.140 ( -0.673 -4.090 5.375) 6.788 7.942 ( -6.336 -11.687 0.546) 13.305 8.001 ( 7.057 -0.850 -10.245) 12.469 8.387 ( 14.722 2.690 5.571) 15.969 9.455 ( -6.382 1.332 -0.281) 6.525 9.562 ( -0.499 -0.941 1.011) 1.468 9.803 ( -6.977 -1.098 4.221) 8.228 10.377 ( -3.530 -3.277 0.714) 4.869 10.742 ( 16.022 1.702 -9.180) 18.544 11.227 ( 7.349 -5.831 -0.524) 9.396 11.904 ( -4.278 4.186 -0.346) 5.995 12.305 ( -4.769 1.291 2.134) 5.382 12.429 ( 0.833 -3.171 1.049) 3.443 12.628 ( -1.907 -0.453 1.721) 2.608 13.676 ( -1.619 8.678 -7.284) 11.445 13.932 ( -4.814 3.646 -11.398) 12.899 14.351 ( -1.540 -6.128 -9.785) 11.648 15.079 ( 6.596 5.398 3.652) 9.272 15.409 ( 3.257 -8.064 1.142) 8.771 15.609 ( -3.685 1.330 7.260) 8.250 16.615 ( -0.758 -2.632 6.665) 7.206 16.678 ( 1.112 2.596 3.588) 4.566 ======================= Grid point 39 (28/300) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -11.314 25.396 -8.617) 29.107 2.825 ( -8.953 24.568 -5.484) 26.717 3.409 ( -4.220 -3.554 0.236) 5.522 3.873 ( 1.536 -2.137 2.719) 3.784 4.341 ( 4.115 -10.553 -4.780) 12.295 4.444 ( -3.523 17.454 -0.036) 17.806 4.505 ( -1.469 -4.114 -2.086) 4.841 4.753 ( -1.923 -9.716 1.368) 9.998 5.296 ( 9.753 -12.138 0.420) 15.576 5.729 ( -1.998 8.343 0.570) 8.598 6.232 ( -4.550 0.064 -5.655) 7.259 6.446 ( 3.276 1.738 -8.350) 9.136 6.605 ( 0.124 1.561 6.871) 7.047 6.802 ( -5.059 -3.839 2.376) 6.781 7.203 ( 0.322 -4.432 3.374) 5.580 7.952 ( -7.101 -13.080 1.423) 14.951 8.073 ( 5.532 -1.214 -6.672) 8.752 8.602 ( 12.631 5.739 2.572) 14.110 9.345 ( -4.612 1.079 0.270) 4.744 9.546 ( -2.783 -0.520 -0.403) 2.860 9.729 ( -5.855 -1.093 3.371) 6.844 10.381 ( -2.248 -6.378 1.692) 6.971 10.905 ( 13.503 5.709 -7.434) 16.438 11.445 ( 11.236 -4.051 -0.353) 11.949 11.801 ( -2.660 3.853 0.322) 4.693 12.231 ( -2.974 0.717 3.289) 4.492 12.468 ( -5.433 -4.659 3.588) 8.007 12.616 ( -0.563 -2.451 0.158) 2.520 13.446 ( -3.885 13.876 -9.336) 17.170 13.743 ( -7.835 3.912 -8.440) 12.162 14.384 ( 0.922 -9.022 -5.663) 10.692 15.143 ( 5.570 4.416 0.905) 7.165 15.486 ( -0.297 -1.354 -1.136) 1.792 15.625 ( -0.145 -4.310 6.161) 7.520 16.580 ( -2.609 4.003 1.873) 5.132 16.799 ( 4.742 -4.149 9.390) 11.308 ======================= Grid point 40 (29/300) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -7.739 28.933 -6.393) 30.625 2.417 ( -5.548 29.568 -3.906) 30.336 3.362 ( -3.688 -0.920 0.232) 3.809 3.942 ( 1.918 -2.608 0.865) 3.351 4.031 ( -8.255 41.210 0.602) 42.033 4.448 ( 1.315 -2.701 -4.097) 5.080 4.590 ( 3.351 -15.025 -2.432) 15.585 4.807 ( -4.141 -8.822 1.789) 9.908 5.418 ( 2.373 3.639 0.827) 4.422 5.815 ( 4.924 -11.642 0.669) 12.658 6.203 ( -1.660 -12.192 -3.275) 12.733 6.466 ( 5.158 4.015 -5.029) 8.247 6.636 ( 1.614 -2.114 4.353) 5.101 6.786 ( -5.490 -7.823 1.038) 9.613 7.266 ( 0.647 -3.587 1.569) 3.968 7.979 ( -5.051 -11.782 2.020) 12.977 8.121 ( 2.815 -1.421 -4.318) 5.347 8.702 ( 6.510 8.362 0.623) 10.615 9.307 ( 0.620 0.681 1.331) 1.619 9.472 ( -5.781 -0.074 -1.382) 5.944 9.677 ( -3.207 -1.022 1.528) 3.697 10.442 ( -0.702 -9.143 1.823) 9.350 10.986 ( 8.376 7.747 -5.038) 12.472 11.550 ( 0.520 4.844 2.126) 5.315 11.813 ( 9.301 3.292 -1.653) 10.004 12.223 ( -5.704 -1.043 3.134) 6.592 12.384 ( -7.432 -6.575 1.781) 10.082 12.650 ( 1.908 0.353 -0.142) 1.946 13.267 ( 0.400 7.312 -4.111) 8.398 13.525 ( -8.137 4.179 -5.886) 10.877 14.453 ( 0.660 -6.830 -2.491) 7.300 15.190 ( 3.722 2.440 -0.177) 4.454 15.460 ( -1.563 1.238 0.630) 2.091 15.709 ( 0.853 -6.034 1.420) 6.257 16.503 ( -1.768 5.786 0.840) 6.108 16.970 ( 3.857 -5.903 6.912) 9.874 ======================= Grid point 41 (30/300) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -0.000 30.643 -0.000) 30.643 2.061 ( -0.000 32.800 -0.000) 32.800 3.329 ( -0.000 0.495 -0.000) 0.495 3.488 ( -0.000 52.762 -0.000) 52.762 3.994 ( 0.000 -2.837 0.000) 2.837 4.465 ( 0.000 -2.310 0.000) 2.310 4.789 ( 0.000 -16.881 0.000) 16.881 4.805 ( 0.000 -0.829 0.000) 0.829 5.423 ( 0.000 -1.247 0.000) 1.247 5.951 ( 0.000 -8.706 0.000) 8.706 6.356 ( 0.000 -19.866 0.000) 19.866 6.434 ( -0.000 7.760 -0.000) 7.760 6.752 ( 0.000 -6.380 0.000) 6.380 6.802 ( 0.000 -12.895 0.000) 12.895 7.301 ( 0.000 -1.576 0.000) 1.576 8.039 ( 0.000 -8.936 0.000) 8.936 8.149 ( 0.000 -2.384 0.000) 2.384 8.667 ( -0.000 10.310 -0.000) 10.310 9.337 ( -0.000 3.744 -0.000) 3.744 9.385 ( 0.000 -1.575 0.000) 1.575 9.668 ( 0.000 -2.479 0.000) 2.479 10.539 ( 0.000 -10.228 0.000) 10.228 10.970 ( -0.000 7.317 -0.000) 7.317 11.491 ( -0.000 5.953 -0.000) 5.953 11.914 ( -0.000 5.997 -0.000) 5.997 12.067 ( -0.000 2.840 -0.000) 2.840 12.402 ( -0.000 3.211 -0.000) 3.211 12.682 ( 0.000 -7.436 0.000) 7.436 13.265 ( 0.000 -3.427 0.000) 3.427 13.375 ( -0.000 6.072 -0.000) 6.072 14.500 ( 0.000 -3.444 0.000) 3.444 15.208 ( -0.000 0.297 -0.000) 0.297 15.434 ( -0.000 1.517 -0.000) 1.517 15.775 ( 0.000 -5.745 0.000) 5.745 16.432 ( -0.000 6.139 -0.000) 6.139 17.085 ( 0.000 -6.096 0.000) 6.096 ======================= Grid point 48 (31/300) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -6.902 0.000 -8.167) 10.693 3.284 ( 0.189 -0.000 0.440) 0.479 3.404 ( -8.069 0.000 -4.519) 9.249 3.869 ( -4.261 0.000 4.577) 6.254 4.046 ( 0.980 -0.000 -3.000) 3.156 4.452 ( 3.616 -0.000 7.008) 7.885 4.490 ( -0.157 0.000 -1.873) 1.879 4.748 ( 0.213 -0.000 -5.631) 5.635 4.776 ( 7.004 -0.000 -0.468) 7.020 6.156 ( -4.772 0.000 -2.278) 5.288 6.340 ( 5.413 -0.000 -0.025) 5.413 6.463 ( -7.143 0.000 -0.314) 7.150 6.576 ( -0.862 0.000 -6.372) 6.430 7.030 ( -8.427 0.000 3.414) 9.092 7.036 ( -0.463 0.000 10.029) 10.040 7.805 ( -7.376 0.000 -2.593) 7.819 7.993 ( 7.422 -0.000 -9.822) 12.311 8.413 ( 15.763 -0.000 5.940) 16.845 9.466 ( -5.838 0.000 -2.017) 6.176 9.554 ( -0.463 0.000 1.991) 2.045 9.795 ( -6.585 0.000 4.467) 7.957 10.339 ( -4.924 0.000 0.609) 4.962 10.758 ( 17.984 -0.000 -9.459) 20.320 11.172 ( 7.541 -0.000 -0.393) 7.551 11.951 ( -5.673 0.000 1.305) 5.822 12.291 ( 3.005 -0.000 -5.048) 5.875 12.434 ( -4.815 0.000 6.246) 7.887 12.604 ( -5.107 0.000 1.535) 5.333 13.772 ( 5.420 -0.000 -6.013) 8.095 13.977 ( -6.299 0.000 -9.556) 11.445 14.271 ( -5.784 0.000 -14.556) 15.663 15.175 ( 9.774 -0.000 3.244) 10.298 15.289 ( 1.387 -0.000 3.665) 3.918 15.624 ( -4.504 0.000 7.161) 8.459 16.585 ( 0.695 -0.000 7.299) 7.332 16.707 ( -0.349 0.000 2.393) 2.418 ======================= Grid point 50 (32/300) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( -9.957 17.092 -6.982) 20.977 3.200 ( -6.736 12.781 -4.503) 15.133 3.303 ( -3.182 -7.278 -1.068) 8.015 3.846 ( -0.261 -0.588 3.195) 3.259 4.098 ( 0.963 -10.137 -3.055) 10.631 4.474 ( 0.014 -0.335 -4.105) 4.119 4.556 ( 1.850 -2.883 4.301) 5.498 4.734 ( 4.077 6.434 -1.520) 7.767 5.020 ( 13.173 -12.220 1.615) 18.041 5.992 ( -5.742 13.324 -0.735) 14.527 6.251 ( -9.150 -0.069 -8.531) 12.510 6.433 ( -0.598 -3.509 -3.679) 5.119 6.574 ( -1.133 -1.108 7.649) 7.812 6.867 ( -4.718 6.873 0.035) 8.336 7.101 ( -1.186 -5.566 4.955) 7.546 7.725 ( -6.201 -8.244 -0.789) 10.346 8.063 ( 6.228 -0.091 -6.422) 8.947 8.676 ( 13.431 2.010 3.144) 13.940 9.348 ( -6.208 -0.427 -2.412) 6.674 9.548 ( -1.413 0.584 1.208) 1.949 9.726 ( -4.471 0.260 3.484) 5.674 10.280 ( -4.474 -3.395 1.178) 5.738 10.994 ( 16.923 3.058 -7.473) 18.750 11.369 ( 14.567 -2.970 -0.962) 14.898 11.856 ( -5.887 1.731 3.190) 6.916 12.288 ( -0.351 3.175 -1.139) 3.391 12.411 ( -3.207 -0.071 4.008) 5.134 12.517 ( -7.052 -6.201 0.997) 9.443 13.710 ( -2.854 9.068 -5.271) 10.870 13.808 ( -6.356 5.092 -10.079) 12.958 14.185 ( -0.863 -10.302 -9.110) 13.779 15.258 ( 5.560 7.298 0.516) 9.189 15.399 ( 4.263 -6.933 -1.247) 8.234 15.590 ( -4.819 -0.246 8.685) 9.935 16.629 ( -0.286 1.181 5.413) 5.548 16.745 ( 2.504 -1.362 4.956) 5.717 ======================= Grid point 51 (33/300) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -6.454 24.379 -4.680) 25.649 2.913 ( -4.700 21.651 -2.801) 22.332 3.312 ( -2.314 -5.109 -0.634) 5.645 3.885 ( 1.070 -2.157 1.402) 2.786 4.235 ( 1.921 -16.487 -2.342) 16.763 4.455 ( -0.142 -0.807 -3.197) 3.300 4.606 ( 0.081 3.973 3.007) 4.983 4.680 ( 0.081 10.303 -0.465) 10.314 5.376 ( 12.886 -9.584 1.741) 16.153 5.761 ( -5.603 8.706 -0.209) 10.356 6.072 ( -8.261 -3.020 -3.996) 9.661 6.455 ( 4.064 -2.639 -7.098) 8.595 6.603 ( -5.427 -5.829 9.382) 12.306 6.763 ( -0.250 6.939 -1.693) 7.147 7.167 ( -0.100 -6.440 1.714) 6.664 7.737 ( -4.219 -12.080 0.542) 12.807 8.113 ( 3.239 0.235 -3.572) 4.827 8.828 ( 7.202 4.808 1.022) 8.720 9.278 ( -2.309 -3.044 -1.476) 4.096 9.500 ( -3.201 2.911 1.147) 4.476 9.683 ( -1.853 0.856 1.245) 2.391 10.280 ( -2.412 -7.252 1.085) 7.719 11.134 ( 9.927 7.366 -4.652) 13.208 11.627 ( 10.708 1.641 0.120) 10.834 11.807 ( 2.593 -2.447 1.103) 3.732 12.240 ( -0.805 3.827 1.151) 4.076 12.282 ( -14.040 -3.340 2.609) 14.666 12.575 ( 2.368 -7.223 0.524) 7.619 13.524 ( -1.800 14.758 -2.831) 15.134 13.583 ( -7.709 4.153 -7.495) 11.526 14.271 ( 0.967 -12.026 -3.773) 12.641 15.271 ( 3.415 5.699 -0.052) 6.644 15.469 ( 0.746 -0.760 -2.017) 2.281 15.599 ( -1.421 -4.950 5.139) 7.276 16.606 ( -0.835 5.053 2.095) 5.533 16.859 ( 2.786 -5.553 4.853) 7.884 ======================= Grid point 52 (34/300) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -0.000 28.466 -0.000) 28.466 2.632 ( -0.000 26.953 -0.000) 26.953 3.322 ( 0.000 -1.953 0.000) 1.953 3.927 ( 0.000 -3.646 0.000) 3.646 4.363 ( -0.000 37.820 -0.000) 37.820 4.403 ( 0.000 -11.327 0.000) 11.327 4.472 ( 0.000 -8.860 0.000) 8.860 4.697 ( 0.000 -7.832 0.000) 7.832 5.485 ( -0.000 5.158 -0.000) 5.158 5.768 ( 0.000 -10.105 0.000) 10.105 6.044 ( 0.000 -10.321 0.000) 10.321 6.512 ( 0.000 -2.344 0.000) 2.344 6.635 ( 0.000 -6.841 0.000) 6.841 6.696 ( -0.000 4.387 -0.000) 4.387 7.231 ( 0.000 -5.676 0.000) 5.676 7.822 ( 0.000 -12.977 0.000) 12.977 8.127 ( 0.000 -0.055 0.000) 0.055 8.832 ( -0.000 7.048 -0.000) 7.048 9.308 ( 0.000 -5.505 0.000) 5.505 9.424 ( -0.000 5.216 -0.000) 5.216 9.662 ( -0.000 0.974 -0.000) 0.974 10.346 ( 0.000 -9.634 0.000) 9.634 11.124 ( -0.000 8.678 -0.000) 8.678 11.623 ( -0.000 7.426 -0.000) 7.426 11.989 ( 0.000 -1.296 0.000) 1.296 12.090 ( 0.000 -0.370 0.000) 0.370 12.260 ( 0.000 -6.362 0.000) 6.362 12.658 ( 0.000 -3.719 0.000) 3.719 13.365 ( -0.000 14.058 -0.000) 14.058 13.454 ( -0.000 2.381 -0.000) 2.381 14.374 ( 0.000 -9.769 0.000) 9.769 15.254 ( -0.000 4.295 -0.000) 4.295 15.459 ( -0.000 1.063 -0.000) 1.063 15.661 ( 0.000 -6.203 0.000) 6.203 16.549 ( -0.000 6.127 -0.000) 6.127 16.961 ( 0.000 -6.789 0.000) 6.789 ======================= Grid point 61 (35/300) ======================= q-point: (-0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -6.394 0.000 -4.347) 7.732 3.150 ( -4.617 0.000 -2.217) 5.122 3.213 ( -1.822 0.000 -0.909) 2.036 3.872 ( 1.812 -0.000 1.445) 2.318 4.035 ( -0.184 0.000 -1.589) 1.600 4.450 ( -0.058 0.000 -3.430) 3.430 4.555 ( -0.730 0.000 1.189) 1.395 4.860 ( 4.451 -0.000 0.294) 4.461 5.247 ( 19.286 -0.000 3.566) 19.613 5.958 ( -18.789 0.000 -4.322) 19.280 5.996 ( -2.796 0.000 -0.905) 2.939 6.416 ( 4.316 -0.000 -8.312) 9.366 6.537 ( -7.600 0.000 10.264) 12.772 6.867 ( 0.772 -0.000 -2.292) 2.419 7.075 ( -1.106 0.000 3.251) 3.434 7.604 ( -3.187 0.000 -0.594) 3.242 8.117 ( 3.423 -0.000 -3.152) 4.653 8.876 ( 7.752 -0.000 1.328) 7.864 9.241 ( -4.024 0.000 -2.004) 4.495 9.537 ( -1.310 0.000 0.724) 1.497 9.693 ( -1.864 0.000 1.772) 2.572 10.203 ( -3.020 0.000 0.868) 3.143 11.220 ( 11.426 -0.000 -4.893) 12.429 11.613 ( 17.163 -0.000 -1.300) 17.212 11.793 ( -4.592 0.000 3.622) 5.848 12.246 ( -14.983 0.000 4.151) 15.548 12.319 ( -0.341 0.000 -3.636) 3.652 12.467 ( 3.119 -0.000 2.727) 4.143 13.581 ( -9.351 0.000 -4.004) 10.172 13.782 ( -0.649 0.000 -5.096) 5.137 14.085 ( 1.178 -0.000 -5.094) 5.228 15.362 ( 0.944 -0.000 1.194) 1.522 15.428 ( 6.874 -0.000 -6.310) 9.331 15.552 ( -5.231 0.000 8.644) 10.103 16.671 ( 0.318 -0.000 3.803) 3.816 16.789 ( 1.596 -0.000 2.812) 3.234 ======================= Grid point 63 (36/300) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -0.000 17.065 -0.000) 17.065 3.036 ( -0.000 13.494 -0.000) 13.494 3.234 ( 0.000 -6.431 0.000) 6.431 3.889 ( -0.000 0.214 -0.000) 0.214 4.097 ( 0.000 -12.907 0.000) 12.907 4.440 ( 0.000 -0.212 0.000) 0.212 4.567 ( 0.000 -3.686 0.000) 3.686 4.848 ( -0.000 11.300 -0.000) 11.300 5.588 ( -0.000 5.512 -0.000) 5.512 5.612 ( 0.000 -5.007 0.000) 5.007 5.969 ( 0.000 -0.140 0.000) 0.140 6.455 ( 0.000 -1.841 0.000) 1.841 6.508 ( 0.000 -5.130 0.000) 5.130 6.834 ( -0.000 6.831 -0.000) 6.831 7.108 ( 0.000 -6.014 0.000) 6.014 7.611 ( 0.000 -7.154 0.000) 7.154 8.134 ( -0.000 0.447 -0.000) 0.447 8.930 ( -0.000 3.028 -0.000) 3.028 9.217 ( 0.000 -3.137 0.000) 3.137 9.511 ( -0.000 3.032 -0.000) 3.032 9.680 ( -0.000 0.627 -0.000) 0.627 10.202 ( 0.000 -4.565 0.000) 4.565 11.274 ( -0.000 5.756 -0.000) 5.756 11.743 ( -0.000 4.196 -0.000) 4.196 11.856 ( 0.000 -7.173 0.000) 7.173 12.065 ( 0.000 -1.494 0.000) 1.494 12.287 ( -0.000 4.563 -0.000) 4.563 12.543 ( 0.000 -5.885 0.000) 5.885 13.477 ( -0.000 0.377 -0.000) 0.377 13.678 ( -0.000 15.079 -0.000) 15.079 14.152 ( 0.000 -11.805 0.000) 11.805 15.348 ( -0.000 4.537 -0.000) 4.537 15.473 ( -0.000 0.385 -0.000) 0.385 15.551 ( 0.000 -4.727 0.000) 4.727 16.658 ( -0.000 4.823 -0.000) 4.823 16.841 ( 0.000 -5.225 0.000) 5.225 ======================= Grid point 125 (37/300) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -1.221 0.000 27.386) 27.413 0.605 ( 7.206 -0.000 28.947) 29.830 1.115 ( 3.282 -0.000 53.593) 53.694 3.316 ( -6.418 0.000 -2.080) 6.747 4.019 ( -1.891 0.000 -0.667) 2.005 4.287 ( 1.957 -0.000 -2.631) 3.279 4.970 ( -2.845 0.000 2.953) 4.100 5.275 ( 4.273 -0.000 -3.093) 5.275 5.786 ( 2.361 -0.000 -3.505) 4.226 6.124 ( 3.574 -0.000 -3.983) 5.351 6.359 ( -2.697 0.000 9.297) 9.681 6.582 ( -5.737 0.000 1.375) 5.900 7.247 ( -2.316 0.000 -9.998) 10.263 7.753 ( -5.807 0.000 0.927) 5.881 7.790 ( -0.754 0.000 -1.446) 1.631 7.889 ( -5.880 0.000 0.776) 5.931 7.923 ( -0.908 0.000 -0.582) 1.078 8.796 ( 10.152 -0.000 -6.935) 12.295 9.263 ( 0.182 -0.000 0.204) 0.273 9.336 ( -5.915 0.000 6.181) 8.556 10.159 ( 50.147 -0.000 -3.929) 50.301 10.185 ( -0.560 0.000 -0.186) 0.590 10.658 ( -7.850 0.000 -10.014) 12.724 11.102 ( -38.792 0.000 9.562) 39.953 11.640 ( 2.706 -0.000 2.407) 3.621 11.761 ( -0.545 0.000 -3.634) 3.674 11.917 ( 17.438 -0.000 1.651) 17.516 11.938 ( -3.958 0.000 -0.236) 3.965 13.451 ( -2.841 0.000 2.754) 3.957 13.485 ( -0.632 0.000 -2.060) 2.155 14.389 ( 0.450 -0.000 1.287) 1.364 15.332 ( -1.960 0.000 -0.530) 2.030 15.348 ( 2.020 -0.000 -1.423) 2.471 15.995 ( -0.213 0.000 2.630) 2.638 16.206 ( -0.371 0.000 0.675) 0.770 17.020 ( 2.118 -0.000 -0.960) 2.325 ======================= Grid point 126 (38/300) ======================= q-point: ( 0.09 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 18.771 -16.993 19.716) 32.091 1.269 ( 25.052 -11.593 27.440) 38.922 1.693 ( 30.922 -14.567 36.408) 49.939 3.393 ( 12.961 1.388 -5.650) 14.207 3.964 ( -4.480 -1.003 -1.642) 4.876 4.334 ( 2.313 -5.022 -3.358) 6.469 4.884 ( -4.859 3.039 13.199) 14.390 5.256 ( -3.070 3.458 -1.220) 4.783 5.786 ( 2.047 6.752 -3.127) 7.717 6.081 ( -6.904 -4.099 -1.974) 8.268 6.372 ( -0.521 2.752 9.647) 10.046 6.552 ( -0.018 -2.243 -0.970) 2.444 7.169 ( -2.121 0.690 -4.316) 4.858 7.452 ( -15.063 14.382 -2.136) 20.936 7.541 ( -10.620 9.494 -1.036) 14.283 7.929 ( -0.575 -9.523 -2.348) 9.825 8.101 ( 8.644 -4.536 -2.275) 10.023 8.561 ( -7.205 9.275 3.688) 12.310 9.272 ( -0.093 -0.656 0.454) 0.804 9.322 ( -1.061 -3.233 3.609) 4.960 10.057 ( 1.789 12.165 -0.630) 12.312 10.366 ( -9.305 -16.099 -5.461) 19.379 10.876 ( -9.731 -0.954 6.443) 11.710 11.301 ( 30.659 -5.052 -18.282) 36.052 11.696 ( 6.234 7.744 -0.388) 9.949 11.743 ( 0.093 -5.684 0.446) 5.702 12.047 ( 8.774 -13.999 -3.742) 16.940 12.465 ( 33.030 -12.908 -15.085) 38.538 13.320 ( -11.921 7.622 -0.487) 14.158 13.483 ( 0.696 -3.589 2.341) 4.341 14.455 ( 3.912 -2.664 0.952) 4.827 15.269 ( -3.182 2.003 -2.113) 4.313 15.362 ( -0.220 -0.583 -0.124) 0.636 16.003 ( -1.303 0.739 3.382) 3.699 16.227 ( 1.504 -1.907 0.599) 2.501 17.017 ( 1.136 4.119 -7.062) 8.254 ======================= Grid point 127 (39/300) ======================= q-point: ( 0.18 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 23.482 -16.899 14.189) 32.223 1.821 ( 14.459 -7.573 32.196) 36.097 2.690 ( 44.770 -22.899 16.313) 52.866 3.567 ( 14.705 4.241 -5.566) 16.286 3.874 ( -6.249 -0.780 -1.650) 6.510 4.422 ( 3.325 -8.786 -4.016) 10.216 4.891 ( -2.593 2.319 12.961) 13.419 5.119 ( -7.330 4.051 0.026) 8.375 5.637 ( -6.338 13.105 -2.377) 14.750 6.029 ( -4.541 -7.493 -2.407) 9.086 6.385 ( -0.819 5.701 8.029) 9.881 6.562 ( -2.027 -1.306 1.932) 3.090 7.016 ( -12.604 11.139 -0.594) 16.831 7.103 ( -7.980 3.197 -5.532) 10.223 7.320 ( -3.584 8.226 -6.168) 10.888 7.949 ( -3.348 -6.582 -7.837) 10.768 8.229 ( 5.732 -1.604 -2.467) 6.444 8.447 ( -5.643 2.589 7.219) 9.521 9.289 ( 2.198 0.101 -0.554) 2.269 9.385 ( 1.155 -5.412 2.460) 6.056 9.960 ( -0.593 6.480 -4.983) 8.195 10.382 ( -0.358 -7.274 -2.641) 7.747 10.768 ( -9.452 -1.737 6.186) 11.429 11.529 ( 7.938 -0.637 -3.528) 8.710 11.730 ( 11.991 12.551 -2.293) 17.509 11.868 ( 1.371 -14.815 -1.604) 14.965 12.358 ( 14.534 -11.951 -3.533) 19.145 12.882 ( 10.643 -3.318 -8.323) 13.912 13.004 ( -9.363 5.235 -2.683) 11.057 13.569 ( 2.396 -5.198 5.532) 7.960 14.538 ( 2.229 -2.337 0.021) 3.229 15.168 ( -4.227 3.199 -2.924) 6.054 15.360 ( -0.979 -1.392 0.164) 1.710 15.967 ( -3.886 2.406 4.125) 6.157 16.294 ( 2.890 -3.435 0.791) 4.558 16.916 ( 0.808 8.571 -10.604) 13.659 ======================= Grid point 128 (40/300) ======================= q-point: ( 0.27 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 21.847 -14.978 11.346) 28.816 2.292 ( 14.696 -8.019 25.302) 30.340 3.626 ( 24.018 -9.753 3.482) 26.156 3.717 ( 15.753 2.333 -3.378) 16.279 3.805 ( 6.158 -6.698 1.692) 9.255 4.558 ( 3.751 -9.476 -2.003) 10.387 4.799 ( -9.422 4.968 2.932) 11.047 5.025 ( -6.083 -2.139 5.369) 8.391 5.369 ( -6.530 14.494 -0.741) 15.914 5.991 ( -7.103 -2.462 0.304) 7.524 6.284 ( -5.056 6.474 -0.770) 8.250 6.492 ( -9.485 4.338 2.845) 10.811 6.758 ( -3.392 7.280 5.334) 9.642 7.014 ( 0.235 -1.000 -5.317) 5.415 7.159 ( -3.602 5.501 -9.056) 11.191 7.869 ( -5.369 -3.612 -10.250) 12.121 8.276 ( -1.634 0.648 -2.337) 2.925 8.394 ( -2.977 0.320 9.988) 10.427 9.340 ( 4.194 -1.095 -1.395) 4.554 9.478 ( 2.869 -4.537 0.869) 5.438 9.881 ( 1.556 3.525 -7.209) 8.174 10.427 ( 1.111 -1.698 -1.451) 2.494 10.674 ( -9.758 -4.049 7.449) 12.927 11.626 ( 5.263 -0.817 -0.240) 5.332 11.821 ( 12.084 8.830 -1.449) 15.036 12.012 ( 0.756 -13.938 -3.081) 14.294 12.492 ( -12.830 7.572 -1.352) 14.959 12.729 ( 7.304 -0.779 -1.849) 7.574 13.185 ( 9.429 -10.937 -1.443) 14.512 13.727 ( 5.762 -6.077 5.940) 10.267 14.555 ( -1.801 -0.467 -1.209) 2.219 15.047 ( -4.130 4.000 -2.438) 6.245 15.366 ( -0.495 -2.910 -0.119) 2.954 15.881 ( -5.420 4.169 3.894) 7.869 16.387 ( 3.246 -3.786 1.053) 5.097 16.783 ( 1.733 9.519 -11.712) 15.192 ======================= Grid point 129 (41/300) ======================= q-point: ( 0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 8.893 -7.065 15.750) 19.418 2.781 ( 19.356 -10.815 8.801) 23.855 3.603 ( -4.064 2.166 -0.528) 4.635 3.820 ( 7.762 5.285 -4.989) 10.633 4.401 ( 13.293 -7.451 1.012) 15.273 4.579 ( 3.707 -1.825 1.682) 4.461 4.738 ( -2.039 -4.351 2.420) 5.380 4.891 ( -10.509 -4.304 -3.710) 11.947 5.242 ( 3.184 10.195 3.593) 11.269 5.846 ( -9.555 1.199 2.625) 9.982 6.128 ( -6.312 7.446 -2.982) 10.207 6.325 ( -1.885 2.066 -1.965) 3.418 6.734 ( -1.761 4.333 1.836) 5.025 6.995 ( -0.593 0.629 -6.993) 7.046 7.056 ( 0.174 -0.574 1.530) 1.643 7.749 ( -3.958 -1.274 -11.204) 11.951 8.150 ( -8.722 2.804 1.475) 9.280 8.448 ( 0.855 -1.204 8.160) 8.293 9.424 ( 4.291 -2.768 -1.054) 5.214 9.558 ( 3.608 -1.075 -2.147) 4.334 9.880 ( 5.637 0.351 -6.778) 8.823 10.414 ( -2.941 0.709 0.836) 3.139 10.625 ( -6.711 -5.306 7.207) 11.186 11.718 ( 6.080 1.100 -0.468) 6.196 11.909 ( 4.938 4.078 0.306) 6.411 12.058 ( -11.613 -4.227 -1.002) 12.399 12.222 ( 0.499 1.091 -3.955) 4.133 12.832 ( 2.976 2.556 2.200) 4.498 13.455 ( 8.074 -13.300 1.545) 15.636 13.907 ( 5.864 -5.568 2.582) 8.489 14.466 ( -6.581 2.346 -2.527) 7.429 14.950 ( -1.872 3.385 -0.777) 3.945 15.403 ( 1.063 -4.428 -0.324) 4.565 15.763 ( -5.257 6.005 3.116) 8.568 16.467 ( 2.649 -1.270 -0.629) 3.004 16.688 ( 3.279 5.494 -8.194) 10.397 ======================= Grid point 130 (42/300) ======================= q-point: ( 0.45 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -4.113 0.780 5.562) 6.961 3.150 ( 9.599 -4.948 3.268) 11.283 3.539 ( -2.901 1.419 2.560) 4.121 3.831 ( 2.613 3.314 -3.243) 5.323 4.369 ( 0.092 0.154 -1.344) 1.356 4.565 ( -11.316 1.765 0.507) 11.464 4.834 ( 4.939 -4.667 -3.110) 7.473 4.938 ( 3.682 -3.638 2.006) 5.551 5.224 ( 0.606 3.589 -0.269) 3.650 5.742 ( -3.368 1.153 -1.370) 3.814 5.964 ( -2.188 5.193 -1.841) 5.928 6.341 ( 3.488 0.871 -0.512) 3.631 6.570 ( -6.720 4.240 -11.640) 14.093 7.021 ( 1.516 -2.959 6.507) 7.308 7.098 ( 2.365 -0.192 1.841) 3.003 7.668 ( 1.409 -0.750 -10.989) 11.104 8.011 ( -6.246 0.920 2.777) 6.897 8.517 ( 0.126 -1.086 8.914) 8.981 9.496 ( 1.354 -1.855 -0.534) 2.358 9.594 ( 3.629 1.580 -4.100) 5.700 9.969 ( 8.589 -0.827 -5.775) 10.383 10.353 ( -6.333 -2.405 4.233) 7.988 10.616 ( -4.204 -2.678 5.553) 7.462 11.753 ( 1.773 9.461 0.429) 9.635 11.852 ( -8.368 -12.118 -0.824) 14.749 11.953 ( 1.920 6.174 -2.061) 6.786 12.341 ( 7.417 -6.989 -2.624) 10.524 12.819 ( -3.361 4.282 7.489) 9.258 13.648 ( 2.679 -6.410 -1.755) 7.165 14.027 ( -0.838 -4.957 -1.421) 5.224 14.305 ( -4.651 2.617 -1.888) 5.661 14.915 ( 0.673 1.913 0.066) 2.030 15.483 ( 3.101 -5.298 -0.181) 6.141 15.642 ( -3.603 7.224 2.680) 8.506 16.478 ( 2.520 3.538 -4.181) 6.028 16.710 ( 3.876 -1.902 -0.860) 4.403 ======================= Grid point 131 (43/300) ======================= q-point: (-0.45 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -16.093 8.299 -1.644) 18.181 3.062 ( -16.832 9.444 -1.806) 19.385 3.577 ( 4.260 -2.149 3.919) 6.174 3.871 ( 4.133 -3.678 -1.778) 5.811 4.417 ( -6.979 -2.332 -1.575) 7.525 4.463 ( 8.012 -2.451 -1.532) 8.517 4.839 ( -7.795 7.571 -0.643) 10.886 4.948 ( 0.448 -2.673 -0.006) 2.710 5.151 ( -4.044 6.735 -2.577) 8.268 5.693 ( 3.618 2.658 -1.587) 4.762 5.974 ( 3.897 -5.809 -1.751) 7.211 6.273 ( -3.370 5.549 -12.731) 14.290 6.476 ( 1.826 -1.605 -0.478) 2.478 7.107 ( 1.793 -0.599 2.473) 3.113 7.178 ( 3.974 -3.359 4.810) 7.086 7.685 ( 6.168 -1.068 -9.820) 11.645 7.988 ( 0.515 -2.411 3.666) 4.418 8.571 ( -1.172 -0.845 9.799) 9.905 9.488 ( -0.614 2.655 -1.336) 3.035 9.590 ( -0.177 2.060 -3.404) 3.983 10.091 ( 8.245 -0.560 -4.339) 9.334 10.323 ( -4.958 -5.513 6.494) 9.856 10.585 ( -4.561 -0.195 3.767) 5.919 11.733 ( -1.870 -6.533 0.020) 6.795 11.842 ( 5.273 10.792 -1.611) 12.119 11.929 ( -2.524 -8.534 -3.678) 9.629 12.512 ( 4.997 -4.547 2.036) 7.057 12.748 ( -4.973 2.692 8.068) 9.853 13.647 ( -2.216 1.267 -5.182) 5.777 13.845 ( -15.170 4.721 -4.163) 16.424 14.362 ( 5.575 -5.790 0.450) 8.051 14.928 ( 2.344 -0.027 -1.411) 2.736 15.545 ( -2.016 6.081 2.750) 6.971 15.596 ( 4.657 -4.155 0.402) 6.254 16.456 ( 1.892 4.410 -2.824) 5.568 16.812 ( 4.178 -4.544 1.262) 6.301 ======================= Grid point 132 (44/300) ======================= q-point: (-0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -23.238 12.362 -2.903) 26.481 2.566 ( -26.072 13.898 -2.607) 29.660 3.690 ( 4.685 -2.070 3.076) 5.975 3.950 ( -2.946 -6.402 -0.070) 7.047 4.310 ( -27.909 15.652 -4.129) 32.263 4.375 ( -3.374 -0.642 -3.146) 4.658 4.590 ( 3.822 0.911 -3.586) 5.319 4.986 ( -0.925 12.124 -0.829) 12.188 5.111 ( 10.677 -7.104 -0.920) 12.858 5.829 ( 10.257 -4.188 2.561) 11.371 6.081 ( 0.293 2.163 -12.459) 12.649 6.181 ( 7.717 -7.510 -2.950) 11.165 6.557 ( 4.168 -4.662 0.924) 6.321 7.130 ( 1.033 2.425 2.141) 3.396 7.301 ( 2.697 -5.381 1.714) 6.259 7.763 ( 8.376 -1.233 -8.453) 11.964 8.090 ( 4.862 -3.236 2.978) 6.556 8.597 ( -3.526 -0.167 9.868) 10.480 9.433 ( -1.027 4.078 -0.945) 4.310 9.507 ( -3.197 4.438 -3.320) 6.398 10.162 ( -0.678 -2.045 1.815) 2.817 10.398 ( 4.162 -5.631 3.502) 7.829 10.522 ( -4.203 0.896 1.488) 4.548 11.676 ( -7.647 -1.937 -1.761) 8.083 11.874 ( 4.879 4.814 -3.401) 7.651 12.023 ( 5.105 -10.010 -2.053) 11.423 12.513 ( -6.161 2.317 8.346) 10.629 12.794 ( 2.831 -4.661 2.707) 6.088 13.503 ( -10.650 4.947 -12.415) 17.089 13.535 ( -7.956 6.528 4.041) 11.057 14.495 ( 3.389 -4.402 0.494) 5.578 14.979 ( 4.067 -2.827 -3.407) 6.012 15.485 ( -0.893 5.393 3.311) 6.391 15.714 ( 4.574 -3.847 0.483) 5.996 16.420 ( -0.005 4.658 -0.802) 4.727 16.937 ( 4.898 -4.699 0.405) 6.800 ======================= Grid point 133 (45/300) ======================= q-point: (-0.27 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -25.953 13.944 1.051) 29.480 1.961 ( -29.400 14.759 -0.990) 32.912 3.419 ( -42.747 28.050 -1.935) 51.165 3.799 ( 0.504 -5.040 3.129) 5.954 3.922 ( -7.833 -3.358 1.504) 8.654 4.431 ( 4.917 -4.235 -7.344) 9.800 4.585 ( 1.291 5.986 -3.143) 6.883 4.901 ( 3.879 5.464 -1.714) 6.916 5.393 ( 13.599 -7.823 -0.305) 15.692 5.969 ( 1.117 4.405 -10.946) 11.852 6.083 ( 9.051 -7.586 3.792) 12.404 6.418 ( 10.407 -7.395 -0.726) 12.788 6.731 ( 9.287 -8.981 0.171) 12.921 7.130 ( 1.079 2.751 2.205) 3.687 7.385 ( 1.437 -5.609 -0.740) 5.837 7.886 ( 9.880 -2.427 -7.483) 12.630 8.194 ( 2.812 -0.935 1.927) 3.535 8.554 ( -7.400 1.821 8.185) 11.183 9.364 ( -0.799 6.667 -1.409) 6.861 9.409 ( -2.423 1.525 -0.882) 2.996 10.149 ( -5.801 -3.168 5.207) 8.414 10.451 ( -2.664 2.646 -0.588) 3.800 10.566 ( 7.530 -5.027 1.072) 9.117 11.568 ( -4.474 0.244 -2.006) 4.909 11.847 ( -0.905 2.515 -4.211) 4.988 12.054 ( -8.731 -0.017 1.413) 8.844 12.583 ( 4.884 -7.794 2.912) 9.648 12.789 ( -4.823 1.753 0.318) 5.142 13.290 ( -1.286 5.380 -12.328) 13.512 13.418 ( -4.143 0.106 8.866) 9.786 14.549 ( -0.233 -0.876 0.390) 0.987 15.074 ( 5.324 -5.055 -4.180) 8.448 15.445 ( -0.780 4.085 2.956) 5.102 15.821 ( 3.884 -3.044 1.077) 5.051 16.360 ( -1.757 4.470 0.351) 4.816 17.052 ( 5.177 -2.786 -2.563) 6.413 ======================= Grid point 134 (46/300) ======================= q-point: (-0.18 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -23.282 13.390 14.175) 30.369 1.335 ( -30.863 13.822 3.571) 34.005 2.375 ( -48.246 33.291 2.740) 58.682 3.732 ( -14.423 -9.378 -0.948) 17.230 3.948 ( 4.780 0.340 2.118) 5.239 4.435 ( 0.992 7.076 -8.047) 10.761 4.569 ( 3.290 0.204 5.063) 6.041 4.996 ( 9.890 -2.071 -3.812) 10.799 5.658 ( 8.736 -8.819 -2.552) 12.673 5.916 ( 5.778 5.373 -8.070) 11.287 6.274 ( 2.360 -5.452 6.674) 8.935 6.616 ( 6.078 -3.413 1.143) 7.064 6.992 ( 10.562 -7.138 -2.456) 12.982 7.193 ( 8.310 -4.021 1.189) 9.308 7.470 ( 2.519 -7.442 -0.048) 7.857 8.036 ( 9.902 -2.670 -6.417) 12.098 8.202 ( -2.747 2.200 1.717) 3.916 8.407 ( -11.040 4.929 4.850) 13.026 9.292 ( 0.588 5.564 -1.224) 5.727 9.377 ( -2.157 -0.398 2.616) 3.414 10.094 ( -8.356 -3.878 4.401) 10.209 10.382 ( 0.439 6.433 -1.870) 6.714 10.727 ( 6.293 -3.830 -0.757) 7.405 11.520 ( 0.305 0.120 -1.036) 1.086 11.751 ( -0.096 10.091 -4.310) 10.973 11.894 ( -14.441 -9.036 2.057) 17.159 12.413 ( -15.645 7.156 -1.781) 17.296 12.976 ( 10.203 -5.731 -4.832) 12.661 13.128 ( 0.620 4.266 -10.060) 10.945 13.506 ( 1.249 -6.494 7.313) 9.860 14.515 ( -3.244 1.817 0.348) 3.734 15.189 ( 5.147 -5.242 -3.735) 8.241 15.410 ( -1.163 2.984 1.723) 3.636 15.911 ( 2.852 -2.309 2.404) 4.387 16.289 ( -2.457 3.534 0.770) 4.372 17.115 ( 4.468 0.977 -7.716) 8.969 ======================= Grid point 135 (47/300) ======================= q-point: (-0.09 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -26.487 9.754 15.505) 32.204 0.838 ( -14.418 10.430 33.487) 37.922 1.310 ( -44.935 32.654 16.338) 57.900 3.557 ( -15.304 -7.856 -6.968) 18.561 4.018 ( 2.164 0.217 1.467) 2.623 4.328 ( 0.715 7.602 -5.729) 9.546 4.743 ( 10.028 -5.718 11.861) 16.551 5.165 ( 9.420 -2.750 -4.249) 10.694 5.768 ( 1.299 -3.919 -5.128) 6.584 6.005 ( 11.761 1.370 -4.218) 12.569 6.347 ( -2.353 -2.148 8.313) 8.902 6.661 ( -2.898 0.966 3.091) 4.345 7.176 ( 10.648 -5.437 -6.800) 13.755 7.499 ( 15.004 -12.384 0.486) 19.461 7.630 ( 5.694 -10.998 2.321) 12.600 8.079 ( -8.829 5.706 2.973) 10.925 8.164 ( -10.765 6.440 0.648) 12.561 8.218 ( 11.955 -2.584 3.356) 12.683 9.262 ( 0.781 2.383 -0.385) 2.537 9.363 ( -3.037 -0.169 5.741) 6.497 10.001 ( -9.137 -3.434 1.710) 9.910 10.318 ( 5.316 15.569 -2.750) 16.679 10.810 ( 2.016 -1.284 -5.593) 6.082 11.566 ( 4.382 -0.740 0.734) 4.505 11.650 ( 1.305 8.125 -1.649) 8.393 11.786 ( -13.173 -14.837 -2.061) 19.948 12.092 ( -13.994 5.337 -2.201) 15.138 12.619 ( -26.528 22.273 -39.012) 52.171 13.349 ( 9.820 -9.105 -0.054) 13.392 13.551 ( -4.084 -0.829 -1.824) 4.549 14.432 ( -3.859 2.528 0.806) 4.683 15.288 ( 3.550 -3.944 -2.627) 5.921 15.371 ( -1.194 2.232 0.370) 2.558 15.978 ( 0.984 -1.128 2.993) 3.346 16.230 ( -1.941 1.851 0.812) 2.802 17.074 ( 0.678 5.369 -10.740) 12.026 ======================= Grid point 137 (48/300) ======================= q-point: ( 0.09 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 27.972 -0.000 14.963) 31.722 1.745 ( 16.882 -0.000 33.002) 37.069 2.468 ( 48.520 -0.000 21.268) 52.977 3.618 ( 17.103 -0.000 -7.652) 18.737 3.864 ( -5.844 0.000 -2.037) 6.189 4.327 ( 2.174 -0.000 -3.434) 4.064 4.916 ( -2.422 0.000 14.221) 14.426 5.158 ( -10.113 0.000 0.233) 10.115 5.853 ( -14.002 0.000 -0.587) 14.015 5.866 ( 3.711 -0.000 -4.229) 5.626 6.444 ( -0.284 0.000 11.505) 11.508 6.543 ( -0.392 0.000 -2.021) 2.059 7.088 ( -5.591 0.000 -2.901) 6.299 7.181 ( -20.263 0.000 -1.949) 20.357 7.405 ( -8.072 0.000 -5.803) 9.941 7.884 ( 1.839 -0.000 -8.493) 8.690 8.204 ( 6.463 -0.000 -3.101) 7.169 8.480 ( -8.485 0.000 7.049) 11.031 9.255 ( -0.076 0.000 0.808) 0.811 9.358 ( 3.640 -0.000 1.538) 3.952 10.045 ( -5.351 0.000 -6.142) 8.146 10.273 ( 5.313 -0.000 -0.556) 5.342 10.756 ( -8.701 0.000 4.776) 9.926 11.564 ( 13.228 -0.000 -6.384) 14.688 11.671 ( -0.712 0.000 0.410) 0.821 12.018 ( 6.014 -0.000 1.168) 6.127 12.056 ( 21.062 -0.000 -9.029) 22.915 12.833 ( 23.488 -0.000 -11.473) 26.140 13.091 ( -17.785 0.000 -2.188) 17.919 13.515 ( 2.186 -0.000 7.199) 7.524 14.512 ( 3.411 -0.000 -0.225) 3.418 15.201 ( -4.201 0.000 -2.745) 5.018 15.346 ( -1.593 0.000 0.525) 1.677 15.988 ( -3.591 0.000 3.811) 5.236 16.260 ( 3.059 -0.000 0.916) 3.193 17.009 ( 0.542 -0.000 -9.819) 9.834 ======================= Grid point 138 (49/300) ======================= q-point: ( 0.18 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 27.533 -6.385 11.567) 30.539 2.192 ( 14.896 -2.626 29.076) 32.775 3.397 ( 46.032 -7.379 11.689) 48.063 3.752 ( -6.511 -0.683 -1.717) 6.768 3.837 ( 16.372 4.869 -6.443) 18.255 4.379 ( 3.286 -6.789 -3.810) 8.450 4.901 ( -9.852 5.069 6.068) 12.632 4.981 ( -9.680 -3.087 4.760) 11.220 5.599 ( -8.932 8.572 1.706) 12.497 5.900 ( -2.663 -5.187 -3.380) 6.739 6.414 ( -7.352 6.096 3.842) 10.294 6.501 ( -6.928 -2.360 3.651) 8.179 6.891 ( -8.723 4.378 1.946) 9.952 7.000 ( -1.978 -0.418 -3.100) 3.701 7.232 ( -6.761 1.973 -10.232) 12.422 7.838 ( -0.480 -0.058 -12.113) 12.122 8.261 ( 1.527 -1.311 -3.222) 3.799 8.401 ( -6.970 0.342 10.854) 12.904 9.288 ( 1.871 -2.916 0.346) 3.481 9.437 ( 4.931 -0.247 0.483) 4.960 9.935 ( -1.228 1.807 -8.314) 8.597 10.375 ( 4.772 -2.565 -0.552) 5.446 10.638 ( -9.389 -0.339 5.246) 10.761 11.638 ( 3.969 2.909 -1.475) 5.137 11.778 ( 5.036 -9.561 -2.600) 11.115 12.034 ( 7.101 11.740 0.366) 13.725 12.432 ( 14.864 -11.378 -6.488) 19.811 12.769 ( -14.137 4.274 -1.270) 14.823 13.065 ( 8.867 -2.732 -3.231) 9.824 13.653 ( 8.764 -1.751 6.493) 11.047 14.540 ( -0.104 -0.644 -1.686) 1.808 15.106 ( -4.427 1.807 -2.454) 5.374 15.324 ( -1.946 -1.289 0.830) 2.477 15.930 ( -5.315 1.192 3.693) 6.581 16.334 ( 3.967 -1.558 1.577) 4.544 16.927 ( -0.168 4.514 -11.269) 12.141 ======================= Grid point 139 (50/300) ======================= q-point: ( 0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 19.130 -4.796 12.441) 23.319 2.622 ( 18.117 -5.563 17.825) 26.017 3.624 ( -5.629 0.426 -1.735) 5.906 3.962 ( 11.084 8.802 -5.179) 15.071 4.195 ( 30.521 -9.886 4.862) 32.449 4.515 ( 3.807 -9.949 -2.206) 10.879 4.653 ( -12.496 1.188 -1.162) 12.606 4.847 ( -14.470 -1.357 1.932) 14.662 5.467 ( 0.790 11.720 5.003) 12.768 5.816 ( -11.198 -4.160 2.740) 12.256 6.239 ( -4.705 5.325 -3.160) 7.777 6.380 ( -6.645 1.071 0.676) 6.765 6.833 ( -0.270 5.551 5.386) 7.739 7.005 ( 2.591 -0.497 -4.089) 4.866 7.040 ( -6.501 -0.165 -6.798) 9.408 7.748 ( -0.758 1.006 -13.053) 13.114 8.202 ( -6.790 2.615 0.642) 7.304 8.397 ( -2.754 -3.696 9.373) 10.445 9.365 ( 3.616 -3.244 -0.464) 4.880 9.524 ( 4.346 -1.713 -0.531) 4.701 9.890 ( 3.442 0.528 -9.372) 9.998 10.439 ( 0.042 1.005 0.136) 1.015 10.534 ( -7.125 -3.290 6.201) 10.002 11.671 ( -0.019 -3.582 -2.108) 4.156 11.883 ( -1.669 -3.978 -1.303) 4.506 12.055 ( 6.511 2.933 -0.507) 7.159 12.396 ( -4.471 12.787 -2.652) 13.804 12.797 ( 5.984 -6.356 -1.800) 8.913 13.226 ( 6.278 -9.579 4.103) 12.166 13.861 ( 11.469 0.133 0.719) 11.492 14.491 ( -4.570 0.399 -3.232) 5.612 15.008 ( -3.468 2.484 -0.296) 4.276 15.326 ( -0.844 -3.378 0.774) 3.567 15.842 ( -5.454 2.539 3.315) 6.869 16.428 ( 3.980 -1.970 2.226) 4.967 16.809 ( 0.019 5.830 -10.746) 12.225 ======================= Grid point 140 (51/300) ======================= q-point: ( 0.36 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 5.664 2.196 9.457) 11.240 3.052 ( 16.583 -5.194 7.071) 18.761 3.550 ( -2.467 -0.201 0.226) 2.486 3.955 ( 0.917 9.382 -2.884) 9.858 4.365 ( -5.970 -0.211 -2.049) 6.315 4.571 ( -13.493 -1.393 0.572) 13.577 4.687 ( 6.411 -9.301 -1.277) 11.368 4.763 ( 7.019 -11.977 -1.576) 13.971 5.325 ( -9.666 4.757 -1.790) 10.921 5.762 ( 0.484 4.561 6.737) 8.150 6.124 ( -0.255 6.518 -4.079) 7.693 6.368 ( 5.774 1.025 1.511) 6.056 6.676 ( -7.655 6.324 -11.796) 15.419 6.989 ( 0.160 0.114 6.148) 6.151 7.078 ( 3.149 -1.738 1.701) 3.978 7.664 ( 1.408 0.544 -13.690) 13.773 8.055 ( -7.159 3.518 3.079) 8.550 8.452 ( -2.792 -5.515 9.248) 11.124 9.450 ( 3.606 -2.486 -0.750) 4.443 9.593 ( 2.740 -1.625 -2.351) 3.958 9.938 ( 7.561 -2.032 -8.388) 11.474 10.353 ( -7.208 1.911 4.873) 8.908 10.547 ( -1.693 -3.973 3.022) 5.271 11.615 ( -13.798 -9.895 -1.569) 17.052 11.845 ( 1.791 3.017 -1.654) 3.879 12.192 ( 8.796 -1.935 -0.593) 9.026 12.252 ( 3.428 12.807 -2.517) 13.495 12.846 ( -3.857 -1.041 4.729) 6.190 13.484 ( 7.980 -11.113 2.987) 14.003 13.991 ( 6.486 2.133 -6.093) 9.151 14.357 ( -6.758 1.949 -3.831) 8.009 14.954 ( -1.179 1.954 1.740) 2.869 15.376 ( 1.340 -5.581 0.855) 5.803 15.748 ( -4.183 4.073 3.185) 6.651 16.515 ( 3.623 -0.117 1.362) 3.872 16.719 ( 0.823 2.892 -6.584) 7.239 ======================= Grid point 141 (52/300) ======================= q-point: (-0.55 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -7.378 10.773 0.278) 13.060 3.227 ( -3.479 6.872 0.083) 7.703 3.533 ( 0.594 -1.915 3.771) 4.271 3.858 ( -0.604 2.394 -1.642) 2.965 4.340 ( -5.430 -5.687 1.279) 7.967 4.426 ( 1.817 -0.871 -5.001) 5.392 4.813 ( 1.245 -8.603 -0.824) 8.732 4.888 ( -5.816 -3.049 2.242) 6.939 5.186 ( -3.182 -7.680 -4.020) 9.235 5.721 ( -0.770 8.803 1.394) 8.946 6.066 ( 4.395 8.472 -3.132) 10.045 6.395 ( -4.128 6.488 -15.033) 16.886 6.503 ( 4.383 4.169 2.814) 6.671 7.038 ( -0.561 -3.621 6.609) 7.557 7.157 ( 3.812 -0.500 1.783) 4.238 7.654 ( 5.866 -1.920 -12.722) 14.140 7.986 ( 0.214 1.662 4.350) 4.662 8.507 ( -3.983 -5.872 10.051) 12.303 9.507 ( 1.765 -0.456 -1.139) 2.149 9.608 ( -0.143 -0.160 -3.049) 3.056 10.050 ( 5.636 -3.598 -4.547) 8.086 10.278 ( -2.322 0.582 4.276) 4.901 10.554 ( -3.421 -2.798 2.366) 5.013 11.495 ( -10.803 -13.082 -0.729) 16.982 11.844 ( 0.812 0.986 -3.897) 4.101 12.179 ( 8.122 17.653 -0.727) 19.445 12.385 ( 7.208 -8.219 -0.140) 10.933 12.777 ( -8.935 0.449 8.034) 12.024 13.660 ( 3.805 -2.249 0.027) 4.420 13.906 ( -9.017 3.601 -8.941) 13.199 14.286 ( 2.597 -1.944 -3.312) 4.636 14.943 ( 0.655 1.373 0.611) 1.639 15.475 ( 2.583 -6.527 0.508) 7.038 15.671 ( -1.956 5.199 3.698) 6.673 16.548 ( 3.192 4.585 -1.844) 5.883 16.729 ( 1.813 -3.620 1.050) 4.182 ======================= Grid point 142 (53/300) ======================= q-point: (-0.45 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -16.096 17.165 -2.946) 23.714 2.863 ( -20.005 16.941 -2.900) 26.374 3.628 ( 1.455 -4.378 4.255) 6.276 3.870 ( 0.755 -2.091 -0.435) 2.265 4.286 ( -1.600 -3.588 -5.513) 6.770 4.504 ( -0.166 -2.263 -4.806) 5.314 4.672 ( -15.272 7.651 3.308) 17.399 4.946 ( 4.719 -9.268 -0.258) 10.403 5.201 ( 1.175 5.384 -0.637) 5.547 5.689 ( 2.187 -5.602 0.866) 6.076 6.090 ( 7.866 3.388 -1.799) 8.752 6.194 ( -1.792 4.680 -15.283) 16.084 6.540 ( 3.113 3.082 1.904) 4.777 7.102 ( -1.829 -5.604 5.277) 7.911 7.227 ( 2.915 -1.473 -0.233) 3.274 7.728 ( 8.327 -2.321 -11.465) 14.358 8.080 ( 8.646 1.175 4.282) 9.719 8.540 ( -5.857 -5.602 10.310) 13.114 9.491 ( -1.900 2.009 -1.285) 3.049 9.565 ( -2.061 1.483 -2.709) 3.712 10.095 ( -4.051 -4.479 3.946) 7.214 10.343 ( 8.059 -0.398 -0.931) 8.122 10.524 ( -2.807 -0.893 0.412) 2.974 11.510 ( -4.587 -14.592 -0.453) 15.303 11.799 ( -2.522 -0.815 -4.601) 5.310 12.185 ( 12.434 14.685 -0.994) 19.267 12.549 ( 0.350 -1.388 4.511) 4.733 12.671 ( -6.367 -4.998 5.691) 9.895 13.601 ( -14.270 4.875 -9.845) 18.009 13.657 ( -1.167 5.933 -0.559) 6.072 14.387 ( 4.768 -6.386 -2.138) 8.252 14.955 ( 2.458 0.157 -2.084) 3.226 15.540 ( -0.994 -1.407 0.100) 1.725 15.664 ( 2.900 0.415 3.844) 4.833 16.524 ( 1.236 6.045 -1.059) 6.260 16.836 ( 3.735 -5.694 3.380) 7.603 ======================= Grid point 143 (54/300) ======================= q-point: (-0.36 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -19.742 20.697 -0.379) 28.605 2.309 ( -22.626 21.241 -2.456) 31.131 3.675 ( -6.248 -6.444 3.669) 9.696 3.864 ( -2.573 5.477 -1.961) 6.362 4.024 ( -25.803 22.655 1.677) 34.378 4.344 ( 4.900 -4.400 -6.322) 9.128 4.615 ( 2.197 -1.853 -3.031) 4.177 5.019 ( -1.747 2.550 -1.803) 3.579 5.254 ( 9.620 -3.309 2.260) 10.421 5.888 ( 6.893 -13.044 2.859) 15.027 6.067 ( 2.782 5.536 -12.683) 14.115 6.256 ( 9.424 -7.756 -1.634) 12.314 6.609 ( 5.362 -3.086 1.167) 6.296 7.131 ( -3.457 -3.656 4.727) 6.904 7.279 ( 1.342 -3.962 -2.488) 4.867 7.834 ( 9.207 -2.805 -9.947) 13.841 8.237 ( 9.875 4.078 2.224) 10.913 8.527 ( -8.838 -4.516 9.410) 13.676 9.419 ( -3.794 0.983 0.217) 3.925 9.488 ( -1.794 4.394 -2.886) 5.555 10.070 ( -7.917 -4.779 6.714) 11.428 10.490 ( 6.302 -2.310 0.515) 6.731 10.502 ( 3.789 1.998 -4.066) 5.906 11.548 ( -2.179 -4.723 -0.986) 5.294 11.748 ( -4.997 -4.879 -1.957) 7.252 12.262 ( 9.521 14.764 -4.418) 18.114 12.466 ( -4.319 -2.704 7.144) 8.775 12.745 ( -2.888 -6.092 2.780) 7.293 13.313 ( -8.920 -0.653 -7.426) 11.624 13.535 ( -3.517 9.618 -1.097) 10.300 14.495 ( 2.076 -4.949 -0.556) 5.395 15.003 ( 4.533 -2.066 -4.023) 6.403 15.508 ( -1.906 2.144 1.326) 3.160 15.756 ( 3.400 -3.323 2.230) 5.251 16.464 ( -1.093 6.205 0.109) 6.302 16.979 ( 5.170 -4.804 2.207) 7.394 ======================= Grid point 144 (55/300) ======================= q-point: (-0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -17.688 21.958 9.395) 29.720 1.721 ( -20.698 25.386 0.270) 32.756 3.119 ( -33.589 42.378 2.134) 54.117 3.588 ( -12.322 -5.614 1.438) 13.617 3.954 ( 4.057 0.115 1.620) 4.370 4.443 ( 4.693 -3.512 -4.029) 7.113 4.643 ( 2.655 2.756 -2.439) 4.538 4.969 ( 2.017 0.426 -2.256) 3.056 5.474 ( 6.719 -9.765 0.154) 11.855 6.009 ( 5.113 3.246 -8.561) 10.487 6.138 ( 5.350 -7.503 3.815) 9.974 6.491 ( 8.676 -10.194 -1.025) 13.425 6.807 ( 9.853 -10.398 0.917) 14.354 7.128 ( -2.825 -4.262 2.654) 5.761 7.317 ( -0.589 -6.075 -2.955) 6.781 7.971 ( 9.683 -3.816 -7.637) 12.909 8.319 ( 5.984 8.544 0.657) 10.451 8.437 ( -11.461 -2.021 6.825) 13.491 9.368 ( -2.790 -0.094 2.484) 3.737 9.402 ( -1.156 5.008 -2.339) 5.647 10.002 ( -10.508 -5.397 5.927) 13.216 10.508 ( 7.067 6.493 -4.714) 10.692 10.643 ( 5.894 -4.792 -0.613) 7.621 11.550 ( 2.783 1.977 -1.166) 3.607 11.680 ( -9.406 -5.472 1.213) 10.949 12.106 ( -0.814 18.393 -3.196) 18.686 12.468 ( -12.814 -0.263 -1.561) 12.911 12.794 ( 7.820 -10.198 2.195) 13.037 13.250 ( -0.516 0.645 -12.183) 12.211 13.402 ( -3.222 1.168 6.536) 7.380 14.532 ( -0.815 -0.745 0.425) 1.183 15.094 ( 5.500 -4.194 -4.360) 8.176 15.462 ( -2.019 2.295 1.082) 3.243 15.851 ( 2.420 -3.838 2.375) 5.121 16.379 ( -2.337 5.715 0.519) 6.196 17.102 ( 4.888 -2.460 -1.816) 5.765 ======================= Grid point 145 (56/300) ======================= q-point: (-0.18 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -8.728 19.585 27.634) 34.977 1.193 ( -12.283 30.108 6.818) 33.225 2.170 ( -28.815 51.978 7.959) 59.961 3.436 ( -11.443 -3.813 -0.645) 12.079 4.020 ( 2.296 -0.124 1.377) 2.680 4.475 ( 1.737 4.739 -5.463) 7.438 4.664 ( 3.443 -0.143 6.268) 7.153 5.068 ( 6.526 -7.051 -4.152) 10.466 5.632 ( 2.107 -9.551 -2.427) 10.078 6.054 ( 8.857 3.006 -5.856) 11.035 6.261 ( -1.006 -5.801 6.281) 8.609 6.659 ( 1.763 -2.916 1.874) 3.889 7.062 ( 7.980 -8.449 -2.841) 11.964 7.225 ( 4.934 -14.403 0.195) 15.226 7.356 ( -2.919 -12.170 -0.783) 12.540 8.133 ( 9.201 -4.359 -2.657) 10.522 8.260 ( -7.146 5.599 3.172) 9.616 8.294 ( -2.293 9.436 0.122) 9.711 9.325 ( -1.189 3.850 -1.446) 4.281 9.360 ( -1.906 -0.001 5.643) 5.956 9.913 ( -9.060 -5.561 3.477) 11.185 10.562 ( 13.010 9.283 -6.540) 17.269 10.755 ( 2.764 -4.644 -2.067) 5.786 11.553 ( -10.031 -3.055 0.802) 10.517 11.624 ( 7.272 1.356 0.479) 7.412 11.916 ( -0.104 16.708 -3.099) 16.993 12.166 ( -16.133 3.821 -3.781) 17.005 12.993 ( -3.568 13.221 -17.808) 22.465 13.106 ( 4.813 -13.716 -0.150) 14.537 13.481 ( 1.128 -5.624 3.879) 6.924 14.498 ( -1.789 3.310 1.033) 3.902 15.198 ( 4.315 -4.883 -3.596) 7.443 15.412 ( -1.838 2.053 0.379) 2.781 15.933 ( 1.169 -3.586 3.325) 5.028 16.294 ( -2.070 4.721 0.576) 5.187 17.140 ( 1.409 0.434 -8.675) 8.799 ======================= Grid point 146 (57/300) ======================= q-point: (-0.09 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 7.912 28.233 18.220) 34.520 1.072 ( 0.095 20.680 32.080) 38.168 1.462 ( -0.178 46.386 26.034) 53.193 3.311 ( -2.922 -0.002 -1.297) 3.197 4.031 ( -1.553 0.532 0.035) 1.642 4.392 ( 1.530 8.471 -5.619) 10.279 4.811 ( 0.356 -8.360 10.821) 13.678 5.209 ( 3.962 -6.893 -3.537) 8.702 5.715 ( 0.917 -7.505 -3.372) 8.279 6.136 ( 5.372 1.872 -4.191) 7.066 6.312 ( -2.891 -4.796 8.179) 9.912 6.627 ( -4.833 3.213 2.105) 6.174 7.185 ( 3.518 -2.777 -7.171) 8.457 7.413 ( -5.354 -22.031 0.212) 22.673 7.506 ( -0.001 -18.702 1.533) 18.765 8.079 ( -5.554 7.805 0.057) 9.580 8.143 ( -1.228 14.251 -0.216) 14.306 8.388 ( 9.553 -12.738 4.875) 16.652 9.274 ( -1.592 0.582 0.654) 1.817 9.363 ( -1.159 2.686 5.962) 6.641 9.901 ( 0.796 -6.266 2.421) 6.764 10.657 ( 1.542 0.415 -8.172) 8.326 10.826 ( 15.488 5.244 -7.402) 17.949 11.333 ( -16.217 10.152 -4.667) 19.694 11.668 ( -6.074 3.309 -2.755) 7.445 11.810 ( 8.082 7.455 -2.732) 11.330 11.949 ( 4.294 7.065 0.780) 8.305 12.535 ( 1.465 36.669 -25.055) 44.435 13.311 ( -0.882 -13.348 2.707) 13.649 13.516 ( 0.033 1.536 -1.710) 2.298 14.448 ( 0.456 4.964 1.432) 5.187 15.272 ( 1.002 -4.251 -2.562) 5.063 15.376 ( -0.589 1.433 0.047) 1.550 15.986 ( -0.312 -1.874 3.320) 3.825 16.238 ( -0.299 3.362 0.667) 3.441 17.049 ( -2.616 1.002 -9.494) 9.898 ======================= Grid point 149 (58/300) ======================= q-point: ( 0.18 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 26.087 -0.000 8.904) 27.565 2.572 ( 14.551 -0.000 23.415) 27.568 3.628 ( -6.251 0.000 -1.898) 6.533 4.062 ( 23.155 -0.000 -2.406) 23.280 4.118 ( 24.866 -0.000 2.271) 24.969 4.371 ( 2.908 -0.000 -2.991) 4.172 4.680 ( -17.358 0.000 -1.841) 17.455 4.829 ( -13.241 0.000 3.532) 13.704 5.627 ( 4.314 -0.000 11.458) 12.243 5.728 ( -14.379 0.000 -3.524) 14.805 6.331 ( -7.072 0.000 -0.392) 7.083 6.349 ( -6.542 0.000 -0.895) 6.602 6.901 ( 1.902 -0.000 8.365) 8.579 6.982 ( -0.360 0.000 -1.523) 1.565 7.048 ( -6.668 0.000 -12.734) 14.374 7.764 ( 0.104 -0.000 -13.905) 13.905 8.235 ( -2.102 0.000 -2.369) 3.167 8.348 ( -7.651 0.000 12.598) 14.739 9.328 ( 4.403 -0.000 -0.104) 4.404 9.507 ( 3.454 -0.000 0.046) 3.454 9.895 ( 2.279 -0.000 -10.088) 10.342 10.439 ( 3.825 -0.000 -0.042) 3.825 10.513 ( -9.288 0.000 5.381) 10.734 11.631 ( -4.326 0.000 -1.934) 4.739 11.842 ( 7.380 -0.000 -2.814) 7.898 12.096 ( -3.824 0.000 0.999) 3.952 12.609 ( -4.935 0.000 0.081) 4.935 12.638 ( 17.050 -0.000 -8.064) 18.861 13.130 ( 1.664 -0.000 6.702) 6.906 13.871 ( 14.466 -0.000 0.163) 14.467 14.492 ( -3.827 0.000 -3.627) 5.272 15.033 ( -4.145 0.000 -0.404) 4.164 15.291 ( -1.797 0.000 1.352) 2.249 15.865 ( -5.411 0.000 3.262) 6.318 16.408 ( 4.390 -0.000 2.628) 5.116 16.870 ( -1.348 0.000 -11.010) 11.092 ======================= Grid point 150 (59/300) ======================= q-point: ( 0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 13.598 3.513 11.366) 18.067 2.957 ( 17.862 -4.754 9.990) 21.011 3.542 ( -2.521 -0.361 -0.877) 2.693 4.160 ( 2.733 11.159 -3.370) 11.973 4.369 ( -12.110 -0.498 -2.317) 12.339 4.470 ( 2.384 -8.634 -1.057) 9.019 4.507 ( 3.148 -6.349 -0.044) 7.087 4.635 ( -3.931 -1.673 -1.957) 4.699 5.384 ( -21.118 1.597 -2.622) 21.340 5.858 ( 12.240 3.499 12.065) 17.539 6.221 ( -0.594 4.933 -4.578) 6.756 6.335 ( 3.124 -4.280 -0.554) 5.328 6.781 ( -8.902 3.805 -12.511) 15.819 7.002 ( 2.111 -0.147 8.614) 8.870 7.051 ( 4.259 -0.254 1.374) 4.483 7.684 ( 1.159 1.050 -15.564) 15.642 8.138 ( -6.194 4.641 1.588) 7.901 8.330 ( -6.241 -6.176 11.162) 14.202 9.414 ( 5.287 -1.096 -1.088) 5.508 9.555 ( 1.854 -1.529 -0.504) 2.455 9.909 ( 5.952 -0.856 -9.909) 11.591 10.393 ( -7.811 1.490 5.440) 9.634 10.488 ( 0.484 -1.817 0.683) 2.001 11.488 ( -13.235 -3.393 -1.494) 13.745 11.907 ( 3.818 2.974 -3.438) 5.936 12.089 ( 2.889 -4.296 -1.088) 5.290 12.537 ( 3.139 11.340 0.266) 11.769 12.802 ( 1.160 -2.978 -0.364) 3.216 13.281 ( 7.730 -7.790 7.496) 13.290 14.061 ( 11.528 3.220 -8.020) 14.408 14.372 ( -7.268 0.021 -5.432) 9.073 14.982 ( -2.082 0.890 3.009) 3.766 15.291 ( -0.431 -2.745 1.521) 3.168 15.798 ( -4.081 1.287 3.377) 5.451 16.500 ( 4.066 -0.709 3.583) 5.466 16.777 ( -1.258 2.064 -8.920) 9.242 ======================= Grid point 151 (60/300) ======================= q-point: ( 0.36 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 1.012 10.521 2.342) 10.826 3.269 ( 9.270 -2.731 4.562) 10.686 3.534 ( -1.256 1.900 0.961) 2.472 3.958 ( -7.672 7.518 -1.579) 10.857 4.239 ( -7.036 -4.247 0.915) 8.269 4.419 ( -0.806 -0.022 -4.907) 4.972 4.626 ( 0.786 -10.901 0.214) 10.931 4.753 ( 2.905 -8.854 0.426) 9.328 5.045 ( -16.838 -4.153 -3.931) 17.782 5.963 ( 4.342 13.287 3.250) 14.351 6.171 ( 2.896 3.087 -5.206) 6.710 6.473 ( 1.729 -0.888 -11.038) 11.208 6.572 ( 0.913 3.198 0.675) 3.394 7.049 ( -0.618 4.141 8.106) 9.123 7.143 ( 3.901 -0.458 3.260) 5.104 7.628 ( 4.644 -0.511 -16.111) 16.774 8.031 ( -2.422 2.680 4.050) 5.427 8.366 ( -5.535 -8.070 10.552) 14.391 9.490 ( 3.426 -0.854 -1.607) 3.879 9.585 ( 0.162 -1.883 -1.896) 2.677 9.984 ( 5.281 -2.735 -5.244) 7.929 10.309 ( -2.313 1.841 3.282) 4.417 10.497 ( -2.421 -2.650 0.951) 3.713 11.307 ( -11.640 -6.477 -1.283) 13.383 11.896 ( 1.804 4.048 -4.185) 6.096 12.223 ( 5.759 -8.074 -0.616) 9.937 12.488 ( 4.853 13.679 0.941) 14.545 12.775 ( -6.861 -0.368 6.068) 9.167 13.536 ( 7.365 -8.645 4.570) 12.241 14.028 ( -2.999 8.245 -12.605) 15.357 14.257 ( -1.280 -2.236 -7.216) 7.662 14.977 ( 0.630 2.170 2.754) 3.563 15.352 ( 1.530 -6.004 1.445) 6.362 15.748 ( -2.336 2.834 4.057) 5.473 16.592 ( 4.051 -0.292 3.507) 5.367 16.706 ( -0.564 1.257 -4.293) 4.508 ======================= Grid point 152 (61/300) ======================= q-point: (-0.55 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -8.784 18.014 -2.865) 20.245 3.181 ( -12.737 15.622 -2.468) 20.306 3.534 ( -0.256 -5.322 3.781) 6.533 3.864 ( 0.282 1.417 0.002) 1.445 4.210 ( -2.058 -4.872 -2.573) 5.882 4.440 ( 2.272 -2.796 -5.009) 6.170 4.691 ( -6.577 -5.618 5.448) 10.222 4.791 ( -1.741 -5.807 -0.182) 6.065 5.031 ( 3.648 -16.942 -2.759) 17.548 5.839 ( -1.975 15.873 0.637) 16.008 6.171 ( 2.973 2.787 -6.183) 7.405 6.305 ( -0.972 7.185 -13.148) 15.014 6.643 ( 2.027 4.736 3.240) 6.086 7.015 ( -3.975 -0.223 6.095) 7.280 7.203 ( 1.040 -1.551 0.853) 2.053 7.685 ( 9.573 -1.989 -13.046) 16.303 8.088 ( 6.215 -1.782 5.040) 8.198 8.410 ( -4.862 -6.717 9.736) 12.789 9.507 ( -1.618 -0.231 -2.272) 2.799 9.571 ( -1.140 -0.439 -2.019) 2.360 10.023 ( -3.662 -2.705 4.579) 6.457 10.354 ( 8.215 0.923 -3.240) 8.879 10.486 ( -1.463 -2.943 -0.028) 3.287 11.257 ( -3.144 -10.468 -1.162) 10.992 11.842 ( -0.495 4.204 -4.493) 6.173 12.405 ( 4.499 -9.765 2.380) 11.012 12.451 ( 5.137 12.182 2.722) 13.498 12.676 ( -7.744 2.190 5.430) 9.709 13.651 ( -7.423 -0.188 0.913) 7.481 13.776 ( -2.462 7.330 -10.758) 13.249 14.271 ( 2.596 -5.977 -6.897) 9.488 14.983 ( 2.425 2.844 -0.737) 3.810 15.449 ( 1.624 -6.526 0.080) 6.725 15.715 ( -0.895 3.376 4.817) 5.949 16.633 ( 1.684 5.071 -1.076) 5.451 16.733 ( 2.679 -4.936 4.496) 7.194 ======================= Grid point 153 (62/300) ======================= q-point: (-0.45 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -14.107 23.383 -1.931) 27.377 2.732 ( -15.916 22.639 -2.807) 27.816 3.566 ( -5.204 -5.354 3.692) 8.330 3.887 ( 2.107 -0.066 0.829) 2.265 4.243 ( 4.322 -4.252 -6.840) 9.140 4.373 ( -9.330 5.279 -5.402) 12.004 4.605 ( -4.869 3.386 4.775) 7.614 4.895 ( 0.718 -11.241 0.663) 11.283 5.259 ( 