----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:09:34]------------------------- 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: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.354803205000000 -3.502431215000000 0.000000000000000 b 5.354803205000000 3.502431215000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.016194730000000 Atomic positions (fractional): *1 O 0.83202019109829 0.90235451276127 0.00331539965804 15.999 2 O 0.16797980890171 0.09764548723873 0.50331539965804 15.999 3 O 0.90235451276127 0.83202019109829 0.50331539965804 15.999 4 O 0.09764548723873 0.16797980890171 0.00331539965804 15.999 *5 O 0.37387671707507 0.62612328292493 0.87803072146593 15.999 6 O 0.62612328292493 0.37387671707507 0.37803072146593 15.999 *7 K 0.47592673154977 0.19920025779412 0.73564173392410 39.098 8 K 0.19920025779412 0.47592673154977 0.23564173392410 39.098 9 K 0.52407326845023 0.80079974220588 0.23564173392410 39.098 10 K 0.80079974220588 0.52407326845023 0.73564173392410 39.098 *11 Pb 0.90145373068032 0.09854626931968 0.26905504136977 207.200 12 Pb 0.09854626931968 0.90145373068032 0.76905504136977 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.709606409999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.004862430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.016194730000000 Atomic positions (fractional): *1 O 0.86718735192978 0.03516716083149 0.00331539965804 15.999 > 1 2 O 0.13281264807022 0.96483283916851 0.50331539965804 15.999 > 2 3 O 0.86718735192978 0.96483283916851 0.50331539965804 15.999 > 3 4 O 0.13281264807022 0.03516716083149 0.00331539965804 15.999 > 4 *5 O 0.50000000000000 0.12612328292493 0.87803072146593 15.999 > 5 6 O 0.50000000000000 0.87387671707507 0.37803072146593 15.999 > 6 7 O 0.36718735192978 0.53516716083149 0.00331539965804 15.999 > 1 8 O 0.63281264807022 0.46483283916851 0.50331539965804 15.999 > 2 9 O 0.36718735192978 0.46483283916851 0.50331539965804 15.999 > 3 10 O 0.63281264807022 0.53516716083149 0.00331539965804 15.999 > 4 11 O 0.00000000000000 0.62612328292493 0.87803072146593 15.999 > 5 12 O 0.00000000000000 0.37387671707507 0.37803072146593 15.999 > 6 *13 K 0.33756349467194 0.86163676312217 0.73564173392410 39.098 > 7 14 K 0.33756349467194 0.13836323687783 0.23564173392410 39.098 > 8 15 K 0.66243650532806 0.13836323687783 0.23564173392410 39.098 > 9 16 K 0.66243650532806 0.86163676312217 0.73564173392410 39.098 > 10 17 K 0.83756349467194 0.36163676312218 0.73564173392410 39.098 > 7 18 K 0.83756349467194 0.63836323687783 0.23564173392410 39.098 > 8 19 K 0.16243650532806 0.63836323687783 0.23564173392410 39.098 > 9 20 K 0.16243650532806 0.36163676312218 0.73564173392410 39.098 > 10 *21 Pb 0.50000000000000 0.59854626931968 0.26905504136977 207.200 > 11 22 Pb 0.50000000000000 0.40145373068032 0.76905504136977 207.200 > 12 23 Pb 0.00000000000000 0.09854626931968 0.26905504136977 207.200 > 11 24 Pb 0.00000000000000 0.90145373068032 0.76905504136977 207.200 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.709606409999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.009724860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.032389459999999 Atomic positions (fractional): *1 O 0.86718735192978 0.01758358041574 0.00165769982902 15.999 > 1 2 O 0.86718735192978 0.51758358041575 0.00165769982902 15.999 > 1 3 O 0.86718735192978 0.01758358041574 0.50165769982902 15.999 > 1 4 O 0.86718735192978 0.51758358041575 0.50165769982902 15.999 > 1 5 O 0.13281264807022 0.48241641958426 0.25165769982902 15.999 > 2 6 O 0.13281264807022 0.98241641958426 0.25165769982902 15.999 > 2 7 O 0.13281264807022 0.48241641958426 0.75165769982902 15.999 > 2 8 O 0.13281264807022 0.98241641958426 0.75165769982902 15.999 > 2 9 O 0.86718735192978 0.48241641958426 0.25165769982902 15.999 > 3 10 O 0.86718735192978 0.98241641958426 0.25165769982902 15.999 > 3 11 O 0.86718735192978 0.48241641958426 0.75165769982902 15.999 > 3 12 O 0.86718735192978 0.98241641958426 0.75165769982902 15.999 > 3 13 O 0.13281264807022 0.01758358041574 0.00165769982902 15.999 > 4 14 O 0.13281264807022 0.51758358041575 0.00165769982902 15.999 > 4 15 O 0.13281264807022 0.01758358041574 0.50165769982902 15.999 > 4 16 O 0.13281264807022 0.51758358041575 0.50165769982902 15.999 > 4 *17 O 0.50000000000000 0.06306164146247 0.43901536073296 15.999 > 5 18 O 0.50000000000000 0.56306164146247 0.43901536073296 15.999 > 5 19 O 0.50000000000000 0.06306164146247 0.93901536073296 15.999 > 5 20 O 0.50000000000000 0.56306164146247 0.93901536073296 15.999 > 5 21 O 0.50000000000000 0.43693835853753 0.18901536073296 15.999 > 6 22 O 0.50000000000000 0.93693835853753 0.18901536073296 15.999 > 6 23 O 0.50000000000000 0.43693835853753 0.68901536073296 15.999 > 6 24 O 0.50000000000000 0.93693835853753 0.68901536073296 15.999 > 6 25 O 0.36718735192978 0.26758358041574 0.00165769982902 15.999 > 1 26 O 0.36718735192978 0.76758358041574 0.00165769982902 15.999 > 1 27 O 0.36718735192978 0.26758358041574 0.50165769982902 15.999 > 1 28 O 0.36718735192978 0.76758358041574 0.50165769982902 15.999 > 1 29 O 0.63281264807022 0.23241641958425 0.25165769982902 15.999 > 2 30 O 0.63281264807022 0.73241641958425 0.25165769982902 15.999 > 2 31 O 0.63281264807022 0.23241641958425 0.75165769982902 15.999 > 2 32 O 0.63281264807022 0.73241641958425 0.75165769982902 15.999 > 2 33 O 0.36718735192978 0.23241641958425 0.25165769982902 15.999 > 3 34 O 0.36718735192978 0.73241641958425 0.25165769982902 15.999 > 3 35 O 0.36718735192978 0.23241641958425 0.75165769982902 15.999 > 3 36 O 0.36718735192978 0.73241641958425 0.75165769982902 15.999 > 3 37 O 0.63281264807022 0.26758358041574 0.00165769982902 15.999 > 4 38 O 0.63281264807022 0.76758358041574 0.00165769982902 15.999 > 4 39 O 0.63281264807022 0.26758358041574 0.50165769982902 15.999 > 4 40 O 0.63281264807022 0.76758358041574 0.50165769982902 15.999 > 4 41 O 0.00000000000000 0.31306164146247 0.43901536073296 15.999 > 5 42 O 0.00000000000000 0.81306164146247 0.43901536073296 15.999 > 5 43 O 0.00000000000000 0.31306164146247 0.93901536073296 15.999 > 5 44 O 0.00000000000000 0.81306164146247 0.93901536073296 15.999 > 5 45 O 0.00000000000000 0.18693835853753 0.18901536073296 15.999 > 6 46 O 0.00000000000000 0.68693835853753 0.18901536073296 15.999 > 6 47 O 0.00000000000000 0.18693835853753 0.68901536073296 15.999 > 6 48 O 0.00000000000000 0.68693835853753 0.68901536073296 15.999 > 6 *49 K 0.33756349467194 0.43081838156109 0.36782086696205 39.098 > 7 50 K 0.33756349467194 0.93081838156109 0.36782086696205 39.098 > 7 51 K 0.33756349467194 0.43081838156109 0.86782086696205 39.098 > 7 52 K 0.33756349467194 0.93081838156109 0.86782086696205 39.098 > 7 53 K 0.33756349467194 0.06918161843891 0.11782086696205 39.098 > 8 54 K 0.33756349467194 0.56918161843891 0.11782086696205 39.098 > 8 55 K 0.33756349467194 0.06918161843891 0.61782086696205 39.098 > 8 56 K 0.33756349467194 0.56918161843891 0.61782086696205 39.098 > 8 57 K 0.66243650532806 0.06918161843891 0.11782086696205 39.098 > 9 58 K 0.66243650532806 0.56918161843891 0.11782086696205 39.098 > 9 59 K 0.66243650532806 0.06918161843891 0.61782086696205 39.098 > 9 60 K 0.66243650532806 0.56918161843891 0.61782086696205 39.098 > 9 61 K 0.66243650532806 0.43081838156109 0.36782086696205 39.098 > 10 62 K 0.66243650532806 0.93081838156109 0.36782086696205 39.098 > 10 63 K 0.66243650532806 0.43081838156109 0.86782086696205 39.098 > 10 64 K 0.66243650532806 0.93081838156109 0.86782086696205 39.098 > 10 65 K 0.83756349467194 0.18081838156109 0.36782086696205 39.098 > 7 66 K 0.83756349467194 0.68081838156109 0.36782086696205 39.098 > 7 67 K 0.83756349467194 0.18081838156109 0.86782086696205 39.098 > 7 68 K 0.83756349467194 0.68081838156109 0.86782086696205 39.098 > 7 69 K 0.83756349467194 0.31918161843891 0.11782086696205 39.098 > 8 70 K 0.83756349467194 0.81918161843891 0.11782086696205 39.098 > 8 71 K 0.83756349467194 0.31918161843891 0.61782086696205 39.098 > 8 72 K 0.83756349467194 0.81918161843891 0.61782086696205 39.098 > 8 73 K 0.16243650532806 0.31918161843891 0.11782086696205 39.098 > 9 74 K 0.16243650532806 0.81918161843891 0.11782086696205 39.098 > 9 75 K 0.16243650532806 0.31918161843891 0.61782086696205 39.098 > 9 76 K 0.16243650532806 0.81918161843891 0.61782086696205 39.098 > 9 77 K 0.16243650532806 0.18081838156109 0.36782086696205 39.098 > 10 78 K 0.16243650532806 0.68081838156109 0.36782086696205 39.098 > 10 79 K 0.16243650532806 0.18081838156109 0.86782086696205 39.098 > 10 80 K 0.16243650532806 0.68081838156109 0.86782086696205 39.098 > 10 *81 Pb 0.50000000000000 0.29927313465984 0.13452752068489 207.200 > 11 82 Pb 0.50000000000000 0.79927313465984 0.13452752068489 207.200 > 11 83 Pb 0.50000000000000 0.29927313465984 0.63452752068489 207.200 > 11 84 Pb 0.50000000000000 0.79927313465984 0.63452752068489 207.200 > 11 85 