7.084 -6.715 0.445) 9.771 5.708 ( 0.748 2.088 1.958) 2.958 6.130 ( 0.830 0.224 -11.238) 11.271 6.225 ( 5.143 5.241 -5.542) 9.200 6.622 ( 1.282 3.989 1.434) 4.428 7.016 ( -4.650 -6.517 5.384) 9.648 7.229 ( 0.445 -2.609 -2.053) 3.350 7.790 ( 9.410 -1.591 -10.870) 14.465 8.260 ( 4.168 -5.727 5.780) 9.142 8.441 ( -0.965 -0.761 6.369) 6.487 9.429 ( -5.256 -0.006 -0.940) 5.340 9.539 ( -1.147 1.258 -2.646) 3.146 9.989 ( -8.224 -3.294 8.281) 12.127 10.447 ( 3.375 -2.340 -0.170) 4.111 10.540 ( 8.800 1.618 -5.936) 10.737 11.370 ( 3.802 -11.061 -1.092) 11.747 11.762 ( -1.395 4.314 -3.183) 5.539 12.424 ( -2.577 2.302 7.773) 8.506 12.554 ( -0.424 7.676 0.670) 7.717 12.599 ( 2.909 -6.469 3.016) 7.708 13.347 ( -13.723 5.546 -9.457) 17.564 13.694 ( -2.409 6.318 -1.952) 7.038 14.365 ( 3.079 -8.647 -3.179) 9.714 15.002 ( 4.296 1.931 -3.617) 5.938 15.504 ( -0.517 -2.983 -0.623) 3.091 15.721 ( 0.712 0.110 4.330) 4.390 16.581 ( -1.124 5.791 0.062) 5.899 16.879 ( 5.075 -5.501 4.512) 8.739 ======================= Grid point 154 (63/300) ======================= q-point: (-0.36 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -13.231 25.881 4.794) 29.460 2.238 ( -12.883 28.151 -1.027) 30.976 3.506 ( -8.585 -3.165 2.563) 9.502 3.884 ( -16.739 34.226 -0.052) 38.100 3.948 ( 0.115 0.405 1.483) 1.542 4.361 ( 6.291 -5.201 -4.985) 9.565 4.600 ( 1.491 -4.876 -1.033) 5.203 4.961 ( -2.877 -5.288 -0.599) 6.049 5.363 ( 4.534 0.022 1.250) 4.703 5.881 ( 5.711 -13.111 3.740) 14.782 6.119 ( 6.935 0.187 -10.896) 12.917 6.292 ( 5.151 -6.288 -3.279) 8.765 6.669 ( 4.300 -3.418 2.023) 5.854 7.019 ( -6.420 -6.533 4.779) 10.331 7.248 ( 0.768 -2.867 -4.486) 5.379 7.907 ( 9.334 -2.589 -8.518) 12.899 8.323 ( -10.028 -9.405 7.690) 15.753 8.489 ( 8.432 8.448 0.420) 11.943 9.361 ( -3.093 -0.723 1.318) 3.439 9.479 ( -1.858 2.926 -2.741) 4.419 9.910 ( -10.882 -3.845 7.716) 13.883 10.537 ( 2.475 -5.873 1.154) 6.477 10.632 ( 11.138 5.910 -7.686) 14.767 11.522 ( 4.815 -4.569 -0.285) 6.643 11.683 ( -1.519 4.633 -1.004) 4.978 12.368 ( -5.692 1.770 3.911) 7.129 12.506 ( 0.212 10.434 -1.101) 10.494 12.644 ( -3.360 -5.396 1.892) 6.632 13.154 ( -0.662 -3.877 -6.105) 7.262 13.541 ( -6.152 8.074 -0.761) 10.179 14.469 ( 1.676 -6.068 -0.201) 6.299 15.050 ( 5.616 -0.125 -5.005) 7.523 15.490 ( -1.987 0.403 0.163) 2.034 15.777 ( 1.192 -3.546 2.913) 4.741 16.494 ( -2.503 6.162 0.391) 6.662 17.028 ( 4.331 -5.055 1.204) 6.765 ======================= Grid point 155 (64/300) ======================= q-point: (-0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -6.800 25.148 17.302) 31.274 1.799 ( -5.397 32.494 3.216) 33.096 3.159 ( -17.828 50.821 4.046) 54.009 3.399 ( -7.290 -0.625 1.155) 7.407 4.007 ( 1.918 -1.496 0.860) 2.580 4.470 ( 3.885 -2.972 -0.208) 4.896 4.696 ( 4.949 -2.092 -2.050) 5.751 4.941 ( -1.505 -4.649 -2.136) 5.333 5.455 ( 1.569 -7.157 -0.083) 7.328 6.044 ( 2.617 -5.926 1.815) 6.728 6.209 ( 7.296 1.400 -5.228) 9.084 6.476 ( 5.271 -16.099 -2.182) 17.080 6.849 ( 5.864 -10.742 3.744) 12.799 6.995 ( -6.278 -8.819 2.264) 11.060 7.251 ( 0.204 -2.139 -5.948) 6.325 8.049 ( 8.799 -4.085 -5.163) 10.990 8.248 ( -10.584 -4.915 5.008) 12.699 8.512 ( 4.986 11.042 -0.819) 12.143 9.361 ( 0.313 -0.203 4.200) 4.217 9.394 ( -3.114 3.204 -1.863) 4.841 9.813 ( -9.262 -4.356 5.073) 11.423 10.626 ( 0.061 -7.104 -2.196) 7.436 10.723 ( 12.719 6.806 -4.987) 15.263 11.532 ( -6.412 1.287 1.976) 6.832 11.692 ( 10.454 4.534 -1.255) 11.464 12.213 ( -17.165 7.378 -4.449) 19.206 12.282 ( 2.080 13.692 0.579) 13.861 12.792 ( 4.068 -14.851 2.435) 15.589 13.177 ( -0.496 1.718 -10.288) 10.443 13.414 ( -0.601 1.405 6.140) 6.328 14.523 ( 0.355 -1.216 1.414) 1.898 15.124 ( 5.036 -2.434 -4.956) 7.473 15.446 ( -2.184 1.407 0.195) 2.606 15.850 ( 0.594 -4.911 3.016) 5.794 16.397 ( -2.219 5.906 0.285) 6.316 17.102 ( 0.170 -3.915 -5.406) 6.677 ======================= Grid point 156 (65/300) ======================= q-point: (-0.18 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 1.786 20.226 29.530) 35.837 1.521 ( 4.937 32.595 10.474) 34.590 2.498 ( -1.118 56.529 8.452) 57.169 3.321 ( -1.270 1.050 -0.172) 1.657 4.029 ( -1.247 -0.885 0.217) 1.545 4.522 ( 1.956 2.977 -1.287) 3.788 4.747 ( 2.479 1.900 5.204) 6.070 5.025 ( 2.429 -12.013 -4.133) 12.934 5.536 ( -1.118 -10.008 -1.304) 10.155 6.153 ( 3.807 -4.054 1.992) 5.907 6.241 ( 0.779 1.213 -1.381) 1.997 6.633 ( -1.185 -5.698 1.198) 5.942 6.983 ( -3.279 -17.203 -0.747) 17.528 7.121 ( 2.407 -14.534 1.059) 14.770 7.230 ( -1.332 -3.585 -5.553) 6.742 8.148 ( -3.862 -0.587 0.514) 3.940 8.212 ( 4.579 -4.893 0.016) 6.702 8.433 ( 0.808 12.658 -1.034) 12.726 9.293 ( -4.707 1.651 0.929) 5.074 9.419 ( 3.224 2.498 4.982) 6.438 9.780 ( -2.226 -6.058 1.995) 6.756 10.634 ( -2.557 -3.743 -6.114) 7.611 10.861 ( 10.177 2.266 -1.039) 10.478 11.415 ( -4.687 2.800 0.361) 5.471 11.791 ( -8.349 7.783 -2.139) 11.613 11.914 ( 10.678 4.525 -5.141) 12.685 12.182 ( 0.781 15.339 1.958) 15.483 12.992 ( -0.091 11.339 -12.087) 16.573 13.003 ( -0.111 -14.461 0.484) 14.470 13.511 ( 3.871 -1.530 4.465) 6.104 14.529 ( 0.562 2.752 1.900) 3.391 15.190 ( 2.082 -3.895 -4.119) 6.039 15.403 ( -1.178 1.459 -0.052) 1.876 15.919 ( -0.564 -4.983 3.944) 6.380 16.323 ( -0.312 5.270 0.241) 5.285 17.034 ( -5.501 -2.388 -11.941) 13.362 ======================= Grid point 157 (66/300) ======================= q-point: (-0.09 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 12.129 27.062 15.902) 33.651 1.531 ( 10.450 14.805 32.196) 36.946 2.293 ( 28.422 44.609 15.086) 55.003 3.368 ( 8.518 -0.791 -2.613) 8.945 3.980 ( -4.692 0.298 -0.941) 4.795 4.479 ( 2.595 8.560 -3.833) 9.731 4.822 ( -0.221 -2.037 11.484) 11.665 5.129 ( -1.167 -9.681 -2.663) 10.108 5.598 ( -2.673 -11.738 -1.973) 12.199 6.176 ( -2.097 5.311 -3.633) 6.767 6.279 ( 0.278 -6.715 7.837) 10.324 6.603 ( -2.919 1.751 1.869) 3.883 7.073 ( -10.029 -19.382 -0.988) 21.846 7.177 ( 1.261 -2.130 -9.536) 9.853 7.282 ( -5.026 -15.518 1.176) 16.354 8.110 ( 0.147 6.007 -2.028) 6.342 8.202 ( -1.520 4.963 -3.117) 6.055 8.421 ( 1.526 -2.747 4.134) 5.193 9.249 ( -0.386 -1.065 0.892) 1.442 9.434 ( 0.194 6.170 3.618) 7.155 9.875 ( 3.010 -8.480 -0.415) 9.008 10.533 ( -5.957 2.706 -6.622) 9.309 10.902 ( -6.656 1.915 5.794) 9.030 11.409 ( 11.890 3.402 -6.726) 14.077 11.575 ( -2.773 0.842 -2.197) 3.637 12.024 ( -0.342 17.152 1.113) 17.191 12.169 ( 17.720 1.752 -3.066) 18.069 12.839 ( 12.145 19.282 -14.221) 26.862 13.092 ( -9.415 -14.766 1.446) 17.572 13.564 ( 2.306 4.090 1.876) 5.056 14.526 ( 2.028 3.827 1.370) 4.543 15.208 ( -2.072 -3.989 -3.340) 5.599 15.380 ( -0.243 1.266 -0.114) 1.294 15.963 ( -2.131 -3.796 4.308) 6.125 16.292 ( 1.757 4.561 0.370) 4.902 16.913 ( -3.006 -5.593 -11.403) 13.052 ======================= Grid point 161 (67/300) ======================= q-point: ( 0.27 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 5.799 -0.000 -1.783) 6.067 3.173 ( 8.872 -0.000 10.832) 14.002 3.560 ( 3.664 -0.000 1.136) 3.836 4.065 ( -13.895 0.000 -2.258) 14.077 4.192 ( -9.118 0.000 0.304) 9.123 4.439 ( 0.888 -0.000 -5.889) 5.956 4.467 ( 2.571 -0.000 0.615) 2.644 4.660 ( 2.946 -0.000 0.239) 2.956 5.011 ( -20.697 0.000 -2.856) 20.893 6.114 ( 8.508 -0.000 2.952) 9.006 6.215 ( -0.936 0.000 -5.204) 5.287 6.407 ( 7.086 -0.000 -5.013) 8.680 6.618 ( -3.909 0.000 -4.604) 6.040 7.086 ( 1.696 -0.000 6.732) 6.942 7.158 ( 5.338 -0.000 6.143) 8.138 7.629 ( 3.629 -0.000 -17.761) 18.128 8.067 ( -7.177 0.000 2.115) 7.482 8.267 ( -3.876 0.000 12.415) 13.006 9.483 ( 3.928 -0.000 -2.273) 4.539 9.561 ( 0.514 -0.000 -0.818) 0.966 9.958 ( 5.671 -0.000 -5.857) 8.153 10.328 ( -3.031 0.000 3.155) 4.375 10.470 ( -2.221 0.000 0.400) 2.256 11.247 ( -11.613 0.000 -1.314) 11.687 11.957 ( 2.484 -0.000 -5.277) 5.833 12.124 ( 4.736 -0.000 0.456) 4.758 12.635 ( 1.887 -0.000 1.553) 2.444 12.770 ( -5.143 0.000 4.806) 7.039 13.433 ( 10.184 -0.000 5.300) 11.481 14.162 ( 5.606 -0.000 -14.062) 15.139 14.188 ( -10.004 0.000 -7.803) 12.687 15.006 ( 1.689 -0.000 4.103) 4.437 15.284 ( 0.382 -0.000 1.664) 1.707 15.775 ( -2.255 0.000 4.257) 4.817 16.581 ( 3.328 -0.000 4.559) 5.644 16.726 ( -0.597 0.000 -5.500) 5.532 ======================= Grid point 162 (68/300) ======================= q-point: (-0.64 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( -2.741 12.377 -3.874) 13.256 3.341 ( 0.893 -2.723 3.325) 4.389 3.492 ( -8.940 3.801 -1.589) 9.843 3.925 ( -1.812 4.765 1.117) 5.219 4.094 ( -3.966 -6.746 -0.140) 7.827 4.421 ( 1.600 0.675 -5.655) 5.915 4.551 ( 0.478 -6.450 4.170) 7.695 4.718 ( -3.483 -1.920 1.069) 4.118 4.770 ( -2.041 -8.184 -2.878) 8.912 6.107 ( -1.366 10.017 -3.182) 10.599 6.193 ( 1.557 0.147 -8.518) 8.661 6.405 ( 2.888 1.745 -10.935) 11.443 6.641 ( -0.052 -2.056 8.018) 8.277 7.112 ( -1.704 3.973 4.025) 5.906 7.192 ( -3.453 2.579 2.706) 5.089 7.659 ( 10.983 -0.700 -13.360) 17.309 7.993 ( -5.729 -5.900 5.278) 9.772 8.337 ( 3.634 -1.192 8.653) 9.461 9.494 ( -1.373 -0.616 -3.102) 3.448 9.561 ( -0.155 -0.425 -1.602) 1.665 9.994 ( -2.069 -0.531 4.509) 4.989 10.368 ( 8.769 0.508 -4.398) 9.824 10.431 ( -2.939 -2.126 0.359) 3.644 11.132 ( -2.760 -3.032 -1.443) 4.347 11.931 ( 0.590 4.043 -4.534) 6.104 12.239 ( 4.163 -6.197 2.234) 7.793 12.631 ( -1.301 6.116 3.995) 7.420 12.699 ( -5.851 -0.245 5.503) 8.036 13.621 ( 6.342 -1.647 3.660) 7.505 13.927 ( -8.790 7.450 -11.046) 15.962 14.152 ( -0.895 -6.132 -12.235) 13.714 15.052 ( 3.957 3.439 -0.227) 5.248 15.331 ( 1.484 -4.693 1.264) 5.082 15.764 ( -1.709 1.474 5.025) 5.509 16.663 ( 2.390 -2.022 4.773) 5.708 16.703 ( 1.213 1.956 -1.324) 2.655 ======================= Grid point 163 (69/300) ======================= q-point: (-0.55 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -9.449 20.632 -3.579) 22.973 3.125 ( -10.531 17.465 -2.779) 20.583 3.454 ( -4.250 -6.937 2.930) 8.647 3.889 ( 0.293 0.968 1.340) 1.679 4.123 ( -0.259 -7.978 -4.156) 8.999 4.392 ( -0.208 0.466 -6.030) 6.051 4.648 ( 0.448 -2.118 7.979) 8.267 4.695 ( -1.081 -7.033 -1.736) 7.324 4.990 ( 10.279 -15.170 1.588) 18.393 5.931 ( -4.146 14.129 -1.199) 14.774 6.134 ( -0.340 0.259 -11.083) 11.092 6.359 ( 2.045 7.401 -6.977) 10.375 6.685 ( -0.596 -0.399 4.542) 4.599 6.972 ( -7.893 4.300 4.143) 9.897 7.164 ( -1.439 -3.932 -2.543) 4.899 7.776 ( 9.904 0.098 -9.860) 13.976 8.042 ( -6.271 -13.825 8.320) 17.311 8.485 ( 10.318 2.843 3.654) 11.309 9.418 ( -5.777 -0.980 -2.800) 6.494 9.549 ( -0.400 0.074 -2.031) 2.071 9.956 ( -7.488 -0.299 9.729) 12.280 10.393 ( -2.309 -3.142 0.639) 3.951 10.561 ( 15.487 0.651 -8.049) 17.466 11.202 ( 7.044 -5.936 -1.751) 9.376 11.863 ( -0.345 5.712 -2.513) 6.250 12.372 ( -0.717 -7.499 5.569) 9.369 12.539 ( -4.970 3.370 7.235) 9.403 12.663 ( -1.637 1.007 1.154) 2.242 13.537 ( -7.635 13.349 -7.998) 17.334 13.767 ( -1.960 1.713 -2.274) 3.456 14.173 ( 1.079 -11.458 -7.011) 13.476 15.071 ( 5.057 4.939 -3.882) 8.064 15.413 ( 1.390 -5.711 -0.250) 5.883 15.745 ( -2.120 1.650 5.007) 5.682 16.670 ( -0.976 3.395 0.873) 3.639 16.786 ( 4.534 -3.860 4.336) 7.366 ======================= Grid point 164 (70/300) ======================= q-point: (-0.45 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -9.989 25.318 1.305) 27.248 2.750 ( -8.358 24.964 -1.605) 26.375 3.442 ( -5.766 -4.359 3.073) 7.854 3.913 ( 0.701 -1.875 1.135) 2.301 4.218 ( 5.013 -10.050 -6.768) 13.112 4.337 ( 0.484 8.479 -4.771) 9.741 4.609 ( -4.596 8.641 6.541) 11.772 4.776 ( -1.863 -11.496 0.585) 11.661 5.324 ( 10.226 -10.450 2.433) 14.822 5.755 ( -1.318 6.083 1.504) 6.404 6.073 ( -0.653 -1.928 -8.516) 8.756 6.296 ( 2.990 3.109 -7.073) 8.285 6.679 ( 0.988 3.633 0.686) 3.827 6.900 ( -6.621 -5.473 6.359) 10.688 7.173 ( -0.116 -5.147 -5.313) 7.399 7.877 ( 8.516 -0.929 -8.030) 11.741 8.096 ( -9.208 -13.525 8.116) 18.264 8.630 ( 10.506 6.152 0.103) 12.175 9.334 ( -4.001 -2.156 -1.092) 4.675 9.518 ( -1.306 1.436 -1.911) 2.724 9.871 ( -9.610 -0.123 9.635) 13.609 10.412 ( -1.925 -6.884 1.150) 7.240 10.741 ( 15.221 5.392 -8.347) 18.178 11.421 ( 12.360 -5.601 -1.909) 13.703 11.791 ( -0.548 6.116 -0.354) 6.150 12.350 ( -6.991 -0.618 7.515) 10.282 12.549 ( -6.118 -3.963 3.813) 8.226 12.629 ( -0.646 -1.324 0.856) 1.704 13.259 ( -0.631 15.088 -8.282) 17.223 13.652 ( -7.406 3.590 -0.808) 8.270 14.303 ( 3.127 -11.378 -1.578) 11.905 15.090 ( 5.893 4.106 -5.586) 9.099 15.465 ( -0.134 -3.158 -0.835) 3.269 15.733 ( -1.707 -0.980 4.072) 4.523 16.604 ( -2.275 5.414 0.557) 5.899 16.923 ( 3.527 -5.778 2.166) 7.108 ======================= Grid point 165 (71/300) ======================= q-point: (-0.36 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -5.105 26.886 9.877) 29.094 2.391 ( -3.125 29.479 1.486) 29.682 3.391 ( -4.893 -0.650 2.485) 5.526 3.939 ( -1.350 2.405 -1.180) 3.000 4.051 ( -4.808 32.619 1.411) 33.001 4.389 ( 6.730 -7.116 -3.272) 10.326 4.568 ( 0.615 -5.811 2.286) 6.274 4.832 ( -3.671 -9.061 0.139) 9.777 5.432 ( 1.504 3.920 0.739) 4.263 5.874 ( 4.017 -10.944 4.895) 12.644 6.102 ( 3.182 -12.536 -6.342) 14.405 6.315 ( 5.784 0.966 -8.521) 10.344 6.705 ( 2.317 -3.484 2.315) 4.782 6.875 ( -7.616 -5.052 6.302) 11.101 7.193 ( 1.073 -4.683 -7.596) 8.988 7.990 ( 8.153 -2.473 -5.718) 10.261 8.093 ( -9.244 -10.412 5.980) 15.153 8.696 ( 6.069 8.332 -1.191) 10.377 9.332 ( 0.842 -3.191 0.807) 3.398 9.451 ( -3.628 3.077 -0.418) 4.776 9.769 ( -8.171 -0.108 7.093) 10.820 10.464 ( -1.955 -9.278 0.350) 9.488 10.864 ( 12.836 7.768 -6.750) 16.452 11.583 ( 1.680 3.130 0.828) 3.648 11.772 ( 8.412 3.460 -1.836) 9.279 12.288 ( -10.829 2.866 2.099) 11.397 12.402 ( -7.229 -6.122 0.590) 9.492 12.667 ( 2.112 1.950 1.951) 3.474 13.188 ( 5.504 5.568 -2.769) 8.305 13.496 ( -5.163 4.514 2.274) 7.225 14.441 ( 2.295 -7.566 1.461) 8.041 15.121 ( 5.300 2.160 -6.103) 8.367 15.460 ( -1.553 -0.166 -0.474) 1.632 15.758 ( -0.978 -4.458 2.972) 5.446 16.511 ( -2.333 5.972 -0.115) 6.412 17.007 ( -0.304 -5.831 -3.299) 6.707 ======================= Grid point 166 (72/300) ======================= q-point: (-0.27 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 1.852 24.742 19.526) 31.573 2.129 ( 3.609 31.028 6.410) 31.888 3.336 ( -1.366 3.397 0.679) 3.724 3.528 ( -0.417 47.848 3.668) 47.990 3.992 ( -1.322 -2.933 -0.259) 3.228 4.513 ( 3.308 -2.264 3.197) 5.127 4.722 ( 5.745 -12.042 -2.628) 13.598 4.836 ( -3.091 -4.167 0.484) 5.211 5.413 ( -1.358 -0.651 -0.444) 1.570 6.009 ( -1.161 -9.683 4.965) 10.944 6.301 ( 6.584 -4.942 -6.509) 10.494 6.354 ( 2.329 -10.894 -4.471) 12.004 6.814 ( -8.344 -6.094 4.064) 11.103 6.848 ( 2.751 -9.616 4.488) 10.962 7.198 ( 0.894 -2.538 -9.207) 9.592 8.080 ( -3.782 -6.209 2.129) 7.576 8.121 ( 5.574 -4.618 -1.681) 7.431 8.652 ( 0.075 10.087 -1.569) 10.209 9.340 ( -5.601 2.985 0.786) 6.395 9.425 ( 5.066 -2.195 3.029) 6.297 9.706 ( -3.566 -1.134 3.538) 5.149 10.513 ( -2.208 -8.422 -2.115) 8.960 10.944 ( 8.266 6.237 -2.659) 10.691 11.495 ( -3.600 5.766 0.448) 6.812 11.925 ( 6.159 5.682 0.802) 8.418 11.996 ( -5.995 4.217 -6.117) 9.547 12.416 ( -0.584 3.429 1.333) 3.725 12.712 ( -0.386 -7.841 2.853) 8.353 13.179 ( 2.229 6.744 -3.951) 8.128 13.504 ( 5.303 1.536 7.736) 9.504 14.530 ( 1.122 -2.961 2.784) 4.216 15.145 ( 2.419 -0.443 -5.730) 6.235 15.428 ( -1.027 1.031 -0.596) 1.573 15.809 ( -1.369 -6.280 3.105) 7.138 16.428 ( -0.572 5.599 -0.483) 5.648 16.968 ( -5.582 -4.276 -10.318) 12.486 ======================= Grid point 167 (73/300) ======================= q-point: (-0.18 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 8.097 19.671 25.640) 33.315 1.998 ( 9.363 29.374 11.099) 32.767 3.185 ( 16.289 44.218 4.871) 47.374 3.377 ( 5.660 4.241 0.718) 7.109 3.967 ( -4.147 -1.819 -1.170) 4.677 4.580 ( 1.869 1.233 3.127) 3.846 4.833 ( -0.756 -0.016 4.021) 4.091 4.906 ( 3.882 -11.921 -3.186) 12.936 5.398 ( -4.535 -7.050 -0.961) 8.437 6.104 ( -3.739 -11.472 6.028) 13.488 6.290 ( 2.497 5.907 -6.549) 9.166 6.516 ( -2.140 -14.280 0.784) 14.461 6.760 ( -7.085 -7.927 2.039) 10.826 7.007 ( -0.369 -12.769 2.698) 13.056 7.165 ( 0.354 -0.810 -10.769) 10.805 8.122 ( 2.471 -3.499 0.436) 4.306 8.215 ( 0.710 -2.791 -0.952) 3.033 8.506 ( -4.506 9.007 -0.618) 10.090 9.252 ( -1.927 1.480 0.578) 2.497 9.523 ( 2.725 2.380 3.648) 5.138 9.732 ( 2.104 -5.733 -0.149) 6.109 10.515 ( -2.621 -3.944 -4.106) 6.268 10.958 ( -2.433 4.107 3.730) 6.058 11.437 ( 3.303 2.091 -1.538) 4.201 11.695 ( -6.455 8.351 -2.466) 10.839 12.173 ( 13.179 -0.157 -3.265) 13.579 12.325 ( 1.538 11.806 0.061) 11.906 12.788 ( -6.987 -13.500 2.339) 15.380 13.143 ( 7.479 11.793 -3.364) 14.364 13.629 ( 5.707 3.205 6.825) 9.456 14.570 ( 0.638 0.329 2.419) 2.524 15.138 ( -1.578 -2.832 -4.737) 5.741 15.407 ( 0.360 1.467 -0.853) 1.735 15.860 ( -2.658 -6.846 3.927) 8.328 16.387 ( 1.955 5.152 -0.258) 5.517 16.823 ( -6.411 -3.972 -14.217) 16.094 ======================= Grid point 168 (74/300) ======================= q-point: (-0.09 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 15.700 18.793 18.464) 30.669 2.030 ( 13.484 18.507 21.184) 31.194 3.259 ( 32.720 33.460 7.862) 47.455 3.499 ( 10.766 -1.573 -2.310) 11.123 3.884 ( -5.673 0.102 -1.443) 5.854 4.588 ( 2.790 6.350 -0.177) 6.938 4.842 ( -4.152 -3.194 5.899) 7.890 5.025 ( 1.354 -4.567 1.121) 4.894 5.381 ( -8.110 -12.620 -1.870) 15.117 6.110 ( -7.422 -2.766 1.512) 8.064 6.271 ( 0.630 -2.434 -0.196) 2.522 6.548 ( -5.622 -5.440 3.855) 8.721 6.749 ( -7.488 -11.807 0.754) 14.002 7.062 ( -3.204 -3.185 -2.635) 5.230 7.152 ( 1.633 -7.380 -9.503) 12.142 8.090 ( -7.171 6.835 -6.722) 11.972 8.233 ( 4.760 -1.651 -0.659) 5.082 8.411 ( -4.575 -0.638 5.883) 7.480 9.267 ( 3.840 -0.835 -0.999) 4.055 9.511 ( -0.166 6.035 2.358) 6.481 9.833 ( 2.660 -6.570 -3.927) 8.103 10.464 ( -1.920 1.109 -3.273) 3.953 10.835 ( -9.411 5.027 7.360) 12.962 11.552 ( 5.979 -5.508 -0.475) 8.143 11.602 ( 6.842 5.256 -2.819) 9.077 12.145 ( -0.149 11.892 -2.530) 12.159 12.460 ( 14.340 1.368 -2.040) 14.549 12.737 ( -13.341 -11.413 0.571) 17.566 13.154 ( 10.091 13.465 -2.926) 17.079 13.689 ( 3.832 7.058 5.834) 9.926 14.577 ( 0.045 1.234 0.797) 1.469 15.096 ( -4.142 -3.932 -3.774) 6.845 15.394 ( 0.313 2.072 -0.695) 2.207 15.889 ( -4.238 -5.985 4.328) 8.516 16.379 ( 2.727 5.187 0.324) 5.869 16.742 ( -0.447 -8.595 -13.213) 15.769 ======================= Grid point 173 (75/300) ======================= q-point: (-0.64 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -6.642 0.000 -6.065) 8.995 3.326 ( -9.239 0.000 -2.830) 9.663 3.327 ( -3.122 0.000 3.728) 4.863 3.939 ( -4.166 0.000 2.273) 4.746 3.989 ( -0.795 0.000 -2.495) 2.619 4.407 ( 0.460 -0.000 -4.756) 4.778 4.570 ( 1.309 -0.000 0.635) 1.455 4.668 ( 3.770 -0.000 1.576) 4.086 4.824 ( 8.503 -0.000 4.158) 9.466 6.086 ( -3.214 0.000 -4.852) 5.820 6.136 ( -0.301 0.000 -11.370) 11.374 6.442 ( 2.177 -0.000 -6.814) 7.153 6.652 ( -1.502 0.000 10.050) 10.162 7.074 ( -11.861 0.000 0.309) 11.865 7.109 ( -1.569 0.000 -2.393) 2.862 7.792 ( 11.088 -0.000 -7.949) 13.643 7.863 ( -8.289 0.000 7.825) 11.399 8.514 ( 11.890 -0.000 3.582) 12.418 9.406 ( -5.960 0.000 -3.571) 6.948 9.549 ( -0.000 0.000 -1.851) 1.851 9.959 ( -6.909 0.000 10.503) 12.571 10.356 ( -4.457 0.000 0.824) 4.533 10.567 ( 18.264 -0.000 -8.856) 20.298 11.148 ( 7.305 -0.000 -1.875) 7.542 11.933 ( -0.486 0.000 -2.141) 2.195 12.279 ( 2.208 -0.000 4.462) 4.978 12.600 ( -7.989 0.000 7.754) 11.133 12.645 ( -4.755 0.000 2.094) 5.196 13.734 ( 2.979 -0.000 3.317) 4.459 13.777 ( -6.000 0.000 -9.909) 11.584 14.003 ( -2.564 0.000 -11.194) 11.484 15.140 ( 5.875 -0.000 -5.348) 7.945 15.338 ( 1.468 -0.000 1.407) 2.033 15.763 ( -2.961 0.000 5.145) 5.936 16.702 ( 0.756 -0.000 3.680) 3.757 16.748 ( 2.630 -0.000 1.575) 3.066 ======================= Grid point 175 (76/300) ======================= q-point: (-0.55 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -7.900 15.798 -1.527) 17.729 3.129 ( -5.894 12.805 -2.205) 14.268 3.325 ( -4.422 -7.057 3.260) 8.943 3.890 ( -1.324 -0.330 1.193) 1.813 4.020 ( 1.412 -8.173 -4.152) 9.275 4.394 ( 1.668 0.976 -2.676) 3.301 4.601 ( -0.340 -5.528 -0.861) 5.605 4.761 ( 4.873 4.945 4.360) 8.198 5.089 ( 14.240 -9.518 4.651) 17.748 5.962 ( -4.035 9.239 -2.591) 10.409 6.063 ( -2.407 0.098 -8.919) 9.239 6.353 ( -4.779 2.163 -3.966) 6.576 6.722 ( 3.181 -0.480 3.953) 5.096 6.867 ( -10.359 2.166 1.952) 10.762 7.075 ( -1.472 -3.948 -6.363) 7.632 7.815 ( -5.744 -6.294 6.639) 10.802 7.919 ( 6.482 -2.165 -4.997) 8.466 8.713 ( 11.404 2.333 0.261) 11.643 9.294 ( -5.390 -1.493 -2.580) 6.159 9.537 ( -0.124 0.582 -1.465) 1.582 9.890 ( -8.300 1.276 11.295) 14.074 10.302 ( -4.506 -3.770 0.829) 5.933 10.822 ( 19.066 2.590 -9.146) 21.304 11.333 ( 14.507 -2.925 -2.396) 14.992 11.891 ( -2.113 3.541 0.997) 4.242 12.337 ( -1.756 -1.208 6.253) 6.606 12.506 ( -7.744 0.531 3.815) 8.650 12.563 ( -6.262 -3.890 3.058) 7.981 13.590 ( 0.552 16.045 -7.470) 17.707 13.688 ( -7.876 0.683 -0.681) 7.935 14.057 ( 3.776 -12.918 -2.435) 13.677 15.181 ( 6.403 4.246 -7.365) 10.643 15.388 ( 1.161 -3.825 0.219) 4.004 15.730 ( -4.034 0.196 4.626) 6.141 16.695 ( -1.179 3.813 1.097) 4.139 16.823 ( 2.273 -4.228 1.965) 5.187 ======================= Grid point 176 (77/300) ======================= q-point: (-0.45 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -3.738 22.940 5.083) 23.791 2.884 ( -2.542 21.350 0.082) 21.501 3.343 ( -3.089 -5.062 3.645) 6.961 3.891 ( -0.448 -2.059 -0.883) 2.285 4.156 ( 4.919 -13.795 -4.670) 15.373 4.416 ( 3.149 2.394 0.162) 3.959 4.648 ( -1.882 -8.351 0.090) 8.561 4.721 ( -1.050 16.791 4.320) 17.369 5.440 ( 12.141 -6.198 4.385) 14.319 5.781 ( -5.207 5.332 1.971) 7.709 5.961 ( -4.034 -2.564 -6.444) 8.023 6.310 ( 3.609 -2.028 -7.611) 8.664 6.719 ( -2.419 2.974 -1.309) 4.050 6.793 ( -3.699 -2.683 8.249) 9.430 7.076 ( 0.611 -7.015 -9.031) 11.452 7.845 ( -6.103 -11.036 7.931) 14.897 7.999 ( 6.259 -0.159 -6.353) 8.920 8.824 ( 6.512 5.009 -1.438) 8.341 9.256 ( -1.053 -4.064 -0.678) 4.253 9.508 ( -1.388 2.604 -0.086) 2.953 9.797 ( -7.371 2.541 9.099) 11.983 10.297 ( -3.309 -7.707 0.657) 8.413 11.007 ( 14.443 6.781 -7.577) 17.663 11.605 ( 14.427 -1.487 -2.178) 14.666 11.823 ( -1.276 2.395 0.889) 2.856 12.283 ( -10.951 -3.434 0.952) 11.516 12.345 ( -8.568 2.715 5.047) 10.307 12.620 ( 1.532 -5.921 3.756) 7.177 13.434 ( 3.119 15.754 -3.664) 16.472 13.560 ( -4.342 3.440 2.772) 6.194 14.245 ( 3.723 -12.474 1.586) 13.114 15.194 ( 5.619 4.969 -7.318) 10.480 15.431 ( 0.128 -2.897 -1.080) 3.094 15.695 ( -3.765 -2.062 3.619) 5.615 16.619 ( -2.216 5.384 -0.870) 5.887 16.893 ( -0.464 -5.873 -1.637) 6.115 ======================= Grid point 177 (78/300) ======================= q-point: (-0.36 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 2.052 24.986 12.086) 27.831 2.671 ( 2.787 25.542 3.716) 25.961 3.356 ( -0.906 -0.802 3.071) 3.301 3.904 ( -0.447 -3.789 -2.137) 4.373 4.315 ( 1.692 16.292 -3.089) 16.668 4.381 ( 2.968 -3.819 -1.558) 5.081 4.571 ( -1.143 4.473 7.734) 9.007 4.708 ( -0.707 -8.331 0.795) 8.398 5.501 ( -1.203 7.020 1.622) 7.305 5.806 ( -4.610 -10.576 3.233) 11.982 6.010 ( 7.192 -11.027 -2.855) 13.471 6.374 ( 6.930 -0.873 -10.164) 12.333 6.680 ( -3.269 -3.510 3.330) 5.839 6.788 ( -3.511 -0.853 6.540) 7.472 7.111 ( 1.876 -6.565 -10.289) 12.349 7.906 ( -4.146 -10.883 6.770) 13.471 8.071 ( 6.169 -1.008 -5.035) 8.026 8.812 ( -0.072 6.750 -2.035) 7.051 9.314 ( 1.212 -5.255 0.600) 5.426 9.443 ( -1.500 4.511 1.698) 5.048 9.724 ( -3.715 2.202 5.568) 7.046 10.340 ( -1.567 -9.177 -0.307) 9.315 11.082 ( 7.473 7.961 -3.964) 11.616 11.623 ( -3.018 7.264 0.080) 7.867 11.970 ( 14.819 -1.628 -2.749) 15.159 12.047 ( -15.890 -1.485 -2.690) 16.185 12.315 ( -2.160 -3.071 4.685) 6.004 12.684 ( -1.704 -2.897 2.835) 4.397 13.359 ( 5.083 12.880 1.025) 13.885 13.557 ( 4.984 3.994 7.760) 10.050 14.414 ( 2.170 -9.166 3.788) 10.153 15.180 ( 2.552 3.989 -7.133) 8.562 15.436 ( -0.173 -0.509 -1.657) 1.742 15.693 ( -3.163 -5.607 2.541) 6.921 16.529 ( -1.219 5.050 -1.937) 5.545 16.880 ( -4.536 -4.837 -7.398) 9.935 ======================= Grid point 178 (79/300) ======================= q-point: (-0.27 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 7.388 23.103 17.478) 29.896 2.539 ( 7.537 27.102 7.612) 29.142 3.375 ( 2.348 1.055 1.089) 2.796 3.909 ( -2.768 -4.051 -2.063) 5.322 4.031 ( 6.760 36.966 0.743) 37.587 4.542 ( 1.701 -10.368 0.468) 10.517 4.621 ( -0.076 -6.760 3.779) 7.745 4.801 ( 1.856 -7.671 2.042) 8.152 5.407 ( -3.041 6.027 0.171) 6.753 5.839 ( -6.711 -14.649 2.486) 16.304 6.226 ( 4.481 -11.324 -0.774) 12.203 6.398 ( 4.626 3.974 -9.582) 11.358 6.678 ( -5.741 -3.374 7.575) 10.085 6.819 ( 0.478 -6.552 2.983) 7.215 7.126 ( 1.068 -3.620 -10.963) 11.594 8.003 ( 1.357 -8.725 3.663) 9.560 8.155 ( 3.321 -2.847 -1.466) 4.613 8.671 ( -7.029 7.648 -2.447) 10.672 9.299 ( -2.557 2.820 0.827) 3.896 9.498 ( 5.312 -3.480 1.114) 6.447 9.696 ( -0.545 1.126 2.783) 3.051 10.403 ( -0.180 -7.426 -1.596) 7.598 11.056 ( -1.671 6.207 1.554) 6.613 11.511 ( -1.659 5.299 -1.337) 5.711 11.816 ( -8.716 2.705 -1.868) 9.315 12.175 ( 9.359 1.111 -1.522) 9.547 12.350 ( 0.302 -7.082 -0.763) 7.129 12.677 ( -2.418 -0.300 2.610) 3.571 13.357 ( 6.878 12.369 5.064) 15.032 13.699 ( 8.942 4.006 9.461) 13.621 14.527 ( 0.545 -5.055 4.273) 6.641 15.120 ( -1.690 1.345 -6.761) 7.098 15.431 ( 1.190 0.818 -2.061) 2.517 15.716 ( -3.754 -8.005 2.116) 9.091 16.476 ( 1.495 4.038 -1.933) 4.719 16.760 ( -6.828 -2.688 -12.348) 14.364 ======================= Grid point 179 (80/300) ======================= q-point: (-0.18 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 11.177 18.651 20.195) 29.675 2.494 ( 11.816 25.564 9.693) 29.784 3.440 ( 5.885 -0.992 -0.972) 6.046 3.833 ( -1.395 4.802 -3.473) 6.088 3.962 ( 16.506 23.989 3.555) 29.335 4.614 ( -2.476 -3.953 5.569) 7.264 4.711 ( -0.337 -8.694 -0.297) 8.706 4.931 ( 3.002 -9.082 1.258) 9.648 5.287 ( -5.387 4.974 -0.484) 7.348 5.888 ( -7.725 -16.246 3.350) 18.299 6.293 ( -3.189 -2.923 -4.775) 6.443 6.392 ( 1.775 -1.288 -3.959) 4.525 6.662 ( -3.612 -0.931 8.764) 9.525 6.929 ( 1.614 -8.826 1.275) 9.062 7.092 ( 0.321 -1.338 -12.077) 12.155 8.136 ( 2.243 -4.598 -1.148) 5.243 8.183 ( -1.287 -1.307 0.293) 1.858 8.447 ( -9.763 4.392 0.600) 10.723 9.275 ( 3.112 1.784 -1.147) 3.766 9.578 ( 0.600 0.321 1.151) 1.337 9.735 ( 3.882 -2.867 -1.419) 5.030 10.441 ( -0.368 -3.138 -1.843) 3.657 10.937 ( -8.365 5.342 6.376) 11.797 11.481 ( 1.022 -2.245 -0.882) 2.620 11.713 ( 1.897 4.982 -1.347) 5.498 12.221 ( -0.731 -2.040 -1.735) 2.776 12.489 ( 10.717 -2.007 -2.200) 11.123 12.609 ( -7.907 1.299 1.592) 8.170 13.398 ( 8.188 12.310 6.008) 15.959 13.828 ( 6.570 7.376 8.232) 12.858 14.573 ( -1.265 -1.786 2.470) 3.300 15.037 ( -4.082 -1.906 -5.682) 7.251 15.432 ( 1.694 1.805 -1.977) 3.168 15.742 ( -4.639 -9.253 2.463) 10.640 16.476 ( 3.483 4.497 -0.566) 5.716 16.617 ( -3.483 -4.321 -14.101) 15.154 ======================= Grid point 180 (81/300) ======================= q-point: (-0.09 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 11.230 13.074 21.081) 27.229 2.565 ( 17.164 19.412 8.341) 27.222 3.566 ( 5.298 -5.315 -1.258) 7.609 3.762 ( -0.448 1.015 -5.159) 5.277 4.131 ( 26.567 20.317 4.395) 33.733 4.608 ( -6.387 -4.575 4.175) 8.897 4.756 ( 0.273 -0.772 0.474) 0.946 5.075 ( -1.305 -14.763 -0.425) 14.827 5.124 ( -5.511 8.327 0.952) 10.031 5.912 ( -8.262 -11.349 3.295) 14.419 6.209 ( -5.935 -2.615 -4.108) 7.677 6.376 ( -3.625 -2.945 -3.650) 5.927 6.686 ( -0.753 -1.072 8.718) 8.816 7.025 ( 1.372 -2.581 0.618) 2.988 7.043 ( 0.030 -3.842 -11.992) 12.593 7.962 ( -9.974 5.515 -8.696) 14.336 8.231 ( -3.532 -3.812 -0.792) 5.257 8.380 ( -0.407 -1.429 8.516) 8.644 9.347 ( 7.143 0.412 -2.313) 7.519 9.559 ( -0.286 2.686 -0.030) 2.701 9.818 ( 4.448 -2.670 -4.641) 6.961 10.436 ( -0.740 -0.268 -0.978) 1.255 10.774 ( -9.736 5.606 8.178) 13.896 11.577 ( 4.217 -7.666 0.773) 8.784 11.757 ( 8.167 2.299 -1.210) 8.570 12.215 ( 1.923 1.636 -3.996) 4.727 12.384 ( -15.687 4.321 1.054) 16.305 12.687 ( 8.789 -4.828 -0.556) 10.043 13.440 ( 8.396 14.024 3.576) 16.732 13.874 ( 4.361 9.058 6.550) 11.999 14.548 ( -4.097 -1.231 -0.480) 4.304 14.971 ( -3.581 -3.622 -3.615) 6.246 15.425 ( 1.297 3.038 -1.316) 3.556 15.763 ( -5.170 -8.407 3.089) 10.341 16.463 ( 1.472 3.783 -1.575) 4.354 16.616 ( 3.738 -6.965 -10.386) 13.052 ======================= Grid point 186 (82/300) ======================= q-point: (-0.55 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -3.051 0.000 2.690) 4.067 3.114 ( -2.576 0.000 -1.014) 2.768 3.250 ( -2.588 0.000 4.506) 5.197 3.882 ( 0.397 -0.000 -0.416) 0.576 3.983 ( 1.733 -0.000 -3.123) 3.572 4.428 ( 2.569 -0.000 1.515) 2.982 4.563 ( -0.856 0.000 -0.362) 0.929 4.883 ( 3.113 -0.000 1.782) 3.587 5.349 ( 18.851 -0.000 5.778) 19.717 5.889 ( -15.399 0.000 -2.807) 15.652 5.957 ( -0.831 0.000 -2.961) 3.075 6.271 ( -0.046 0.000 -5.896) 5.896 6.727 ( -9.043 0.000 6.876) 11.360 6.808 ( 4.568 -0.000 -1.677) 4.866 6.986 ( -0.767 0.000 -9.692) 9.722 7.721 ( -6.017 0.000 9.850) 11.542 8.002 ( 7.217 -0.000 -7.235) 10.219 8.875 ( 6.838 -0.000 -1.521) 7.005 9.211 ( -1.985 0.000 -0.868) 2.167 9.535 ( -0.108 0.000 -0.391) 0.405 9.831 ( -7.495 0.000 10.639) 13.014 10.213 ( -3.700 0.000 0.055) 3.701 11.082 ( 15.878 -0.000 -8.276) 17.905 11.572 ( 17.623 -0.000 -2.659) 17.823 11.853 ( -5.478 0.000 2.375) 5.971 12.254 ( -15.606 0.000 -1.233) 15.654 12.388 ( -1.653 0.000 8.086) 8.253 12.538 ( -0.068 0.000 3.823) 3.824 13.543 ( -6.972 0.000 -0.104) 6.973 13.704 ( 4.637 -0.000 -2.316) 5.183 14.061 ( 4.515 -0.000 3.095) 5.474 15.264 ( 6.817 -0.000 -9.844) 11.974 15.382 ( 0.008 -0.000 0.700) 0.700 15.677 ( -5.201 0.000 3.954) 6.534 16.689 ( -2.189 0.000 -2.057) 3.004 16.818 ( -0.423 0.000 -0.156) 0.451 ======================= Grid point 188 (83/300) ======================= q-point: (-0.45 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 2.530 15.602 7.704) 17.584 3.048 ( 2.328 12.288 1.323) 12.577 3.286 ( -0.618 -5.716 4.924) 7.570 3.866 ( -0.764 0.642 -2.178) 2.395 4.067 ( 2.598 -12.122 -2.620) 12.671 4.489 ( 2.337 0.973 4.530) 5.190 4.568 ( -0.801 -4.298 0.261) 4.380 4.860 ( -1.313 9.950 1.020) 10.088 5.574 ( -18.360 -0.839 0.501) 18.386 5.698 ( 15.629 0.793 5.859) 16.710 5.940 ( 3.871 1.703 -2.870) 5.111 6.304 ( 5.399 -4.582 -8.749) 11.256 6.645 ( -6.127 -1.128 6.787) 9.213 6.829 ( 0.871 4.715 -0.149) 4.797 6.971 ( 1.881 -7.228 -10.666) 13.021 7.729 ( -3.369 -5.948 9.314) 11.554 8.066 ( 5.508 0.085 -6.069) 8.196 8.904 ( -0.382 2.754 -2.578) 3.791 9.228 ( 2.034 -2.893 0.955) 3.663 9.518 ( -0.808 2.493 0.763) 2.730 9.768 ( -5.156 1.864 7.773) 9.511 10.196 ( -0.966 -4.866 -0.407) 4.977 11.218 ( 7.894 5.054 -5.168) 10.704 11.744 ( -3.141 4.562 0.111) 5.540 11.857 ( 6.468 -6.588 -0.167) 9.233 11.998 ( -8.002 -1.774 -5.340) 9.782 12.383 ( -1.879 6.408 7.828) 10.289 12.574 ( -2.865 -6.907 3.524) 8.267 13.516 ( 4.321 2.226 3.452) 5.962 13.724 ( 5.490 11.781 4.344) 13.704 14.211 ( 3.090 -10.272 5.585) 12.094 15.276 ( 3.929 5.331 -8.852) 11.055 15.397 ( 0.261 -3.500 -2.397) 4.250 15.616 ( -5.564 -2.097 3.256) 6.779 16.611 ( -2.321 3.015 -4.540) 5.924 16.799 ( -3.052 -3.095 -3.815) 5.783 ======================= Grid point 189 (84/300) ======================= q-point: (-0.36 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 6.967 21.194 11.439) 25.071 2.990 ( 7.005 19.451 4.620) 21.184 3.362 ( 1.048 -3.327 3.913) 5.242 3.837 ( -2.053 -2.567 -3.124) 4.535 4.230 ( 2.064 -16.237 -2.684) 16.586 4.479 ( -1.567 7.077 -1.465) 7.395 4.623 ( -0.877 -4.419 5.306) 6.961 4.725 ( -0.182 9.891 3.775) 10.588 5.374 ( -14.010 -11.371 1.524) 18.109 5.783 ( 3.596 11.058 1.551) 11.731 6.112 ( 12.781 -1.802 -0.226) 12.909 6.393 ( 5.295 -5.012 -10.436) 12.731 6.626 ( -3.242 -1.744 9.207) 9.915 6.782 ( -0.927 2.678 -0.577) 2.892 7.024 ( 2.367 -6.971 -9.599) 12.098 7.824 ( 0.482 -8.848 7.426) 11.561 8.118 ( 3.443 -1.108 -3.066) 4.741 8.784 ( -8.045 4.196 -3.313) 9.659 9.310 ( 2.517 -1.915 1.419) 3.466 9.486 ( 1.015 2.520 0.312) 2.734 9.727 ( -2.053 1.584 4.519) 5.210 10.259 ( 1.743 -6.881 -0.623) 7.126 11.184 ( -2.949 6.769 0.039) 7.384 11.608 ( -8.221 3.827 -1.254) 9.154 11.770 ( -6.957 -5.538 -2.632) 9.274 12.181 ( 14.823 -2.702 -4.097) 15.614 12.307 ( -3.257 5.680 4.550) 7.973 12.616 ( -2.433 -6.419 4.914) 8.442 13.606 ( 7.961 11.345 5.582) 14.941 13.783 ( 8.713 6.046 10.702) 15.067 14.383 ( 1.605 -9.599 6.811) 11.879 15.191 ( -1.577 5.839 -8.484) 10.419 15.423 ( 2.095 -2.426 -5.316) 6.208 15.578 ( -5.638 -5.614 2.489) 8.336 16.533 ( -0.441 1.875 -5.284) 5.624 16.723 ( -4.690 -1.202 -7.511) 8.936 ======================= Grid point 190 (85/300) ======================= q-point: (-0.27 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 9.822 20.589 13.634) 26.576 2.959 ( 9.268 22.666 7.286) 25.548 3.424 ( 2.296 -1.208 1.378) 2.938 3.805 ( -2.803 -2.859 -3.846) 5.552 4.356 ( 2.860 10.943 -2.981) 11.697 4.391 ( 0.231 -15.150 -2.027) 15.286 4.658 ( -1.411 -1.097 8.474) 8.661 4.752 ( 0.679 -5.287 2.013) 5.698 5.308 ( -9.342 -11.149 1.655) 14.640 5.734 ( 1.153 7.520 0.721) 7.642 6.254 ( 4.979 2.432 -3.417) 6.510 6.432 ( 3.489 -0.062 -8.953) 9.609 6.661 ( -1.518 0.728 11.579) 11.700 6.783 ( 1.372 -5.099 -0.247) 5.286 7.051 ( 1.235 -3.511 -9.561) 10.260 7.987 ( 3.958 -9.383 4.368) 11.081 8.156 ( -0.169 -1.713 0.236) 1.737 8.539 ( -13.649 4.369 -3.226) 14.689 9.330 ( 2.529 3.566 -0.653) 4.420 9.537 ( 2.924 -3.016 -0.864) 4.289 9.725 ( 1.344 0.630 1.831) 2.357 10.356 ( 2.586 -5.433 -0.586) 6.045 11.033 ( -9.189 4.866 4.917) 11.502 11.438 ( -9.606 -3.071 -0.847) 10.121 11.761 ( 3.664 0.581 -3.060) 4.809 12.229 ( -0.934 4.410 2.688) 5.249 12.408 ( 9.585 -4.290 -2.341) 10.759 12.647 ( -2.378 -0.873 3.393) 4.234 13.636 ( 6.063 12.904 9.398) 17.076 13.952 ( 8.558 5.320 10.531) 14.575 14.507 ( 0.123 -5.129 5.872) 7.798 15.041 ( -4.821 2.710 -8.920) 10.496 15.449 ( 2.690 -1.283 -5.993) 6.693 15.563 ( -5.487 -8.130 1.758) 9.964 16.507 ( 1.658 -1.123 -6.827) 7.115 16.604 ( -2.846 2.495 -6.877) 7.849 ======================= Grid point 191 (86/300) ======================= q-point: (-0.18 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 8.956 16.546 14.917) 24.010 2.951 ( 10.644 20.772 6.436) 24.211 3.486 ( 2.373 -3.205 -0.055) 3.989 3.765 ( -0.384 -0.499 -4.959) 4.999 4.378 ( 7.556 2.707 -1.438) 8.154 4.473 ( -2.399 -8.351 0.695) 8.717 4.723 ( 1.681 -3.523 5.946) 7.113 4.818 ( -2.117 -8.915 -0.023) 9.163 5.270 ( -3.629 -0.882 0.864) 3.833 5.701 ( -2.585 -2.519 1.005) 3.747 6.210 ( -2.150 4.308 -4.515) 6.600 6.409 ( 1.394 3.766 -7.143) 8.195 6.682 ( -0.975 0.402 5.780) 5.875 6.903 ( 3.026 -6.466 4.269) 8.318 7.033 ( 1.145 -0.799 -8.307) 8.423 8.051 ( -9.086 3.194 -6.482) 11.609 8.139 ( -2.181 -5.635 1.038) 6.131 8.343 ( -3.806 -1.995 6.276) 7.606 9.370 ( 7.095 2.115 -2.750) 7.898 9.567 ( -0.935 -1.357 -1.283) 2.089 9.786 ( 5.202 -0.931 -1.485) 5.489 10.420 ( 1.274 -1.595 -0.183) 2.050 10.865 ( -10.776 3.851 8.128) 14.036 11.390 ( -2.985 -10.658 -0.093) 11.068 11.818 ( 6.393 3.104 -1.224) 7.211 12.210 ( 1.179 2.540 0.161) 2.805 12.542 ( -3.496 4.851 -1.507) 6.166 12.587 ( 2.585 -3.099 3.279) 5.200 13.677 ( 5.837 10.801 8.278) 14.808 14.048 ( 4.592 8.469 8.614) 12.924 14.522 ( -4.648 -0.827 0.668) 4.768 14.918 ( -3.502 -1.845 -6.127) 7.294 15.468 ( 2.642 0.160 -4.534) 5.250 15.577 ( -4.410 -9.647 1.759) 10.752 16.478 ( -0.912 -2.174 -10.591) 10.850 16.577 ( 5.107 2.544 -0.938) 5.782 ======================= Grid point 192 (87/300) ======================= q-point: (-0.09 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 1.537 9.498 12.238) 15.567 3.015 ( 13.542 13.605 4.323) 19.677 3.542 ( -0.899 -3.714 1.226) 4.013 3.769 ( 4.064 -0.735 -4.974) 6.465 4.397 ( -4.864 -4.501 -0.329) 6.636 4.593 ( 5.695 -5.264 -0.501) 7.771 4.800 ( 1.956 4.074 6.872) 8.224 4.860 ( 0.064 -8.981 -3.567) 9.664 5.220 ( 0.993 5.834 0.019) 5.918 5.717 ( -3.794 -11.029 0.460) 11.672 6.080 ( -4.989 5.711 -3.207) 8.233 6.345 ( 0.018 3.246 -4.514) 5.560 6.671 ( -3.182 -2.443 -4.029) 5.685 6.988 ( 0.860 -0.163 3.059) 3.181 7.049 ( 2.415 -1.292 0.488) 2.782 7.791 ( -7.998 2.931 -10.116) 13.225 8.101 ( -7.008 -2.179 1.983) 7.602 8.434 ( 2.552 -2.754 8.115) 8.942 9.468 ( 7.120 1.758 -2.170) 7.649 9.549 ( -0.139 -1.650 -2.824) 3.274 9.875 ( 6.515 -0.414 -3.721) 7.514 10.425 ( -1.164 1.588 0.735) 2.102 10.710 ( -9.223 3.281 8.700) 13.096 11.532 ( 3.989 -15.481 0.294) 15.990 11.881 ( 4.253 1.960 0.057) 4.683 12.161 ( -6.874 6.760 0.240) 9.644 12.351 ( -0.114 10.453 -3.747) 11.105 12.729 ( 2.223 -7.376 4.981) 9.173 13.687 ( 3.408 10.403 2.883) 11.320 14.059 ( 3.195 9.656 5.177) 11.413 14.409 ( -8.735 -3.065 -3.032) 9.741 14.892 ( -0.155 -2.545 -2.147) 3.333 15.479 ( 2.819 2.943 -1.965) 4.524 15.612 ( -3.985 -9.363 2.185) 10.408 16.450 ( 1.199 -2.353 -7.064) 7.541 16.649 ( 5.745 1.067 -1.400) 6.008 ======================= Grid point 199 (88/300) ======================= q-point: ( 0.55 -0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 7.559 -0.000 8.877) 11.660 3.198 ( 7.288 -0.000 2.554) 7.722 3.281 ( 0.370 -0.000 5.470) 5.483 3.826 ( -3.166 0.000 -2.980) 4.348 4.035 ( 2.997 -0.000 -1.508) 3.355 4.522 ( -1.793 0.000 -1.805) 2.544 4.558 ( 0.221 -0.000 6.983) 6.987 4.870 ( -3.298 0.000 1.175) 3.501 5.221 ( -19.963 0.000 1.083) 19.993 6.000 ( 4.395 -0.000 -0.226) 4.401 6.063 ( 18.660 -0.000 5.404) 19.427 6.305 ( 4.784 -0.000 -12.210) 13.114 6.610 ( -2.948 0.000 10.261) 10.676 6.871 ( 1.888 -0.000 -14.541) 14.663 6.896 ( 1.226 -0.000 0.940) 1.545 7.728 ( 0.084 -0.000 9.365) 9.365 8.108 ( 3.141 -0.000 -3.813) 4.940 8.825 ( -8.571 0.000 -3.693) 9.332 9.282 ( 4.954 -0.000 1.724) 5.246 9.523 ( -0.690 0.000 0.079) 0.694 9.745 ( -3.229 0.000 5.574) 6.441 10.184 ( 2.740 -0.000 -0.721) 2.833 11.266 ( -3.760 0.000 -0.626) 3.812 11.620 ( -17.376 0.000 -0.832) 17.396 11.721 ( 0.993 -0.000 -2.729) 2.904 12.146 ( 15.782 -0.000 -4.941) 16.538 12.451 ( -5.620 0.000 1.717) 5.877 12.473 ( -0.176 0.000 10.469) 10.470 13.700 ( 11.044 -0.000 7.134) 13.147 13.905 ( 5.008 -0.000 6.887) 8.515 14.244 ( 2.661 -0.000 9.824) 10.178 15.315 ( 2.494 -0.000 -14.385) 14.600 15.328 ( -2.841 0.000 -2.484) 3.774 15.530 ( -5.123 0.000 3.803) 6.381 16.549 ( -2.011 0.000 -7.499) 7.764 16.712 ( -2.929 0.000 -4.559) 5.419 ======================= Grid point 201 (89/300) ======================= q-point: (-0.36 0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 9.076 15.387 9.091) 20.044 3.301 ( 8.523 11.230 5.063) 14.979 3.361 ( 1.318 -5.776 4.283) 7.310 3.764 ( -1.401 -1.050 -4.636) 4.956 4.125 ( 1.881 -9.834 -0.661) 10.034 4.442 ( -4.885 1.012 -4.479) 6.704 4.574 ( -4.319 -3.861 3.966) 7.021 4.800 ( -1.839 5.553 4.688) 7.496 5.034 ( -11.362 -12.480 2.815) 17.110 5.998 ( 4.795 14.557 -0.361) 15.330 6.314 ( 0.519 -6.584 -11.489) 13.252 6.360 ( 13.599 1.730 2.094) 13.868 6.665 ( 1.385 -0.272 12.665) 12.744 6.789 ( 0.985 4.114 -10.708) 11.513 6.959 ( 2.322 -5.414 -4.121) 7.189 7.833 ( 3.382 -5.227 8.227) 10.317 8.130 ( 0.474 -0.784 -0.284) 0.959 8.596 ( -14.954 1.575 -4.494) 15.694 9.379 ( 5.276 1.054 0.529) 5.406 9.507 ( 0.313 -0.086 -1.665) 1.697 9.736 ( -0.237 0.339 2.867) 2.897 10.264 ( 4.777 -3.185 -0.113) 5.742 11.114 ( -11.921 3.111 4.081) 12.979 11.367 ( -14.217 -3.239 -1.145) 14.626 11.770 ( 6.874 0.487 -4.126) 8.032 12.339 ( 5.237 1.120 1.474) 5.555 12.363 ( 2.368 3.937 0.562) 4.629 12.573 ( 0.642 -5.382 6.995) 8.849 13.851 ( 4.506 7.793 8.133) 12.132 14.021 ( 6.574 1.982 10.365) 12.433 14.398 ( 4.452 -4.955 11.140) 12.980 15.141 ( -5.552 7.305 -12.175) 15.245 15.321 ( -3.178 -9.276 -8.814) 13.185 15.508 ( -0.035 -0.091 1.965) 1.967 16.486 ( -0.609 -0.690 -7.732) 7.787 16.647 ( -0.833 1.332 -4.629) 4.888 ======================= Grid point 202 (90/300) ======================= q-point: (-0.27 0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 5.159 15.936 9.308) 19.163 3.317 ( 5.978 16.536 5.473) 18.416 3.434 ( 0.740 -2.821 1.693) 3.372 3.753 ( 2.287 -0.423 -5.388) 5.869 4.234 ( -1.706 -11.295 0.168) 11.424 4.374 ( -0.380 -4.298 -4.284) 6.080 4.573 ( -2.475 -8.407 -0.254) 8.768 4.788 ( -0.219 1.410 6.636) 6.788 5.058 ( -4.524 -14.148 3.626) 15.290 5.884 ( 0.219 15.090 -4.271) 15.685 6.293 ( -0.497 -0.249 -6.502) 6.526 6.488 ( 6.519 5.533 -3.822) 9.366 6.706 ( -0.106 2.312 -5.991) 6.423 6.812 ( 4.352 -2.651 12.631) 13.620 7.003 ( 1.755 -2.325 -5.610) 6.321 8.001 ( 3.805 -6.238 5.215) 8.977 8.103 ( -6.899 0.494 -2.613) 7.393 8.320 ( -11.125 -0.395 1.303) 11.208 9.423 ( 4.932 3.261 -2.699) 6.500 9.528 ( 0.520 -2.382 -1.856) 3.064 9.774 ( 3.846 -0.474 0.260) 3.884 10.374 ( 4.322 -2.865 0.555) 5.215 10.919 ( -12.772 1.849 7.804) 15.081 11.221 ( -7.343 -6.368 -1.070) 9.778 11.867 ( 8.144 2.044 -2.675) 8.813 12.308 ( 1.464 6.544 2.984) 7.340 12.476 ( 3.146 -4.118 3.057) 6.017 12.628 ( -1.629 0.348 2.887) 3.333 13.850 ( -0.228 7.401 9.200) 11.810 14.156 ( 4.443 2.398 9.902) 11.115 14.538 ( 1.338 2.328 6.775) 7.288 14.912 ( -6.074 1.657 -11.567) 13.169 15.316 ( -2.794 -11.370 -7.947) 14.150 15.533 ( 2.362 1.010 0.338) 2.591 16.447 ( -0.092 -0.972 -7.796) 7.857 16.628 ( 3.462 2.158 -2.388) 4.727 ======================= Grid point 203 (91/300) ======================= q-point: (-0.18 0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( -6.558 9.819 6.886) 13.669 3.278 ( 5.109 13.326 1.490) 14.349 3.481 ( 0.203 -2.562 2.671) 3.707 3.776 ( 4.575 1.405 -4.489) 6.562 4.280 ( -2.460 -7.407 1.028) 7.872 4.452 ( 3.503 -7.388 -2.441) 8.533 4.664 ( 2.344 -10.821 -2.579) 11.368 4.826 ( 0.822 -0.898 6.191) 6.310 5.173 ( 1.232 -10.919 2.932) 11.373 5.687 ( -5.689 8.406 -7.428) 12.578 6.235 ( 0.046 6.144 -3.855) 7.254 6.443 ( 0.358 7.880 -5.786) 9.783 6.644 ( -2.673 -0.248 -7.799) 8.248 6.980 ( 3.644 -1.141 13.973) 14.486 7.017 ( 1.907 -1.499 -3.602) 4.342 7.848 ( -10.824 2.831 -9.850) 14.906 8.073 ( -2.322 -0.659 3.988) 4.662 8.352 ( 2.567 -5.409 8.669) 10.536 9.479 ( 5.379 -0.756 -4.618) 7.130 9.524 ( -0.860 -0.462 -1.324) 1.645 9.862 ( 6.302 -0.816 -1.927) 6.641 10.451 ( 2.609 0.462 1.011) 2.836 10.748 ( -12.197 1.127 9.757) 15.660 11.262 ( 2.531 -11.460 -0.862) 11.767 11.939 ( 4.043 3.696 0.032) 5.478 12.301 ( 3.055 7.363 1.178) 8.058 12.531 ( -3.408 7.288 -2.107) 8.316 12.585 ( -0.947 -6.845 8.140) 10.677 13.818 ( -3.583 3.099 6.944) 8.406 14.232 ( 3.752 6.911 7.560) 10.908 14.397 ( -10.651 3.525 -7.232) 13.349 14.857 ( 1.889 -1.000 -2.295) 3.136 15.369 ( -0.629 -12.263 -3.527) 12.776 15.562 ( 2.797 2.265 0.056) 3.599 16.417 ( 0.683 -0.880 -6.560) 6.654 16.684 ( 6.122 1.871 -0.837) 6.456 ======================= Grid point 204 (92/300) ======================= q-point: (-0.09 -0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -13.472 1.190 1.739) 13.636 3.220 ( -5.404 1.718 -0.187) 5.673 3.517 ( 1.165 -0.215 3.671) 3.857 3.826 ( 6.173 2.565 -3.272) 7.442 4.350 ( 5.233 -1.945 0.208) 5.587 4.512 ( -3.328 -3.327 0.405) 4.723 4.787 ( 2.192 -9.245 -2.787) 9.902 4.905 ( 1.980 -4.262 3.252) 5.715 5.255 ( -1.303 3.508 -1.804) 4.154 5.560 ( -0.981 -10.371 -4.667) 11.415 6.108 ( -2.240 12.481 -4.247) 13.373 6.341 ( -2.633 1.298 -4.180) 5.108 6.534 ( -3.370 0.611 -8.750) 9.397 7.057 ( 2.759 -0.915 -0.167) 2.911 7.102 ( 2.945 1.540 10.628) 11.135 7.686 ( 0.258 1.051 -9.896) 9.955 8.028 ( -3.414 2.889 3.640) 5.767 8.493 ( 2.344 -3.363 8.808) 9.715 9.492 ( -1.640 -2.463 -2.183) 3.677 9.561 ( 3.892 -1.466 -3.370) 5.353 9.970 ( 8.245 -0.375 -3.617) 9.011 10.435 ( -3.449 5.303 3.688) 7.323 10.635 ( -6.947 -0.578 7.794) 10.456 11.485 ( 9.609 -14.263 -1.065) 17.231 11.916 ( -2.951 3.085 0.192) 4.274 12.170 ( -6.330 16.053 -0.092) 17.256 12.463 ( 5.590 5.694 -1.470) 8.113 12.692 ( -1.659 -8.421 8.555) 12.118 13.741 ( -5.320 2.437 0.990) 5.935 14.083 ( -13.164 0.839 -6.100) 14.533 14.318 ( 4.186 4.259 2.525) 6.483 14.893 ( 2.796 0.021 -1.473) 3.161 15.466 ( -0.195 -9.992 1.082) 10.052 15.580 ( 2.995 3.795 -0.178) 4.838 16.418 ( 1.533 -2.308 -4.757) 5.506 16.761 ( 5.820 2.846 -0.006) 6.479 ======================= Grid point 212 (93/300) ======================= q-point: ( 0.64 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( -4.122 0.000 3.092) 5.152 3.349 ( 7.004 -0.000 7.285) 10.106 3.499 ( 4.245 -0.000 4.696) 6.330 3.755 ( 4.753 -0.000 -6.495) 8.049 4.098 ( 0.227 -0.000 1.471) 1.488 4.326 ( -3.683 0.000 -5.043) 6.245 4.475 ( -3.684 0.000 -1.618) 4.024 4.851 ( -5.805 0.000 5.734) 8.159 4.863 ( 1.649 -0.000 5.593) 5.831 6.123 ( -6.611 0.000 -13.989) 15.472 6.189 ( 5.501 -0.000 1.097) 5.609 6.561 ( 6.900 -0.000 1.124) 6.991 6.746 ( 1.235 -0.000 -16.917) 16.962 6.793 ( 4.479 -0.000 14.352) 15.035 6.969 ( 3.006 -0.000 -1.606) 3.408 7.930 ( 5.537 -0.000 8.462) 10.112 8.105 ( -4.770 0.000 -1.120) 4.900 8.319 ( -14.280 0.000 -1.211) 14.332 9.479 ( 4.928 -0.000 -0.877) 5.005 9.484 ( -0.179 0.000 -3.743) 3.747 9.769 ( 3.167 -0.000 0.740) 3.252 10.341 ( 5.580 -0.000 0.843) 5.644 10.936 ( -14.241 0.000 7.656) 16.169 11.161 ( -7.520 0.000 -1.490) 7.666 11.888 ( 9.161 -0.000 -3.404) 9.773 12.397 ( 0.443 -0.000 2.390) 2.430 12.426 ( 1.080 -0.000 5.900) 5.998 12.614 ( 2.085 -0.000 3.853) 4.381 13.930 ( -5.398 0.000 8.464) 10.038 14.166 ( 5.236 -0.000 9.171) 10.561 14.568 ( 7.304 -0.000 13.684) 15.511 14.957 ( -10.314 0.000 -17.253) 20.101 15.173 ( -1.852 0.000 -8.286) 8.491 15.544 ( 3.137 -0.000 -0.387) 3.161 16.438 ( 0.101 -0.000 -6.245) 6.245 16.649 ( 3.033 -0.000 -3.315) 4.493 ======================= Grid point 214 (94/300) ======================= q-point: (-0.27 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -12.771 5.338 1.902) 13.972 3.411 ( -6.472 -0.823 5.377) 8.454 3.507 ( 0.976 5.480 -1.109) 5.675 3.818 ( 8.867 2.396 -4.399) 10.184 4.155 ( 2.765 -4.414 2.207) 5.657 4.351 ( 6.620 -2.786 -2.922) 7.754 4.479 ( 1.461 -7.100 -3.277) 7.955 4.806 ( -3.137 -0.578 5.399) 6.271 4.992 ( 5.941 -5.765 5.517) 9.948 5.855 ( -10.722 6.252 -14.219) 18.874 6.267 ( 1.834 -0.771 -2.157) 2.934 6.586 ( -1.384 4.192 -2.179) 4.923 6.664 ( 0.552 2.070 -12.386) 12.570 6.948 ( 4.441 -1.373 6.605) 8.077 7.005 ( 1.843 -0.088 5.306) 5.618 7.889 ( -11.839 1.258 -9.970) 15.529 8.075 ( 4.700 0.524 7.232) 8.640 8.257 ( -0.315 -3.558 9.141) 9.814 9.463 ( 0.717 -0.467 -4.699) 4.776 9.518 ( 0.556 -0.339 -2.093) 2.191 9.851 ( 6.581 -0.244 -0.947) 6.654 10.439 ( 4.600 -0.968 1.521) 4.941 10.765 ( -12.540 0.614 10.201) 16.177 11.120 ( 2.081 -3.607 -1.827) 4.547 12.001 ( 6.082 2.151 -1.041) 6.535 12.414 ( 3.528 3.936 2.287) 5.759 12.473 ( -2.547 -3.716 8.698) 9.795 12.628 ( -1.877 2.254 1.473) 3.282 13.832 ( -11.029 -0.397 8.365) 13.847 14.296 ( 5.340 1.154 7.255) 9.082 14.522 ( -13.202 6.043 -10.746) 18.064 14.858 ( 5.663 0.976 3.338) 6.646 15.153 ( 0.467 -8.519 -7.753) 11.529 15.595 ( 3.827 0.958 -0.714) 4.009 16.412 ( 0.245 0.031 -4.594) 4.601 16.709 ( 6.333 0.684 -2.079) 6.700 ======================= Grid point 215 (95/300) ======================= q-point: (-0.18 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -20.305 2.724 -0.722) 20.500 3.206 ( -18.607 -2.530 -0.738) 18.793 3.528 ( 3.320 0.764 2.096) 4.000 3.923 ( 11.236 7.067 -3.802) 13.808 4.299 ( 8.604 -3.040 1.866) 9.314 4.461 ( 3.516 -1.846 -0.968) 4.088 4.582 ( 1.209 -10.544 -2.127) 10.825 4.808 ( -3.212 -5.205 3.217) 6.911 5.229 ( 12.365 -4.107 4.164) 13.678 5.514 ( -13.706 2.840 -14.770) 20.349 6.238 ( -1.042 1.638 -7.486) 7.733 6.425 ( -9.019 5.591 -3.229) 11.091 6.593 ( 1.730 5.119 -6.089) 8.141 7.007 ( 1.681 -3.318 -2.107) 4.275 7.136 ( 5.008 1.350 13.268) 14.246 7.705 ( -1.571 0.891 -10.177) 10.336 8.119 ( 1.021 6.339 6.149) 8.890 8.399 ( 3.347 -6.225 9.129) 11.545 9.445 ( -1.465 -1.579 -3.807) 4.374 9.516 ( -0.352 -3.343 -3.085) 4.562 9.967 ( 8.396 0.190 -1.947) 8.621 10.507 ( 1.459 1.084 2.076) 2.759 10.628 ( -10.086 1.085 10.802) 14.818 11.274 ( 10.826 -7.739 -2.295) 13.505 11.999 ( -2.245 4.899 0.619) 5.425 12.438 ( 0.871 10.784 1.486) 10.920 12.524 ( -5.643 -5.955 11.741) 14.324 12.560 ( 3.931 2.268 -2.128) 5.013 13.704 ( -12.743 -5.006 7.672) 15.694 14.138 ( -16.162 4.652 -15.637) 22.965 14.397 ( 5.116 2.876 4.694) 7.515 14.931 ( 4.897 4.274 -0.298) 6.507 15.259 ( 2.234 -11.209 0.222) 11.431 15.640 ( 4.039 2.266 -0.689) 4.682 16.394 ( 0.200 -0.414 -3.223) 3.256 16.805 ( 7.357 1.611 -1.428) 7.665 ======================= Grid point 216 (96/300) ======================= q-point: (-0.09 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -23.385 -3.841 -2.715) 23.853 2.893 ( -24.167 -8.068 -1.988) 25.556 3.603 ( 4.749 0.601 2.702) 5.497 3.989 ( 7.377 8.417 -2.455) 11.458 4.456 ( -0.307 1.718 -3.400) 3.822 4.473 ( 4.087 -1.781 2.272) 5.003 4.615 ( -13.007 -13.007 -2.806) 18.607 4.856 ( 0.737 -8.925 1.780) 9.131 5.151 ( -7.133 3.486 -9.841) 12.645 5.588 ( 15.371 -4.865 1.683) 16.210 6.146 ( -0.310 3.347 -9.324) 9.912 6.234 ( -3.698 4.740 -5.319) 8.027 6.555 ( 2.669 6.448 -0.675) 7.011 7.064 ( 2.068 -3.959 -0.772) 4.532 7.255 ( 4.590 3.474 8.030) 9.880 7.692 ( 5.725 -0.156 -8.308) 10.091 8.088 ( 0.981 8.000 4.035) 9.014 8.541 ( 1.111 -3.842 9.268) 10.094 9.423 ( -1.705 -3.611 -2.069) 4.498 9.524 ( -1.621 -4.847 -3.694) 6.306 10.093 ( 8.248 0.151 -2.331) 8.573 10.453 ( -4.675 7.148 7.232) 11.191 10.566 ( -4.570 -1.680 4.800) 6.837 11.562 ( 14.076 -11.398 -3.156) 18.385 11.867 ( -6.652 5.435 -0.711) 8.620 12.238 ( -5.029 18.124 -0.231) 18.810 12.528 ( -5.088 -3.353 9.128) 10.975 12.699 ( 7.815 -1.398 1.841) 8.150 13.603 ( -10.891 -6.254 5.801) 13.834 13.767 ( -15.395 -0.326 -14.178) 20.932 14.463 ( 4.448 3.918 2.314) 6.363 14.958 ( 4.375 3.486 -2.927) 6.313 15.396 ( 0.982 -8.638 3.717) 