Pb 0.50000000000000 0.20072686534016 0.38452752068489 207.200 > 12 86 Pb 0.50000000000000 0.70072686534016 0.38452752068489 207.200 > 12 87 Pb 0.50000000000000 0.20072686534016 0.88452752068489 207.200 > 12 88 Pb 0.50000000000000 0.70072686534016 0.88452752068489 207.200 > 12 89 Pb 0.00000000000000 0.04927313465984 0.13452752068489 207.200 > 11 90 Pb 0.00000000000000 0.54927313465984 0.13452752068489 207.200 > 11 91 Pb 0.00000000000000 0.04927313465984 0.63452752068489 207.200 > 11 92 Pb 0.00000000000000 0.54927313465984 0.63452752068489 207.200 > 11 93 Pb 0.00000000000000 0.45072686534016 0.38452752068489 207.200 > 12 94 Pb 0.00000000000000 0.95072686534016 0.38452752068489 207.200 > 12 95 Pb 0.00000000000000 0.45072686534016 0.88452752068489 207.200 > 12 96 Pb 0.00000000000000 0.95072686534016 0.88452752068489 207.200 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2495131 0.0000000 0.0000000 0.0000000 3.4970094 0.0000000 0.0000000 0.0000000 4.6249334 -------------------------- Born effective charges -------------------------- 1 O -1.6499559 0.1285055 -0.0612011 0.1406168 -1.4421827 -0.3204829 -0.0582974 -0.4987681 -2.5697428 2 O -1.6499559 0.1285055 0.0612011 0.1406168 -1.4421827 0.3204829 0.0582974 0.4987681 -2.5697428 3 O -1.6499559 -0.1285055 -0.0612011 -0.1406168 -1.4421827 0.3204829 -0.0582974 0.4987681 -2.5697428 4 O -1.6499559 -0.1285055 0.0612011 -0.1406168 -1.4421827 -0.3204829 0.0582974 -0.4987681 -2.5697428 5 O -1.3727989 0.0000000 0.0000000 0.0000000 -2.2971410 0.1554986 0.0000000 -0.1151089 -1.5828323 6 O -1.3727989 0.0000000 0.0000000 0.0000000 -2.2971410 -0.1554986 0.0000000 0.1151089 -1.5828323 7 K 1.2950661 -0.1609820 -0.0098086 -0.0471157 1.1842397 0.1229532 -0.1069600 -0.0298491 1.1098069 8 K 1.2950661 0.1609820 -0.0098086 0.0471157 1.1842397 -0.1229532 -0.1069600 0.0298491 1.1098069 9 K 1.2950661 -0.1609820 0.0098086 -0.0471157 1.1842397 -0.1229532 0.1069600 0.0298491 1.1098069 10 K 1.2950661 0.1609820 0.0098086 0.0471157 1.1842397 0.1229532 0.1069600 -0.0298491 1.1098069 11 Pb 2.0825786 0.0000000 0.0000000 0.0000000 2.8130269 0.0859578 0.0000000 -0.4583339 4.5027040 12 Pb 2.0825786 0.0000000 0.0000000 0.0000000 2.8130269 -0.0859578 0.0000000 0.4583339 4.5027040 ---------------------------------------------------------------------------- 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: 1348 Number of blocks in projector: 1348 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1348, 1320), data: False |-- (172, 168), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.498 Solver_block: 200 / 400 - Time: 1.591 Solver_block: 300 / 400 - Time: 1.480 Solver_block: 400 / 400 - Time: 1.555 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.320 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 1348 Number of blocks in projector: 1348 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1348, 1320), data: False |-- (172, 168), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:10:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:10:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.354803205000000 -3.502431215000000 0.000000000000000 b 5.354803205000000 3.502431215000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.016194730000000 Atomic positions (fractional): 1 O 0.83202019109829 0.90235451276127 0.00331539965804 15.999 2 O 0.16797980890171 0.09764548723873 0.50331539965804 15.999 3 O 0.90235451276127 0.83202019109829 0.50331539965804 15.999 4 O 0.09764548723873 0.16797980890171 0.00331539965804 15.999 5 O 0.37387671707507 0.62612328292493 0.87803072146593 15.999 6 O 0.62612328292493 0.37387671707507 0.37803072146593 15.999 7 K 0.47592673154977 0.19920025779412 0.73564173392410 39.098 8 K 0.19920025779412 0.47592673154977 0.23564173392410 39.098 9 K 0.52407326845023 0.80079974220588 0.23564173392410 39.098 10 K 0.80079974220588 0.52407326845023 0.73564173392410 39.098 11 Pb 0.90145373068032 0.09854626931968 0.26905504136977 207.200 12 Pb 0.09854626931968 0.90145373068032 0.76905504136977 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.709606409999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.009724860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.032389459999999 Atomic positions (fractional): 1 O 0.86718735192978 0.01758358041574 0.00165769982902 15.999 > 1 2 O 0.86718735192978 0.51758358041575 0.00165769982902 15.999 > 1 3 O 0.86718735192978 0.01758358041574 0.50165769982902 15.999 > 1 4 O 0.86718735192978 0.51758358041575 0.50165769982902 15.999 > 1 5 O 0.13281264807022 0.48241641958426 0.25165769982902 15.999 > 5 6 O 0.13281264807022 0.98241641958426 0.25165769982902 15.999 > 5 7 O 0.13281264807022 0.48241641958426 0.75165769982902 15.999 > 5 8 O 0.13281264807022 0.98241641958426 0.75165769982902 15.999 > 5 9 O 0.86718735192978 0.48241641958426 0.25165769982902 15.999 > 9 10 O 0.86718735192978 0.98241641958426 0.25165769982902 15.999 > 9 11 O 0.86718735192978 0.48241641958426 0.75165769982902 15.999 > 9 12 O 0.86718735192978 0.98241641958426 0.75165769982902 15.999 > 9 13 O 0.13281264807022 0.01758358041574 0.00165769982902 15.999 > 13 14 O 0.13281264807022 0.51758358041575 0.00165769982902 15.999 > 13 15 O 0.13281264807022 0.01758358041574 0.50165769982902 15.999 > 13 16 O 0.13281264807022 0.51758358041575 0.50165769982902 15.999 > 13 17 O 0.50000000000000 0.06306164146247 0.43901536073296 15.999 > 17 18 O 0.50000000000000 0.56306164146247 0.43901536073296 15.999 > 17 19 O 0.50000000000000 0.06306164146247 0.93901536073296 15.999 > 17 20 O 0.50000000000000 0.56306164146247 0.93901536073296 15.999 > 17 21 O 0.50000000000000 0.43693835853753 0.18901536073296 15.999 > 21 22 O 0.50000000000000 0.93693835853753 0.18901536073296 15.999 > 21 23 O 0.50000000000000 0.43693835853753 0.68901536073296 15.999 > 21 24 O 0.50000000000000 0.93693835853753 0.68901536073296 15.999 > 21 25 O 0.36718735192978 0.26758358041574 0.00165769982902 15.999 > 1 26 O 0.36718735192978 0.76758358041574 0.00165769982902 15.999 > 1 27 O 0.36718735192978 0.26758358041574 0.50165769982902 15.999 > 1 28 O 0.36718735192978 0.76758358041574 0.50165769982902 15.999 > 1 29 O 0.63281264807022 0.23241641958425 0.25165769982902 15.999 > 5 30 O 0.63281264807022 0.73241641958425 0.25165769982902 15.999 > 5 31 O 0.63281264807022 0.23241641958425 0.75165769982902 15.999 > 5 32 O 0.63281264807022 0.73241641958425 0.75165769982902 15.999 > 5 33 O 0.36718735192978 0.23241641958425 0.25165769982902 15.999 > 9 34 O 0.36718735192978 0.73241641958425 0.25165769982902 15.999 > 9 35 O 0.36718735192978 0.23241641958425 0.75165769982902 15.999 > 9 36 O 0.36718735192978 0.73241641958425 0.75165769982902 15.999 > 9 37 O 0.63281264807022 0.26758358041574 0.00165769982902 15.999 > 13 38 O 0.63281264807022 0.76758358041574 0.00165769982902 15.999 > 13 39 O 0.63281264807022 0.26758358041574 0.50165769982902 15.999 > 13 40 O 0.63281264807022 0.76758358041574 0.50165769982902 15.999 > 13 41 O 0.00000000000000 0.31306164146247 0.43901536073296 15.999 > 17 42 O 0.00000000000000 0.81306164146247 0.43901536073296 15.999 > 17 43 O 0.00000000000000 0.31306164146247 0.93901536073296 15.999 > 17 44 O 0.00000000000000 0.81306164146247 0.93901536073296 15.999 > 17 45 O 0.00000000000000 0.18693835853753 0.18901536073296 15.999 > 21 46 O 0.00000000000000 0.68693835853753 0.18901536073296 15.999 > 21 47 O 0.00000000000000 0.18693835853753 0.68901536073296 15.999 > 21 48 O 0.00000000000000 0.68693835853753 0.68901536073296 15.999 > 21 49 K 0.33756349467194 0.43081838156109 0.36782086696205 39.098 > 49 50 K 0.33756349467194 0.93081838156109 0.36782086696205 39.098 > 49 51 K 0.33756349467194 0.43081838156109 0.86782086696205 39.098 > 49 52 K 0.33756349467194 0.93081838156109 0.86782086696205 39.098 > 49 53 K 0.33756349467194 0.06918161843891 0.11782086696205 39.098 > 53 54 K 0.33756349467194 0.56918161843891 0.11782086696205 39.098 > 53 55 K 0.33756349467194 0.06918161843891 0.61782086696205 39.098 > 53 56 K 0.33756349467194 0.56918161843891 0.61782086696205 39.098 > 53 57 K 0.66243650532806 0.06918161843891 0.11782086696205 39.098 > 57 58 K 0.66243650532806 0.56918161843891 0.11782086696205 39.098 > 57 59 K 0.66243650532806 0.06918161843891 0.61782086696205 39.098 > 57 60 K 0.66243650532806 0.56918161843891 0.61782086696205 39.098 > 57 61 K 0.66243650532806 0.43081838156109 0.36782086696205 39.098 > 61 62 K 0.66243650532806 0.93081838156109 0.36782086696205 39.098 > 61 63 K 0.66243650532806 0.43081838156109 0.86782086696205 39.098 > 61 64 K 0.66243650532806 0.93081838156109 0.86782086696205 39.098 > 61 65 K 0.83756349467194 0.18081838156109 0.36782086696205 39.098 > 49 66 K 0.83756349467194 0.68081838156109 0.36782086696205 39.098 > 49 67 K 0.83756349467194 0.18081838156109 0.86782086696205 39.098 > 49 68 K 0.83756349467194 0.68081838156109 0.86782086696205 39.098 > 49 69 K 0.83756349467194 0.31918161843891 0.11782086696205 39.098 > 53 70 K 0.83756349467194 0.81918161843891 0.11782086696205 39.098 > 53 71 K 0.83756349467194 0.31918161843891 0.61782086696205 39.098 > 53 72 K 0.83756349467194 0.81918161843891 0.61782086696205 39.098 > 53 73 K 0.16243650532806 0.31918161843891 0.11782086696205 39.098 > 57 74 K 0.16243650532806 0.81918161843891 0.11782086696205 39.098 > 57 75 K 0.16243650532806 0.31918161843891 0.61782086696205 39.098 > 57 76 K 0.16243650532806 0.81918161843891 0.61782086696205 39.098 > 57 77 K 0.16243650532806 0.18081838156109 0.36782086696205 39.098 > 61 78 K 0.16243650532806 0.68081838156109 0.36782086696205 39.098 > 61 79 K 0.16243650532806 0.18081838156109 0.86782086696205 39.098 > 61 80 K 0.16243650532806 0.68081838156109 0.86782086696205 39.098 > 61 81 Pb 0.50000000000000 0.29927313465984 0.13452752068489 207.200 > 81 82 Pb 0.50000000000000 0.79927313465984 0.13452752068489 207.200 > 81 83 Pb 0.50000000000000 0.29927313465984 0.63452752068489 207.200 > 81 84 Pb 0.50000000000000 0.79927313465984 0.63452752068489 207.200 > 81 85 Pb 0.50000000000000 0.20072686534016 0.38452752068489 207.200 > 85 86 Pb 0.50000000000000 0.70072686534016 0.38452752068489 207.200 > 85 87 Pb 0.50000000000000 0.20072686534016 0.88452752068489 207.200 > 85 88 Pb 0.50000000000000 0.70072686534016 0.88452752068489 207.200 > 85 89 Pb 0.00000000000000 0.04927313465984 0.13452752068489 207.200 > 81 90 Pb 0.00000000000000 0.54927313465984 0.13452752068489 207.200 > 81 91 Pb 0.00000000000000 0.04927313465984 0.63452752068489 207.200 > 81 92 Pb 0.00000000000000 0.54927313465984 0.63452752068489 207.200 > 81 93 Pb 0.00000000000000 0.45072686534016 0.38452752068489 207.200 > 85 94 Pb 0.00000000000000 0.95072686534016 0.38452752068489 207.200 > 85 95 Pb 0.00000000000000 0.45072686534016 0.88452752068489 207.200 > 85 96 Pb 0.00000000000000 0.95072686534016 0.88452752068489 207.200 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2495131 0.0000000 0.0000000 0.0000000 3.4970094 0.0000000 0.0000000 0.0000000 4.6249334 -------------------------- Born effective charges -------------------------- 1 O -1.6499559 0.1285055 -0.0612011 0.1406168 -1.4421827 -0.3204829 -0.0582974 -0.4987681 -2.5697428 2 O -1.6499559 0.1285055 0.0612011 0.1406168 -1.4421827 0.3204829 0.0582974 0.4987681 -2.5697428 3 O -1.6499559 -0.1285055 -0.0612011 -0.1406168 -1.4421827 0.3204829 -0.0582974 0.4987681 -2.5697428 4 O -1.6499559 -0.1285055 0.0612011 -0.1406168 -1.4421827 -0.3204829 0.0582974 -0.4987681 -2.5697428 5 O -1.3727989 0.0000000 0.0000000 0.0000000 -2.2971410 0.1554986 0.0000000 -0.1151089 -1.5828323 6 O -1.3727989 0.0000000 0.0000000 0.0000000 -2.2971410 -0.1554986 0.0000000 0.1151089 -1.5828323 7 K 1.2950661 -0.1609820 -0.0098086 -0.0471157 1.1842397 0.1229532 -0.1069600 -0.0298491 1.1098069 8 K 1.2950661 0.1609820 -0.0098086 0.0471157 1.1842397 -0.1229532 -0.1069600 0.0298491 1.1098069 9 K 1.2950661 -0.1609820 0.0098086 -0.0471157 1.1842397 -0.1229532 0.1069600 0.0298491 1.1098069 10 K 1.2950661 0.1609820 0.0098086 0.0471157 1.1842397 0.1229532 0.1069600 -0.0298491 1.1098069 11 Pb 2.0825786 0.0000000 0.0000000 0.0000000 2.8130269 0.0859578 0.0000000 -0.4583339 4.5027040 12 Pb 2.0825786 0.0000000 0.0000000 0.0000000 2.8130269 -0.0859578 0.0000000 0.4583339 4.5027040 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:10:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:10:14]------------------------- 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): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.354803205000000 -3.502431215000000 0.000000000000000 b 5.354803205000000 3.502431215000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.016194730000000 Atomic positions (fractional): 1 O 0.83202019109829 0.90235451276127 0.00331539965804 15.999 2 O 0.16797980890171 0.09764548723873 0.50331539965804 15.999 3 O 0.90235451276127 0.83202019109829 0.50331539965804 15.999 4 O 0.09764548723873 0.16797980890171 0.00331539965804 15.999 5 O 0.37387671707507 0.62612328292493 0.87803072146593 15.999 6 O 0.62612328292493 0.37387671707507 0.37803072146593 15.999 7 K 0.47592673154977 0.19920025779412 0.73564173392410 39.098 8 K 0.19920025779412 0.47592673154977 0.23564173392410 39.098 9 K 0.52407326845023 0.80079974220588 0.23564173392410 39.098 10 K 0.80079974220588 0.52407326845023 0.73564173392410 39.098 11 Pb 0.90145373068032 0.09854626931968 0.26905504136977 207.200 12 Pb 0.09854626931968 0.90145373068032 0.76905504136977 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.709606409999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.009724860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.032389459999999 Atomic positions (fractional): 1 O 0.86718735192978 0.01758358041574 0.00165769982902 15.999 > 1 2 O 0.86718735192978 0.51758358041575 0.00165769982902 15.999 > 1 3 O 0.86718735192978 0.01758358041574 0.50165769982902 15.999 > 1 4 O 0.86718735192978 0.51758358041575 0.50165769982902 15.999 > 1 5 O 0.13281264807022 0.48241641958426 0.25165769982902 15.999 > 5 6 O 0.13281264807022 0.98241641958426 0.25165769982902 15.999 > 5 7 O 0.13281264807022 0.48241641958426 0.75165769982902 15.999 > 5 8 O 0.13281264807022 0.98241641958426 0.75165769982902 15.999 > 5 9 O 0.86718735192978 0.48241641958426 0.25165769982902 15.999 > 9 10 O 0.86718735192978 0.98241641958426 0.25165769982902 15.999 > 9 11 O 0.86718735192978 0.48241641958426 0.75165769982902 15.999 > 9 12 O 0.86718735192978 0.98241641958426 0.75165769982902 15.999 > 9 13 O 0.13281264807022 0.01758358041574 0.00165769982902 15.999 > 13 14 O 0.13281264807022 0.51758358041575 0.00165769982902 15.999 > 13 15 O 0.13281264807022 0.01758358041574 0.50165769982902 15.999 > 13 16 O 0.13281264807022 0.51758358041575 0.50165769982902 15.999 > 13 17 O 0.50000000000000 0.06306164146247 0.43901536073296 15.999 > 17 18 O 0.50000000000000 0.56306164146247 0.43901536073296 15.999 > 17 19 O 0.50000000000000 0.06306164146247 0.93901536073296 15.999 > 17 20 O 0.50000000000000 0.56306164146247 0.93901536073296 15.999 > 17 21 O 0.50000000000000 0.43693835853753 0.18901536073296 15.999 > 21 22 O 0.50000000000000 0.93693835853753 0.18901536073296 15.999 > 21 23 O 0.50000000000000 0.43693835853753 0.68901536073296 15.999 > 21 24 O 0.50000000000000 0.93693835853753 0.68901536073296 15.999 > 21 25 O 0.36718735192978 0.26758358041574 0.00165769982902 15.999 > 1 26 O 0.36718735192978 0.76758358041574 0.00165769982902 15.999 > 1 27 O 0.36718735192978 0.26758358041574 0.50165769982902 15.999 > 1 28 O 0.36718735192978 0.76758358041574 0.50165769982902 15.999 > 1 29 O 0.63281264807022 0.23241641958425 0.25165769982902 15.999 > 5 30 O 0.63281264807022 0.73241641958425 0.25165769982902 15.999 > 5 31 O 0.63281264807022 0.23241641958425 0.75165769982902 15.999 > 5 32 O 0.63281264807022 0.73241641958425 0.75165769982902 15.999 > 5 33 O 0.36718735192978 0.23241641958425 0.25165769982902 15.999 > 9 34 O 0.36718735192978 0.73241641958425 0.25165769982902 15.999 > 9 35 O 0.36718735192978 0.23241641958425 0.75165769982902 15.999 > 9 36 O 0.36718735192978 0.73241641958425 0.75165769982902 15.999 > 9 37 O 0.63281264807022 0.26758358041574 0.00165769982902 15.999 > 13 38 O 0.63281264807022 0.76758358041574 0.00165769982902 15.999 > 13 39 O 0.63281264807022 0.26758358041574 0.50165769982902 15.999 > 13 40 O 0.63281264807022 0.76758358041574 0.50165769982902 15.999 > 13 41 O 0.00000000000000 0.31306164146247 0.43901536073296 15.999 > 17 42 O 0.00000000000000 0.81306164146247 0.43901536073296 15.999 > 17 43 O 0.00000000000000 0.31306164146247 0.93901536073296 15.999 > 17 44 O 0.00000000000000 0.81306164146247 0.93901536073296 15.999 > 17 45 O 0.00000000000000 0.18693835853753 0.18901536073296 15.999 > 21 46 O 0.00000000000000 0.68693835853753 0.18901536073296 15.999 > 21 47 O 0.00000000000000 0.18693835853753 0.68901536073296 15.999 > 21 48 O 0.00000000000000 0.68693835853753 0.68901536073296 15.999 > 21 49 K 0.33756349467194 0.43081838156109 0.36782086696205 39.098 > 49 50 K 0.33756349467194 0.93081838156109 0.36782086696205 39.098 > 49 51 K 0.33756349467194 0.43081838156109 0.86782086696205 39.098 > 49 52 K 0.33756349467194 0.93081838156109 0.86782086696205 39.098 > 49 53 K 0.33756349467194 0.06918161843891 0.11782086696205 39.098 > 53 54 K 0.33756349467194 0.56918161843891 0.11782086696205 39.098 > 53 55 K 0.33756349467194 0.06918161843891 0.61782086696205 39.098 > 53 56 K 0.33756349467194 0.56918161843891 0.61782086696205 39.098 > 53 57 K 0.66243650532806 0.06918161843891 0.11782086696205 39.098 > 57 58 K 0.66243650532806 0.56918161843891 0.11782086696205 39.098 > 57 59 K 0.66243650532806 0.06918161843891 0.61782086696205 39.098 > 57 60 K 0.66243650532806 0.56918161843891 0.61782086696205 39.098 > 57 61 K 0.66243650532806 0.43081838156109 0.36782086696205 39.098 > 61 62 K 