9.455 15.677 ( 4.369 3.516 -0.628) 5.644 16.394 ( 0.180 -2.177 -2.023) 2.978 16.888 ( 6.231 3.316 -0.920) 7.118 ======================= Grid point 225 (97/300) ======================= q-point: (-0.27 -0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -22.996 0.000 -1.668) 23.057 3.170 ( -21.781 0.000 -0.327) 21.783 3.535 ( 2.284 -0.000 1.330) 2.643 4.021 ( 14.715 -0.000 -5.299) 15.640 4.258 ( 8.559 -0.000 1.641) 8.715 4.447 ( 0.806 -0.000 -2.603) 2.725 4.460 ( 6.507 -0.000 0.450) 6.522 4.751 ( -5.659 0.000 3.695) 6.758 5.187 ( 16.244 -0.000 4.833) 16.948 5.550 ( -17.216 0.000 -17.501) 24.549 6.247 ( -1.307 0.000 -8.337) 8.439 6.478 ( -10.077 0.000 -1.540) 10.194 6.660 ( 3.325 -0.000 -5.528) 6.451 6.966 ( 0.987 -0.000 -2.974) 3.134 7.148 ( 5.589 -0.000 13.429) 14.545 7.715 ( -2.451 0.000 -10.474) 10.757 8.228 ( 6.120 -0.000 7.376) 9.585 8.293 ( 0.797 -0.000 9.743) 9.775 9.441 ( 0.443 -0.000 -4.792) 4.813 9.466 ( -4.264 0.000 -2.901) 5.157 9.971 ( 8.479 -0.000 -1.200) 8.564 10.503 ( 2.118 -0.000 1.942) 2.873 10.651 ( -9.489 0.000 11.587) 14.976 11.199 ( 10.885 -0.000 -2.984) 11.287 12.058 ( -0.955 0.000 0.156) 0.968 12.438 ( -5.740 0.000 11.695) 13.028 12.539 ( 8.386 -0.000 0.636) 8.410 12.610 ( -2.971 0.000 1.197) 3.203 13.640 ( -16.316 0.000 8.676) 18.479 14.194 ( -17.122 0.000 -18.259) 25.031 14.422 ( 4.933 -0.000 4.467) 6.655 15.039 ( 6.447 -0.000 11.177) 12.903 15.082 ( 3.003 -0.000 -9.864) 10.311 15.662 ( 4.234 -0.000 -0.752) 4.301 16.392 ( -0.436 0.000 -2.381) 2.420 16.820 ( 8.029 -0.000 -2.291) 8.349 ======================= Grid point 226 (98/300) ======================= q-point: (-0.18 -0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -27.881 -0.404 -3.227) 28.070 2.774 ( -27.209 -3.754 -1.371) 27.501 3.606 ( 4.915 -0.026 2.252) 5.406 4.164 ( 10.159 8.787 -5.565) 14.539 4.379 ( -15.246 -7.031 -3.263) 17.104 4.405 ( 4.519 -4.553 -0.040) 6.415 4.535 ( 1.654 2.558 1.389) 3.348 4.701 ( -3.568 -6.047 0.971) 7.087 5.200 ( -7.408 1.363 -13.717) 15.649 5.533 ( 20.761 -1.203 3.528) 21.093 6.147 ( -2.917 -0.360 -12.740) 13.075 6.336 ( -2.806 3.010 -1.148) 4.272 6.684 ( 3.905 5.376 0.532) 6.666 6.982 ( 1.203 -3.673 -2.662) 4.692 7.298 ( 4.966 1.097 8.806) 10.169 7.688 ( 5.208 -0.157 -8.247) 9.756 8.265 ( 1.928 9.810 6.264) 11.798 8.433 ( 2.082 -7.480 8.373) 11.419 9.371 ( -4.407 -1.481 -2.714) 5.384 9.437 ( -0.577 -3.157 -4.249) 5.325 10.099 ( 7.403 0.248 -0.535) 7.427 10.523 ( -1.390 -0.520 1.841) 2.365 10.574 ( -6.123 2.892 10.926) 12.855 11.409 ( 13.320 -4.354 -4.070) 14.592 11.968 ( -6.804 4.010 -0.531) 7.916 12.432 ( -6.514 -4.225 12.535) 14.745 12.524 ( -1.813 9.554 0.242) 9.727 12.692 ( 9.102 0.042 -0.339) 9.108 13.449 ( -15.832 -6.585 9.759) 19.730 13.806 ( -15.802 2.059 -17.291) 23.514 14.505 ( 3.368 0.856 2.304) 4.169 15.055 ( 5.038 5.977 -4.860) 9.205 15.235 ( 3.454 -7.685 6.227) 10.477 15.723 ( 4.421 1.246 -0.739) 4.652 16.370 ( -1.200 -0.488 -1.047) 1.666 16.931 ( 7.690 1.180 -3.059) 8.360 ======================= Grid point 227 (99/300) ======================= q-point: (-0.09 -0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -28.929 -5.634 -2.889) 29.614 2.353 ( -29.886 -8.242 -1.269) 31.028 3.711 ( 6.004 0.390 2.256) 6.426 3.944 ( -39.276 -13.912 -4.027) 41.861 4.132 ( -5.138 9.042 0.741) 10.426 4.465 ( 1.179 5.753 -6.863) 9.032 4.517 ( 1.726 -7.335 -3.371) 8.255 4.778 ( 2.583 -9.218 -0.771) 9.605 5.217 ( 13.554 3.756 -3.381) 14.465 5.874 ( 16.444 1.494 3.926) 16.972 6.039 ( -1.262 -1.397 -13.394) 13.526 6.330 ( 7.181 5.712 -0.838) 9.214 6.693 ( 5.273 8.550 1.168) 10.112 7.049 ( 2.257 -5.613 -0.350) 6.060 7.379 ( 3.069 2.535 2.908) 4.930 7.774 ( 9.326 0.148 -6.037) 11.110 8.214 ( 0.522 9.330 3.398) 9.943 8.547 ( -1.813 -5.260 8.410) 10.084 9.335 ( -2.543 -5.639 -1.636) 6.398 9.430 ( -1.273 -2.876 -3.273) 4.539 10.182 ( 1.761 0.473 1.865) 2.608 10.495 ( -3.573 -0.876 1.228) 3.878 10.527 ( -0.020 5.896 7.017) 9.165 11.609 ( 3.910 -6.687 -4.011) 8.723 11.817 ( -3.128 1.380 -3.261) 4.725 12.294 ( -10.833 11.162 5.386) 16.461 12.514 ( 5.099 3.980 4.970) 8.157 12.804 ( 1.968 -3.151 -0.396) 3.735 13.365 ( -9.618 -8.393 3.389) 13.207 13.490 ( -9.866 0.846 -7.411) 12.369 14.544 ( 1.496 1.028 1.032) 2.088 15.061 ( 5.336 5.345 -4.561) 8.823 15.371 ( 1.165 -6.165 5.127) 8.103 15.775 ( 4.432 2.339 -0.301) 5.020 16.355 ( -1.581 -2.165 -0.236) 2.691 17.007 ( 6.090 2.602 -3.542) 7.511 ======================= Grid point 237 (100/300) ======================= q-point: (-0.18 -0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -31.225 0.000 -3.044) 31.373 2.272 ( -30.972 0.000 -0.145) 30.972 3.714 ( 6.355 -0.000 2.416) 6.799 3.796 ( -43.851 0.000 -5.121) 44.149 4.331 ( 6.099 -0.000 -7.621) 9.761 4.336 ( -10.589 0.000 5.655) 12.005 4.551 ( -2.245 0.000 -9.582) 9.842 4.663 ( 8.828 -0.000 0.422) 8.838 5.252 ( 14.923 -0.000 -4.082) 15.471 5.889 ( 17.508 -0.000 4.191) 18.003 6.028 ( -0.611 0.000 -13.209) 13.223 6.383 ( 6.600 -0.000 -0.510) 6.620 6.809 ( 6.362 -0.000 3.691) 7.356 6.963 ( 1.730 -0.000 -3.476) 3.882 7.401 ( 2.987 -0.000 3.159) 4.348 7.775 ( 9.840 -0.000 -5.531) 11.288 8.390 ( -2.373 0.000 7.441) 7.810 8.417 ( 0.072 -0.000 4.609) 4.609 9.271 ( -3.714 0.000 -2.114) 4.273 9.403 ( 0.155 -0.000 -3.145) 3.149 10.186 ( 2.034 -0.000 2.463) 3.194 10.481 ( -4.327 0.000 1.633) 4.625 10.594 ( 0.142 -0.000 7.480) 7.481 11.535 ( 7.088 -0.000 -4.957) 8.649 11.841 ( -9.383 0.000 -2.322) 9.665 12.379 ( -7.560 0.000 11.671) 13.906 12.619 ( 8.618 -0.000 0.328) 8.625 12.738 ( -4.866 0.000 -3.098) 5.768 13.265 ( -6.129 0.000 5.754) 8.407 13.507 ( -11.421 0.000 -7.189) 13.495 14.551 ( 0.808 -0.000 0.869) 1.187 15.135 ( 5.784 -0.000 -7.594) 9.546 15.290 ( 1.929 -0.000 8.602) 8.815 15.798 ( 4.390 -0.000 -0.439) 4.412 16.335 ( -2.306 0.000 0.129) 2.310 17.032 ( 6.660 -0.000 -5.540) 8.663 ======================= Grid point 238 (101/300) ======================= q-point: (-0.09 -0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -30.563 -4.731 1.668) 30.972 1.772 ( -33.026 -4.943 1.596) 33.432 3.013 ( -52.924 -12.327 -2.878) 54.416 3.833 ( 6.353 0.159 2.542) 6.844 4.067 ( -14.470 8.838 0.983) 16.984 4.397 ( -0.106 -8.597 -6.538) 10.801 4.517 ( 2.834 1.615 -2.811) 4.306 4.841 ( 11.147 -1.451 -2.690) 11.559 5.502 ( 17.135 3.161 -2.020) 17.541 5.910 ( -1.573 -1.700 -9.864) 10.132 6.180 ( 10.960 2.641 4.239) 12.044 6.511 ( 9.408 2.427 0.037) 9.716 6.907 ( 9.702 8.746 -0.175) 13.063 7.047 ( 5.792 -5.950 0.568) 8.322 7.451 ( 3.238 1.308 0.014) 3.492 7.917 ( 10.913 0.790 -5.677) 12.327 8.290 ( -4.314 8.204 3.578) 9.936 8.462 ( -6.158 -7.441 5.458) 11.094 9.246 ( -0.741 -4.096 -1.137) 4.315 9.393 ( -0.505 -0.391 -0.819) 1.039 10.187 ( -3.738 0.956 4.634) 6.030 10.409 ( -5.586 -1.387 1.050) 5.851 10.655 ( 5.376 3.235 2.574) 6.782 11.569 ( -1.110 0.394 -3.354) 3.555 11.707 ( -4.462 -5.925 -4.250) 8.549 12.222 ( -12.601 11.318 6.307) 18.074 12.573 ( -13.841 -9.163 -1.819) 16.698 12.817 ( 15.561 5.405 0.741) 16.490 13.186 ( -4.294 -4.082 -13.887) 15.098 13.450 ( 1.040 1.599 13.563) 13.697 14.547 ( -1.770 -0.463 0.336) 1.860 15.171 ( 5.687 4.145 -5.210) 8.756 15.368 ( 0.275 -3.426 4.997) 6.065 15.862 ( 3.954 1.144 0.706) 4.176 16.302 ( -2.653 -1.515 0.640) 3.122 17.085 ( 5.037 0.757 -7.717) 9.246 ======================= Grid point 249 (102/300) ======================= q-point: (-0.09 -0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -26.547 0.000 16.276) 31.140 1.216 ( -34.329 0.000 6.567) 34.951 2.018 ( -58.595 0.000 2.494) 58.648 3.864 ( -13.700 0.000 -4.059) 14.289 3.944 ( 5.103 -0.000 2.403) 5.641 4.317 ( -0.477 0.000 -4.999) 5.022 4.584 ( 4.606 -0.000 5.261) 6.992 5.018 ( 12.285 -0.000 -4.142) 12.965 5.781 ( 15.980 -0.000 -2.939) 16.248 5.826 ( -0.847 0.000 -7.887) 7.932 6.326 ( 1.650 -0.000 7.242) 7.427 6.644 ( 3.859 -0.000 1.660) 4.201 7.056 ( 7.820 -0.000 -3.584) 8.602 7.256 ( 18.409 -0.000 1.428) 18.465 7.532 ( 6.215 -0.000 0.616) 6.246 8.062 ( 9.985 -0.000 -5.842) 11.568 8.245 ( -10.905 0.000 5.378) 12.159 8.297 ( -9.022 0.000 0.833) 9.060 9.228 ( 1.129 -0.000 -0.222) 1.151 9.382 ( -1.579 0.000 2.316) 2.803 10.134 ( -6.189 0.000 3.279) 7.004 10.307 ( -6.060 0.000 0.794) 6.112 10.768 ( 5.562 -0.000 -0.966) 5.645 11.567 ( 1.026 -0.000 -2.690) 2.879 11.573 ( -2.383 0.000 -1.856) 3.020 12.167 ( -10.029 0.000 5.709) 11.540 12.191 ( -17.695 0.000 -4.963) 18.378 12.978 ( -7.599 0.000 -19.536) 20.962 13.147 ( 17.817 -0.000 0.269) 17.819 13.574 ( 2.268 -0.000 8.031) 8.345 14.492 ( -4.347 0.000 0.293) 4.356 15.255 ( 5.276 -0.000 -4.486) 6.925 15.369 ( -0.965 0.000 3.032) 3.182 15.934 ( 2.990 -0.000 2.476) 3.882 16.254 ( -2.697 0.000 0.899) 2.843 17.095 ( 2.869 -0.000 -12.144) 12.479 ======================= Grid point 250 (103/300) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -0.918 0.000 24.293) 24.310 1.161 ( 6.286 -0.000 25.346) 26.114 2.149 ( 2.876 -0.000 47.139) 47.227 3.253 ( -2.929 0.000 -3.979) 4.941 3.978 ( -2.598 0.000 -3.901) 4.687 4.238 ( 2.051 -0.000 -1.333) 2.446 5.061 ( 3.317 -0.000 6.084) 6.930 5.160 ( 6.647 -0.000 -8.064) 10.451 5.764 ( 2.540 -0.000 1.642) 3.024 6.025 ( 5.416 -0.000 -5.434) 7.672 6.569 ( -2.451 0.000 10.613) 10.892 6.584 ( -6.713 0.000 -2.297) 7.095 7.042 ( 3.451 -0.000 -8.378) 9.061 7.742 ( 0.139 -0.000 -3.297) 3.300 7.742 ( -1.537 0.000 -2.029) 2.545 7.905 ( -8.899 0.000 0.538) 8.916 7.909 ( -2.953 0.000 -0.702) 3.035 8.582 ( 8.880 -0.000 -13.717) 16.340 9.269 ( 0.464 -0.000 0.428) 0.631 9.494 ( -8.404 0.000 8.725) 12.114 10.074 ( 8.952 -0.000 -3.676) 9.678 10.180 ( -0.879 0.000 -0.286) 0.925 10.484 ( 9.841 -0.000 -7.259) 12.229 11.268 ( -20.355 0.000 6.738) 21.441 11.675 ( -0.267 0.000 -4.196) 4.204 11.707 ( 4.567 -0.000 3.909) 6.011 11.934 ( -6.398 0.000 -0.056) 6.398 11.948 ( 15.879 -0.000 0.962) 15.908 13.429 ( -0.786 0.000 -3.296) 3.388 13.521 ( -0.926 0.000 3.768) 3.880 14.408 ( 0.292 -0.000 0.091) 0.306 15.318 ( -3.087 0.000 -0.786) 3.185 15.330 ( 3.085 -0.000 0.140) 3.089 16.066 ( -0.296 0.000 4.093) 4.104 16.216 ( -0.440 0.000 0.186) 0.477 16.993 ( 0.500 -0.000 -1.635) 1.710 ======================= Grid point 251 (104/300) ======================= q-point: ( 0.09 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 12.515 -13.795 19.937) 27.284 1.733 ( 32.767 -12.317 19.976) 40.305 2.510 ( 9.858 -3.459 39.225) 40.593 3.295 ( 9.456 -0.141 -4.664) 10.545 3.914 ( -3.962 -2.044 -3.513) 5.676 4.268 ( 1.444 -3.123 -2.513) 4.261 5.122 ( 0.411 2.062 10.707) 10.911 5.158 ( 0.987 4.072 -7.923) 8.962 5.773 ( -0.625 6.026 1.762) 6.310 6.003 ( -4.530 -2.648 -5.253) 7.425 6.495 ( -0.656 1.003 -1.448) 1.880 6.617 ( -0.104 -1.513 9.588) 9.708 7.021 ( 0.325 2.301 -7.956) 8.288 7.413 ( -16.072 14.219 -2.045) 21.556 7.515 ( -13.983 8.032 -1.745) 16.220 7.876 ( -6.285 -8.043 -3.666) 10.846 8.055 ( 8.137 -4.566 -1.917) 9.526 8.527 ( 2.381 4.686 -5.902) 7.903 9.283 ( -0.369 -1.749 0.445) 1.842 9.434 ( -4.779 -1.857 7.219) 8.854 9.989 ( -3.218 7.167 -5.215) 9.430 10.261 ( -0.703 -10.401 -3.191) 10.902 10.916 ( 23.785 -2.378 -8.699) 25.438 11.113 ( -0.951 -5.626 5.765) 8.111 11.668 ( 6.655 8.538 -2.101) 11.027 11.764 ( -4.233 -8.514 0.912) 9.552 12.005 ( 9.859 -9.020 -0.012) 13.363 12.319 ( 22.717 -8.232 -3.784) 24.457 13.288 ( -12.747 3.292 -2.257) 13.357 13.550 ( 3.774 1.235 3.585) 5.350 14.456 ( 3.035 -3.041 -0.996) 4.410 15.238 ( -3.720 2.904 -0.685) 4.769 15.367 ( 0.180 -0.892 0.794) 1.207 16.081 ( -1.007 0.370 4.111) 4.249 16.236 ( 1.754 -1.812 0.113) 2.524 16.914 ( -4.501 5.692 -3.757) 8.172 ======================= Grid point 252 (105/300) ======================= q-point: ( 0.18 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 18.758 -14.610 14.544) 27.872 2.418 ( 18.676 -8.063 25.173) 32.365 3.052 ( 28.588 -13.008 17.727) 36.066 3.460 ( 13.949 2.174 -4.875) 14.935 3.839 ( -5.757 -1.935 -1.979) 6.387 4.339 ( 3.450 -8.307 -3.612) 9.693 5.007 ( -6.343 7.497 -6.249) 11.640 5.185 ( -0.454 0.865 11.422) 11.463 5.609 ( -8.342 11.651 -0.711) 14.347 5.957 ( -2.376 -6.630 -4.657) 8.444 6.469 ( -1.968 4.909 0.533) 5.316 6.679 ( -1.840 0.085 7.507) 7.730 6.909 ( -2.857 4.898 -9.748) 11.277 7.018 ( -12.857 12.214 -0.723) 17.749 7.229 ( -9.661 5.867 -2.881) 11.665 7.782 ( -8.109 -6.520 -8.579) 13.485 8.195 ( 5.050 -3.197 -0.824) 6.033 8.536 ( 2.743 2.319 1.463) 3.879 9.290 ( 0.144 -0.390 0.450) 0.612 9.447 ( -1.648 -4.281 4.035) 6.110 9.840 ( -3.437 4.481 -5.896) 8.165 10.341 ( 2.358 -5.474 -1.204) 6.080 10.922 ( -8.834 -1.839 7.575) 11.781 11.422 ( 16.303 -3.767 -5.487) 17.609 11.712 ( 11.024 10.773 -0.476) 15.421 11.813 ( -1.355 -13.739 -2.512) 14.033 12.310 ( 13.850 -10.599 -1.215) 17.482 12.746 ( 19.942 -10.835 -5.528) 23.359 12.969 ( -16.537 7.411 -1.301) 18.168 13.655 ( 5.469 -2.693 2.758) 6.691 14.516 ( 1.096 -3.013 -2.099) 3.832 15.140 ( -4.013 4.013 0.484) 5.696 15.370 ( -1.116 -0.983 0.709) 1.648 16.060 ( -3.735 1.581 4.812) 6.293 16.307 ( 3.592 -3.169 0.322) 4.801 16.728 ( -3.990 10.006 -7.783) 13.289 ======================= Grid point 253 (106/300) ======================= q-point: ( 0.27 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 19.031 -12.981 9.777) 25.025 2.814 ( 8.437 -3.776 24.186) 25.892 3.608 ( 11.225 0.693 -6.059) 12.775 3.668 ( 5.434 2.138 1.678) 6.076 3.879 ( 23.100 -14.576 2.464) 27.425 4.502 ( 6.108 -12.609 -2.970) 14.322 4.758 ( -10.220 7.294 -6.098) 13.958 5.151 ( -13.512 -0.265 5.538) 14.605 5.378 ( -1.013 13.650 1.725) 13.796 5.975 ( -1.314 -5.671 -2.663) 6.401 6.269 ( -11.297 11.020 -0.027) 15.782 6.511 ( -11.872 9.254 -0.190) 15.054 6.772 ( -1.796 5.720 -12.813) 14.146 6.881 ( 1.557 2.542 1.943) 3.558 7.110 ( -1.869 -1.973 3.171) 4.176 7.654 ( -7.401 -4.708 -9.965) 13.275 8.244 ( -1.273 -0.155 -0.544) 1.393 8.575 ( 1.710 1.348 6.796) 7.136 9.318 ( 3.170 -0.478 -0.707) 3.282 9.485 ( -0.597 -3.980 0.342) 4.039 9.751 ( 0.293 1.321 -5.110) 5.286 10.409 ( 2.080 -1.414 -0.391) 2.545 10.846 ( -9.363 -4.247 8.779) 13.519 11.596 ( 5.653 -2.814 -2.352) 6.738 11.819 ( 12.875 9.009 0.018) 15.714 11.937 ( 1.493 -13.664 -2.773) 14.022 12.467 ( -11.148 3.960 -1.087) 11.881 12.709 ( 5.631 -0.000 -0.081) 5.632 13.145 ( 15.093 -13.314 -3.636) 20.452 13.794 ( 4.909 -5.554 1.367) 7.537 14.509 ( -3.052 -1.329 -2.949) 4.447 15.046 ( -3.114 4.871 2.674) 6.369 15.368 ( -0.650 -1.942 -0.068) 2.049 15.979 ( -6.778 3.750 5.681) 9.607 16.397 ( 3.102 -1.558 -0.416) 3.496 16.554 ( 1.791 8.064 -10.131) 13.071 ======================= Grid point 254 (107/300) ======================= q-point: ( 0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 10.474 -7.565 5.617) 14.088 3.071 ( 5.632 -2.716 15.889) 17.075 3.589 ( -2.849 -0.545 -2.011) 3.530 3.738 ( 9.024 6.190 -2.015) 11.127 4.394 ( 6.224 -3.418 -1.883) 7.346 4.547 ( 5.540 -2.248 -4.359) 7.399 4.731 ( 7.822 -13.007 -2.924) 15.457 4.864 ( -17.643 1.243 1.140) 17.723 5.298 ( -0.144 9.896 1.839) 10.066 5.879 ( -10.426 4.275 -0.434) 11.277 6.052 ( -4.080 6.349 -4.184) 8.629 6.301 ( -1.228 5.691 -1.237) 5.952 6.574 ( -6.163 5.917 -9.638) 12.880 6.938 ( 5.354 -1.198 -3.217) 6.360 7.168 ( -0.800 -3.629 7.471) 8.344 7.530 ( -4.516 -2.688 -8.876) 10.315 8.164 ( -5.794 2.709 1.097) 6.489 8.644 ( 1.548 0.084 9.177) 9.307 9.396 ( 5.541 -1.988 -1.763) 6.146 9.497 ( 0.045 -1.103 -2.871) 3.076 9.770 ( 4.246 -2.054 -4.207) 6.320 10.426 ( -0.087 0.862 0.485) 0.993 10.801 ( -8.265 -5.741 9.308) 13.708 11.681 ( 4.244 -2.305 -3.054) 5.714 11.911 ( 4.546 3.448 -1.329) 5.858 12.024 ( -7.641 -2.813 -1.745) 8.327 12.202 ( -2.566 0.943 2.649) 3.806 12.878 ( 7.720 -0.910 2.268) 8.098 13.431 ( 8.547 -9.143 -5.510) 13.675 13.936 ( 3.266 -8.963 2.199) 9.790 14.406 ( -7.278 1.105 -3.006) 7.952 14.977 ( -1.922 5.146 3.358) 6.438 15.396 ( 1.656 -3.161 -0.873) 3.673 15.839 ( -7.023 6.610 4.041) 10.457 16.386 ( 3.303 5.050 -6.516) 8.881 16.582 ( 6.040 -2.038 -2.326) 6.786 ======================= Grid point 255 (108/300) ======================= q-point: (-0.55 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -9.516 2.904 5.022) 11.145 3.226 ( 1.520 0.060 3.325) 3.657 3.589 ( 0.469 -1.949 1.339) 2.410 3.762 ( 3.046 4.819 -3.073) 6.477 4.328 ( 0.901 0.141 -2.844) 2.987 4.566 ( -11.636 0.203 -0.071) 11.638 4.755 ( 6.043 -3.958 -3.804) 8.164 5.000 ( 4.281 -6.224 3.554) 8.348 5.195 ( -2.044 3.526 -2.258) 4.660 5.692 ( -3.938 5.527 -3.129) 7.473 5.911 ( -0.541 6.579 -3.499) 7.471 6.207 ( -5.201 4.242 -12.243) 13.962 6.458 ( 0.712 1.366 1.312) 2.023 7.017 ( 6.173 0.185 -5.220) 8.086 7.205 ( -2.641 -4.491 5.217) 7.373 7.492 ( 1.281 -2.987 -4.992) 5.957 8.066 ( -3.935 1.601 3.293) 5.375 8.717 ( 0.769 -0.002 9.694) 9.725 9.477 ( -0.262 -0.472 -1.939) 2.013 9.498 ( 5.185 -0.250 -4.073) 6.598 9.858 ( 6.833 -2.398 -5.204) 8.918 10.412 ( -1.924 -1.181 1.836) 2.910 10.778 ( -7.553 -4.418 9.527) 12.936 11.740 ( 5.870 6.217 -2.375) 8.874 11.816 ( -14.222 -12.828 -2.011) 19.258 11.894 ( 0.979 7.724 -3.752) 8.643 12.364 ( 8.292 -6.699 5.077) 11.807 12.967 ( 0.114 1.249 6.486) 6.606 13.513 ( 1.832 -1.274 -10.664) 10.895 14.055 ( -5.924 -6.423 3.797) 9.527 14.276 ( -2.020 -2.033 -0.204) 2.873 14.912 ( -1.243 5.001 -0.479) 5.175 15.475 ( 4.241 -4.132 -0.879) 5.986 15.698 ( -3.899 7.114 2.445) 8.473 16.387 ( 4.834 3.458 -3.750) 7.028 16.693 ( 5.539 -2.746 -1.404) 6.340 ======================= Grid point 256 (109/300) ======================= q-point: (-0.45 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -19.243 8.257 5.634) 21.684 3.033 ( -18.307 9.498 -0.836) 20.641 3.651 ( 3.763 -1.101 2.707) 4.764 3.806 ( 6.194 -3.099 -4.556) 8.290 4.317 ( -3.782 -1.376 -5.786) 7.048 4.488 ( -1.106 -3.587 1.939) 4.225 4.828 ( -1.095 4.724 -0.489) 4.874 4.952 ( -5.235 -0.291 1.063) 5.350 5.110 ( -2.730 11.049 -1.337) 11.459 5.684 ( 7.277 -1.334 0.285) 7.403 5.890 ( 3.987 2.311 -8.143) 9.357 6.020 ( -3.304 -1.679 -7.967) 8.787 6.485 ( 2.019 -0.796 -0.741) 2.293 7.078 ( 6.578 2.733 -4.621) 8.491 7.257 ( -0.688 -6.466 3.026) 7.172 7.541 ( 3.483 -3.742 -4.394) 6.741 8.063 ( 1.375 -0.847 4.110) 4.416 8.772 ( -0.712 0.370 9.177) 9.212 9.447 ( 0.263 2.938 -2.496) 3.864 9.520 ( -0.284 1.490 -3.276) 3.610 9.979 ( 9.065 -2.327 -6.237) 11.247 10.420 ( -2.012 -4.653 2.741) 5.763 10.725 ( -9.143 -1.776 9.404) 13.236 11.735 ( -1.791 -3.069 -0.172) 3.557 11.785 ( 4.066 11.402 -3.820) 12.693 11.833 ( -2.752 -13.648 -5.192) 14.859 12.583 ( 6.417 -5.052 5.048) 9.601 12.936 ( -6.376 1.808 8.907) 11.102 13.428 ( -2.534 3.410 -12.038) 12.765 13.871 ( -14.388 3.181 3.057) 15.049 14.405 ( 3.910 -8.966 4.609) 10.813 14.851 ( 1.435 3.214 -5.833) 6.813 15.572 ( 0.074 -3.179 -0.415) 3.207 15.628 ( 3.575 4.626 2.373) 6.310 16.416 ( 3.632 3.291 -1.008) 5.004 16.793 ( 5.426 -2.062 -3.015) 6.541 ======================= Grid point 257 (110/300) ======================= q-point: (-0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -23.002 10.751 10.457) 27.459 2.555 ( -25.785 12.182 1.725) 28.570 3.747 ( 4.945 -0.387 2.259) 5.450 3.900 ( -0.962 -5.602 -4.745) 7.404 4.200 ( -7.796 1.335 -5.356) 9.552 4.377 ( -23.363 10.924 1.924) 25.863 4.550 ( 0.793 4.972 0.220) 5.040 4.945 ( -0.855 8.782 -2.645) 9.211 5.125 ( 12.575 -2.681 1.902) 12.997 5.806 ( 1.172 2.505 -12.720) 13.018 5.902 ( 11.060 -5.546 4.122) 13.041 6.139 ( 9.749 -9.000 -1.953) 13.411 6.550 ( 4.230 -4.811 -2.317) 6.813 7.127 ( 5.683 3.925 -2.433) 7.322 7.313 ( -1.409 -5.913 0.791) 6.130 7.627 ( 5.597 -4.975 -5.507) 9.295 8.149 ( 4.121 -1.673 3.022) 5.378 8.777 ( -3.734 1.602 7.282) 8.339 9.408 ( -0.043 4.043 -1.321) 4.253 9.442 ( -2.275 4.057 -2.834) 5.446 10.108 ( 7.003 -2.842 -5.683) 9.456 10.464 ( 0.324 -4.512 1.335) 4.716 10.634 ( -9.826 -2.102 9.417) 13.772 11.629 ( -6.885 -0.044 -2.986) 7.505 11.790 ( 5.076 7.059 -4.246) 9.676 11.979 ( 4.399 -14.381 -1.907) 15.160 12.640 ( -4.321 1.226 3.485) 5.685 12.898 ( -3.723 -0.868 6.119) 7.215 13.242 ( -5.647 6.115 -10.400) 13.320 13.660 ( -10.306 1.459 6.417) 12.227 14.548 ( 0.956 -5.220 5.257) 7.470 14.855 ( 5.658 -1.188 -8.281) 10.100 15.536 ( -2.136 2.276 1.282) 3.374 15.735 ( 6.144 -2.043 1.435) 6.632 16.417 ( 0.793 3.933 0.433) 4.036 16.871 ( 5.844 -0.185 -6.511) 8.751 ======================= Grid point 258 (111/300) ======================= q-point: (-0.27 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -20.485 11.121 20.316) 30.920 2.020 ( -28.003 11.506 6.835) 31.037 3.431 ( -37.175 25.062 2.528) 44.905 3.860 ( -4.837 -5.277 2.091) 7.458 3.932 ( -5.327 0.965 0.652) 5.453 4.267 ( 5.744 -0.756 -8.483) 10.273 4.576 ( 3.967 1.791 2.470) 5.005 4.860 ( 2.336 5.664 -2.712) 6.700 5.389 ( 12.498 -5.700 0.269) 13.739 5.750 ( 3.317 2.767 -9.554) 10.485 6.189 ( 10.906 -8.332 5.563) 14.809 6.392 ( 11.157 -7.841 -1.781) 13.753 6.702 ( 9.236 -7.766 -3.135) 12.468 7.161 ( 3.436 3.682 0.682) 5.082 7.342 ( -0.253 -6.129 -2.541) 6.639 7.759 ( 8.134 -5.746 -5.512) 11.382 8.231 ( 2.065 -0.742 1.825) 2.854 8.684 ( -8.466 4.277 4.165) 10.359 9.328 ( -0.750 6.102 -1.630) 6.360 9.408 ( 0.711 0.892 0.654) 1.315 10.182 ( 1.495 -3.039 -2.745) 4.360 10.460 ( -4.811 1.459 0.730) 5.080 10.617 ( -1.321 -6.226 5.245) 8.247 11.527 ( -3.051 0.534 -2.009) 3.692 11.754 ( 2.042 7.434 -3.961) 8.667 12.062 ( -8.953 -7.076 -0.660) 11.431 12.621 ( -3.949 -3.719 -0.312) 5.433 12.785 ( -3.407 2.967 -0.639) 4.563 13.065 ( -2.295 8.717 -8.346) 12.284 13.601 ( -5.133 -5.292 8.319) 11.116 14.584 ( -1.909 -0.064 2.705) 3.311 14.961 ( 7.628 -5.106 -5.651) 10.779 15.485 ( -2.279 2.220 0.662) 3.249 15.865 ( 5.262 -2.869 3.120) 6.757 16.374 ( -1.679 4.022 0.886) 4.448 16.907 ( 5.958 2.797 -10.459) 12.358 ======================= Grid point 259 (112/300) ======================= q-point: (-0.18 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -26.115 9.865 14.140) 31.293 1.638 ( -13.606 9.262 31.119) 35.204 2.534 ( -41.715 29.366 12.450) 52.512 3.671 ( -15.816 -4.774 -4.207) 17.048 3.998 ( 3.971 -0.207 2.500) 4.697 4.269 ( 3.301 6.488 -7.916) 10.754 4.696 ( 7.334 -2.229 6.971) 10.361 4.909 ( 8.087 -1.549 -5.139) 9.706 5.605 ( 6.352 -6.150 -1.850) 9.033 5.773 ( 9.112 2.999 -5.840) 11.231 6.428 ( 3.862 -6.810 7.875) 11.105 6.600 ( 8.324 -4.342 -3.166) 9.908 6.928 ( 9.716 -4.341 -2.759) 10.994 7.211 ( 6.022 -3.637 0.312) 7.041 7.430 ( 5.208 -8.293 -3.527) 10.409 7.939 ( 11.136 -5.370 -4.468) 13.145 8.236 ( -2.579 1.141 1.790) 3.340 8.474 ( -12.181 6.974 1.534) 14.120 9.273 ( 0.674 4.185 -0.585) 4.279 9.440 ( 1.722 -0.581 3.508) 3.951 10.179 ( -5.536 -2.800 2.036) 6.529 10.351 ( -4.552 2.775 -0.522) 5.357 10.680 ( 1.046 -2.262 -2.612) 3.610 11.511 ( 2.300 -0.108 -0.048) 2.303 11.687 ( 2.236 9.460 -1.742) 9.875 11.895 ( -15.591 -6.840 -1.833) 17.124 12.356 ( -18.258 3.124 -4.187) 18.991 12.716 ( -9.843 15.535 -13.410) 22.760 13.058 ( 12.980 -7.051 -0.590) 14.783 13.613 ( -5.353 -4.702 3.570) 7.969 14.536 ( -3.508 2.433 1.119) 4.413 15.109 ( 6.868 -5.325 -2.968) 9.183 15.427 ( -2.371 2.043 -0.012) 3.129 15.986 ( 3.149 -2.622 4.498) 6.085 16.306 ( -2.699 3.238 0.761) 4.284 16.906 ( 5.975 4.124 -10.465) 12.736 ======================= Grid point 260 (113/300) ======================= q-point: (-0.09 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -18.312 4.640 21.336) 28.497 1.409 ( -24.509 22.623 21.678) 39.779 1.954 ( -12.613 8.906 41.531) 44.309 3.426 ( -13.505 -1.543 -5.753) 14.760 4.032 ( -0.310 1.206 -1.262) 1.773 4.223 ( 2.864 4.114 -3.475) 6.099 4.907 ( 8.658 -3.697 6.426) 11.399 5.050 ( 9.565 -2.844 -7.072) 12.231 5.701 ( 2.915 -2.794 -0.900) 4.137 5.910 ( 11.101 0.300 -4.807) 12.101 6.534 ( -2.156 -3.761 9.486) 10.429 6.679 ( -0.047 0.346 -2.624) 2.647 7.013 ( 4.335 -0.400 -5.885) 7.321 7.483 ( 14.702 -11.617 -1.939) 18.838 7.611 ( 7.857 -8.978 -2.768) 12.248 8.080 ( -5.039 1.469 -2.263) 5.716 8.188 ( -13.940 8.560 0.272) 16.361 8.279 ( 16.819 -6.296 -0.525) 17.967 9.260 ( 1.069 1.595 0.076) 1.922 9.501 ( 0.759 -0.537 7.200) 7.259 10.073 ( -10.905 -2.104 4.376) 11.938 10.272 ( 0.888 8.164 -1.964) 8.444 10.611 ( -5.005 3.167 -11.677) 13.094 11.595 ( 3.169 -1.254 1.588) 3.760 11.630 ( -6.181 1.387 -1.500) 6.510 11.708 ( -6.615 -1.910 -3.397) 7.677 11.975 ( -20.012 3.111 -7.010) 21.431 12.202 ( -14.292 21.232 -4.478) 25.983 13.336 ( 11.140 -5.075 -1.494) 12.333 13.549 ( -5.971 -1.444 1.338) 6.287 14.452 ( -3.488 2.877 0.643) 4.567 15.241 ( 4.950 -4.075 -1.224) 6.527 15.374 ( -1.854 1.890 -0.171) 2.653 16.049 ( -0.029 -0.493 3.867) 3.899 16.245 ( -2.092 1.740 0.477) 2.762 16.940 ( 5.795 0.178 -3.873) 6.973 ======================= Grid point 262 (114/300) ======================= q-point: ( 0.09 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 22.158 -0.000 15.988) 27.324 2.327 ( 26.260 -0.000 23.235) 35.063 2.941 ( 25.034 -0.000 23.220) 34.145 3.487 ( 16.404 -0.000 -5.378) 17.263 3.812 ( -5.059 0.000 -3.152) 5.961 4.258 ( 1.389 -0.000 -2.629) 2.973 5.084 ( -6.803 0.000 -7.433) 10.076 5.191 ( -2.226 0.000 12.845) 13.037 5.799 ( -10.800 0.000 -4.786) 11.812 5.816 ( 0.051 -0.000 -0.807) 0.808 6.505 ( 1.728 -0.000 -2.620) 3.138 6.681 ( -0.873 0.000 11.273) 11.307 6.967 ( -3.069 0.000 -7.393) 8.005 7.137 ( -19.098 0.000 -2.545) 19.267 7.298 ( -14.264 0.000 -4.043) 14.826 7.719 ( -4.735 0.000 -8.244) 9.507 8.152 ( 6.239 -0.000 -1.677) 6.461 8.562 ( 1.800 -0.000 1.115) 2.118 9.266 ( -0.206 0.000 0.221) 0.302 9.420 ( -0.900 0.000 4.736) 4.821 9.892 ( -5.594 0.000 -7.329) 9.220 10.269 ( 5.445 -0.000 0.111) 5.446 10.905 ( -9.918 0.000 8.291) 12.927 11.397 ( 22.626 -0.000 -8.270) 24.090 11.661 ( -2.802 0.000 -0.840) 2.925 11.909 ( 17.131 -0.000 -5.666) 18.043 12.089 ( 6.964 -0.000 4.948) 8.543 12.661 ( 24.715 -0.000 -6.981) 25.682 13.044 ( -17.035 0.000 -2.241) 17.182 13.636 ( 3.856 -0.000 4.497) 5.924 14.483 ( 2.347 -0.000 -2.547) 3.464 15.180 ( -4.457 0.000 0.727) 4.516 15.359 ( -1.351 0.000 0.888) 1.616 16.074 ( -3.315 0.000 4.429) 5.532 16.275 ( 3.798 -0.000 0.374) 3.817 16.830 ( -4.800 0.000 -7.554) 8.950 ======================= Grid point 263 (115/300) ======================= q-point: ( 0.18 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 23.378 -5.444 11.661) 26.686 2.764 ( 10.555 -1.430 26.027) 28.122 3.560 ( 31.277 -3.018 1.634) 31.465 3.716 ( -2.012 -3.069 -1.642) 4.021 3.741 ( 18.296 3.288 -1.459) 18.647 4.308 ( 3.606 -6.404 -2.594) 7.794 4.862 ( -12.821 3.150 -6.688) 14.800 5.141 ( -13.186 -0.517 7.477) 15.167 5.615 ( -0.766 10.556 -0.089) 10.584 5.841 ( -1.424 -7.787 -2.847) 8.412 6.443 ( -8.649 6.288 0.595) 10.709 6.579 ( -14.927 -0.388 2.071) 15.075 6.865 ( -0.145 3.642 -9.413) 10.094 6.960 ( -1.979 3.245 3.208) 4.973 7.064 ( -8.511 -2.363 -3.907) 9.658 7.606 ( -3.355 -0.558 -10.046) 10.606 8.223 ( 1.828 -1.298 -0.271) 2.258 8.592 ( -0.754 0.468 7.019) 7.075 9.284 ( 1.452 -2.063 -0.670) 2.610 9.444 ( 1.345 -0.511 0.643) 1.576 9.777 ( -2.425 1.014 -6.311) 6.836 10.373 ( 5.101 -1.684 0.369) 5.385 10.794 ( -10.237 -1.254 9.110) 13.761 11.587 ( 5.598 2.606 -3.200) 6.955 11.704 ( 4.754 -9.529 -4.023) 11.384 12.048 ( 12.751 14.507 -0.206) 19.316 12.345 ( 7.888 -14.894 -1.213) 16.897 12.747 ( -13.154 2.876 -0.806) 13.489 13.009 ( 19.700 -2.314 -3.352) 20.117 13.734 ( 4.873 -1.212 2.259) 5.506 14.481 ( -1.392 -1.073 -3.809) 4.195 15.113 ( -3.765 1.899 2.977) 5.162 15.339 ( -1.819 -0.930 0.492) 2.101 16.020 ( -6.022 0.923 5.053) 7.916 16.359 ( 5.049 -1.360 0.806) 5.290 16.691 ( -2.217 4.451 -11.396) 12.434 ======================= Grid point 264 (116/300) ======================= q-point: ( 0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 18.958 -5.038 7.504) 21.002 3.040 ( 6.705 -0.843 19.296) 20.446 3.584 ( -4.591 0.096 -2.470) 5.214 3.871 ( 12.036 7.088 -3.573) 14.418 4.243 ( 25.999 -8.030 -0.192) 27.211 4.470 ( 6.053 -12.186 -1.802) 13.725 4.571 ( -12.720 1.719 -6.398) 14.342 4.878 ( -19.701 0.168 0.933) 19.724 5.509 ( -2.986 11.086 -0.304) 11.485 5.881 ( -1.705 -3.960 1.382) 4.527 6.174 ( -8.499 7.558 -2.818) 11.718 6.390 ( -7.846 0.951 -0.510) 7.920 6.702 ( -6.823 6.904 -9.570) 13.631 6.933 ( 4.750 0.481 -3.485) 5.911 7.100 ( 1.486 -3.474 5.959) 7.056 7.503 ( -2.764 -0.046 -9.500) 9.894 8.212 ( -3.364 2.055 1.748) 4.312 8.620 ( -2.174 -2.015 10.109) 10.535 9.344 ( 3.409 -3.070 -1.543) 4.840 9.475 ( 2.548 -0.921 -3.644) 4.541 9.738 ( 1.795 -1.085 -4.963) 5.388 10.447 ( 2.387 0.653 0.725) 2.579 10.705 ( -9.481 -3.545 9.714) 14.029 11.604 ( -1.105 -3.554 -4.072) 5.516 11.819 ( 1.014 -5.864 -4.526) 7.477 12.113 ( 6.459 5.547 5.058) 9.903 12.335 ( -4.628 9.829 -2.875) 11.238 12.767 ( 6.475 -9.774 -0.749) 11.748 13.315 ( 14.639 -3.429 1.975) 15.165 13.829 ( 3.961 -2.365 -0.881) 4.696 14.406 ( -5.886 -0.707 -4.646) 7.532 15.057 ( -2.868 3.122 4.468) 6.159 15.336 ( -0.399 -2.755 -0.027) 2.783 15.922 ( -6.902 2.502 4.335) 8.526 16.452 ( 4.487 0.709 -0.741) 4.603 16.586 ( 2.777 2.786 -9.845) 10.601 ======================= Grid point 265 (117/300) ======================= q-point: ( 0.36 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 1.539 3.289 4.935) 6.127 3.229 ( 6.612 0.275 8.156) 10.504 3.547 ( 0.431 -2.115 -0.926) 2.349 3.898 ( 1.531 9.085 -2.626) 9.580 4.319 ( -3.698 -0.982 -2.657) 4.658 4.554 ( -16.309 -1.666 -1.784) 16.490 4.645 ( 6.434 -6.335 -2.160) 9.284 4.752 ( 10.752 -16.309 0.395) 19.539 5.280 ( -13.313 4.285 -2.050) 14.135 5.821 ( -0.838 8.857 -1.514) 9.024 6.047 ( -0.404 4.856 -3.154) 5.805 6.289 ( -3.047 2.635 -12.440) 13.077 6.535 ( 0.286 5.905 2.404) 6.382 7.020 ( 8.215 0.640 -3.953) 9.139 7.154 ( -1.575 -0.915 4.363) 4.728 7.432 ( -0.598 -2.661 -7.062) 7.570 8.124 ( -4.445 4.053 4.407) 7.457 8.672 ( -2.790 -4.508 10.706) 11.947 9.424 ( 3.237 -3.231 -1.766) 4.903 9.503 ( 3.349 -0.511 -5.765) 6.687 9.797 ( 5.899 -3.562 -5.264) 8.672 10.436 ( -2.283 2.983 2.805) 4.689 10.672 ( -6.908 -6.018 8.856) 12.742 11.548 ( -10.597 -9.916 -4.591) 15.222 11.800 ( -1.172 0.623 -3.212) 3.476 12.194 ( 3.818 13.484 -2.714) 14.274 12.253 ( 8.116 -0.991 6.173) 10.245 12.912 ( 0.350 -6.365 1.717) 6.602 13.539 ( 10.060 1.993 -1.724) 10.400 13.904 ( -0.284 -6.300 2.269) 6.702 14.265 ( -7.407 -0.589 -4.529) 8.702 14.998 ( -2.851 3.964 1.962) 5.262 15.386 ( 2.030 -4.925 -0.090) 5.328 15.809 ( -4.629 4.394 2.140) 6.731 16.470 ( 5.110 4.788 -5.019) 8.615 16.637 ( 4.887 -2.830 -1.543) 5.854 ======================= Grid point 266 (118/300) ======================= q-point: (-0.55 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -11.946 10.894 4.128) 16.686 3.220 ( -8.701 9.684 -0.764) 13.041 3.601 ( 2.903 -3.834 1.938) 5.185 3.808 ( 1.017 3.236 -2.997) 4.526 4.298 ( -7.520 -0.705 -5.587) 9.395 4.399 ( 0.596 -5.458 2.783) 6.155 4.785 ( 4.759 -6.190 -1.310) 7.917 4.958 ( -7.411 -2.255 4.002) 8.719 5.105 ( -0.922 -11.338 -3.281) 11.839 5.717 ( 0.613 9.298 -1.997) 9.529 6.011 ( 4.672 6.715 -1.940) 8.407 6.075 ( -5.751 5.491 -14.874) 16.866 6.544 ( 3.386 6.533 -0.478) 7.374 7.118 ( 6.527 1.346 -5.010) 8.338 7.155 ( -1.077 -2.574 4.573) 5.357 7.458 ( 2.933 -5.017 -5.386) 7.923 8.087 ( 1.084 2.629 5.501) 6.193 8.724 ( -4.154 -5.344 10.298) 12.323 9.469 ( 1.200 -0.689 -2.612) 2.956 9.524 ( 1.646 -0.559 -4.550) 4.871 9.922 ( 8.633 -3.804 -6.791) 11.624 10.386 ( -2.725 1.176 4.395) 5.303 10.659 ( -7.866 -5.033 8.077) 12.347 11.461 ( -9.374 -14.567 -2.550) 17.510 11.759 ( -0.873 1.160 -4.224) 4.466 12.135 ( 9.848 18.400 -3.100) 21.099 12.463 ( 6.965 -7.112 7.265) 12.324 12.914 ( -7.457 -3.125 4.649) 9.327 13.556 ( 2.311 8.922 -8.851) 12.778 13.883 ( -11.097 -2.123 4.195) 12.052 14.238 ( 2.172 -7.904 1.041) 8.263 14.918 ( -1.505 3.677 -3.117) 5.050 15.476 ( 2.062 -5.909 -0.641) 6.291 15.729 ( -0.596 4.966 1.591) 5.249 16.495 ( 5.465 4.761 -2.306) 7.607 16.739 ( 4.594 -3.414 -0.820) 5.782 ======================= Grid point 267 (119/300) ======================= q-point: (-0.45 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -17.179 14.983 7.221) 23.911 2.830 ( -20.026 16.320 -0.028) 25.834 3.708 ( 2.560 -4.328 2.926) 5.818 3.830 ( 2.857 -0.886 -3.222) 4.396 4.170 ( -4.295 -2.264 -5.256) 7.155 4.436 ( -5.241 -2.386 -1.985) 6.091 4.744 ( -11.722 8.890 3.280) 15.073 4.940 ( 4.257 -6.998 0.284) 8.196 5.193 ( 3.542 3.181 0.131) 4.762 5.720 ( 4.272 -6.643 1.414) 8.024 5.888 ( -0.190 4.590 -13.833) 14.576 6.066 ( 7.500 1.213 -0.458) 7.611 6.529 ( 3.304 2.854 -3.403) 5.536 7.152 ( 1.373 -3.615 -5.357) 6.607 7.211 ( 0.464 -1.382 4.464) 4.696 7.544 ( 6.229 -3.731 -6.181) 9.536 8.164 ( 6.884 2.230 3.820) 8.182 8.743 ( -6.553 -5.095 8.889) 12.162 9.453 ( -0.865 1.007 -2.052) 2.444 9.500 ( -1.211 1.578 -3.415) 3.952 10.051 ( 7.061 -3.102 -6.496) 10.083 10.401 ( 1.848 -1.472 3.547) 4.262 10.593 ( -9.619 -2.780 7.213) 12.340 11.496 ( -4.473 -15.561 -0.995) 16.222 11.706 ( -1.053 -0.255 -3.964) 4.109 12.140 ( 13.429 17.301 -2.899) 22.092 12.644 ( 1.524 -2.193 4.728) 5.430 12.819 ( -9.197 -4.888 7.048) 12.575 13.369 ( -8.202 6.693 -8.838) 13.790 13.721 ( -8.043 4.521 2.751) 9.628 14.400 ( 3.051 -9.769 4.722) 11.271 14.864 ( 1.938 1.729 -6.659) 7.147 15.529 ( -0.663 -3.295 -1.314) 3.609 15.728 ( 3.156 1.717 2.325) 4.280 16.510 ( 2.602 5.478 -0.331) 6.074 16.842 ( 5.544 -2.778 -2.878) 6.836 ======================= Grid point 268 (120/300) ======================= q-point: (-0.36 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -16.550 16.128 15.800) 27.994 2.320 ( -21.836 19.488 3.600) 29.489 3.725 ( -10.229 -2.355 -0.728) 10.522 3.836 ( 0.928 5.794 1.588) 6.079 4.074 ( -20.434 14.964 2.491) 25.450 4.211 ( 4.490 -3.944 -6.787) 9.043 4.609 ( 0.723 2.565 2.525) 3.671 4.973 ( -1.318 3.322 -2.881) 4.590 5.291 ( 8.830 -2.632 1.846) 9.397 5.813 ( 4.536 3.746 -11.385) 12.815 5.968 ( 8.599 -15.092 3.484) 17.715 6.230 ( 8.599 -7.354 -0.296) 11.319 6.594 ( 7.249 -3.072 -2.814) 8.361 7.180 ( 1.139 -5.019 -6.555) 8.334 7.226 ( -3.696 -1.920 4.391) 6.052 7.668 ( 9.239 -3.630 -6.047) 11.623 8.274 ( 7.526 4.161 1.307) 8.699 8.693 ( -10.150 -3.354 6.274) 12.395 9.416 ( -1.596 0.648 -0.555) 1.809 9.432 ( -1.286 3.456 -2.084) 4.236 10.126 ( 1.788 -2.668 -2.763) 4.237 10.481 ( -1.427 0.690 -0.344) 1.621 10.516 ( -0.745 -4.101 5.652) 7.023 11.523 ( -1.989 -3.199 -1.392) 4.016 11.714 ( -1.706 -6.518 -0.859) 6.792 12.177 ( 9.126 15.790 -3.474) 18.566 12.577 ( -5.981 -0.157 2.744) 6.582 12.792 ( -7.491 -2.034 0.726) 7.796 13.171 ( -4.731 0.667 -3.499) 5.922 13.577 ( -5.816 4.294 3.146) 7.885 14.535 ( 0.413 -5.646 4.677) 7.343 14.887 ( 5.535 -2.102 -6.719) 8.955 15.512 ( -1.867 0.222 -0.977) 2.118 15.809 ( 3.772 -2.571 2.735) 5.321 16.470 ( -0.780 5.769 0.352) 5.832 16.929 ( 5.955 -0.702 -6.662) 8.963 ======================= Grid point 269 (121/300) ======================= q-point: (-0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -18.163 22.206 9.896) 30.347 1.852 ( -11.128 13.801 26.988) 32.290 3.207 ( -28.891 38.219 5.815) 48.262 3.600 ( -14.367 -2.035 -0.194) 14.512 3.989 ( 3.691 -0.801 1.742) 4.160 4.334 ( 7.735 -0.876 -6.289) 10.007 4.669 ( 4.235 -1.057 4.888) 6.554 4.901 ( 0.681 1.737 -4.625) 4.987 5.473 ( 5.501 -7.316 0.383) 9.162 5.830 ( 8.421 3.096 -8.463) 12.334 6.253 ( 5.516 -11.460 6.346) 14.214 6.453 ( 8.259 -11.215 -2.346) 14.124 6.800 ( 12.465 -7.995 -1.514) 14.886 7.181 ( -3.956 -0.459 1.871) 4.400 7.222 ( -1.176 -10.768 -5.630) 12.207 7.848 ( 11.633 -4.510 -4.514) 13.268 8.325 ( 4.408 7.107 -0.147) 8.364 8.543 ( -13.108 0.007 3.176) 13.487 9.357 ( -0.840 4.007 -1.474) 4.351 9.424 ( 0.576 -1.031 2.577) 2.835 10.116 ( -7.305 -3.548 3.378) 8.795 10.414 ( 0.962 3.855 -3.025) 4.994 10.626 ( 4.141 -3.371 -0.747) 5.391 11.529 ( 3.511 1.492 -0.683) 3.875 11.698 ( -7.300 -4.315 0.695) 8.508 12.049 ( 0.097 18.358 -1.944) 18.461 12.404 ( -16.182 2.569 -4.743) 17.057 12.827 ( 8.218 -7.674 0.594) 11.260 13.046 ( -5.380 8.095 -6.657) 11.781 13.524 ( -3.037 -2.993 5.004) 6.574 14.568 ( -1.525 0.179 2.593) 3.013 14.998 ( 6.431 -5.633 -3.922) 9.406 15.464 ( -2.170 1.526 -0.888) 2.797 15.918 ( 2.962 -4.315 3.945) 6.553 16.390 ( -2.481 5.322 0.394) 5.885 16.963 ( 4.235 1.243 -10.297) 11.203 ======================= Grid point 270 (122/300) ======================= q-point: (-0.18 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -8.296 23.459 15.865) 29.510 1.789 ( -5.959 14.041 33.193) 36.530 2.430 ( -21.950 40.542 17.664) 49.370 3.399 ( -10.531 -0.600 -2.809) 10.916 4.045 ( 0.888 -0.179 0.630) 1.104 4.351 ( 3.223 7.549 -5.856) 10.083 4.818 ( 5.945 -4.214 8.559) 11.240 4.954 ( 6.039 -6.675 -7.032) 11.423 5.603 ( 2.264 -7.176 0.226) 7.528 5.925 ( 10.116 1.296 -6.506) 12.097 6.418 ( -0.983 -7.890 8.482) 11.626 6.641 ( 5.070 -5.728 -4.393) 8.822 7.016 ( 3.250 -0.175 -0.275) 3.267 7.219 ( 5.315 -14.018 -1.311) 15.049 7.309 ( -0.612 -17.605 -3.757) 18.012 8.086 ( 13.728 -6.526 -2.984) 15.491 8.274 ( -0.781 9.750 -0.785) 9.813 8.318 ( -12.358 4.129 0.615) 13.044 9.309 ( -0.180 3.268 -0.220) 3.280 9.483 ( 1.516 -1.448 5.954) 6.312 10.007 ( -11.865 -4.268 5.157) 13.623 10.425 ( 9.733 6.769 -6.568) 13.553 10.668 ( 0.800 1.100 -5.582) 5.745 11.563 ( -10.266 -1.224 0.113) 10.339 11.623 ( 8.311 0.815 -0.459) 8.363 11.854 ( -6.988 13.290 -2.852) 15.284 12.090 ( -8.369 8.759 -2.222) 12.316 12.668 ( -9.344 23.154 -11.055) 27.306 13.143 ( 8.531 -14.225 2.063) 16.715 13.526 ( -2.568 -0.921 0.800) 2.843 14.529 ( -1.699 4.071 1.324) 4.605 15.133 ( 4.533 -6.457 -1.903) 8.116 15.411 ( -1.627 1.734 -0.529) 2.436 16.016 ( 1.152 -3.305 4.508) 5.708 16.305 ( -2.164 4.377 0.319) 4.893 16.939 ( 0.912 -0.580 -9.251) 9.314 ======================= Grid point 271 (123/300) ======================= q-point: (-0.09 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 9.210 18.551 21.235) 29.663 1.548 ( -4.053 36.076 19.193) 41.065 2.229 ( 2.580 10.970 41.470) 42.974 3.264 ( -2.243 1.183 -3.371) 4.219 4.012 ( -2.769 2.315 -2.323) 4.292 4.296 ( 2.350 6.273 -3.550) 7.581 5.002 ( 3.795 -4.979 8.995) 10.960 5.087 ( 5.808 -7.494 -8.109) 12.476 5.699 ( 1.007 -6.471 1.800) 6.792 6.026 ( 6.324 0.394 -6.093) 8.790 6.488 ( -3.247 -5.229 7.548) 9.739 6.649 ( -2.720 2.490 -0.381) 3.707 7.022 ( 1.815 -1.279 -6.468) 6.838 7.402 ( -5.522 -22.594 -1.716) 23.322 7.514 ( 1.885 -17.199 -0.680) 17.315 8.074 ( -6.882 8.751 -0.556) 11.147 8.116 ( -3.657 12.275 -2.231) 13.001 8.383 ( 10.436 -11.992 -5.449) 16.806 9.289 ( 0.309 1.396 0.736) 1.608 9.512 ( -4.697 1.712 8.185) 9.591 9.944 ( -2.420 -6.410 1.490) 7.012 10.484 ( -4.421 3.470 -8.432) 10.133 10.596 ( 21.666 17.796 -10.679) 30.003 11.330 ( -15.921 6.450 2.793) 17.403 11.610 ( -5.769 -1.313 -2.047) 6.261 11.798 ( 12.850 4.364 0.282) 13.574 11.967 ( 0.804 9.712 1.348) 9.838 12.277 ( 2.284 25.737 -5.397) 26.396 13.378 ( -1.491 -13.661 3.477) 14.176 13.468 ( 0.861 3.775 -2.873) 4.822 14.471 ( 0.250 5.421 0.407) 5.442 15.230 ( 0.595 -5.875 -1.074) 6.002 15.377 ( -0.358 1.812 0.084) 1.849 16.063 ( -0.329 -0.800 4.117) 4.207 16.249 ( -0.394 3.200 0.188) 3.230 16.925 ( -2.083 -6.225 -3.967) 7.670 ======================= Grid point 274 (124/300) ======================= q-point: ( 0.18 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 22.038 -0.000 8.421) 23.592 3.033 ( 7.255 -0.000 20.442) 21.691 3.587 ( -5.817 0.000 -2.246) 6.236 3.951 ( 17.953 -0.000 -6.018) 18.935 4.178 ( 26.656 -0.000 1.076) 26.678 4.320 ( 3.729 -0.000 -1.639) 4.073 4.592 ( -16.375 0.000 -6.527) 17.628 4.878 ( -19.513 0.000 1.352) 19.560 5.656 ( -12.512 0.000 -3.615) 13.024 5.798 ( 10.472 -0.000 4.052) 11.229 6.294 ( -12.790 0.000 -2.546) 13.041 6.350 ( -8.258 0.000 -0.203) 8.260 6.784 ( -8.102 0.000 -9.341) 12.365 6.939 ( 4.423 -0.000 -4.114) 6.041 7.055 ( 3.549 -0.000 5.830) 6.825 7.510 ( -2.210 0.000 -9.363) 9.620 8.233 ( -0.963 0.000 2.187) 2.390 8.596 ( -4.801 0.000 10.406) 11.460 9.309 ( 3.582 -0.000 -1.606) 3.925 9.466 ( 2.612 -0.000 -3.709) 4.537 9.729 ( 0.442 -0.000 -5.271) 5.290 10.448 ( 3.866 -0.000 0.936) 3.978 10.675 ( -9.966 0.000 9.667) 13.885 11.570 ( -4.484 0.000 -3.538) 5.712 11.759 ( 6.993 -0.000 -5.102) 8.657 12.181 ( -6.724 0.000 6.685) 9.481 12.466 ( 17.694 -0.000 -8.331) 19.557 12.619 ( -2.567 0.000 0.857) 2.706 13.283 ( 13.984 -0.000 5.776) 15.130 13.815 ( 5.553 -0.000 -2.612) 6.137 14.396 ( -5.418 0.000 -5.347) 7.612 15.089 ( -3.061 0.000 4.897) 5.775 15.307 ( -1.449 0.000 0.079) 1.451 15.945 ( -6.614 0.000 4.328) 7.905 16.450 ( 5.801 -0.000 1.323) 5.950 16.624 ( 0.398 -0.000 -12.407) 12.413 ======================= Grid point 275 (125/300) ======================= q-point: ( 0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 11.538 1.328 4.586) 12.487 3.234 ( 6.219 0.192 12.394) 13.868 3.518 ( -0.199 -0.822 -1.821) 2.007 4.089 ( 4.640 10.290 -3.692) 11.876 4.289 ( -9.815 -3.558 -5.318) 11.717 4.450 ( 4.640 -8.255 -0.468) 9.481 4.504 ( -0.984 -4.783 0.200) 4.887 4.594 ( -4.037 -0.990 -1.686) 4.485 5.339 ( -20.758 1.683 -1.803) 20.904 5.969 ( 7.825 4.665 -1.333) 9.207 6.120 ( -2.661 4.263 -5.157) 7.201 6.268 ( -2.415 -4.173 -9.612) 10.754 6.635 ( -2.139 3.527 1.926) 4.552 7.043 ( 10.300 1.398 -3.084) 10.842 7.136 ( 1.650 -1.522 3.753) 4.373 7.416 ( -2.757 0.633 -8.075) 8.556 8.199 ( -3.907 3.027 4.994) 7.026 8.578 ( -6.440 -4.006 11.229) 13.550 9.375 ( 4.581 -1.536 -2.526) 5.452 9.488 ( 3.038 -0.606 -5.724) 6.508 9.745 ( 4.593 -1.536 -5.166) 7.081 10.487 ( -0.123 1.516 1.816) 2.369 10.585 ( -8.417 -2.417 9.742) 13.100 11.426 ( -11.553 -3.089 -4.157) 12.661 11.814 ( 3.310 0.577 -5.582) 6.515 12.160 ( 0.165 -2.251 7.413) 7.749 12.520 ( 6.878 14.300 -2.321) 16.037 12.753 ( 5.220 -10.158 -2.403) 11.671 13.532 ( 9.077 -1.674 12.431) 15.483 13.867 ( 3.971 0.945 -6.794) 7.926 14.246 ( -8.989 -1.050 -6.500) 11.142 15.058 ( -2.847 2.116 3.542) 5.013 15.306 ( 0.140 -2.864 -0.200) 2.874 15.864 ( -4.447 1.412 2.305) 5.204 16.542 ( 5.139 2.192 -1.357) 5.749 16.597 ( 3.708 -1.167 -6.188) 7.308 ======================= Grid point 276 (126/300) ======================= q-point: (-0.64 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -4.789 9.377 2.052) 10.728 3.362 ( 2.354 3.740 2.869) 5.269 3.542 ( 0.107 -0.999 -0.040) 1.005 3.910 ( -4.469 6.835 -3.082) 8.728 4.277 ( -12.993 -2.747 -0.535) 13.291 4.310 ( 4.349 -2.419 -2.081) 5.394 4.628 ( 3.419 -10.870 -0.043) 11.395 4.768 ( 6.142 -10.527 1.202) 12.247 4.997 ( -18.093 -1.434 -0.254) 18.151 5.929 ( 2.218 11.096 -6.320) 12.961 6.072 ( 0.163 1.076 -4.567) 4.695 6.172 ( -0.468 2.084 -14.038) 14.200 6.665 ( 4.567 4.706 2.730) 7.103 7.127 ( 0.536 1.016 -3.045) 3.254 7.208 ( 5.342 6.079 5.769) 9.939 7.360 ( 2.728 -4.813 -7.712) 9.492 8.143 ( -1.770 2.846 6.674) 7.468 8.590 ( -6.708 -7.706 10.253) 14.474 9.440 ( 2.786 -1.720 -3.093) 4.504 9.508 ( 2.010 -0.926 -5.129) 5.586 9.850 ( 9.059 -3.175 -6.322) 11.494 10.437 ( -4.129 3.177 5.639) 7.677 10.558 ( -6.191 -4.910 6.510) 10.238 11.259 ( -10.140 -6.754 -3.142) 12.583 11.803 ( 1.423 2.959 -4.726) 5.754 12.297 ( 5.978 -5.159 7.126) 10.636 12.486 ( 6.534 13.501 -0.442) 15.005 12.840 ( -2.588 -4.595 0.766) 5.330 13.714 ( 5.900 5.015 0.644) 7.770 13.824 ( -6.834 -0.787 3.302) 7.630 14.110 ( -4.037 -6.120 -5.648) 9.255 14.990 ( -2.300 3.863 -1.544) 4.754 15.362 ( 1.454 -5.707 -0.561) 5.916 15.805 ( -1.232 2.941 1.008) 3.344 16.579 ( 5.733 3.596 -3.270) 7.516 16.677 ( 3.930 -2.828 0.270) 4.849 ======================= Grid point 277 (127/300) ======================= q-point: (-0.55 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -11.080 15.610 3.210) 19.410 3.145 ( -13.555 16.007 -0.846) 20.992 3.604 ( 0.767 -6.087 2.412) 6.592 3.852 ( 2.410 2.716 -1.022) 3.772 4.129 ( -5.112 -2.101 -4.925) 7.404 4.374 ( -2.210 -3.324 -1.351) 4.214 4.763 ( 0.508 -8.982 -1.916) 9.199 4.819 ( -5.650 -2.226 6.310) 8.757 5.013 ( 7.301 -16.231 1.063) 17.829 5.815 ( 0.066 11.149 -3.505) 11.687 5.964 ( -2.012 2.696 -12.925) 13.355 6.142 ( 4.982 5.600 -2.875) 8.028 6.643 ( 1.323 7.815 -4.150) 8.947 7.080 ( -2.679 -1.321 -1.917) 3.549 7.212 ( -1.779 -0.361 2.810) 3.345 7.493 ( 10.084 -0.956 -4.518) 11.091 8.198 ( 5.946 0.329 5.108) 7.846 8.604 ( -7.934 -8.482 8.661) 14.488 9.448 ( -1.417 -1.269 -3.084) 3.623 9.509 ( 0.365 -0.228 -3.611) 3.636 9.999 ( 9.174 -2.095 -5.923) 11.120 10.403 ( -0.506 1.100 5.291) 5.428 10.526 ( -6.901 -4.136 5.190) 9.574 11.224 ( -2.550 -11.195 -1.859) 11.631 11.762 ( 0.830 4.617 -2.899) 5.514 12.451 ( 10.739 13.173 -1.360) 17.050 12.533 ( 4.039 -6.940 9.064) 12.110 12.775 ( -9.310 -0.568 3.378) 9.920 13.505 ( -12.364 8.307 -9.452) 17.641 13.802 ( -2.750 3.258 4.596) 6.269 14.195 ( 2.528 -11.786 2.633) 12.338 14.914 ( 0.482 3.550 -5.866) 6.874 15.435 ( 1.104 -5.879 -1.519) 6.171 15.779 ( 0.537 2.966 1.361) 3.307 16.610 ( 3.434 4.697 -0.982) 5.901 16.776 ( 4.787 -3.700 -0.535) 6.074 ======================= Grid point 278 (128/300) ======================= q-point: (-0.45 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -12.380 18.881 9.457) 24.478 2.720 ( -15.337 21.814 1.739) 26.723 3.643 ( -5.508 -4.949 3.288) 8.102 3.890 ( 4.118 1.148 -0.015) 4.276 4.111 ( 3.756 -4.663 -6.043) 8.507 4.280 ( -8.648 3.183 -2.939) 9.673 4.710 ( -5.061 5.735 4.505) 8.877 4.900 ( -0.229 -8.858 0.234) 8.864 5.284 ( 8.370 -5.490 2.135) 10.235 5.737 ( 2.146 -2.133 -0.060) 3.026 5.881 ( 3.856 2.979 -12.164) 13.103 6.164 ( 3.230 0.875 -0.359) 3.366 6.594 ( 3.596 2.946 -4.257) 6.303 7.060 ( -1.806 -5.321 -3.990) 6.891 7.201 ( -3.563 -2.607 2.568) 5.107 7.627 ( 9.297 -0.443 -4.459) 10.321 8.345 ( 8.990 1.439 2.144) 9.354 8.577 ( -9.937 -7.243 6.380) 13.853 9.402 ( -3.518 -1.711 -1.390) 4.151 9.482 ( -0.574 1.603 -2.680) 3.175 10.091 ( 2.093 -0.713 -0.851) 2.370 10.457 ( 2.644 -2.170 3.336) 4.778 10.486 ( -1.829 -0.633 0.617) 2.031 11.343 ( 3.350 -12.017 -1.442) 12.558 11.722 ( 1.268 5.108 -0.115) 5.264 12.484 ( 10.549 14.023 -1.399) 17.603 12.604 ( -10.032 2.442 3.675) 10.959 12.711 ( -1.412 -6.538 6.426) 9.275 13.175 ( -12.189 3.479 -5.265) 13.726 13.704 ( -4.652 6.723 0.673) 8.203 14.375 ( 2.543 -10.847 5.119) 12.261 14.886 ( 3.837 1.754 -7.320) 8.448 15.481 ( -0.059 -3.514 -1.895) 3.993 15.785 ( 1.106 0.222 2.086) 2.372 16.580 ( -0.482 5.599 -0.213) 5.624 16.886 ( 5.243 -3.455 -3.624) 7.249 ======================= Grid point 279 (129/300) ======================= q-point: (-0.36 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -8.740 18.345 19.511) 28.171 2.286 ( -11.528 26.170 5.770) 29.173 3.553 ( -9.030 -0.437 1.522) 9.167 3.906 ( -15.605 29.687 2.082) 33.603 3.963 ( 1.639 -2.053 0.201) 2.635 4.254 ( 9.212 -6.563 -5.052) 12.387 4.649 ( -0.053 0.355 5.204) 5.217 4.924 ( -2.823 -2.820 -2.925) 4.948 5.387 ( 3.639 0.403 1.637) 4.011 5.885 ( 7.599 2.301 -10.562) 13.213 5.975 ( 9.259 -17.509 2.986) 20.030 6.245 ( 2.506 -8.224 -0.366) 8.605 6.676 ( 7.871 -4.185 -1.310) 9.011 7.061 ( -2.140 -6.328 -5.200) 8.465 7.164 ( -4.982 -2.160 1.040) 5.529 7.774 ( 9.998 -2.820 -4.061) 11.153 8.449 ( -0.391 -1.159 2.589) 2.863 8.491 ( -4.370 1.251 1.134) 4.685 9.375 ( -1.415 -2.350 0.088) 2.745 9.439 ( -0.440 2.756 -0.794) 2.901 10.061 ( -8.468 -1.769 5.402) 10.199 10.493 ( 5.864 4.001 -4.290) 8.294 10.552 ( 3.411 -4.229 0.262) 5.440 11.498 ( 5.747 -5.562 -1.785) 8.194 11.694 ( -0.965 4.560 2.211) 5.159 12.400 ( -1.147 12.496 -0.119) 12.549 12.483 ( -10.448 9.853 -2.465) 14.572 12.671 ( 0.030 -6.801 1.336) 6.931 13.099 ( -0.089 -1.839 1.162) 2.177 13.560 ( -4.744 5.836 1.623) 7.694 14.516 ( 1.091 -6.064 4.629) 7.706 14.925 ( 5.828 -1.505 -6.361) 8.758 15.476 ( -1.410 -0.456 -1.627) 2.201 15.838 ( 1.478 -3.694 2.965) 4.962 16.497 ( -2.590 5.747 -0.177) 6.306 16.949 ( 2.536 -2.421 -8.180) 8.899 ======================= Grid point 280 (130/300) ======================= q-point: (-0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -3.181 27.870 10.432) 29.928 2.051 ( -3.089 15.617 29.228) 33.283 3.275 ( -16.055 44.817 6.784) 48.087 3.411 ( -7.366 1.834 -0.263) 7.595 4.023 ( 0.997 -2.121 0.619) 2.424 4.422 ( 7.913 -1.582 -4.162) 9.080 4.745 ( 4.107 -5.165 5.500) 8.591 4.868 ( -1.241 -0.519 -3.689) 3.926 5.461 ( 0.987 -6.096 1.172) 6.285 5.955 ( 9.400 1.556 -8.540) 12.795 6.253 ( 2.342 -9.784 7.305) 12.432 6.412 ( 5.327 -17.540 -3.845) 18.730 6.904 ( 9.908 -10.620 1.307) 14.583 7.035 ( -6.233 -5.926 -1.027) 8.662 7.105 ( -3.074 -3.564 -5.375) 7.145 7.960 ( 9.943 -5.907 -3.541) 12.095 8.328 ( -12.073 -2.710 2.432) 12.610 8.479 ( 4.272 10.316 -2.491) 11.440 9.370 ( -0.495 2.584 -0.298) 2.647 9.446 ( 1.855 -2.178 3.727) 4.699 9.938 ( -12.060 -2.457 6.448) 13.894 10.528 ( 5.038 2.936 -5.598) 8.084 10.653 ( 7.127 -0.828 -2.873) 7.729 11.561 ( -5.587 0.700 0.507) 5.654 11.670 ( 9.061 3.959 -0.507) 9.901 12.103 ( -17.070 11.137 -5.282) 21.055 12.310 ( 3.817 13.879 2.214) 14.564 12.851 ( 4.968 -13.841 2.856) 14.981 13.011 ( -3.930 11.838 -5.794) 13.753 13.520 ( 1.112 0.856 3.919) 4.163 14.573 ( 0.105 -0.008 2.801) 2.803 15.020 ( 5.003 -4.879 -4.157) 8.131 15.436 ( -1.812 0.869 -1.165) 2.323 15.928 ( 1.115 -5.670 4.380) 7.251 16.399 ( -2.459 5.290 -0.170) 5.836 16.913 ( -2.592 -2.169 -11.564) 12.048 ======================= Grid point 281 (131/300) ======================= q-point: (-0.18 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 7.102 26.290 14.838) 31.012 2.057 ( -0.627 16.190 29.693) 33.826 2.750 ( -0.157 42.595 15.921) 45.474 3.303 ( -1.459 3.175 -1.796) 3.929 4.027 ( -2.483 -0.936 -0.523) 2.704 4.451 ( 3.573 8.356 -4.535) 10.157 4.897 ( 3.498 -11.796 -7.625) 14.475 4.922 ( 4.027 -2.646 10.596) 11.640 5.542 ( -1.244 -9.187 1.925) 9.468 6.044 ( 7.901 1.327 -7.987) 11.313 6.364 ( -2.768 -7.949 8.461) 11.935 6.617 ( 3.451 -9.414 -3.195) 10.523 6.983 ( -5.902 -7.092 0.762) 9.258 7.035 ( -3.396 -8.067 -7.928) 11.809 7.195 ( 2.972 -15.804 1.192) 16.126 8.127 ( 2.063 -4.794 -3.104) 6.073 8.200 ( -3.500 -0.516 -1.049) 3.690 8.397 ( 2.573 11.347 -2.665) 11.936 9.322 ( -2.492 2.161 1.636) 3.682 9.536 ( 1.988 -0.102 5.983) 6.305 9.831 ( -6.694 -4.703 2.838) 8.659 10.516 ( -1.488 0.384 -4.990) 5.221 10.784 ( 14.509 4.362 -6.173) 16.360 11.431 ( -6.182 3.527 1.012) 7.188 11.706 ( -12.917 10.008 -4.464) 16.940 11.851 ( 15.453 2.752 -1.229) 15.745 12.231 ( -0.299 15.460 2.910) 15.734 12.769 ( 3.081 23.252 -7.878) 24.743 13.066 ( -1.268 -17.792 3.394) 18.157 13.551 ( 3.618 4.531 -0.014) 5.799 14.566 ( 0.315 3.809 1.135) 3.987 15.112 ( 1.657 -6.179 -2.607) 6.908 15.400 ( -0.889 0.838 -0.252) 1.247 16.015 ( -0.252 -4.681 5.126) 6.947 16.326 ( -0.466 4.620 -0.043) 4.643 16.804 ( -6.400 -5.617 -9.673) 12.888 ======================= Grid point 282 (132/300) ======================= q-point: (-0.09 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 9.356 22.212 16.258) 29.073 2.108 ( 15.290 20.459 23.118) 34.450 2.721 ( 16.674 22.682 25.265) 37.826 3.307 ( 6.867 1.378 -3.557) 7.855 3.955 ( -5.045 1.223 -1.558) 5.420 4.390 ( 3.344 9.495 -4.442) 11.003 5.002 ( 0.263 -10.932 -6.696) 12.822 5.076 ( 2.977 -3.106 10.694) 11.527 5.605 ( -4.433 -10.692 2.209) 11.784 6.061 ( 1.069 3.113 -6.949) 7.689 6.430 ( -2.196 -6.548 5.246) 8.673 6.660 ( 0.148 1.623 3.183) 3.576 6.961 ( -1.368 -3.294 -9.537) 10.182 7.045 ( -9.232 -21.138 -1.814) 23.138 7.301 ( -7.850 -12.697 0.347) 14.932 8.050 ( -8.689 8.176 -5.363) 13.081 8.140 ( 4.160 2.834 -1.316) 5.202 8.442 ( 6.268 -2.156 -2.010) 6.927 9.287 ( -1.690 -0.562 2.188) 2.821 9.522 ( -3.162 5.894 5.284) 8.524 9.846 ( -1.417 -7.600 -2.236) 8.048 10.418 ( -2.924 4.838 -4.213) 7.050 10.952 ( 8.765 1.256 -2.564) 9.218 11.308 ( 3.472 11.624 -0.642) 12.149 11.546 ( 0.771 -2.280 -0.497) 2.458 12.026 ( -5.341 16.010 -0.648) 16.890 12.103 ( 18.439 2.542 -2.830) 18.828 12.656 ( 14.859 23.831 -4.961) 28.518 13.123 ( -12.417 -13.591 1.225) 18.450 13.580 ( 6.460 5.002 -0.042) 8.170 14.538 ( 1.241 4.621 -0.385) 4.800 15.152 ( -2.246 -5.681 -1.446) 6.278 15.386 ( -0.350 0.831 0.531) 1.046 16.059 ( -1.799 -2.464 4.819) 5.704 16.296 ( 1.877 4.200 -0.013) 4.601 16.738 ( -5.757 -11.091 -6.072) 13.894 ======================= Grid point 286 (133/300) ======================= q-point: ( 0.27 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -0.773 0.000 -0.237) 0.809 3.370 ( 3.565 -0.000 7.376) 8.192 3.555 ( 2.477 -0.000 -1.761) 3.039 4.004 ( -8.204 0.000 -3.728) 9.012 4.228 ( -9.999 0.000 3.160) 10.486 4.297 ( 0.530 -0.000 -7.283) 7.303 4.481 ( 3.916 -0.000 0.796) 3.996 4.678 ( 5.370 -0.000 1.781) 5.658 4.985 ( -20.282 0.000 0.432) 20.287 6.079 ( 0.440 -0.000 -4.109) 4.133 6.084 ( -0.832 0.000 -7.668) 7.713 6.144 ( 4.184 -0.000 -16.085) 16.620 6.711 ( 4.096 -0.000 5.308) 6.705 7.141 ( -0.866 0.000 -0.709) 1.119 7.273 ( 16.336 -0.000 0.794) 16.355 7.322 ( -4.612 0.000 -5.534) 7.205 8.176 ( -5.484 0.000 7.655) 9.417 8.499 ( -6.614 0.000 9.685) 11.728 9.421 ( 3.240 -0.000 -3.473) 4.750 9.498 ( 2.186 -0.000 -5.007) 5.463 9.818 ( 9.446 -0.000 -6.071) 11.229 10.486 ( -2.482 0.000 1.050) 2.695 10.492 ( -8.094 0.000 10.941) 13.609 11.197 ( -10.292 0.000 -3.307) 10.810 11.839 ( 2.971 -0.000 -5.642) 6.377 12.232 ( 4.006 -0.000 9.519) 10.327 12.672 ( 1.540 -0.000 2.118) 2.619 12.753 ( 4.330 -0.000 -4.804) 6.468 13.715 ( 3.702 -0.000 18.484) 18.851 13.889 ( 3.238 -0.000 -10.593) 11.076 14.021 ( -11.902 0.000 -8.066) 14.377 15.038 ( -2.079 0.000 -0.878) 2.257 15.295 ( 1.029 -0.000 -0.655) 1.220 15.834 ( -1.217 0.000 0.873) 1.498 16.619 ( 4.798 -0.000 -4.454) 6.547 16.643 ( 4.414 -0.000 1.381) 4.625 ======================= Grid point 287 (134/300) ======================= q-point: (-0.64 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( -5.661 8.478 -1.078) 10.251 3.388 ( -6.981 8.220 0.396) 10.792 3.494 ( -3.101 -4.811 2.229) 6.143 3.935 ( 0.216 6.006 -0.184) 6.012 4.074 ( -6.197 -4.269 -2.635) 7.973 4.329 ( 1.053 -1.151 -1.884) 2.446 4.555 ( 0.018 -9.261 -3.549) 9.918 4.774 ( -5.988 -1.869 6.015) 8.691 4.798 ( 5.545 -5.200 3.498) 8.368 5.978 ( -0.163 3.150 -11.184) 11.621 6.002 ( -2.025 3.218 -7.888) 8.757 6.212 ( 7.673 1.076 -7.216) 10.588 6.760 ( 0.990 3.674 0.403) 3.826 7.093 ( -2.718 0.453 -4.536) 5.307 7.202 ( -7.068 0.181 -0.625) 7.098 7.527 ( 13.548 3.494 1.694) 14.093 8.148 ( -3.863 -4.393 8.671) 10.460 8.487 ( -2.331 -2.822 5.684) 6.761 9.422 ( -1.550 -1.035 -3.677) 4.122 9.503 ( 1.201 -0.251 -3.529) 3.736 9.975 ( 12.288 -0.538 -5.519) 13.481 10.425 ( -3.782 1.034 5.672) 6.895 10.455 ( -5.298 -2.728 4.852) 7.685 11.090 ( -2.203 -3.273 -2.424) 4.631 11.846 ( 2.781 3.219 -3.013) 5.213 12.384 ( 4.001 -4.840 11.406) 13.020 12.666 ( 2.703 6.592 0.298) 7.131 12.762 ( -3.979 -1.171 0.239) 4.155 13.695 ( -10.131 11.340 -8.764) 17.551 13.836 ( -0.266 0.625 7.270) 7.301 13.962 ( -0.059 -12.290 0.241) 12.292 14.985 ( 0.280 2.951 -6.142) 6.820 15.335 ( 1.808 -3.728 -0.988) 4.260 15.823 ( -0.194 1.386 0.670) 1.552 16.676 ( 4.204 2.155 -1.151) 4.863 16.718 ( 3.569 -2.088 0.354) 4.150 ======================= Grid point 288 (135/300) ======================= q-point: (-0.55 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -8.179 16.163 3.228) 18.400 3.102 ( -10.427 17.138 0.604) 20.070 3.534 ( -3.806 -6.702 4.714) 9.035 3.904 ( 1.283 0.956 0.356) 1.639 4.029 ( -2.008 -4.000 -5.027) 6.731 4.306 ( -0.047 1.565 -2.137) 2.649 4.645 ( 0.272 -11.395 -2.584) 11.687 4.806 ( -0.360 -0.653 7.273) 7.311 5.048 ( 11.777 -13.068 3.490) 17.935 5.866 ( -2.408 8.637 -5.394) 10.464 5.918 ( 2.232 1.153 -10.405) 10.704 6.244 ( 2.745 5.572 -3.361) 7.062 6.686 ( -0.637 5.959 -4.814) 7.687 7.006 ( -3.638 -0.400 -3.930) 5.370 7.124 ( -6.041 -4.861 2.620) 8.185 7.659 ( 8.152 3.849 -0.976) 9.068 8.228 ( -4.496 -12.168 8.779) 15.663 8.528 ( 4.415 1.377 0.544) 4.656 9.360 ( -4.736 -2.238 -2.582) 5.840 9.500 ( 0.594 0.520 -2.271) 2.405 10.103 ( 3.411 1.789 1.340) 4.078 10.411 ( -1.894 -3.069 1.782) 4.023 10.465 ( 3.786 -0.992 0.848) 4.005 11.161 ( 6.564 -6.417 -2.134) 9.424 11.838 ( 2.542 6.142 0.694) 6.684 12.555 ( -0.559 -7.480 11.953) 14.111 12.648 ( -2.268 2.832 2.534) 4.425 12.663 ( -3.266 3.091 -0.659) 4.545 13.363 ( -7.975 14.966 -7.465) 18.529 13.789 ( -4.980 1.861 -0.099) 5.317 14.141 ( 2.798 -13.088 6.714) 14.974 14.941 ( 3.561 3.555 -8.450) 9.834 15.398 ( 1.573 -4.497 -1.520) 5.001 15.805 ( -0.925 1.373 1.171) 2.027 16.673 ( -0.129 4.045 -0.715) 4.110 16.814 ( 4.302 -3.806 -1.664) 5.981 ======================= Grid point 289 (136/300) ======================= q-point: (-0.45 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -6.419 19.259 11.364) 23.264 2.766 ( -7.523 23.501 3.311) 24.897 3.526 ( -6.225 -2.932 4.837) 8.411 3.917 ( -1.061 -2.276 -1.011) 2.707 4.087 ( 5.758 -8.200 -5.338) 11.353 4.292 ( 3.214 8.904 0.363) 9.473 4.706 ( -1.754 -0.707 1.473) 2.397 4.800 ( -4.036 -2.864 3.099) 5.839 5.391 ( 10.489 -7.797 3.905) 13.641 5.748 ( 1.347 0.953 -3.507) 3.876 5.911 ( 3.746 0.138 -7.465) 8.354 6.184 ( -1.346 1.871 -2.342) 3.286 6.651 ( 3.699 1.105 -3.254) 5.048 6.961 ( -1.639 -4.366 -5.264) 7.033 7.092 ( -6.277 -5.291 2.593) 8.610 7.752 ( 7.943 0.576 -3.322) 8.628 8.267 ( -10.881 -12.484 7.736) 18.278 8.605 ( 8.953 5.718 -2.647) 10.948 9.312 ( -2.697 -3.776 -0.830) 4.714 9.486 ( 0.269 2.017 -0.918) 2.233 10.062 ( -7.926 1.925 7.216) 10.891 10.440 ( -2.104 -6.369 2.319) 7.097 10.582 ( 12.890 4.007 -6.628) 15.038 11.373 ( 11.907 -6.593 -2.673) 13.870 11.815 ( 0.502 7.156 3.047) 7.794 12.486 ( -7.959 1.728 4.435) 9.274 12.571 ( -12.640 -2.106 -1.807) 12.941 12.688 ( 2.701 1.283 5.200) 5.999 13.161 ( 4.491 12.769 -0.128) 13.536 13.662 ( -6.471 3.787 0.618) 7.523 14.346 ( 3.181 -11.309 6.022) 13.202 14.940 ( 5.532 2.538 -8.494) 10.450 15.442 ( 0.298 -2.982 -1.755) 3.473 15.792 ( -1.182 -1.135 1.906) 2.513 16.599 ( -2.688 4.852 -1.192) 5.673 16.884 ( 1.592 -4.009 -5.541) 7.022 ======================= Grid point 290 (137/300) ======================= q-point: (-0.36 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -2.231 18.628 18.829) 26.580 2.481 ( -1.355 26.461 8.098) 27.705 3.449 ( -5.833 1.943 2.644) 6.692 3.898 ( -2.445 2.861 -2.636) 4.595 4.097 ( -2.060 23.986 3.212) 24.288 4.307 ( 8.275 -7.980 -3.930) 12.149 4.677 ( -0.595 -0.150 6.228) 6.258 4.816 ( -2.016 -7.136 -0.513) 7.433 5.459 ( 0.537 6.312 2.144) 6.688 5.942 ( 7.631 -8.911 -9.491) 15.091 5.982 ( 7.257 -12.440 3.813) 14.898 6.172 ( -0.700 -5.387 -3.257) 6.333 6.742 ( 5.283 -5.420 1.257) 7.672 6.954 ( -0.792 -3.953 -6.073) 7.289 7.040 ( -6.546 -4.348 0.215) 7.862 7.876 ( 8.440 -2.791 -4.456) 9.943 8.218 ( -10.744 -8.441 5.218) 14.626 8.651 ( 5.818 7.714 -3.340) 10.223 9.343 ( 1.410 -4.682 0.488) 4.914 9.459 ( -0.655 3.018 1.140) 3.292 9.929 ( -10.469 1.627 7.586) 13.030 10.472 ( -3.157 -6.963 1.019) 7.713 10.719 ( 14.600 6.247 -7.339) 17.494 11.572 ( 6.164 -0.059 -1.997) 6.479 11.761 ( 2.189 5.317 1.121) 5.858 12.266 ( -17.046 5.683 -3.146) 18.241 12.447 ( -1.131 -2.591 3.302) 4.348 12.734 ( 2.708 3.206 4.366) 6.056 13.177 ( 4.457 8.621 1.370) 9.801 13.569 ( 0.111 3.823 4.172) 5.660 14.510 ( 2.226 -6.731 4.942) 8.642 14.972 ( 5.172 -0.002 -7.592) 9.186 15.439 ( -1.316 -0.696 -1.716) 2.272 15.820 ( -0.670 -5.138 3.124) 6.051 16.495 ( -3.022 4.688 -1.413) 5.754 16.861 ( -3.396 -3.111 -10.093) 11.094 ======================= Grid point 291 (138/300) ======================= q-point: (-0.27 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 5.273 23.475 12.989) 27.343 2.349 ( 1.355 18.762 22.912) 29.645 3.346 ( -2.655 5.915 -0.112) 6.484 3.621 ( 0.784 39.943 4.933) 40.254 3.985 ( -2.968 -2.410 -0.303) 3.835 4.505 ( 8.048 -6.136 -3.379) 10.670 4.706 ( -1.503 -4.992 -2.562) 5.809 4.887 ( 2.912 -3.273 7.594) 8.767 5.426 ( -1.870 -0.143 2.051) 2.779 6.048 ( 6.512 -3.772 -6.396) 9.876 6.195 ( -3.309 -8.075 1.145) 8.802 6.290 ( 5.677 -19.318 -1.178) 20.169 6.876 ( -1.959 -5.997 -0.260) 6.315 6.955 ( -1.704 -4.412 5.216) 7.041 6.977 ( -0.759 -5.399 -9.569) 11.013 8.018 ( 7.144 -5.019 -4.939) 10.031 8.165 ( -5.194 -4.190 2.768) 7.224 8.599 ( 0.238 9.334 -3.745) 10.060 9.369 ( -3.304 2.154 1.867) 4.364 9.486 ( 4.020 -4.112 2.807) 6.399 9.800 ( -7.455 1.352 5.333) 9.265 10.476 ( -3.085 -4.806 -1.091) 5.814 10.859 ( 13.360 4.810 -5.574) 15.254 11.508 ( -4.653 5.207 0.706) 7.018 11.846 ( 1.352 3.006 -6.984) 7.722 11.959 ( -0.963 8.458 1.957) 8.735 12.454 ( -2.541 3.894 2.539) 5.298 12.788 ( -0.957 -7.423 4.216) 8.590 13.131 ( 6.210 15.805 -1.351) 17.035 13.634 ( 6.787 4.332 4.727) 9.336 14.595 ( 0.907 -1.157 2.885) 3.238 15.015 ( 2.345 -3.536 -5.811) 7.195 15.410 ( -1.136 0.054 -1.243) 1.685 15.892 ( -1.229 -7.706 4.853) 9.189 16.410 ( -1.094 3.980 -1.258) 4.315 16.726 ( -7.809 -2.613 -12.219) 14.734 ======================= Grid point 292 (139/300) ======================= q-point: (-0.18 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 8.865 25.032 12.058) 29.164 2.397 ( 5.428 12.781 26.377) 29.808 3.277 ( 8.943 16.632 2.276) 19.021 3.422 ( 9.537 25.083 4.532) 27.215 3.945 ( -4.760 -2.303 -0.871) 5.359 4.579 ( 4.702 8.462 -2.426) 9.980 4.758 ( 0.643 -13.965 -8.051) 16.132 5.025 ( 2.916 -3.040 11.208) 11.974 5.417 ( -5.481 -6.794 2.588) 9.104 6.119 ( 5.018 2.717 -9.256) 10.873 6.232 ( -6.394 -14.520 5.580) 16.818 6.504 ( -0.891 -18.058 -1.205) 18.120 6.833 ( -3.411 0.059 1.917) 3.913 6.900 ( -2.617 -3.694 -11.453) 12.315 7.078 ( -2.155 -10.031 3.402) 10.809 8.125 ( 0.145 -1.165 -6.902) 7.001 8.148 ( 1.952 -0.845 1.796) 2.784 8.481 ( -1.024 5.616 -2.341) 6.171 9.294 ( -3.831 1.490 2.917) 5.041 9.592 ( 1.158 -0.758 2.887) 3.202 9.734 ( -2.260 -1.941 0.652) 3.050 10.452 ( -1.945 -0.991 -2.044) 2.991 10.982 ( 6.683 2.226 -1.676) 7.241 11.433 ( 1.242 3.048 1.188) 3.499 11.634 ( -4.648 8.816 -2.714) 10.329 12.117 ( 13.300 1.721 -1.666) 13.514 12.322 ( -2.509 11.043 -0.021) 11.325 12.844 ( -8.396 -12.495 2.800) 15.312 13.101 ( 12.348 21.086 -1.679) 24.493 13.710 ( 7.355 7.927 1.328) 10.895 14.604 ( -0.072 1.973 0.532) 2.045 15.041 ( -1.333 -5.628 -3.467) 6.743 15.395 ( -0.066 0.109 -0.441) 0.459 15.966 ( -2.979 -7.751 6.172) 10.346 16.377 ( 2.086 3.651 -0.752) 4.272 16.563 ( -7.559 -5.889 -10.634) 14.314 ======================= Grid point 293 (140/300) ======================= q-point: (-0.09 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 13.784 20.696 11.708) 27.485 2.575 ( 9.744 8.423 25.680) 28.729 3.403 ( 17.657 7.501 2.594) 19.359 3.463 ( 17.339 17.049 1.574) 24.368 3.867 ( -4.268 1.373 -0.314) 4.495 4.542 ( 5.441 11.824 -3.578) 13.499 4.822 ( -3.929 -11.697 -6.799) 14.089 5.157 ( 2.082 -2.457 10.732) 11.205 5.381 ( -10.938 -11.030 1.268) 15.585 6.065 ( -0.635 4.803 -5.716) 7.493 6.295 ( -6.599 -13.311 2.582) 15.080 6.575 ( -8.683 -14.954 -1.114) 17.328 6.825 ( -0.065 -1.398 3.747) 4.000 6.828 ( -1.835 -4.105 -13.356) 14.092 7.119 ( -2.964 -5.329 2.323) 6.525 7.927 ( -10.062 7.628 -8.759) 15.367 8.234 ( 3.443 0.429 0.716) 3.543 8.489 ( 2.723 -2.382 1.300) 3.844 9.275 ( 0.418 -0.847 1.547) 1.812 9.556 ( -2.587 5.282 2.368) 6.340 9.751 ( -0.154 -4.270 -3.783) 5.707 10.416 ( -0.117 2.085 -1.455) 2.545 10.972 ( -5.506 3.218 5.281) 8.281 11.535 ( 12.033 4.540 -1.667) 12.968 11.566 ( 3.451 -2.186 0.299) 4.096 12.087 ( -2.032 12.474 -2.198) 12.828 12.407 ( 15.805 2.631 -3.012) 16.304 12.760 ( -15.404 -10.582 1.285) 18.732 13.102 ( 13.727 21.054 -3.079) 25.321 13.755 ( 6.812 7.822 0.835) 10.407 14.571 ( -1.147 2.234 -1.341) 2.847 15.043 ( -3.342 -5.852 -0.506) 6.758 15.390 ( -0.189 0.883 -0.053) 0.905 16.000 ( -5.060 -5.631 6.270) 9.830 16.382 ( 2.838 4.386 -0.130) 5.226 16.508 ( -2.012 -11.191 -9.532) 14.837 ======================= Grid point 298 (141/300) ======================= q-point: (-0.64 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -5.299 0.000 -1.086) 5.409 3.297 ( -8.770 0.000 0.113) 8.771 3.431 ( -3.732 0.000 6.383) 7.394 3.941 ( -2.328 0.000 -2.532) 3.440 3.962 ( -4.110 0.000 0.053) 4.110 4.350 ( 2.075 -0.000 0.111) 2.078 4.484 ( 2.894 -0.000 -5.684) 6.378 4.798 ( 2.499 -0.000 7.667) 8.064 4.914 ( 9.657 -0.000 4.012) 10.458 5.925 ( 1.079 -0.000 -9.887) 9.945 5.958 ( -1.397 0.000 -7.623) 7.750 6.302 ( 5.867 -0.000 -6.028) 8.412 6.766 ( -2.643 0.000 -1.316) 2.952 6.997 ( -4.290 0.000 -7.427) 8.577 7.077 ( -8.273 0.000 2.690) 8.700 7.730 ( 6.650 -0.000 1.925) 6.923 8.060 ( -7.662 0.000 10.215) 12.769 8.548 ( 7.825 -0.000 -0.413) 7.836 9.336 ( -5.180 0.000 -3.043) 6.008 9.505 ( 1.094 -0.000 -1.983) 2.264 10.131 ( 5.133 -0.000 2.566) 5.738 10.368 ( -4.487 0.000 0.406) 4.506 10.457 ( 5.904 -0.000 1.273) 6.040 11.103 ( 7.026 -0.000 -2.394) 7.423 11.908 ( 3.150 -0.000 0.614) 3.209 12.469 ( 0.687 -0.000 13.381) 13.399 12.677 ( -5.212 0.000 0.899) 5.289 12.686 ( -5.325 0.000 0.623) 5.362 13.592 ( -4.280 0.000 -7.735) 8.841 13.769 ( -4.137 0.000 -6.451) 7.664 13.976 ( 1.518 -0.000 14.101) 14.182 14.984 ( 3.500 -0.000 -9.555) 10.176 15.346 ( 2.175 -0.000 -0.754) 2.302 15.821 ( -1.556 0.000 0.784) 1.743 16.725 ( -0.037 0.000 -1.383) 1.383 16.762 ( 3.991 -0.000 -0.499) 4.022 ======================= Grid point 300 (142/300) ======================= q-point: (-0.55 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -3.878 11.187 4.389) 12.628 3.122 ( -5.858 12.096 1.806) 13.561 3.434 ( -4.495 -5.604 7.266) 10.217 3.893 ( -3.068 -0.263 -1.026) 3.246 3.944 ( 1.846 -5.260 -2.974) 6.318 4.389 ( 5.070 3.136 2.347) 6.407 4.556 ( 2.011 -7.122 -2.647) 7.860 4.866 ( 1.390 3.011 5.205) 6.172 5.182 ( 15.012 -8.423 3.536) 17.573 5.867 ( -0.513 5.307 -6.664) 8.534 5.908 ( 0.974 -0.354 -6.645) 6.725 6.275 ( -4.017 5.151 -2.922) 7.156 6.692 ( 0.321 2.418 -4.778) 5.365 6.894 ( -3.903 -2.967 -8.747) 10.027 6.996 ( -6.895 -3.282 6.939) 10.318 7.792 ( 4.958 3.041 -1.957) 6.137 8.041 ( -8.380 -9.269 9.607) 15.762 8.683 ( 10.000 2.271 -3.207) 10.744 9.252 ( -3.757 -1.998 -1.411) 4.483 9.513 ( 1.112 0.757 -0.599) 1.473 10.123 ( -6.974 3.686 9.693) 12.497 10.319 ( -4.741 -5.310 1.372) 7.249 10.641 ( 17.184 1.836 -7.705) 18.922 11.277 ( 13.909 -2.884 -2.916) 14.501 11.929 ( -0.381 3.901 3.312) 5.132 12.492 ( -11.622 -0.393 3.614) 12.177 12.562 ( -6.221 0.286 5.143) 8.077 12.633 ( -0.635 -3.152 4.755) 5.740 13.475 ( 4.157 15.736 -3.010) 16.552 13.681 ( -5.825 -2.555 -1.168) 6.467 14.130 ( 3.399 -9.107 9.461) 13.564 14.993 ( 5.692 2.154 -10.411) 12.059 15.385 ( 1.403 -2.200 -0.987) 2.790 15.785 ( -3.069 0.070 1.164) 3.283 16.674 ( -2.614 2.728 -3.083) 4.876 16.815 ( 1.213 -2.752 -2.687) 4.033 ======================= Grid point 301 (143/300) ======================= q-point: (-0.45 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -0.700 16.734 11.264) 20.184 2.925 ( -1.438 19.057 4.458) 19.624 3.450 ( -3.697 -2.682 6.426) 7.884 3.848 ( -1.684 -2.052 -3.024) 4.024 4.073 ( 5.329 -11.123 -3.119) 12.722 4.471 ( 5.573 6.726 5.063) 10.096 4.629 ( 0.088 -8.033 -1.623) 8.195 4.813 ( -2.957 10.258 4.439) 11.562 5.532 ( 12.289 -5.780 3.648) 14.062 5.775 ( 2.197 4.903 -5.408) 7.623 5.877 ( -4.745 -4.081 0.700) 6.297 6.147 ( -0.429 1.146 -7.253) 7.356 6.697 ( 2.436 -0.017 -0.533) 2.494 6.848 ( -0.348 -7.207 -11.893) 13.911 6.962 ( -6.384 -3.062 7.198) 10.097 7.852 ( 6.719 0.045 -4.770) 8.240 8.041 ( -8.336 -9.115 8.032) 14.734 8.768 ( 6.237 4.476 -4.167) 8.735 9.250 ( 0.344 -4.310 0.123) 4.325 9.514 ( 0.411 2.318 0.833) 2.498 9.994 ( -9.183 4.892 8.756) 13.599 10.321 ( -4.523 -8.244 2.297) 9.680 10.838 ( 16.355 5.652 -8.564) 19.307 11.544 ( 15.626 -2.721 -3.658) 16.277 11.857 ( -4.606 4.228 2.352) 6.680 12.254 ( -17.538 -3.976 -2.846) 18.207 12.479 ( -2.947 6.329 6.883) 9.804 12.735 ( 0.663 -4.411 7.612) 8.822 13.410 ( 5.387 13.782 1.059) 14.835 13.638 ( 1.392 3.478 4.436) 5.806 14.337 ( 3.922 -10.548 7.013) 13.260 15.005 ( 5.451 2.726 -10.343) 12.005 15.409 ( -0.409 -2.231 -1.674) 2.819 15.748 ( -3.291 -2.344 1.894) 4.462 16.570 ( -3.789 2.991 -3.942) 6.232 16.805 ( -2.706 -2.570 -6.510) 7.504 ======================= Grid point 302 (144/300) ======================= q-point: (-0.36 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 2.807 17.343 15.899) 23.694 2.784 ( 3.743 22.024 8.089) 23.759 3.427 ( -2.073 2.865 3.145) 4.733 3.852 ( -0.298 -4.796 -2.365) 5.355 4.250 ( 3.703 -7.338 -3.118) 8.791 4.369 ( -1.666 18.652 0.314) 18.728 4.692 ( 1.320 0.062 0.205) 1.338 4.775 ( 0.874 -4.191 8.992) 9.959 5.555 ( -1.711 10.640 3.817) 11.433 5.825 ( -3.733 -12.565 -3.886) 13.672 5.996 ( 7.170 -12.481 3.626) 14.843 6.151 ( 5.939 -0.103 -11.046) 12.542 6.753 ( 0.696 -4.910 2.127) 5.396 6.859 ( -0.511 -7.335 -9.721) 12.189 6.929 ( -2.878 -0.473 4.426) 5.301 7.949 ( 7.282 -2.301 -6.004) 9.715 8.049 ( -4.639 -7.340 6.510) 10.853 8.744 ( -0.238 5.937 -4.739) 7.600 9.329 ( 2.022 -5.242 0.725) 5.665 9.487 ( -1.003 3.434 2.429) 4.324 9.857 ( -6.905 4.299 6.819) 10.614 10.347 ( -3.026 -8.152 1.279) 8.789 10.971 ( 12.343 6.581 -6.727) 15.522 11.623 ( -3.110 6.577 -0.348) 7.283 11.867 ( 5.216 -0.377 -5.857) 7.852 12.027 ( -7.597 -4.076 0.238) 8.624 12.429 ( -3.942 1.941 6.519) 7.862 12.777 ( -2.542 -0.111 5.893) 6.419 13.408 ( 8.874 13.636 2.977) 16.539 13.722 ( 8.587 5.226 7.875) 12.770 14.514 ( 2.587 -7.147 5.525) 9.397 14.994 ( 2.431 1.269 -10.009) 10.378 15.397 ( -1.419 -1.598 -2.446) 3.248 15.751 ( -3.309 -6.403 3.163) 7.871 16.467 ( -2.567 1.983 -4.171) 5.284 16.699 ( -6.102 -0.475 -9.327) 11.155 ======================= Grid point 303 (145/300) ======================= q-point: (-0.27 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 6.182 15.098 18.803) 24.894 2.711 ( 6.908 23.333 9.786) 26.228 3.389 ( 1.393 4.175 -0.093) 4.402 3.872 ( -3.844 -5.142 -1.243) 6.539 4.061 ( 4.964 30.056 1.939) 30.525 4.456 ( 2.553 -15.269 -5.891) 16.564 4.711 ( 3.118 3.837 1.545) 5.180 4.906 ( -0.222 -8.835 8.162) 12.030 5.441 ( -3.529 8.067 3.473) 9.465 5.882 ( -6.387 -18.709 0.728) 19.783 6.163 ( 3.180 -2.113 -8.161) 9.009 6.221 ( 4.611 -7.604 -3.196) 9.449 6.796 ( -1.635 -7.341 -10.966) 13.297 6.853 ( -1.763 0.238 8.372) 8.559 6.950 ( 1.146 -3.305 0.239) 3.506 8.067 ( 7.059 -3.544 -4.803) 9.244 8.096 ( -0.691 -4.770 3.493) 5.953 8.601 ( -6.240 5.994 -4.552) 9.777 9.335 ( -3.863 2.022 2.279) 4.920 9.516 ( 3.005 -3.933 0.670) 4.994 9.770 ( -3.405 3.425 4.192) 6.395 10.388 ( -0.669 -5.568 0.080) 5.608 11.043 ( 5.790 4.247 -2.872) 7.733 11.504 ( -2.941 4.602 0.476) 5.482 11.745 ( -6.165 1.604 -4.198) 7.629 12.168 ( 12.313 2.090 0.801) 12.515 12.370 ( -5.885 -2.756 3.053) 7.180 12.748 ( -3.656 1.406 3.891) 5.522 13.457 ( 11.499 16.633 3.703) 20.557 13.859 ( 9.538 7.564 5.689) 13.437 14.605 ( 0.091 -2.065 2.734) 3.427 14.956 ( -1.236 -2.784 -7.635) 8.220 15.383 ( -0.168 -1.778 -2.651) 3.196 15.786 ( -4.846 -9.906 4.632) 11.961 16.407 ( -0.545 -0.117 -5.536) 5.564 16.539 ( -5.100 2.217 -7.564) 9.388 ======================= Grid point 304 (146/300) ======================= q-point: (-0.18 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 9.635 22.222 9.519) 26.024 2.759 ( 8.338 11.627 19.903) 24.512 3.418 ( 5.965 0.929 -1.310) 6.177 3.771 ( -5.666 2.027 -2.197) 6.406 4.034 ( 15.889 19.695 2.890) 25.470 4.576 ( -0.784 -13.936 -6.961) 15.598 4.731 ( 4.648 7.356 0.792) 8.737 5.014 ( -3.278 -12.161 5.572) 13.772 5.325 ( -5.920 5.346 4.264) 9.044 5.958 ( -8.413 -19.278 2.777) 21.216 6.149 ( 1.074 1.276 -8.171) 8.340 6.299 ( -2.350 -9.348 -4.362) 10.580 6.742 ( -3.527 -4.932 -10.661) 12.265 6.869 ( 2.237 3.251 0.597) 3.992 7.031 ( 1.611 -4.031 7.364) 8.548 8.037 ( -6.409 3.421 -7.848) 10.694 8.208 ( 2.797 -3.088 2.732) 4.983 8.459 ( -1.991 -0.398 -0.535) 2.100 9.281 ( -0.511 1.628 1.559) 2.311 9.581 ( -0.436 -2.802 -0.676) 2.916 9.727 ( 0.124 2.027 0.619) 2.123 10.420 ( 0.229 -1.642 -0.401) 1.706 11.034 ( -2.663 3.200 2.733) 4.980 11.480 ( 1.034 -3.091 0.593) 3.313 11.676 ( 3.498 4.689 -1.477) 6.034 12.222 ( -1.750 3.839 2.292) 4.801 12.454 ( 12.011 -1.541 -1.202) 12.169 12.642 ( -10.076 2.018 1.275) 10.355 13.488 ( 10.562 18.734 1.374) 21.550 13.934 ( 7.597 10.507 2.005) 13.120 14.591 ( -3.053 -0.006 -0.819) 3.161 14.933 ( -2.732 -5.474 -2.769) 6.716 15.392 ( 0.951 -1.125 -2.124) 2.585 15.827 ( -6.443 -11.793 5.709) 14.601 16.365 ( -1.562 -3.509 -9.806) 10.531 16.464 ( 2.933 3.894 -0.875) 4.953 ======================= Grid point 305 (147/300) ======================= q-point: (-0.09 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 12.936 16.885 7.150) 22.440 2.913 ( 6.884 6.892 20.006) 22.251 3.548 ( 8.865 -3.393 -1.223) 9.571 3.667 ( -4.184 0.189 -3.150) 5.241 4.193 ( 22.106 15.540 1.164) 27.046 4.597 ( -6.001 -9.139 -5.548) 12.261 4.734 ( 6.395 10.113 -1.507) 12.060 5.065 ( -11.489 -13.052 0.253) 17.390 5.219 ( -2.274 1.997 6.357) 7.040 5.975 ( -9.780 -11.685 2.094) 15.381 6.097 ( -2.663 -2.729 -6.455) 7.497 6.296 ( -4.557 -8.234 -3.149) 9.924 6.664 ( -3.885 -5.098 -11.716) 13.355 6.890 ( 3.830 2.219 -0.898) 4.516 7.132 ( 2.060 0.301 8.605) 8.854 7.765 ( -11.402 6.322 -9.566) 16.171 8.223 ( -3.660 -2.103 0.007) 4.221 8.535 ( 3.852 -3.018 5.918) 7.679 9.316 ( 4.844 0.002 -0.553) 4.875 9.548 ( -2.677 1.434 -0.639) 3.104 9.741 ( 3.144 0.582 -2.940) 4.344 10.423 ( 0.164 0.375 -0.355) 0.542 10.936 ( -7.557 4.659 7.194) 11.426 11.586 ( 3.821 -7.788 -0.270) 8.679 11.743 ( 9.339 2.993 0.201) 9.809 12.169 ( 1.242 7.414 -0.224) 7.521 12.389 ( -16.973 2.170 -0.387) 17.115 12.683 ( 12.426 -2.748 0.153) 12.727 13.461 ( 8.335 17.869 -3.028) 19.948 13.947 ( 5.374 10.376 1.231) 11.750 14.515 ( -5.503 -0.927 -2.119) 5.970 14.941 ( -2.259 -5.835 1.467) 6.427 15.401 ( 1.160 1.024 -1.540) 2.184 15.853 ( -7.258 -10.006 5.518) 13.536 16.345 ( 0.946 -4.632 -8.057) 9.342 16.510 ( 6.074 2.284 -1.439) 6.647 ======================= Grid point 311 (148/300) ======================= q-point: (-0.55 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 0.812 -0.000 6.149) 6.202 3.129 ( -2.217 0.000 3.343) 4.011 3.389 ( -3.020 0.000 8.773) 9.279 3.856 ( -0.849 0.000 -2.151) 2.312 3.926 ( 1.740 -0.000 -2.209) 2.812 4.517 ( 5.472 -0.000 7.238) 9.074 4.544 ( 1.181 -0.000 -1.384) 1.820 4.925 ( 0.234 -0.000 2.163) 2.176 5.438 ( 18.861 -0.000 1.388) 18.912 5.835 ( -7.152 0.000 -2.180) 7.477 5.881 ( 1.869 -0.000 -4.152) 4.553 6.173 ( -6.565 0.000 -3.715) 7.543 6.706 ( 2.816 -0.000 -2.697) 3.899 6.753 ( -3.053 0.000 -12.433) 12.802 6.932 ( -4.610 0.000 8.231) 9.434 7.864 ( 5.194 -0.000 -5.495) 7.561 7.934 ( -6.280 0.000 10.214) 11.990 8.812 ( 6.345 -0.000 -4.632) 7.855 9.205 ( -0.069 0.000 0.176) 0.189 9.537 ( 1.046 -0.000 0.740) 1.282 10.072 ( -9.594 0.000 11.889) 15.277 10.210 ( -4.240 0.000 -0.143) 4.243 10.900 ( 17.585 -0.000 -9.195) 19.844 11.507 ( 17.639 -0.000 -3.552) 17.993 11.900 ( -6.890 0.000 2.393) 7.294 12.213 ( -18.479 0.000 -2.797) 18.689 12.605 ( -1.267 0.000 12.333) 12.398 12.623 ( -0.017 0.000 5.072) 5.072 13.554 ( -2.599 0.000 0.575) 2.662 13.701 ( 9.275 -0.000 2.401) 9.581 14.200 ( 4.108 -0.000 9.638) 10.477 15.039 ( 5.894 -0.000 -11.786) 13.177 15.381 ( -0.249 0.000 -1.176) 1.202 15.728 ( -4.480 0.000 1.410) 4.696 16.600 ( -4.348 0.000 -6.107) 7.497 16.777 ( -2.017 0.000 -3.843) 4.340 ======================= Grid point 313 (149/300) ======================= q-point: (-0.45 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 4.158 10.910 8.638) 14.523 3.105 ( 2.878 10.277 5.379) 11.951 3.421 ( -1.673 -3.231 7.906) 8.703 3.807 ( -1.248 1.471 -3.294) 3.818 4.010 ( 2.757 -10.770 -2.548) 11.405 4.546 ( -2.139 -0.668 0.199) 2.250 4.647 ( 4.415 -0.347 7.958) 9.107 4.886 ( -1.545 6.987 1.603) 7.333 5.588 ( -12.921 -3.696 -0.682) 13.456 5.817 ( 12.404 -2.463 5.289) 13.707 5.864 ( 3.946 7.837 -3.467) 9.434 6.125 ( 3.636 -2.636 -8.343) 9.475 6.665 ( -1.569 -4.726 -12.130) 13.113 6.757 ( 2.104 -1.983 1.648) 3.328 6.921 ( -1.990 -0.288 5.249) 5.621 7.925 ( 5.556 -0.988 -4.261) 7.071 7.929 ( -2.822 -3.552 7.064) 8.395 8.822 ( -0.601 2.180 -5.585) 6.025 9.248 ( 2.937 -2.522 0.779) 3.949 9.544 ( -0.374 1.842 1.755) 2.572 9.950 ( -8.549 4.611 9.020) 13.256 10.198 ( -1.912 -6.365 0.853) 6.700 11.081 ( 12.338 3.910 -7.893) 15.159 11.739 ( 1.079 5.260 -1.449) 5.562 11.825 ( 8.615 -4.105 -3.160) 10.052 11.908 ( -16.860 -4.271 -1.885) 17.494 12.553 ( -3.926 8.502 8.753) 12.818 12.710 ( -2.663 -6.413 9.351) 11.648 13.594 ( 8.736 4.693 3.519) 10.522 13.845 ( 9.255 6.650 7.315) 13.542 14.361 ( 4.136 -6.992 8.456) 11.726 15.037 ( 3.277 2.149 -13.235) 13.803 15.355 ( -2.665 -2.042 -2.869) 4.416 15.670 ( -4.717 -2.076 2.291) 5.640 16.488 ( -3.860 0.411 -6.811) 7.840 16.699 ( -4.165 0.152 -5.798) 7.140 ======================= Grid point 314 (150/300) ======================= q-point: (-0.36 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 6.358 14.710 11.721) 19.854 3.097 ( 7.305 16.212 6.228) 18.841 3.451 ( -0.489 1.144 4.113) 4.297 3.774 ( -2.537 -3.821 -2.360) 5.158 4.157 ( 2.698 -13.693 -3.756) 14.453 4.444 ( -5.185 7.822 -1.399) 9.488 4.740 ( 1.163 -2.423 4.369) 5.130 4.830 ( -0.242 4.494 6.831) 8.180 5.432 ( -14.551 -12.276 3.911) 19.435 5.791 ( 2.830 11.558 -2.048) 12.075 6.062 ( 9.383 -2.596 -4.142) 10.580 6.200 ( 7.444 -1.066 -7.575) 10.674 6.643 ( -0.764 -8.230 -12.029) 14.595 6.834 ( 1.679 -1.490 9.682) 9.939 6.927 ( 0.228 -0.106 0.698) 0.742 7.988 ( -0.117 -5.256 7.982) 9.558 8.015 ( 6.769 -2.138 -5.830) 9.185 8.690 ( -7.973 3.280 -5.967) 10.485 9.328 ( 2.304 -2.210 0.239) 3.201 9.510 ( -1.469 2.453 1.835) 3.397 9.837 ( -5.341 3.539 5.840) 8.670 10.262 ( 1.227 -6.818 0.920) 6.988 11.136 ( 4.168 5.184 -4.450) 8.003 11.580 ( -10.168 2.023 -2.135) 10.585 11.713 ( -5.535 -2.795 -1.900) 6.485 12.116 ( 15.250 -4.778 -1.972) 16.103 12.438 ( -5.743 8.002 8.408) 12.951 12.754 ( -2.664 -2.128 7.598) 8.328 13.727 ( 11.629 11.122 5.046) 16.863 13.989 ( 10.070 6.076 9.157) 14.906 14.527 ( 2.596 -5.678 6.639) 9.114 14.949 ( -1.866 1.850 -13.485) 13.739 15.315 ( -2.776 -5.161 -5.724) 8.192 15.641 ( -4.977 -4.726 3.629) 7.764 16.403 ( -1.895 -0.170 -6.591) 6.860 16.588 ( -3.184 2.161 -5.609) 6.802 ======================= Grid point 315 (151/300) ======================= q-point: (-0.27 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 7.044 13.814 14.047) 20.923 3.100 ( 9.369 19.939 5.968) 22.824 3.450 ( 1.689 2.121 0.954) 2.874 3.734 ( -5.571 -3.601 -2.408) 7.057 4.305 ( 3.993 -9.133 -4.299) 10.855 4.316 ( -0.046 2.426 -2.207) 3.281 4.797 ( -5.322 -9.424 4.327) 11.656 4.836 ( 2.187 4.272 5.679) 7.435 5.365 ( -10.206 -9.555 3.992) 14.540 5.726 ( -0.296 3.127 -2.673) 4.124 6.131 ( 2.369 0.112 -6.930) 7.325 6.265 ( 5.742 1.852 -7.421) 9.565 6.635 ( -1.448 -6.280 -10.463) 12.289 6.923 ( 1.427 2.023 0.334) 2.498 6.967 ( 3.581 -2.568 11.133) 11.973 8.056 ( -0.599 -1.054 -2.907) 3.150 8.129 ( 3.658 -4.549 3.103) 6.610 8.472 ( -9.307 1.374 -3.681) 10.102 9.331 ( -0.334 3.108 0.650) 3.193 9.517 ( 1.001 -2.898 -1.070) 3.248 9.774 ( -1.970 2.287 2.697) 4.048 10.359 ( 2.703 -4.498 0.716) 5.296 11.092 ( -2.608 3.014 0.641) 4.037 11.412 ( -9.273 -4.530 -1.910) 10.496 11.717 ( 4.511 0.743 -0.257) 4.579 12.330 ( -3.401 7.638 7.147) 11.000 12.376 ( 12.272 -3.907 -0.583) 12.892 12.732 ( -4.015 3.619 4.205) 6.849 13.798 ( 8.117 13.866 4.603) 16.714 14.123 ( 8.420 8.538 5.616) 13.241 14.584 ( -2.776 -0.189 0.139) 2.786 14.844 ( -2.725 -3.609 -7.075) 8.397 15.312 ( -0.629 -8.180 -6.886) 10.711 15.634 ( -5.189 -6.532 4.765) 9.607 16.344 ( -0.643 0.424 -6.732) 6.776 16.525 ( 1.617 2.461 -2.597) 3.926 ======================= Grid point 316 (152/300) ======================= q-point: (-0.18 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 8.505 15.445 7.853) 19.302 3.083 ( 3.335 13.189 11.208) 17.626 3.504 ( 4.590 -1.171 1.689) 5.029 3.659 ( -2.499 -0.976 -4.771) 5.474 4.345 ( 3.690 -2.237 -2.390) 4.932 4.426 ( 3.998 -7.133 -4.179) 9.184 4.786 ( -7.267 -10.073 2.164) 12.608 4.894 ( 3.307 2.071 4.496) 5.954 5.295 ( -5.716 0.618 1.621) 5.974 5.697 ( -5.779 -10.098 -2.021) 11.809 6.081 ( -1.575 1.887 -8.086) 8.451 6.278 ( 3.450 3.220 -4.834) 6.755 6.586 ( -2.927 -3.212 -10.098) 10.994 6.930 ( 2.794 1.421 -2.028) 3.734 7.126 ( 4.458 -0.622 12.730) 13.503 7.877 ( -12.638 5.251 -8.850) 16.298 8.177 ( -3.320 -2.543 1.952) 4.616 8.461 ( 3.680 -4.659 4.546) 7.478 9.332 ( 4.075 1.735 -0.796) 4.500 9.535 ( -1.298 -2.222 -1.749) 3.111 9.765 ( 2.384 1.429 -0.738) 2.875 10.423 ( 1.663 -0.618 0.335) 1.806 11.008 ( -6.682 2.751 5.349) 8.991 11.379 ( -2.690 -12.120 -1.145) 12.468 11.811 ( 7.648 2.869 1.243) 8.262 12.264 ( -0.665 6.579 4.911) 8.237 12.520 ( -4.646 4.538 -0.438) 6.509 12.650 ( 5.711 1.812 2.359) 6.439 13.772 ( 3.751 14.466 -1.656) 15.036 14.162 ( 5.562 11.396 2.859) 13.000 14.477 ( -8.350 -2.549 -3.292) 9.330 14.840 ( -1.152 -4.564 -0.759) 4.768 15.369 ( 2.590 -6.320 -4.921) 8.418 15.650 ( -4.920 -8.357 5.048) 10.933 16.308 ( 1.295 0.390 -5.590) 5.752 16.555 ( 5.170 1.848 -1.260) 5.633 ======================= Grid point 317 (153/300) ======================= q-point: (-0.09 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -2.923 7.978 5.090) 9.904 3.154 ( 5.599 6.395 9.639) 12.851 3.592 ( 0.036 -0.789 2.473) 2.596 3.658 ( 6.457 -1.672 -4.937) 8.298 4.357 ( -3.766 -4.611 -3.578) 6.946 4.569 ( 7.832 -3.746 -2.162) 8.947 4.779 ( -4.808 -5.962 -2.677) 8.114 4.941 ( 4.052 5.095 5.418) 8.470 5.211 ( -2.109 1.555 -0.829) 2.748 5.700 ( -7.069 -14.660 -2.048) 16.404 5.972 ( -3.611 1.511 -7.553) 8.507 6.269 ( 1.239 1.772 -4.275) 4.791 6.498 ( -4.093 -1.780 -6.815) 8.147 6.963 ( 4.371 0.924 -3.578) 5.724 7.231 ( 0.227 2.839 10.763) 11.133 7.591 ( -7.661 3.483 -8.401) 11.891 8.126 ( -5.240 -0.935 1.035) 5.423 8.608 ( 3.743 -3.608 7.981) 9.525 9.412 ( 6.902 -0.311 -2.904) 7.495 9.507 ( -1.770 -0.039 -1.212) 2.145 9.804 ( 4.939 1.332 -3.364) 6.122 10.434 ( 0.394 1.722 0.292) 1.790 10.892 ( -8.200 3.421 8.536) 12.321 11.524 ( 3.751 -16.169 -1.116) 16.636 11.884 ( 3.496 3.442 0.047) 4.906 12.185 ( -11.346 10.030 1.193) 15.191 12.303 ( 2.376 9.870 0.264) 10.155 12.830 ( 7.374 -4.591 4.580) 9.820 13.637 ( -0.255 11.694 -8.826) 14.653 14.140 ( 2.564 11.237 3.631) 12.084 14.358 ( -8.144 -3.774 -1.338) 9.075 14.874 ( -0.622 -5.423 0.545) 5.485 15.435 ( 4.140 -0.123 -2.762) 4.979 15.680 ( -4.991 -8.872 4.078) 10.966 16.321 ( 3.275 -1.358 -4.665) 5.859 16.626 ( 6.194 2.049 -1.364) 6.665 ======================= Grid point 324 (154/300) ======================= q-point: ( 0.55 -0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 7.950 -0.000 5.766) 9.821 3.270 ( 7.201 -0.000 5.546) 9.089 3.423 ( -1.440 0.000 8.221) 8.346 3.759 ( -3.734 0.000 -3.255) 4.953 3.991 ( 3.740 -0.000 -2.296) 4.389 4.489 ( -4.609 0.000 -1.290) 4.786 4.718 ( -2.314 0.000 8.243) 8.561 4.903 ( -1.043 0.000 1.918) 2.183 5.278 ( -18.210 0.000 3.990) 18.642 6.000 ( 6.075 -0.000 0.513) 6.096 6.007 ( 7.764 -0.000 -13.852) 15.879 6.179 ( 11.210 -0.000 2.441) 11.473 6.540 ( 0.331 -0.000 -17.226) 17.229 6.818 ( 2.360 -0.000 9.342) 9.636 6.927 ( -0.148 0.000 2.664) 2.668 7.931 ( -0.529 0.000 9.881) 9.895 7.996 ( 6.890 -0.000 -6.128) 9.221 8.722 ( -8.499 0.000 -6.492) 10.694 9.301 ( 4.401 -0.000 -0.013) 4.401 9.542 ( -2.405 0.000 1.635) 2.908 9.881 ( -7.771 0.000 7.227) 10.612 10.182 ( 3.130 -0.000 0.500) 3.170 11.199 ( 3.832 -0.000 -5.527) 6.725 11.571 ( -16.818 0.000 -3.872) 17.258 11.700 ( -2.247 0.000 0.719) 2.359 12.066 ( 17.217 -0.000 -2.640) 17.418 12.551 ( -6.899 0.000 8.149) 10.677 12.702 ( -1.062 0.000 10.948) 11.000 13.838 ( 13.119 -0.000 5.276) 14.140 14.064 ( 7.701 -0.000 8.722) 11.635 14.451 ( 4.845 -0.000 9.605) 10.758 14.984 ( -1.156 0.000 -17.239) 17.277 15.245 ( -5.900 0.000 -5.934) 8.368 15.601 ( -4.130 0.000 3.500) 5.413 16.401 ( -1.917 0.000 -6.230) 6.519 16.609 ( -2.867 0.000 -5.411) 6.124 ======================= Grid point 326 (155/300) ======================= q-point: (-0.36 0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 7.936 10.583 7.435) 15.174 3.391 ( 9.970 9.020 3.437) 13.877 3.461 ( -1.183 -2.112 5.226) 5.760 3.679 ( -3.890 -1.108 -2.667) 4.845 4.082 ( 3.531 -8.001 -2.926) 9.222 4.368 ( -6.890 0.857 -2.602) 7.415 4.664 ( -9.620 -4.389 4.805) 11.614 4.901 ( 0.578 2.658 4.783) 5.502 5.121 ( -10.515 -9.916 5.341) 15.408 5.909 ( 0.190 9.703 -11.230) 14.843 6.130 ( 5.405 -2.643 -3.543) 6.982 6.340 ( 9.170 6.792 -5.418) 12.632 6.508 ( 2.572 -7.093 -12.471) 14.576 6.919 ( 1.303 -1.063 3.517) 3.899 6.961 ( 3.617 0.686 9.947) 10.606 8.013 ( 2.156 -2.238 8.234) 8.801 8.072 ( 4.222 -1.214 -3.688) 5.736 8.495 ( -12.820 0.720 -5.555) 13.990 9.371 ( 3.914 0.763 -1.291) 4.192 9.492 ( -3.052 0.070 0.141) 3.056 9.807 ( -3.888 1.052 3.711) 5.476 10.277 ( 5.221 -3.015 1.232) 6.154 11.149 ( -4.703 2.582 -0.773) 5.421 11.323 ( -13.098 -3.831 -3.146) 14.005 11.731 ( 5.457 0.598 0.802) 5.548 12.319 ( 13.400 -1.550 -0.789) 13.513 12.479 ( -3.672 5.773 8.728) 11.090 12.747 ( -1.948 -1.175 8.533) 8.832 14.001 ( 6.220 6.733 4.881) 10.385 14.221 ( 6.546 1.579 9.158) 11.367 14.597 ( 4.776 1.130 6.034) 7.778 14.811 ( -5.515 0.123 -15.812) 16.747 15.134 ( -5.329 -7.562 -9.912) 13.558 15.575 ( -2.340 -0.940 4.200) 4.899 16.357 ( 0.095 0.536 -4.282) 4.317 16.556 ( 0.637 0.796 -4.224) 4.345 ======================= Grid point 327 (156/300) ======================= q-point: (-0.27 0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( 2.520 10.358 8.953) 13.921 3.397 ( 0.320 13.829 1.619) 13.927 3.503 ( 3.265 1.574 5.292) 6.415 3.633 ( 0.791 -1.535 -5.766) 6.019 4.192 ( 1.450 -9.134 -3.892) 10.034 4.314 ( 0.371 -5.843 -1.808) 6.128 4.594 ( -8.240 -9.172 2.816) 12.648 4.925 ( 0.354 0.904 6.161) 6.237 5.134 ( -4.658 -11.990 3.686) 13.381 5.723 ( -4.973 7.141 -11.680) 14.566 6.151 ( 1.592 3.142 -9.323) 9.966 6.359 ( 6.183 5.194 -5.573) 9.812 6.542 ( 1.358 -1.555 -7.280) 7.567 6.936 ( 1.111 -0.603 -1.696) 2.115 7.119 ( 5.538 -0.029 14.230) 15.269 7.957 ( -12.041 3.164 -7.548) 14.559 8.134 ( 0.522 -1.880 5.827) 6.145 8.375 ( 0.826 -3.848 2.342) 4.580 9.378 ( 1.674 2.891 -1.399) 3.622 9.483 ( 0.121 -2.892 -2.590) 3.884 9.786 ( 0.859 0.697 0.652) 1.284 10.395 ( 4.664 -2.117 1.257) 5.274 11.042 ( -7.139 1.079 3.944) 8.227 11.186 ( -7.017 -7.274 -2.258) 10.356 11.851 ( 8.556 1.458 1.679) 8.841 12.417 ( -0.967 8.095 7.290) 10.936 12.515 ( 7.031 -1.834 1.589) 7.438 12.732 ( -3.528 3.336 5.564) 7.384 13.991 ( -0.470 8.170 1.537) 8.327 14.329 ( 4.444 4.573 6.980) 9.454 14.462 ( -10.738 2.244 -11.882) 16.171 14.787 ( 1.996 0.011 -1.048) 2.255 15.152 ( 1.530 -14.049 -6.238) 15.448 15.582 ( -0.872 -0.684 3.836) 3.993 16.336 ( 1.122 1.897 -2.845) 3.599 16.574 ( 4.450 0.316 -2.675) 5.202 ======================= Grid point 328 (157/300) ======================= q-point: (-0.18 -0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( -14.081 6.186 5.857) 16.457 3.312 ( 1.796 9.465 2.320) 9.910 3.563 ( 0.529 -1.616 4.593) 4.897 3.667 ( 6.492 1.788 -5.972) 9.001 4.256 ( 0.932 -5.673 -3.512) 6.737 4.430 ( 4.455 -8.490 -0.124) 9.589 4.626 ( 0.035 -9.442 0.017) 9.442 4.956 ( -1.846 -2.170 5.998) 6.640 5.216 ( 1.581 -5.551 1.003) 5.858 5.503 ( -9.172 -1.663 -9.945) 13.630 6.054 ( -0.166 4.295 -13.323) 13.999 6.352 ( 0.983 6.949 -3.756) 7.960 6.503 ( -0.555 1.811 -3.505) 3.984 6.960 ( 2.314 -1.338 -3.364) 4.297 7.270 ( 2.944 1.228 13.206) 13.586 7.655 ( -11.196 3.112 -8.003) 14.110 8.141 ( -1.643 2.761 2.552) 4.103 8.515 ( 4.580 -5.935 6.933) 10.211 9.395 ( 2.676 -1.116 -3.265) 4.366 9.492 ( 0.275 -1.574 -1.847) 2.442 9.822 ( 4.553 0.761 -2.033) 5.044 10.471 ( 3.181 1.342 0.847) 3.555 10.928 ( -9.239 0.718 7.342) 11.823 11.236 ( 2.422 -12.474 -1.606) 12.808 11.956 ( 4.149 3.522 1.823) 5.739 12.375 ( 0.799 9.435 5.322) 10.862 12.497 ( -4.824 8.776 -0.952) 10.060 12.747 ( 2.902 -3.176 7.018) 8.232 13.844 ( -4.942 9.395 -8.466) 13.578 14.223 ( -13.491 -4.271 -2.859) 14.437 14.373 ( 3.915 6.995 5.169) 9.538 14.795 ( 1.100 -2.066 -4.868) 5.401 15.324 ( 5.366 -10.846 -0.949) 12.138 15.595 ( -0.524 -0.189 2.906) 2.959 16.329 ( 2.021 1.775 -1.914) 3.301 16.649 ( 6.246 0.357 -2.377) 6.693 ======================= Grid point 329 (158/300) ======================= q-point: (-0.09 -0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -18.169 -0.456 4.930) 18.831 3.222 ( -9.337 -0.570 0.294) 9.359 3.599 ( 0.323 -0.889 3.738) 3.856 3.739 ( 8.154 2.362 -5.281) 9.998 4.313 ( 4.283 -1.391 -3.660) 5.804 4.540 ( -0.966 -2.578 1.831) 3.306 4.738 ( 3.890 -6.466 -1.229) 7.645 4.973 ( -2.911 -5.173 3.172) 6.730 5.177 ( -6.538 0.588 -5.170) 8.356 5.502 ( 4.341 -12.059 -1.063) 12.861 5.937 ( 0.330 4.501 -11.926) 12.752 6.198 ( -7.154 4.987 -7.035) 11.205 6.481 ( 1.145 3.413 1.109) 3.767 6.998 ( 3.820 -2.051 -5.401) 6.926 7.302 ( -1.725 5.063 7.439) 9.162 7.533 ( 1.957 1.301 -4.122) 4.745 8.083 ( -2.253 3.797 2.245) 4.953 8.675 ( 3.130 -4.255 8.353) 9.883 9.426 ( 0.524 -3.728 -3.569) 5.188 9.511 ( 1.514 -0.970 -1.880) 2.602 9.890 ( 7.189 1.452 -4.194) 8.448 10.477 ( 0.278 4.663 1.084) 4.796 10.823 ( -8.667 0.548 9.526) 12.890 11.454 ( 8.671 -15.425 -1.917) 17.798 11.911 ( -4.318 4.512 -1.094) 6.340 12.152 ( -9.209 18.723 -1.810) 20.943 12.484 ( 7.824 5.658 3.958) 10.435 12.878 ( 0.509 -6.895 8.596) 11.032 13.598 ( -6.325 6.674 -13.104) 16.009 14.050 ( -14.354 -5.657 2.590) 15.644 14.394 ( 4.240 8.390 4.539) 10.439 14.820 ( 1.662 -4.044 -5.240) 6.825 15.492 ( 5.696 -5.636 0.427) 8.024 15.596 ( -1.230 -0.070 1.912) 2.275 16.352 ( 2.950 -0.243 -1.508) 3.321 16.731 ( 6.149 1.144 -2.827) 6.863 ======================= Grid point 337 (159/300) ======================= q-point: ( 0.64 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( -7.153 0.000 5.911) 9.280 3.466 ( 6.621 -0.000 3.934) 7.701 3.589 ( 5.004 -0.000 0.579) 5.038 3.618 ( -0.111 0.000 -3.174) 3.176 4.088 ( 3.318 -0.000 -2.234) 4.000 4.251 ( -2.895 0.000 -2.397) 3.758 4.485 ( -8.757 0.000 2.964) 9.245 4.970 ( -6.709 0.000 5.488) 8.668 4.971 ( 2.885 -0.000 4.955) 5.734 5.808 ( -6.766 0.000 -16.846) 18.154 6.171 ( 1.590 -0.000 -5.897) 6.108 6.431 ( 5.957 -0.000 -10.035) 11.670 6.521 ( 5.805 -0.000 -4.003) 7.052 6.925 ( 0.239 -0.000 -0.770) 0.806 7.121 ( 5.650 -0.000 13.916) 15.019 7.990 ( -12.223 0.000 -7.053) 14.112 8.113 ( 4.591 -0.000 8.982) 10.087 8.336 ( -1.772 0.000 0.595) 1.869 9.426 ( -3.193 0.000 -1.690) 3.613 9.436 ( 3.907 -0.000 -3.047) 4.955 9.792 ( 0.280 -0.000 1.153) 1.187 10.369 ( 6.005 -0.000 1.650) 6.227 11.053 ( -8.352 0.000 3.450) 9.036 11.116 ( -7.031 0.000 -2.659) 7.517 11.865 ( 8.947 -0.000 1.645) 9.097 12.494 ( 7.985 -0.000 1.988) 8.229 12.509 ( -2.020 0.000 8.099) 8.347 12.755 ( -2.613 0.000 7.891) 8.312 14.068 ( -3.993 0.000 3.181) 5.106 14.359 ( 3.747 -0.000 9.766) 10.460 14.501 ( -12.096 0.000 -20.402) 23.718 14.852 ( 10.530 -0.000 9.314) 14.058 14.943 ( -3.393 0.000 -13.821) 14.231 15.579 ( 0.241 -0.000 3.187) 3.196 16.357 ( 1.142 -0.000 -1.498) 1.884 16.575 ( 4.114 -0.000 -3.689) 5.526 ======================= Grid point 339 (160/300) ======================= q-point: (-0.27 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( -17.146 2.911 4.801) 18.041 3.460 ( -9.244 4.638 -0.735) 10.368 3.540 ( -1.681 -0.667 4.363) 4.723 3.709 ( 10.635 2.073 -6.023) 12.397 4.160 ( 4.887 -3.531 -2.236) 6.431 4.318 ( 8.279 -2.567 -0.417) 8.678 4.457 ( -0.561 -6.668 2.010) 6.987 4.908 ( -5.016 -1.819 4.554) 7.015 5.096 ( 6.391 -3.989 4.629) 8.842 5.541 ( -12.363 2.168 -16.236) 20.522 6.098 ( -1.603 0.799 -14.357) 14.468 6.488 ( 3.154 5.727 -3.143) 7.254 6.535 ( 2.029 0.491 -2.697) 3.410 6.925 ( 0.167 -1.602 -2.941) 3.354 7.282 ( 4.219 0.231 13.602) 14.243 7.699 ( -13.141 1.292 -7.569) 15.220 8.220 ( 3.661 4.513 6.300) 8.571 8.401 ( 3.438 -5.310 4.980) 8.051 9.380 ( -0.633 -0.370 -3.154) 3.238 9.459 ( 0.295 -1.369 -3.447) 3.721 9.834 ( 4.881 0.435 -0.934) 4.988 10.474 ( 4.954 -0.519 1.634) 5.242 10.940 ( -8.621 0.792 6.484) 10.816 11.076 ( 1.760 -4.447 -2.198) 5.264 12.006 ( 6.257 1.477 1.903) 6.705 12.512 ( 0.523 4.230 6.722) 7.959 12.582 ( 0.492 0.718 2.156) 2.325 12.739 ( -3.272 1.491 8.078) 8.842 13.957 ( -8.496 2.111 -0.762) 8.788 14.160 ( -15.770 -0.950 -14.972) 21.766 14.455 ( 2.293 1.276 8.391) 8.792 14.820 ( 2.361 3.761 -12.731) 13.484 15.121 ( 8.257 -8.384 6.158) 13.282 15.606 ( 1.553 0.570 1.473) 2.215 16.365 ( 1.021 1.394 -0.011) 1.728 16.645 ( 6.474 -0.387 -3.793) 7.513 ======================= Grid point 340 (161/300) ======================= q-point: (-0.18 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -23.848 1.680 4.539) 24.334 3.199 ( -19.508 -1.731 0.307) 19.587 3.580 ( 2.492 -0.799 2.582) 3.676 3.817 ( 11.050 4.988 -6.474) 13.744 4.275 ( 6.873 -2.622 -3.880) 8.317 4.484 ( 6.741 -2.638 2.714) 7.731 4.568 ( 1.605 -8.919 1.471) 9.181 4.873 ( -6.048 -4.643 3.319) 8.316 5.197 ( -13.717 1.133 -12.578) 18.645 5.330 ( 11.690 -5.635 2.276) 13.175 5.975 ( -1.718 0.558 -15.310) 15.417 6.343 ( -6.600 7.061 -4.299) 10.578 6.576 ( 3.892 6.172 1.925) 7.546 6.938 ( 1.593 -4.083 -5.341) 6.909 7.377 ( -0.562 2.540 9.766) 10.106 7.546 ( 1.023 0.267 -4.596) 4.716 8.210 ( 0.887 9.139 2.916) 9.634 8.565 ( 3.951 -7.234 6.828) 10.703 9.367 ( -0.275 -2.004 -3.328) 3.895 9.455 ( -1.441 -4.284 -2.952) 5.398 9.921 ( 7.878 1.646 -2.688) 8.486 10.542 ( 2.140 1.304 1.398) 2.870 10.832 ( -8.242 1.454 8.627) 12.019 11.224 ( 9.415 -8.736 -2.386) 13.064 12.008 ( -3.566 4.888 0.210) 6.054 12.467 ( -5.079 12.709 -0.226) 13.688 12.569 ( 5.926 3.198 3.529) 7.602 12.757 ( -2.996 -4.552 10.315) 11.666 13.721 ( -9.988 5.299 -15.353) 19.067 13.910 ( -15.926 -7.665 4.791) 18.312 14.511 ( 1.896 3.049 6.924) 7.799 14.790 ( 5.352 1.252 -12.328) 13.498 15.344 ( 5.431 -7.492 6.012) 11.035 15.631 ( 2.536 1.866 -0.567) 3.199 16.367 ( 0.808 1.363 0.428) 1.641 16.736 ( 6.825 -0.336 -4.855) 8.383 ======================= Grid point 341 (162/300) ======================= q-point: (-0.09 -0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -25.461 -3.947 6.421) 26.553 2.877 ( -24.470 -6.739 0.601) 25.388 3.657 ( 4.435 -0.075 2.368) 5.029 3.900 ( 9.404 5.984 -6.344) 12.826 4.346 ( 1.240 1.284 -6.010) 6.269 4.529 ( -3.151 0.564 1.133) 3.395 4.603 ( -16.632 -14.900 2.753) 22.499 4.879 ( -1.608 -10.198 0.002) 10.324 4.988 ( 1.527 1.130 -4.604) 4.981 5.641 ( 16.932 -2.972 2.880) 17.431 5.871 ( -0.907 -0.899 -13.991) 14.050 6.170 ( -0.738 9.691 -2.639) 10.071 6.563 ( 2.516 6.994 -0.372) 7.442 7.008 ( 5.029 -4.818 -4.150) 8.107 7.361 ( -0.413 4.077 2.714) 4.915 7.596 ( 5.219 1.881 -1.652) 5.789 8.146 ( 0.829 8.176 2.158) 8.496 8.715 ( 1.512 -5.452 7.315) 9.248 9.376 ( -0.039 -3.935 -2.173) 4.495 9.454 ( -2.310 -5.163 -3.084) 6.442 10.023 ( 9.134 2.415 -4.466) 10.451 10.525 ( -1.365 4.737 1.409) 5.127 10.740 ( -8.396 0.952 9.977) 13.074 11.492 ( 12.182 -12.238 -3.500) 17.618 11.840 ( -8.099 5.659 -2.265) 10.137 12.210 ( -4.710 20.074 -2.236) 20.740 12.647 ( 2.016 1.677 3.266) 4.189 12.839 ( -0.849 -7.182 9.420) 11.876 13.428 ( -10.115 1.735 -14.155) 17.484 13.780 ( -13.187 -5.621 8.072) 16.451 14.541 ( 1.654 4.415 5.927) 7.574 14.817 ( 6.116 0.343 -10.276) 11.963 15.497 ( 0.753 -6.060 5.327) 8.104 15.659 ( 5.208 3.032 -1.589) 6.232 16.378 ( 0.894 -0.732 0.381) 1.217 16.812 ( 6.049 0.041 -6.075) 8.573 ======================= Grid point 350 (163/300) ======================= q-point: (-0.27 -0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -26.005 0.000 4.077) 26.322 3.176 ( -22.894 0.000 1.264) 22.929 3.572 ( 2.962 -0.000 2.047) 3.600 3.879 ( 12.463 -0.000 -8.354) 15.004 4.238 ( 7.025 -0.000 -3.176) 7.710 4.461 ( 1.731 -0.000 3.973) 4.334 4.472 ( 8.869 -0.000 0.644) 8.892 4.825 ( -6.962 0.000 3.843) 7.953 5.209 ( -16.567 0.000 -15.740) 22.852 5.280 ( 14.895 -0.000 4.119) 15.454 5.980 ( -2.408 0.000 -15.252) 15.441 6.411 ( -7.261 0.000 -4.253) 8.414 6.658 ( 6.780 -0.000 3.446) 7.605 6.880 ( -0.594 0.000 -6.566) 6.592 7.399 ( 0.308 -0.000 10.770) 10.775 7.548 ( -0.039 0.000 -5.228) 5.229 8.375 ( 4.797 -0.000 6.621) 8.176 8.425 ( 1.875 -0.000 3.344) 3.834 9.356 ( 0.333 -0.000 -3.200) 3.217 9.397 ( -3.847 0.000 -3.563) 5.243 9.939 ( 8.214 -0.000 -2.073) 8.471 10.544 ( 2.174 -0.000 1.780) 2.810 10.861 ( -7.259 0.000 8.644) 11.288 11.134 ( 9.705 -0.000 -3.160) 10.206 12.061 ( -2.075 0.000 0.156) 2.081 12.572 ( -3.043 0.000 1.592) 3.435 12.602 ( 4.545 -0.000 4.139) 6.147 12.734 ( -4.869 0.000 9.985) 11.109 13.772 ( -12.558 0.000 -19.929) 23.556 13.826 ( -15.543 0.000 8.793) 17.857 14.530 ( 1.111 -0.000 6.690) 6.781 14.820 ( 6.334 -0.000 -15.588) 16.826 15.262 ( 6.409 -0.000 9.489) 11.451 15.649 ( 3.064 -0.000 -0.916) 3.198 16.383 ( -0.175 0.000 1.353) 1.364 16.731 ( 7.239 -0.000 -5.998) 9.401 ======================= Grid point 351 (164/300) ======================= q-point: (-0.18 -0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -29.442 -0.786 6.113) 30.080 2.787 ( -27.001 -2.538 2.685) 27.252 3.655 ( 5.208 -0.075 2.470) 5.764 4.004 ( 11.221 4.013 -9.671) 15.348 4.324 ( -1.421 -4.965 -1.658) 5.424 4.389 ( -15.452 -3.016 -2.040) 15.875 4.568 ( -0.172 2.849 2.027) 3.501 4.710 ( -9.299 -7.008 -0.107) 11.644 5.006 ( 5.451 0.556 -4.622) 7.168 5.605 ( 20.676 -0.879 3.075) 20.922 5.861 ( -1.856 -0.160 -13.530) 13.658 6.295 ( -1.031 3.229 -2.646) 4.300 6.722 ( 3.870 8.692 0.704) 9.541 6.894 ( 3.294 -7.039 -4.569) 9.015 7.409 ( -0.804 1.165 1.691) 2.205 7.614 ( 6.475 0.295 1.117) 6.577 8.352 ( 1.236 12.371 2.373) 12.657 8.569 ( 1.956 -9.898 4.850) 11.194 9.316 ( -3.254 -2.045 -2.462) 4.565 9.364 ( -0.265 -2.996 -2.594) 3.971 10.062 ( 8.836 1.291 -3.077) 9.445 10.559 ( -1.647 -0.218 1.514) 2.248 10.788 ( -6.426 2.828 9.569) 11.868 11.326 ( 11.904 -4.882 -3.793) 13.414 11.940 ( -8.723 3.654 -2.477) 9.776 12.509 ( -0.640 8.683 -0.796) 8.743 12.660 ( -3.937 1.440 4.573) 6.203 12.726 ( 0.495 -4.114 6.055) 7.337 13.429 ( -15.349 -1.629 -15.154) 21.631 13.705 ( -9.325 -1.594 12.569) 15.731 14.573 ( 0.309 0.068 4.575) 4.585 14.855 ( 8.594 2.155 -12.470) 15.297 15.403 ( 2.328 -3.065 8.215) 9.072 15.699 ( 4.989 1.129 -2.109) 5.533 16.378 ( -1.145 0.275 1.535) 1.934 16.804 ( 6.432 -0.494 -8.724) 10.850 ======================= Grid point 352 (165/300) ======================= q-point: (-0.09 -0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -27.617 -5.381 11.799) 30.510 2.384 ( -29.106 -5.823 4.308) 29.994 3.748 ( 1.100 0.025 1.494) 1.856 3.913 ( -30.000 -10.528 0.144) 31.794 4.078 ( -0.010 1.846 -5.292) 5.604 4.328 ( -6.221 2.542 -5.397) 8.620 4.492 ( 0.436 -3.103 1.219) 3.362 4.764 ( 1.904 -8.351 -0.928) 8.616 5.188 ( 15.439 2.708 0.316) 15.678 5.772 ( -0.151 -1.063 -11.855) 11.903 5.963 ( 18.749 1.832 4.300) 19.323 6.300 ( 8.111 6.099 -2.041) 10.351 6.689 ( 4.610 9.095 -2.594) 10.521 7.026 ( 5.659 -6.736 -0.977) 8.851 7.389 ( -0.119 2.235 -0.824) 2.385 7.711 ( 6.760 3.166 -1.610) 7.636 8.258 ( 0.274 9.937 1.468) 10.049 8.685 ( -2.163 -8.007 4.754) 9.560 9.300 ( -2.090 -5.951 -1.661) 6.522 9.381 ( 0.624 -2.235 -1.327) 2.673 10.157 ( 6.821 2.222 -3.843) 8.138 10.516 ( -3.711 0.354 0.780) 3.809 10.704 ( -6.060 5.046 9.516) 12.359 11.524 ( 5.488 -7.878 -4.005) 10.403 11.744 ( -6.296 2.344 -4.065) 7.852 12.327 ( -5.211 17.815 -1.097) 18.594 12.627 ( -0.528 0.184 3.745) 3.787 12.812 ( -2.531 -8.752 1.672) 9.263 13.156 ( -10.749 -3.695 -11.712) 16.320 13.664 ( -5.851 1.360 12.604) 13.963 14.591 ( -0.834 0.017 3.417) 3.517 14.910 ( 8.664 3.758 -8.798) 12.907 15.477 ( -1.176 -3.137 4.371) 5.507 15.775 ( 6.532 1.754 0.280) 6.769 16.367 ( -1.451 -1.411 1.206) 2.356 16.854 ( 5.509 -1.510 -10.575) 12.019 ======================= Grid