0.66243650532806 0.93081838156109 0.36782086696205 39.098 > 61 63 K 0.66243650532806 0.43081838156109 0.86782086696205 39.098 > 61 64 K 0.66243650532806 0.93081838156109 0.86782086696205 39.098 > 61 65 K 0.83756349467194 0.18081838156109 0.36782086696205 39.098 > 49 66 K 0.83756349467194 0.68081838156109 0.36782086696205 39.098 > 49 67 K 0.83756349467194 0.18081838156109 0.86782086696205 39.098 > 49 68 K 0.83756349467194 0.68081838156109 0.86782086696205 39.098 > 49 69 K 0.83756349467194 0.31918161843891 0.11782086696205 39.098 > 53 70 K 0.83756349467194 0.81918161843891 0.11782086696205 39.098 > 53 71 K 0.83756349467194 0.31918161843891 0.61782086696205 39.098 > 53 72 K 0.83756349467194 0.81918161843891 0.61782086696205 39.098 > 53 73 K 0.16243650532806 0.31918161843891 0.11782086696205 39.098 > 57 74 K 0.16243650532806 0.81918161843891 0.11782086696205 39.098 > 57 75 K 0.16243650532806 0.31918161843891 0.61782086696205 39.098 > 57 76 K 0.16243650532806 0.81918161843891 0.61782086696205 39.098 > 57 77 K 0.16243650532806 0.18081838156109 0.36782086696205 39.098 > 61 78 K 0.16243650532806 0.68081838156109 0.36782086696205 39.098 > 61 79 K 0.16243650532806 0.18081838156109 0.86782086696205 39.098 > 61 80 K 0.16243650532806 0.68081838156109 0.86782086696205 39.098 > 61 81 Pb 0.50000000000000 0.29927313465984 0.13452752068489 207.200 > 81 82 Pb 0.50000000000000 0.79927313465984 0.13452752068489 207.200 > 81 83 Pb 0.50000000000000 0.29927313465984 0.63452752068489 207.200 > 81 84 Pb 0.50000000000000 0.79927313465984 0.63452752068489 207.200 > 81 85 Pb 0.50000000000000 0.20072686534016 0.38452752068489 207.200 > 85 86 Pb 0.50000000000000 0.70072686534016 0.38452752068489 207.200 > 85 87 Pb 0.50000000000000 0.20072686534016 0.88452752068489 207.200 > 85 88 Pb 0.50000000000000 0.70072686534016 0.88452752068489 207.200 > 85 89 Pb 0.00000000000000 0.04927313465984 0.13452752068489 207.200 > 81 90 Pb 0.00000000000000 0.54927313465984 0.13452752068489 207.200 > 81 91 Pb 0.00000000000000 0.04927313465984 0.63452752068489 207.200 > 81 92 Pb 0.00000000000000 0.54927313465984 0.63452752068489 207.200 > 81 93 Pb 0.00000000000000 0.45072686534016 0.38452752068489 207.200 > 85 94 Pb 0.00000000000000 0.95072686534016 0.38452752068489 207.200 > 85 95 Pb 0.00000000000000 0.45072686534016 0.88452752068489 207.200 > 85 96 Pb 0.00000000000000 0.95072686534016 0.88452752068489 207.200 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2495131 0.0000000 0.0000000 0.0000000 3.4970094 0.0000000 0.0000000 0.0000000 4.6249334 -------------------------- Born effective charges -------------------------- 1 O -1.6499559 0.1285055 -0.0612011 0.1406168 -1.4421827 -0.3204829 -0.0582974 -0.4987681 -2.5697428 2 O -1.6499559 0.1285055 0.0612011 0.1406168 -1.4421827 0.3204829 0.0582974 0.4987681 -2.5697428 3 O -1.6499559 -0.1285055 -0.0612011 -0.1406168 -1.4421827 0.3204829 -0.0582974 0.4987681 -2.5697428 4 O -1.6499559 -0.1285055 0.0612011 -0.1406168 -1.4421827 -0.3204829 0.0582974 -0.4987681 -2.5697428 5 O -1.3727989 0.0000000 0.0000000 0.0000000 -2.2971410 0.1554986 0.0000000 -0.1151089 -1.5828323 6 O -1.3727989 0.0000000 0.0000000 0.0000000 -2.2971410 -0.1554986 0.0000000 0.1151089 -1.5828323 7 K 1.2950661 -0.1609820 -0.0098086 -0.0471157 1.1842397 0.1229532 -0.1069600 -0.0298491 1.1098069 8 K 1.2950661 0.1609820 -0.0098086 0.0471157 1.1842397 -0.1229532 -0.1069600 0.0298491 1.1098069 9 K 1.2950661 -0.1609820 0.0098086 -0.0471157 1.1842397 -0.1229532 0.1069600 0.0298491 1.1098069 10 K 1.2950661 0.1609820 0.0098086 0.0471157 1.1842397 0.1229532 0.1069600 -0.0298491 1.1098069 11 Pb 2.0825786 0.0000000 0.0000000 0.0000000 2.8130269 0.0859578 0.0000000 -0.4583339 4.5027040 12 Pb 2.0825786 0.0000000 0.0000000 0.0000000 2.8130269 -0.0859578 0.0000000 0.4583339 4.5027040 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 9 9 8 ] 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: 0.68, Number of G-points: 283, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 125 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 2.216 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 -0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 -0.000) 0.000 3.830 ( 0.000 0.000 -0.000) 0.000 3.989 ( 0.000 0.000 -0.000) 0.000 4.069 ( 0.000 0.000 -0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 -0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 -0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.957 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 10.690 ( 0.000 0.000 0.000) 0.000 10.830 ( 0.000 0.000 0.000) 0.000 12.228 ( 0.000 0.000 0.000) 0.000 13.110 ( 0.000 0.000 0.000) 0.000 13.671 ( 0.000 0.000 -0.000) 0.000 14.317 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 16.818 ( 0.000 0.000 -0.000) 0.000 17.296 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 8.274 -14.301 0.000) 16.522 0.323 ( 0.904 -19.861 0.000) 19.881 0.650 ( 23.933 -24.152 0.000) 34.002 2.271 ( -1.096 6.529 0.000) 6.620 2.318 ( 1.791 -7.636 0.000) 7.843 2.805 ( -2.784 6.796 0.000) 7.344 2.872 ( -1.310 2.175 0.000) 2.539 2.951 ( 1.517 7.170 0.000) 7.329 3.315 ( -3.553 -14.422 0.000) 14.853 3.523 ( -8.625 0.643 0.000) 8.649 3.773 ( -0.080 -1.433 0.000) 1.435 3.873 ( 2.751 -1.242 0.000) 3.018 4.026 ( -5.871 0.318 0.000) 5.879 4.045 ( 0.726 3.650 0.000) 3.721 4.213 ( -4.507 -1.592 0.000) 4.780 4.661 ( -3.252 0.628 0.000) 3.312 4.789 ( -1.483 3.145 0.000) 3.477 4.936 ( 14.124 7.041 0.000) 15.782 5.028 ( -1.259 0.843 0.000) 1.515 5.094 ( -0.678 -4.918 0.000) 4.964 5.457 ( -1.317 1.875 0.000) 2.291 6.609 ( 0.510 9.226 0.000) 9.240 6.638 ( 0.460 2.911 0.000) 2.947 7.045 ( -1.422 -11.149 0.000) 11.240 7.592 ( 8.956 3.378 0.000) 9.572 8.494 ( -27.334 -15.380 0.000) 31.364 8.911 ( -0.168 0.197 0.000) 0.259 10.694 ( 0.126 -0.331 0.000) 0.354 10.840 ( 1.311 -0.468 0.000) 1.392 12.654 ( 54.193 31.695 0.000) 62.781 13.115 ( 0.713 -0.121 0.000) 0.723 13.765 ( 0.728 0.920 0.000) 1.174 14.317 ( 0.845 0.544 0.000) 1.005 14.865 ( -7.617 -3.330 0.000) 8.313 17.302 ( 0.933 -0.118 0.000) 0.941 17.633 ( -38.844 -24.153 0.000) 45.741 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 7.815 -13.847 0.000) 15.900 0.639 ( 1.417 -18.273 0.000) 18.328 1.246 ( 21.465 -20.327 0.000) 29.562 2.073 ( -1.500 13.514 0.000) 13.597 2.470 ( -0.216 -4.931 0.000) 4.936 2.676 ( -3.423 7.371 0.000) 8.127 2.842 ( 0.626 4.826 0.000) 4.867 2.879 ( -1.062 -5.628 0.000) 5.727 3.389 ( -5.637 1.967 0.000) 5.971 3.517 ( -6.516 -12.415 0.000) 14.021 3.767 ( -3.907 -0.034 0.000) 3.907 3.797 ( -4.791 10.249 0.000) 11.314 3.959 ( -1.907 -2.486 0.000) 3.134 4.054 ( 7.025 2.099 0.000) 7.332 4.231 ( -2.710 -4.116 0.000) 4.928 4.617 ( 2.646 3.559 0.000) 4.435 4.707 ( -2.316 4.629 0.000) 5.176 4.956 ( -0.602 1.603 0.000) 1.712 5.031 ( 6.240 0.344 0.000) 6.249 5.147 ( -1.383 -3.093 0.000) 3.388 5.389 ( -1.926 4.703 0.000) 5.082 6.493 ( 1.596 5.874 0.000) 6.087 6.593 ( -0.126 3.375 0.000) 3.377 7.173 ( -4.273 -8.383 0.000) 9.409 7.660 ( 9.864 0.417 0.000) 9.873 8.437 ( -15.550 -5.654 0.000) 16.546 8.905 ( -0.219 0.283 0.000) 0.357 10.700 ( -0.064 -0.280 0.000) 0.287 10.871 ( 2.218 -0.927 0.000) 2.404 12.732 ( 24.052 10.039 0.000) 26.063 13.128 ( 1.183 -0.276 0.000) 1.214 13.757 ( 0.225 0.760 0.000) 0.793 14.317 ( 1.462 0.895 0.000) 1.715 14.829 ( -5.341 -0.773 0.000) 5.397 17.319 ( 1.961 -0.071 0.000) 1.962 17.604 ( -19.526 -10.522 0.000) 22.181 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 7.414 -12.446 0.000) 14.487 0.926 ( 1.692 -15.487 0.000) 15.579 1.699 ( 15.481 -10.475 0.000) 18.692 1.876 ( -0.370 8.116 0.000) 8.124 2.398 ( -6.374 11.139 0.000) 12.834 2.512 ( -2.074 4.347 0.000) 4.816 2.801 ( 1.361 1.973 0.000) 2.397 3.027 ( 0.070 -8.511 0.000) 8.511 3.293 ( -7.163 1.447 0.000) 7.308 3.554 ( -8.009 -2.070 0.000) 8.272 3.655 ( 2.696 5.049 0.000) 5.723 3.761 ( -6.290 -8.892 0.000) 10.892 4.003 ( 0.398 -2.735 0.000) 2.764 4.082 ( 6.307 3.489 0.000) 7.208 4.254 ( -1.105 -0.949 0.000) 1.457 4.578 ( -2.302 6.316 0.000) 6.722 4.636 ( 2.564 -0.080 0.000) 2.565 4.914 ( -1.124 1.219 0.000) 1.658 5.098 ( 4.840 -0.444 0.000) 4.860 5.164 ( -3.110 -1.650 0.000) 3.520 5.279 ( -1.685 5.772 0.000) 6.013 6.452 ( 1.707 2.100 0.000) 2.706 6.534 ( -0.150 3.494 0.000) 3.497 7.228 ( -3.627 -4.203 0.000) 5.552 7.772 ( 9.053 -1.483 0.000) 9.173 8.357 ( -11.049 -1.835 0.000) 11.200 8.898 ( -0.147 0.237 0.000) 0.279 10.701 ( -0.188 -0.104 0.000) 0.215 10.909 ( 2.043 -0.945 0.000) 2.251 12.820 ( 11.801 2.797 0.000) 12.128 13.146 ( 1.137 -0.345 0.000) 1.188 13.748 ( 0.163 0.544 0.000) 0.567 14.319 ( 1.515 0.856 0.000) 1.740 14.785 ( -3.926 0.066 0.000) 3.927 17.343 ( 2.735 0.146 0.000) 2.739 17.565 ( -11.916 -5.268 0.000) 13.028 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.768 -7.581 0.000) 7.619 1.145 ( 4.506 -6.943 0.000) 8.277 1.772 ( 2.498 2.561 0.000) 3.578 1.920 ( 4.161 -1.384 0.000) 4.385 2.118 ( -7.109 9.487 0.000) 11.855 2.498 ( 1.025 -1.030 0.000) 1.453 2.787 ( 0.310 0.910 0.000) 0.961 3.081 ( -0.153 0.086 0.000) 0.175 3.210 ( -2.794 1.106 0.000) 3.005 3.575 ( -6.827 -7.577 0.000) 10.199 3.612 ( 4.067 4.121 0.000) 5.790 3.863 ( -1.395 -6.233 0.000) 6.387 4.033 ( 2.331 0.752 0.000) 2.449 4.080 ( 1.014 1.391 0.000) 1.721 4.251 ( -0.499 -0.238 0.000) 0.553 4.451 ( -1.873 4.624 0.000) 4.989 4.671 ( 1.143 -0.404 0.000) 1.212 4.924 ( 1.851 -1.803 0.000) 2.585 5.092 ( -3.090 3.597 0.000) 4.742 5.144 ( 0.462 -0.369 0.000) 0.591 5.227 ( 0.342 0.470 0.000) 0.582 6.443 ( 0.433 0.757 0.000) 0.873 6.495 ( 0.203 1.204 0.000) 1.221 7.244 ( -1.306 -1.236 0.000) 1.798 7.869 ( 4.421 -1.011 0.000) 4.535 8.283 ( -4.990 -0.180 0.000) 4.994 8.895 ( -0.047 0.091 0.000) 0.102 10.700 ( -0.093 -0.017 0.000) 0.094 10.936 ( 0.817 -0.395 0.000) 0.908 12.876 ( 3.598 0.441 0.000) 3.625 13.159 ( 0.475 -0.166 0.000) 0.503 13.743 ( 0.087 0.192 0.000) 0.211 14.321 ( 0.680 0.357 0.000) 0.768 14.753 ( -1.524 0.125 0.000) 1.529 17.365 ( 1.692 0.185 0.000) 1.702 17.532 ( -4.640 -1.739 0.000) 4.955 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 14.844 -0.000 0.000) 14.844 0.354 ( 17.209 -0.000 0.000) 17.209 0.797 ( 36.640 -0.000 0.000) 36.640 2.232 ( 1.558 -0.000 0.000) 1.558 2.342 ( -0.718 0.000 0.000) 0.718 2.787 ( -10.216 0.000 0.000) 10.216 2.910 ( -2.432 0.000 0.000) 2.432 3.031 ( 0.574 -0.000 0.000) 0.574 3.155 ( -3.300 0.000 0.000) 3.300 3.418 ( -1.068 0.000 0.000) 1.068 3.755 ( -0.300 0.000 0.000) 0.300 3.906 ( 0.834 -0.000 0.000) 0.834 3.992 ( 0.264 -0.000 0.000) 0.264 4.059 ( -13.739 0.000 0.000) 13.739 4.080 ( 0.997 -0.000 0.000) 0.997 4.608 ( -0.335 0.000 0.000) 0.335 4.751 ( -4.885 0.000 0.000) 4.885 5.025 ( -1.321 0.000 0.000) 1.321 5.066 ( 4.315 -0.000 0.000) 4.315 5.236 ( 9.188 -0.000 0.000) 9.188 5.463 ( -0.188 0.000 0.000) 0.188 6.651 ( 0.235 -0.000 0.000) 0.235 6.710 ( -2.589 0.000 0.000) 2.589 6.954 ( -0.475 0.000 0.000) 0.475 7.719 ( -4.010 0.000 0.000) 4.010 8.015 ( 2.613 -0.000 0.000) 2.613 8.910 ( -0.310 0.000 0.000) 0.310 10.695 ( 0.438 -0.000 0.000) 0.438 10.839 ( 0.825 -0.000 0.000) 0.825 13.122 ( 1.085 -0.000 0.000) 1.085 13.666 ( -0.410 0.000 0.000) 0.410 14.041 ( -8.027 0.000 0.000) 8.027 14.418 ( -1.480 0.000 0.000) 1.480 14.425 ( 6.803 -0.000 0.000) 6.803 16.820 ( 0.182 -0.000 0.000) 0.182 17.314 ( 1.679 -0.000 0.000) 1.679 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 12.065 -5.762 0.000) 13.370 0.584 ( 15.380 -6.400 0.000) 16.659 1.257 ( 29.464 -11.312 0.000) 31.561 2.213 ( -4.388 7.676 0.000) 8.842 2.359 ( 1.830 -6.579 0.000) 6.828 2.687 ( -7.999 -0.685 0.000) 8.028 2.825 ( -3.503 3.320 0.000) 4.827 2.975 ( 0.278 8.769 0.000) 8.773 3.216 ( -5.671 -13.384 0.000) 14.536 3.397 ( -2.658 2.607 0.000) 3.723 3.687 ( -11.857 2.103 0.000) 12.042 3.868 ( -6.091 -5.788 0.000) 8.402 3.958 ( 2.687 8.751 0.000) 9.155 4.069 ( -3.540 -7.705 0.000) 8.479 4.131 ( 6.378 -2.117 0.000) 6.720 4.625 ( -1.629 -2.109 0.000) 2.665 4.700 ( -4.647 0.474 0.000) 4.671 4.979 ( -0.707 3.416 0.000) 3.488 5.123 ( 3.812 -0.502 0.000) 3.845 5.234 ( 9.431 8.268 0.000) 12.542 5.435 ( -1.206 2.883 0.000) 3.125 6.606 ( -0.843 6.570 0.000) 6.624 6.640 ( -0.042 2.532 0.000) 2.532 7.010 ( -1.866 -7.145 0.000) 7.385 7.710 ( -0.320 -3.173 0.000) 3.190 8.143 ( -6.063 -10.032 0.000) 11.721 8.905 ( -0.322 0.138 0.000) 0.351 10.700 ( 0.441 0.018 0.000) 0.442 10.863 ( 0.983 -1.553 0.000) 1.838 13.132 ( 1.449 0.745 0.000) 1.629 13.382 ( 15.638 31.681 0.000) 35.330 13.784 ( 0.356 4.179 0.000) 4.194 14.351 ( 1.914 1.350 0.000) 2.342 14.689 ( -6.495 -9.310 0.000) 11.351 17.090 ( -13.121 -24.461 0.000) 27.757 17.339 ( 2.458 -0.548 0.000) 2.518 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 7.917 -11.876 0.000) 14.273 0.851 ( 12.955 -8.388 0.000) 15.433 1.695 ( 18.024 -10.939 0.000) 21.083 1.995 ( -5.792 9.896 0.000) 11.467 2.459 ( -1.876 0.875 0.000) 2.070 2.549 ( -7.576 6.360 0.000) 9.892 2.834 ( -3.457 -7.947 0.000) 8.666 2.850 ( -0.102 3.486 0.000) 3.487 3.280 ( -7.363 1.367 0.000) 7.489 3.401 ( -1.151 -10.089 0.000) 10.155 3.562 ( -9.410 -2.701 0.000) 9.790 3.826 ( 3.388 10.427 0.000) 10.964 3.929 ( -1.534 -5.680 0.000) 5.884 4.132 ( -2.640 -4.692 0.000) 5.383 4.234 ( 6.617 -0.610 0.000) 6.645 4.620 ( -4.119 1.798 0.000) 4.494 4.642 ( -1.147 0.207 0.000) 1.165 4.923 ( -0.068 2.484 0.000) 2.485 5.152 ( 1.823 0.916 0.000) 2.040 5.208 ( 6.781 5.395 0.000) 8.665 5.349 ( -2.006 5.354 0.000) 5.717 6.514 ( 0.312 4.197 0.000) 4.209 6.591 ( -0.013 3.666 0.000) 3.666 7.102 ( -2.656 -7.048 0.000) 7.532 7.775 ( -1.309 -5.090 0.000) 5.256 8.198 ( -4.675 -4.983 0.000) 6.832 8.900 ( -0.246 0.170 0.000) 0.299 10.703 ( 0.387 0.140 0.000) 0.411 10.899 ( 0.590 -1.749 0.000) 1.846 13.099 ( 6.747 9.302 0.000) 11.491 13.200 ( 8.959 8.719 0.000) 12.501 13.753 ( -0.848 0.617 0.000) 1.048 14.347 ( 0.760 1.056 0.000) 1.301 14.717 ( -4.191 -2.930 0.000) 5.113 17.247 ( -11.794 -12.705 0.000) 17.335 17.390 ( 2.892 -2.652 0.000) 3.923 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 5.697 -11.642 0.000) 12.961 1.106 ( 10.649 -7.603 0.000) 13.084 1.821 ( -4.321 4.557 0.000) 6.280 1.934 ( 3.594 -3.902 0.000) 5.305 2.178 ( -13.459 13.260 0.000) 18.894 2.508 ( 1.530 1.241 0.000) 1.970 2.783 ( -3.146 0.791 0.000) 3.244 2.994 ( -2.357 -10.058 0.000) 10.331 3.207 ( -3.064 -0.207 0.000) 3.071 3.455 ( 0.737 0.561 0.000) 0.926 3.657 ( -2.587 -12.126 0.000) 12.399 3.741 ( 4.872 3.331 0.000) 5.902 4.009 ( 0.511 -4.934 0.000) 4.960 4.164 ( -0.934 -1.514 0.000) 1.779 4.258 ( 4.327 4.743 0.000) 6.420 4.508 ( -3.572 5.666 0.000) 6.698 4.650 ( -1.765 -1.739 0.000) 2.478 4.917 ( 1.751 -0.845 0.000) 1.944 5.110 ( -2.399 3.779 0.000) 4.476 5.206 ( 4.766 3.408 0.000) 5.859 5.258 ( -0.451 3.078 0.000) 3.111 6.470 ( 0.056 2.182 0.000) 2.182 6.532 ( -0.146 3.320 0.000) 3.323 7.178 ( -1.346 -5.169 0.000) 5.341 7.818 ( -6.150 -4.492 0.000) 7.616 8.236 ( 1.417 -2.750 0.000) 3.094 8.895 ( -0.164 0.105 0.000) 0.195 10.704 ( 0.492 0.208 0.000) 0.534 10.924 ( -0.577 -1.124 0.000) 1.264 13.023 ( 6.683 8.814 0.000) 11.062 13.188 ( 3.430 2.507 0.000) 4.248 13.738 ( -1.196 -0.081 0.000) 1.198 14.332 ( -0.697 0.908 0.000) 1.145 14.722 ( -1.527 -1.788 0.000) 2.351 17.287 ( -7.976 -6.143 0.000) 10.067 17.477 ( 3.561 -3.719 0.000) 5.148 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 2.695 -2.299 0.000) 3.542 1.242 ( 3.809 3.462 0.000) 5.147 1.709 ( -7.735 1.943 0.000) 7.975 1.926 ( -3.884 4.945 0.000) 6.288 1.998 ( -2.927 -8.741 0.000) 9.218 2.498 ( -0.743 1.053 0.000) 1.289 2.751 ( -3.407 -1.081 0.000) 3.574 3.071 ( -0.360 -2.366 0.000) 2.393 3.219 ( 1.165 -1.930 0.000) 2.254 3.492 ( 0.422 -4.556 0.000) 4.576 3.708 ( 4.251 1.393 0.000) 4.473 3.878 ( 2.908 -6.817 0.000) 7.411 4.078 ( 2.011 -0.755 0.000) 2.148 4.120 ( 1.939 8.973 0.000) 9.180 4.224 ( -1.616 -1.004 0.000) 1.903 4.418 ( -1.198 0.442 0.000) 1.277 4.645 ( -3.028 -0.688 0.000) 3.105 4.935 ( -1.371 1.992 0.000) 2.418 5.061 ( 0.786 -2.391 0.000) 2.517 5.186 ( 2.288 2.896 0.000) 3.691 5.242 ( 1.487 1.113 0.000) 1.858 6.440 ( -0.585 1.114 0.000) 1.259 6.491 ( -0.541 1.266 0.000) 1.377 7.241 ( 1.063 -3.093 0.000) 3.271 7.782 ( -9.994 -1.775 0.000) 10.151 8.323 ( 6.258 -2.869 0.000) 6.884 8.893 ( -0.095 -0.051 0.000) 0.108 10.707 ( 0.664 0.243 0.000) 0.707 10.920 ( -2.045 -0.214 0.000) 2.056 12.942 ( 2.468 8.038 0.000) 8.408 13.178 ( 1.279 1.955 0.000) 2.336 13.730 ( -1.254 -0.550 0.000) 1.369 14.308 ( -1.652 0.324 0.000) 1.683 14.748 ( 0.852 -1.935 0.000) 2.115 17.293 ( -5.381 -3.606 0.000) 6.478 17.578 ( 5.571 -3.006 0.000) 6.330 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -4.085 12.919 0.000) 13.550 1.136 ( 0.443 10.227 0.000) 10.237 1.658 ( -6.357 -0.573 0.000) 6.383 1.806 ( -5.280 2.436 0.000) 5.815 2.239 ( 4.314 -16.500 0.000) 17.055 2.474 ( -0.964 -0.464 0.000) 1.070 2.744 ( -3.001 -2.094 0.000) 3.659 3.077 ( -0.299 1.321 0.000) 1.354 3.320 ( 5.304 -7.388 0.000) 9.095 3.570 ( 0.804 -2.354 0.000) 2.487 3.720 ( 6.117 4.414 0.000) 7.543 3.911 ( 2.107 4.369 0.000) 4.851 3.992 ( -1.113 4.898 0.000) 5.023 4.076 ( 0.152 2.316 0.000) 2.321 4.228 ( -2.668 -1.848 0.000) 3.245 4.492 ( 1.896 -7.116 0.000) 7.364 4.604 ( -4.239 0.884 0.000) 4.330 4.895 ( -0.857 -0.712 0.000) 1.114 5.100 ( -0.461 1.682 0.000) 1.744 5.211 ( 1.450 -4.113 0.000) 4.361 5.240 ( 4.297 1.708 0.000) 4.624 6.418 ( -1.729 0.228 0.000) 1.744 6.490 ( -0.118 -1.829 0.000) 1.833 7.299 ( 4.088 -0.699 0.000) 4.148 7.678 ( -11.109 0.719 0.000) 11.132 8.444 ( 7.629 -2.992 0.000) 8.195 8.895 ( -0.015 -0.254 0.000) 0.254 10.710 ( 0.712 0.329 0.000) 0.785 10.891 ( -2.985 0.456 0.000) 3.020 12.807 ( -2.736 8.990 0.000) 9.398 13.155 ( -0.066 1.587 0.000) 1.589 13.731 ( -0.860 -0.916 0.000) 1.256 14.292 ( -1.546 -0.453 0.000) 1.611 14.797 ( 2.118 -2.130 0.000) 3.004 17.293 ( -3.167 -2.117 0.000) 3.809 17.686 ( 7.300 -2.139 0.000) 7.607 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -3.187 14.498 0.000) 14.844 0.925 ( 0.502 16.169 0.000) 16.177 1.415 ( -8.640 18.493 0.000) 20.412 1.867 ( -0.671 -11.241 0.000) 11.261 2.479 ( 2.100 -4.054 0.000) 4.566 2.547 ( 0.657 -11.690 0.000) 11.708 2.758 ( -1.680 -3.304 0.000) 3.707 3.011 ( -0.669 6.915 0.000) 6.947 3.470 ( 7.558 3.416 0.000) 8.294 3.599 ( -2.127 -8.246 0.000) 8.515 3.744 ( 8.092 1.325 0.000) 8.200 3.872 ( 3.238 4.793 0.000) 5.784 3.923 ( -5.981 -1.762 0.000) 6.235 4.033 ( 0.728 2.714 0.000) 2.810 4.234 ( -2.556 -2.307 0.000) 3.443 4.534 ( -3.249 -0.216 0.000) 3.256 4.629 ( 0.283 -5.675 0.000) 5.682 4.937 ( 0.829 -3.566 0.000) 3.661 5.030 ( -1.622 4.703 0.000) 4.975 5.221 ( 1.417 1.777 0.000) 2.273 5.338 ( 3.262 -4.681 0.000) 5.706 6.411 ( -1.617 -2.116 0.000) 2.663 6.538 ( 0.131 -3.637 0.000) 3.639 7.338 ( 7.235 4.155 0.000) 8.343 7.544 ( -11.216 0.418 0.000) 11.223 8.567 ( 6.761 -2.872 0.000) 7.346 8.901 ( 0.048 -0.389 0.000) 0.392 10.709 ( 0.439 0.526 0.000) 0.685 10.852 ( -2.494 0.545 0.000) 2.553 12.604 ( -6.809 9.875 0.000) 11.994 13.131 ( -0.383 1.029 0.000) 1.098 13.741 ( -0.317 -0.986 0.000) 1.035 14.291 ( -0.828 -0.902 0.000) 1.224 14.852 ( 1.963 -1.943 0.000) 2.762 17.294 ( -1.338 -0.978 0.000) 1.657 17.794 ( 7.400 -1.770 0.000) 7.608 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -0.000 16.071 0.000) 16.071 0.648 ( -0.000 19.051 0.000) 19.051 0.982 ( -0.000 27.917 0.000) 27.917 2.078 ( 0.000 -14.299 0.000) 14.299 2.472 ( -0.000 6.706 0.000) 6.706 2.705 ( 0.000 -6.987 0.000) 6.987 2.835 ( 0.000 -7.016 0.000) 7.016 2.890 ( -0.000 4.732 0.000) 4.732 3.500 ( 0.000 -3.513 0.000) 3.513 3.553 ( -0.000 11.287 0.000) 11.287 3.805 ( -0.000 1.682 0.000) 1.682 3.890 ( -0.000 0.924 0.000) 0.924 3.933 ( 0.000 -8.879 0.000) 8.879 4.035 ( 0.000 -1.979 0.000) 1.979 4.240 ( -0.000 0.289 0.000) 0.289 4.566 ( 0.000 -6.972 0.000) 6.972 4.697 ( 0.000 -3.514 0.000) 3.514 4.932 ( -0.000 5.497 0.000) 5.497 5.003 ( 0.000 -3.123 0.000) 3.123 5.189 ( -0.000 3.962 0.000) 3.962 5.422 ( 0.000 -3.653 0.000) 3.653 6.468 ( 0.000 -6.472 0.000) 6.472 6.595 ( 0.000 -3.201 0.000) 3.201 7.251 ( -0.000 11.452 0.000) 11.452 7.502 ( 0.000 -2.602 0.000) 2.602 8.659 ( 0.000 -2.888 0.000) 2.888 8.907 ( 0.000 -0.356 0.000) 0.356 10.702 ( -0.000 0.625 0.000) 0.625 10.831 ( -0.000 0.236 0.000) 0.236 12.390 ( -0.000 9.615 0.000) 9.615 13.116 ( -0.000 0.493 0.000) 0.493 13.753 ( 0.000 -0.725 0.000) 0.725 14.301 ( 0.000 -0.875 0.000) 0.875 14.892 ( 0.000 -1.430 0.000) 1.430 17.297 ( 0.000 -0.196 0.000) 0.196 17.877 ( 0.000 -2.079 0.000) 2.079 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 13.665 -0.000 0.000) 13.665 0.712 ( 17.110 -0.000 0.000) 17.110 1.470 ( 26.099 -0.000 0.000) 26.099 2.280 ( 2.861 -0.000 0.000) 2.861 2.314 ( -1.997 0.000 0.000) 1.997 2.524 ( -13.130 0.000 0.000) 13.130 2.832 ( -5.268 0.000 0.000) 5.268 3.004 ( -3.958 0.000 0.000) 3.958 3.089 ( -3.078 0.000 0.000) 3.078 3.434 ( 3.347 -0.000 0.000) 3.347 3.517 ( -23.081 0.000 0.000) 23.081 3.729 ( -2.411 0.000 0.000) 2.411 4.002 ( 0.671 -0.000 0.000) 0.671 4.109 ( 1.733 -0.000 0.000) 1.733 4.141 ( 8.626 -0.000 0.000) 8.626 4.586 ( -1.816 0.000 0.000) 1.816 4.655 ( -4.065 0.000 0.000) 4.065 5.017 ( 1.093 -0.000 0.000) 1.093 5.164 ( 4.479 -0.000 0.000) 4.479 5.380 ( 4.293 -0.000 0.000) 4.293 5.445 ( -1.761 0.000 0.000) 1.761 6.647 ( -3.136 0.000 0.000) 3.136 6.660 ( 0.664 -0.000 0.000) 0.664 6.933 ( -1.526 0.000 0.000) 1.526 7.603 ( -6.749 0.000 0.000) 6.749 8.088 ( 4.198 -0.000 0.000) 4.198 8.903 ( -0.342 0.000 0.000) 0.342 10.706 ( 0.646 -0.000 0.000) 0.646 10.860 ( 1.071 -0.000 0.000) 1.071 13.151 ( 1.527 -0.000 0.000) 1.527 13.656 ( -0.550 0.000 0.000) 0.550 13.879 ( -7.247 0.000 0.000) 7.247 14.378 ( -2.223 0.000 0.000) 2.223 14.554 ( 5.391 -0.000 0.000) 5.391 16.826 ( 0.332 -0.000 0.000) 0.332 17.360 ( 2.605 -0.000 0.000) 2.605 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 12.649 -1.533 0.000) 12.741 0.912 ( 15.643 -3.352 0.000) 15.998 1.724 ( 11.013 -5.237 0.000) 12.194 2.093 ( -5.910 12.015 0.000) 13.390 2.404 ( 2.868 -5.816 0.000) 6.485 2.522 ( -6.527 -3.749 0.000) 7.527 2.710 ( -7.836 1.801 0.000) 8.040 2.959 ( -1.297 8.041 0.000) 8.145 3.079 ( -6.929 -10.903 0.000) 12.919 3.284 ( -11.190 0.148 0.000) 11.191 3.505 ( 2.046 -1.124 0.000) 2.334 3.778 ( -3.606 -8.434 0.000) 9.172 4.008 ( 1.397 4.491 0.000) 4.703 4.058 ( 1.685 1.685 0.000) 2.383 4.275 ( 6.741 -3.390 0.000) 7.545 4.580 ( -2.395 -1.588 0.000) 2.874 4.613 ( -3.813 0.423 0.000) 3.837 5.002 ( 2.875 4.014 0.000) 4.938 5.197 ( 2.835 1.117 0.000) 3.047 5.357 ( 2.256 5.583 0.000) 6.022 5.399 ( -1.793 3.184 0.000) 3.655 6.578 ( -1.634 4.025 0.000) 4.344 6.645 ( 0.490 2.634 0.000) 2.679 6.969 ( -2.010 -5.996 0.000) 6.324 7.599 ( -7.976 -7.402 0.000) 10.881 8.148 ( 3.594 -1.877 0.000) 4.054 8.899 ( -0.294 0.072 0.000) 0.303 10.711 ( 0.646 0.194 0.000) 0.674 10.880 ( 0.625 -1.131 0.000) 1.292 13.161 ( 1.312 0.729 0.000) 1.501 13.546 ( 3.541 13.827 0.000) 14.274 13.757 ( -2.754 2.659 0.000) 3.829 14.356 ( -1.564 0.175 0.000) 1.574 14.638 ( 0.923 -3.264 0.000) 3.392 16.938 ( -3.663 -12.007 0.000) 12.553 17.397 ( 2.908 -1.162 0.000) 3.132 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 10.575 -6.535 0.000) 12.431 1.132 ( 13.243 -5.141 0.000) 14.206 1.792 ( -9.123 -1.895 0.000) 9.318 1.902 ( -4.714 5.070 0.000) 6.923 2.294 ( -7.894 14.912 0.000) 16.873 2.525 ( 1.897 -3.249 0.000) 3.763 2.732 ( -5.579 -5.885 0.000) 8.109 2.848 ( -0.208 0.857 0.000) 0.882 3.129 ( -5.520 -2.873 0.000) 6.223 3.364 ( -2.425 -17.739 0.000) 17.904 3.541 ( 5.966 1.508 0.000) 6.154 3.883 ( -1.685 -3.659 0.000) 4.029 3.914 ( 3.855 3.827 0.000) 5.432 4.092 ( -0.944 -3.339 0.000) 3.469 4.366 ( 5.268 0.452 0.000) 5.288 4.544 ( -3.264 3.053 0.000) 4.469 4.590 ( -2.943 -2.207 0.000) 3.678 4.967 ( 3.539 3.902 0.000) 5.268 5.168 ( -0.529 4.737 0.000) 4.766 5.291 ( -0.136 3.079 0.000) 3.082 5.325 ( 1.422 5.024 0.000) 5.221 6.509 ( -0.641 3.070 0.000) 3.136 6.592 ( 0.027 4.130 0.000) 4.130 7.060 ( -1.382 -7.422 0.000) 7.550 7.632 ( -9.115 -7.239 0.000) 11.640 8.223 ( 4.002 -2.800 0.000) 4.884 8.894 ( -0.238 0.085 0.000) 0.253 10.715 ( 0.722 0.241 0.000) 0.761 10.899 ( -0.458 -0.955 0.000) 1.059 13.149 ( 0.995 2.534 0.000) 2.722 13.385 ( 6.829 12.404 0.000) 14.159 13.718 ( -2.408 -0.077 0.000) 2.410 14.331 ( -1.962 0.690 0.000) 2.080 14.681 ( 0.273 -1.974 0.000) 1.993 17.070 ( -5.490 -10.261 0.000) 11.637 17.462 ( 3.341 -3.042 0.000) 4.518 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 7.164 -6.410 0.000) 9.614 1.328 ( 9.557 -1.903 0.000) 9.744 1.680 ( -8.930 5.679 0.000) 10.582 1.785 ( -11.526 -7.639 0.000) 13.828 2.013 ( -4.285 11.592 0.000) 12.358 2.542 ( 1.680 3.021 0.000) 3.457 2.691 ( -5.011 -0.269 0.000) 5.018 2.958 ( -1.059 -10.150 0.000) 10.205 3.135 ( -3.061 -4.209 0.000) 5.205 3.569 ( 7.415 3.736 0.000) 8.303 3.644 ( 1.124 -13.802 0.000) 13.848 3.838 ( 3.326 0.785 0.000) 3.417 4.027 ( 1.319 -6.848 0.000) 6.974 4.126 ( -1.829 -2.383 0.000) 3.004 4.352 ( 3.424 7.193 0.000) 7.966 4.441 ( -2.607 4.913 0.000) 5.562 4.595 ( -2.549 -1.633 0.000) 3.027 4.965 ( 2.253 1.454 0.000) 2.682 5.061 ( -2.137 4.068 0.000) 4.595 5.250 ( -0.105 2.595 0.000) 2.597 5.289 ( 2.763 2.395 0.000) 3.656 6.462 ( -0.583 2.243 0.000) 2.318 6.525 ( -0.417 3.642 0.000) 3.666 7.169 ( 0.383 -6.816 0.000) 6.827 7.630 ( -8.841 -4.254 0.000) 9.811 8.321 ( 4.316 -4.028 0.000) 5.904 8.891 ( -0.182 0.016 0.000) 0.183 10.719 ( 0.814 0.241 0.000) 0.850 10.897 ( -1.547 -0.107 0.000) 1.550 13.096 ( 1.338 5.925 0.000) 6.074 13.282 ( 4.515 8.545 0.000) 9.664 13.702 ( -2.029 -0.824 0.000) 2.190 14.298 ( -1.882 0.747 0.000) 2.025 14.719 ( 0.641 -2.367 0.000) 2.453 17.154 ( -4.258 -7.012 0.000) 8.203 17.560 ( 3.439 -4.678 0.000) 5.807 ======================= Grid point 24 (18/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.582 7.929 0.000) 7.950 1.248 ( -1.661 7.094 0.000) 7.286 1.616 ( 0.670 -1.222 0.000) 1.393 1.811 ( -5.425 5.946 0.000) 8.048 1.964 ( -0.882 -19.246 0.000) 19.267 2.492 ( 0.225 3.426 0.000) 3.434 2.677 ( -2.643 -2.595 0.000) 3.704 3.072 ( 0.292 -3.714 0.000) 3.725 3.205 ( -1.339 -7.666 0.000) 7.782 3.576 ( 4.690 1.550 0.000) 4.940 3.757 ( 0.490 -2.621 0.000) 2.667 3.966 ( 4.380 -5.534 0.000) 7.058 4.098 ( -0.231 -0.108 0.000) 0.255 4.112 ( -2.323 3.626 0.000) 4.307 4.214 ( 0.425 8.744 0.000) 8.755 4.413 ( 0.598 -3.598 0.000) 3.647 4.580 ( -2.340 0.432 0.000) 2.380 4.903 ( -1.028 3.621 0.000) 3.764 5.082 ( 0.673 -3.909 0.000) 3.967 5.210 ( 0.335 2.224 0.000) 2.249 5.292 ( 2.164 0.672 0.000) 2.266 6.423 ( -0.752 1.840 0.000) 1.988 6.481 ( -0.290 1.095 0.000) 1.133 7.282 ( 2.235 -5.614 0.000) 6.043 7.585 ( -6.759 -0.323 0.000) 6.767 8.434 ( 3.215 -4.899 0.000) 5.860 8.891 ( -0.095 -0.156 0.000) 0.183 10.723 ( 0.668 0.305 0.000) 0.734 10.874 ( -1.697 0.687 0.000) 1.831 12.975 ( 0.754 10.950 0.000) 