point 362 (166/300) ======================= q-point: (-0.18 -0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -29.461 0.000 11.845) 31.753 2.330 ( -29.897 0.000 5.722) 30.440 3.757 ( -43.718 0.000 1.180) 43.734 3.769 ( 6.529 -0.000 3.178) 7.261 4.132 ( 8.716 -0.000 -11.232) 14.217 4.361 ( -10.895 0.000 -7.172) 13.043 4.451 ( -1.033 0.000 4.681) 4.794 4.675 ( 5.605 -0.000 0.257) 5.611 5.215 ( 16.426 -0.000 -0.035) 16.426 5.763 ( -0.575 0.000 -11.583) 11.597 5.980 ( 21.026 -0.000 4.174) 21.437 6.357 ( 7.693 -0.000 -1.986) 7.946 6.841 ( 4.375 -0.000 -8.191) 9.286 6.900 ( 5.776 -0.000 4.777) 7.496 7.408 ( 0.239 -0.000 -1.451) 1.471 7.739 ( 7.482 -0.000 0.481) 7.497 8.481 ( -1.175 0.000 1.928) 2.258 8.489 ( -1.950 0.000 2.271) 2.993 9.236 ( -2.395 0.000 -1.243) 2.699 9.359 ( 1.534 -0.000 -1.025) 1.845 10.181 ( 6.627 -0.000 -2.887) 7.228 10.511 ( -4.674 0.000 1.226) 4.832 10.765 ( -4.890 0.000 8.837) 10.100 11.441 ( 7.094 -0.000 -3.988) 8.138 11.776 ( -10.025 0.000 -4.209) 10.873 12.585 ( -7.810 0.000 5.914) 9.797 12.637 ( 7.050 -0.000 3.310) 7.789 12.638 ( -7.739 0.000 -6.570) 10.152 13.108 ( -12.115 0.000 -11.549) 16.738 13.683 ( -3.431 0.000 14.887) 15.278 14.585 ( -0.974 0.000 2.160) 2.370 14.953 ( 9.285 -0.000 -9.140) 13.029 15.443 ( -0.781 0.000 5.996) 6.047 15.793 ( 6.571 -0.000 -0.137) 6.572 16.356 ( -2.502 0.000 1.652) 2.998 16.835 ( 5.152 -0.000 -12.599) 13.612 ======================= Grid point 363 (167/300) ======================= q-point: (-0.09 -0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -23.246 -3.982 22.137) 32.347 1.887 ( -30.661 -3.074 9.276) 32.180 3.051 ( -49.194 -11.839 6.248) 50.983 3.895 ( 6.047 0.005 3.612) 7.044 4.015 ( -15.178 6.692 -4.706) 17.243 4.214 ( 2.562 -5.365 -9.925) 11.570 4.555 ( 6.446 -0.145 4.838) 8.061 4.794 ( 7.929 -1.558 -2.513) 8.462 5.471 ( 15.488 2.515 -0.924) 15.718 5.711 ( 1.122 -1.217 -8.438) 8.599 6.295 ( 13.838 2.831 6.054) 15.367 6.490 ( 10.503 2.504 -2.190) 11.017 6.854 ( 7.803 6.876 -4.634) 11.386 7.073 ( 8.061 -4.821 1.873) 9.578 7.410 ( 2.768 1.340 -3.208) 4.444 7.851 ( 8.125 2.787 -2.215) 8.870 8.333 ( -4.061 9.667 1.141) 10.547 8.540 ( -6.891 -10.424 1.987) 12.652 9.230 ( -0.004 -3.242 -0.452) 3.273 9.394 ( 2.234 -0.462 0.919) 2.459 10.231 ( 1.441 1.714 -1.356) 2.618 10.431 ( -6.196 -1.257 0.854) 6.379 10.721 ( -2.868 3.624 4.802) 6.665 11.507 ( 1.422 -1.638 -2.514) 3.320 11.628 ( -4.117 -3.082 -3.491) 6.216 12.275 ( -15.538 13.335 -1.997) 20.573 12.549 ( -13.614 -12.362 0.752) 18.405 12.802 ( 8.452 6.233 -4.296) 11.346 12.925 ( -1.838 -6.221 -8.965) 11.065 13.696 ( -3.364 3.260 9.753) 10.820 14.568 ( -2.731 -0.928 1.238) 3.139 15.045 ( 8.567 2.864 -5.719) 10.692 15.446 ( -2.358 -1.420 2.238) 3.547 15.904 ( 6.013 1.116 3.454) 7.023 16.324 ( -2.843 -1.265 1.262) 3.358 16.848 ( 4.891 -2.413 -13.465) 14.527 ======================= Grid point 374 (168/300) ======================= q-point: (-0.09 -0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -28.776 0.000 14.747) 32.335 1.512 ( -16.615 0.000 30.901) 35.085 2.231 ( -47.348 0.000 18.262) 50.748 3.733 ( -16.984 0.000 -6.854) 18.315 3.999 ( 3.676 -0.000 2.515) 4.454 4.184 ( 2.552 -0.000 -7.033) 7.482 4.725 ( 9.480 -0.000 7.144) 11.870 4.927 ( 10.674 -0.000 -5.200) 11.873 5.689 ( 2.000 -0.000 -4.777) 5.178 5.720 ( 14.095 -0.000 -2.914) 14.393 6.495 ( 3.621 -0.000 8.817) 9.531 6.638 ( 7.270 -0.000 -3.107) 7.906 6.964 ( 5.138 -0.000 -3.973) 6.495 7.272 ( 16.346 -0.000 -0.043) 16.347 7.490 ( 9.058 -0.000 -4.107) 9.945 8.014 ( 12.290 -0.000 -2.000) 12.452 8.300 ( -9.687 0.000 -0.467) 9.698 8.321 ( -10.415 0.000 2.656) 10.748 9.227 ( 1.345 -0.000 0.058) 1.347 9.445 ( 2.293 -0.000 3.773) 4.415 10.210 ( -5.795 0.000 2.521) 6.319 10.319 ( -6.497 0.000 0.329) 6.505 10.703 ( -2.213 0.000 -3.890) 4.476 11.533 ( 3.110 -0.000 -0.528) 3.155 11.559 ( 0.799 -0.000 0.228) 0.830 12.053 ( -17.028 0.000 -8.048) 18.834 12.269 ( -12.731 0.000 4.023) 13.351 12.530 ( -22.393 0.000 -20.221) 30.172 13.136 ( 16.859 -0.000 -1.406) 16.917 13.662 ( -7.028 0.000 2.533) 7.470 14.507 ( -4.423 0.000 0.622) 4.466 15.167 ( 7.445 -0.000 -3.219) 8.111 15.403 ( -2.721 0.000 0.624) 2.792 16.011 ( 2.873 -0.000 4.544) 5.376 16.275 ( -2.948 0.000 0.902) 3.083 16.854 ( 6.473 -0.000 -9.259) 11.298 ======================= Grid point 375 (169/300) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.532 0.000 18.027) 18.035 1.616 ( 4.578 -0.000 18.819) 19.368 2.984 ( 2.379 -0.000 33.445) 33.530 3.161 ( -2.027 0.000 -4.635) 5.058 3.865 ( -1.262 0.000 -6.439) 6.561 4.247 ( -0.156 0.000 1.943) 1.949 4.975 ( 5.884 -0.000 -9.248) 10.961 5.222 ( 4.960 -0.000 9.770) 10.957 5.830 ( 2.646 -0.000 4.044) 4.833 5.912 ( 4.264 -0.000 -5.613) 7.050 6.470 ( -3.743 0.000 -7.971) 8.806 6.769 ( -1.625 0.000 8.667) 8.818 6.946 ( 0.103 -0.000 -1.553) 1.556 7.660 ( 0.761 -0.000 -4.364) 4.430 7.667 ( -0.910 0.000 -5.394) 5.471 7.897 ( -3.485 0.000 -0.489) 3.519 7.907 ( -7.387 0.000 -0.307) 7.393 8.288 ( 8.196 -0.000 -13.331) 15.649 9.279 ( 0.583 -0.000 0.486) 0.759 9.674 ( -6.853 0.000 8.684) 11.062 10.021 ( -4.881 0.000 -1.800) 5.203 10.174 ( -0.798 0.000 -0.258) 0.838 10.352 ( 13.986 -0.000 -5.856) 15.163 11.368 ( -8.752 0.000 2.681) 9.154 11.623 ( -3.976 0.000 -0.042) 3.976 11.788 ( 4.746 -0.000 3.711) 6.025 11.937 ( -6.271 0.000 0.262) 6.276 11.944 ( 13.286 -0.000 -1.381) 13.358 13.361 ( -0.569 0.000 -3.132) 3.183 13.592 ( -0.071 0.000 2.963) 2.964 14.389 ( 0.052 -0.000 -1.703) 1.704 15.302 ( -2.794 0.000 -0.660) 2.871 15.359 ( 2.632 -0.000 2.370) 3.542 16.149 ( -0.228 0.000 3.731) 3.738 16.211 ( -0.315 0.000 -0.671) 0.742 16.958 ( -0.006 0.000 -1.665) 1.665 ======================= Grid point 376 (170/300) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 9.689 -11.008 14.146) 20.376 2.079 ( 30.951 -11.308 13.339) 35.549 3.172 ( 1.465 -0.040 16.094) 16.160 3.210 ( 9.168 0.275 4.647) 10.282 3.826 ( -2.125 -3.823 -4.548) 6.310 4.251 ( -0.502 -1.213 0.873) 1.577 4.961 ( 1.127 3.899 -10.067) 10.854 5.346 ( 3.433 0.643 10.955) 11.499 5.810 ( -5.420 6.228 -0.499) 8.271 5.887 ( -2.600 -2.205 -4.742) 5.840 6.394 ( 0.461 -0.821 -7.015) 7.078 6.816 ( 1.581 0.426 8.956) 9.105 6.920 ( -1.735 2.788 -1.707) 3.701 7.360 ( -15.944 12.927 -3.123) 20.763 7.464 ( -13.105 8.008 -3.196) 15.687 7.777 ( -11.924 -6.772 -5.307) 14.704 8.033 ( 8.328 -5.601 -0.169) 10.038 8.384 ( 11.410 1.305 -6.634) 13.263 9.288 ( -0.594 -1.719 0.038) 1.819 9.605 ( -7.001 -0.983 9.238) 11.632 9.892 ( -6.409 3.310 -3.903) 8.202 10.229 ( 2.200 -6.239 -0.555) 6.639 10.732 ( 28.742 -3.572 -8.211) 30.104 11.273 ( -6.789 -2.087 7.566) 10.378 11.625 ( 6.072 4.516 -1.690) 7.754 11.778 ( -6.882 -7.736 0.572) 10.370 12.028 ( 12.338 -1.516 1.361) 12.505 12.243 ( 17.102 -10.326 -3.974) 20.369 13.242 ( -11.936 1.157 -1.999) 12.157 13.610 ( 4.136 3.977 2.129) 6.121 14.421 ( 2.120 -3.545 -2.057) 4.614 15.243 ( -2.635 2.657 1.019) 3.879 15.391 ( -0.301 -0.374 1.198) 1.291 16.159 ( -0.866 0.369 3.264) 3.397 16.231 ( 2.179 -1.858 -0.467) 2.902 16.853 ( -7.590 5.912 -2.245) 9.879 ======================= Grid point 377 (171/300) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 16.017 -11.842 9.023) 21.867 2.817 ( 29.854 -13.085 13.435) 35.256 3.293 ( 6.996 -2.943 2.019) 7.854 3.422 ( 14.915 1.448 3.893) 15.483 3.798 ( -4.620 -4.307 -1.488) 6.489 4.296 ( 2.698 -5.966 -0.488) 6.566 4.826 ( -4.446 6.436 -9.761) 12.509 5.424 ( -2.369 1.418 10.875) 11.220 5.564 ( -11.033 8.103 -4.929) 14.549 5.854 ( -0.900 -3.688 -5.032) 6.303 6.394 ( 2.530 1.438 -6.898) 7.487 6.789 ( -10.492 10.216 1.772) 14.751 6.812 ( -7.059 6.793 1.926) 9.985 7.016 ( -6.632 8.063 0.575) 10.456 7.184 ( -8.436 2.004 -1.725) 8.841 7.622 ( -10.277 -6.916 -6.205) 13.855 8.196 ( 4.839 -3.929 0.889) 6.296 8.523 ( 9.979 1.808 -1.955) 10.328 9.294 ( -0.698 -2.022 -0.272) 2.156 9.563 ( -5.950 -1.887 7.175) 9.511 9.744 ( -4.335 2.955 -3.451) 6.279 10.330 ( 3.562 -4.261 -0.025) 5.554 11.014 ( 3.441 0.251 0.063) 3.451 11.369 ( 10.182 -7.059 1.396) 12.468 11.674 ( 6.723 4.398 -2.929) 8.551 11.806 ( 0.078 -9.624 1.303) 9.713 12.296 ( 15.035 -4.645 -0.467) 15.743 12.633 ( 18.982 -14.249 -5.719) 24.414 12.951 ( -16.923 6.120 -0.324) 17.998 13.687 ( 6.264 0.165 0.682) 6.303 14.467 ( 0.017 -3.828 -2.228) 4.429 15.185 ( -2.010 3.974 3.533) 5.685 15.377 ( -1.811 -0.333 -0.445) 1.895 16.151 ( -1.943 0.579 3.787) 4.295 16.308 ( 4.212 -3.152 -0.087) 5.262 16.601 ( -10.281 10.356 -4.617) 15.305 ======================= Grid point 378 (172/300) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 16.914 -10.277 4.466) 20.289 3.223 ( 4.482 -0.556 14.388) 15.080 3.492 ( 10.521 -0.996 -4.902) 11.650 3.712 ( 0.338 2.185 2.605) 3.417 3.865 ( 25.463 -14.675 -2.966) 29.539 4.447 ( 6.014 -9.976 -2.935) 12.013 4.608 ( -8.026 4.956 -6.888) 11.680 5.193 ( -18.656 3.628 -1.886) 19.099 5.434 ( -1.147 8.025 3.088) 8.674 5.873 ( 1.332 -4.059 -7.519) 8.648 6.256 ( -11.443 11.040 -1.785) 16.000 6.461 ( -10.667 8.101 -4.961) 14.284 6.636 ( -3.877 9.809 2.454) 10.829 6.860 ( -3.529 3.479 -3.484) 6.058 7.207 ( 1.654 -5.962 4.526) 7.666 7.499 ( -7.858 -4.727 -4.548) 10.236 8.253 ( -0.525 0.619 1.322) 1.552 8.659 ( 8.177 0.787 1.757) 8.401 9.310 ( 1.073 -1.691 -0.286) 2.023 9.513 ( -5.599 -2.241 2.264) 6.442 9.682 ( 0.182 0.302 -1.308) 1.355 10.408 ( 2.732 -0.810 0.273) 2.863 10.998 ( -5.311 -2.052 5.279) 7.765 11.545 ( 3.814 -4.067 -2.398) 6.069 11.770 ( 8.029 -1.387 -3.669) 8.936 11.946 ( 5.093 -6.577 2.154) 8.593 12.462 ( -6.605 3.575 0.939) 7.569 12.720 ( 4.272 0.206 0.922) 4.376 13.024 ( 16.007 -12.366 -7.547) 21.589 13.814 ( 6.745 -3.982 1.020) 7.899 14.454 ( -4.077 -2.533 -2.001) 5.200 15.142 ( -1.855 4.747 6.195) 8.022 15.346 ( -0.974 -0.661 -2.615) 2.868 16.108 ( -7.794 2.603 6.894) 10.726 16.320 ( -3.191 8.395 -7.455) 11.672 16.430 ( 5.634 -2.709 -1.604) 6.454 ======================= Grid point 379 (173/300) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 10.754 -5.849 2.107) 12.422 3.310 ( -0.966 -0.055 5.797) 5.877 3.521 ( -0.627 0.052 -3.311) 3.370 3.739 ( 5.566 4.249 1.078) 7.085 4.325 ( -0.992 0.510 -4.949) 5.073 4.450 ( 15.947 -6.682 -3.341) 17.610 4.675 ( 3.895 -9.641 -1.881) 10.566 4.884 ( -11.572 -2.753 0.188) 11.897 5.322 ( -4.535 7.957 0.792) 9.192 5.788 ( -7.242 3.823 -9.008) 12.174 5.978 ( -5.493 9.161 -2.210) 10.908 6.204 ( -8.058 6.691 -6.219) 12.181 6.542 ( -2.005 5.946 3.955) 7.417 6.827 ( 3.777 -0.409 -6.215) 7.284 7.287 ( -3.286 -5.657 3.812) 7.572 7.422 ( -2.095 -2.776 -1.899) 3.963 8.205 ( -3.164 3.629 2.720) 5.530 8.788 ( 5.579 0.044 4.875) 7.409 9.361 ( 3.555 -1.661 -1.269) 4.124 9.464 ( -3.344 -2.223 -0.524) 4.049 9.707 ( 2.481 -1.745 -1.798) 3.526 10.437 ( 1.137 1.420 0.643) 1.929 10.971 ( -5.567 -4.271 6.653) 9.670 11.606 ( 1.953 -4.697 -3.938) 6.433 11.847 ( 0.883 -2.661 -4.137) 4.998 11.988 ( -7.213 4.109 -1.913) 8.519 12.327 ( 1.437 -0.996 8.581) 8.758 12.920 ( 9.975 -3.486 1.812) 10.720 13.256 ( 8.222 -4.572 -9.714) 13.523 13.998 ( 7.191 -7.387 2.626) 10.638 14.362 ( -7.627 -1.071 -0.800) 7.743 15.073 ( -5.568 5.948 5.468) 9.812 15.353 ( 3.426 -1.399 -3.299) 4.957 15.903 ( -10.200 7.121 1.436) 12.523 16.280 ( 4.788 1.890 -2.538) 5.739 16.550 ( 5.861 -2.936 -1.263) 6.676 ======================= Grid point 380 (174/300) ======================= q-point: (-0.55 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( -7.071 1.750 6.372) 9.678 3.256 ( -5.020 2.298 -0.302) 5.529 3.553 ( 4.823 -2.786 -5.029) 7.505 3.720 ( -1.106 5.014 -1.433) 5.331 4.254 ( 0.703 0.938 -4.165) 4.327 4.570 ( -7.092 -0.895 0.432) 7.161 4.714 ( 6.914 -4.024 0.261) 8.004 5.066 ( 6.802 -9.788 2.335) 12.146 5.161 ( -5.874 5.283 0.030) 7.901 5.600 ( -2.226 4.168 -7.036) 8.476 5.831 ( 0.904 10.949 -3.096) 11.414 6.006 ( -7.563 0.699 -6.510) 10.004 6.469 ( -2.793 2.375 -2.317) 4.337 6.897 ( 7.919 1.120 -3.687) 8.807 7.273 ( -4.280 -5.286 1.474) 6.959 7.449 ( 0.734 -3.175 -0.363) 3.279 8.147 ( -1.839 2.784 4.290) 5.435 8.887 ( 2.628 0.646 6.771) 7.292 9.407 ( 1.687 0.836 -3.016) 3.555 9.457 ( 0.673 -2.854 -1.622) 3.351 9.764 ( 4.188 -2.107 -3.773) 6.018 10.441 ( -0.104 -0.083 1.096) 1.104 10.963 ( -5.834 -3.897 7.858) 10.534 11.661 ( 1.070 -6.609 -4.352) 7.985 11.784 ( -3.248 9.309 -1.786) 10.020 11.807 ( -6.381 -4.398 -4.102) 8.768 12.516 ( 7.771 -4.455 8.472) 12.329 13.065 ( 1.406 -3.244 3.076) 4.686 13.301 ( 3.633 2.424 -8.550) 9.601 14.098 ( -7.580 -2.634 0.187) 8.026 14.322 ( 3.952 -4.984 3.366) 7.197 14.913 ( -7.845 6.605 1.325) 10.341 15.439 ( 6.003 -2.658 -2.576) 7.052 15.728 ( -4.557 4.952 0.385) 6.740 16.348 ( 5.246 1.026 -0.052) 5.346 16.651 ( 4.838 -1.601 -2.496) 5.674 ======================= Grid point 381 (175/300) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -17.160 6.312 11.524) 21.613 3.035 ( -16.657 7.835 1.094) 18.440 3.652 ( 6.923 -4.077 -4.789) 9.353 3.707 ( 4.525 0.806 -2.776) 5.370 4.212 ( -3.476 -0.911 -4.241) 5.559 4.529 ( -3.109 -2.620 2.073) 4.564 4.819 ( 0.777 1.209 -0.614) 1.563 5.006 ( -7.528 3.188 4.245) 9.212 5.104 ( -0.420 10.329 1.018) 10.387 5.598 ( 5.022 -0.288 -9.916) 11.118 5.789 ( 4.751 2.066 1.358) 5.356 5.935 ( 1.904 -4.839 -2.457) 5.752 6.416 ( 0.700 -1.725 -5.736) 6.031 6.994 ( 7.186 1.823 -2.435) 7.804 7.290 ( -0.966 -6.267 -0.191) 6.344 7.481 ( 0.589 -2.841 -1.671) 3.348 8.152 ( 1.175 0.396 4.262) 4.438 8.928 ( -0.863 2.047 5.908) 6.312 9.401 ( 1.461 1.837 -1.749) 2.927 9.457 ( -1.111 1.083 -2.901) 3.290 9.851 ( 6.964 -3.084 -5.993) 9.691 10.454 ( -0.961 -3.233 0.987) 3.514 10.919 ( -8.466 -1.499 8.695) 12.228 11.682 ( -4.641 0.491 -5.022) 6.855 11.713 ( 7.228 9.665 -2.568) 12.339 11.769 ( -2.099 -15.685 -0.883) 15.849 12.682 ( 3.204 -1.039 3.540) 4.886 13.066 ( -6.155 -3.129 3.420) 7.706 13.249 ( 0.074 7.195 -4.765) 8.630 13.929 ( -12.731 -1.168 3.163) 13.170 14.514 ( 8.641 -5.940 2.127) 10.700 14.749 ( -5.425 4.127 -0.429) 6.830 15.536 ( 2.102 -3.897 -3.158) 5.438 15.669 ( 2.716 3.605 1.592) 4.786 16.411 ( 3.767 1.994 0.248) 4.270 16.704 ( 3.620 0.525 -5.140) 6.309 ======================= Grid point 382 (176/300) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -17.184 8.272 18.226) 26.380 2.639 ( -22.814 9.072 6.426) 25.378 3.756 ( 0.471 -0.779 -4.929) 5.013 3.791 ( 7.487 -3.299 -1.966) 8.415 4.117 ( -4.629 0.394 -2.264) 5.168 4.424 ( -23.413 5.770 2.391) 24.232 4.602 ( -1.196 8.614 4.165) 9.642 4.889 ( -1.194 8.522 -2.777) 9.042 5.189 ( 10.584 -1.280 4.633) 11.624 5.583 ( 2.638 0.821 -9.018) 9.432 5.978 ( 10.720 -7.972 2.574) 13.605 6.105 ( 11.757 -6.311 -1.061) 13.386 6.470 ( 5.003 -5.333 -4.379) 8.523 7.069 ( 5.177 -0.129 -3.081) 6.026 7.328 ( -1.180 -3.089 0.242) 3.316 7.525 ( 3.572 -4.633 -4.326) 7.276 8.212 ( 2.545 -1.193 2.945) 4.072 8.879 ( -4.826 3.915 2.608) 6.739 9.377 ( -1.568 4.831 -1.665) 5.345 9.409 ( 1.122 1.473 -0.092) 1.854 9.968 ( 7.275 -4.023 -7.549) 11.229 10.474 ( -1.168 -3.340 -0.035) 3.539 10.835 ( -9.325 -2.141 9.313) 13.352 11.562 ( -4.219 2.014 -3.206) 5.669 11.723 ( 4.612 7.305 -1.949) 8.856 11.953 ( 4.512 -14.480 -0.677) 15.182 12.655 ( -4.316 2.272 -1.630) 5.142 12.962 ( -11.186 -0.058 -0.066) 11.186 13.127 ( -1.948 10.173 -1.605) 10.482 13.795 ( -10.120 -4.916 6.918) 13.208 14.649 ( 0.926 3.146 -6.457) 7.242 14.730 ( 5.451 -6.672 7.290) 11.286 15.525 ( -2.465 -0.764 -2.488) 3.585 15.772 ( 7.943 -1.276 2.213) 8.344 16.427 ( 0.979 3.173 0.209) 3.327 16.703 ( 3.534 3.169 -9.019) 10.192 ======================= Grid point 383 (177/300) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -24.145 9.320 11.692) 28.399 2.355 ( -12.104 7.370 26.538) 30.084 3.486 ( -26.605 15.544 1.968) 30.876 3.874 ( -12.081 1.407 0.086) 12.163 3.957 ( -3.067 0.872 -0.474) 3.224 4.130 ( 4.736 1.858 -2.705) 5.762 4.677 ( 6.447 -0.456 6.887) 9.445 4.784 ( 0.383 5.574 -4.426) 7.128 5.417 ( 10.429 -3.798 2.674) 11.416 5.595 ( 4.726 0.378 -5.590) 7.330 6.270 ( 11.348 -10.225 0.841) 15.298 6.369 ( 12.602 -5.212 0.784) 13.660 6.628 ( 10.109 -7.340 -3.069) 12.864 7.146 ( 5.175 -2.234 -2.766) 6.279 7.300 ( -3.407 -1.491 -1.461) 3.995 7.645 ( 8.234 -5.286 -5.739) 11.344 8.269 ( 0.773 -1.307 1.751) 2.317 8.722 ( -9.158 6.075 -0.101) 10.991 9.304 ( -0.308 4.937 -0.675) 4.992 9.435 ( 2.515 0.256 1.920) 3.174 10.066 ( 5.210 -3.924 -7.700) 10.091 10.456 ( -2.916 0.509 -0.815) 3.070 10.772 ( -8.916 -4.555 8.666) 13.241 11.491 ( -0.593 1.201 -1.272) 1.847 11.702 ( 3.531 8.946 -1.098) 9.680 12.037 ( -8.441 -5.901 -1.613) 10.424 12.565 ( -9.736 -2.384 -3.730) 10.695 12.768 ( -2.560 3.141 -0.854) 4.141 12.957 ( -3.962 11.232 -3.473) 12.406 13.742 ( -8.532 -6.138 5.382) 11.808 14.596 ( -0.820 2.581 -3.055) 4.083 14.928 ( 7.097 -5.673 4.137) 9.983 15.469 ( -2.643 0.535 -2.256) 3.516 15.942 ( 6.810 -3.874 4.397) 8.984 16.388 ( -1.873 3.510 0.342) 3.994 16.677 ( 5.909 4.525 -11.252) 13.490 ======================= Grid point 384 (178/300) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -21.947 7.035 15.826) 27.957 2.258 ( -13.479 13.380 27.068) 33.067 2.855 ( -26.590 16.597 18.191) 36.241 3.579 ( -16.903 -1.700 -4.712) 17.630 3.992 ( 2.504 2.279 -4.839) 5.906 4.181 ( 4.539 3.846 1.297) 6.089 4.783 ( 6.016 -1.512 -6.887) 9.268 4.862 ( 7.978 -2.087 9.833) 12.834 5.603 ( 5.863 -3.872 1.688) 7.226 5.679 ( 9.327 0.180 -3.334) 9.906 6.481 ( 7.543 -4.433 -6.320) 10.794 6.595 ( 4.545 -6.662 7.039) 10.705 6.904 ( 14.023 -4.929 0.091) 14.865 7.199 ( 1.383 -1.755 -1.421) 2.648 7.335 ( 6.355 -9.403 -5.894) 12.788 7.813 ( 11.813 -3.315 -7.829) 14.554 8.266 ( -3.062 0.178 0.757) 3.159 8.479 ( -12.292 6.767 -0.511) 14.041 9.267 ( 0.841 3.487 -0.047) 3.587 9.515 ( 4.599 -1.276 3.727) 6.055 10.124 ( 2.782 -3.154 -6.556) 7.789 10.360 ( -6.193 2.725 0.205) 6.769 10.684 ( -11.176 -0.873 3.695) 11.804 11.513 ( 4.182 -0.449 0.313) 4.218 11.670 ( 2.363 7.102 -0.810) 7.529 11.841 ( -13.416 0.559 -2.582) 13.674 12.257 ( -21.055 1.058 -3.791) 21.420 12.553 ( -12.582 17.598 -3.738) 21.954 13.037 ( 14.340 -5.591 -1.676) 15.483 13.666 ( -8.444 -3.436 1.777) 9.288 14.529 ( -2.233 3.373 -2.051) 4.535 15.109 ( 6.225 -4.860 3.274) 8.550 15.411 ( -2.101 0.958 -1.642) 2.833 16.081 ( 2.391 -2.555 4.578) 5.762 16.314 ( -3.076 3.006 0.006) 4.301 16.726 ( 10.087 0.617 -7.244) 12.434 ======================= Grid point 385 (179/300) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -12.557 4.008 18.983) 23.111 1.813 ( -25.302 20.492 18.132) 37.268 2.765 ( -1.034 1.363 35.421) 35.462 3.313 ( -12.168 -0.002 -5.450) 13.333 3.937 ( -0.403 3.652 -6.896) 7.814 4.225 ( 1.904 0.954 2.702) 3.440 4.890 ( 8.203 -2.739 -8.061) 11.823 5.063 ( 7.065 -1.531 9.643) 12.052 5.729 ( 4.919 -2.352 3.155) 6.299 5.821 ( 8.924 -0.585 -3.826) 9.727 6.539 ( 1.914 -0.827 -8.899) 9.140 6.725 ( -0.636 -5.208 8.320) 9.836 6.978 ( -1.372 3.950 1.088) 4.320 7.426 ( 15.515 -11.132 -3.502) 19.414 7.536 ( 8.865 -9.753 -4.638) 13.972 7.969 ( 7.935 0.614 -9.257) 12.208 8.142 ( -9.144 8.193 -3.452) 12.753 8.257 ( -5.613 -1.689 -0.356) 5.872 9.264 ( 1.413 1.453 0.372) 2.061 9.635 ( 4.467 -1.164 5.833) 7.439 10.124 ( -4.705 -1.881 -1.561) 5.302 10.240 ( -3.097 3.174 -0.607) 4.476 10.432 ( -13.550 6.377 -4.048) 15.513 11.541 ( -12.158 -1.116 -4.541) 13.026 11.636 ( 7.921 -2.238 1.338) 8.339 11.710 ( -0.438 4.165 1.859) 4.581 11.915 ( -10.905 5.259 0.481) 12.117 12.169 ( -12.795 12.019 -0.626) 17.566 13.290 ( 11.107 -1.696 -2.750) 11.567 13.588 ( -5.394 -4.050 2.088) 7.061 14.442 ( -2.714 3.313 -1.622) 4.579 15.255 ( 4.100 -4.261 2.478) 6.412 15.363 ( -1.377 1.895 -0.833) 2.486 16.129 ( -0.009 -0.331 3.747) 3.761 16.245 ( -2.242 1.731 -0.455) 2.869 16.879 ( 8.218 -3.076 -2.503) 9.125 ======================= Grid point 387 (180/300) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 18.691 -0.000 10.531) 21.454 2.677 ( 37.066 -0.000 10.691) 38.577 3.274 ( 4.532 -0.000 5.169) 6.874 3.450 ( 15.510 -0.000 4.789) 16.232 3.741 ( -3.422 0.000 -3.282) 4.742 4.242 ( -0.016 0.000 1.131) 1.131 4.890 ( -5.106 0.000 -10.590) 11.757 5.438 ( -3.376 0.000 11.108) 11.609 5.657 ( -8.068 0.000 -9.339) 12.341 5.804 ( -4.154 0.000 -1.036) 4.281 6.401 ( 4.368 -0.000 -6.795) 8.078 6.889 ( -4.134 0.000 0.380) 4.151 6.891 ( -3.473 0.000 9.294) 9.922 7.071 ( -16.150 0.000 -4.054) 16.651 7.231 ( -17.966 0.000 -2.681) 18.165 7.556 ( -6.264 0.000 -6.798) 9.244 8.145 ( 7.157 -0.000 1.030) 7.231 8.542 ( 9.690 -0.000 -2.412) 9.986 9.263 ( -0.833 0.000 -0.508) 0.975 9.552 ( -5.890 0.000 7.915) 9.866 9.777 ( -5.466 0.000 -3.877) 6.702 10.277 ( 5.864 -0.000 0.686) 5.904 11.018 ( 3.389 -0.000 0.575) 3.437 11.299 ( 13.221 -0.000 0.511) 13.231 11.647 ( -4.342 0.000 -0.618) 4.386 11.813 ( 14.125 -0.000 -3.870) 14.646 12.194 ( 8.593 -0.000 4.966) 9.925 12.516 ( 24.548 -0.000 -7.464) 25.658 13.007 ( -16.120 0.000 -1.158) 16.161 13.700 ( 3.926 -0.000 2.085) 4.445 14.424 ( 1.188 -0.000 -2.673) 2.925 15.224 ( -2.364 0.000 3.230) 4.003 15.372 ( -2.099 0.000 -0.043) 2.100 16.158 ( -1.905 0.000 3.532) 4.013 16.275 ( 4.421 -0.000 -0.207) 4.426 16.703 ( -11.062 0.000 -4.896) 12.097 ======================= Grid point 388 (181/300) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 20.801 -4.205 6.481) 22.189 3.213 ( 8.740 -0.553 17.098) 19.210 3.463 ( 22.853 -1.521 -8.812) 24.540 3.670 ( -2.774 -3.802 -2.175) 5.184 3.767 ( 21.605 1.320 1.363) 21.688 4.289 ( 2.910 -5.070 0.567) 5.873 4.686 ( -10.659 2.323 -9.441) 14.428 5.227 ( -20.266 0.660 0.022) 20.277 5.599 ( 2.435 8.498 -1.353) 8.943 5.767 ( -0.290 -6.736 -4.674) 8.204 6.394 ( -2.683 3.168 -5.465) 6.863 6.578 ( -21.224 4.497 -1.068) 21.722 6.793 ( -4.599 5.657 3.210) 7.967 6.926 ( -11.606 1.798 -4.144) 12.454 7.089 ( 2.583 -5.404 3.211) 6.796 7.457 ( -3.056 -0.020 -3.900) 4.955 8.250 ( 3.281 -0.539 2.673) 4.266 8.663 ( 6.133 -0.003 0.112) 6.134 9.264 ( 0.577 -2.053 -1.183) 2.439 9.486 ( -5.946 -0.543 3.356) 6.849 9.699 ( -1.764 0.895 -1.014) 2.223 10.387 ( 5.498 -1.001 0.974) 5.672 10.971 ( -7.936 -0.705 7.444) 10.903 11.514 ( 8.025 1.267 -3.751) 8.949 11.628 ( 0.654 -7.760 -3.385) 8.491 12.014 ( 16.509 7.399 -2.418) 18.252 12.386 ( 3.670 -8.946 4.543) 10.684 12.738 ( -12.076 1.761 -0.077) 12.204 12.907 ( 25.512 -1.619 -6.501) 26.377 13.781 ( 4.456 -0.286 2.775) 5.257 14.407 ( -2.804 -1.733 -2.903) 4.392 15.205 ( -2.085 1.756 5.506) 6.144 15.331 ( -2.230 -0.563 -1.629) 2.818 16.130 ( -5.243 0.462 5.650) 7.722 16.366 ( 5.396 -1.233 -0.039) 5.535 16.475 ( -7.054 4.008 -9.727) 12.666 ======================= Grid point 389 (182/300) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 17.446 -3.348 3.430) 18.092 3.316 ( 1.056 0.521 5.413) 5.539 3.530 ( -3.723 0.817 -2.102) 4.353 3.819 ( 11.898 3.235 -1.416) 12.411 4.218 ( 24.129 -6.620 -0.841) 25.035 4.390 ( -2.860 -4.425 -7.981) 9.563 4.486 ( -0.025 -5.583 1.023) 5.676 4.877 ( -20.173 0.415 -1.368) 20.224 5.480 ( -5.473 8.057 -2.122) 9.969 5.806 ( 0.640 -2.003 -8.957) 9.201 6.129 ( -11.950 7.588 -1.454) 14.230 6.297 ( -11.696 1.667 -6.133) 13.312 6.671 ( -4.396 5.973 1.359) 7.540 6.838 ( 4.276 1.635 -1.789) 4.915 7.191 ( 0.777 -4.891 2.742) 5.660 7.397 ( -2.156 0.615 -1.073) 2.485 8.275 ( -0.904 3.314 3.889) 5.189 8.757 ( 2.967 -2.748 2.787) 4.911 9.308 ( 2.626 -3.292 -1.719) 4.548 9.426 ( -3.246 -1.437 -0.393) 3.571 9.685 ( 0.627 -0.480 -0.343) 0.861 10.467 ( 3.189 1.022 1.200) 3.558 10.897 ( -8.149 -2.728 8.448) 12.051 11.518 ( -2.692 -2.959 -4.150) 5.764 11.713 ( 1.188 -6.482 -5.501) 8.584 12.177 ( 12.737 9.700 -0.439) 16.016 12.352 ( -8.501 2.437 6.117) 10.753 12.766 ( 5.495 -10.351 0.465) 11.728 13.249 ( 19.530 1.914 -7.168) 20.891 13.899 ( 5.261 -3.009 6.562) 8.933 14.326 ( -7.355 -2.265 -2.582) 8.118 15.162 ( -4.802 3.633 5.115) 7.900 15.315 ( 0.520 -2.392 -1.988) 3.154 15.997 ( -11.269 2.878 2.181) 11.833 16.344 ( 3.999 4.067 -6.825) 8.895 16.494 ( 6.219 -2.719 -1.143) 6.883 ======================= Grid point 390 (183/300) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 2.841 2.440 4.598) 5.931 3.308 ( -0.775 3.069 -0.494) 3.204 3.505 ( 2.530 -2.358 -3.708) 5.070 3.841 ( -1.364 7.705 -3.095) 8.415 4.251 ( -0.424 -1.603 -3.915) 4.251 4.535 ( -11.466 -2.950 0.383) 11.846 4.628 ( 7.267 -3.933 1.090) 8.334 4.774 ( 9.974 -17.167 1.596) 19.918 5.257 ( -12.760 4.299 0.068) 13.465 5.696 ( -1.323 5.863 -10.636) 12.217 5.983 ( -0.229 4.257 -4.726) 6.364 6.064 ( -8.454 3.174 -5.704) 10.681 6.565 ( -1.527 6.405 -3.290) 7.360 6.935 ( 9.292 3.097 -0.520) 9.808 7.220 ( -1.630 -0.785 2.161) 2.819 7.381 ( -0.946 -3.148 0.621) 3.345 8.225 ( -2.259 5.082 4.825) 7.363 8.843 ( -0.077 -5.079 5.346) 7.374 9.384 ( 3.111 -3.919 -2.064) 5.413 9.404 ( 0.228 -1.110 -2.894) 3.108 9.721 ( 3.007 -2.201 -2.232) 4.344 10.481 ( 0.019 3.248 1.841) 3.733 10.862 ( -7.025 -5.636 8.790) 12.585 11.454 ( -8.903 -9.364 -4.084) 13.551 11.717 ( -1.058 -1.701 -4.451) 4.881 12.136 ( 5.118 17.427 -2.455) 18.328 12.433 ( 6.603 -3.694 10.154) 12.663 12.927 ( 0.902 -9.368 0.284) 9.416 13.410 ( 11.039 6.794 -7.950) 15.205 14.039 ( -1.405 -2.749 5.159) 6.013 14.228 ( -3.504 -4.979 3.208) 6.882 15.025 ( -8.360 5.305 0.828) 9.935 15.368 ( 2.450 -4.652 -1.556) 5.483 15.814 ( -5.716 3.774 -1.817) 7.086 16.388 ( 7.105 2.883 -2.142) 7.961 16.609 ( 5.410 -2.522 -1.658) 6.195 ======================= Grid point 391 (184/300) ======================= q-point: (-0.55 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -11.832 7.947 8.672) 16.684 3.202 ( -8.410 9.376 -0.729) 12.616 3.576 ( 5.550 -3.811 -4.573) 8.139 3.746 ( 1.846 3.364 -3.004) 4.874 4.196 ( -6.043 -0.825 -4.087) 7.342 4.464 ( -2.813 -4.047 3.350) 5.959 4.773 ( 3.994 -5.088 -0.030) 6.468 5.039 ( -8.604 -0.002 4.344) 9.638 5.077 ( 3.757 -12.961 0.635) 13.509 5.608 ( 3.634 3.687 -9.375) 10.710 5.831 ( -6.402 4.418 -8.107) 11.235 6.005 ( 5.636 5.933 1.360) 8.295 6.455 ( -0.008 6.086 -7.617) 9.750 7.022 ( 4.063 1.025 -3.571) 5.505 7.230 ( 2.594 1.347 3.144) 4.293 7.418 ( 0.333 -4.266 0.461) 4.304 8.192 ( 0.530 3.420 4.262) 5.490 8.897 ( -3.773 -5.329 6.182) 8.992 9.408 ( 1.309 -0.944 -2.977) 3.386 9.445 ( 1.675 -1.732 -2.872) 3.749 9.797 ( 5.951 -2.742 -5.077) 8.289 10.447 ( -1.344 2.294 2.010) 3.333 10.849 ( -8.474 -5.574 9.426) 13.847 11.407 ( -7.166 -15.239 -2.296) 16.996 11.683 ( -0.456 1.606 -2.806) 3.265 12.076 ( 10.424 18.985 -2.228) 21.773 12.635 ( 5.625 -3.849 7.936) 10.461 12.962 ( -5.525 -6.201 0.941) 8.359 13.410 ( 2.191 8.298 -4.959) 9.912 13.915 ( -11.080 -0.202 -0.260) 11.085 14.383 ( 4.892 -7.484 10.368) 13.691 14.834 ( -6.920 4.627 -3.842) 9.168 15.442 ( 1.351 -5.915 -2.832) 6.696 15.735 ( 0.797 3.231 -0.734) 3.408 16.466 ( 6.426 3.490 -0.740) 7.350 16.692 ( 4.095 -1.555 -3.453) 5.578 ======================= Grid point 392 (185/300) ======================= q-point: (-0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -13.738 10.008 14.709) 22.478 2.867 ( -17.501 14.424 3.574) 22.959 3.694 ( 5.071 -4.545 -4.707) 8.278 3.783 ( 5.652 1.355 -0.923) 5.885 4.093 ( -4.857 -2.219 -1.906) 5.670 4.425 ( -9.102 -2.494 0.883) 9.478 4.783 ( -5.125 4.451 0.246) 6.792 4.972 ( -2.154 -0.272 2.675) 3.446 5.219 ( 5.790 1.437 2.742) 6.566 5.613 ( 3.575 2.189 -11.240) 11.996 5.745 ( 2.228 -9.993 -1.001) 10.287 6.091 ( 8.494 2.917 2.665) 9.368 6.414 ( 4.298 -0.042 -6.426) 7.732 7.025 ( -0.310 -3.509 -6.802) 7.661 7.297 ( 2.444 0.406 4.004) 4.709 7.474 ( 4.030 -1.433 -1.156) 4.431 8.226 ( 4.117 2.083 2.018) 5.035 8.879 ( -7.535 -3.955 4.108) 9.449 9.420 ( 0.599 -0.344 -1.002) 1.217 9.436 ( -0.735 1.272 -2.578) 2.967 9.902 ( 7.593 -2.754 -7.263) 10.862 10.438 ( 0.716 -0.063 0.688) 0.995 10.785 ( -10.796 -3.432 10.110) 15.183 11.473 ( -4.107 -15.675 -1.119) 16.243 11.660 ( 2.115 1.591 -0.179) 2.653 12.091 ( 13.609 17.704 -1.473) 22.379 12.698 ( -3.244 1.867 -0.273) 3.752 12.915 ( -7.367 -4.084 2.354) 8.746 13.288 ( -5.245 5.849 0.251) 7.860 13.752 ( -8.507 0.833 1.458) 8.671 14.587 ( 2.150 -8.205 12.144) 14.813 14.703 ( 0.372 2.665 -8.101) 8.537 15.478 ( -0.526 -4.226 -3.909) 5.781 15.761 ( 4.126 0.367 1.107) 4.287 16.505 ( 3.066 4.685 -0.399) 5.613 16.734 ( 3.934 0.137 -7.007) 8.036 ======================= Grid point 393 (186/300) ======================= q-point: (-0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -19.259 16.249 8.293) 26.527 2.514 ( -10.011 9.928 23.337) 27.266 3.659 ( -7.478 2.987 -4.231) 9.096 3.896 ( 6.948 -0.552 1.027) 7.045 4.098 ( -14.333 4.727 -0.764) 15.112 4.123 ( -5.399 4.772 0.849) 7.256 4.696 ( 1.684 3.207 4.900) 6.093 4.906 ( -2.686 5.297 -3.072) 6.687 5.349 ( 7.319 -1.900 4.193) 8.646 5.605 ( 5.489 0.845 -8.712) 10.332 6.005 ( 9.962 -17.400 -0.064) 20.050 6.261 ( 8.702 -5.049 2.766) 10.434 6.516 ( 8.852 -4.170 -3.514) 10.398 7.025 ( -0.474 -7.602 -8.693) 11.557 7.303 ( -3.768 0.355 3.077) 4.878 7.591 ( 9.963 -0.817 -1.675) 10.136 8.288 ( 4.823 2.685 -0.056) 5.520 8.767 ( -11.060 -1.471 1.068) 11.208 9.385 ( -1.037 3.027 -1.420) 3.501 9.430 ( 0.424 -0.735 1.036) 1.339 10.005 ( 7.043 -2.158 -7.483) 10.500 10.460 ( 0.773 0.077 -1.255) 1.476 10.698 ( -9.719 -3.091 10.244) 14.455 11.499 ( -1.491 -3.144 -0.790) 3.568 11.725 ( 0.969 -3.860 1.956) 4.435 12.133 ( 9.024 15.864 -0.680) 18.263 12.563 ( -7.821 2.079 -3.305) 8.741 12.776 ( -8.745 -0.739 -1.348) 8.879 13.165 ( -4.592 7.606 0.521) 8.900 13.650 ( -6.418 -2.010 4.454) 8.066 14.627 ( -1.836 0.036 -0.163) 1.843 14.807 ( 6.676 -6.411 3.406) 9.862 15.465 ( -1.349 -1.234 -3.776) 4.195 15.865 ( 4.829 -3.806 2.810) 6.760 16.473 ( -0.873 5.111 -0.180) 5.188 16.742 ( 4.516 1.940 -10.831) 11.894 ======================= Grid point 394 (187/300) ======================= q-point: (-0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -15.802 17.624 13.038) 27.024 2.460 ( -5.376 8.777 29.877) 31.600 3.319 ( -19.804 27.168 4.253) 33.888 3.586 ( -18.992 4.629 -1.135) 19.581 4.003 ( 4.073 -0.846 -1.092) 4.301 4.242 ( 7.146 0.557 -1.425) 7.308 4.762 ( 0.959 -0.984 -4.409) 4.619 4.844 ( 4.470 1.478 7.664) 8.994 5.507 ( 4.401 -5.773 3.036) 7.869 5.678 ( 8.777 -0.090 -6.113) 10.696 6.319 ( 9.722 -13.054 -1.799) 16.376 6.458 ( 3.739 -7.990 4.750) 10.019 6.759 ( 15.920 -8.494 -2.168) 18.174 7.066 ( -0.149 -13.540 -8.902) 16.205 7.221 ( -6.340 0.987 1.218) 6.530 7.779 ( 12.613 -1.655 -2.476) 12.960 8.311 ( 2.157 4.573 -1.184) 5.193 8.564 ( -13.467 1.556 -0.859) 13.583 9.338 ( -0.122 3.489 -0.467) 3.522 9.479 ( 2.687 -2.394 2.850) 4.591 10.081 ( 4.311 -1.439 -5.824) 7.387 10.407 ( -5.115 2.423 0.597) 5.691 10.656 ( -4.674 -1.999 4.590) 6.849 11.522 ( 3.504 0.223 -0.087) 3.512 11.712 ( -6.770 -0.382 0.504) 6.800 12.038 ( 0.934 17.908 0.849) 17.952 12.307 ( -15.385 4.085 -3.763) 16.357 12.812 ( 4.190 0.048 -1.578) 4.478 12.966 ( -3.506 6.804 -2.568) 8.074 13.606 ( -5.405 -2.273 3.237) 6.698 14.590 ( -0.984 2.445 -1.232) 2.909 14.991 ( 4.993 -7.244 3.922) 9.632 15.425 ( -1.308 0.404 -2.863) 3.173 16.004 ( 3.618 -5.296 4.452) 7.807 16.391 ( -2.700 4.850 -0.261) 5.558 16.737 ( 4.616 0.367 -11.121) 12.046 ======================= Grid point 395 (188/300) ======================= q-point: (-0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -5.901 17.677 16.851) 25.125 2.337 ( -14.958 27.321 20.221) 37.136 2.872 ( -6.633 14.159 23.690) 28.384 3.325 ( -9.997 1.611 -4.393) 11.038 4.020 ( 0.317 3.053 -3.232) 4.457 4.278 ( 2.399 5.037 -0.919) 5.654 4.796 ( 4.931 -6.517 -7.783) 11.286 5.022 ( 6.727 -2.232 11.774) 13.743 5.641 ( 3.052 -6.683 3.151) 7.994 5.803 ( 8.792 -1.094 -5.208) 10.277 6.501 ( 4.159 -4.056 -8.082) 9.954 6.591 ( 0.904 -7.984 8.098) 11.408 7.056 ( -0.497 1.688 3.286) 3.728 7.169 ( 6.905 -13.684 -3.437) 15.708 7.199 ( 3.151 -20.154 -7.006) 21.569 7.998 ( 14.343 -2.337 -5.330) 15.479 8.244 ( -3.165 6.474 -1.949) 7.465 8.304 ( -13.236 4.615 -1.581) 14.106 9.311 ( 0.716 3.209 0.340) 3.306 9.592 ( 4.508 -3.349 4.774) 7.371 10.077 ( -6.601 -2.819 0.086) 7.178 10.322 ( 2.797 5.443 -2.456) 6.595 10.574 ( -5.166 5.677 -2.675) 8.128 11.543 ( -9.932 1.023 -2.016) 10.186 11.620 ( 8.131 0.718 0.020) 8.163 11.823 ( -12.002 8.863 0.341) 14.924 12.098 ( 1.907 13.179 2.371) 13.526 12.516 ( -10.739 21.521 -4.991) 24.564 13.171 ( 11.402 -11.673 0.483) 16.325 13.530 ( -6.224 0.092 -0.021) 6.224 14.530 ( -1.158 4.881 -1.170) 5.151 15.143 ( 2.658 -7.141 2.588) 8.047 15.392 ( -0.326 1.011 -1.175) 1.584 16.106 ( 1.008 -2.520 4.154) 4.962 16.304 ( -2.169 4.216 -0.428) 4.760 16.782 ( 3.460 -6.259 -6.334) 9.553 ======================= Grid point 396 (189/300) ======================= q-point: (-0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 7.285 13.407 17.074) 22.898 1.904 ( -3.648 33.470 15.295) 36.980 2.982 ( 2.273 0.579 30.336) 30.426 3.180 ( -1.709 2.137 -4.415) 5.194 3.933 ( -1.729 5.963 -4.834) 7.869 4.263 ( 0.555 2.230 0.214) 2.308 4.907 ( 5.038 -6.941 -8.718) 12.229 5.205 ( 5.088 -1.600 11.239) 12.440 5.763 ( 1.026 -6.745 3.639) 7.733 5.902 ( 5.139 -0.931 -5.940) 7.909 6.472 ( -2.507 -0.011 -7.794) 8.187 6.725 ( 1.739 -4.610 7.545) 9.011 6.962 ( -4.242 1.308 -0.511) 4.469 7.342 ( -4.335 -23.566 -4.111) 24.311 7.481 ( 4.082 -14.274 -2.300) 15.024 8.050 ( -7.221 10.383 -2.176) 12.833 8.070 ( -6.415 7.680 -1.579) 10.131 8.216 ( 12.215 -4.255 -9.162) 15.851 9.302 ( 0.698 2.047 0.480) 2.216 9.678 ( -3.408 0.007 7.739) 8.456 9.963 ( -8.146 -4.434 0.487) 9.287 10.349 ( -3.761 7.281 -4.493) 9.345 10.428 ( 18.072 12.424 -6.458) 22.862 11.382 ( -6.992 2.325 1.509) 7.521 11.599 ( -6.952 -0.521 1.238) 7.080 11.800 ( 12.542 0.543 0.038) 12.554 12.012 ( -5.056 12.708 2.850) 13.971 12.203 ( 5.434 19.814 -3.067) 20.773 13.404 ( -3.719 3.694 -2.723) 5.907 13.444 ( 3.533 -13.137 2.372) 13.809 14.458 ( 0.064 5.914 -1.387) 6.075 15.231 ( -0.850 -5.896 0.816) 6.013 15.385 ( 0.768 1.247 0.808) 1.673 16.145 ( -0.233 -0.602 3.595) 3.652 16.244 ( -0.297 3.262 -0.584) 3.327 16.862 ( -1.335 -9.490 -2.391) 9.877 ======================= Grid point 399 (190/300) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 20.091 -0.000 4.192) 20.524 3.322 ( 1.669 -0.000 5.170) 5.432 3.542 ( -6.327 0.000 -1.645) 6.538 3.842 ( 21.209 -0.000 -3.526) 21.500 4.180 ( 24.981 -0.000 0.390) 24.984 4.290 ( -1.405 0.000 -3.381) 3.661 4.463 ( -9.228 0.000 -3.456) 9.854 4.882 ( -21.016 0.000 -1.219) 21.052 5.579 ( -10.344 0.000 -3.867) 11.044 5.762 ( 8.081 -0.000 -7.704) 11.165 6.241 ( -17.662 0.000 -2.661) 17.861 6.275 ( -10.531 0.000 -4.814) 11.579 6.727 ( -5.245 0.000 -3.658) 6.395 6.869 ( 4.852 -0.000 3.844) 6.190 7.127 ( 2.165 -0.000 1.412) 2.585 7.415 ( -1.797 0.000 -0.298) 1.822 8.311 ( 1.118 -0.000 4.934) 5.060 8.722 ( 0.904 -0.000 1.300) 1.583 9.271 ( 2.575 -0.000 -1.887) 3.193 9.412 ( -3.204 0.000 -0.526) 3.247 9.683 ( -0.598 0.000 0.516) 0.790 10.473 ( 4.009 -0.000 1.391) 4.243 10.874 ( -8.766 0.000 9.219) 12.721 11.496 ( -6.356 0.000 -3.729) 7.369 11.645 ( 6.500 -0.000 -5.697) 8.643 12.319 ( 16.536 -0.000 -5.668) 17.480 12.346 ( -6.020 0.000 9.044) 10.865 12.642 ( 0.056 -0.000 1.448) 1.450 13.273 ( 22.360 -0.000 -6.209) 23.207 13.874 ( 4.100 -0.000 7.867) 8.872 14.300 ( -7.248 0.000 -3.478) 8.039 15.204 ( -3.706 0.000 6.095) 7.133 15.283 ( -1.458 0.000 -2.729) 3.094 16.023 ( -10.802 0.000 2.557) 11.100 16.394 ( 2.806 -0.000 -9.324) 9.737 16.461 ( 6.374 -0.000 -0.198) 6.377 ======================= Grid point 400 (191/300) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 9.528 1.108 3.845) 10.334 3.362 ( 2.529 2.168 -0.786) 3.423 3.465 ( 0.208 -1.593 -3.223) 3.601 4.007 ( -0.503 9.546 -4.429) 10.536 4.175 ( -0.363 -6.968 -4.946) 8.553 4.469 ( 0.191 -2.923 2.146) 3.631 4.523 ( 0.437 -6.996 1.625) 7.196 4.590 ( 0.134 -0.721 1.767) 1.913 5.315 ( -17.810 1.627 -0.417) 17.889 5.794 ( 4.061 3.524 -15.156) 16.081 6.018 ( -4.703 0.344 -6.219) 7.805 6.091 ( -7.855 0.101 -2.828) 8.350 6.656 ( 0.308 2.520 -5.267) 5.847 7.014 ( 10.036 4.761 4.037) 11.819 7.169 ( 1.068 -4.732 0.464) 4.873 7.379 ( -2.355 1.963 2.508) 3.961 8.320 ( -1.777 3.939 6.110) 7.484 8.732 ( -3.213 -4.855 2.928) 6.517 9.323 ( 3.639 -1.968 -2.415) 4.790 9.385 ( 0.730 -0.683 -2.872) 3.041 9.692 ( 1.557 -0.756 -0.446) 1.788 10.519 ( 0.696 0.552 1.612) 1.841 10.795 ( -8.083 -1.183 9.925) 12.854 11.338 ( -10.881 -2.978 -4.100) 12.004 11.702 ( 3.868 -0.216 -4.726) 6.110 12.339 ( 0.456 0.889 7.945) 8.008 12.462 ( 10.516 9.315 -1.473) 14.125 12.744 ( 3.068 -9.115 1.565) 9.744 13.512 ( 13.471 3.226 -9.306) 16.688 14.014 ( 3.212 -0.016 13.687) 14.059 14.142 ( -9.678 -3.423 -1.856) 10.432 15.116 ( -7.936 3.916 2.224) 9.125 15.277 ( 0.217 -4.149 -2.553) 4.877 15.863 ( -6.127 1.342 -2.707) 6.832 16.438 ( 7.288 1.818 -3.925) 8.475 16.567 ( 5.797 -1.487 -0.949) 6.060 ======================= Grid point 401 (192/300) ======================= q-point: (-0.64 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( -7.042 6.053 5.213) 10.649 3.366 ( 0.773 7.129 -1.752) 7.382 3.515 ( 3.687 -2.356 -3.471) 5.584 3.835 ( -1.210 5.688 -4.166) 7.154 4.178 ( -7.579 -1.034 -4.468) 8.859 4.384 ( -2.011 -4.279 4.857) 6.778 4.627 ( 1.037 -10.629 0.059) 10.680 4.810 ( 6.807 -9.191 2.867) 11.791 5.039 ( -13.846 -0.569 4.077) 14.445 5.704 ( 2.966 5.316 -14.937) 16.130 5.901 ( -4.142 2.067 -9.401) 10.479 6.061 ( 3.969 0.431 0.761) 4.064 6.597 ( 1.695 6.809 -8.220) 10.807 7.048 ( -0.501 2.207 -3.537) 4.199 7.319 ( 5.066 -4.906 2.401) 7.450 7.337 ( 2.838 7.240 6.340) 10.033 8.272 ( -1.623 4.770 5.209) 7.247 8.746 ( -6.233 -9.397 4.465) 12.128 9.376 ( 1.997 -1.958 -2.881) 4.015 9.413 ( 3.066 -1.321 -3.306) 4.699 9.751 ( 5.584 -1.871 -3.254) 6.728 10.501 ( -2.390 1.974 1.934) 3.654 10.748 ( -7.583 -3.619 10.107) 13.144 11.196 ( -8.612 -7.214 -2.692) 11.553 11.729 ( 3.320 2.630 -1.865) 4.628 12.388 ( 8.821 11.741 -0.067) 14.686 12.566 ( 5.524 -1.146 8.755) 10.415 12.845 ( -1.556 -6.403 0.741) 6.631 13.552 ( 2.828 6.742 -8.019) 10.851 13.910 ( -10.097 -0.919 -2.745) 10.504 14.249 ( 2.541 -5.993 17.210) 18.400 14.924 ( -8.356 4.768 -4.181) 10.490 15.323 ( 1.022 -6.137 -3.362) 7.072 15.786 ( 0.124 2.060 -2.464) 3.214 16.528 ( 7.534 2.652 -1.603) 8.146 16.657 ( 4.201 -1.781 -2.221) 5.074 ======================= Grid point 402 (193/300) ======================= q-point: (-0.55 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -10.043 9.899 9.087) 16.776 3.153 ( -11.334 14.930 1.744) 18.825 3.611 ( 5.161 -4.072 -1.759) 6.805 3.826 ( 5.279 3.337 -1.679) 6.466 4.045 ( -6.427 -2.690 -2.620) 7.444 4.374 ( -6.813 -2.431 1.045) 7.309 4.723 ( -0.207 -9.224 -1.199) 9.304 4.953 ( -3.970 -1.499 6.192) 7.506 5.054 ( 8.623 -14.580 2.478) 17.119 5.652 ( 5.025 2.977 -12.394) 13.701 5.755 ( -3.317 5.526 -6.768) 9.345 6.152 ( 5.380 1.756 3.595) 6.704 6.491 ( 1.583 8.011 -9.196) 12.299 6.978 ( -3.000 -1.033 -6.436) 7.176 7.303 ( -3.394 -1.427 4.814) 6.061 7.494 ( 9.905 5.108 3.447) 11.665 8.273 ( 3.757 2.456 1.847) 4.854 8.739 ( -9.307 -10.066 4.268) 14.359 9.395 ( -0.440 -2.109 -1.933) 2.894 9.442 ( 1.415 -0.126 -2.617) 2.978 9.865 ( 9.255 -1.241 -6.214) 11.217 10.457 ( -1.210 1.153 1.035) 1.966 10.711 ( -8.893 -3.767 10.787) 14.478 11.190 ( -1.859 -11.933 -1.354) 12.152 11.746 ( 3.790 5.694 1.793) 7.071 12.416 ( 11.287 15.019 -1.355) 18.836 12.708 ( 1.504 -1.395 3.978) 4.475 12.831 ( -5.477 -3.949 4.513) 8.122 13.381 ( -10.719 5.847 -1.879) 12.353 13.790 ( -3.551 1.150 -3.357) 5.020 14.430 ( -0.536 -7.800 17.123) 18.823 14.757 ( -1.579 3.153 -8.991) 9.658 15.378 ( 1.210 -5.834 -4.343) 7.373 15.781 ( 2.001 1.450 -0.774) 2.589 16.591 ( 4.155 4.034 -1.068) 5.889 16.716 ( 3.687 -1.737 -5.015) 6.462 ======================= Grid point 403 (194/300) ======================= q-point: (-0.45 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -9.211 11.423 14.837) 20.868 2.806 ( -12.334 19.355 7.424) 24.122 3.673 ( -2.156 -0.804 -0.392) 2.334 3.888 ( 4.671 0.190 -1.671) 4.964 4.021 ( 1.614 -5.452 -1.316) 5.836 4.265 ( -7.338 3.254 1.440) 8.155 4.760 ( -1.407 -0.591 0.439) 1.588 4.924 ( -4.060 -1.089 2.142) 4.718 5.345 ( 9.279 -4.973 3.664) 11.147 5.625 ( 2.582 1.875 -10.204) 10.691 5.720 ( 6.043 -6.685 -3.475) 9.658 6.215 ( 1.944 0.675 4.380) 4.839 6.474 ( 7.022 -0.053 -5.927) 9.189 6.914 ( -2.297 -3.956 -8.723) 9.849 7.286 ( -4.725 -2.277 4.260) 6.758 7.611 ( 8.169 3.156 2.248) 9.041 8.349 ( 7.719 3.165 -1.625) 8.499 8.671 ( -12.043 -8.210 2.493) 14.788 9.382 ( -2.673 -2.775 -0.429) 3.877 9.441 ( 1.038 1.637 -1.226) 2.293 9.989 ( 9.529 0.456 -6.860) 11.750 10.456 ( 0.622 -0.804 -0.892) 1.352 10.652 ( -8.622 -1.889 10.922) 14.043 11.316 ( 2.554 -12.529 -1.105) 12.834 11.769 ( 3.826 6.679 4.674) 9.005 12.457 ( 10.291 14.809 -0.590) 18.043 12.625 ( -5.366 3.961 -1.623) 6.864 12.771 ( -10.869 0.874 -0.855) 10.938 13.210 ( -6.170 -0.370 7.752) 9.915 13.690 ( -3.902 4.406 -1.194) 6.005 14.558 ( -2.668 -7.335 10.234) 12.871 14.736 ( 5.559 -0.595 -5.320) 7.718 15.416 ( 0.814 -3.768 -4.664) 6.051 15.814 ( 2.226 -1.408 0.904) 2.785 16.569 ( -0.704 4.702 -0.931) 4.844 16.751 ( 3.589 -0.734 -9.050) 9.763 ======================= Grid point 404 (195/300) ======================= q-point: (-0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -9.949 21.395 9.425) 25.408 2.637 ( -4.223 10.802 24.292) 26.918 3.556 ( -7.591 3.984 -1.233) 8.661 3.883 ( -9.848 8.380 -3.962) 13.524 4.031 ( -1.828 12.443 5.692) 13.805 4.183 ( 7.925 -5.302 -1.679) 9.682 4.747 ( -0.483 -0.179 1.119) 1.232 4.885 ( -1.114 0.106 2.216) 2.483 5.444 ( 2.388 1.437 4.174) 5.019 5.674 ( 8.605 -0.957 -9.219) 12.647 5.995 ( 10.441 -19.431 -1.173) 22.089 6.302 ( 1.370 -7.596 4.977) 9.184 6.628 ( 11.547 -5.020 -2.661) 12.870 6.876 ( -1.838 -6.558 -10.721) 12.701 7.227 ( -6.756 -0.795 3.161) 7.501 7.746 ( 8.382 -1.250 1.002) 8.533 8.417 ( 6.879 5.915 -3.558) 9.745 8.531 ( -13.457 -4.896 0.629) 14.334 9.373 ( -0.538 -1.293 -0.036) 1.401 9.446 ( 1.336 0.369 1.111) 1.777 10.070 ( 3.755 0.449 -3.990) 5.498 10.452 ( -0.022 1.989 -0.951) 2.205 10.612 ( -4.377 -2.460 6.445) 8.170 11.461 ( 4.589 -6.556 -1.569) 8.155 11.766 ( -1.392 6.265 4.283) 7.716 12.405 ( -10.113 6.015 -2.424) 12.014 12.409 ( -1.297 18.685 -0.083) 18.730 12.692 ( 4.641 -5.709 0.315) 7.364 13.152 ( -4.950 7.164 2.346) 9.019 13.602 ( -2.487 2.241 3.083) 4.551 14.603 ( -0.416 -1.641 1.450) 2.229 14.856 ( 4.743 -6.243 1.824) 8.050 15.420 ( -0.157 -1.164 -3.978) 4.148 15.898 ( 2.704 -5.392 2.942) 6.711 16.485 ( -2.892 4.724 -0.920) 5.615 16.735 ( 1.101 -0.544 -11.994) 12.057 ======================= Grid point 405 (196/300) ======================= q-point: (-0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -1.998 23.168 12.511) 26.406 2.648 ( -2.810 9.445 27.850) 29.542 3.379 ( -9.615 4.742 -2.615) 11.036 3.403 ( -9.696 35.034 4.481) 36.626 4.030 ( 0.139 -0.934 0.126) 0.953 4.352 ( 7.694 -0.586 -2.069) 7.989 4.694 ( -2.389 -2.343 -7.102) 7.850 4.989 ( 5.694 -1.771 11.961) 13.365 5.510 ( 0.789 -5.291 3.578) 6.436 5.784 ( 9.040 -0.920 -7.436) 11.741 6.314 ( 7.493 -16.742 -4.256) 18.829 6.432 ( 0.038 -9.324 8.217) 12.428 6.853 ( -2.826 -10.496 -10.421) 15.058 6.912 ( 13.379 -11.707 -2.169) 17.909 7.124 ( -7.226 0.880 2.646) 7.745 7.909 ( 7.410 -5.259 -1.335) 9.185 8.340 ( -11.128 -0.157 -1.124) 11.186 8.412 ( 2.513 8.680 -3.980) 9.874 9.374 ( 0.932 2.886 0.505) 3.074 9.514 ( 3.431 -4.449 3.028) 6.382 10.034 ( -7.877 -1.270 2.032) 8.234 10.440 ( 5.386 6.658 -2.677) 8.972 10.611 ( -0.571 -1.431 -0.502) 1.621 11.543 ( -1.197 -1.043 -1.888) 2.467 11.682 ( 1.421 5.601 1.100) 5.882 12.031 ( -14.577 11.737 -1.360) 18.764 12.378 ( 6.453 14.831 4.346) 16.747 12.866 ( 2.985 2.403 -2.103) 4.371 12.948 ( -2.659 2.743 -0.427) 3.844 13.577 ( -0.381 3.878 1.943) 4.354 14.600 ( 0.078 2.135 -0.534) 2.202 14.998 ( 2.535 -7.853 2.149) 8.527 15.401 ( -0.304 -0.119 -2.174) 2.199 16.022 ( 2.127 -6.383 4.744) 8.232 16.390 ( -2.509 4.451 -0.675) 5.154 16.677 ( -2.088 -4.155 -11.153) 12.084 ======================= Grid point 406 (197/300) ======================= q-point: (-0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 6.073 21.041 13.283) 25.614 2.559 ( -3.553 27.631 19.371) 33.931 3.094 ( 1.788 15.660 15.218) 21.909 3.251 ( -0.679 6.478 -2.649) 7.031 4.011 ( -2.649 0.849 -0.762) 2.885 4.368 ( 2.894 8.775 -3.360) 9.832 4.730 ( 2.639 -11.148 -7.737) 13.824 5.172 ( 4.884 -1.953 13.189) 14.199 5.600 ( -1.148 -9.222 3.381) 9.889 5.885 ( 6.741 -0.744 -7.237) 9.918 6.436 ( -1.199 -5.913 -5.384) 8.087 6.602 ( 3.785 -8.746 6.171) 11.353 6.876 ( -5.422 -18.881 -7.363) 20.979 6.998 ( -6.340 -1.423 0.052) 6.498 7.218 ( 5.333 -12.716 0.923) 13.820 8.040 ( 1.942 -6.148 -4.413) 7.812 8.177 ( -5.503 3.553 -1.089) 6.641 8.322 ( 3.200 10.418 -4.486) 11.785 9.351 ( -0.646 3.103 1.149) 3.371 9.644 ( 2.730 -4.362 4.222) 6.656 9.895 ( -11.058 -1.620 3.472) 11.703 10.437 ( 0.330 3.857 -2.907) 4.841 10.645 ( 12.606 7.049 -6.519) 15.846 11.447 ( -3.952 3.525 0.433) 5.313 11.647 ( -7.623 5.003 -1.562) 9.251 11.854 ( 9.702 6.119 1.575) 11.578 12.300 ( -4.168 15.811 3.900) 16.810 12.642 ( 6.193 24.975 -5.380) 26.288 13.127 ( -1.354 -17.611 2.376) 17.822 13.528 ( 2.760 7.979 -1.819) 8.636 14.564 ( 0.141 4.539 -1.088) 4.670 15.101 ( -0.086 -7.588 1.151) 7.675 15.395 ( 0.198 -0.123 -0.186) 0.298 16.115 ( 0.267 -3.086 4.506) 5.467 16.320 ( -0.430 4.322 -0.474) 4.369 16.646 ( -4.710 -11.652 -6.042) 13.945 ======================= Grid point 407 (198/300) ======================= q-point: (-0.09 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 7.239 18.232 11.089) 22.533 2.489 ( 20.581 27.882 14.811) 37.688 3.192 ( 5.721 3.672 17.832) 19.084 3.227 ( 6.068 3.157 -3.671) 7.763 3.921 ( -4.200 4.154 -1.407) 6.072 4.319 ( 2.697 6.912 -2.259) 7.756 4.824 ( 0.964 -10.119 -8.713) 13.388 5.323 ( 2.706 -1.828 11.958) 12.396 5.652 ( -6.600 -9.963 1.545) 12.050 5.914 ( 1.650 1.167 -7.107) 7.389 6.403 ( -0.488 -0.993 -7.141) 7.226 6.752 ( 0.504 -7.679 5.941) 9.722 6.857 ( -6.570 -5.102 -1.323) 8.423 7.005 ( -6.338 -18.624 -1.806) 19.755 7.290 ( -8.284 -8.894 -1.502) 12.247 7.920 ( -11.184 6.465 -5.913) 14.207 8.143 ( 5.553 4.528 1.083) 7.247 8.362 ( 9.613 -0.013 -4.945) 10.810 9.320 ( -1.087 1.302 0.881) 1.912 9.653 ( -5.991 3.326 7.270) 9.990 9.800 ( -5.341 -5.400 -1.921) 7.834 10.360 ( -0.561 5.678 -1.831) 5.992 10.830 ( 20.233 5.102 -7.456) 22.159 11.370 ( -1.476 7.733 4.683) 9.160 11.549 ( 0.919 -1.914 0.573) 2.199 12.025 ( -8.397 16.291 0.982) 18.354 12.052 ( 16.834 2.173 -2.333) 17.134 12.579 ( 14.410 22.906 -3.543) 27.293 13.139 ( -14.278 -10.977 0.461) 18.015 13.568 ( 8.640 2.392 -1.011) 9.022 14.515 ( 0.563 5.193 -1.574) 5.455 15.155 ( -1.811 -6.157 1.529) 6.597 15.397 ( -0.462 0.020 0.365) 0.589 16.148 ( -0.969 -0.944 3.610) 3.855 16.291 ( 2.121 4.077 -0.408) 4.614 16.651 ( -7.851 -14.325 -2.697) 16.556 ======================= Grid point 411 (199/300) ======================= q-point: ( 0.27 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -4.885 0.000 3.323) 5.908 3.435 ( 4.883 -0.000 -1.346) 5.066 3.497 ( 3.240 -0.000 -3.540) 4.799 3.912 ( -2.898 0.000 -5.269) 6.014 4.163 ( -6.104 0.000 -4.796) 7.762 4.326 ( -3.354 0.000 5.969) 6.847 4.496 ( -0.525 0.000 0.563) 0.770 4.737 ( 6.350 -0.000 3.532) 7.266 5.032 ( -15.652 0.000 4.128) 16.187 5.767 ( 2.169 -0.000 -18.681) 18.806 5.913 ( -1.834 0.000 -8.749) 8.939 6.058 ( 2.685 -0.000 1.063) 2.887 6.665 ( 3.376 -0.000 -8.309) 8.968 7.086 ( -3.605 0.000 -4.149) 5.496 7.246 ( 4.074 -0.000 3.821) 5.586 7.432 ( 7.865 -0.000 7.307) 10.736 8.338 ( -3.751 0.000 7.513) 8.398 8.626 ( -7.100 0.000 1.987) 7.373 9.354 ( 2.585 -0.000 -2.832) 3.834 9.400 ( 3.369 -0.000 -3.488) 4.850 9.733 ( 5.428 -0.000 -2.297) 5.894 10.511 ( -2.966 0.000 1.400) 3.280 10.724 ( -7.454 0.000 11.037) 13.318 11.128 ( -8.943 0.000 -3.220) 9.505 11.758 ( 4.990 -0.000 -1.623) 5.247 12.454 ( 6.045 -0.000 10.138) 11.803 12.646 ( 6.718 -0.000 -4.635) 8.162 12.736 ( 0.487 -0.000 4.999) 5.023 13.634 ( 6.790 -0.000 -10.179) 12.236 13.887 ( -14.114 0.000 -4.270) 14.745 14.188 ( 2.361 -0.000 21.397) 21.527 14.983 ( -9.609 0.000 -3.733) 10.309 15.250 ( 1.865 -0.000 -4.011) 4.424 15.807 ( 0.021 -0.000 -3.101) 3.101 16.555 ( 7.577 -0.000 -1.960) 7.826 16.638 ( 4.333 -0.000 -1.760) 4.677 ======================= Grid point 412 (200/300) ======================= q-point: (-0.64 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( -6.754 4.432 3.938) 8.987 3.390 ( -6.785 8.783 0.456) 11.107 3.539 ( 3.913 -3.584 1.267) 5.455 3.912 ( 4.159 4.999 -2.311) 6.901 3.999 ( -7.223 -2.011 -3.480) 8.266 4.352 ( -3.494 0.946 2.590) 4.451 4.492 ( -1.540 -12.102 -0.749) 12.223 4.858 ( 5.768 -4.751 1.741) 7.672 4.923 ( -3.251 -1.251 7.772) 8.517 5.703 ( 3.642 1.722 -15.090) 15.618 5.833 ( -1.041 2.258 -8.676) 9.026 6.151 ( 6.149 -0.797 1.765) 6.447 6.642 ( 2.084 5.477 -9.047) 10.779 6.977 ( -5.051 0.357 -6.364) 8.133 7.252 ( -4.680 -2.444 4.672) 7.050 7.637 ( 11.383 6.872 7.090) 15.069 8.303 ( -2.410 0.479 5.738) 6.242 8.555 ( -7.067 -7.026 0.931) 10.009 9.357 ( -1.263 -1.342 -2.441) 3.058 9.441 ( 3.055 0.006 -2.186) 3.757 9.852 ( 11.363 -0.266 -5.559) 12.652 10.456 ( -4.282 -0.877 0.920) 4.467 10.670 ( -7.187 -0.534 11.457) 13.535 11.043 ( -1.533 -3.763 -2.017) 4.537 11.838 ( 5.846 3.097 2.704) 7.147 12.610 ( 7.031 3.546 3.639) 8.675 12.673 ( 2.201 0.840 3.583) 4.288 12.774 ( -3.129 -2.598 4.219) 5.860 13.544 ( -7.995 10.820 -4.843) 14.298 13.735 ( -2.420 -7.374 -6.205) 9.937 14.322 ( -3.138 -3.022 22.133) 22.558 14.814 ( -3.161 2.210 -10.121) 10.831 15.284 ( 2.730 -3.236 -4.254) 6.002 15.805 ( 1.395 0.793 -2.010) 2.573 16.648 ( 5.051 1.876 -1.758) 5.668 16.683 ( 2.824 -1.352 -3.517) 4.709 ======================= Grid point 