10.976 13.204 ( 0.908 4.705 0.000) 4.792 13.703 ( -0.964 -1.293 0.000) 1.613 14.275 ( -1.044 0.105 0.000) 1.049 14.769 ( 0.740 -2.971 0.000) 3.062 17.213 ( -2.016 -4.572 0.000) 4.997 17.673 ( 2.737 -5.227 0.000) 5.901 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -0.000 13.449 0.000) 13.449 1.142 ( -0.000 10.464 0.000) 10.464 1.586 ( -0.000 7.314 0.000) 7.314 1.745 ( 0.000 -2.769 0.000) 2.769 2.288 ( 0.000 -19.316 0.000) 19.316 2.463 ( 0.000 -0.076 0.000) 0.076 2.705 ( 0.000 -2.488 0.000) 2.488 3.074 ( -0.000 2.411 0.000) 2.411 3.369 ( 0.000 -13.222 0.000) 13.222 3.610 ( -0.000 0.625 0.000) 0.625 3.791 ( 0.000 -1.243 0.000) 1.243 3.924 ( -0.000 10.559 0.000) 10.559 3.986 ( -0.000 5.237 0.000) 5.237 4.080 ( -0.000 2.029 0.000) 2.029 4.183 ( 0.000 -1.482 0.000) 1.482 4.524 ( 0.000 -7.747 0.000) 7.747 4.542 ( -0.000 2.066 0.000) 2.066 4.886 ( 0.000 -1.986 0.000) 1.986 5.096 ( -0.000 3.148 0.000) 3.148 5.215 ( 0.000 -2.280 0.000) 2.280 5.310 ( 0.000 -1.399 0.000) 1.399 6.394 ( -0.000 0.836 0.000) 0.836 6.490 ( 0.000 -2.155 0.000) 2.155 7.386 ( 0.000 -4.867 0.000) 4.867 7.509 ( -0.000 4.389 0.000) 4.389 8.532 ( 0.000 -4.915 0.000) 4.915 8.894 ( 0.000 -0.346 0.000) 0.346 10.721 ( -0.000 0.477 0.000) 0.477 10.850 ( -0.000 0.889 0.000) 0.889 12.776 ( -0.000 13.505 0.000) 13.505 13.154 ( -0.000 2.243 0.000) 2.243 13.720 ( 0.000 -1.314 0.000) 1.314 14.274 ( 0.000 -0.586 0.000) 0.586 14.822 ( 0.000 -2.909 0.000) 2.909 17.259 ( 0.000 -2.603 0.000) 2.603 17.770 ( 0.000 -4.690 0.000) 4.690 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 12.297 -0.000 0.000) 12.297 1.046 ( 14.379 -0.000 0.000) 14.379 1.721 ( -5.045 0.000 0.000) 5.045 2.265 ( -2.426 0.000 0.000) 2.426 2.300 ( -1.059 0.000 0.000) 1.059 2.396 ( 1.537 -0.000 0.000) 1.537 2.684 ( -7.627 0.000 0.000) 7.627 2.883 ( -6.673 0.000 0.000) 6.673 3.030 ( -2.064 0.000 0.000) 2.064 3.174 ( -7.902 0.000 0.000) 7.902 3.534 ( 4.692 -0.000 0.000) 4.692 3.665 ( -2.661 0.000 0.000) 2.661 4.013 ( 0.174 -0.000 0.000) 0.174 4.145 ( 1.561 -0.000 0.000) 1.561 4.304 ( 6.729 -0.000 0.000) 6.729 4.543 ( -1.956 0.000 0.000) 1.956 4.585 ( -2.750 0.000 0.000) 2.750 5.073 ( 3.966 -0.000 0.000) 3.966 5.232 ( 1.696 -0.000 0.000) 1.696 5.387 ( -3.743 0.000 0.000) 3.743 5.424 ( 0.636 -0.000 0.000) 0.636 6.591 ( -2.129 0.000 0.000) 2.129 6.676 ( 0.837 -0.000 0.000) 0.837 6.896 ( -1.774 0.000 0.000) 1.774 7.460 ( -6.488 0.000 0.000) 6.488 8.175 ( 3.796 -0.000 0.000) 3.796 8.896 ( -0.274 0.000 0.000) 0.274 10.719 ( 0.556 -0.000 0.000) 0.556 10.879 ( 0.741 -0.000 0.000) 0.741 13.180 ( 1.229 -0.000 0.000) 1.229 13.645 ( -0.445 0.000 0.000) 0.445 13.751 ( -4.894 0.000 0.000) 4.894 14.334 ( -1.887 0.000 0.000) 1.887 14.645 ( 3.286 -0.000 0.000) 3.286 16.833 ( 0.348 -0.000 0.000) 0.348 17.414 ( 2.322 -0.000 0.000) 2.322 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 11.736 -0.739 0.000) 11.760 1.201 ( 11.194 -2.640 0.000) 11.502 1.623 ( -14.745 -2.071 0.000) 14.890 2.008 ( -4.517 13.983 0.000) 14.695 2.446 ( -1.406 4.692 0.000) 4.898 2.460 ( 0.943 -5.071 0.000) 5.158 2.547 ( -5.351 -4.233 0.000) 6.822 2.945 ( -0.231 7.339 0.000) 7.343 2.959 ( -4.228 -12.697 0.000) 13.382 3.150 ( -1.211 -3.998 0.000) 4.177 3.587 ( 3.232 -2.439 0.000) 4.049 3.731 ( -0.255 -7.969 0.000) 7.973 4.016 ( -0.360 0.062 0.000) 0.365 4.104 ( 2.030 5.260 0.000) 5.638 4.394 ( 4.618 -2.478 0.000) 5.241 4.536 ( -1.737 -1.183 0.000) 2.102 4.546 ( -2.464 1.465 0.000) 2.867 5.080 ( 4.044 4.247 0.000) 5.864 5.227 ( 0.141 2.280 0.000) 2.284 5.319 ( -3.527 2.648 0.000) 4.410 5.403 ( 0.649 3.021 0.000) 3.090 6.548 ( -1.065 2.675 0.000) 2.879 6.655 ( 0.396 3.263 0.000) 3.287 6.933 ( -1.276 -6.087 0.000) 6.219 7.446 ( -5.826 -5.332 0.000) 7.898 8.224 ( 2.997 -1.732 0.000) 3.461 8.893 ( -0.213 0.048 0.000) 0.218 10.724 ( 0.490 0.069 0.000) 0.495 10.888 ( 0.184 -0.291 0.000) 0.344 13.183 ( 0.776 1.043 0.000) 1.300 13.594 ( 1.755 6.708 0.000) 6.934 13.691 ( -3.154 0.769 0.000) 3.246 14.316 ( -1.648 0.114 0.000) 1.652 14.674 ( 1.722 -0.327 0.000) 1.753 16.894 ( -1.050 -6.794 0.000) 6.875 17.450 ( 1.952 -1.850 0.000) 2.689 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 8.758 -3.218 0.000) 9.331 1.357 ( 6.990 -5.335 0.000) 8.793 1.544 ( -11.496 -6.627 0.000) 13.269 1.741 ( -6.037 12.348 0.000) 13.744 2.203 ( -2.276 15.945 0.000) 16.106 2.548 ( 0.207 -4.221 0.000) 4.226 2.644 ( -2.173 -4.812 0.000) 5.280 2.841 ( -0.309 1.548 0.000) 1.579 3.056 ( -1.788 -3.455 0.000) 3.891 3.347 ( 0.109 -19.184 0.000) 19.185 3.691 ( 7.159 -2.843 0.000) 7.703 3.825 ( -3.893 -3.503 0.000) 5.237 4.005 ( 4.035 1.119 0.000) 4.187 4.071 ( -1.601 -0.855 0.000) 1.815 4.441 ( 1.993 2.234 0.000) 2.993 4.486 ( -2.015 2.327 0.000) 3.078 4.549 ( -0.890 -1.913 0.000) 2.110 5.040 ( 2.855 4.316 0.000) 5.175 5.137 ( -1.860 7.336 0.000) 7.569 5.271 ( -0.807 0.892 0.000) 1.203 5.357 ( 0.823 3.397 0.000) 3.495 6.496 ( -0.397 2.723 0.000) 2.751 6.592 ( -0.054 4.647 0.000) 4.647 7.044 ( -0.292 -8.417 0.000) 8.422 7.483 ( -4.149 -5.389 0.000) 6.801 8.292 ( 1.937 -3.533 0.000) 4.029 8.890 ( -0.125 0.065 0.000) 0.141 10.728 ( 0.407 0.032 0.000) 0.408 10.888 ( -0.408 0.172 0.000) 0.443 13.162 ( 0.306 2.431 0.000) 2.450 13.486 ( 2.826 9.975 0.000) 10.368 13.667 ( -1.931 -0.831 0.000) 2.103 14.294 ( -1.096 0.759 0.000) 1.333 14.696 ( 0.636 -1.120 0.000) 1.288 17.001 ( -1.527 -7.964 0.000) 8.109 17.514 ( 1.383 -3.983 0.000) 4.216 ======================= Grid point 33 (23/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.000 -2.377 0.000) 2.377 1.425 ( -0.000 10.533 0.000) 10.533 1.574 ( 0.000 -5.075 0.000) 5.075 1.655 ( 0.000 -13.245 0.000) 13.245 1.948 ( -0.000 13.349 0.000) 13.349 2.581 ( -0.000 6.588 0.000) 6.588 2.612 ( 0.000 -3.485 0.000) 3.485 2.947 ( 0.000 -10.550 0.000) 10.550 3.101 ( 0.000 -4.240 0.000) 4.240 3.635 ( 0.000 -14.042 0.000) 14.042 3.701 ( -0.000 8.245 0.000) 8.245 3.855 ( 0.000 -7.872 0.000) 7.872 4.071 ( 0.000 -2.828 0.000) 2.828 4.084 ( 0.000 -2.733 0.000) 2.733 4.398 ( -0.000 8.934 0.000) 8.934 4.401 ( -0.000 1.916 0.000) 1.916 4.568 ( 0.000 -0.754 0.000) 0.754 4.993 ( -0.000 7.852 0.000) 7.852 5.034 ( 0.000 -1.422 0.000) 1.422 5.248 ( -0.000 1.860 0.000) 1.860 5.319 ( -0.000 1.838 0.000) 1.838 6.454 ( -0.000 2.382 0.000) 2.382 6.520 ( -0.000 3.865 0.000) 3.865 7.179 ( 0.000 -8.173 0.000) 8.173 7.527 ( 0.000 -2.934 0.000) 2.934 8.370 ( 0.000 -4.804 0.000) 4.804 8.889 ( 0.000 -0.004 0.000) 0.004 10.730 ( -0.000 0.096 0.000) 0.096 10.878 ( -0.000 0.680 0.000) 0.680 13.107 ( -0.000 5.104 0.000) 5.104 13.335 ( -0.000 10.273 0.000) 10.273 13.675 ( 0.000 -1.367 0.000) 1.367 14.276 ( -0.000 0.685 0.000) 0.685 14.728 ( 0.000 -2.446 0.000) 2.446 17.111 ( 0.000 -6.797 0.000) 6.797 17.598 ( 0.000 -5.458 0.000) 5.458 ======================= Grid point 40 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 11.341 -0.000 0.000) 11.341 1.270 ( 6.158 -0.000 0.000) 6.158 1.446 ( -15.115 0.000 0.000) 15.115 2.225 ( -1.163 0.000 0.000) 1.163 2.235 ( -4.112 0.000 0.000) 4.112 2.439 ( 2.311 -0.000 0.000) 2.311 2.600 ( -1.668 0.000 0.000) 1.668 2.770 ( -3.312 0.000 0.000) 3.312 3.010 ( -0.521 0.000 0.000) 0.521 3.140 ( 1.626 -0.000 0.000) 1.626 3.551 ( -1.358 0.000 0.000) 1.358 3.683 ( 2.424 -0.000 0.000) 2.424 4.006 ( -0.539 0.000 0.000) 0.539 4.168 ( 0.609 -0.000 0.000) 0.609 4.411 ( 3.178 -0.000 0.000) 3.178 4.516 ( -0.559 0.000 0.000) 0.559 4.540 ( -1.475 0.000 0.000) 1.475 5.164 ( 4.163 -0.000 0.000) 4.163 5.237 ( -0.560 0.000 0.000) 0.560 5.299 ( -4.076 0.000 0.000) 4.076 5.432 ( 0.270 -0.000 0.000) 0.270 6.562 ( -0.683 0.000 0.000) 0.683 6.690 ( 0.382 -0.000 0.000) 0.382 6.868 ( -0.784 0.000 0.000) 0.784 7.359 ( -2.702 0.000 0.000) 2.702 8.233 ( 1.516 -0.000 0.000) 1.516 8.892 ( -0.119 0.000 0.000) 0.119 10.728 ( 0.219 -0.000 0.000) 0.219 10.889 ( 0.238 -0.000 0.000) 0.238 13.199 ( 0.468 -0.000 0.000) 0.468 13.638 ( -0.183 0.000 0.000) 0.183 13.682 ( -1.720 0.000 0.000) 1.720 14.306 ( -0.720 0.000 0.000) 0.720 14.690 ( 1.092 -0.000 0.000) 1.092 16.839 ( 0.152 -0.000 0.000) 0.152 17.449 ( 0.925 -0.000 0.000) 0.925 ======================= Grid point 41 (25/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -0.000 0.632 0.000) 0.632 1.339 ( 0.000 -0.823 0.000) 0.823 1.361 ( 0.000 -6.209 0.000) 6.209 1.942 ( -0.000 16.340 0.000) 16.340 2.427 ( -0.000 1.263 0.000) 1.263 2.450 ( -0.000 2.764 0.000) 2.764 2.513 ( 0.000 -7.158 0.000) 7.158 2.913 ( 0.000 -13.897 0.000) 13.897 2.941 ( -0.000 7.239 0.000) 7.239 3.156 ( 0.000 -3.099 0.000) 3.099 3.617 ( 0.000 -7.779 0.000) 7.779 3.743 ( 0.000 -4.723 0.000) 4.723 4.008 ( 0.000 -0.747 0.000) 0.747 4.127 ( -0.000 4.918 0.000) 4.918 4.453 ( 0.000 -2.451 0.000) 2.451 4.509 ( -0.000 2.715 0.000) 2.715 4.520 ( 0.000 -0.890 0.000) 0.890 5.134 ( -0.000 5.023 0.000) 5.023 5.232 ( -0.000 4.970 0.000) 4.970 5.260 ( 0.000 -1.394 0.000) 1.394 5.410 ( -0.000 2.666 0.000) 2.666 6.537 ( -0.000 2.385 