413 (201/300) ======================= q-point: (-0.55 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -6.026 8.779 8.276) 13.486 3.153 ( -8.498 15.878 4.469) 18.555 3.635 ( 0.257 -3.188 4.846) 5.806 3.907 ( 1.066 0.487 -0.297) 1.209 3.928 ( -2.486 -2.473 -4.365) 5.599 4.299 ( 1.221 1.939 0.826) 2.436 4.620 ( 0.168 -11.427 1.024) 11.474 4.931 ( -1.513 0.450 4.295) 4.576 5.106 ( 11.589 -13.367 1.931) 17.796 5.686 ( 4.754 1.860 -11.643) 12.713 5.743 ( 0.192 4.664 -6.539) 8.034 6.252 ( 2.253 1.315 4.293) 5.024 6.538 ( 1.245 6.973 -8.057) 10.728 6.865 ( -4.202 -1.882 -8.152) 9.362 7.226 ( -5.411 -3.407 5.599) 8.499 7.717 ( 4.139 7.744 5.512) 10.368 8.358 ( 2.204 -4.881 2.827) 6.056 8.514 ( -4.935 -4.953 -1.182) 7.090 9.322 ( -3.705 -3.011 -1.121) 4.904 9.469 ( 2.122 1.185 -0.779) 2.552 10.017 ( 12.928 2.168 -6.874) 14.802 10.418 ( -2.534 -3.093 -0.117) 4.000 10.627 ( -6.791 -0.793 11.019) 12.968 11.122 ( 5.840 -7.003 -1.627) 9.262 11.907 ( 4.636 6.634 5.902) 10.017 12.620 ( 0.416 4.030 -1.975) 4.507 12.675 ( -5.574 0.776 -0.505) 5.650 12.794 ( -1.705 -0.718 8.750) 8.943 13.299 ( -4.275 11.451 3.128) 12.617 13.729 ( -2.009 -1.862 -3.904) 4.769 14.407 ( -4.337 -7.073 15.914) 17.947 14.752 ( 4.044 1.532 -9.164) 10.134 15.339 ( 2.665 -3.785 -4.568) 6.504 15.806 ( 0.441 0.251 -0.781) 0.931 16.638 ( -1.142 2.361 -2.693) 3.759 16.730 ( 3.434 -1.019 -6.095) 7.070 ======================= Grid point 414 (202/300) ======================= q-point: (-0.45 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -4.886 12.884 10.226) 17.159 2.911 ( -4.627 18.263 12.309) 22.504 3.618 ( -6.146 2.144 3.467) 7.375 3.864 ( -1.689 -2.722 -3.359) 4.642 4.026 ( 6.097 -7.746 -0.943) 9.903 4.339 ( 5.083 9.866 3.414) 11.612 4.699 ( -1.559 -6.943 -0.286) 7.122 4.882 ( -3.455 2.990 3.823) 5.957 5.460 ( 12.223 -12.195 1.435) 17.325 5.626 ( 0.610 4.575 -5.717) 7.347 5.766 ( 7.757 -2.428 -6.440) 10.370 6.218 ( -4.842 -0.086 4.023) 6.295 6.567 ( 8.369 -1.574 -3.895) 9.365 6.785 ( -2.823 -3.871 -9.479) 10.621 7.191 ( -6.522 -2.764 4.925) 8.628 7.750 ( 3.544 1.892 2.754) 4.871 8.387 ( -10.936 -9.477 3.753) 14.950 8.521 ( 8.351 4.507 -5.571) 11.004 9.305 ( -1.717 -4.430 0.149) 4.753 9.483 ( 1.824 2.359 0.439) 3.014 10.105 ( 3.245 3.440 -2.627) 5.409 10.448 ( 3.989 -3.407 -2.807) 5.950 10.585 ( -5.292 0.271 7.986) 9.584 11.321 ( 10.373 -7.131 -2.179) 12.775 11.906 ( -1.024 7.543 5.066) 9.144 12.512 ( -14.559 0.205 -3.179) 14.903 12.535 ( -3.653 3.038 1.552) 4.998 12.784 ( 4.932 9.059 3.416) 10.866 13.261 ( 2.565 7.734 8.232) 11.583 13.665 ( -2.289 2.873 0.578) 3.719 14.509 ( -0.437 -7.741 7.689) 10.920 14.788 ( 4.851 -0.917 -4.565) 6.724 15.380 ( 1.468 -2.771 -4.529) 5.509 15.819 ( 0.178 -2.734 0.934) 2.895 16.556 ( -3.636 2.506 -2.921) 5.295 16.724 ( 0.175 -0.384 -9.469) 9.479 ======================= Grid point 415 (203/300) ======================= q-point: (-0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -0.719 20.410 8.726) 22.208 2.834 ( -0.947 11.710 21.385) 24.400 3.474 ( -6.619 5.606 -0.631) 8.697 3.852 ( -0.419 2.316 -1.135) 2.613 4.170 ( -1.851 17.539 3.374) 17.957 4.242 ( 5.712 -3.431 -2.782) 7.220 4.689 ( -2.991 -1.159 -3.354) 4.641 4.920 ( 3.128 -4.633 8.919) 10.526 5.527 ( 0.022 7.552 4.452) 8.767 5.741 ( 9.186 -6.316 -8.895) 14.262 5.963 ( 7.626 -14.992 -3.474) 17.175 6.235 ( -2.475 -10.647 6.259) 12.596 6.713 ( 1.012 -6.478 -12.519) 14.132 6.762 ( 7.129 -4.313 -0.051) 8.332 7.119 ( -7.386 -1.255 3.782) 8.392 7.829 ( 4.227 -2.915 0.043) 5.135 8.289 ( -9.843 -4.814 1.692) 11.087 8.558 ( 5.331 6.497 -5.689) 10.149 9.358 ( 1.914 -5.018 0.956) 5.455 9.489 ( 1.180 2.420 1.618) 3.141 10.040 ( -6.876 2.063 2.837) 7.719 10.527 ( -6.128 -4.301 4.429) 8.699 10.577 ( 12.630 4.973 -6.074) 14.871 11.515 ( 7.535 -1.917 -3.096) 8.369 11.801 ( -3.875 6.210 1.735) 7.523 12.211 ( -14.620 5.100 -1.677) 15.574 12.529 ( 1.789 1.027 5.138) 5.537 12.823 ( 4.714 5.926 3.960) 8.546 13.205 ( -0.041 13.336 0.249) 13.338 13.660 ( 3.639 4.795 5.034) 7.847 14.598 ( 1.023 -2.902 2.056) 3.701 14.866 ( 2.926 -5.203 -1.242) 6.098 15.386 ( -0.162 -1.496 -3.465) 3.778 15.886 ( 0.812 -7.083 3.347) 7.876 16.454 ( -3.841 2.012 -2.630) 5.071 16.637 ( -3.659 -0.154 -11.117) 11.704 ======================= Grid point 416 (204/300) ======================= q-point: (-0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 5.417 21.814 9.522) 24.410 2.850 ( -1.158 9.536 23.005) 24.930 3.320 ( -2.762 6.870 -2.431) 7.793 3.701 ( 3.005 32.458 2.240) 32.674 3.989 ( -4.498 -0.063 0.816) 4.572 4.435 ( 7.058 -9.470 -2.998) 12.185 4.603 ( -1.721 4.037 -5.915) 7.366 5.098 ( 3.351 -6.793 10.779) 13.174 5.501 ( -1.640 1.180 5.189) 5.568 5.869 ( 8.209 -1.645 -8.293) 11.784 6.169 ( -0.550 -19.525 -3.301) 19.809 6.377 ( -0.643 -13.749 6.844) 15.372 6.661 ( -2.057 -5.538 -13.901) 15.104 6.962 ( 3.056 -4.397 1.424) 5.541 7.045 ( -2.768 -4.166 3.467) 6.086 7.933 ( 4.652 -4.840 -2.779) 7.266 8.201 ( -4.583 -0.773 0.934) 4.741 8.500 ( 0.392 7.996 -5.722) 9.840 9.407 ( -1.204 1.520 1.696) 2.576 9.533 ( 2.634 -5.179 1.764) 6.072 9.908 ( -8.573 2.499 4.946) 10.208 10.474 ( -4.225 -0.929 0.808) 4.401 10.730 ( 14.661 3.830 -6.701) 16.568 11.512 ( -2.491 3.734 -0.565) 4.524 11.734 ( -2.263 3.649 -3.498) 5.539 12.014 ( 1.632 8.202 3.097) 8.917 12.531 ( -4.732 5.526 5.268) 8.983 12.866 ( -1.291 -5.834 3.109) 6.735 13.089 ( 8.753 21.283 -3.518) 23.280 13.695 ( 5.562 9.255 1.506) 10.902 14.619 ( 0.349 1.138 -0.666) 1.364 14.954 ( 0.458 -7.575 0.110) 7.590 15.380 ( -0.352 -1.586 -1.554) 2.248 16.002 ( 0.148 -8.944 5.891) 10.710 16.375 ( -2.389 0.396 -2.393) 3.405 16.504 ( -5.660 -1.517 -9.110) 10.832 ======================= Grid point 417 (205/300) ======================= q-point: (-0.18 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 7.404 21.224 8.043) 23.874 2.884 ( 3.972 11.326 20.877) 24.081 3.270 ( 5.022 4.259 -1.661) 6.791 3.522 ( 10.333 28.581 2.871) 30.526 3.940 ( -4.790 -1.756 0.727) 5.153 4.507 ( 4.007 10.916 -4.821) 12.588 4.600 ( 1.850 -12.583 -6.046) 14.082 5.251 ( -0.017 -7.389 9.322) 11.895 5.492 ( -5.272 -3.985 4.743) 8.135 5.940 ( 5.334 1.322 -7.942) 9.658 6.277 ( -4.596 -14.941 -2.128) 15.776 6.501 ( -5.742 -18.484 0.236) 19.357 6.626 ( -1.558 -7.145 -8.399) 11.137 6.917 ( -4.076 0.818 1.405) 4.388 7.148 ( -0.091 -6.060 3.154) 6.832 7.985 ( -2.660 0.363 -5.751) 6.346 8.192 ( 4.144 0.822 2.496) 4.907 8.404 ( 1.075 4.078 -4.895) 6.461 9.349 ( -3.485 2.009 2.216) 4.593 9.626 ( -0.317 -6.178 0.262) 6.192 9.782 ( -6.396 3.645 4.334) 8.542 10.425 ( -1.401 1.174 -0.821) 2.003 10.899 ( 13.406 2.554 -5.869) 14.856 11.471 ( 1.776 2.029 1.865) 3.279 11.603 ( -3.315 6.576 -0.059) 7.364 12.112 ( 13.174 5.147 0.583) 14.155 12.339 ( -7.387 13.777 2.191) 15.785 12.891 ( -9.630 -12.024 1.639) 15.492 13.041 ( 13.594 24.345 -4.679) 28.273 13.698 ( 7.428 10.228 -1.988) 12.796 14.591 ( -0.642 2.580 -1.379) 2.996 15.023 ( -1.131 -7.527 1.431) 7.745 15.385 ( -0.395 -1.536 -0.718) 1.741 16.101 ( -1.625 -5.815 6.862) 9.140 16.348 ( -1.339 -4.274 -2.882) 5.326 16.402 ( -4.422 -3.090 -4.489) 7.018 ======================= Grid point 418 (206/300) ======================= q-point: (-0.09 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 11.892 17.475 6.076) 21.993 3.031 ( 9.903 6.863 18.497) 22.076 3.362 ( 9.382 1.320 -2.642) 9.835 3.541 ( 17.679 17.394 1.478) 24.846 3.862 ( -3.862 3.006 0.094) 4.895 4.462 ( 5.834 10.186 -4.132) 12.444 4.667 ( -2.354 -9.135 -6.930) 11.705 5.343 ( -3.972 -10.670 3.287) 11.850 5.425 ( -10.288 -2.393 5.201) 11.773 5.926 ( 2.069 3.881 -7.591) 8.773 6.296 ( -4.942 -10.620 -3.919) 12.351 6.544 ( -10.638 -17.487 -1.034) 20.494 6.618 ( -5.049 -9.690 -3.323) 11.421 6.878 ( -2.146 -2.691 -0.406) 3.466 7.190 ( 1.058 1.081 3.770) 4.062 7.770 ( -11.578 7.650 -5.723) 15.011 8.253 ( 1.337 1.786 0.970) 2.433 8.480 ( 9.825 -2.652 -1.149) 10.241 9.311 ( -1.084 0.220 1.496) 1.860 9.613 ( -5.478 0.681 2.328) 5.991 9.698 ( -2.152 0.233 -0.305) 2.186 10.398 ( 0.751 2.474 -0.517) 2.636 11.016 ( 4.048 0.634 -1.238) 4.281 11.536 ( 4.554 9.058 1.661) 10.273 11.576 ( 7.541 -4.289 0.708) 8.704 12.083 ( -4.124 15.991 1.683) 16.599 12.341 ( 16.366 2.550 -3.334) 16.896 12.785 ( -15.495 -10.088 1.263) 18.533 13.008 ( 13.371 22.378 -6.097) 26.772 13.740 ( 8.270 6.327 -1.698) 10.551 14.536 ( -1.862 2.844 -1.614) 3.763 15.083 ( -1.355 -6.475 3.977) 7.718 15.377 ( -1.100 -0.550 -1.483) 1.927 16.134 ( -3.304 -2.239 6.445) 7.581 16.348 ( -7.638 -13.322 -5.183) 16.208 16.381 ( 4.312 3.250 -0.733) 5.449 ======================= Grid point 423 (207/300) ======================= q-point: (-0.64 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -4.248 0.000 4.195) 5.970 3.333 ( -6.523 0.000 3.246) 7.286 3.581 ( -0.582 0.000 8.093) 8.114 3.882 ( -1.664 0.000 -3.136) 3.550 3.944 ( -3.680 0.000 -1.762) 4.080 4.370 ( 4.017 -0.000 -5.323) 6.669 4.433 ( 2.242 -0.000 8.056) 8.362 4.947 ( 0.332 -0.000 6.760) 6.769 4.956 ( 9.577 -0.000 -0.594) 9.595 5.702 ( 4.973 -0.000 -12.280) 13.249 5.792 ( 0.326 -0.000 -8.082) 8.088 6.257 ( 4.904 -0.000 2.675) 5.586 6.643 ( -0.049 0.000 -7.828) 7.829 6.834 ( -6.763 0.000 -8.290) 10.699 7.188 ( -5.484 0.000 6.490) 8.497 7.829 ( 1.482 -0.000 6.673) 6.835 8.246 ( -6.717 0.000 7.628) 10.164 8.492 ( 4.707 -0.000 -5.125) 6.959 9.290 ( -4.079 0.000 -1.429) 4.322 9.481 ( 2.506 -0.000 -0.333) 2.528 10.046 ( 15.887 -0.000 -7.398) 17.525 10.377 ( -4.894 0.000 0.523) 4.922 10.620 ( -6.409 0.000 11.020) 12.748 11.057 ( 6.576 -0.000 -1.916) 6.850 11.978 ( 4.989 -0.000 6.009) 7.810 12.661 ( -1.572 0.000 -1.935) 2.493 12.675 ( -5.991 0.000 -0.806) 6.045 12.768 ( -1.781 0.000 13.595) 13.712 13.504 ( -1.256 0.000 0.702) 1.439 13.639 ( -0.322 0.000 -5.695) 5.704 14.335 ( -6.449 0.000 18.423) 19.519 14.771 ( 3.630 -0.000 -10.606) 11.210 15.298 ( 3.410 -0.000 -4.225) 5.430 15.811 ( -0.095 0.000 -1.441) 1.444 16.657 ( -1.279 0.000 -4.829) 4.996 16.721 ( 3.369 -0.000 -3.440) 4.815 ======================= Grid point 425 (208/300) ======================= q-point: (-0.55 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -1.966 5.293 6.022) 8.256 3.214 ( -4.430 10.918 7.162) 13.788 3.608 ( -4.125 -2.724 9.311) 10.541 3.848 ( -3.665 1.074 -2.859) 4.771 3.903 ( 2.511 -4.452 -1.610) 5.359 4.434 ( 8.357 1.668 -1.003) 8.580 4.569 ( 2.678 -4.442 7.078) 8.775 4.956 ( -1.013 3.482 3.331) 4.924 5.196 ( 13.891 -10.085 -2.556) 17.355 5.723 ( 4.638 2.111 -7.547) 9.106 5.765 ( 3.491 1.088 -6.428) 7.395 6.275 ( -5.824 3.312 3.042) 7.358 6.582 ( 3.115 3.623 -5.183) 7.049 6.705 ( -5.267 -4.942 -8.739) 11.337 7.143 ( -5.901 -1.680 6.565) 8.986 7.809 ( -1.882 3.292 3.302) 5.028 8.212 ( -7.847 -6.958 6.796) 12.497 8.582 ( 9.619 1.765 -6.616) 11.807 9.236 ( -2.459 -2.185 -0.151) 3.293 9.517 ( 2.250 1.022 0.859) 2.616 10.198 ( 4.707 5.968 -2.340) 7.953 10.342 ( -0.243 -6.693 -0.960) 6.766 10.604 ( 0.022 0.887 5.838) 5.905 11.222 ( 12.758 -2.882 -2.376) 13.293 12.017 ( -2.674 3.349 4.103) 5.933 12.470 ( -16.310 -1.357 -2.863) 16.615 12.642 ( 1.305 4.839 4.119) 6.487 12.824 ( -0.613 -2.296 9.784) 10.068 13.483 ( 4.415 12.958 3.039) 14.023 13.660 ( 1.050 -4.439 0.880) 4.646 14.369 ( -1.850 -5.167 11.594) 12.827 14.792 ( 4.973 0.532 -8.080) 9.503 15.333 ( 2.408 -1.660 -4.447) 5.322 15.790 ( -1.659 -0.560 -0.388) 1.793 16.580 ( -4.040 0.324 -5.697) 6.992 16.724 ( 0.133 0.218 -5.875) 5.880 ======================= Grid point 426 (209/300) ======================= q-point: (-0.45 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 0.118 10.136 6.579) 12.085 3.102 ( -0.570 14.563 12.491) 19.194 3.571 ( -4.867 3.639 3.954) 7.251 3.803 ( -1.294 -2.969 0.097) 3.240 4.026 ( 4.507 -10.078 -1.859) 11.195 4.564 ( 8.513 3.533 -0.561) 9.234 4.620 ( -3.218 3.472 4.346) 6.426 4.907 ( -0.884 3.310 5.213) 6.238 5.501 ( 10.446 -13.528 -7.755) 18.769 5.713 ( 3.206 8.812 1.894) 9.567 5.846 ( 8.721 -2.335 -4.921) 10.282 6.101 ( -10.799 -1.224 2.650) 11.187 6.590 ( -1.804 -6.701 -12.336) 14.154 6.707 ( 5.878 -1.919 1.202) 6.299 7.090 ( -6.415 -1.436 4.821) 8.152 7.801 ( 1.589 -0.279 0.176) 1.623 8.181 ( -7.223 -5.718 5.351) 10.654 8.653 ( 5.977 3.486 -6.951) 9.808 9.258 ( 0.956 -4.472 0.541) 4.605 9.541 ( 1.587 2.323 1.734) 3.304 10.112 ( -5.661 5.305 2.732) 8.225 10.396 ( -4.849 -7.875 3.864) 10.023 10.687 ( 12.434 5.047 -4.930) 14.296 11.468 ( 14.340 -2.739 -3.403) 14.990 11.898 ( -7.480 3.775 0.965) 8.434 12.192 ( -17.141 -3.885 -2.939) 17.820 12.633 ( 0.829 9.207 8.896) 12.829 12.900 ( 0.796 -0.332 7.803) 7.850 13.437 ( 3.245 10.278 -0.149) 10.779 13.754 ( 7.404 4.996 7.874) 11.907 14.491 ( 1.989 -7.238 6.589) 9.987 14.817 ( 3.098 -0.528 -6.810) 7.501 15.347 ( -0.017 -2.309 -4.615) 5.160 15.781 ( -1.778 -3.659 1.495) 4.335 16.469 ( -4.953 -0.007 -5.572) 7.455 16.654 ( -2.908 1.324 -7.699) 8.336 ======================= Grid point 427 (210/300) ======================= q-point: (-0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 4.632 14.194 6.443) 16.262 3.057 ( 0.568 13.076 15.987) 20.662 3.455 ( -2.781 7.387 -0.638) 7.918 3.843 ( -0.102 -4.906 2.071) 5.326 4.192 ( 3.217 -12.853 -2.664) 13.514 4.379 ( -4.911 25.118 0.335) 25.596 4.658 ( 3.949 -0.089 -2.719) 4.795 4.974 ( 1.340 -3.796 9.416) 10.240 5.628 ( 1.301 6.401 -1.709) 6.752 5.716 ( 0.344 -9.932 -0.124) 9.939 5.956 ( 5.394 -1.624 -7.333) 9.247 6.109 ( -1.434 -13.607 5.779) 14.853 6.547 ( -1.619 -7.544 -14.445) 16.376 6.874 ( 7.978 -3.699 4.594) 9.922 7.017 ( -5.920 -0.274 2.526) 6.442 7.862 ( 4.621 -2.632 -1.890) 5.644 8.158 ( -3.709 -3.307 4.140) 6.468 8.621 ( -0.384 4.731 -7.052) 8.501 9.341 ( 1.788 -5.931 0.464) 6.212 9.536 ( -0.412 3.189 2.265) 3.933 9.979 ( -6.678 4.987 4.905) 9.671 10.395 ( -5.415 -6.750 3.254) 9.245 10.822 ( 14.047 5.620 -7.519) 16.895 11.589 ( 0.722 4.068 -3.104) 5.168 11.784 ( -3.390 1.685 -1.844) 4.211 12.039 ( -2.458 -6.360 0.665) 6.851 12.590 ( -3.598 6.694 9.271) 11.988 12.900 ( -3.438 3.578 5.943) 7.743 13.430 ( 10.813 14.378 -2.120) 18.114 13.869 ( 8.715 8.969 6.516) 14.102 14.602 ( 1.546 -3.136 1.862) 3.962 14.833 ( 0.326 -4.567 -4.145) 6.176 15.331 ( -1.810 -3.538 -3.834) 5.522 15.824 ( -2.080 -8.285 3.945) 9.409 16.365 ( -4.127 -0.395 -5.618) 6.983 16.536 ( -3.463 2.664 -6.255) 7.630 ======================= Grid point 428 (211/300) ======================= q-point: (-0.27 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 8.131 18.397 5.052) 20.738 3.050 ( 1.088 9.241 16.605) 19.034 3.369 ( 1.871 6.313 -1.300) 6.711 3.874 ( -5.097 -4.421 1.710) 6.960 4.092 ( 4.178 26.648 0.612) 26.980 4.338 ( 0.869 -13.633 -5.504) 14.728 4.694 ( 6.413 6.638 -2.274) 9.506 5.068 ( -3.412 -8.940 6.473) 11.553 5.535 ( -3.716 7.010 4.433) 9.088 5.842 ( -1.733 -18.867 -3.725) 19.309 6.017 ( 3.640 -1.467 -4.202) 5.749 6.206 ( -5.035 -12.754 -0.331) 13.716 6.525 ( 0.339 -5.396 -12.053) 13.210 6.937 ( -4.178 0.874 0.183) 4.272 7.058 ( 5.798 -3.390 6.852) 9.595 7.960 ( 4.156 -2.222 -3.955) 6.152 8.181 ( 1.785 -1.743 4.024) 4.734 8.488 ( -4.878 4.171 -6.139) 8.881 9.376 ( -3.177 -0.673 1.461) 3.561 9.528 ( 0.251 -2.154 0.459) 2.217 9.862 ( -5.654 4.478 4.857) 8.696 10.400 ( -1.516 -3.883 0.944) 4.274 10.948 ( 10.848 3.067 -6.118) 12.826 11.502 ( -3.389 1.411 -1.326) 3.904 11.695 ( -2.255 2.699 0.293) 3.530 12.190 ( 11.877 -0.540 0.915) 11.924 12.485 ( -7.931 5.037 7.975) 12.323 12.817 ( -5.334 4.052 2.690) 7.218 13.455 ( 12.608 18.748 -4.813) 23.100 13.921 ( 7.826 12.561 0.514) 14.808 14.612 ( -1.483 -0.106 -1.653) 2.223 14.880 ( -0.462 -7.388 0.467) 7.417 15.326 ( -1.531 -5.153 -2.769) 6.047 15.899 ( -4.676 -12.341 6.101) 14.539 16.277 ( -2.758 -0.000 -5.678) 6.312 16.453 ( 0.017 2.990 -2.182) 3.702 ======================= Grid point 429 (212/300) ======================= q-point: (-0.18 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 8.693 19.702 3.150) 21.764 3.125 ( 4.782 4.760 14.455) 15.952 3.396 ( 6.993 2.936 -0.083) 7.585 3.761 ( -7.911 1.218 1.213) 8.096 4.058 ( 14.174 17.956 -0.577) 22.883 4.421 ( -0.617 -11.454 -7.557) 13.736 4.715 ( 7.012 10.433 -1.759) 12.693 5.100 ( -8.200 -13.049 2.219) 15.571 5.433 ( -6.685 2.594 5.069) 8.782 5.951 ( -2.772 -15.457 -4.516) 16.340 6.015 ( -4.158 -3.957 -4.757) 7.455 6.231 ( -4.047 -11.759 -1.411) 12.516 6.506 ( -1.397 -3.902 -7.628) 8.681 6.874 ( -1.533 1.016 -2.114) 2.802 7.201 ( 4.938 -0.008 7.227) 8.752 7.890 ( -8.137 4.944 -5.268) 10.881 8.265 ( -0.972 -0.466 2.151) 2.405 8.428 ( 6.532 -2.727 -1.471) 7.229 9.323 ( -2.250 1.267 2.190) 3.386 9.558 ( -0.941 -4.190 -1.537) 4.561 9.762 ( -4.030 4.208 2.870) 6.495 10.417 ( 0.298 -0.511 0.025) 0.592 11.035 ( 4.630 1.121 -2.704) 5.478 11.479 ( -0.641 -5.711 -1.090) 5.849 11.692 ( 5.303 6.027 3.385) 8.712 12.315 ( -1.866 9.287 6.095) 11.264 12.435 ( 11.792 2.602 -0.789) 12.102 12.657 ( -12.127 1.295 0.325) 12.200 13.416 ( 9.449 19.689 -8.080) 23.285 13.920 ( 8.180 12.129 -2.944) 14.923 14.561 ( -3.667 -0.343 -1.370) 3.929 14.952 ( -0.693 -7.009 4.067) 8.133 15.338 ( -0.667 -4.288 -3.272) 5.435 15.958 ( -8.047 -14.273 6.257) 17.539 16.224 ( -0.043 0.395 -3.511) 3.533 16.449 ( 3.442 2.976 -0.500) 4.577 ======================= Grid point 430 (213/300) ======================= q-point: (-0.09 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 11.130 14.085 1.945) 18.057 3.245 ( 4.031 2.099 10.877) 11.789 3.505 ( 6.879 0.843 -1.641) 7.122 3.667 ( -4.301 -2.372 2.582) 5.549 4.176 ( 20.534 14.975 -2.262) 25.515 4.441 ( -2.921 -7.766 -8.417) 11.819 4.701 ( 5.633 11.547 -1.560) 12.942 5.061 ( -11.585 -9.888 -1.151) 15.275 5.337 ( -6.636 -1.934 4.589) 8.296 5.912 ( -3.654 -0.764 -10.041) 10.713 5.999 ( -9.279 -16.401 -1.639) 18.916 6.257 ( -5.334 -9.668 -1.626) 11.161 6.494 ( -0.673 -4.448 -1.286) 4.679 6.841 ( 0.526 0.840 -4.728) 4.831 7.297 ( 3.674 3.427 5.948) 7.787 7.615 ( -12.144 6.964 -4.211) 14.619 8.228 ( -3.539 -1.805 0.416) 3.994 8.623 ( 9.409 -3.148 3.214) 10.430 9.323 ( 1.705 0.290 1.013) 2.005 9.538 ( -3.611 -0.505 -0.571) 3.691 9.704 ( 0.423 2.611 -0.351) 2.668 10.419 ( 0.503 0.594 -0.054) 0.781 11.039 ( -1.959 1.972 2.342) 3.635 11.561 ( 2.844 -6.739 -1.949) 7.569 11.766 ( 7.262 4.258 1.822) 8.613 12.198 ( -1.409 14.606 1.874) 14.793 12.383 ( -13.231 -0.393 0.555) 13.249 12.693 ( 13.889 -2.191 0.832) 14.086 13.317 ( 6.160 16.266 -9.487) 19.813 13.943 ( 8.640 9.425 -1.698) 12.898 14.481 ( -5.657 0.003 -0.929) 5.733 15.032 ( -1.790 -6.721 6.944) 9.828 15.343 ( 0.751 -1.493 -4.563) 4.860 15.966 ( -10.143 -11.954 4.450) 16.297 16.226 ( 2.261 -0.338 -2.398) 3.313 16.491 ( 5.303 3.043 -0.666) 6.150 ======================= Grid point 436 (214/300) ======================= q-point: (-0.55 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 1.121 -0.000 3.616) 3.785 3.269 ( -1.199 0.000 9.402) 9.478 3.588 ( -3.383 0.000 10.212) 10.758 3.799 ( -1.732 0.000 -3.198) 3.637 3.896 ( 1.516 -0.000 -0.743) 1.688 4.513 ( 3.773 -0.000 -1.500) 4.061 4.713 ( 6.283 -0.000 11.521) 13.123 4.964 ( -2.324 0.000 1.519) 2.776 5.355 ( 14.120 -0.000 -8.996) 16.742 5.803 ( 6.899 -0.000 -1.919) 7.161 5.805 ( 4.860 -0.000 -2.761) 5.590 6.140 ( -13.338 0.000 0.864) 13.366 6.502 ( -6.038 0.000 -11.865) 13.313 6.688 ( 6.863 -0.000 1.143) 6.957 7.075 ( -5.635 0.000 5.325) 7.753 7.803 ( -0.118 0.000 -0.148) 0.189 8.117 ( -5.403 0.000 7.453) 9.205 8.687 ( 6.072 -0.000 -7.514) 9.660 9.212 ( 0.697 -0.000 0.425) 0.816 9.565 ( 1.839 -0.000 1.834) 2.597 10.212 ( -4.411 0.000 0.319) 4.422 10.271 ( -5.962 0.000 6.347) 8.708 10.740 ( 13.538 -0.000 -5.126) 14.476 11.436 ( 16.379 -0.000 -3.199) 16.689 11.935 ( -8.701 0.000 0.375) 8.709 12.150 ( -18.707 0.000 -3.200) 18.978 12.782 ( 2.927 -0.000 11.346) 11.718 12.837 ( -1.573 0.000 9.300) 9.432 13.540 ( 1.375 -0.000 -2.532) 2.882 13.818 ( 11.001 -0.000 9.260) 14.379 14.401 ( 1.956 -0.000 8.688) 8.905 14.817 ( 3.263 -0.000 -8.905) 9.484 15.320 ( -0.155 0.000 -5.005) 5.008 15.748 ( -2.891 0.000 0.813) 3.004 16.468 ( -5.052 0.000 -6.304) 8.079 16.669 ( -2.668 0.000 -6.512) 7.037 ======================= Grid point 438 (215/300) ======================= q-point: (-0.45 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 4.412 4.994 2.671) 7.179 3.286 ( 1.414 8.430 10.469) 13.515 3.577 ( -2.677 3.992 5.941) 7.642 3.760 ( -1.514 -1.957 -0.004) 2.474 3.969 ( 2.130 -9.015 -1.573) 9.395 4.545 ( -2.102 -1.776 -0.049) 2.753 4.797 ( 2.602 10.215 4.636) 11.516 4.945 ( -0.361 -1.138 5.380) 5.511 5.476 ( 2.742 -6.041 -9.880) 11.901 5.851 ( -4.685 5.068 2.840) 7.463 5.909 ( 1.269 -4.617 2.380) 5.347 5.987 ( 9.059 3.872 -4.210) 10.714 6.385 ( -3.566 -7.925 -13.629) 16.164 6.829 ( 7.378 -1.161 4.512) 8.725 7.017 ( -4.188 0.086 2.768) 5.021 7.831 ( 3.945 -0.721 -1.710) 4.360 8.101 ( -2.958 -2.023 7.038) 7.898 8.680 ( -0.744 1.589 -7.934) 8.126 9.255 ( 2.420 -2.550 -0.062) 3.516 9.586 ( -0.085 1.557 2.218) 2.712 10.096 ( -6.103 7.237 4.686) 10.563 10.246 ( -5.545 -8.357 4.100) 10.835 10.915 ( 13.259 3.214 -7.944) 15.787 11.650 ( 6.178 1.935 -5.623) 8.575 11.801 ( -6.342 0.237 0.229) 6.351 11.897 ( -6.422 -5.329 -0.027) 8.345 12.762 ( -3.992 9.236 11.631) 15.379 12.901 ( -3.323 -3.692 9.008) 10.287 13.617 ( 12.010 5.091 -2.454) 13.273 14.017 ( 9.882 5.521 9.334) 14.671 14.517 ( 3.633 -4.148 5.847) 8.037 14.789 ( -0.407 -0.601 -9.626) 9.653 15.264 ( -4.137 -2.541 -5.876) 7.623 15.720 ( -2.965 -2.575 2.803) 4.825 16.363 ( -3.423 0.050 -4.966) 6.031 16.573 ( -3.390 1.084 -6.155) 7.111 ======================= Grid point 439 (216/300) ======================= q-point: (-0.36 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 8.372 7.909 2.512) 11.788 3.273 ( 2.025 12.392 9.782) 15.917 3.503 ( -0.557 7.430 1.153) 7.539 3.779 ( -3.406 -5.311 3.251) 7.098 4.090 ( 1.747 -11.522 -2.968) 12.026 4.428 ( -6.918 7.359 -0.161) 10.101 4.783 ( 5.112 5.115 0.168) 7.233 4.978 ( -3.453 -1.688 6.752) 7.769 5.492 ( -8.016 -14.800 -0.700) 16.846 5.686 ( -3.764 6.113 -5.142) 8.831 6.016 ( 5.026 0.138 0.298) 5.036 6.080 ( 5.082 0.825 -5.071) 7.226 6.392 ( 2.254 -8.842 -10.586) 13.976 6.936 ( -1.840 -0.881 0.117) 2.043 7.026 ( 6.358 -0.195 7.009) 9.464 7.921 ( 6.336 -1.565 -2.443) 6.968 8.138 ( 0.513 -2.388 6.295) 6.752 8.550 ( -7.170 2.245 -7.255) 10.444 9.319 ( 1.700 -3.470 -0.962) 3.982 9.552 ( -2.851 2.683 1.990) 4.392 9.953 ( -7.315 5.078 5.435) 10.433 10.292 ( 0.072 -6.787 1.824) 7.029 11.016 ( 8.556 3.763 -7.057) 11.712 11.505 ( -11.008 -1.466 -4.526) 11.992 11.727 ( -1.334 1.309 2.851) 3.409 12.098 ( 14.270 -5.664 0.015) 15.353 12.647 ( -6.316 10.081 11.569) 16.594 12.893 ( -3.772 1.748 5.853) 7.179 13.739 ( 12.951 11.045 -5.520) 17.894 14.139 ( 8.400 9.485 4.869) 13.573 14.599 ( -0.805 -0.912 -1.600) 2.010 14.754 ( -0.365 -5.522 -2.159) 5.940 15.192 ( -5.689 -7.832 -5.600) 11.183 15.727 ( -3.717 -5.341 4.630) 7.986 16.299 ( -0.934 1.526 -3.254) 3.713 16.493 ( -0.920 1.299 -3.486) 3.833 ======================= Grid point 440 (217/300) ======================= q-point: (-0.27 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 9.487 13.819 -0.699) 16.776 3.245 ( 2.765 9.413 9.324) 13.534 3.476 ( 4.050 5.304 2.419) 7.099 3.733 ( -8.930 -2.488 2.465) 9.593 4.199 ( 0.737 -11.114 -5.189) 12.288 4.302 ( 1.552 5.670 0.004) 5.879 4.848 ( 3.353 -1.938 0.797) 3.954 4.929 ( -5.756 0.535 2.919) 6.476 5.460 ( -11.904 -7.650 4.813) 14.946 5.600 ( -1.849 -7.898 -8.729) 11.916 5.991 ( -3.432 -1.038 -8.393) 9.127 6.163 ( 7.511 2.322 -1.207) 7.953 6.440 ( 1.417 -3.346 -6.366) 7.330 6.893 ( -1.048 0.697 -3.078) 3.325 7.194 ( 6.793 -0.581 8.477) 10.878 7.959 ( -2.146 2.614 -3.491) 4.860 8.236 ( 1.112 -2.486 5.155) 5.830 8.387 ( -2.158 -1.312 -4.008) 4.737 9.345 ( -0.375 0.295 0.435) 0.646 9.499 ( -2.046 -1.205 -0.482) 2.423 9.832 ( -5.356 3.201 3.118) 6.975 10.377 ( 2.458 -3.609 0.874) 4.453 11.058 ( 3.708 1.405 -3.891) 5.556 11.357 ( -8.355 -6.698 -3.139) 11.159 11.768 ( 5.376 2.558 4.966) 7.753 12.377 ( 13.018 -4.267 0.855) 13.726 12.512 ( -4.717 11.176 9.486) 15.399 12.798 ( -5.578 7.970 2.292) 9.994 13.736 ( 6.759 14.039 -10.763) 18.937 14.164 ( 7.254 12.534 -2.346) 14.671 14.529 ( -5.924 -2.659 -2.458) 6.943 14.832 ( 0.593 -5.308 4.073) 6.718 15.188 ( -2.150 -11.441 -4.788) 12.588 15.744 ( -5.002 -7.163 5.397) 10.269 16.265 ( 0.942 3.054 -0.903) 3.321 16.486 ( 2.551 0.906 -1.064) 2.909 ======================= Grid point 441 (218/300) ======================= q-point: (-0.18 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 5.402 15.700 -0.458) 16.610 3.307 ( 4.644 4.370 6.492) 9.100 3.538 ( 3.239 2.896 1.829) 4.714 3.622 ( -4.888 -2.411 2.098) 5.840 4.254 ( -0.517 -7.848 -5.926) 9.848 4.366 ( 8.395 0.376 -1.516) 8.539 4.820 ( -9.360 -5.828 0.642) 11.045 4.945 ( 7.447 4.329 0.499) 8.628 5.330 ( -9.664 -0.387 1.494) 9.787 5.628 ( -7.442 -18.870 -3.713) 20.622 5.881 ( -4.061 -1.518 -11.034) 11.855 6.215 ( 2.432 3.704 -2.478) 5.077 6.449 ( 1.321 -0.735 -1.062) 1.847 6.862 ( 1.002 0.924 -5.487) 5.653 7.338 ( 5.437 1.015 6.597) 8.608 7.748 ( -13.241 6.808 -2.737) 15.138 8.200 ( -4.028 -0.757 0.309) 4.110 8.539 ( 9.154 -5.573 3.667) 11.327 9.337 ( 0.950 1.356 1.199) 2.044 9.496 ( -1.056 -3.420 -2.083) 4.142 9.759 ( -1.223 2.682 0.280) 2.961 10.429 ( 1.558 0.186 0.230) 1.586 11.065 ( -0.600 0.718 0.062) 0.938 11.346 ( -2.267 -13.080 -1.806) 13.397 11.871 ( 6.324 4.746 4.084) 8.899 12.389 ( -2.282 8.814 6.499) 11.186 12.521 ( -8.820 8.122 0.331) 11.994 12.679 ( 11.150 3.206 0.732) 11.625 13.597 ( 0.910 12.906 -12.552) 18.026 14.149 ( 8.342 11.603 -5.211) 15.211 14.446 ( -7.409 -3.718 0.151) 8.291 14.900 ( -2.909 -6.800 6.904) 10.117 15.263 ( 3.256 -7.366 -5.851) 9.955 15.758 ( -5.740 -8.125 4.741) 11.020 16.260 ( 1.923 3.171 1.048) 3.854 16.533 ( 4.535 1.162 -0.735) 4.739 ======================= Grid point 442 (219/300) ======================= q-point: (-0.09 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 1.618 8.274 1.686) 8.597 3.324 ( -4.072 1.542 5.368) 6.912 3.524 ( 2.963 0.200 -5.245) 6.027 3.677 ( 2.062 -2.115 2.871) 4.119 4.260 ( -1.671 -4.761 -5.445) 7.423 4.523 ( 10.104 -1.261 -1.591) 10.306 4.739 ( -4.927 -1.142 -1.443) 5.260 5.016 ( 7.201 7.484 1.831) 10.546 5.204 ( -7.606 -3.999 0.843) 8.634 5.644 ( -8.083 -14.363 -3.701) 16.892 5.792 ( -2.454 -5.332 -8.683) 10.481 6.147 ( -3.769 2.069 -5.666) 7.113 6.484 ( 0.178 -0.312 3.014) 3.035 6.843 ( 2.847 0.842 -7.556) 8.118 7.402 ( -1.228 5.507 5.187) 7.664 7.481 ( -6.297 3.740 -2.264) 7.666 8.154 ( -3.345 -1.343 1.908) 4.079 8.747 ( 6.728 -4.198 5.760) 9.801 9.370 ( 2.879 -0.504 -1.031) 3.099 9.487 ( -1.278 -0.316 -1.148) 1.747 9.744 ( 2.496 2.051 -2.237) 3.929 10.439 ( 0.988 1.673 0.144) 1.948 11.030 ( -3.676 1.562 4.459) 5.986 11.492 ( 3.649 -15.849 -1.731) 16.355 11.866 ( -1.166 6.848 -2.186) 7.282 12.171 ( -14.753 14.894 -1.842) 21.045 12.394 ( 6.019 5.715 7.179) 10.974 12.905 ( 11.575 -3.020 2.673) 12.257 13.410 ( -1.770 9.680 -10.668) 14.513 14.160 ( 6.737 8.974 -2.962) 11.606 14.354 ( -6.983 -2.006 0.974) 7.330 14.938 ( -6.060 -8.088 5.978) 11.742 15.355 ( 6.604 -1.574 -5.166) 8.531 15.756 ( -6.239 -7.190 2.858) 9.940 16.281 ( 3.136 1.853 0.992) 3.775 16.594 ( 5.147 1.514 -1.527) 5.578 ======================= Grid point 449 (220/300) ======================= q-point: ( 0.55 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 8.419 -0.000 -0.388) 8.428 3.413 ( 2.818 -0.000 6.782) 7.344 3.601 ( -2.834 0.000 8.748) 9.195 3.707 ( -2.270 0.000 -1.566) 2.758 3.956 ( 2.796 -0.000 -1.093) 3.002 4.472 ( -6.370 0.000 -0.428) 6.385 4.871 ( -5.963 0.000 6.377) 8.730 4.943 ( 1.280 -0.000 1.880) 2.274 5.341 ( -10.046 0.000 0.252) 10.049 5.734 ( -2.811 0.000 -10.504) 10.874 6.032 ( 7.728 -0.000 2.878) 8.246 6.198 ( -2.225 0.000 -15.829) 15.985 6.205 ( 11.952 -0.000 0.039) 11.952 6.924 ( 0.179 -0.000 0.910) 0.928 7.028 ( 5.108 -0.000 5.937) 7.832 7.906 ( 6.751 -0.000 -1.895) 7.012 8.111 ( 0.122 -0.000 7.525) 7.526 8.571 ( -7.779 0.000 -7.662) 10.919 9.283 ( 2.979 -0.000 -1.555) 3.360 9.582 ( -3.090 0.000 1.978) 3.669 10.024 ( -11.361 0.000 6.702) 13.191 10.200 ( 3.750 -0.000 1.118) 3.913 11.060 ( 7.748 -0.000 -7.735) 10.948 11.478 ( -14.681 0.000 -4.680) 15.409 11.743 ( -1.142 0.000 3.277) 3.470 12.040 ( 16.834 -0.000 -0.109) 16.835 12.776 ( -8.260 0.000 13.467) 15.799 12.884 ( -1.334 0.000 6.618) 6.751 13.850 ( 13.835 -0.000 -5.894) 15.039 14.239 ( 7.805 -0.000 7.168) 10.597 14.587 ( 2.291 -0.000 0.618) 2.373 14.697 ( -1.876 0.000 -6.184) 6.462 15.102 ( -8.818 0.000 -6.857) 11.170 15.681 ( -2.788 0.000 4.257) 5.089 16.316 ( -0.160 0.000 -2.115) 2.121 16.505 ( -1.514 0.000 -4.335) 4.592 ======================= Grid point 451 (221/300) ======================= q-point: (-0.36 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 10.185 3.455 -2.650) 11.077 3.449 ( 2.503 7.313 2.876) 8.247 3.575 ( -0.854 3.948 5.976) 7.213 3.690 ( -3.768 -1.634 3.434) 5.353 4.025 ( 2.595 -5.949 -2.636) 7.005 4.336 ( -7.765 0.286 -0.624) 7.796 4.759 ( -10.624 -3.665 4.373) 12.060 4.984 ( 2.031 1.546 3.154) 4.057 5.225 ( -9.942 -8.330 3.809) 13.518 5.614 ( -2.708 1.733 -14.790) 15.136 6.026 ( -2.197 2.816 -12.043) 12.562 6.214 ( 9.841 2.014 0.692) 10.068 6.380 ( 6.487 -2.503 -2.590) 7.419 6.899 ( -0.979 0.030 -3.428) 3.565 7.186 ( 7.343 -0.225 8.316) 11.096 7.996 ( 2.976 1.159 -1.434) 3.501 8.187 ( 2.748 -1.936 7.080) 7.838 8.376 ( -8.628 -0.150 -5.650) 10.315 9.330 ( 3.323 -1.017 -2.509) 4.286 9.510 ( -5.619 1.142 1.466) 5.918 9.880 ( -7.677 1.599 3.589) 8.624 10.305 ( 5.362 -2.835 1.249) 6.193 11.088 ( 1.782 1.515 -4.967) 5.490 11.251 ( -11.614 -3.712 -3.464) 12.676 11.801 ( 5.220 0.884 5.613) 7.716 12.320 ( 15.207 -1.532 0.902) 15.311 12.695 ( -5.933 6.508 11.650) 14.604 12.886 ( -2.619 1.444 5.023) 5.846 13.934 ( 5.705 6.065 -13.392) 15.770 14.349 ( 6.126 5.695 0.377) 8.373 14.483 ( -8.122 -1.583 -5.745) 10.073 14.778 ( 5.025 0.378 4.257) 6.596 14.963 ( -6.317 -9.984 -4.469) 12.632 15.671 ( -2.617 -1.460 4.763) 5.627 16.318 ( 1.674 1.931 0.288) 2.572 16.488 ( 1.619 -0.325 -1.920) 2.532 ======================= Grid point 452 (222/300) ======================= q-point: (-0.27 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( 4.624 8.152 -4.407) 10.357 3.413 ( 3.063 7.884 2.695) 8.877 3.571 ( -8.295 -2.223 2.277) 8.884 3.628 ( 2.255 5.839 5.880) 8.588 4.103 ( 1.747 -6.920 -4.520) 8.449 4.292 ( 0.352 -6.052 -0.438) 6.078 4.673 ( -9.187 -7.723 4.628) 12.863 5.019 ( 2.713 1.945 2.398) 4.110 5.208 ( -6.624 -11.092 3.663) 13.428 5.448 ( -6.350 -0.440 -13.769) 15.169 5.894 ( -2.092 1.944 -13.516) 13.814 6.324 ( 5.926 6.419 -0.321) 8.743 6.450 ( 3.852 0.190 -0.538) 3.894 6.867 ( 0.166 -0.382 -5.962) 5.977 7.344 ( 6.284 -0.087 6.579) 9.098 7.861 ( -13.627 4.663 -0.564) 14.413 8.212 ( -0.853 2.372 1.197) 2.791 8.421 ( 7.760 -6.647 2.888) 10.618 9.367 ( 1.058 1.088 -0.173) 1.527 9.433 ( -2.625 -2.456 -1.812) 4.026 9.797 ( -2.178 1.362 0.579) 2.633 10.417 ( 4.570 -1.445 0.726) 4.848 11.070 ( -0.814 -0.050 -1.237) 1.482 11.138 ( -6.181 -7.815 -2.231) 10.210 11.932 ( 7.200 1.935 5.717) 9.396 12.535 ( 5.964 1.716 2.813) 6.813 12.601 ( -2.243 7.101 7.150) 10.324 12.817 ( -2.258 7.042 2.771) 7.897 13.795 ( -2.252 7.766 -16.927) 18.759 14.348 ( 4.428 6.126 -7.780) 10.848 14.360 ( -7.267 -2.106 0.063) 7.566 14.790 ( -5.419 -4.402 5.596) 8.948 15.089 ( 7.768 -9.318 -1.959) 12.289 15.670 ( -2.720 -1.972 4.334) 5.483 16.328 ( 1.944 3.596 2.009) 4.555 16.534 ( 3.771 -0.846 -0.947) 3.979 ======================= Grid point 453 (223/300) ======================= q-point: (-0.18 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -9.571 8.179 3.090) 12.963 3.372 ( -5.948 3.567 3.053) 7.578 3.526 ( 6.299 0.097 -6.793) 9.265 3.659 ( -1.171 0.011 3.768) 3.946 4.166 ( 2.569 -4.880 -4.728) 7.264 4.426 ( 6.964 -7.113 -0.299) 9.959 4.673 ( -1.691 -5.839 4.041) 7.300 5.062 ( -0.699 -2.616 3.721) 4.602 5.176 ( -6.119 0.582 -5.308) 8.121 5.348 ( -3.186 -12.964 -3.510) 13.803 5.775 ( -1.406 1.162 -12.368) 12.502 6.265 ( -1.412 8.767 -3.696) 9.619 6.512 ( 2.796 2.802 2.427) 4.644 6.843 ( 1.282 -1.129 -7.801) 7.986 7.456 ( 4.465 0.807 2.471) 5.166 7.581 ( -12.799 5.709 2.650) 14.263 8.174 ( -0.946 3.926 0.991) 4.158 8.638 ( 6.858 -7.167 5.270) 11.232 9.354 ( -0.518 -0.884 -0.736) 1.262 9.450 ( 0.951 -3.209 -2.245) 4.030 9.782 ( 2.234 1.872 -1.823) 3.437 10.481 ( 3.352 2.038 0.193) 3.928 11.029 ( -4.353 -1.312 2.434) 5.158 11.203 ( 2.545 -12.464 -1.496) 12.809 11.995 ( 0.190 5.605 1.133) 5.721 12.451 ( -8.063 13.225 0.889) 15.515 12.525 ( 0.883 7.375 3.972) 8.424 12.858 ( 7.069 -1.066 3.955) 8.170 13.573 ( -5.334 6.865 -12.881) 15.541 14.253 ( -10.010 -3.250 2.607) 10.842 14.348 ( 8.515 5.316 -9.281) 13.672 14.788 ( -6.144 -6.909 7.123) 11.671 15.289 ( 9.783 -4.969 -3.563) 11.536 15.665 ( -3.265 -2.377 3.432) 5.300 16.337 ( 1.768 3.613 2.535) 4.754 16.602 ( 4.343 -0.678 -1.855) 4.771 ======================= Grid point 454 (224/300) ======================= q-point: (-0.09 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -16.365 0.013 8.019) 18.225 3.225 ( -11.312 -0.879 -0.029) 11.346 3.607 ( 8.271 2.479 -7.476) 11.421 3.652 ( -0.557 -1.876 1.112) 2.251 4.226 ( 3.285 -1.829 -4.376) 5.770 4.565 ( 1.676 -1.602 0.580) 2.390 4.749 ( 4.157 -0.927 1.816) 4.630 5.031 ( -6.557 -6.312 1.987) 9.315 5.094 ( -5.606 -6.990 -1.163) 9.036 5.487 ( 7.791 -7.587 -2.050) 11.066 5.702 ( 0.591 -1.560 -8.661) 8.820 6.097 ( -5.533 9.488 -3.047) 11.398 6.481 ( -1.906 3.183 -2.797) 4.646 6.878 ( 6.032 -1.382 -4.167) 7.461 7.395 ( -5.202 6.200 2.134) 8.369 7.498 ( 2.094 2.566 -1.014) 3.463 8.136 ( -0.870 2.212 3.270) 4.043 8.824 ( 4.004 -5.769 6.236) 9.391 9.368 ( 0.792 -2.858 -1.946) 3.547 9.471 ( -0.107 -1.810 -2.177) 2.833 9.806 ( 5.082 2.574 -3.923) 6.917 10.490 ( 1.255 4.380 0.316) 4.567 10.988 ( -5.469 -1.095 6.158) 8.308 11.414 ( 7.770 -15.596 -1.900) 17.528 11.854 ( -6.057 7.417 -4.682) 10.659 12.113 ( -10.892 19.417 -1.708) 22.329 12.590 ( 6.673 3.262 5.239) 9.089 13.015 ( 4.122 -5.839 4.442) 8.415 13.357 ( -6.174 5.522 -8.315) 11.737 14.114 ( -11.662 -1.103 3.130) 12.125 14.416 ( 9.868 4.575 -4.764) 11.874 14.785 ( -6.241 -6.264 4.507) 9.925 15.459 ( 9.837 -0.882 -3.630) 10.523 15.647 ( -3.808 -2.946 2.453) 5.403 16.354 ( 2.395 1.663 1.575) 3.314 16.662 ( 4.005 -0.525 -3.489) 5.337 ======================= Grid point 462 (225/300) ======================= q-point: (-0.36 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( 8.218 -0.000 -8.193) 11.604 3.512 ( 1.070 -0.000 0.479) 1.172 3.539 ( -9.060 0.000 6.912) 11.396 3.711 ( -1.302 0.000 5.413) 5.567 4.029 ( 3.225 -0.000 -3.366) 4.661 4.223 ( -2.302 0.000 -0.541) 2.365 4.579 ( -9.365 0.000 5.838) 11.035 5.061 ( 3.679 -0.000 3.697) 5.216 5.063 ( -7.419 0.000 3.181) 8.073 5.456 ( -6.680 0.000 -16.581) 17.875 5.917 ( -2.485 0.000 -14.558) 14.769 6.407 ( 10.088 -0.000 3.889) 10.812 6.441 ( 2.724 -0.000 -3.075) 4.108 6.860 ( -0.626 0.000 -6.301) 6.332 7.342 ( 6.483 -0.000 6.432) 9.132 7.907 ( -14.462 0.000 0.451) 14.469 8.276 ( 4.336 -0.000 6.621) 7.915 8.316 ( 4.662 -0.000 -2.373) 5.231 9.367 ( 3.258 -0.000 -3.461) 4.753 9.419 ( -6.132 0.000 0.939) 6.204 9.810 ( -2.549 0.000 0.705) 2.645 10.397 ( 6.030 -0.000 0.910) 6.098 11.064 ( -6.331 0.000 -2.290) 6.733 11.070 ( -1.876 0.000 -1.740) 2.558 11.950 ( 7.438 -0.000 6.082) 9.608 12.537 ( 9.819 -0.000 2.346) 10.095 12.694 ( -5.191 0.000 8.655) 10.092 12.884 ( -2.134 0.000 4.545) 5.021 13.872 ( -3.829 0.000 -20.025) 20.388 14.306 ( -9.989 0.000 1.160) 10.056 14.442 ( 5.075 -0.000 -9.934) 11.155 14.748 ( -7.920 0.000 3.143) 8.521 14.984 ( 11.883 -0.000 2.804) 12.209 15.655 ( -1.802 0.000 3.850) 4.251 16.370 ( 2.028 -0.000 2.397) 3.140 16.519 ( 3.396 -0.000 -1.240) 3.615 ======================= Grid point 463 (226/300) ======================= q-point: (-0.27 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( -17.903 2.855 5.598) 18.974 3.443 ( -5.823 2.652 -0.970) 6.471 3.534 ( 5.326 0.823 -6.375) 8.348 3.666 ( -2.782 0.385 3.500) 4.488 4.092 ( 5.378 -2.404 -3.778) 6.998 4.318 ( 9.858 -3.225 0.234) 10.375 4.552 ( -1.644 -4.984 6.648) 8.469 4.994 ( -4.864 -2.640 3.312) 6.450 5.172 ( 5.255 -1.738 1.623) 5.768 5.218 ( -10.477 -1.147 -13.299) 16.969 5.796 ( -1.903 0.725 -13.202) 13.358 6.404 ( -1.825 4.361 -3.375) 5.808 6.574 ( 7.473 2.956 4.066) 9.007 6.804 ( -1.377 -2.190 -8.923) 9.290 7.460 ( 4.595 -0.093 1.340) 4.788 7.658 ( -13.729 2.085 5.476) 14.928 8.302 ( 3.062 8.976 1.594) 9.617 8.481 ( 5.868 -9.209 3.457) 11.453 9.344 ( -2.921 -0.079 -0.331) 2.940 9.390 ( 0.512 -2.331 -3.048) 3.871 9.809 ( 2.893 0.838 -1.555) 3.390 10.497 ( 5.246 -0.147 0.501) 5.272 11.006 ( -2.552 -0.217 -0.146) 2.565 11.051 ( 0.569 -4.248 -0.120) 4.288 12.065 ( 2.474 1.769 3.035) 4.296 12.615 ( -1.362 3.386 1.547) 3.964 12.638 ( -2.402 3.924 3.925) 6.048 12.878 ( 0.503 2.190 5.151) 5.620 13.654 ( -7.488 1.759 -16.387) 18.102 14.173 ( -10.753 -2.949 6.459) 12.886 14.434 ( 7.097 2.378 -17.966) 19.463 14.701 ( -4.741 -2.067 10.025) 11.281 15.205 ( 11.645 -2.865 0.120) 11.993 15.646 ( -1.795 -0.194 2.316) 2.937 16.400 ( 1.076 2.401 3.131) 4.090 16.578 ( 3.863 -1.313 -2.249) 4.659 ======================= Grid point 464 (227/300) ======================= q-point: (-0.18 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( -22.670 0.829 7.842) 24.003 3.221 ( -17.779 0.293 1.845) 17.876 3.606 ( 5.884 -1.001 -2.569) 6.498 3.680 ( 5.587 2.749 -4.361) 7.602 4.191 ( 6.173 -1.723 -3.762) 7.431 4.517 ( 7.699 -2.883 0.657) 8.247 4.658 ( 1.262 -7.549 6.417) 9.988 4.934 ( -13.706 -2.807 -6.515) 15.433 4.970 ( -4.910 -4.227 0.930) 6.546 5.377 ( 12.844 -3.838 0.621) 13.419 5.701 ( -0.609 0.503 -9.992) 10.023 6.270 ( -5.294 6.839 -2.538) 9.013 6.579 ( 0.257 6.874 -4.079) 7.998 6.831 ( 4.961 -3.774 -2.285) 6.639 7.456 ( -3.957 0.767 -0.847) 4.118 7.567 ( 1.218 3.669 4.129) 5.656 8.249 ( 0.882 9.570 1.487) 9.725 8.678 ( 4.110 -9.547 4.335) 11.262 9.321 ( -0.419 -1.594 -1.169) 2.020 9.400 ( -1.535 -4.741 -2.210) 5.452 9.857 ( 6.270 2.471 -3.593) 7.637 10.560 ( 2.593 1.903 0.342) 3.234 10.961 ( -3.900 -0.076 3.863) 5.490 11.185 ( 7.864 -8.819 -1.340) 11.892 11.985 ( -7.123 5.726 -3.203) 9.684 12.447 ( -7.065 14.064 -1.187) 15.783 12.638 ( 3.179 1.705 1.881) 4.068 12.920 ( -0.231 -3.103 5.488) 6.309 13.432 ( -8.901 1.615 -9.433) 13.070 14.072 ( -10.745 -2.522 9.274) 14.416 14.468 ( 10.608 0.616 -15.798) 19.039 14.710 ( -3.655 -1.314 9.985) 10.714 15.414 ( 11.000 -2.912 -0.975) 11.421 15.623 ( -2.236 -0.092 0.609) 2.319 16.400 ( 0.239 2.749 2.571) 3.771 16.634 ( 3.215 -2.054 -4.479) 5.884 ======================= Grid point 465 (228/300) ======================= q-point: (-0.09 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -21.989 -3.901 12.465) 25.576 2.921 ( -22.114 -3.967 3.769) 22.781 3.696 ( 4.879 0.493 1.426) 5.107 3.737 ( 9.378 3.653 -9.078) 13.554 4.231 ( -1.167 1.178 -4.823) 5.100 4.547 ( -3.956 -2.364 1.128) 4.744 4.691 ( -16.031 -10.653 4.652) 19.802 4.833 ( -2.259 -9.829 -3.104) 10.552 5.007 ( 6.658 -0.500 5.156) 8.436 5.584 ( 5.408 -1.169 -9.918) 11.356 5.736 ( 12.913 -1.765 2.377) 13.248 6.120 ( -0.301 9.564 -2.104) 9.797 6.498 ( 1.996 6.376 -5.777) 8.833 6.954 ( 6.642 -2.561 -0.341) 7.127 7.389 ( -2.225 2.646 0.230) 3.465 7.558 ( 2.332 5.709 -3.129) 6.915 8.198 ( 0.959 5.889 3.242) 6.790 8.830 ( 0.914 -7.978 3.934) 8.942 9.345 ( 0.656 -3.742 -0.818) 3.886 9.400 ( -2.070 -4.211 -2.031) 5.114 9.918 ( 7.739 3.733 -5.721) 10.322 10.541 ( -1.166 4.423 0.281) 4.582 10.919 ( -5.808 -0.283 7.091) 9.170 11.430 ( 10.262 -11.875 -2.442) 15.884 11.764 ( -8.076 5.221 -5.036) 10.856 12.166 ( -4.626 20.516 -1.887) 21.116 12.679 ( 0.221 -1.180 -0.109) 1.206 12.990 ( -1.337 -8.128 4.417) 9.347 13.220 ( -10.051 1.033 -5.490) 11.499 13.956 ( -10.617 1.705 8.969) 14.003 14.572 ( 10.572 -0.880 -11.837) 15.895 14.712 ( -2.773 1.331 9.475) 9.961 15.582 ( -2.840 -0.057 -0.603) 2.904 15.610 ( 10.508 -1.406 0.039) 10.602 16.398 ( 0.480 0.529 1.171) 1.371 16.671 ( 2.641 -2.736 -6.868) 7.850 ======================= Grid point 474 (229/300) ======================= q-point: (-0.27 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -24.924 0.000 6.972) 25.881 3.227 ( -20.549 0.000 3.590) 20.860 3.596 ( 5.924 -0.000 -1.586) 6.132 3.710 ( 7.000 -0.000 -6.030) 9.239 4.171 ( 7.179 -0.000 -2.932) 7.755 4.484 ( 9.701 -0.000 0.579) 9.718 4.570 ( -1.315 0.000 5.890) 6.035 4.913 ( -15.028 0.000 -5.169) 15.892 4.933 ( -2.611 0.000 -0.710) 2.706 5.341 ( 13.763 -0.000 1.087) 13.806 5.707 ( -0.984 0.000 -9.956) 10.004 6.334 ( -5.931 0.000 -2.935) 6.618 6.692 ( -1.451 0.000 -11.218) 11.311 6.754 ( 7.315 -0.000 5.459) 9.128 7.459 ( -3.102 0.000 -2.231) 3.821 7.602 ( 0.343 -0.000 6.621) 6.630 8.453 ( 2.403 -0.000 0.428) 2.440 8.481 ( 3.457 -0.000 3.560) 4.962 9.319 ( -0.109 0.000 -0.425) 0.439 9.334 ( -3.129 0.000 -2.430) 3.962 9.883 ( 6.860 -0.000 -3.482) 7.693 10.568 ( 2.582 -0.000 0.516) 2.633 10.990 ( -3.296 0.000 3.813) 5.040 11.080 ( 8.604 -0.000 -1.992) 8.832 12.043 ( -6.508 0.000 -2.771) 7.073 12.589 ( -4.087 0.000 0.502) 4.118 12.647 ( 0.297 -0.000 -0.536) 0.612 12.903 ( -2.852 0.000 5.930) 6.580 13.435 ( -10.336 0.000 -10.666) 14.853 14.045 ( -9.327 0.000 12.219) 15.373 14.466 ( 9.098 -0.000 -18.232) 20.376 14.707 ( -1.384 0.000 10.172) 10.266 15.382 ( 11.054 -0.000 0.658) 11.074 15.624 ( -1.423 0.000 -0.615) 1.550 16.434 ( -0.680 0.000 3.267) 3.337 16.607 ( 3.042 -0.000 -5.286) 6.099 ======================= Grid point 475 (230/300) ======================= q-point: (-0.18 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -25.015 -1.392 11.959) 27.761 2.879 ( -24.862 -0.834 6.140) 25.622 3.706 ( 6.930 0.418 1.953) 7.212 3.793 ( 9.443 1.755 -9.894) 13.789 4.253 ( 0.626 0.819 -5.126) 5.228 4.399 ( -19.951 -7.107 3.220) 21.422 4.607 ( 1.519 -0.831 1.309) 2.171 4.707 ( -9.784 -3.523 0.084) 10.399 5.007 ( 9.984 0.188 4.262) 10.858 5.566 ( 8.175 -0.593 -8.574) 11.862 5.722 ( 12.520 -0.169 1.801) 12.650 6.239 ( -0.262 2.984 -2.704) 4.035 6.617 ( 2.562 4.650 -8.792) 10.270 6.901 ( 5.604 -2.403 3.932) 7.255 7.406 ( -2.164 0.015 -1.276) 2.512 7.648 ( 3.383 2.629 0.090) 4.285 8.381 ( 0.837 12.588 1.259) 12.678 8.634 ( 1.064 -12.342 1.763) 12.513 9.278 ( -2.789 -2.468 -1.179) 3.906 9.337 ( 0.720 -1.833 -0.129) 1.973 9.975 ( 8.098 1.866 -5.329) 9.872 10.579 ( -1.573 0.057 0.430) 1.632 10.947 ( -3.494 2.560 5.762) 7.209 11.265 ( 10.661 -5.248 -2.028) 12.055 11.852 ( -10.213 3.050 -6.170) 12.316 12.485 ( -1.818 11.485 -1.713) 11.754 12.642 ( -1.551 -2.642 -3.143) 4.389 12.869 ( -5.678 -3.543 4.797) 8.235 13.208 ( -12.761 -1.697 -5.446) 13.977 13.987 ( -7.431 1.178 13.918) 15.822 14.530 ( 7.946 -1.828 -13.001) 15.347 14.755 ( 2.174 1.761 7.608) 8.106 15.548 ( 1.300 -1.414 6.058) 6.355 15.616 ( 7.979 0.428 -6.434) 10.259 16.420 ( -1.853 1.214 2.295) 3.190 16.618 ( 1.915 -2.150 -8.500) 8.974 ======================= Grid point 476 (231/300) ======================= q-point: (-0.09 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -20.309 -4.796 19.075) 28.272 2.523 ( -25.680 -3.692 9.280) 27.554 3.771 ( -6.820 1.401 -0.525) 6.982 3.853 ( 5.707 2.396 -5.636) 8.371 4.016 ( -13.103 -10.176 0.119) 16.591 4.281 ( -16.660 -3.268 0.972) 17.005 4.557 ( 2.023 0.143 4.700) 5.119 4.731 ( 1.011 -6.871 -2.409) 7.350 5.225 ( 13.325 1.717 3.413) 13.862 5.574 ( 2.257 -0.211 -7.289) 7.633 6.044 ( 19.978 1.693 3.524) 20.357 6.252 ( 8.223 5.967 -2.433) 10.448 6.591 ( 5.868 6.509 -5.703) 10.456 7.035 ( 5.952 -3.023 1.503) 6.843 7.364 ( -1.953 0.510 -1.921) 2.787 7.650 ( 4.255 6.866 -4.947) 9.472 8.295 ( 0.119 8.069 2.321) 8.397 8.740 ( -3.036 -10.469 0.884) 10.937 9.274 ( -1.590 -5.038 -0.772) 5.339 9.377 ( 2.047 -1.551 0.816) 2.695 10.043 ( 7.321 3.482 -7.025) 10.727 10.524 ( -4.080 1.110 -0.004) 4.228 10.886 ( -5.736 3.505 7.916) 10.385 11.458 ( 5.531 -6.993 -2.297) 9.207 11.652 ( -5.327 0.705 -4.540) 7.035 12.283 ( -4.755 16.152 -3.071) 17.115 12.628 ( 0.443 -0.448 -2.258) 2.344 12.857 ( -8.029 -9.891 1.364) 12.812 12.996 ( -11.102 -3.616 -3.683) 12.243 13.900 ( -8.287 5.165 9.749) 13.798 14.587 ( 2.542 -3.008 -6.818) 7.874 14.834 ( 6.418 4.077 4.822) 9.004 15.522 ( -3.382 -0.641 -0.495) 3.478 15.795 ( 11.274 0.892 2.048) 11.493 16.392 ( -1.739 -0.559 0.931) 2.050 16.626 ( 2.597 -4.253 -10.602) 11.715 ======================= Grid point 486 (232/300) ======================= q-point: (-0.18 -0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -20.946 0.000 20.027) 28.980 2.488 ( -27.244 0.000 9.254) 28.773 3.811 ( -37.249 0.000 2.861) 37.359 3.849 ( 6.930 -0.000 4.744) 8.398 3.898 ( 9.792 -0.000 -11.202) 14.879 4.264 ( -12.515 0.000 -1.771) 12.640 4.560 ( 0.076 -0.000 5.939) 5.940 4.661 ( 3.550 -0.000 -1.863) 4.009 5.242 ( 14.131 -0.000 2.844) 14.415 5.572 ( 2.113 -0.000 -6.798) 7.118 6.061 ( 22.197 -0.000 3.684) 22.501 6.308 ( 7.878 -0.000 -2.619) 8.303 6.666 ( 7.067 -0.000 -7.942) 10.631 6.994 ( 4.297 -0.000 4.373) 6.131 7.365 ( -1.304 0.000 -2.895) 3.175 7.721 ( 4.934 -0.000 -3.422) 6.005 8.505 ( -0.450 0.000 1.468) 1.535 8.508 ( -3.345 0.000 -0.309) 3.359 9.222 ( -1.465 0.000 -0.208) 1.480 9.361 ( 2.493 -0.000 1.057) 2.707 10.080 ( 7.429 -0.000 -6.704) 10.007 10.527 ( -4.775 0.000 0.272) 4.783 10.933 ( -4.830 0.000 7.209) 8.677 11.383 ( 7.347 -0.000 -1.572) 7.513 11.669 ( -8.539 0.000 -6.007) 10.440 12.481 ( -10.202 0.000 -8.509) 13.285 12.612 ( 6.827 -0.000 -0.099) 6.828 12.737 ( -8.300 0.000 2.965) 8.813 12.951 ( -14.311 0.000 -3.034) 14.629 13.955 ( -7.486 0.000 10.702) 13.061 14.554 ( 3.063 -0.000 -7.135) 7.765 14.874 ( 6.838 -0.000 3.699) 7.774 15.514 ( -3.620 0.000 0.408) 3.643 15.803 ( 12.646 -0.000 1.769) 12.769 16.392 ( -3.314 0.000 1.750) 3.748 16.577 ( 2.248 -0.000 -11.600) 11.816 ======================= Grid point 487 (233/300) ======================= q-point: (-0.09 -0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -26.476 -0.899 13.027) 29.521 2.230 ( -14.515 -5.122 27.030) 31.105 3.228 ( -40.410 -8.222 9.864) 42.401 3.910 ( -9.206 4.094 -5.670) 11.561 3.960 ( -1.443 -0.049 -0.929) 1.717 4.051 ( 3.472 -5.146 -1.690) 6.434 4.690 ( 7.881 0.562 8.386) 11.522 4.722 ( 5.125 -1.290 -4.677) 7.057 5.469 ( 12.617 1.527 0.884) 12.740 5.588 ( 3.539 -0.284 -3.479) 4.971 6.402 ( 13.637 4.069 1.457) 14.305 6.430 ( 12.500 1.046 -0.502) 12.554 6.762 ( 11.168 5.341 -3.413) 12.841 7.109 ( 6.238 -3.230 1.441) 7.171 7.334 ( 0.838 0.840 -4.448) 4.603 7.764 ( 6.826 4.909 -7.008) 10.945 8.355 ( -3.989 7.771 1.046) 8.797 8.556 ( -6.751 -10.515 0.240) 12.498 9.226 ( 0.279 -2.572 -0.001) 2.587 9.428 ( 4.147 -0.286 2.284) 4.743 10.134 ( 5.228 2.479 -7.469) 9.448 10.438 ( -6.118 -1.045 -0.115) 6.207 10.851 ( -8.970 2.890 7.249) 11.889 11.474 ( 2.882 -0.869 -0.742) 3.100 11.565 ( -0.522 -3.625 -2.585) 4.483 12.173 ( -15.830 6.382 -6.955) 18.431 12.578 ( -14.698 -6.549 0.958) 16.120 12.662 ( -11.516 0.101 -4.804) 12.478 12.848 ( 10.632 -1.794 -2.170) 10.999 13.838 ( -9.786 3.070 4.259) 11.105 14.550 ( -0.708 -1.675 -3.810) 4.222 15.006 ( 7.929 2.242 2.834) 8.713 15.457 ( -3.244 -0.484 -1.056) 3.446 15.996 ( 7.864 1.566 5.410) 9.673 16.346 ( -3.377 -1.001 0.759) 3.603 16.598 ( 7.238 -2.854 -10.552) 13.110 ======================= Grid point 498 (234/300) ======================= q-point: (-0.09 -0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -23.098 0.000 15.722) 27.941 2.073 ( -24.928 0.000 23.577) 34.312 2.714 ( -22.174 0.000 26.757) 34.751 3.606 ( -18.319 0.000 -5.773) 19.207 3.953 ( 1.633 -0.000 -7.540) 7.714 4.145 ( 4.885 -0.000 4.021) 6.327 4.802 ( 8.461 -0.000 -6.826) 10.871 4.886 ( 8.746 -0.000 9.382) 12.826 5.645 ( 4.806 -0.000 0.322) 4.817 5.672 ( 11.226 -0.000 -1.632) 11.344 6.517 ( 6.457 -0.000 -7.552) 9.936 6.673 ( 6.420 -0.000 8.519) 10.667 6.933 ( 4.977 -0.000 0.534) 5.005 7.249 ( 13.621 -0.000 -2.285) 13.811 7.392 ( 9.988 -0.000 -5.362) 11.336 7.884 ( 10.769 -0.000 -10.653) 15.148 8.280 ( -9.740 0.000 -1.460) 9.849 8.378 ( -8.703 0.000 2.914) 9.178 9.229 ( 1.418 -0.000 0.175) 1.429 9.527 ( 5.451 -0.000 4.029) 6.778 10.171 ( 2.333 -0.000 -6.526) 6.930 10.320 ( -6.699 0.000 -0.227) 6.703 10.690 ( -16.274 0.000 3.274) 16.601 11.545 ( 4.952 -0.000 1.555) 5.190 11.562 ( 4.685 -0.000 -0.493) 4.711 11.874 ( -17.611 0.000 -8.718) 19.651 12.268 ( -25.301 0.000 -5.458) 25.883 12.326 ( -13.920 0.000 1.494) 14.000 13.093 ( 15.912 -0.000 -2.679) 16.136 13.705 ( -8.792 0.000 1.719) 8.959 14.491 ( -3.050 0.000 -2.423) 3.895 15.159 ( 7.262 -0.000 2.633) 7.724 15.399 ( -2.727 0.000 -1.017) 2.910 16.103 ( 1.354 -0.000 4.301) 4.509 16.285 ( -3.373 0.000 0.066) 3.374 16.719 ( 13.029 -0.000 -4.673) 13.841 ======================= Grid point 499 (235/300) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -0.166 0.000 7.039) 7.041 1.894 ( 1.792 -0.000 7.571) 7.780 3.071 ( -0.631 0.000 -2.748) 2.819 3.467 ( 0.736 -0.000 12.306) 12.328 3.756 ( -0.314 0.000 -3.262) 3.277 4.294 ( -0.756 0.000 1.857) 2.005 4.823 ( 2.638 -0.000 -4.603) 5.306 5.437 ( 3.053 -0.000 9.330) 9.816 5.796 ( 1.059 -0.000 -5.357) 5.461 5.897 ( 1.203 -0.000 1.983) 2.319 6.323 ( -1.472 0.000 -4.870) 5.087 6.900 ( -0.615 0.000 3.644) 3.695 6.939 ( -0.628 0.000 0.147) 0.645 7.548 ( -0.672 0.000 -4.504) 4.554 7.586 ( 0.389 -0.000 -2.331) 2.363 7.890 ( -1.506 0.000 -0.191) 1.518 7.899 ( -2.472 0.000 -0.290) 2.489 8.103 ( 3.386 -0.000 -4.396) 5.549 9.287 ( 0.273 -0.000 0.218) 0.350 9.831 ( -1.547 0.000 6.029) 6.224 9.981 ( -6.531 0.000 -2.380) 6.951 10.170 ( -0.322 0.000 -0.105) 0.339 10.257 ( 8.287 -0.000 -2.881) 8.774 11.383 ( -1.343 0.000 -0.221) 1.361 11.665 ( -4.835 0.000 2.567) 5.474 11.844 ( 2.270 -0.000 1.561) 2.755 11.902 ( 6.907 -0.000 -2.032) 7.199 11.942 ( -2.850 0.000 0.179) 2.855 13.313 ( -0.205 0.000 -1.319) 1.334 13.634 ( 0.082 -0.000 1.095) 1.098 14.356 ( 0.003 -0.000 -1.050) 1.050 15.293 ( -1.123 0.000 -0.251) 1.151 15.404 ( 1.006 -0.000 1.472) 1.783 16.196 ( -0.119 0.000 -0.517) 0.530 16.205 ( -0.080 0.000 1.532) 1.534 16.932 ( -0.056 0.000 -0.740) 0.742 ======================= Grid point 500 (236/300) ======================= q-point: ( 0.09 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 8.779 -8.579 2.627) 12.553 2.236 ( 28.084 -12.473 1.137) 30.751 3.141 ( 8.980 -0.817 -0.205) 9.020 3.481 ( -1.570 3.995 3.495) 5.535 3.768 ( -0.957 -6.104 -0.515) 6.200 4.286 ( -0.897 0.284 1.786) 2.018 4.788 ( -1.611 2.964 -5.936) 6.828 5.504 ( 1.242 0.047 -0.500) 1.340 5.711 ( -7.224 1.587 -2.825) 7.917 5.858 ( -3.972 2.448 -1.194) 4.816 6.292 ( 0.296 0.077 -1.143) 1.184 6.906 ( -1.084 4.055 -0.201) 4.202 6.966 ( 3.835 -1.596 4.575) 6.180 7.311 ( -16.700 11.692 -0.660) 20.397 7.405 ( -10.225 9.639 -1.627) 14.145 7.707 ( -15.862 -7.313 -0.558) 17.476 8.046 ( 9.287 -5.905 1.397) 11.094 8.288 ( 14.314 0.561 -2.785) 14.594 9.284 ( -1.146 -1.525 -0.401) 1.949 9.788 ( -6.810 0.615 5.307) 8.655 9.834 ( -7.526 1.367 1.172) 7.738 10.227 ( 3.257 -4.729 0.256) 5.748 10.580 ( 26.690 -3.430 -6.865) 27.772 11.394 ( -0.230 -0.982 4.241) 4.360 11.616 ( 0.423 3.204 0.900) 3.354 11.783 ( -6.620 -7.985 -0.372) 10.379 12.028 ( 13.906 2.658 -1.934) 14.289 12.173 ( 13.114 -12.938 -2.163) 18.549 13.218 ( -11.137 0.343 -0.140) 11.143 13.634 ( 3.969 5.306 0.262) 6.631 14.391 ( 1.605 -3.875 -0.552) 4.230 15.273 ( -0.386 2.240 1.760) 2.875 15.398 ( -1.785 0.095 -0.877) 1.991 16.202 ( -0.417 0.494 0.764) 1.001 16.225 ( 2.302 -2.003 0.006) 3.052 16.825 ( -9.003 5.541 -0.388) 10.579 ======================= Grid point 501 (237/300) ======================= q-point: ( 0.18 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 15.767 -8.909 -1.947) 18.215 2.916 ( 32.916 -19.134 -4.130) 38.296 3.315 ( 5.614 -0.212 2.313) 6.076 3.452 ( 8.929 4.033 -2.090) 10.018 3.802 ( -3.766 -6.575 1.760) 7.779 4.303 ( 1.563 -2.628 0.238) 3.067 4.659 ( -5.267 4.175 -5.357) 8.595 5.384 ( -9.877 3.192 -12.415) 16.182 5.588 ( -5.565 2.298 4.593) 7.573 5.757 ( -3.224 0.455 -4.624) 5.656 6.301 ( 1.189 1.519 -0.672) 2.043 6.805 ( -6.851 8.581 -1.073) 11.033 6.864 ( -17.237 12.178 2.574) 21.261 7.056 ( -6.206 8.294 4.122) 11.149 7.158 ( -1.228 -1.152 -0.678) 1.815 7.566 ( -10.985 -7.388 1.091) 13.283 8.227 ( 5.235 -2.993 1.896) 6.321 8.485 ( 12.138 0.124 -1.445) 12.225 9.282 ( -1.014 -2.836 -0.672) 3.085 9.648 ( -7.499 1.534 -1.786) 7.860 9.768 ( -4.624 1.017 8.132) 9.410 10.336 ( 4.198 -3.419 0.567) 5.444 10.939 ( 15.589 0.058 -6.052) 16.723 11.453 ( 0.149 -5.906 5.129) 7.823 11.621 ( 3.922 1.347 -1.838) 4.536 11.828 ( 1.543 -9.750 0.356) 9.878 12.279 ( 18.619 0.411 -1.549) 18.688 12.532 ( 15.262 -15.854 -3.392) 22.266 12.959 ( -16.113 4.937 1.149) 16.891 13.693 ( 7.403 2.136 0.083) 7.706 14.443 ( -0.513 -4.239 0.080) 4.271 15.260 ( 0.747 3.628 2.844) 4.670 15.343 ( -3.414 0.114 -2.362) 4.153 16.197 ( 0.315 0.381 0.348) 0.605 16.306 ( 4.318 -3.093 -0.058) 5.312 16.553 ( -14.983 8.635 0.225) 17.295 ======================= Grid point 502 (238/300) ======================= q-point: ( 0.27 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 17.949 -7.914 -4.595) 20.147 3.269 ( 1.450 -2.571 -11.646) 12.014 3.452 ( 11.807 -1.871 1.749) 12.082 3.772 ( -2.827 0.038 3.379) 4.406 3.848 ( 28.223 -12.898 2.336) 31.118 4.335 ( -1.854 -0.739 -7.609) 7.867 4.561 ( -0.385 -3.539 2.330) 4.255 5.082 ( -14.071 3.056 -8.569) 16.756 5.476 ( -5.833 4.445 0.974) 7.398 5.689 ( -1.670 -0.131 -9.280) 9.430 6.228 ( -6.851 8.409 -0.382) 10.853 6.401 ( -16.982 8.951 -0.843) 19.215 6.693 ( -5.437 5.066 -2.502) 7.841 6.846 ( -3.916 10.409 6.599) 12.932 7.265 ( 2.886 -6.254 1.455) 7.040 7.475 ( -7.925 -3.939 1.617) 8.996 8.284 ( 0.752 2.100 1.303) 2.583 8.677 ( 10.106 -2.258 0.716) 10.380 9.302 ( 0.352 -3.281 -0.384) 3.322 9.527 ( -5.203 -0.094 -1.413) 5.392 9.734 ( -3.289 1.123 6.389) 7.273 10.419 ( 3.166 -0.202 0.736) 3.256 11.033 ( 2.444 0.993 -1.956) 3.284 11.505 ( -0.142 -3.738 -1.554) 4.051 11.716 ( 2.437 -7.456 -1.392) 7.966 11.977 ( 5.756 -3.812 0.928) 6.966 12.500 ( 2.455 4.982 1.903) 5.871 12.739 ( 2.736 -0.562 0.823) 2.912 12.892 ( 12.330 -11.910 -3.895) 17.580 13.832 ( 9.944 -0.633 0.380) 9.971 14.443 ( -4.318 -3.250 1.142) 5.524 15.251 ( -1.739 1.226 -6.755) 7.082 15.276 ( -0.265 3.231 6.538) 7.297 16.168 ( -7.051 8.020 -6.842) 12.682 16.257 ( -6.690 -0.073 7.585) 10.114 16.420 ( 4.847 -3.522 0.260) 5.998 ======================= Grid point 503 (239/300) ======================= q-point: ( 0.36 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 14.952 -5.594 -4.191) 16.506 3.258 ( 2.891 -2.317 -11.017) 11.623 3.504 ( -5.217 1.335 2.607) 5.983 3.762 ( 0.914 2.941 1.054) 3.255 4.206 ( -2.249 1.115 -5.766) 6.289 4.447 ( 22.797 -7.970 1.762) 24.214 4.663 ( -0.923 -4.420 0.623) 4.558 4.868 ( -3.544 -7.595 -1.569) 8.527 5.342 ( -5.693 4.875 1.273) 7.603 5.565 ( -5.032 2.200 -11.064) 12.352 5.969 ( -8.389 10.665 0.849) 13.595 6.116 ( -10.725 5.775 -2.481) 12.431 6.530 ( -6.882 2.794 -5.695) 9.360 6.828 ( 4.597 6.021 6.681) 10.101 7.326 ( -4.607 -5.274 0.396) 7.014 7.424 ( -0.845 -1.696 1.329) 2.314 8.254 ( -1.093 3.853 1.578) 4.305 8.855 ( 7.535 -2.780 2.259) 8.343 9.348 ( 1.681 -2.591 -0.156) 3.093 9.454 ( -3.895 -0.987 -0.902) 4.118 9.715 ( -1.325 0.332 2.961) 3.261 10.452 ( 1.819 2.159 0.804) 2.935 11.046 ( 0.062 -1.702 0.391) 1.747 11.537 ( 0.613 -5.291 -2.421) 5.851 11.767 ( -2.745 -6.628 -3.371) 7.927 11.955 ( -6.426 8.126 -1.103) 10.419 12.496 ( 4.641 -1.204 6.948) 8.442 12.952 ( 11.716 -3.381 1.196) 12.253 13.103 ( 6.106 -5.875 -4.242) 9.476 14.008 ( 10.035 -0.413 -1.834) 10.210 14.385 ( -6.588 -2.392 3.059) 7.647 15.123 ( -6.575 3.340 -4.027) 8.403 15.321 ( 4.091 1.888 3.214) 5.534 15.886 ( -10.663 5.428 -2.601) 12.244 16.303 ( 2.110 -1.701 4.214) 5.010 16.530 ( 4.597 -2.868 -0.458) 5.438 ======================= Grid point 504 (240/300) ======================= q-point: ( 0.45 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 4.639 -1.573 0.975) 4.995 3.243 ( -4.247 0.345 -1.630) 4.562 3.421 ( 0.526 -0.200 -4.771) 4.804 3.691 ( -3.358 3.070 -1.129) 4.688 4.178 ( 1.042 0.952 -2.752) 3.093 4.577 ( -1.949 -0.102 0.043) 1.953 4.752 ( 4.948 -2.958 2.557) 6.307 5.087 ( 8.018 -10.008 0.347) 12.829 5.221 ( -5.459 3.887 5.119) 8.433 5.413 ( -2.018 1.480 -9.897) 10.208 5.816 ( 0.952 9.641 0.946) 9.734 5.922 ( -7.377 -0.719 -2.238) 7.743 6.364 ( -5.209 2.055 -5.842) 8.092 6.906 ( 5.661 2.991 3.111) 7.118 7.271 ( -4.675 -3.487 -1.058) 5.927 7.456 ( 0.573 -1.559 0.725) 1.812 8.217 ( -0.679 2.304 2.042) 3.152 8.988 ( 3.815 -1.069 3.002) 4.970 9.372 ( -0.348 0.773 -0.479) 0.974 9.423 ( -0.351 -2.222 -1.503) 2.705 9.718 ( 0.709 -0.592 -0.408) 1.010 10.459 ( 0.626 1.005 0.656) 1.354 11.071 ( -0.915 -2.129 2.331) 3.287 11.593 ( -0.498 -8.250 -1.841) 8.468 11.720 ( -1.115 6.011 -2.987) 6.804 11.767 ( -5.949 1.182 -0.882) 6.130 12.656 ( 5.692 -1.881 4.593) 7.552 13.111 ( 0.700 -5.352 2.070) 5.781 13.188 ( 5.325 1.906 -2.974) 6.391 14.086 ( -1.128 -0.652 -1.672) 2.120 14.361 ( 1.900 -0.461 1.336) 2.368 14.954 ( -7.700 3.015 0.614) 8.292 15.396 ( 4.622 -0.215 -0.395) 4.644 15.719 ( -4.349 1.850 -0.976) 4.826 16.373 ( 2.484 -0.551 2.085) 3.289 16.606 ( 2.703 -1.093 -1.377) 3.224 ======================= Grid point 505 (241/300) ======================= q-point: (-0.45 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -10.774 3.348 11.483) 16.098 3.078 ( -12.904 5.764 4.121) 14.722 3.496 ( 9.207 -2.897 -8.290) 12.724 3.685 ( 4.176 -1.229 -0.461) 4.378 4.157 ( -2.193 -0.683 -0.868) 2.455 4.565 ( -1.693 -1.369 1.266) 2.519 4.796 ( -1.568 1.386 -1.675) 2.680 5.080 ( -9.425 9.390 1.571) 13.397 5.189 ( 2.245 1.815 7.726) 8.248 5.398 ( 4.664 -0.724 -8.586) 9.798 5.827 ( 2.034 -4.971 0.818) 5.433 5.904 ( 6.182 -0.756 -0.371) 6.239 6.316 ( 2.535 -2.574 -2.075) 4.166 6.963 ( 1.769 -0.825 -1.775) 2.638 7.265 ( 1.591 -2.564 -1.035) 3.190 7.467 ( -0.402 -0.156 -0.286) 0.518 8.219 ( 0.542 -0.492 1.867) 2.005 9.004 ( -2.541 2.749 1.485) 4.027 9.378 ( 2.234 -0.429 -0.707) 2.382 9.413 ( -1.037 1.712 -0.961) 2.220 9.751 ( 3.371 -1.819 -3.509) 5.194 10.465 ( -0.833 -2.112 0.103) 2.273 11.053 ( -4.670 0.164 4.028) 6.170 11.599 ( -1.002 4.947 -2.447) 5.609 11.686 ( 3.908 1.848 0.174) 4.327 11.760 ( 1.210 -9.598 -0.143) 9.675 12.707 ( -1.587 1.533 -0.789) 2.343 13.111 ( -7.459 -4.107 1.903) 8.725 13.192 ( 2.343 7.918 -2.349) 8.585 14.014 ( -9.329 -4.001 4.802) 11.229 14.434 ( 7.802 2.276 -5.880) 10.031 14.872 ( -3.306 -1.376 7.877) 8.652 15.450 ( 1.441 -2.475 -4.682) 5.489 15.696 ( 3.406 0.969 1.210) 3.742 16.409 ( 1.792 1.264 -0.915) 2.377 16.616 ( -0.004 1.384 -2.698) 3.032 ======================= Grid point 506 (242/300) ======================= q-point: (-0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -19.072 7.246 7.733) 21.818 2.931 ( -9.589 4.835 19.159) 21.964 3.611 ( 4.774 -1.762 -7.047) 8.692 3.780 ( 3.956 -2.129 -0.697) 4.547 4.119 ( -1.315 0.321 2.414) 2.768 4.461 ( -23.136 4.923 0.828) 23.668 4.671 ( 2.461 4.518 1.365) 5.323 4.847 ( -2.913 10.724 -0.538) 11.126 5.313 ( 7.358 -0.776 6.482) 9.836 5.451 ( 4.333 -2.232 -2.871) 5.657 5.992 ( 8.574 -11.088 -0.811) 14.040 6.096 ( 13.415 -3.625 -0.108) 13.897 6.434 ( 6.547 -4.257 1.898) 8.037 6.977 ( -0.072 -5.872 -6.409) 8.692 7.326 ( 2.951 1.471 -0.049) 3.298 7.460 ( 1.678 -0.633 -2.225) 2.858 8.258 ( 0.993 -2.494 1.252) 2.962 8.890 ( -6.546 4.770 -1.020) 8.164 9.353 ( -1.477 3.785 -0.661) 4.116 9.426 ( 2.676 0.632 1.485) 3.125 9.819 ( 5.270 -3.140 -6.698) 9.083 10.467 ( -1.886 -2.820 -0.593) 3.444 10.990 ( -5.776 -0.552 5.530) 8.015 11.519 ( -1.489 4.060 -0.690) 4.379 11.718 ( 4.599 7.806 1.299) 9.153 11.946 ( 5.164 -12.130 -0.085) 13.184 12.598 ( -5.501 2.071 -3.599) 6.892 12.958 ( -13.652 0.251 0.212) 13.656 13.094 ( -2.065 10.966 -1.985) 11.334 13.929 ( -10.657 -5.433 5.674) 13.240 14.486 ( 6.077 2.793 -6.878) 9.594 14.947 ( 1.637 -3.635 11.032) 11.730 15.437 ( -1.460 -2.184 -5.928) 6.484 15.825 ( 9.268 -2.637 2.969) 10.083 16.401 ( 1.514 2.798 -3.693) 4.875 16.555 ( -1.818 3.541 -4.090) 5.707 ======================= Grid point 507 (243/300) ======================= q-point: (-0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -20.890 7.425 10.709) 24.621 2.884 ( -5.839 6.001 23.998) 25.417 3.491 ( -15.458 5.225 -1.360) 16.374 3.849 ( 4.935 3.708 -3.505) 7.098 3.902 ( -26.689 6.399 -2.476) 27.557 4.187 ( 4.392 0.750 6.230) 7.659 4.656 ( -0.361 3.864 -5.888) 7.051 4.877 ( 8.521 -0.229 10.472) 13.503 5.481 ( 8.489 -1.780 1.430) 8.791 5.545 ( 4.170 -2.621 2.845) 5.688 6.243 ( 7.624 -8.727 -1.717) 11.715 6.398 ( 18.260 -6.884 0.526) 19.522 6.617 ( 8.628 -6.037 2.454) 10.812 7.028 ( 2.948 -10.313 -8.602) 13.749 7.283 ( -3.264 4.524 -0.540) 5.605 7.539 ( 8.391 0.061 -4.349) 9.452 8.294 ( -0.665 -2.374 0.466) 2.509 8.700 ( -9.654 5.359 -1.525) 11.147 9.298 ( -0.180 4.194 -0.011) 4.197 9.482 ( 3.597 -0.182 2.552) 4.414 9.895 ( 5.466 -3.161 -8.645) 10.705 10.437 ( -3.196 0.031 -1.004) 3.350 10.936 ( -8.039 -2.826 6.983) 11.017 11.482 ( 1.051 2.254 0.464) 2.530 11.700 ( 2.798 9.656 0.486) 10.065 12.001 ( -7.364 -0.738 -1.669) 7.586 12.519 ( -10.097 -4.247 -0.741) 10.978 12.753 ( -2.643 2.446 -0.651) 3.660 12.891 ( -6.234 11.650 -2.762) 13.498 13.817 ( -10.728 -3.451 2.048) 11.454 14.502 ( 3.101 3.106 -4.530) 6.307 15.083 ( 3.275 -3.485 9.109) 10.288 15.395 ( -1.483 -1.228 -4.901) 5.265 16.043 ( 7.382 -5.657 5.521) 10.816 16.378 ( 0.594 2.605 -2.272) 3.507 16.477 ( 2.994 3.393 -7.358) 8.638 ======================= Grid point 508 (244/300) ======================= q-point: (-0.18 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -17.966 6.829 11.887) 22.599 2.699 ( -24.781 19.803 16.338) 35.682 3.205 ( -6.422 1.881 13.916) 15.442 3.480 ( -17.824 -0.595 -4.750) 18.456 3.870 ( 3.144 5.838 -5.268) 8.469 4.259 ( 1.482 1.227 4.387) 4.790 4.655 ( 5.325 -2.068 -4.532) 7.291 5.105 ( 8.248 -1.524 13.733) 16.092 5.634 ( 7.967 -1.913 -1.291) 8.295 5.666 ( 5.226 -2.518 4.085) 7.095 6.356 ( 3.352 -2.311 -5.108) 6.532 6.730 ( 6.195 -7.914 5.680) 11.545 6.904 ( 19.160 -8.687 -0.810) 21.053 7.163 ( -4.602 2.918 -1.911) 5.774 7.191 ( 8.440 -13.008 -7.518) 17.232 7.653 ( 11.458 3.653 -6.867) 13.848 8.261 ( -4.766 1.136 -1.164) 5.036 8.471 ( -12.111 3.419 -0.032) 12.585 9.271 ( 1.033 3.187 0.396) 3.374 9.588 ( 6.123 -1.759 3.435) 7.238 9.956 ( 5.088 -2.252 -9.330) 10.863 10.350 ( -4.643 3.102 -0.809) 5.642 10.802 ( -16.970 -0.157 6.918) 18.327 11.517 ( 4.553 0.671 -0.594) 4.641 11.628 ( -3.721 3.608 -2.629) 5.812 11.821 ( -4.937 8.174 0.443) 9.560 12.238 ( -20.740 -0.079 1.494) 20.794 12.510 ( -13.437 15.507 -0.843) 20.536 12.995 ( 15.273 -4.642 -2.193) 16.112 13.689 ( -8.625 -2.981 0.573) 9.144 14.473 ( -0.133 3.930 -2.678) 4.758 15.213 ( 3.166 -3.722 5.706) 7.513 15.363 ( -0.448 -0.071 -2.886) 2.922 16.164 ( 0.695 -1.724 3.282) 3.771 16.309 ( -3.623 2.909 -0.350) 4.660 16.606 ( 13.834 -4.145 -4.546) 15.141 ======================= Grid point 509 (245/300) ======================= q-point: (-0.09 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -9.640 5.823 10.590) 15.459 2.123 ( -25.509 15.989 11.428) 32.201 3.188 ( -9.231 0.834 -3.014) 9.746 3.340 ( 0.739 -2.697 16.321) 16.559 3.808 ( 0.316 5.297 -4.668) 7.067 4.285 ( 0.182 -0.364 2.205) 2.242 4.761 ( 5.878 -2.534 -3.436) 7.265 5.303 ( 5.298 -0.356 13.333) 14.351 5.753 ( 5.805 -1.199 -3.142) 6.708 5.805 ( 5.543 -2.436 3.693) 7.092 6.365 ( 0.874 -0.468 -7.253) 7.321 6.862 ( -0.327 -6.530 4.595) 7.991 7.003 ( -3.722 5.825 0.483) 6.929 7.350 ( 17.892 -10.412 -3.645) 21.020 7.434 ( 8.039 -13.038 -4.401) 15.937 7.775 ( 14.805 6.415 -7.361) 17.735 8.085 ( -10.299 6.183 -2.303) 12.232 8.259 ( -12.715 -0.429 0.496) 12.732 9.274 ( 1.499 1.447 0.546) 2.153 9.738 ( 6.674 -1.658 4.305) 8.113 10.001 ( 4.641 -0.938 -8.742) 9.942 10.235 ( -4.007 4.026 -0.416) 5.695 10.457 ( -23.371 4.267 4.826) 24.243 11.463 ( -6.738 0.360 -3.221) 7.477 11.641 ( 5.705 -3.611 -0.878) 6.809 11.755 ( 2.887 6.187 2.228) 7.182 11.962 ( -10.873 3.472 3.531) 11.948 12.159 ( -12.964 9.895 -0.273) 16.310 13.238 ( 10.848 -0.419 -1.995) 11.038 13.624 ( -4.385 -5.287 1.234) 6.979 14.403 ( -1.800 3.715 -1.648) 4.445 15.299 ( -0.454 -3.808 0.126) 3.837 15.361 ( 2.483 1.470 1.674) 3.336 16.190 ( 0.272 -0.395 1.981) 2.038 16.231 ( -2.423 1.856 -0.646) 3.120 16.837 ( 9.110 -4.669 -1.464) 10.341 ======================= Grid point 511 (246/300) ======================= q-point: ( 0.09 0.09 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 17.820 -0.000 -0.214) 17.821 2.724 ( 37.913 -0.000 -6.152) 38.409 3.313 ( 7.161 -0.000 2.092) 7.460 3.515 ( 7.589 -0.000 -1.918) 7.828 3.713 ( -2.593 0.000 1.194) 2.854 4.282 ( -0.683 0.000 1.539) 1.683 4.701 ( -6.133 0.000 -6.535) 8.962 5.414 ( -8.943 0.000 -13.997) 16.610 5.611 ( -4.101 0.000 4.925) 6.409 5.760 ( -6.538 0.000 -3.206) 7.282 6.313 ( 2.062 -0.000 -0.517) 2.126 6.936 ( -2.295 0.000 2.680) 3.528 6.971 ( -13.585 0.000 -5.821) 14.779 7.057 ( -6.043 0.000 7.056) 9.289 7.202 ( -19.605 0.000 0.722) 19.618 7.497 ( -5.320 0.000 2.014) 5.689 8.186 ( 8.472 -0.000 2.649) 8.877 8.486 ( 11.055 -0.000 -2.735) 11.388 9.249 ( -1.386 0.000 -0.750) 1.576 9.661 ( -9.114 0.000 -0.818) 9.151 9.789 ( -3.734 0.000 7.900) 8.738 10.294 ( 6.319 -0.000 0.886) 6.381 10.938 ( 19.275 -0.000 -6.375) 20.302 11.393 ( -0.906 0.000 6.509) 6.572 11.628 ( -5.464 0.000 -1.474) 5.660 11.754 ( 12.201 -0.000 -1.806) 12.334 12.281 ( 11.024 -0.000 3.459) 11.554 12.365 ( 24.398 -0.000 -6.935) 25.365 13.003 ( -15.495 0.000 0.794) 15.515 13.728 ( 5.183 -0.000 0.686) 5.228 14.394 ( 0.463 -0.000 0.058) 0.467 15.297 ( 0.104 -0.000 3.637) 3.639 15.342 ( -3.401 0.000 -3.156) 4.640 16.203 ( 0.134 -0.000 0.551) 0.567 16.273 ( 4.478 -0.000 0.107) 4.480 16.638 ( -15.933 0.000 -1.303) 15.986 ======================= Grid point 512 (247/300) ======================= q-point: ( 0.18 0.09 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 20.976 -2.854 -2.921) 21.370 3.193 ( 12.488 -3.596 -16.743) 21.195 3.441 ( 18.005 0.152 3.444) 18.332 3.672 ( -2.191 -3.521 2.858) 5.037 3.795 ( 21.034 0.027 2.523) 21.185 4.283 ( -1.107 -2.546 -3.391) 4.383 4.549 ( -6.759 0.520 -1.680) 6.984 5.124 ( -15.673 1.265 -9.521) 18.382 5.561 ( -2.729 4.216 -2.373) 5.555 5.657 ( -3.744 -2.932 -5.575) 7.327 6.316 ( -1.686 1.791 -1.243) 2.756 6.554 ( -23.618 5.599 -1.577) 24.324 6.782 ( -11.985 3.531 -4.064) 13.139 6.992 ( -5.856 4.038 9.493) 11.862 7.138 ( 2.329 -5.971 1.802) 6.658 7.456 ( -2.302 1.069 3.568) 4.379 8.314 ( 4.684 0.890 3.127) 5.702 8.626 ( 7.532 -2.067 -2.875) 8.323 9.242 ( -0.009 -2.209 -0.928) 2.396 9.520 ( -7.149 -0.375 -0.819) 7.206 9.768 ( -3.430 1.576 7.657) 8.537 10.409 ( 5.876 -0.594 1.083) 6.004 11.056 ( 0.143 0.997 0.180) 1.023 11.462 ( 3.399 -0.323 -0.744) 3.494 11.566 ( -2.406 -5.777 -2.609) 6.780 11.983 ( 15.787 1.817 0.021) 15.891 12.495 ( 7.807 -4.874 5.336) 10.638 12.727 ( 0.138 2.731 -2.740) 3.871 12.785 ( 12.493 -2.558 -2.934) 13.085 13.842 ( 8.649 0.941 2.800) 9.139 14.384 ( -3.756 -2.175 0.954) 4.444 15.261 ( -3.141 0.148 -5.290) 6.154 15.318 ( -0.075 1.097 5.193) 5.308 16.226 ( 2.672 0.370 0.639) 2.772 16.317 ( -18.703 3.254 -2.688) 19.174 16.365 ( 5.186 -1.813 0.014) 5.494 ======================= Grid point 513 (248/300) ======================= q-point: ( 0.27 0.09 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 19.742 -2.246 -4.115) 20.291 3.214 ( 4.043 -2.127 -13.951) 14.680 3.533 ( -5.822 1.695 3.090) 6.806 3.817 ( 9.380 2.149 0.609) 9.642 4.177 ( -0.116 -3.689 -6.212) 7.226 4.292 ( 22.363 -6.127 1.256) 23.221 4.549 ( 1.674 -5.581 4.435) 7.323 4.813 ( -15.026 0.118 -4.887) 15.801 5.435 ( -4.882 4.894 -2.417) 7.323 5.581 ( -3.884 -0.982 -10.751) 11.473 6.116 ( -15.522 6.003 -0.180) 16.643 6.214 ( -10.952 3.149 -2.003) 11.570 6.576 ( -6.167 1.728 -6.077) 8.829 6.963 ( 1.803 7.214 8.444) 11.251 7.228 ( 0.143 -5.800 1.877) 6.098 7.428 ( -1.407 2.492 3.435) 4.471 8.342 ( 0.724 5.120 1.990) 5.541 8.758 ( 5.059 -6.599 -1.297) 8.416 9.280 ( 1.795 -3.758 -0.992) 4.282 9.431 ( -4.523 -1.279 -0.315) 4.711 9.737 ( -2.834 1.655 5.590) 6.482 10.493 ( 3.767 1.342 1.281) 4.199 11.019 ( -3.988 -0.511 2.904) 4.960 11.449 ( -3.622 -3.015 -2.199) 5.201 11.615 ( 0.777 -6.188 -3.569) 7.186 12.163 ( 8.848 9.043 0.457) 12.660 12.500 ( -3.557 1.342 6.316) 7.372 12.789 ( 6.187 -9.787 2.072) 11.762 13.094 ( 18.129 1.657 -6.974) 19.495 14.018 ( 10.475 1.389 3.880) 11.256 14.323 ( -7.454 -3.672 2.505) 8.679 15.170 ( -3.639 1.756 -5.836) 7.098 15.336 ( -0.731 -0.078 5.431) 5.481 15.971 ( -15.401 3.184 -4.562) 16.375 16.293 ( 4.770 0.435 2.053) 5.211 16.475 ( 5.480 -2.582 -0.757) 6.104 ======================= Grid point 514 (249/300) ======================= q-point: ( 0.36 0.09 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 12.646 0.674 -1.757) 12.785 3.239 ( 3.407 -0.670 -7.621) 8.375 3.425 ( -4.969 0.462 0.017) 4.990 3.779 ( -4.368 6.045 -2.752) 7.950 4.179 ( 1.415 -1.241 -2.531) 3.155 4.556 ( -6.860 -2.321 1.123) 7.328 4.682 ( 6.364 -3.386 3.457) 7.995 4.805 ( 11.104 -16.165 0.997) 19.636 5.287 ( -8.454 2.968 2.564) 9.320 5.438 ( -2.723 1.354 -12.791) 13.148 5.874 ( -9.221 1.309 -4.554) 10.367 6.044 ( -2.040 6.001 1.447) 6.502 6.437 ( -3.642 4.858 -6.153) 8.644 6.979 ( 2.149 4.380 1.951) 5.254 7.269 ( 1.211 1.849 3.651) 4.268 7.418 ( -0.692 -1.072 2.498) 2.805 8.291 ( -1.037 5.450 1.102) 5.656 8.890 ( 2.209 -8.444 0.176) 8.730 9.351 ( 2.460 -4.132 -0.996) 4.911 9.381 ( -2.471 -0.566 -0.262) 2.548 9.717 ( -0.832 0.494 2.133) 2.342 10.515 ( 0.721 3.631 1.457) 3.978 10.997 ( -3.544 -4.320 3.971) 6.855 11.397 ( -8.367 -9.397 -1.321) 12.651 11.648 ( 1.321 -0.863 -1.658) 2.289 12.109 ( 4.788 17.898 -0.034) 18.527 12.604 ( 6.216 -3.452 5.426) 8.944 12.952 ( 0.485 -8.658 2.663) 9.071 13.270 ( 11.712 4.147 -5.514) 13.593 14.084 ( -5.537 0.595 1.925) 5.893 14.331 ( 4.811 -2.542 3.065) 6.245 15.023 ( -7.854 4.301 -2.054) 9.187 15.356 ( -1.761 -3.879 1.895) 4.663 15.751 ( -5.196 1.446 -3.724) 6.554 16.382 ( 5.583 1.332 1.108) 5.846 16.573 ( 4.103 -2.193 -1.522) 4.895 ======================= Grid point 515 (250/300) ======================= q-point: (-0.55 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -7.017 4.581 8.718) 12.092 3.201 ( -4.344 6.765 1.294) 8.143 3.440 ( 8.164 -2.778 -7.480) 11.415 3.691 ( 2.337 1.964 -2.112) 3.712 4.141 ( -4.328 -0.999 -1.116) 4.580 4.527 ( -3.642 -2.553 2.602) 5.153 4.773 ( 0.307 -3.687 0.091) 3.701 5.082 ( 3.090 -10.759 -0.341) 11.199 5.172 ( -5.323 -1.518 7.839) 9.597 5.381 ( 4.599 -0.611 -11.267) 12.185 5.714 ( -6.116 -0.679 -4.275) 7.493 6.056 ( 8.134 8.632 2.578) 12.137 6.314 ( -0.906 3.355 -3.701) 5.077 6.950 ( -2.496 -0.163 -3.973) 4.695 7.308 ( 6.222 6.762 4.693) 10.318 7.442 ( -0.375 -2.509 1.309) 2.855 8.241 ( -0.245 2.811 0.323) 2.840 8.963 ( -3.377 -6.886 0.389) 7.679 9.363 ( 0.767 -1.048 -1.413) 1.919 9.412 ( 1.203 -1.503 -0.336) 1.954 9.729 ( 2.085 -0.584 -1.377) 2.566 10.477 ( -1.508 2.994 1.027) 3.506 11.007 ( -5.152 -4.699 5.525) 8.896 11.378 ( -6.335 -15.512 -0.528) 16.764 11.665 ( 2.909 4.163 1.463) 5.285 12.055 ( 10.525 19.256 0.219) 21.946 12.714 ( 1.038 -0.814 -0.269) 1.346 13.005 ( -4.038 -5.793 3.336) 7.809 13.337 ( 5.073 6.215 -2.919) 8.537 13.953 ( -11.614 -2.509 5.053) 12.912 14.462 ( 8.419 0.737 -4.147) 9.414 14.865 ( -7.632 0.892 6.630) 10.149 15.369 ( -1.890 -5.980 -3.524) 7.194 15.713 ( 2.371 0.791 -1.234) 2.787 16.450 ( 4.880 2.801 -1.342) 5.785 16.622 ( 1.509 -0.619 -2.626) 3.091 ======================= Grid point 516 (251/300) ======================= q-point: (-0.45 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( -13.763 10.852 5.528) 18.378 3.030 ( -8.296 6.040 15.787) 18.829 3.577 ( 7.837 -1.893 -5.939) 10.014 3.757 ( 5.671 -0.035 -1.577) 5.886 4.093 ( -2.823 -2.633 1.681) 4.210 4.462 ( -10.041 -2.588 2.429) 10.650 4.763 ( -1.538 2.254 -1.821) 3.281 5.020 ( -6.822 4.847 1.422) 8.489 5.300 ( 6.903 -2.453 3.517) 8.126 5.425 ( 4.521 -0.045 -5.029) 6.763 5.717 ( 2.796 -13.500 -1.502) 13.868 6.113 ( 8.451 5.308 -1.726) 10.128 6.367 ( 5.918 -2.765 3.602) 7.460 6.878 ( -3.768 -3.663 -7.357) 9.041 7.378 ( 3.067 3.329 3.782) 5.898 7.470 ( 4.518 1.917 0.296) 4.917 8.239 ( 1.814 0.338 -0.743) 1.989 8.906 ( -8.598 -3.265 -1.201) 9.275 9.391 ( 1.015 0.308 -1.511) 1.846 9.424 ( 0.437 -0.865 0.967) 1.369 9.779 ( 4.947 -1.065 -4.503) 6.774 10.443 ( -0.645 0.569 0.006) 0.860 10.965 ( -7.702 -2.262 7.109) 10.723 11.457 ( -3.865 -14.904 -0.324) 15.400 11.702 ( 5.618 4.309 3.944) 8.105 12.088 ( 13.863 17.606 1.153) 22.439 12.642 ( -6.002 2.264 -4.369) 7.761 12.939 ( -10.434 -1.420 0.370) 10.537 13.294 ( 0.006 8.781 -1.004) 8.838 13.840 ( -10.114 -3.680 7.660) 13.210 14.525 ( 5.240 1.348 -7.547) 9.287 14.871 ( -1.221 -4.102 13.090) 13.772 15.368 ( -1.041 -5.083 -6.763) 8.524 15.779 ( 5.175 -1.890 0.696) 5.553 16.470 ( 3.605 4.223 -4.017) 6.853 16.602 ( -0.955 1.370 -4.284) 4.598 ======================= Grid point 517 (252/300) ======================= q-point: (-0.36 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -16.091 13.415 9.191) 22.877 2.981 ( -4.433 4.614 20.901) 21.859 3.573 ( -4.759 3.793 -4.002) 7.284 3.837 ( 5.022 -1.920 -4.840) 7.234 4.145 ( -10.507 6.448 0.983) 12.366 4.163 ( -7.899 3.760 5.237) 10.196 4.727 ( -0.349 2.880 -2.298) 3.701 4.915 ( 1.660 3.682 4.400) 5.973 5.449 ( 7.952 -1.510 0.428) 8.106 5.489 ( 3.216 -2.070 2.778) 4.727 5.988 ( 9.635 -17.789 -0.918) 20.252 6.274 ( 12.532 -5.476 -2.016) 13.823 6.526 ( 6.213 -3.642 4.842) 8.678 6.831 ( -2.387 -8.246 -9.868) 13.079 7.347 ( -4.341 1.972 1.253) 4.930 7.584 ( 11.213 4.066 0.448) 11.936 8.272 ( 2.502 -0.019 -1.335) 2.836 8.748 ( -11.434 -0.621 -2.497) 11.720 9.364 ( -0.565 2.516 -0.816) 2.704 9.464 ( 1.258 -1.839 2.154) 3.099 9.856 ( 7.036 -0.795 -6.772) 9.798 10.437 ( -0.124 0.201 -0.967) 0.995 10.893 ( -8.820 -1.815 8.364) 12.290 11.496 ( -1.450 -4.194 0.554) 4.472 11.778 ( 1.629 1.253 2.479) 3.220 12.148 ( 9.346 16.318 1.944) 18.905 12.490 ( -7.016 1.387 -3.230) 7.847 12.746 ( -9.211 -1.444 -1.625) 9.464 13.148 ( -4.771 13.065 -1.564) 13.997 13.762 ( -8.408 -2.211 6.087) 10.613 14.546 ( 3.140 1.322 -4.437) 5.595 14.995 ( 0.947 -5.693 11.261) 12.654 15.357 ( 0.002 -2.899 -6.776) 7.370 15.924 ( 6.192 -6.270 3.013) 9.313 16.448 ( 1.538 4.496 -3.994) 6.207 16.532 ( -0.467 2.194 -7.404) 7.736 ======================= Grid point 518 (253/300) ======================= q-point: (-0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -13.207 14.728 11.520) 22.892 3.008 ( -4.018 7.704 22.953) 24.543 3.352 ( -10.289 12.837 -0.897) 16.476 3.544 ( -23.168 10.826 -3.485) 25.809 3.957 ( 5.285 3.160 -2.652) 6.704 4.278 ( 3.066 -0.697 3.992) 5.082 4.635 ( -1.318 1.175 -5.582) 5.855 5.072 ( 8.456 -2.085 12.271) 15.048 5.584 ( 5.450 -3.688 -0.911) 6.643 5.601 ( 5.003 -3.077 4.004) 7.108 6.256 ( 6.505 -9.709 -2.986) 12.062 6.565 ( 9.138 -10.088 3.536) 14.063 6.721 ( 12.751 -8.185 -1.496) 15.226 6.872 ( 0.812 -16.312 -8.642) 18.477 7.237 ( -6.157 3.426 0.465) 7.061 7.739 ( 12.399 3.948 -1.656) 13.118 8.283 ( 0.097 1.769 -1.286) 2.189 8.524 ( -13.433 1.363 -2.583) 13.746 9.333 ( 0.496 3.015 -0.109) 3.058 9.539 ( 3.564 -3.345 2.976) 5.722 9.936 ( 7.186 0.237 -7.693) 10.530 10.403 ( -2.273 2.312 -0.632) 3.303 10.791 ( -11.621 -0.813 7.636) 13.929 11.526 ( 2.034 -1.140 0.529) 2.391 11.702 ( -6.954 4.784 -1.886) 8.649 12.075 ( 0.852 17.575 2.414) 17.760 12.272 ( -12.392 4.169 0.150) 13.075 12.790 ( 0.553 3.764 0.028) 3.805 12.910 ( 0.571 5.039 -2.853) 5.819 13.661 ( -7.832 0.430 2.257) 8.162 14.544 ( 1.134 2.992 -2.275) 3.926 15.116 ( 0.438 -6.406 6.536) 9.162 15.354 ( 1.243 -0.971 -3.707) 4.029 16.096 ( 3.486 -5.771 4.534) 8.124 16.381 ( -2.741 4.407 -0.743) 5.243 16.525 ( 6.245 -3.510 -9.552) 11.940 ======================= Grid point 519 (254/300) ======================= q-point: (-0.18 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -5.122 14.983 11.294) 19.449 2.636 ( -20.376 34.461 9.303) 41.100 3.222 ( -7.956 2.776 -1.992) 8.659 3.276 ( 0.030 -2.640 10.611) 10.934 3.952 ( 1.506 7.545 -2.447) 8.073 4.288 ( -0.617 1.699 0.968) 2.050 4.671 ( 3.808 -6.524 -3.523) 8.336 5.291 ( 6.284 -1.135 13.810) 15.215 5.703 ( 3.940 -5.120 -0.297) 6.467 5.728 ( 4.839 -3.846 0.486) 6.200 6.344 ( 1.650 -2.192 -6.655) 7.198 6.738 ( 2.189 -6.636 5.916) 9.156 7.020 ( 2.105 -19.213 -7.442) 20.711 7.076 ( -0.421 -10.021 -4.934) 11.178 7.158 ( 11.311 -4.554 3.872) 12.793 7.895 ( 13.220 3.681 -4.208) 14.353 8.206 ( -4.866 5.767 -1.608) 7.715 8.270 ( -13.255 2.171 -1.254) 13.490 9.320 ( 1.070 3.112 0.437) 3.320 9.677 ( 5.759 -4.735 3.524) 8.247 9.994 ( 4.876 0.281 -6.916) 8.466 10.320 ( -2.963 4.642 0.811) 5.567 10.581 ( -14.637 6.514 3.237) 16.345 11.498 ( -7.808 2.832 -2.138) 8.576 11.607 ( 5.464 0.303 -1.438) 5.658 11.873 ( -10.002 7.191 4.210) 13.019 12.140 ( 5.486 14.697 0.369) 15.692 12.456 ( -12.976 19.498 -0.452) 23.426 13.165 ( 13.655 -9.380 -0.829) 16.587 13.533 ( -8.419 -0.632 0.359) 8.450 14.500 ( -0.367 5.246 -1.289) 5.414 15.200 ( -0.514 -6.446 1.793) 6.710 15.376 ( 1.981 0.036 0.003) 1.981 16.176 ( 0.626 -1.359 2.399) 2.827 16.291 ( -2.223 4.198 -0.602) 4.789 16.678 ( 6.246 -11.281 -3.889) 13.468 ======================= Grid point 520 (255/300) ======================= q-point: (-0.09 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 2.985 11.065 7.076) 13.469 2.134 ( -1.551 31.737 6.296) 32.393 3.095 ( -0.609 2.574 -2.633) 3.733 3.405 ( 0.808 -5.078 9.961) 11.210 3.860 ( -0.487 9.180 -1.542) 9.322 4.283 ( -0.437 -0.721 1.033) 1.333 4.767 ( 2.248 -5.842 -4.166) 7.519 5.440 ( 3.115 0.171 9.960) 10.437 5.769 ( 0.510 -3.023 -4.910) 5.788 5.837 ( 1.417 -5.574 1.239) 5.883 6.318 ( -1.034 -0.511 -5.273) 5.398 6.865 ( 3.236 -3.860 5.523) 7.475 6.946 ( -5.160 0.352 -1.785) 5.471 7.256 ( -1.524 -23.351 -3.146) 23.611 7.440 ( 2.377 -11.410 -1.270) 11.724 8.009 ( -8.642 5.393 -1.211) 10.258 8.042 ( 0.659 9.796 -1.659) 9.957 8.082 ( 7.045 0.587 -2.712) 7.571 9.309 ( 0.317 2.212 0.184) 2.242 9.807 ( 0.711 -3.168 4.109) 5.237 9.965 ( -7.888 -1.124 -0.205) 7.971 10.288 ( 0.438 4.592 -1.797) 4.951 10.333 ( 7.123 12.808 -2.383) 14.848 11.390 ( -1.336 1.595 -0.157) 2.087 11.641 ( -4.771 -1.673 1.744) 5.348 11.803 ( 6.724 0.809 0.140) 6.774 12.073 ( -9.337 14.490 3.012) 17.499 12.138 ( 8.821 16.937 -3.223) 19.367 13.359 ( -0.633 4.848 -1.274) 5.053 13.479 ( 0.620 -14.462 0.873) 14.502 14.431 ( 0.028 6.267 -0.872) 6.328 15.246 ( -0.830 -4.664 0.413) 4.755 15.405 ( 0.716 -0.101 0.794) 1.074 16.197 ( -0.106 -0.534 1.338) 1.444 16.232 ( -0.085 3.306 -0.326) 3.323 16.827 ( -0.473 -10.652 -0.920) 10.702 ======================= Grid point 523 (256/300) ======================= q-point: ( 0.18 0.18 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 21.697 -0.000 -3.580) 21.990 3.191 ( 5.007 -0.000 -15.737) 16.515 3.555 ( -8.464 0.000 3.570) 9.186 3.831 ( 20.880 -0.000 0.910) 20.900 4.145 ( -9.008 0.000 -8.919) 12.676 4.223 ( 25.268 -0.000 3.199) 25.469 4.497 ( -0.541 0.000 4.656) 4.688 4.819 ( -16.322 0.000 -4.975) 17.064 5.510 ( -7.761 0.000 -2.606) 8.187 5.542 ( 0.012 -0.000 -11.728) 11.728 6.187 ( -21.153 0.000 -2.676) 21.321 6.233 ( -9.030 0.000 0.245) 9.033 6.591 ( -5.847 0.000 -5.690) 8.159 7.076 ( 3.029 -0.000 11.831) 12.213 7.124 ( -0.075 0.000 -1.527) 1.529 7.467 ( -1.092 0.000 4.845) 4.966 8.410 ( 2.798 -0.000 4.368) 5.187 8.671 ( 2.881 -0.000 -4.944) 5.722 9.239 ( 1.777 -0.000 -1.167) 2.126 9.417 ( -4.602 0.000 -0.263) 4.610 9.757 ( -3.732 0.000 6.687) 7.658 10.501 ( 4.264 -0.000 1.298) 4.457 11.020 ( -5.183 0.000 4.452) 6.833 11.424 ( -7.553 0.000 -3.102) 8.165 11.554 ( 6.288 -0.000 -2.512) 6.771 12.256 ( 14.797 -0.000 -0.096) 14.797 12.517 ( -6.997 0.000 6.743) 9.717 12.680 ( 5.137 -0.000 2.479) 5.704 13.113 ( 20.425 -0.000 -8.103) 21.974 14.039 ( 11.509 -0.000 6.411) 13.174 14.279 ( -8.842 0.000 1.874) 9.039 15.188 ( -1.532 0.000 -6.632) 6.807 15.332 ( -3.566 0.000 6.462) 7.380 16.001 ( -17.128 0.000 -5.000) 17.843 16.302 ( 5.739 -0.000 0.884) 5.806 16.448 ( 5.803 -0.000 -0.969) 5.884 ======================= Grid point 524 (257/300) ======================= q-point: ( 0.27 0.18 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 16.875 1.058 -2.412) 17.080 3.223 ( 8.047 -0.746 -11.871) 14.361 3.433 ( -7.403 0.239 2.463) 7.806 3.902 ( -6.989 5.873 -5.644) 10.733 4.123 ( 6.779 -4.076 -0.083) 7.911 4.505 ( -4.445 -1.988 0.321) 4.880 4.563 ( 1.014 -6.730 2.430) 7.227 4.657 ( 8.495 -0.711 3.743) 9.310 5.328 ( -12.478 1.214 1.878) 12.677 5.458 ( -0.184 0.587 -16.078) 16.090 5.891 ( -10.866 0.437 -5.636) 12.249 6.108 ( -4.177 1.372 3.050) 5.351 6.507 ( -0.680 2.007 -6.123) 6.480 7.062 ( -1.652 3.836 -1.882) 4.581 7.244 ( 5.942 -3.394 6.933) 9.741 7.465 ( -0.528 3.531 5.520) 6.574 8.417 ( -0.530 6.966 2.761) 7.512 8.709 ( 0.031 -8.902 -3.436) 9.542 9.284 ( 2.886 -2.214 -1.351) 3.880 9.367 ( -1.751 -0.660 -0.240) 1.887 9.731 ( -2.483 0.664 4.435) 5.126 10.552 ( 0.895 0.289 1.480) 1.754 10.960 ( -5.312 0.224 5.685) 7.784 11.271 ( -10.488 -3.792 -2.337) 11.394 11.650 ( 6.246 0.430 0.202) 6.264 12.388 ( 6.279 11.002 0.607) 12.682 12.531 ( 4.880 -4.502 4.190) 7.851 12.816 ( 3.797 -4.714 5.112) 7.923 13.326 ( 12.697 1.588 -8.217) 15.208 14.103 ( -11.671 1.008 3.078) 12.112 14.281 ( 9.887 -2.028 5.749) 11.615 15.113 ( -3.333 4.673 -4.914) 7.556 15.265 ( -9.508 -4.916 4.595) 11.649 15.771 ( -5.503 0.555 -5.499) 7.799 16.410 ( 7.006 1.114 0.725) 7.131 16.536 ( 4.921 -1.340 -1.961) 5.464 ======================= Grid point 525 (258/300) ======================= q-point: ( 0.36 0.18 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( -5.640 3.340 7.140) 9.693 3.314 ( 8.131 4.036 -3.398) 9.693 3.404 ( 5.574 -0.360 -5.890) 8.117 3.752 ( 0.020 3.937 -3.706) 5.407 4.122 ( -6.737 -0.981 -1.046) 6.888 4.477 ( -3.166 -2.240 3.754) 5.398 4.646 ( -0.946 -10.130 2.487) 10.474 4.849 ( 5.145 -8.186 -0.153) 9.670 5.153 ( -9.785 -0.897 6.932) 12.025 5.388 ( 4.087 0.898 -15.082) 15.652 5.734 ( -4.166 1.165 -7.000) 8.229 6.137 ( 5.277 1.156 6.124) 8.166 6.432 ( 0.247 6.543 -6.094) 8.945 6.965 ( -4.588 1.579 -4.661) 6.728 7.380 ( 0.726 -3.452 3.002) 4.632 7.478 ( 7.609 9.294 6.811) 13.808 8.329 ( -1.893 6.718 0.165) 6.982 8.775 ( -3.862 -12.058 -0.803) 12.686 9.333 ( 1.311 -1.850 -1.395) 2.662 9.377 ( 1.856 -1.665 -0.714) 2.594 9.727 ( 0.860 0.197 0.969) 1.311 10.534 ( -2.836 1.686 1.382) 3.577 10.921 ( -4.584 -2.531 6.242) 8.147 11.160 ( -7.944 -7.944 -0.698) 11.257 11.749 ( 6.822 4.023 3.997) 8.871 12.383 ( 8.568 14.343 0.600) 16.719 12.675 ( 3.801 -3.390 0.712) 5.142 12.914 ( -0.243 -3.411 5.260) 6.274 13.422 ( 6.163 3.062 -4.879) 8.436 13.912 ( -13.513 -1.970 4.761) 14.461 14.465 ( 8.821 -0.170 -0.563) 8.841 14.916 ( -12.061 4.459 5.407) 13.949 15.235 ( -2.497 -7.693 -4.012) 9.029 15.726 ( 2.001 0.590 -3.114) 3.749 16.502 ( 6.235 2.440 -1.310) 6.822 16.600 ( 2.659 -1.422 -2.738) 4.073 ======================= Grid point 526 (259/300) ======================= q-point: (-0.55 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( -8.306 4.724 10.334) 14.075 3.214 ( -6.715 12.346 4.375) 14.719 3.545 ( 10.670 -1.254 -4.231) 11.546 3.781 ( 6.464 2.518 -2.555) 7.393 4.031 ( -5.627 -3.604 1.067) 6.767 4.402 ( -8.486 -3.322 1.367) 9.215 4.733 ( 0.051 -4.828 2.222) 5.315 5.000 ( -0.386 -7.984 -1.603) 8.153 5.150 ( 2.922 -8.490 6.729) 11.221 5.406 ( 6.843 -1.018 -10.717) 12.756 5.639 ( -1.458 2.079 -4.438) 5.113 6.261 ( 5.330 5.937 3.412) 8.678 6.347 ( 2.434 3.352 -0.743) 4.209 6.843 ( -5.397 -0.475 -6.470) 8.439 7.388 ( -3.144 -1.859 3.366) 4.967 7.587 ( 10.569 9.726 4.655) 15.099 8.267 ( 1.056 2.653 -2.236) 3.627 8.774 ( -8.813 -10.153 -0.573) 13.456 9.372 ( 1.656 -2.366 -0.491) 2.929 9.406 ( 0.538 -0.388 -1.036) 1.230 9.772 ( 5.288 0.061 -2.662) 5.920 10.471 ( -2.602 1.440 0.513) 3.018 10.909 ( -6.121 -3.187 8.054) 10.606 11.173 ( -1.807 -12.380 -0.305) 12.514 11.836 ( 6.743 7.748 6.512) 12.162 12.412 ( 11.277 14.723 1.070) 18.576 12.679 ( -2.993 1.465 -4.078) 5.266 12.919 ( -5.598 -0.335 1.751) 5.875 13.410 ( -1.319 4.198 1.990) 4.829 13.788 ( -8.013 -2.455 6.085) 10.357 14.543 ( 4.404 0.768 -9.114) 10.152 14.804 ( -6.359 -2.600 15.572) 17.020 15.255 ( 0.589 -6.275 -7.468) 9.772 15.757 ( 3.149 -0.482 -1.455) 3.502 16.547 ( 4.577 3.508 -4.508) 7.319 16.610 ( -0.434 -0.332 -3.506) 3.549 ======================= Grid point 527 (260/300) ======================= q-point: (-0.45 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -11.169 14.212 7.405) 19.533 3.079 ( -4.012 6.701 15.188) 17.079 3.645 ( 1.805 3.767 -1.963) 4.616 3.807 ( 1.985 -0.631 -5.021) 5.436 4.054 ( 1.338 -6.421 3.198) 7.297 4.321 ( -5.780 2.996 3.046) 7.187 4.761 ( -0.264 0.018 0.577) 0.635 4.956 ( -4.260 0.372 0.296) 4.286 5.388 ( 8.518 -7.340 -1.864) 11.397 5.503 ( 5.734 0.652 1.742) 6.028 5.655 ( 5.349 -11.267 -2.576) 12.736 6.237 ( 3.906 2.738 -3.127) 5.703 6.470 ( 5.503 -2.416 6.242) 8.665 6.736 ( -4.175 -2.508 -8.024) 9.386 7.356 ( -4.689 -0.848 2.568) 5.413 7.686 ( 8.507 6.773 4.155) 11.641 8.287 ( 5.134 1.322 -4.068) 6.682 8.677 ( -11.733 -6.670 -1.714) 13.604 9.383 ( -2.389 -1.855 0.116) 3.027 9.429 ( 2.571 -0.019 0.123) 2.574 9.861 ( 8.688 1.078 -5.249) 10.208 10.441 ( -0.559 -0.118 -0.568) 0.806 10.862 ( -8.103 -1.459 9.182) 12.332 11.303 ( 1.889 -12.867 -0.056) 13.005 11.885 ( 3.818 8.492 5.439) 10.783 12.470 ( 8.898 13.331 1.866) 16.136 12.564 ( -0.207 6.881 -3.526) 7.735 12.731 ( -14.434 1.331 -2.221) 14.664 13.343 ( -3.174 7.238 2.842) 8.398 13.739 ( -4.997 -0.259 7.883) 9.337 14.551 ( 2.558 -0.773 -5.176) 5.825 14.877 ( -1.743 -6.291 12.779) 14.350 15.285 ( 2.284 -4.470 -8.222) 9.633 15.826 ( 3.591 -3.780 0.290) 5.222 16.535 ( 2.301 4.273 -6.318) 7.967 16.557 ( -2.542 0.543 -5.283) 5.888 ======================= Grid point 528 (261/300) ======================= q-point: (-0.36 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -8.599 18.151 9.440) 22.193 3.086 ( -1.298 3.539 17.927) 18.319 3.508 ( -7.294 6.252 -3.298) 10.157 3.805 ( -3.844 6.080 -2.703) 7.684 4.098 ( -5.080 15.152 -0.654) 15.994 4.199 ( 4.305 -6.468 3.502) 8.523 4.699 ( -4.804 3.975 -2.742) 6.812 5.006 ( 6.101 -5.098 6.495) 10.266 5.527 ( 5.333 -2.471 -2.509) 6.391 5.577 ( 3.951 1.503 6.825) 8.028 5.960 ( 9.467 -19.920 -1.600) 22.113 6.357 ( 7.275 -10.258 -1.365) 12.650 6.602 ( 2.826 -5.123 -3.049) 6.598 6.686 ( 1.610 -3.696 -2.814) 4.917 7.277 ( -6.362 0.703 1.614) 6.601 7.792 ( 7.199 2.154 2.774) 8.009 8.333 ( 4.958 3.177 -4.088) 7.169 8.508 ( -12.600 -3.031 -2.561) 13.210 9.372 ( 0.567 0.223 -0.170) 0.633 9.477 ( 1.876 -2.011 1.926) 3.358 9.958 ( 8.214 1.948 -6.053) 10.388 10.432 ( -0.211 0.480 -0.870) 1.016 10.777 ( -9.758 -0.630 8.589) 13.015 11.441 ( 2.841 -7.245 -0.282) 7.787 11.827 ( -3.884 7.772 0.654) 8.713 12.361 ( -13.958 9.233 -0.198) 16.737 12.454 ( 6.127 14.809 2.434) 16.210 12.683 ( 8.121 -4.030 -0.924) 9.113 13.168 ( -7.337 13.573 0.197) 15.430 13.699 ( -3.778 3.216 6.155) 7.906 14.575 ( 1.978 0.162 -2.200) 2.963 14.979 ( -1.310 -7.796 7.290) 10.753 15.321 ( 2.639 -2.591 -5.131) 6.324 15.958 ( 4.411 -7.897 2.949) 9.514 16.463 ( -3.459 3.205 -1.194) 4.864 16.488 ( 0.907 0.256 -11.739) 11.777 ======================= Grid point 529 (262/300) ======================= q-point: (-0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -2.438 19.539 9.576) 21.895 3.138 ( -3.404 6.184 19.361) 20.607 3.305 ( -8.403 5.381 -4.053) 10.769 3.429 ( -7.353 29.596 -2.400) 30.590 4.025 ( 1.260 0.943 -0.947) 1.837 4.344 ( 4.504 -0.178 1.188) 4.662 4.567 ( -3.559 -0.931 -4.414) 5.746 5.231 ( 6.895 -6.212 10.165) 13.764 5.602 ( 0.738 -3.197 4.294) 5.405 5.682 ( 5.926 -1.204 -1.033) 6.135 6.228 ( 4.682 -12.603 -3.709) 13.946 6.578 ( 3.342 -12.214 4.427) 13.415 6.622 ( -2.032 -14.926 -10.112) 18.143 6.880 ( 11.615 -7.611 -0.682) 13.903 7.172 ( -5.123 0.915 1.822) 5.514 7.903 ( 5.158 -1.659 0.361) 5.430 8.300 ( -7.921 1.591 -1.961) 8.314 8.331 ( -0.988 5.786 -3.687) 6.932 9.383 ( 1.957 3.192 0.261) 3.753 9.570 ( 3.472 -5.992 2.421) 7.336 10.006 ( 2.402 1.042 -4.239) 4.982 10.414 ( 1.828 4.933 -0.344) 5.272 10.652 ( -9.562 1.037 4.358) 10.559 11.506 ( -0.927 -1.700 -1.351) 2.361 11.682 ( -1.950 6.558 -1.412) 6.986 12.048 ( -11.076 10.601 2.596) 15.550 12.459 ( 9.366 16.933 2.049) 19.459 12.823 ( -5.304 13.900 -0.242) 14.880 12.945 ( 4.141 -6.234 -0.369) 7.493 13.611 ( -3.474 7.374 1.658) 8.318 14.576 ( 0.708 2.494 -1.120) 2.824 15.062 ( -1.021 -7.981 2.549) 8.440 15.362 ( 1.966 -1.578 -1.130) 2.763 16.118 ( 2.827 -5.760 4.635) 7.916 16.375 ( -2.298 3.991 -0.635) 4.649 16.467 ( 0.394 -8.593 -9.372) 12.721 ======================= Grid point 530 (263/300) ======================= q-point: (-0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 2.540 18.121 5.793) 19.193 2.840 ( -2.426 38.177 7.563) 38.994 3.173 ( -0.479 5.981 -1.596) 6.209 3.326 ( 1.834 -1.262 4.326) 4.865 4.010 ( -1.309 3.739 0.527) 3.996 4.321 ( 0.898 6.821 -1.184) 6.981 4.611 ( 1.257 -10.275 -3.287) 10.861 5.418 ( 2.673 -4.024 8.932) 10.155 5.662 ( -1.841 -6.358 2.251) 6.991 5.762 ( 4.023 -1.531 -4.319) 6.098 6.294 ( -0.355 -2.892 -5.600) 6.313 6.738 ( 1.275 -12.301 3.952) 12.983 6.758 ( -2.343 -22.152 -2.453) 22.410 6.974 ( -2.791 -0.580 -1.917) 3.435 7.233 ( 2.592 -9.508 0.500) 9.867 7.979 ( -0.091 -3.762 -1.395) 4.014 8.161 ( -2.107 4.229 -0.346) 4.737 8.239 ( 1.523 9.555 -2.823) 10.079 9.367 ( -0.062 3.787 0.397) 3.808 9.701 ( 1.586 -7.553 1.406) 7.845 9.958 ( -6.428 0.517 2.084) 6.777 10.393 ( 1.222 6.433 -1.331) 6.682 10.548 ( 4.965 7.265 -2.589) 9.172 11.449 ( -1.108 3.425 -0.111) 3.601 11.630 ( -2.443 1.497 -0.300) 2.881 11.895 ( 3.416 8.426 1.596) 9.231 12.388 ( -6.814 17.308 4.283) 19.088 12.536 ( 7.280 24.082 -4.800) 25.612 13.159 ( -0.635 -17.644 0.768) 17.672 13.495 ( 1.086 9.332 -1.079) 9.456 14.541 ( 0.086 4.635 -0.746) 4.696 15.130 ( -0.585 -7.272 1.044) 7.370 15.394 ( 0.476 -1.141 0.055) 1.237 16.185 ( 0.309 -0.707 2.027) 2.169 16.311 ( -0.182 4.531 -0.333) 4.547 16.558 ( -1.832 -16.663 -2.362) 16.928 ======================= Grid point 531 (264/300) ======================= q-point: (-0.09 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 5.730 15.505 0.123) 16.531 2.693 ( 21.966 32.803 4.191) 39.700 3.176 ( 7.303 3.023 -0.124) 7.905 3.388 ( -0.345 -4.513 1.240) 4.693 3.919 ( -3.075 7.475 1.149) 8.164 4.297 ( 1.789 2.757 -0.212) 3.293 4.682 ( -1.169 -7.837 -4.491) 9.108 5.486 ( -1.753 -3.034 -0.523) 3.543 5.653 ( -6.554 -4.181 0.606) 7.798 5.793 ( 0.034 -2.794 -4.241) 5.079 6.281 ( -0.017 -1.442 -1.968) 2.440 6.811 ( -4.253 -7.197 -1.113) 8.433 6.899 ( -4.403 -14.809 4.871) 16.199 6.994 ( -2.130 -13.038 1.742) 13.325 7.238 ( -8.238 -5.134 -3.505) 10.320 7.851 ( -12.409 6.078 -0.445) 13.825 8.174 ( 5.813 6.108 1.702) 8.602 8.279 ( 11.801 0.117 -2.505) 12.064 9.326 ( -1.009 2.581 -0.110) 2.773 9.733 ( -5.086 -5.397 -1.588) 7.584 9.839 ( -8.358 2.249 7.425) 11.404 10.335 ( 1.156 5.315 -0.807) 5.499 10.685 ( 20.390 6.118 -6.494) 22.256 11.451 ( 4.133 4.730 2.938) 6.934 11.571 ( -2.887 -0.752 1.680) 3.424 11.969 ( 8.590 7.472 -4.635) 12.292 12.094 ( -3.445 12.782 3.886) 13.797 12.500 ( 13.476 20.715 -3.886) 25.017 13.148 ( -14.557 -9.115 0.618) 17.187 13.546 ( 9.038 -0.146 -0.951) 9.089 14.491 ( 0.219 5.423 -0.484) 5.449 15.195 ( 0.081 -5.765 1.773) 6.032 15.392 ( -1.666 -0.676 -0.915) 2.017 16.194 ( -0.374 -0.290 0.736) 0.875 16.285 ( 2.293 4.069 -0.043) 4.670 16.630 ( -8.140 -14.446 0.684) 16.596 ======================= Grid point 535 (265/300) ======================= q-point: ( 0.27 0.27 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( -5.849 0.000 6.885) 9.034 3.336 ( 12.329 -0.000 -7.378) 14.368 3.421 ( 6.831 -0.000 -3.652) 7.746 3.801 ( -0.829 0.000 -5.259) 5.324 4.110 ( -7.655 0.000 -0.615) 7.679 4.468 ( 1.739 -0.000 7.785) 7.976 4.501 ( -6.053 0.000 -0.088) 6.054 4.785 ( 3.573 -0.000 0.378) 3.593 5.143 ( -10.900 0.000 6.559) 12.722 5.399 ( 3.980 -0.000 -16.834) 17.299 5.744 ( -3.385 0.000 -7.429) 8.164 6.144 ( 3.732 -0.000 7.079) 8.003 6.498 ( 2.028 -0.000 -6.213) 6.536 6.987 ( -5.588 0.000 -5.470) 7.820 7.340 ( 1.137 -0.000 4.287) 4.436 7.581 ( 8.832 -0.000 6.619) 11.037 8.462 ( -2.702 0.000 4.434) 5.192 8.584 ( -4.755 0.000 -4.880) 6.813 9.312 ( 2.243 -0.000 -1.289) 2.587 9.360 ( 1.899 -0.000 -1.231) 2.263 9.730 ( 0.127 -0.000 2.070) 2.074 10.540 ( -3.276 0.000 1.431) 3.575 10.916 ( -5.083 0.000 7.395) 8.974 11.075 ( -8.070 0.000 -1.799) 8.269 11.792 ( 8.295 -0.000 4.923) 9.646 12.576 ( 6.452 -0.000 2.393) 6.881 12.586 ( 5.305 -0.000 -1.047) 5.407 12.882 ( 1.849 -0.000 7.418) 7.645 13.453 ( 7.908 -0.000 -7.312) 10.770 13.888 ( -15.628 0.000 5.329) 16.512 14.463 ( 8.931 -0.000 1.223) 9.014 14.993 ( -18.867 0.000 8.546) 20.712 15.127 ( 2.873 -0.000 -8.106) 8.600 15.732 ( 1.980 -0.000 -3.825) 4.307 16.530 ( 6.375 -0.000 -0.611) 6.404 16.582 ( 3.225 -0.000 -3.446) 4.719 ======================= Grid point 536 (266/300) ======================= q-point: (-0.64 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( -7.227 1.528 7.873) 10.795 3.412 ( -2.529 6.852 1.569) 7.470 3.529 ( 12.646 -0.688 -2.293) 12.871 3.842 ( 7.652 2.992 -4.231) 9.242 3.971 ( -8.495 -2.230 0.819) 8.821 4.355 ( -8.921 -1.225 -1.515) 9.131 4.599 ( 1.421 -7.220 10.180) 12.561 4.836 ( 3.704 -4.588 -4.137) 7.203 5.078 ( -3.402 -1.339 7.138) 8.020 5.400 ( 6.761 0.053 -13.770) 15.340 5.673 ( -0.408 0.950 -6.290) 6.374 6.277 ( 5.402 -0.439 9.662) 11.078 6.479 ( 2.072 5.216 -5.883) 8.131 6.843 ( -7.091 0.111 -6.675) 9.739 7.348 ( -3.066 -1.529 4.350) 5.538 7.766 ( 11.642 6.744 4.616) 14.224 8.353 ( -3.040 7.141 -0.895) 7.813 8.551 ( -7.729 -12.314 -0.369) 14.543 9.327 ( -0.740 -1.639 -0.540) 1.877 9.407 ( 4.182 0.231 -1.612) 4.488 9.775 ( 5.616 0.136 -1.704) 5.871 10.476 ( -5.037 -0.574 1.036) 5.174 10.875 ( -4.979 -0.133 8.179) 9.576 11.014 ( -1.467 -4.527 -0.669) 4.806 11.952 ( 8.103 3.629 7.635) 11.710 12.602 ( 3.918 5.360 -0.384) 6.651 12.687 ( 1.855 -0.761 -1.305) 2.392 12.929 ( -0.950 0.858 5.075) 5.234 13.493 ( 1.673 4.500 -2.099) 5.240 13.721 ( -9.253 -4.164 8.033) 12.942 14.555 ( 4.478 0.409 -9.949) 10.917 14.780 ( -12.748 -0.205 17.013) 21.260 15.156 ( 3.570 -3.326 -8.246) 9.581 15.755 ( 2.573 0.052 -2.722) 3.746 16.589 ( 2.086 0.582 -5.226) 5.657 16.605 ( 2.596 0.329 -2.382) 3.538 ======================= Grid point 537 (267/300) ======================= q-point: (-0.55 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -6.457 4.201 8.292) 11.318 3.277 ( -3.987 12.212 7.021) 14.640 3.703 ( 8.467 1.984 0.882) 8.741 3.834 ( -3.665 3.202 -4.326) 6.511 3.928 ( -1.457 -6.222 2.398) 6.825 4.307 ( 2.324 -2.685 -0.328) 3.566 4.719 ( 0.101 -3.700 8.484) 9.256 4.936 ( 1.825 -3.268 -3.873) 5.386 5.153 ( 4.682 -11.126 3.165) 12.479 5.466 ( 8.852 -1.347 -9.158) 12.808 5.641 ( 1.520 2.126 -2.593) 3.681 6.359 ( -1.908 6.877 -0.258) 7.141 6.444 ( 4.754 1.077 4.743) 6.801 6.702 ( -5.558 -1.818 -7.185) 9.264 7.327 ( -4.573 -1.784 4.094) 6.392 7.841 ( 3.699 9.186 5.754) 11.453 8.314 ( 5.721 1.494 -5.596) 8.141 8.512 ( -10.066 -9.981 0.100) 14.176 9.317 ( -3.157 -3.560 0.628) 4.799 9.458 ( 3.940 1.871 -0.672) 4.413 9.888 ( 10.931 1.535 -5.142) 12.177 10.419 ( -3.590 -2.108 0.207) 4.168 10.840 ( -6.570 -0.836 9.370) 11.475 11.099 ( 5.144 -7.521 -0.486) 9.125 12.036 ( 2.589 6.364 4.846) 8.408 12.610 ( 2.067 4.795 1.891) 5.553 12.643 ( -5.665 0.441 -2.380) 6.160 12.867 ( -1.433 8.548 0.096) 8.668 13.449 ( -1.001 5.487 5.576) 7.886 13.729 ( -1.556 -1.804 8.228) 8.566 14.526 ( 0.276 -1.516 -6.305) 6.491 14.776 ( -3.572 -3.960 12.969) 14.023 15.204 ( 4.076 -3.598 -8.746) 10.298 15.781 ( 1.740 -1.175 -1.579) 2.628 16.553 ( -2.032 -0.423 -6.393) 6.722 16.605 ( 1.286 2.637 -4.597) 5.453 ======================= Grid point 538 (268/300) ======================= q-point: (-0.45 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -6.007 12.300 7.263) 15.496 3.191 ( -0.786 8.497 12.117) 14.821 3.631 ( -7.642 6.613 -2.422) 10.392 3.830 ( 4.271 0.052 0.107) 4.273 4.029 ( 2.995 -9.478 1.324) 10.028 4.372 ( 3.275 7.086 -1.082) 7.881 4.742 ( -5.026 1.525 4.551) 6.949 4.936 ( 2.866 -0.613 1.434) 3.263 5.404 ( 6.887 -13.454 -3.227) 15.456 5.631 ( 9.636 -3.570 1.781) 10.429 5.664 ( 5.039 -1.263 -1.010) 5.292 6.249 ( -2.548 0.211 -2.014) 3.254 6.525 ( -0.832 -3.219 -3.506) 4.832 6.653 ( 2.737 -1.176 0.850) 3.098 7.270 ( -6.575 -1.141 2.642) 7.177 7.839 ( 0.674 3.129 5.183) 6.091 8.390 ( 7.396 2.505 -6.526) 10.177 8.418 ( -9.268 -5.965 -0.680) 11.043 9.318 ( -1.365 -4.588 1.018) 4.893 9.495 ( 3.201 2.604 0.499) 4.156 10.010 ( 9.453 3.614 -5.543) 11.539 10.408 ( -0.131 -3.231 -1.157) 3.435 10.772 ( -8.771 0.137 9.263) 12.757 11.292 ( 8.720 -7.483 -0.513) 11.501 11.962 ( -5.175 5.874 -0.693) 7.859 12.451 ( -16.022 -1.988 -2.637) 16.359 12.602 ( 4.147 9.328 4.788) 11.275 12.835 ( 8.741 11.935 1.811) 14.904 13.374 ( -4.162 8.324 2.076) 9.535 13.770 ( 0.923 3.969 10.571) 11.329 14.549 ( 2.105 -2.785 -2.086) 4.067 14.838 ( -2.114 -6.518 6.943) 9.755 15.258 ( 3.684 -3.796 -7.167) 8.908 15.833 ( 2.071 -4.829 0.362) 5.267 16.467 ( -4.037 -0.405 -6.967) 8.062 16.549 ( -0.793 3.370 -5.709) 6.676 ======================= Grid point 539 (269/300) ======================= q-point: (-0.36 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -1.543 17.054 7.200) 18.576 3.200 ( -0.019 4.443 12.578) 13.340 3.426 ( -6.639 7.362 -3.417) 10.486 3.872 ( 2.074 6.051 3.079) 7.099 4.165 ( -1.917 13.197 -4.966) 14.230 4.219 ( 2.517 -2.196 1.269) 3.573 4.634 ( -5.070 3.133 -1.105) 6.061 5.085 ( 5.802 -6.671 6.172) 10.782 5.555 ( 3.519 -5.047 -2.466) 6.628 5.713 ( 4.243 4.770 7.353) 9.738 5.901 ( 5.805 -16.487 -2.050) 17.599 6.310 ( 2.916 -13.451 -1.553) 13.851 6.466 ( -4.726 -5.425 -8.828) 11.389 6.798 ( 9.520 -2.198 3.555) 10.398 7.170 ( -7.739 -0.966 1.073) 7.872 7.868 ( 0.537 -1.542 2.990) 3.407 8.294 ( -7.611 -1.712 -0.956) 7.859 8.437 ( 4.657 4.758 -5.410) 8.579 9.378 ( 2.096 -5.015 0.950) 5.517 9.518 ( 1.916 2.035 1.115) 3.009 10.041 ( 1.032 2.919 -2.414) 3.926 10.473 ( 7.544 -0.133 -3.559) 8.342 10.654 ( -10.427 0.930 7.204) 12.708 11.466 ( 5.806 -2.313 -1.346) 6.393 11.802 ( -5.203 5.418 -1.766) 7.716 12.198 ( -11.992 2.174 0.035) 12.187 12.644 ( 4.927 4.107 4.736) 7.973 12.887 ( 8.170 10.336 1.762) 13.293 13.183 ( -5.786 14.074 -0.474) 15.224 13.778 ( 1.555 9.768 6.133) 11.638 14.591 ( 1.519 -0.779 -1.140) 2.052 14.906 ( -1.349 -8.126 2.836) 8.712 15.312 ( 2.026 -3.776 -3.185) 5.339 15.955 ( 3.114 -9.713 3.312) 10.725 16.361 ( -4.549 -1.488 -7.549) 8.938 16.465 ( -1.644 3.453 -4.059) 5.577 ======================= Grid point 540 (270/300) ======================= q-point: (-0.27 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 2.435 18.859 4.309) 19.497 3.221 ( -2.265 4.491 10.702) 11.825 3.270 ( -0.686 5.871 -0.851) 5.972 3.701 ( 2.655 35.220 -1.597) 35.356 4.004 ( -2.652 -1.719 0.267) 3.171 4.387 ( 2.699 -12.171 -1.544) 12.561 4.513 ( -0.398 9.432 -2.300) 9.717 5.261 ( 1.166 -10.369 4.349) 11.305 5.601 ( -1.081 -1.484 2.422) 3.040 5.777 ( 4.898 3.155 0.298) 5.834 6.108 ( 0.381 -18.248 -2.221) 18.386 6.402 ( -3.676 -9.488 -7.900) 12.882 6.499 ( 0.224 -15.057 2.708) 15.301 6.972 ( 2.784 -0.064 -0.184) 2.791 7.093 ( -1.281 -5.544 1.214) 5.818 7.913 ( 1.140 -2.997 0.224) 3.214 8.211 ( -1.738 1.238 0.249) 2.148 8.393 ( 0.181 6.632 -3.669) 7.581 9.432 ( -0.271 1.322 0.707) 1.524 9.557 ( 0.960 -5.490 0.580) 5.604 9.985 ( -4.074 2.359 2.205) 5.199 10.506 ( -6.331 4.004 2.259) 7.824 10.607 ( 11.023 1.030 -4.801) 12.067 11.492 ( -0.314 1.722 -0.890) 1.964 11.699 ( -1.691 4.571 -0.505) 4.900 12.065 ( 0.940 6.749 1.441) 6.965 12.659 ( -4.324 7.868 5.985) 10.790 12.911 ( -2.193 -2.783 1.429) 3.821 12.984 ( 7.670 21.146 -5.678) 23.199 13.709 ( 2.108 13.132 0.198) 13.301 14.596 ( 0.134 1.196 -0.809) 1.450 14.980 ( -0.425 -8.284 1.275) 8.393 15.354 ( 0.167 -3.336 -0.741) 3.421 16.131 ( 2.422 -9.199 6.800) 11.694 16.276 ( -4.910 -6.986 -7.143) 11.133 16.397 ( -0.421 3.593 -1.564) 3.941 ======================= Grid point 541 (271/300) ======================= q-point: (-0.18 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 4.658 18.949 -1.158) 19.547 3.214 ( 5.942 8.982 9.112) 14.107 3.267 ( 2.262 3.789 3.618) 5.706 3.471 ( 10.391 27.303 -7.860) 30.253 3.981 ( -4.210 -0.552 2.899) 5.141 4.401 ( -0.455 2.475 -4.451) 5.113 4.534 ( 3.968 -2.912 -0.931) 5.009 5.344 ( -5.232 -11.142 -0.526) 12.321 5.589 ( -4.431 -2.186 3.466) 6.035 5.794 ( 2.797 2.748 -7.277) 8.266 6.199 ( -2.905 -9.797 -2.238) 10.460 6.479 ( -3.254 -20.403 1.843) 20.743 6.610 ( -4.998 -13.177 1.691) 14.195 6.902 ( -6.060 -1.516 -2.120) 6.596 7.188 ( 3.174 -1.555 0.520) 3.573 7.916 ( -4.679 1.060 -1.307) 4.972 8.251 ( 7.093 1.616 3.270) 7.976 8.314 ( 1.099 3.848 -2.875) 4.927 9.379 ( -2.711 2.862 0.764) 4.016 9.611 ( -2.297 -6.828 -1.536) 7.366 9.894 ( -6.810 3.296 6.085) 9.709 10.414 ( -1.192 2.820 -0.308) 3.077 10.768 ( 14.330 2.609 -6.529) 15.962 11.491 ( 1.964 -0.771 0.394) 2.147 11.635 ( -0.165 6.497 2.674) 7.028 12.102 ( 11.633 7.898 -1.942) 14.194 12.419 ( -10.064 17.558 4.780) 20.795 12.887 ( 0.680 3.394 -4.035) 5.316 12.944 ( 1.869 6.513 -1.706) 6.987 13.650 ( 6.117 9.874 -2.305) 11.842 14.569 ( -0.789 2.530 -0.493) 2.696 15.066 ( 0.733 -7.555 1.820) 7.805 15.365 ( -1.778 -2.462 -1.045) 3.212 16.195 ( -0.503 0.208 -1.043) 1.177 16.311 ( -5.702 -16.409 4.044) 17.836 16.370 ( 1.651 3.123 -0.177) 3.537 ======================= Grid point 542 (272/300) ======================= q-point: (-0.09 0.27 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 11.740 14.774 -4.163) 19.324 3.293 ( 5.727 3.784 5.997) 9.114 3.323 ( 6.456 7.747 -4.441) 11.019 3.485 ( 23.623 15.012 -2.490) 28.100 3.898 ( -5.881 3.477 3.088) 7.498 4.372 ( 2.024 2.006 -4.746) 5.536 4.581 ( -0.101 -1.253 -0.917) 1.555 5.283 ( -10.491 -7.817 -7.336) 14.999 5.536 ( -6.908 -2.775 3.436) 8.199 5.752 ( 0.215 0.512 -8.991) 9.008 6.226 ( -2.868 -7.960 -0.732) 8.492 6.560 ( -14.964 -15.894 2.335) 21.955 6.653 ( -3.093 -12.723 4.511) 13.849 6.829 ( -4.917 -6.794 -3.130) 8.952 7.238 ( 4.569 3.888 0.767) 6.048 7.716 ( -12.152 7.375 0.043) 14.215 8.266 ( 0.294 1.165 0.452) 1.284 8.479 ( 13.251 -0.771 1.362) 13.343 9.329 ( -0.944 1.923 0.411) 2.181 9.597 ( -3.819 -3.747 -2.559) 5.931 9.784 ( -6.726 2.521 6.915) 9.970 10.394 ( 1.340 2.421 0.155) 2.772 10.936 ( 11.065 -0.161 -6.065) 12.619 11.541 ( -0.312 -1.070 -0.828) 1.388 11.635 ( 7.846 6.405 4.209) 10.968 12.111 ( -4.003 18.700 -0.222) 19.125 12.288 ( 15.094 2.233 -1.435) 15.326 12.807 ( -11.390 -7.378 0.114) 13.571 12.892 ( 8.978 17.570 -3.201) 19.989 13.702 ( 8.830 3.702 -1.917) 9.765 14.519 ( -1.930 3.163 0.092) 3.706 15.168 ( 2.127 -5.985 2.706) 6.904 15.330 ( -3.610 -1.539 -2.258) 4.528 16.182 ( -0.721 -2.637 -3.112) 4.143 16.338 ( -8.523 -8.395 4.969) 12.954 16.385 ( 1.690 1.639 1.705) 2.907 ======================= Grid point 547 (273/300) ======================= q-point: (-0.64 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -5.086 0.000 7.150) 8.774 3.417 ( -2.687 0.000 4.528) 5.265 3.720 ( 9.337 -0.000 2.755) 9.735 3.842 ( -5.834 0.000 1.548) 6.035 3.893 ( -2.493 0.000 -3.242) 4.090 4.277 ( 3.797 -0.000 -3.611) 5.240 4.663 ( 2.418 -0.000 14.130) 14.335 4.878 ( 8.459 -0.000 -6.740) 10.816 5.065 ( -2.141 0.000 4.477) 4.963 5.455 ( 8.630 -0.000 -10.925) 13.922 5.662 ( 1.917 -0.000 -3.697) 4.165 6.394 ( 1.322 -0.000 8.233) 8.338 6.516 ( 2.790 -0.000 -2.639) 3.840 6.668 ( -8.632 0.000 -7.895) 11.697 7.307 ( -4.463 0.000 4.921) 6.644 7.961 ( 1.674 -0.000 5.266) 5.525 8.357 ( 1.685 -0.000 -7.218) 7.412 8.358 ( -5.580 0.000 3.129) 6.397 9.279 ( -3.315 0.000 0.394) 3.338 9.479 ( 4.324 -0.000 -0.384) 4.341 9.906 ( 12.690 -0.000 -5.570) 13.859 10.390 ( -5.359 0.000 0.756) 5.412 10.832 ( -6.165 0.000 9.317) 11.172 11.030 ( 6.061 -0.000 -0.716) 6.103 12.100 ( 1.601 -0.000 3.626) 3.964 12.641 ( -8.756 0.000 -2.317) 9.057 12.665 ( 4.339 -0.000 3.816) 5.779 12.941 ( -0.922 0.000 3.081) 3.216 13.540 ( 0.994 -0.000 -3.689) 3.821 13.680 ( 0.305 -0.000 16.190) 16.192 14.509 ( -1.951 0.000 -6.608) 6.890 14.738 ( -3.764 0.000 12.311) 12.874 15.167 ( 4.749 -0.000 -8.724) 9.933 15.772 ( 1.183 -0.000 -2.225) 2.520 16.547 ( -2.268 0.000 -5.583) 6.026 16.631 ( 1.421 -0.000 -5.038) 5.235 ======================= Grid point 549 (274/300) ======================= q-point: (-0.55 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -3.857 2.714 5.982) 7.617 3.376 ( -1.200 7.836 7.426) 10.862 3.742 ( -6.286 4.854 -0.255) 7.946 3.837 ( 0.867 -1.107 5.122) 5.311 3.862 ( 2.266 -5.945 -2.468) 6.824 4.384 ( 8.420 -1.750 -2.668) 9.005 4.795 ( 2.545 2.617 13.118) 13.616 4.968 ( 3.945 3.658 -3.467) 6.400 5.121 ( 5.099 -12.538 -2.138) 13.703 5.569 ( 11.094 -1.400 -6.849) 13.113 5.696 ( 4.259 0.936 0.146) 4.363 6.330 ( -8.347 5.076 0.027) 9.769 6.482 ( -6.074 -1.135 -6.224) 8.771 6.620 ( 4.970 -2.012 3.677) 6.502 7.248 ( -6.507 -0.813 3.515) 7.441 7.904 ( -5.808 2.848 5.376) 8.411 8.305 ( -6.396 -4.333 2.173) 8.025 8.427 ( 9.889 1.042 -7.962) 12.738 9.245 ( -2.126 -2.323 1.038) 3.316 9.537 ( 3.510 1.379 0.798) 3.855 10.087 ( 13.445 3.674 -6.787) 15.503 10.326 ( -3.760 -4.158 -0.199) 5.610 10.779 ( -6.767 0.403 9.384) 11.576 11.188 ( 11.555 -2.985 -0.723) 11.956 12.037 ( -6.572 1.993 -2.643) 7.358 12.407 ( -16.816 -1.415 -3.080) 17.154 12.792 ( 7.824 8.291 9.374) 14.759 12.953 ( 2.402 0.524 3.344) 4.150 13.490 ( -2.517 3.610 -1.520) 4.656 13.835 ( 5.972 2.313 15.340) 16.623 14.486 ( 0.662 -2.752 -0.744) 2.926 14.753 ( -1.842 -2.195 4.520) 5.352 15.198 ( 3.794 -1.910 -8.647) 9.634 15.777 ( 0.212 -1.298 -0.896) 1.591 16.461 ( -4.271 -0.178 -5.649) 7.084 16.594 ( -1.023 1.247 -6.301) 6.504 ======================= Grid point 550 (275/300) ======================= q-point: (-0.45 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( -1.698 7.003 4.650) 8.576 3.336 ( 0.543 8.989 8.530) 12.404 3.576 ( -4.779 8.367 -2.127) 9.868 3.882 ( -0.458 -1.708 5.806) 6.069 3.984 ( 3.629 -10.897 -2.258) 11.705 4.507 ( 7.704 2.366 -3.600) 8.827 4.710 ( -7.590 12.800 3.043) 15.189 5.036 ( 4.797 0.166 6.655) 8.206 5.337 ( 5.431 -15.160 -5.624) 17.057 5.745 ( 9.742 -1.186 -4.045) 10.614 5.799 ( 7.533 1.217 5.914) 9.654 6.144 ( -7.971 -1.917 -0.290) 8.204 6.364 ( -7.191 -5.638 -8.821) 12.701 6.769 ( 8.096 -1.149 4.970) 9.569 7.148 ( -8.081 -1.054 0.824) 8.191 7.851 ( -2.294 -0.291 3.836) 4.479 8.250 ( -5.064 -2.390 1.368) 5.764 8.505 ( 5.866 2.418 -6.643) 9.186 9.272 ( 0.519 -4.805 0.904) 4.916 9.574 ( 2.417 2.649 1.188) 3.777 10.121 ( 0.363 5.433 -1.590) 5.673 10.396 ( 5.109 -6.683 -3.201) 9.001 10.707 ( -4.646 3.543 6.128) 8.467 11.419 ( 12.191 -2.502 -1.130) 12.496 11.879 ( -6.692 2.718 -2.743) 7.726 12.141 ( -15.556 -4.736 -2.004) 16.384 12.811 ( 2.422 11.394 6.270) 13.229 13.053 ( 5.668 4.656 6.811) 10.010 13.381 ( -2.211 6.898 -2.939) 7.817 13.960 ( 5.824 8.718 11.152) 15.307 14.550 ( 2.457 -3.352 -0.201) 4.160 14.772 ( -1.848 -5.380 1.379) 5.854 15.229 ( 1.567 -4.319 -6.366) 7.850 15.810 ( 0.498 -5.031 1.108) 5.176 16.356 ( -4.387 0.366 -5.237) 6.842 16.517 ( -2.069 1.856 -5.167) 5.867 ======================= Grid point 551 (276/300) ======================= q-point: (-0.36 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 2.190 11.125 2.499) 11.611 3.311 ( -0.138 7.108 7.223) 10.134 3.425 ( -1.403 9.386 -1.366) 9.588 3.925 ( -0.657 -2.574 4.693) 5.393 4.130 ( 1.796 -11.994 -3.309) 12.571 4.374 ( -3.008 27.719 -0.649) 27.889 4.607 ( 2.510 -0.366 -1.626) 3.013 5.127 ( 0.321 -2.522 4.775) 5.410 5.502 ( 2.354 -11.849 -5.021) 13.082 5.818 ( -4.023 -2.642 1.687) 5.100 5.886 ( 6.913 3.723 3.329) 8.528 6.199 ( -4.321 -14.307 2.499) 15.153 6.277 ( 0.541 -7.389 -10.442) 12.803 6.960 ( 9.944 -1.706 3.544) 10.694 7.022 ( -7.953 -1.590 -1.587) 8.264 7.868 ( 1.220 -1.674 1.381) 2.489 8.216 ( -1.379 -0.552 1.463) 2.085 8.490 ( -0.260 3.667 -4.440) 5.764 9.347 ( 0.702 -6.761 0.138) 6.799 9.571 ( -0.100 3.494 0.965) 3.626 10.049 ( -2.732 4.470 1.828) 5.548 10.467 ( -5.967 -6.272 3.163) 9.217 10.687 ( 9.471 6.088 -4.844) 12.257 11.530 ( 0.790 2.191 -1.856) 2.978 11.771 ( -2.308 2.837 -0.056) 3.657 12.048 ( -0.620 -7.765 0.217) 7.793 12.759 ( -1.370 8.577 5.301) 10.175 13.035 ( -5.449 8.582 7.671) 12.735 13.307 ( 8.853 12.666 -8.502) 17.637 13.972 ( 3.788 13.742 2.995) 14.566 14.593 ( 0.313 -1.306 -1.066) 1.715 14.824 ( -0.325 -7.985 1.121) 8.069 15.261 ( -0.908 -6.386 -2.315) 6.853 15.900 ( -0.400 -10.524 2.813) 10.901 16.262 ( -2.382 1.700 -3.546) 4.597 16.452 ( -0.816 1.962 -2.004) 2.921 ======================= Grid point 552 (277/300) ======================= q-point: (-0.27 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 4.551 15.998 -2.148) 16.771 3.283 ( -0.472 3.581 4.692) 5.922 3.368 ( 4.453 7.536 1.606) 8.900 3.922 ( -6.179 -0.121 0.898) 6.245 4.084 ( 5.893 24.269 0.453) 24.978 4.250 ( -1.513 -9.994 -2.582) 10.432 4.647 ( 6.930 6.367 -1.889) 9.599 5.143 ( -5.964 -7.834 0.577) 9.863 5.552 ( -2.567 -3.148 -1.791) 4.439 5.816 ( -3.660 -9.559 0.082) 10.236 5.941 ( -0.784 -3.348 -5.708) 6.664 6.197 ( -5.134 -12.290 3.196) 13.697 6.403 ( 2.181 -7.920 -0.359) 8.222 6.890 ( -6.226 -0.281 -4.362) 7.607 7.157 ( 8.221 -1.815 2.588) 8.808 7.915 ( 1.200 -0.610 -1.388) 1.934 8.255 ( 5.094 -0.718 2.993) 5.952 8.391 ( -4.623 3.588 -1.938) 6.165 9.390 ( -2.307 -3.618 -0.036) 4.291 9.532 ( -1.555 0.521 -0.171) 1.649 9.963 ( -5.692 4.094 4.800) 8.497 10.424 ( -3.430 -2.188 1.560) 4.358 10.807 ( 12.368 2.223 -7.488) 14.628 11.467 ( -4.216 -1.532 -1.322) 4.677 11.743 ( 2.162 4.437 3.396) 5.991 12.200 ( 11.203 -0.698 0.096) 11.225 12.644 ( -7.540 7.332 5.490) 11.865 12.865 ( -7.760 8.497 2.490) 11.773 13.286 ( 10.396 15.888 -9.560) 21.258 13.885 ( 3.605 14.116 -3.901) 15.082 14.584 ( -1.683 -0.806 -0.574) 1.952 14.919 ( 1.657 -7.770 1.700) 8.124 15.285 ( -2.813 -6.328 -0.725) 6.963 15.992 ( -5.135 -13.990 1.268) 14.956 16.230 ( 1.521 2.191 2.658) 3.765 16.432 ( 1.449 2.490 0.115) 2.883 ======================= Grid point 553 (278/300) ======================= q-point: (-0.18 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 8.115 17.168 -5.326) 19.722 3.283 ( 0.893 0.318 -0.310) 0.998 3.435 ( 8.063 5.355 3.441) 10.273 3.786 ( -3.402 5.197 0.227) 6.216 4.053 ( 10.122 16.364 1.684) 19.315 4.288 ( -1.698 -8.123 -5.302) 9.848 4.682 ( 6.718 8.791 -0.945) 11.104 5.098 ( -9.278 -10.603 -2.378) 14.288 5.492 ( -6.703 -1.881 1.090) 7.047 5.782 ( -1.430 1.616 -11.302) 11.507 5.947 ( -8.690 -20.167 -0.813) 21.975 6.275 ( -5.640 -11.547 4.867) 13.742 6.479 ( 0.323 -5.044 4.016) 6.455 6.782 ( -3.323 -0.371 -6.382) 7.205 7.285 ( 6.087 1.181 1.232) 6.321 7.833 ( -7.995 5.171 -1.346) 9.616 8.282 ( -4.245 0.702 0.660) 4.353 8.446 ( 12.059 -2.838 2.934) 12.731 9.359 ( -1.796 1.073 1.228) 2.426 9.520 ( -1.489 -3.695 -2.141) 4.522 9.843 ( -7.321 3.382 5.011) 9.494 10.420 ( 0.249 0.141 0.326) 0.434 10.936 ( 9.222 0.141 -6.665) 11.379 11.451 ( -1.465 -7.126 -1.167) 7.368 11.782 ( 5.535 7.216 4.337) 10.075 12.381 ( 12.851 7.025 -0.970) 14.678 12.455 ( -5.028 13.679 2.793) 14.839 12.665 ( -11.419 -1.595 0.682) 11.551 13.235 ( 7.844 16.119 -7.330) 19.367 13.827 ( 6.865 8.988 -5.879) 12.747 14.549 ( -3.079 -0.111 0.257) 3.091 15.043 ( 3.592 -6.853 2.549) 8.146 15.272 ( -4.416 -4.893 -1.810) 6.835 16.010 ( -7.111 -12.306 -1.446) 14.286 16.274 ( 0.404 1.179 8.210) 8.304 16.448 ( 3.346 3.017 0.417) 4.525 ======================= Grid point 554 (279/300) ======================= q-point: (-0.09 0.36 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 13.004 12.387 -5.548) 18.797 3.288 ( 2.023 0.330 -7.306) 7.588 3.510 ( 4.094 3.966 1.814) 5.982 3.742 ( -3.306 -2.216 4.335) 5.885 4.148 ( 19.870 14.237 0.046) 24.444 4.284 ( -1.559 -4.148 -6.748) 8.073 4.686 ( 3.839 7.887 0.591) 8.792 5.010 ( -8.521 -4.466 -3.916) 10.387 5.401 ( -7.750 -3.278 2.211) 8.700 5.675 ( -2.853 -0.953 -11.567) 11.951 5.980 ( -9.510 -17.784 -0.222) 20.169 6.236 ( -10.572 -7.538 0.531) 12.995 6.579 ( -0.628 -5.838 5.271) 7.891 6.722 ( -0.169 -1.912 -4.257) 4.670 7.355 ( 4.336 3.163 0.583) 5.399 7.588 ( -11.930 7.302 0.150) 13.988 8.243 ( -2.142 -2.014 1.209) 3.179 8.686 ( 11.364 -1.557 3.199) 11.908 9.346 ( 0.540 1.421 1.029) 1.836 9.510 ( -2.133 -2.081 -2.136) 3.667 9.743 ( -4.395 1.782 4.087) 6.260 10.423 ( 0.551 0.457 0.404) 0.822 11.022 ( 4.639 -0.431 -3.922) 6.090 11.520 ( 2.051 -5.562 -1.757) 6.183 11.798 ( 1.722 5.022 0.679) 5.352 12.195 ( -8.103 17.003 -2.013) 18.942 12.429 ( -0.690 -0.587 3.130) 3.259 12.715 ( 12.109 -2.078 1.323) 12.357 13.161 ( 4.913 14.317 -4.233) 15.717 13.876 ( 9.890 3.873 -4.740) 11.631 14.485 ( -4.960 0.921 1.488) 5.259 15.189 ( 5.013 -5.170 2.978) 7.793 15.214 ( -5.788 -3.631 -3.261) 7.571 15.982 ( -8.438 -10.203 -2.210) 13.424 16.290 ( -1.155 2.798 7.721) 8.293 16.485 ( 4.380 3.105 0.206) 5.373 ======================= Grid point 560 (280/300) ======================= q-point: (-0.55 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( -1.520 0.000 3.359) 3.687 3.445 ( -0.025 0.000 6.587) 6.587 3.735 ( -1.849 0.000 -2.789) 3.346 3.760 ( -2.196 0.000 4.868) 5.341 3.896 ( 1.277 -0.000 1.163) 1.727 4.486 ( 5.886 -0.000 -1.084) 5.985 4.962 ( 3.350 -0.000 12.134) 12.588 4.983 ( -3.649 0.000 0.292) 3.661 5.145 ( 10.703 -0.000 -9.474) 14.294 5.739 ( 14.367 -0.000 -4.048) 14.926 5.796 ( 6.478 -0.000 2.512) 6.948 6.178 ( -14.442 0.000 1.722) 14.545 6.283 ( -8.390 0.000 -9.468) 12.651 6.756 ( 7.791 -0.000 5.400) 9.479 7.137 ( -7.789 0.000 0.793) 7.829 7.850 ( -3.643 0.000 3.847) 5.298 8.224 ( -3.695 0.000 2.735) 4.597 8.528 ( 6.109 -0.000 -7.093) 9.361 9.223 ( 0.119 -0.000 0.796) 0.805 9.601 ( 2.452 -0.000 1.387) 2.817 10.220 ( -4.329 0.000 0.307) 4.340 10.282 ( 8.461 -0.000 -4.510) 9.588 10.747 ( -1.922 0.000 5.385) 5.718 11.390 ( 14.565 -0.000 -0.996) 14.599 11.904 ( -7.120 0.000 -3.169) 7.794 12.092 ( -17.674 0.000 -2.411) 17.838 12.960 ( -0.413 0.000 2.931) 2.960 13.066 ( 6.847 -0.000 13.707) 15.321 13.446 ( -0.804 0.000 -4.762) 4.830 14.057 ( 7.642 -0.000 13.010) 15.089 14.503 ( 2.754 -0.000 1.306) 3.048 14.721 ( -2.164 0.000 -0.754) 2.291 15.182 ( 0.978 -0.000 -8.005) 8.065 15.764 ( -0.517 0.000 0.612) 0.801 16.361 ( -4.015 0.000 -3.951) 5.633 16.534 ( -2.284 0.000 -5.942) 6.366 ======================= Grid point 562 (281/300) ======================= q-point: (-0.45 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 1.859 2.598 0.810) 3.296 3.453 ( 0.331 5.538 4.775) 7.320 3.618 ( -1.029 10.886 -0.272) 10.938 3.836 ( -2.281 -9.160 5.004) 10.684 3.937 ( 1.924 -4.745 -1.798) 5.426 4.545 ( -0.946 -2.319 0.060) 2.505 4.826 ( 0.502 17.861 -0.258) 17.869 5.094 ( -1.833 -5.560 7.887) 9.823 5.265 ( 5.142 -7.773 -9.492) 13.303 5.875 ( -1.935 6.362 -2.197) 7.003 5.952 ( -0.668 -0.459 6.617) 6.667 5.996 ( 6.289 -4.848 1.703) 8.121 6.134 ( -4.595 -6.368 -10.680) 13.256 6.922 ( 7.422 -1.389 4.150) 8.616 7.016 ( -5.140 0.189 -2.155) 5.577 7.848 ( 1.028 -0.501 1.931) 2.244 8.202 ( -1.120 -0.545 2.658) 2.935 8.535 ( -0.439 1.171 -4.878) 5.036 9.250 ( 0.925 -2.865 -0.239) 3.020 9.623 ( -0.001 1.549 1.074) 1.884 10.149 ( -1.385 5.369 1.081) 5.649 10.334 ( -5.252 -6.554 3.164) 8.975 10.784 ( 7.308 3.200 -4.076) 8.959 11.564 ( 1.883 1.076 -2.364) 3.208 11.806 ( -2.804 0.860 0.125) 2.936 11.897 ( -1.737 -5.386 -0.000) 5.659 12.933 ( -0.809 6.859 3.556) 7.768 13.134 ( -7.388 1.760 14.045) 15.967 13.468 ( 10.875 4.356 -11.342) 16.306 14.184 ( 4.844 7.135 5.412) 10.181 14.562 ( 1.381 -1.406 -0.612) 2.064 14.698 ( -1.031 -4.391 -0.224) 4.516 15.148 ( -2.654 -4.000 -4.097) 6.311 15.775 ( -0.875 -3.014 1.905) 3.672 16.295 ( -1.339 1.202 -1.743) 2.505 16.473 ( -1.322 0.393 -2.997) 3.299 ======================= Grid point 563 (282/300) ======================= q-point: (-0.36 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 5.193 5.745 -2.603) 8.170 3.405 ( -0.435 8.163 1.944) 8.403 3.531 ( 2.505 9.484 1.970) 10.005 3.877 ( -4.429 -4.122 5.130) 7.932 4.021 ( 1.284 -9.494 -4.204) 10.462 4.444 ( -7.680 6.485 1.995) 10.248 4.759 ( 8.249 9.593 -2.084) 12.822 5.082 ( -6.747 -0.769 2.822) 7.353 5.363 ( 0.328 -14.015 -7.604) 15.948 5.682 ( -12.210 -1.441 2.357) 12.518 5.944 ( -7.803 -3.192 -7.611) 11.358 6.077 ( 8.085 2.232 4.532) 9.533 6.276 ( 8.224 -6.110 -0.419) 10.254 6.883 ( -5.388 -0.491 -5.049) 7.400 7.126 ( 9.636 -1.154 2.891) 10.126 7.905 ( 4.134 -0.356 -0.730) 4.213 8.234 ( 2.680 -1.194 2.947) 4.158 8.442 ( -6.478 1.846 -1.673) 6.941 9.295 ( 0.592 -4.580 -1.281) 4.792 9.581 ( -2.978 2.850 0.638) 4.171 10.055 ( -6.232 5.766 4.484) 9.602 10.334 ( -2.728 -6.706 2.473) 7.650 10.860 ( 9.539 3.063 -8.013) 12.829 11.431 ( -10.840 -2.200 -2.280) 11.294 11.803 ( 2.778 2.082 4.192) 5.443 12.110 ( 14.377 -5.509 1.078) 15.434 12.834 ( -4.006 11.096 4.344) 12.572 13.023 ( -8.313 5.433 7.614) 12.514 13.515 ( 9.774 8.295 -13.789) 18.827 14.142 ( 1.736 11.720 -5.185) 12.933 14.550 ( -2.979 -2.334 -1.078) 3.935 14.783 ( 3.373 -6.269 1.409) 7.257 15.137 ( -4.769 -7.986 1.209) 9.380 15.804 ( -2.449 -5.846 2.208) 6.712 16.279 ( 1.828 2.607 1.610) 3.568 16.459 ( 0.957 0.493 0.437) 1.162 ======================= Grid point 564 (283/300) ======================= q-point: (-0.27 0.45 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 7.059 11.410 -6.119) 14.747 3.334 ( 0.367 5.721 -1.265) 5.871 3.552 ( 6.931 6.890 4.500) 10.759 3.806 ( -9.141 -0.117 3.306) 9.721 4.094 ( 0.009 -9.002 -4.858) 10.229 4.324 ( 0.097 5.763 2.319) 6.213 4.829 ( 9.184 5.288 -2.761) 10.951 4.952 ( -10.162 -2.557 -0.297) 10.483 5.428 ( -3.492 -9.152 -5.547) 11.257 5.562 ( -11.620 -13.039 4.166) 17.956 5.799 ( -6.411 -1.453 -9.263) 11.359 6.189 ( 4.548 2.402 2.703) 5.811 6.418 ( 3.921 -2.246 3.730) 5.859 6.781 ( -2.808 -0.148 -7.557) 8.064 7.289 ( 7.313 -0.546 1.228) 7.435 7.920 ( -1.451 4.140 -2.044) 4.840 8.296 ( -7.840 0.752 1.934) 8.110 8.375 ( 8.917 -4.292 2.751) 10.271 9.340 ( 1.055 -3.270 -0.914) 3.556 9.498 ( -3.972 1.601 0.121) 4.285 9.907 ( -8.591 3.350 4.374) 10.205 10.392 ( 1.815 -3.150 0.651) 3.693 10.942 ( 7.687 0.586 -7.256) 10.587 11.304 ( -7.885 -7.490 -1.728) 11.011 11.887 ( 6.267 3.832 5.751) 9.329 12.405 ( 14.767 -3.558 1.861) 15.303 12.649 ( -6.080 12.579 2.135) 14.134 12.839 ( -8.417 11.416 1.689) 14.284 13.479 ( 5.128 9.520 -10.658) 15.183 14.015 ( 2.938 9.989 -11.347) 15.400 14.516 ( -4.207 -3.068 0.724) 5.257 14.920 ( 5.434 -5.845 1.295) 8.085 15.141 ( -5.718 -8.329 1.794) 10.261 15.822 ( -4.106 -6.782 1.898) 8.153 16.316 ( 2.491 2.751 5.872) 6.947 16.488 ( 2.560 1.172 1.317) 3.108 ======================= Grid point 565 (284/300) ======================= q-point: (-0.18 0.45 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 8.562 13.789 -5.779) 17.229 3.306 ( 3.022 2.000 -6.020) 7.027 3.597 ( -2.631 5.116 2.914) 6.449 3.704 ( -2.042 -1.234 4.956) 5.501 4.138 ( -0.602 -7.051 -5.102) 8.724 4.353 ( 7.092 2.141 -0.253) 7.413 4.798 ( -3.852 2.597 -2.461) 5.257 4.946 ( 5.055 -0.860 0.449) 5.148 5.350 ( -8.630 -2.586 0.860) 9.050 5.580 ( -10.136 -19.657 -1.712) 22.182 5.676 ( -2.979 -1.814 -7.286) 8.078 6.186 ( -2.316 3.193 0.586) 3.988 6.515 ( 2.068 -1.311 4.855) 5.437 6.713 ( 0.204 -0.101 -7.550) 7.553 7.388 ( 4.771 0.525 -0.378) 4.815 7.739 ( -10.799 8.498 -0.484) 13.750 8.215 ( -3.496 -0.805 2.113) 4.164 8.617 ( 10.973 -5.577 3.763) 12.872 9.368 ( 0.411 0.944 1.464) 1.790 9.453 ( -1.460 -3.444 -1.984) 4.234 9.784 ( -5.208 2.208 2.377) 6.136 10.433 ( 1.208 0.344 0.223) 1.276 11.011 ( 4.849 -0.744 -5.195) 7.145 11.315 ( -1.777 -13.169 -1.154) 13.339 11.936 ( 1.338 7.561 1.024) 7.747 12.489 ( -0.515 7.661 2.718) 8.146 12.520 ( -12.898 12.901 -0.548) 18.251 12.695 ( 14.954 2.007 1.194) 15.135 13.395 ( 1.479 9.839 -5.408) 11.324 13.962 ( 7.565 4.782 -11.811) 14.819 14.472 ( -5.540 -2.260 2.444) 6.463 15.082 ( 4.121 -5.725 6.085) 9.315 15.118 ( -3.628 -6.248 -5.178) 8.889 15.819 ( -5.078 -6.417 1.296) 8.285 16.352 ( 0.446 3.491 7.653) 8.423 16.530 ( 3.423 1.535 0.488) 3.783 ======================= Grid point 566 (285/300) ======================= q-point: (-0.09 0.45 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 8.659 9.226 -3.061) 13.018 3.302 ( 3.033 2.422 -9.004) 9.805 3.480 ( -7.945 -1.260 2.567) 8.444 3.723 ( -1.972 -0.931 1.813) 2.836 4.156 ( 0.527 -3.719 -4.388) 5.776 4.503 ( 9.893 -1.949 -1.180) 10.152 4.729 ( -0.927 2.933 0.821) 3.184 5.030 ( 7.482 5.576 0.074) 9.332 5.254 ( -7.555 -3.994 3.855) 9.375 5.510 ( -6.635 -5.286 -8.427) 11.957 5.701 ( -2.693 -13.857 -0.604) 14.129 6.084 ( -6.071 3.605 -0.378) 7.071 6.489 ( -6.151 -1.135 -5.004) 8.010 6.760 ( 6.074 -1.463 2.260) 6.644 7.431 ( 0.872 3.206 -1.061) 3.488 7.476 ( -8.766 5.966 0.028) 10.603 8.202 ( -1.459 -1.527 2.525) 3.292 8.848 ( 8.523 -3.577 4.141) 10.128 9.368 ( -0.154 -0.133 0.684) 0.713 9.456 ( -0.933 -1.216 -1.792) 2.358 9.726 ( -1.079 1.278 0.721) 1.821 10.441 ( 1.157 1.205 0.144) 1.677 11.058 ( 2.494 -0.630 -1.729) 3.099 11.463 ( 3.600 -15.096 -0.949) 15.548 11.795 ( -5.789 7.395 -4.524) 10.424 12.128 ( -14.295 17.082 -2.340) 22.397 12.536 ( 6.691 2.747 6.167) 9.505 12.937 ( 12.776 -2.080 0.597) 12.958 13.281 ( -1.541 9.782 -1.642) 10.038 14.025 ( 9.789 1.114 -9.176) 13.463 14.404 ( -6.415 -0.471 4.146) 7.653 15.045 ( -7.766 -4.584 -0.225) 9.021 15.263 ( 8.144 -4.091 -0.336) 9.120 15.786 ( -6.093 -4.597 0.267) 7.637 16.355 ( -0.053 3.524 5.699) 6.701 16.573 ( 3.389 1.459 -0.336) 3.704 ======================= Grid point 573 (286/300) ======================= q-point: ( 0.55 -0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 5.200 -0.000 -2.805) 5.908 3.501 ( 0.181 -0.000 1.243) 1.256 3.699 ( 0.553 -0.000 0.684) 0.880 3.749 ( -2.160 0.000 4.890) 5.345 3.936 ( 1.440 -0.000 -1.481) 2.066 4.471 ( -6.809 0.000 0.382) 6.819 4.974 ( 3.130 -0.000 1.077) 3.311 4.981 ( -8.034 0.000 5.209) 9.575 5.219 ( -0.405 0.000 -10.748) 10.756 5.664 ( -15.348 0.000 2.252) 15.512 5.925 ( -5.323 0.000 -10.253) 11.552 6.123 ( 9.046 -0.000 6.145) 10.936 6.197 ( 12.306 -0.000 -0.524) 12.317 6.876 ( -4.821 0.000 -5.186) 7.081 7.116 ( 9.572 -0.000 2.691) 9.944 7.902 ( 5.154 -0.000 -0.329) 5.164 8.221 ( 1.675 -0.000 2.953) 3.395 8.460 ( -6.933 0.000 -1.604) 7.116 9.248 ( 1.328 -0.000 -1.631) 2.103 9.610 ( -2.967 0.000 0.566) 3.021 10.158 ( -13.003 0.000 6.638) 14.599 10.218 ( 4.140 -0.000 0.509) 4.171 10.896 ( 8.043 -0.000 -8.183) 11.474 11.403 ( -13.683 0.000 -2.323) 13.879 11.824 ( 2.876 -0.000 4.329) 5.197 12.053 ( 16.806 -0.000 1.317) 16.858 12.969 ( -0.866 0.000 1.862) 2.053 13.057 ( -10.877 0.000 12.336) 16.447 13.595 ( 9.760 -0.000 -16.315) 19.011 14.270 ( 0.930 -0.000 -5.557) 5.634 14.521 ( -4.024 0.000 -1.899) 4.450 14.712 ( 4.846 -0.000 1.352) 5.032 15.049 ( -5.717 0.000 3.022) 6.466 15.753 ( -1.463 0.000 2.192) 2.635 16.309 ( 2.048 -0.000 1.227) 2.387 16.461 ( 0.659 -0.000 0.664) 0.936 ======================= Grid point 575 (287/300) ======================= q-point: (-0.36 0.55 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 6.740 2.192 -6.156) 9.387 3.472 ( 0.088 6.021 -1.501) 6.206 3.681 ( 3.451 6.340 4.195) 8.349 3.783 ( -4.490 -3.583 4.787) 7.478 3.959 ( 1.362 -3.856 -4.521) 6.096 4.342 ( -8.262 -0.748 1.282) 8.394 4.851 ( -7.937 -0.820 5.170) 9.508 5.007 ( 0.631 4.946 -2.867) 5.752 5.174 ( -2.623 -10.904 -8.125) 13.848 5.465 ( -11.799 -1.955 2.000) 12.126 5.788 ( -4.438 0.318 -8.917) 9.965 6.284 ( 8.775 5.386 3.899) 11.009 6.374 ( 6.857 -2.705 2.671) 7.841 6.774 ( -3.071 -0.412 -8.389) 8.943 7.276 ( 7.916 -0.468 1.015) 7.994 7.987 ( 4.892 2.416 -1.575) 5.679 8.295 ( 2.198 -1.955 3.448) 4.532 8.314 ( -6.934 -0.398 1.076) 7.028 9.279 ( 2.606 -2.102 -2.246) 4.032 9.538 ( -5.226 1.564 0.852) 5.521 9.964 ( -11.715 2.185 5.000) 12.924 10.322 ( 5.031 -3.012 0.400) 5.877 10.956 ( 5.773 0.676 -7.807) 9.733 11.197 ( -11.070 -3.242 -1.618) 11.648 11.933 ( 6.494 1.165 6.665) 9.378 12.352 ( 16.324 -1.493 2.190) 16.538 12.875 ( -6.969 9.384 3.167) 12.110 12.966 ( -5.248 1.284 2.928) 6.145 13.595 ( 3.463 2.923 -14.310) 15.010 14.170 ( -0.863 5.304 -15.378) 16.290 14.455 ( -4.867 -2.547 0.930) 5.572 14.834 ( 7.591 -2.854 -1.095) 8.183 15.008 ( -6.190 -4.283 8.389) 11.271 15.747 ( -2.011 -1.686 2.420) 3.569 16.362 ( 3.233 1.604 3.819) 5.255 16.496 ( 1.879 -0.089 2.820) 3.390 ======================= Grid point 576 (288/300) ======================= q-point: (-0.27 0.55 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 7.458 4.785 -7.471) 11.590 3.395 ( 1.049 7.733 -3.773) 8.668 3.662 ( -11.831 0.839 4.337) 12.628 3.741 ( 3.484 5.476 4.993) 8.189 4.008 ( 1.923 -5.979 -4.768) 7.886 4.295 ( -0.946 -5.660 0.581) 5.768 4.780 ( -7.365 -3.743 5.419) 9.880 4.963 ( 3.571 1.074 -8.337) 9.133 5.220 ( -2.197 -11.808 -3.842) 12.610 5.323 ( -10.897 -3.425 4.502) 12.277 5.677 ( -3.042 0.724 -6.651) 7.349 6.318 ( 2.105 8.403 0.797) 8.699 6.511 ( 4.898 0.452 4.144) 6.432 6.698 ( -0.525 -1.634 -8.956) 9.119 7.385 ( 4.919 -0.554 -1.284) 5.114 7.899 ( -9.114 7.737 1.113) 12.007 8.221 ( -1.423 1.705 1.865) 2.900 8.486 ( 9.034 -7.898 2.709) 12.302 9.344 ( 3.246 -3.226 -1.782) 4.911 9.434 ( -5.816 1.419 1.405) 6.149 9.818 ( -6.095 1.351 1.872) 6.517 10.423 ( 4.185 -1.418 -0.050) 4.419 10.996 ( 3.757 -0.690 -5.843) 6.981 11.104 ( -5.117 -7.875 -0.966) 9.441 12.043 ( 3.818 3.581 3.863) 6.506 12.589 ( 6.545 0.550 2.712) 7.106 12.673 ( -5.240 8.526 -1.431) 10.110 12.854 ( -1.194 9.409 1.078) 9.546 13.523 ( -0.641 3.724 -7.062) 8.009 14.042 ( 3.566 3.338 -18.150) 18.796 14.413 ( -5.641 -3.339 4.060) 7.710 14.988 ( 2.596 -3.820 6.454) 7.936 15.002 ( 0.415 -5.106 -2.664) 5.774 15.741 ( -2.822 -2.205 2.550) 4.397 16.413 ( 1.715 2.727 6.126) 6.921 16.543 ( 2.096 0.002 1.822) 2.777 ======================= Grid point 577 (289/300) ======================= q-point: (-0.18 -0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 3.139 9.380 -2.404) 10.179 3.352 ( 3.819 3.184 -7.655) 9.128 3.460 ( -12.427 -0.642 3.238) 12.858 3.726 ( -4.494 1.047 2.902) 5.451 4.080 ( 3.863 -4.014 -3.511) 6.585 4.420 ( 7.991 -5.704 -0.402) 9.826 4.756 ( -0.772 -0.313 2.366) 2.508 4.997 ( -0.358 -8.322 -4.316) 9.381 5.205 ( -6.603 -1.833 5.063) 8.520 5.298 ( -1.792 -10.863 -2.722) 11.341 5.610 ( -0.692 0.328 -2.879) 2.979 6.232 ( -1.879 10.042 0.770) 10.246 6.491 ( -4.235 1.302 -7.023) 8.304 6.745 ( 6.261 -0.824 1.342) 6.456 7.440 ( 2.441 -0.731 -1.907) 3.183 7.642 ( -10.978 9.557 0.242) 14.557 8.207 ( 0.214 2.571 2.701) 3.735 8.729 ( 7.980 -8.601 3.591) 12.269 9.359 ( -3.320 -0.671 0.870) 3.497 9.409 ( 1.564 -3.213 -1.433) 3.850 9.754 ( -0.931 1.517 -0.620) 1.885 10.480 ( 3.243 1.969 -0.310) 3.807 11.024 ( 1.281 -2.780 -3.019) 4.300 11.178 ( 2.322 -12.322 -0.827) 12.566 11.964 ( -5.674 8.475 -4.633) 11.202 12.446 ( -11.424 14.688 -1.419) 18.662 12.596 ( 3.556 3.552 3.420) 6.079 12.914 ( 8.409 0.162 1.646) 8.570 13.425 ( -3.417 4.945 -1.863) 6.293 14.038 ( 9.077 0.071 -15.795) 18.218 14.374 ( -6.168 -2.281 6.808) 9.465 14.967 ( -6.513 -3.188 5.305) 8.985 15.176 ( 10.777 -4.800 -4.911) 12.779 15.722 ( -3.765 -2.179 2.156) 4.855 16.425 ( -0.661 3.665 5.880) 6.960 16.583 ( 1.864 -0.352 0.023) 1.897 ======================= Grid point 578 (290/300) ======================= q-point: (-0.09 -0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -6.242 2.975 5.445) 8.802 3.230 ( -11.146 -0.352 1.503) 11.252 3.433 ( 6.589 0.922 -8.374) 10.696 3.665 ( -1.645 0.259 0.578) 1.763 4.154 ( 3.227 -1.393 -2.315) 4.209 4.563 ( 3.092 -1.663 -0.874) 3.618 4.776 ( 2.072 -0.243 0.273) 2.104 5.054 ( -2.900 -11.846 1.742) 12.320 5.170 ( -5.671 -2.823 7.179) 9.575 5.362 ( 4.402 -3.630 -8.590) 10.312 5.650 ( 5.221 -3.915 1.774) 6.762 6.070 ( -6.029 11.152 0.123) 12.678 6.362 ( -2.760 1.757 -6.802) 7.548 6.873 ( 6.403 -0.675 2.843) 7.038 7.395 ( -6.879 8.470 -2.652) 11.229 7.465 ( 1.096 -0.026 -1.425) 1.797 8.208 ( 0.204 1.580 3.182) 3.558 8.926 ( 3.840 -7.069 3.680) 8.846 9.349 ( 0.112 -1.715 -0.060) 1.720 9.428 ( -0.871 -1.700 -1.727) 2.575 9.740 ( 1.860 1.799 -2.192) 3.391 10.490 ( 1.626 3.755 -0.278) 4.101 11.059 ( -0.254 -3.249 0.523) 3.300 11.383 ( 6.950 -15.487 -0.962) 17.002 11.741 ( -6.068 7.321 -5.480) 10.975 12.079 ( -10.936 19.559 -1.697) 22.473 12.673 ( 3.538 -0.060 3.053) 4.674 13.052 ( 5.112 -5.226 -0.585) 7.334 13.291 ( -6.193 6.116 0.826) 8.743 14.101 ( 3.767 0.745 -6.832) 7.838 14.349 ( -0.757 -1.460 3.160) 3.562 14.913 ( -5.357 -1.086 4.144) 6.859 15.366 ( 9.948 -3.129 -3.939) 11.148 15.686 ( -3.535 -1.535 1.471) 4.125 16.404 ( -0.725 2.525 2.861) 3.884 16.609 ( 0.969 -0.870 -1.286) 1.830 ======================= Grid point 586 (291/300) ======================= q-point: (-0.36 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 6.776 -0.000 -8.130) 10.584 3.493 ( 0.112 -0.000 -2.471) 2.473 3.668 ( -10.094 0.000 5.341) 11.420 3.813 ( 0.590 -0.000 4.541) 4.580 3.943 ( 3.392 -0.000 -5.341) 6.327 4.228 ( -2.736 0.000 1.181) 2.980 4.719 ( -8.108 0.000 7.878) 11.305 4.971 ( -3.413 0.000 -14.065) 14.473 5.108 ( 3.842 -0.000 0.436) 3.866 5.295 ( -10.144 0.000 3.398) 10.698 5.687 ( -2.840 0.000 -6.762) 7.334 6.416 ( 0.900 -0.000 0.761) 1.179 6.519 ( 9.773 -0.000 6.660) 11.826 6.670 ( -2.571 0.000 -11.471) 11.756 7.378 ( 4.963 -0.000 -1.718) 5.252 7.983 ( -10.478 0.000 3.850) 11.163 8.271 ( 5.541 -0.000 -0.285) 5.548 8.368 ( 4.673 -0.000 2.149) 5.144 9.306 ( 3.065 -0.000 -2.281) 3.821 9.454 ( -6.615 0.000 1.933) 6.891 9.832 ( -6.763 0.000 1.899) 7.025 10.403 ( 5.758 -0.000 -0.285) 5.765 10.989 ( 3.183 -0.000 -5.999) 6.791 11.031 ( -5.910 0.000 -0.855) 5.971 12.076 ( 4.660 -0.000 5.080) 6.894 12.588 ( 10.037 -0.000 2.681) 10.389 12.774 ( -8.935 0.000 -2.657) 9.322 12.945 ( -0.907 0.000 1.665) 1.896 13.552 ( -1.709 0.000 -7.772) 7.957 14.077 ( 0.986 -0.000 -20.869) 20.892 14.375 ( -5.227 0.000 5.073) 7.284 14.949 ( 10.418 -0.000 -6.474) 12.265 14.952 ( -5.778 0.000 11.895) 13.224 15.722 ( -2.166 0.000 2.729) 3.484 16.443 ( 2.504 -0.000 4.529) 5.176 16.540 ( 1.185 -0.000 3.235) 3.445 ======================= Grid point 587 (292/300) ======================= q-point: (-0.27 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( 6.873 1.351 -7.916) 10.570 3.443 ( -3.475 4.438 -0.787) 5.691 3.459 ( -15.522 0.430 3.353) 15.886 3.752 ( -7.601 1.178 4.470) 8.897 4.018 ( 6.737 -2.051 -3.324) 7.787 4.328 ( 10.153 -2.988 0.902) 10.622 4.705 ( -1.899 -4.179 7.850) 9.094 4.852 ( -3.909 -3.450 -13.811) 14.762 5.173 ( -8.634 -1.132 7.789) 11.683 5.188 ( 5.143 -2.167 -2.391) 6.072 5.623 ( -1.019 0.537 -2.738) 2.970 6.379 ( -3.393 3.968 0.682) 5.265 6.537 ( -2.542 3.015 -10.857) 11.551 6.718 ( 7.793 -1.751 4.728) 9.282 7.424 ( 2.115 -0.653 -3.046) 3.765 7.783 ( -11.909 4.218 3.554) 13.124 8.317 ( 4.356 8.959 1.157) 10.029 8.536 ( 6.375 -11.160 1.630) 12.956 9.336 ( -0.480 -1.525 -1.289) 2.053 9.369 ( -3.369 -0.540 1.662) 3.795 9.776 ( -0.194 0.667 -1.352) 1.520 10.494 ( 5.348 -0.189 -0.650) 5.391 10.982 ( 0.079 -0.432 -2.134) 2.179 11.027 ( 2.720 -4.411 -2.072) 5.581 12.078 ( -4.613 3.184 -2.952) 6.335 12.627 ( -4.499 4.515 -1.963) 6.669 12.658 ( -1.286 1.808 0.926) 2.404 12.949 ( 2.285 2.617 1.841) 3.932 13.469 ( -4.866 0.365 -1.975) 5.265 14.032 ( 8.189 -0.436 -19.542) 21.193 14.337 ( -5.494 -1.156 9.750) 11.251 14.934 ( -4.983 -0.521 10.520) 11.653 15.100 ( 12.339 -2.583 -9.734) 15.927 15.698 ( -3.064 -0.487 2.767) 4.157 16.483 ( 0.073 2.087 4.885) 5.312 16.566 ( 0.079 -1.017 1.016) 1.440 ======================= Grid point 588 (293/300) ======================= q-point: (-0.18 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -17.966 -0.412 8.339) 19.811 3.267 ( -12.425 3.517 2.357) 13.126 3.448 ( 8.986 0.516 -8.947) 12.691 3.690 ( 0.315 1.818 2.344) 2.983 4.132 ( 6.205 -0.833 -1.878) 6.536 4.519 ( 6.410 -2.464 -0.600) 6.894 4.750 ( -4.247 -5.808 -7.479) 10.378 4.789 ( -2.229 -8.844 5.335) 10.567 5.122 ( -5.562 -1.737 10.507) 12.015 5.304 ( 9.303 -2.227 -7.032) 11.872 5.630 ( 3.558 0.244 2.409) 4.304 6.237 ( -7.269 5.242 -1.828) 9.146 6.428 ( 0.651 4.633 -6.837) 8.284 6.869 ( 6.535 0.059 4.289) 7.816 7.429 ( -1.356 -1.532 -1.773) 2.708 7.584 ( -5.028 8.055 -2.724) 9.878 8.293 ( 1.679 7.843 2.780) 8.489 8.743 ( 3.434 -11.795 2.208) 12.482 9.315 ( -0.963 -1.420 0.412) 1.764 9.373 ( -1.352 -3.436 -0.415) 3.716 9.780 ( 3.468 2.007 -3.702) 5.455 10.556 ( 2.957 1.928 -0.698) 3.598 10.991 ( 0.591 -1.797 -0.847) 2.073 11.165 ( 7.526 -8.238 -0.789) 11.186 11.872 ( -9.125 5.793 -7.049) 12.904 12.415 ( -7.980 14.484 -2.043) 16.663 12.658 ( 0.173 -1.525 1.068) 1.870 12.976 ( 0.244 -2.256 -0.105) 2.271 13.357 ( -8.009 0.899 0.932) 8.114 14.109 ( 9.900 0.161 -12.510) 15.954 14.319 ( -4.231 -1.348 8.892) 9.939 14.914 ( -3.389 0.946 8.033) 8.769 15.294 ( 13.681 -3.901 -8.765) 16.710 15.665 ( -3.351 -0.697 2.864) 4.463 16.459 ( -2.223 3.138 2.897) 4.815 16.577 ( -0.849 -2.330 -0.871) 2.628 ======================= Grid point 589 (294/300) ======================= q-point: (-0.09 -0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -16.404 -3.826 12.347) 20.885 3.028 ( -16.605 -0.930 7.337) 18.178 3.542 ( 9.781 1.851 -8.975) 13.403 3.732 ( 5.185 3.506 1.884) 6.537 4.165 ( -2.116 0.107 -1.379) 2.528 4.565 ( 1.342 -2.163 0.370) 2.572 4.740 ( -8.383 -3.379 -1.287) 9.130 4.801 ( -8.417 -15.696 0.775) 17.827 5.169 ( 3.361 -0.308 10.427) 10.959 5.409 ( 6.364 0.278 -6.719) 9.259 5.798 ( 13.661 -1.077 3.239) 14.081 6.083 ( -0.807 8.423 -1.837) 8.658 6.393 ( 3.904 5.104 -2.492) 6.892 6.976 ( 4.549 0.728 1.571) 4.868 7.359 ( -3.195 3.633 -3.660) 6.067 7.478 ( 0.932 3.477 -3.733) 5.186 8.267 ( 0.758 4.990 2.950) 5.846 8.879 ( -0.955 -9.763 1.198) 9.883 9.340 ( -0.579 -4.336 0.203) 4.379 9.378 ( 0.247 -1.452 -0.188) 1.485 9.800 ( 4.967 3.143 -5.465) 8.025 10.537 ( -0.995 4.100 -0.672) 4.272 11.015 ( -1.341 -2.470 2.106) 3.512 11.396 ( 8.943 -10.563 -0.914) 13.870 11.667 ( -5.298 2.576 -3.505) 6.855 12.130 ( -4.496 19.283 -1.721) 19.875 12.661 ( -3.191 -3.223 -1.305) 4.720 13.011 ( -0.947 -8.085 -1.870) 8.353 13.192 ( -11.397 1.827 1.839) 11.688 14.101 ( -5.530 5.005 3.117) 8.084 14.377 ( 6.757 -3.686 -5.230) 9.306 14.909 ( -0.723 2.307 8.671) 9.002 15.463 ( 6.337 -0.806 -7.249) 9.662 15.676 ( 4.095 -1.067 3.620) 5.569 16.408 ( -1.624 1.108 -0.612) 2.058 16.572 ( -1.802 -3.127 -2.226) 4.240 ======================= Grid point 598 (295/300) ======================= q-point: (-0.27 -0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( -20.049 0.000 8.074) 21.614 3.308 ( -15.037 0.000 3.602) 15.462 3.453 ( 8.982 -0.000 -8.607) 12.440 3.711 ( 1.102 -0.000 3.282) 3.462 4.124 ( 7.798 -0.000 -1.650) 7.971 4.495 ( 9.024 -0.000 0.445) 9.035 4.621 ( -9.982 0.000 -4.869) 11.106 4.761 ( 1.137 -0.000 -0.139) 1.146 5.106 ( -5.035 0.000 11.636) 12.678 5.282 ( 10.226 -0.000 -6.301) 12.011 5.634 ( 2.988 -0.000 2.434) 3.854 6.281 ( -7.413 0.000 -3.866) 8.361 6.483 ( 0.710 -0.000 -6.558) 6.596 6.870 ( 6.830 -0.000 5.857) 8.997 7.411 ( -1.222 0.000 -2.755) 3.014 7.666 ( -5.537 0.000 -0.872) 5.606 8.487 ( 3.202 -0.000 3.537) 4.771 8.513 ( 2.584 -0.000 -0.508) 2.633 9.303 ( -2.435 0.000 -0.507) 2.487 9.332 ( -0.884 0.000 1.376) 1.636 9.802 ( 4.305 -0.000 -4.280) 6.070 10.564 ( 3.110 -0.000 -0.805) 3.213 11.011 ( 1.285 -0.000 -1.827) 2.234 11.058 ( 7.941 -0.000 -0.120) 7.942 11.932 ( -9.996 0.000 -7.566) 12.536 12.595 ( -5.230 0.000 -0.038) 5.230 12.603 ( -2.265 0.000 -2.383) 3.288 12.964 ( -2.379 0.000 -0.266) 2.393 13.354 ( -8.886 0.000 1.635) 9.035 14.110 ( 13.331 -0.000 -15.525) 20.463 14.306 ( -6.323 0.000 12.427) 13.943 14.929 ( -3.175 0.000 10.941) 11.392 15.250 ( 15.492 -0.000 -12.268) 19.761 15.659 ( -3.407 0.000 3.256) 4.713 16.507 ( -1.786 0.000 3.793) 4.192 16.537 ( -2.400 0.000 -1.629) 2.900 ======================= Grid point 599 (296/300) ======================= q-point: (-0.18 -0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -17.225 -1.207 14.452) 22.517 3.021 ( -21.537 -0.060 7.245) 22.723 3.566 ( 10.632 0.698 -9.355) 14.179 3.796 ( 6.487 2.372 4.515) 8.252 4.160 ( -5.999 -0.558 -3.464) 6.950 4.473 ( -5.667 -5.074 3.154) 8.235 4.606 ( 1.302 -4.302 -1.359) 4.695 4.706 ( -8.737 -0.532 -0.822) 8.791 5.168 ( 4.642 0.090 11.361) 12.273 5.410 ( 8.030 -0.053 -5.803) 9.908 5.791 ( 14.482 -0.016 4.251) 15.093 6.181 ( 0.490 2.342 -3.333) 4.103 6.474 ( 3.210 2.534 -3.463) 5.359 6.991 ( 4.597 0.617 4.375) 6.376 7.358 ( -3.319 -1.140 -3.712) 5.108 7.588 ( 0.411 4.436 -5.575) 7.137 8.419 ( 0.460 10.983 2.004) 11.173 8.658 ( -0.014 -13.017 1.225) 13.075 9.268 ( -2.561 -2.384 0.166) 3.503 9.351 ( 1.362 -0.979 1.130) 2.023 9.851 ( 6.096 1.713 -6.567) 9.123 10.576 ( -1.231 0.166 -0.752) 1.452 11.013 ( 1.091 1.901 0.467) 2.241 11.246 ( 10.151 -5.059 0.128) 11.343 11.717 ( -9.138 1.843 -5.935) 11.051 12.431 ( -4.422 11.799 -3.223) 13.006 12.585 ( -3.075 -5.035 -2.103) 6.264 12.899 ( -5.459 -3.205 -1.789) 6.578 13.199 ( -12.643 -0.545 3.695) 13.183 14.199 ( -2.097 5.217 1.435) 5.803 14.296 ( 5.294 -4.716 -4.178) 8.229 14.949 ( -0.528 1.442 9.829) 9.948 15.438 ( 11.008 -1.213 -10.243) 15.085 15.661 ( 3.585 -0.457 5.276) 6.395 16.445 ( -3.402 2.689 -1.292) 4.525 16.507 ( -3.248 -3.446 -0.792) 4.801 ======================= Grid point 600 (297/300) ======================= q-point: (-0.09 -0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -22.565 -2.113 9.453) 24.556 2.843 ( -11.391 -4.366 20.525) 23.877 3.650 ( 4.376 2.512 -7.686) 9.194 3.824 ( -4.398 2.008 0.079) 4.835 4.057 ( -2.172 -6.156 4.217) 7.772 4.315 ( -25.311 -6.258 0.642) 26.081 4.634 ( 2.887 -2.263 -1.736) 4.059 4.701 ( 4.446 -2.973 3.848) 6.589 5.332 ( 8.340 0.989 6.907) 10.874 5.484 ( 4.794 0.978 -1.294) 5.061 6.099 ( 19.810 2.983 1.767) 20.112 6.211 ( 8.015 5.179 -1.331) 9.635 6.516 ( 7.425 3.748 -0.699) 8.347 7.055 ( 3.309 2.111 -0.519) 3.959 7.299 ( -2.217 -1.976 -4.375) 5.288 7.527 ( 2.569 5.915 -6.162) 8.919 8.342 ( -0.697 6.690 1.744) 6.948 8.742 ( -4.118 -10.226 0.055) 11.024 9.269 ( -1.435 -4.232 0.148) 4.471 9.406 ( 3.066 -1.212 1.708) 3.713 9.885 ( 5.927 3.327 -8.104) 10.577 10.516 ( -4.119 1.385 -0.826) 4.424 11.008 ( -1.777 1.860 3.663) 4.476 11.432 ( 4.627 -4.651 -0.314) 6.568 11.588 ( -2.118 -3.381 -1.131) 4.147 12.209 ( -6.476 11.301 -3.645) 13.526 12.581 ( 1.553 0.559 -2.346) 2.868 12.844 ( -8.013 -9.377 -2.447) 12.575 12.991 ( -14.727 -1.272 2.771) 15.039 14.032 ( -11.214 5.007 2.836) 12.604 14.423 ( 7.061 -3.541 -7.160) 10.661 15.003 ( 2.514 2.166 9.487) 10.051 15.457 ( -0.943 0.237 -5.367) 5.454 15.866 ( 14.033 1.502 4.780) 14.901 16.374 ( -0.977 0.004 -3.907) 4.027 16.479 ( -3.114 -4.113 -2.492) 5.730 ======================= Grid point 610 (298/300) ======================= q-point: (-0.18 -0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -24.304 0.000 8.940) 25.896 2.791 ( -12.056 0.000 21.833) 24.941 3.687 ( 9.469 -0.000 -8.933) 13.018 3.841 ( -26.006 0.000 0.148) 26.006 3.975 ( 8.528 -0.000 7.384) 11.280 4.261 ( -21.582 0.000 -0.110) 21.582 4.596 ( 1.312 -0.000 -4.414) 4.605 4.692 ( 7.383 -0.000 6.883) 10.094 5.342 ( 8.547 -0.000 7.334) 11.262 5.491 ( 4.942 -0.000 -1.249) 5.098 6.129 ( 22.559 -0.000 3.051) 22.764 6.259 ( 7.463 -0.000 -1.987) 7.723 6.554 ( 8.414 -0.000 -2.285) 8.719 7.073 ( 2.325 -0.000 3.300) 4.036 7.273 ( -2.305 0.000 -6.874) 7.250 7.599 ( 2.607 -0.000 -7.493) 7.933 8.480 ( -3.581 0.000 -2.435) 4.330 8.567 ( -1.368 0.000 4.559) 4.760 9.224 ( -1.342 0.000 0.402) 1.401 9.393 ( 3.310 -0.000 1.735) 3.737 9.921 ( 6.317 -0.000 -8.540) 10.622 10.522 ( -4.583 0.000 -0.694) 4.635 11.038 ( -0.738 0.000 2.598) 2.701 11.379 ( 7.688 -0.000 1.147) 7.773 11.564 ( -6.502 0.000 -3.419) 7.347 12.321 ( -12.489 0.000 -6.250) 13.966 12.598 ( 8.790 -0.000 -1.645) 8.943 12.739 ( -9.610 0.000 -2.341) 9.891 12.976 ( -17.698 0.000 4.733) 18.320 14.089 ( -12.432 0.000 2.035) 12.597 14.380 ( 8.397 -0.000 -7.781) 11.448 15.024 ( 2.443 -0.000 8.860) 9.190 15.457 ( -0.434 0.000 -5.303) 5.320 15.880 ( 16.215 -0.000 5.557) 17.141 16.388 ( -1.390 0.000 -6.896) 7.034 16.424 ( -4.545 0.000 1.344) 4.740 ======================= Grid point 611 (299/300) ======================= q-point: (-0.09 -0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -23.267 -1.693 10.429) 25.553 2.768 ( -11.491 -4.685 24.507) 27.470 3.402 ( -27.078 -2.903 6.209) 27.932 3.773 ( 2.545 -1.149 -6.740) 7.295 3.873 ( -19.471 -0.821 -4.432) 19.986 4.153 ( 5.657 -1.652 7.400) 9.460 4.611 ( 3.543 -0.904 -5.602) 6.690 4.896 ( 9.842 0.923 11.561) 15.211 5.508 ( 8.550 0.855 2.642) 8.990 5.573 ( 5.184 0.451 1.979) 5.568 6.337 ( 4.643 2.030 -2.922) 5.850 6.505 ( 21.621 3.477 3.380) 22.158 6.731 ( 13.951 4.605 0.500) 14.700 7.120 ( 3.901 -0.672 -1.043) 4.093 7.217 ( -0.562 -1.107 -6.868) 6.979 7.589 ( 4.482 3.497 -8.807) 10.482 8.359 ( -4.809 3.980 -0.983) 6.319 8.574 ( -6.620 -6.413 1.847) 9.400 9.229 ( 0.243 -2.319 0.348) 2.357 9.479 ( 5.469 -0.203 2.580) 6.050 9.954 ( 5.286 2.234 -9.626) 11.207 10.428 ( -6.121 -0.617 -0.770) 6.200 10.989 ( -7.929 2.080 5.799) 10.041 11.467 ( 2.179 1.088 -0.369) 2.464 11.535 ( 2.729 -6.324 0.030) 6.887 12.036 ( -15.726 1.654 -5.315) 16.682 12.572 ( -14.164 -3.434 -1.770) 14.682 12.647 ( -16.383 -0.003 2.566) 16.582 12.799 ( 10.025 -1.401 -2.322) 10.386 13.876 ( -11.581 2.118 -0.210) 11.775 14.447 ( 2.989 -2.034 -4.926) 6.110 15.126 ( 4.606 1.101 7.371) 8.762 15.408 ( -1.880 0.297 -3.547) 4.025 16.119 ( 6.412 2.125 6.566) 9.420 16.353 ( -2.873 -0.276 -0.256) 2.897 16.420 ( 9.552 -2.065 -6.932) 11.982 ======================= Grid point 622 (300/300) ======================= q-point: (-0.09 -0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -19.366 0.000 10.645) 22.099 2.480 ( -32.991 0.000 16.546) 36.908 3.195 ( -3.988 0.000 17.495) 17.944 3.500 ( -18.625 0.000 -3.931) 19.036 3.796 ( 2.434 -0.000 -6.642) 7.074 4.249 ( 2.316 -0.000 4.712) 5.251 4.678 ( 7.273 -0.000 -4.025) 8.313 5.122 ( 7.904 -0.000 13.668) 15.789 5.654 ( 7.893 -0.000 -0.512) 7.909 5.688 ( 6.641 -0.000 3.394) 7.457 6.375 ( 2.613 -0.000 -5.755) 6.320 6.836 ( 9.654 -0.000 7.408) 12.169 6.954 ( 4.878 -0.000 0.779) 4.940 7.177 ( 10.225 -0.000 -4.744) 11.272 7.277 ( 13.608 -0.000 -5.650) 14.735 7.641 ( 7.259 -0.000 -11.232) 13.373 8.240 ( -9.377 0.000 -2.431) 9.687 8.434 ( -9.531 0.000 2.549) 9.866 9.236 ( 1.521 -0.000 0.476) 1.593 9.605 ( 7.298 -0.000 3.546) 8.114 9.990 ( 4.618 -0.000 -10.234) 11.228 10.311 ( -6.627 0.000 -0.687) 6.663 10.801 ( -20.869 0.000 6.653) 21.904 11.514 ( 4.205 -0.000 -4.601) 6.233 11.587 ( 5.820 -0.000 2.298) 6.257 11.753 ( -14.131 0.000 -2.466) 14.345 12.257 ( -24.607 0.000 3.174) 24.810 12.329 ( -13.272 0.000 -1.152) 13.322 13.038 ( 15.456 -0.000 -2.447) 15.648 13.729 ( -7.350 0.000 0.551) 7.371 14.428 ( -0.989 0.000 -2.999) 3.158 15.250 ( 5.154 -0.000 5.342) 7.423 15.362 ( -1.841 0.000 -2.600) 3.186 16.178 ( -0.149 0.000 2.777) 2.781 16.280 ( -3.977 0.000 -0.455) 4.003 16.650 ( 16.513 -0.000 -2.199) 16.658 =================== 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 3/39204 10.0 860.753 853.085 1022.046 -0.000 290.722 -0.000 3/39204 20.0 483.820 538.328 401.162 -0.000 51.482 -0.000 3/39204 30.0 214.946 237.549 159.537 -0.000 21.137 -0.000 3/39204 40.0 123.375 131.367 84.933 -0.000 10.629 -0.000 3/39204 50.0 82.769 86.151 53.943 -0.000 6.362 -0.000 3/39204 60.0 60.473 62.031 38.062 -0.000 4.267 -0.000 3/39204 70.0 46.689 47.414 28.785 -0.000 3.078 -0.000 3/39204 80.0 37.516 37.821 22.865 -0.000 2.334 -0.000 3/39204 90.0 31.083 31.160 18.835 -0.000 1.837 -0.000 3/39204 100.0 26.386 26.331 15.951 -0.000 1.488 -0.000 3/39204 110.0 22.843 22.708 13.806 -0.000 1.233 -0.000 3/39204 120.0 20.098 19.914 12.157 -0.000 1.041 -0.000 3/39204 130.0 17.921 17.706 10.857 -0.000 0.893 -0.000 3/39204 140.0 16.161 15.926 9.809 -0.000 0.776 -0.000 3/39204 150.0 14.712 14.466 8.948 -0.000 0.683 -0.000 3/39204 160.0 13.502 13.250 8.229 -0.000 0.606 -0.000 3/39204 170.0 12.478 12.223 7.619 -0.000 0.544 -0.000 3/39204 180.0 11.601 11.345 7.097 -0.000 0.491 -0.000 3/39204 190.0 10.842 10.587 6.644 -0.000 0.447 -0.000 3/39204 200.0 10.178 9.926 6.248 -0.000 0.409 -0.000 3/39204 210.0 9.594 9.344 5.898 -0.000 0.377 -0.000 3/39204 220.0 9.075 8.829 5.587 -0.000 0.349 -0.000 3/39204 230.0 8.611 8.370 5.309 -0.000 0.325 -0.000 3/39204 240.0 8.194 7.958 5.058 -0.000 0.303 -0.000 3/39204 250.0 7.817 7.585 4.830 -0.000 0.284 -0.000 3/39204 260.0 7.474 7.247 4.623 -0.000 0.268 -0.000 3/39204 270.0 7.162 6.939 4.434 -0.000 0.253 -0.000 3/39204 280.0 6.875 6.657 4.260 -0.000 0.239 -0.000 3/39204 290.0 6.611 6.398 4.100 -0.000 0.227 -0.000 3/39204 300.0 6.367 6.159 3.952 -0.000 0.216 -0.000 3/39204 310.0 6.141 5.938 3.815 -0.000 0.206 -0.000 3/39204 320.0 5.932 5.733 3.687 -0.000 0.197 -0.000 3/39204 330.0 5.736 5.541 3.567 -0.000 0.188 -0.000 3/39204 340.0 5.554 5.363 3.456 -0.000 0.181 -0.000 3/39204 350.0 5.383 5.196 3.351 -0.000 0.174 -0.000 3/39204 360.0 5.222 5.039 3.253 -0.000 0.167 -0.000 3/39204 370.0 5.071 4.892 3.160 -0.000 0.161 -0.000 3/39204 380.0 4.929 4.754 3.073 -0.000 0.156 -0.000 3/39204 390.0 4.795 4.623 2.990 -0.000 0.150 -0.000 3/39204 400.0 4.668 4.500 2.912 -0.000 0.145 -0.000 3/39204 410.0 4.548 4.383 2.838 -0.000 0.141 -0.000 3/39204 420.0 4.434 4.272 2.768 -0.000 0.136 -0.000 3/39204 430.0 4.325 4.167 2.701 -0.000 0.132 -0.000 3/39204 440.0 4.222 4.067 2.638 -0.000 0.129 -0.000 3/39204 450.0 4.124 3.972 2.577 -0.000 0.125 -0.000 3/39204 460.0 4.031 3.881 2.519 -0.000 0.122 -0.000 3/39204 470.0 3.941 3.794 2.464 -0.000 0.119 -0.000 3/39204 480.0 3.856 3.711 2.411 -0.000 0.115 -0.000 3/39204 490.0 3.774 3.632 2.361 -0.000 0.113 -0.000 3/39204 500.0 3.696 3.557 2.312 -0.000 0.110 -0.000 3/39204 510.0 3.621 3.484 2.266 -0.000 0.107 -0.000 3/39204 520.0 3.549 3.414 2.221 -0.000 0.105 -0.000 3/39204 530.0 3.480 3.347 2.178 -0.000 0.102 -0.000 3/39204 540.0 3.413 3.283 2.137 -0.000 0.100 -0.000 3/39204 550.0 3.350 3.221 2.097 -0.000 0.098 -0.000 3/39204 560.0 3.288 3.162 2.059 -0.000 0.096 -0.000 3/39204 570.0 3.229 3.105 2.022 -0.000 0.094 -0.000 3/39204 580.0 3.172 3.049 1.987 -0.000 0.092 -0.000 3/39204 590.0 3.116 2.996 1.952 -0.000 0.090 -0.000 3/39204 600.0 3.063 2.945 1.919 -0.000 0.089 -0.000 3/39204 610.0 3.012 2.895 1.887 -0.000 0.087 -0.000 3/39204 620.0 2.962 2.847 1.856 -0.000 0.085 -0.000 3/39204 630.0 2.914 2.801 1.826 -0.000 0.084 -0.000 3/39204 640.0 2.868 2.756 1.797 -0.000 0.082 -0.000 3/39204 650.0 2.823 2.712 1.769 -0.000 0.081 -0.000 3/39204 660.0 2.779 2.670 1.742 -0.000 0.079 -0.000 3/39204 670.0 2.737 2.630 1.716 -0.000 0.078 -0.000 3/39204 680.0 2.696 2.590 1.690 -0.000 0.077 -0.000 3/39204 690.0 2.656 2.552 1.665 -0.000 0.076 -0.000 3/39204 700.0 2.617 2.515 1.641 -0.000 0.074 -0.000 3/39204 710.0 2.580 2.478 1.618 -0.000 0.073 -0.000 3/39204 720.0 2.543 2.443 1.595 -0.000 0.072 -0.000 3/39204 730.0 2.508 2.409 1.573 -0.000 0.071 -0.000 3/39204 740.0 2.474 2.376 1.552 -0.000 0.070 -0.000 3/39204 750.0 2.440 2.344 1.531 -0.000 0.069 -0.000 3/39204 760.0 2.408 2.312 1.510 -0.000 0.068 -0.000 3/39204 770.0 2.376 2.282 1.491 -0.000 0.067 -0.000 3/39204 780.0 2.345 2.252 1.471 -0.000 0.066 -0.000 3/39204 790.0 2.315 2.223 1.453 -0.000 0.065 -0.000 3/39204 800.0 2.286 2.195 1.434 -0.000 0.064 -0.000 3/39204 810.0 2.257 2.167 1.416 -0.000 0.063 -0.000 3/39204 820.0 2.229 2.141 1.399 -0.000 0.063 -0.000 3/39204 830.0 2.202 2.115 1.382 -0.000 0.062 -0.000 3/39204 840.0 2.175 2.089 1.365 -0.000 0.061 -0.000 3/39204 850.0 2.150 2.064 1.349 -0.000 0.060 -0.000 3/39204 860.0 2.124 2.040 1.333 -0.000 0.059 -0.000 3/39204 870.0 2.100 2.016 1.318 -0.000 0.059 -0.000 3/39204 880.0 2.076 1.993 1.303 -0.000 0.058 -0.000 3/39204 890.0 2.052 1.970 1.288 -0.000 0.057 -0.000 3/39204 900.0 2.029 1.948 1.274 -0.000 0.057 -0.000 3/39204 910.0 2.006 1.926 1.260 -0.000 0.056 -0.000 3/39204 920.0 1.984 1.905 1.246 -0.000 0.055 -0.000 3/39204 930.0 1.963 1.884 1.232 -0.000 0.055 -0.000 3/39204 940.0 1.942 1.864 1.219 -0.000 0.054 -0.000 3/39204 950.0 1.921 1.844 1.206 -0.000 0.053 -0.000 3/39204 960.0 1.901 1.825 1.194 -0.000 0.053 -0.000 3/39204 970.0 1.881 1.806 1.181 -0.000 0.052 -0.000 3/39204 980.0 1.862 1.787 1.169 -0.000 0.052 -0.000 3/39204 990.0 1.843 1.769 1.157 -0.000 0.051 -0.000 3/39204 1000.0 1.824 1.751 1.146 -0.000 0.051 -0.000 3/39204 Thermal conductivity related properties were written into "kappa-m11119.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:33:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|