0.000) 2.385 6.660 ( -0.000 3.580 0.000) 3.580 6.920 ( 0.000 -6.322 0.000) 6.322 7.383 ( 0.000 -4.290 0.000) 4.290 8.257 ( 0.000 -1.988 0.000) 1.988 8.891 ( -0.000 0.051 0.000) 0.051 10.729 ( 0.000 -0.050 0.000) 0.050 10.890 ( -0.000 0.133 0.000) 0.133 13.192 ( -0.000 1.183 0.000) 1.183 13.627 ( -0.000 5.666 0.000) 5.666 13.642 ( 0.000 -0.592 0.000) 0.592 14.299 ( -0.000 0.423 0.000) 0.423 14.694 ( -0.000 0.091 0.000) 0.091 16.885 ( 0.000 -5.385 0.000) 5.385 17.471 ( 0.000 -2.152 0.000) 2.152 ======================= Grid point 83 (26/125) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.220 ( 0.000 0.000 12.121) 12.121 0.434 ( 0.000 0.000 20.602) 20.602 0.969 ( 0.000 0.000 43.373) 43.373 2.249 ( 0.000 0.000 -9.052) 9.052 2.263 ( 0.000 0.000 1.002) 1.002 2.802 ( 0.000 0.000 -7.836) 7.836 2.810 ( 0.000 0.000 -6.273) 6.273 2.997 ( 0.000 0.000 -2.252) 2.252 3.332 ( 0.000 0.000 -9.214) 9.214 3.350 ( 0.000 0.000 14.037) 14.037 3.764 ( 0.000 0.000 0.186) 0.186 3.984 ( 0.000 0.000 9.027) 9.027 4.041 ( 0.000 0.000 4.442) 4.442 4.113 ( 0.000 0.000 4.589) 4.589 4.123 ( 0.000 0.000 1.296) 1.296 4.617 ( 0.000 0.000 0.674) 0.674 4.822 ( 0.000 0.000 3.881) 3.881 4.964 ( 0.000 0.000 3.310) 3.310 5.050 ( 0.000 0.000 3.627) 3.627 5.056 ( 0.000 0.000 0.985) 0.985 5.359 ( 0.000 0.000 -9.763) 9.763 6.709 ( 0.000 0.000 -2.843) 2.843 6.847 ( 0.000 0.000 -4.503) 4.503 6.909 ( 0.000 0.000 -4.810) 4.810 7.724 ( 0.000 0.000 2.206) 2.206 7.984 ( 0.000 0.000 -0.271) 0.271 9.191 ( 0.000 0.000 25.670) 25.670 10.884 ( 0.000 0.000 5.142) 5.142 12.186 ( 0.000 0.000 -3.965) 3.965 13.045 ( 0.000 0.000 -6.441) 6.441 13.698 ( 0.000 0.000 2.592) 2.592 13.955 ( 0.000 0.000 2.607) 2.607 14.359 ( 0.000 0.000 -1.163) 1.163 14.439 ( 0.000 0.000 0.349) 0.349 16.838 ( 0.000 0.000 1.931) 1.931 17.334 ( 0.000 0.000 -1.880) 1.880 ======================= Grid point 84 (27/125) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 11.495 -2.824 12.118) 16.940 0.592 ( 18.406 -10.119 9.881) 23.213 1.102 ( 3.389 -14.098 36.951) 39.694 2.194 ( 0.467 7.089 -7.230) 10.137 2.350 ( -0.551 -10.406 1.655) 10.552 2.721 ( -2.679 3.300 -5.827) 7.212 2.779 ( 0.965 4.518 -6.585) 8.044 3.026 ( -0.665 0.495 2.553) 2.684 3.332 ( -4.860 -3.216 0.269) 5.834 3.400 ( 0.991 -4.415 -4.179) 6.159 3.769 ( -1.481 -1.360 -1.274) 2.381 3.914 ( -2.309 4.936 4.014) 6.768 4.050 ( -7.522 0.508 2.652) 7.992 4.076 ( 1.766 2.498 1.610) 3.457 4.171 ( 3.186 -2.768 5.178) 6.680 4.633 ( 2.204 -0.237 -0.251) 2.231 4.779 ( -0.463 3.389 2.276) 4.109 4.973 ( 1.630 1.147 3.241) 3.805 5.047 ( -1.265 -0.632 0.841) 1.645 5.111 ( 3.172 -3.588 3.989) 6.233 5.356 ( 0.180 0.881 -8.790) 8.836 6.578 ( 0.564 9.586 -2.550) 9.935 6.800 ( -2.135 8.923 0.697) 9.201 7.009 ( 0.674 -11.763 -3.900) 12.411 7.638 ( 0.581 4.232 3.692) 5.645 8.153 ( -3.918 -14.256 -9.127) 17.375 9.202 ( 2.042 0.220 25.698) 25.780 10.889 ( 0.586 -0.109 5.399) 5.431 11.970 ( -34.854 6.717 28.300) 45.396 12.964 ( 27.545 57.291 30.241) 70.396 13.052 ( 1.582 1.174 -5.543) 5.883 13.801 ( 0.138 1.512 3.425) 3.746 14.297 ( 0.800 0.830 -1.842) 2.173 14.734 ( -4.878 -9.691 -8.748) 13.937 17.150 ( -3.784 -19.737 -12.100) 23.458 17.375 ( -4.422 -8.762 -5.859) 11.430 ======================= Grid point 85 (28/125) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 7.489 -7.988 7.570) 13.311 0.963 ( 16.399 -10.648 11.532) 22.700 1.418 ( 8.778 -15.567 20.318) 27.060 2.048 ( 0.365 10.777 -2.484) 11.066 2.494 ( -2.239 -5.887 1.778) 6.544 2.659 ( -0.185 3.916 -3.193) 5.056 2.790 ( -0.920 -8.756 -5.782) 10.534 2.926 ( -3.652 7.379 6.984) 10.796 3.341 ( -3.305 -1.128 -4.146) 5.421 3.475 ( -1.645 -6.132 -3.670) 7.333 3.761 ( -2.930 1.304 -3.095) 4.457 3.793 ( -6.901 4.745 0.063) 8.375 3.896 ( -5.396 3.959 -0.820) 6.743 4.090 ( 2.957 -0.375 2.488) 3.883 4.238 ( 2.209 -0.974 2.204) 3.269 4.639 ( 2.540 3.477 1.501) 4.560 4.736 ( 0.742 1.979 2.712) 3.438 4.954 ( -1.745 0.977 1.016) 2.243 5.065 ( 2.817 -0.500 1.465) 3.214 5.186 ( 0.662 -2.905 4.443) 5.350 5.325 ( -0.959 2.468 -5.458) 6.066 6.468 ( 1.749 5.504 -1.782) 6.044 6.640 ( -1.172 8.551 0.543) 8.648 7.171 ( -2.100 -8.848 -1.431) 9.206 7.637 ( 4.982 0.119 -0.692) 5.031 8.268 ( -7.759 -8.271 -8.529) 14.190 9.216 ( 1.752 0.701 26.582) 26.649 10.897 ( 0.504 -0.027 6.437) 6.457 11.505 ( -17.001 10.613 49.569) 53.468 12.738 ( 22.753 15.613 2.298) 27.690 13.064 ( 1.184 -0.282 -6.305) 6.421 13.785 ( -0.230 0.754 2.698) 2.811 14.297 ( 1.531 0.823 -1.942) 2.606 14.758 ( -4.994 -1.977 -6.130) 8.150 17.276 ( 0.545 -2.933 -4.154) 5.114 17.471 ( -10.617 -10.893 -8.779) 17.563 ======================= Grid point 86 (29/125) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 6.847 -11.294 0.353) 13.212 1.252 ( 7.517 -10.242 18.114) 22.125 1.704 ( 11.366 -4.805 3.778) 12.905 1.905 ( 0.849 6.331 2.142) 6.738 2.470 ( -5.926 6.154 4.722) 9.762 2.580 ( -1.788 0.851 5.151) 5.519 2.787 ( -1.490 3.848 0.489) 4.155 2.973 ( -1.415 -10.600 -4.495) 11.600 3.286 ( -4.368 2.150 -1.050) 4.980 3.521 ( -4.406 -1.119 -4.532) 6.419 3.634 ( 0.555 6.400 -0.973) 6.497 3.722 ( -5.229 -5.371 -1.270) 7.603 3.891 ( -0.556 -3.580 -8.607) 9.338 4.125 ( 2.845 0.782 2.639) 3.959 4.246 ( 1.353 1.450 0.048) 1.984 4.577 ( -1.257 4.713 0.949) 4.969 4.727 ( 1.569 1.085 6.122) 6.412 4.919 ( -0.517 1.068 0.272) 1.217 5.096 ( 2.432 1.316 -0.933) 2.919 5.196 ( -2.324 0.737 1.057) 2.657 5.297 ( -0.066 -1.199 4.087) 4.260 6.433 ( 1.911 1.984 -1.333) 3.061 6.508 ( -0.585 6.720 -2.864) 7.328 7.246 ( -2.797 -4.394 0.899) 5.286 7.717 ( 6.272 -1.910 -4.144) 7.756 8.279 ( -7.381 -3.654 -4.810) 9.538 9.217 ( 0.858 0.778 27.622) 27.646 10.897 ( -0.142 0.258 8.615) 8.620 11.291 ( -4.657 4.045 39.318) 39.799 12.774 ( 11.640 4.152 -4.081) 13.015 13.082 ( 1.081 -0.370 -6.293) 6.396 13.772 ( -0.232 0.564 2.291) 2.370 14.301 ( 1.650 0.728 -1.680) 2.465 14.725 ( -3.923 -0.229 -5.482) 6.745 17.315 ( 2.000 -0.673 -2.561) 3.318 17.497 ( -8.716 -5.665 -5.583) 11.799 ======================= Grid point 87 (30/125) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 3.726 -7.109 -4.948) 9.428 1.422 ( 1.198 -4.029 21.542) 21.949 1.791 ( 7.827 1.348 0.877) 7.990 1.892 ( -0.134 -0.379 -0.750) 0.851 2.228 ( -6.612 9.170 8.832) 14.346 2.625 ( 0.282 -3.755 10.440) 11.098 2.750 ( -0.104 0.827 -2.961) 3.077 3.040 ( -1.091 -0.661 -3.432) 3.661 3.218 ( -2.279 0.923 -0.020) 2.459 3.507 ( -2.895 -3.274 -5.778) 7.245 3.563 ( 1.293 4.102 -3.677) 5.658 3.808 ( -0.403 -4.824 -3.726) 6.109 3.965 ( 0.303 -6.304 -6.529) 9.081 4.089 ( 0.865 6.176 -0.162) 6.238 4.249 ( 0.682 -0.313 1.115) 1.344 4.490 ( -1.553 2.934 3.407) 4.757 4.721 ( 0.065 0.657 3.968) 4.023 4.931 ( 2.278 -1.056 0.313) 2.531 5.047 ( -1.860 3.541 -3.103) 5.062 5.178 ( -0.307 -0.236 1.768) 1.810 5.330 ( 0.221 -1.503 9.006) 9.133 6.408 ( -0.025 2.425 -4.940) 5.504 6.447 ( 0.611 0.774 -1.759) 2.016 7.268 ( -1.117 -1.260 1.750) 2.429 7.796 ( 3.011 -1.120 -5.938) 6.751 8.253 ( -3.333 -0.899 -2.035) 4.007 9.213 ( 0.237 0.327 28.080) 28.083 10.890 ( -0.200 0.178 10.387) 10.390 11.232 ( -0.741 0.868 32.466) 32.486 12.818 ( 3.604 0.742 -5.567) 6.674 13.095 ( 0.442 -0.176 -6.300) 6.318 13.764 ( -0.085 0.215 1.979) 1.993 14.306 ( 0.760 0.290 -1.395) 1.615 14.696 ( -1.558 0.067 -5.414) 5.634 17.339 ( 1.301 -0.074 -2.315) 2.656 17.488 ( -3.619 -1.795 -3.884) 5.604 ======================= Grid point 93 (31/125) ======================= q-point: ( 0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 10.393 -0.000 15.541) 18.696 0.766 ( 26.253 -0.000 9.241) 27.832 1.064 ( 12.097 -0.000 34.255) 36.328 2.252 ( -0.106 0.000 1.465) 1.469 2.260 ( 0.803 -0.000 -7.585) 7.627 2.684 ( -6.949 0.000 -6.223) 9.328 2.873 ( 1.054 -0.000 -4.983) 5.093 2.999 ( -0.178 0.000 -3.129) 3.134 3.277 ( -6.469 0.000 11.660) 13.334 3.332 ( 0.083 -0.000 -8.045) 8.046 3.728 ( -3.234 0.000 -2.168) 3.894 3.898 ( -11.948 0.000 1.042) 11.993 3.995 ( -2.353 0.000 1.023) 2.566 4.130 ( 2.466 -0.000 6.672) 7.113 4.168 ( 3.189 -0.000 7.252) 7.922 4.625 ( 0.490 -0.000 1.420) 1.502 4.780 ( -3.349 0.000 3.889) 5.132 5.030 ( -1.909 0.000 0.142) 1.915 5.038 ( 6.279 -0.000 -2.236) 6.665 5.148 ( 7.803 -0.000 3.695) 8.634 5.369 ( 0.612 -0.000 -8.679) 8.701 6.683 ( -2.187 0.000 -2.478) 3.305 6.845 ( -0.068 0.000 1.942) 1.944 6.908 ( -0.291 0.000 -4.539) 4.548 7.639 ( -6.612 0.000 0.311) 6.620 8.007 ( 2.208 -0.000 -0.704) 2.318 9.230 ( 2.402 -0.000 26.033) 26.144 10.898 ( 1.278 -0.000 5.576) 5.720 11.672 ( -30.082 0.000 37.880) 48.372 13.056 ( 1.047 -0.000 -6.461) 6.545 13.695 ( -0.315 0.000 2.702) 2.720 13.927 ( -5.208 0.000 -5.015) 7.230 14.363 ( 3.563 -0.000 -3.326) 4.874 14.420 ( -1.736 0.000 0.060) 1.737 16.840 ( 0.169 -0.000 1.919) 1.926 17.323 ( 0.127 -0.000 -0.702) 0.714 ======================= Grid point 94 (32/125) ======================= q-point: ( 0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 12.733 0.065 10.847) 16.727 0.994 ( 11.413 -4.596 24.195) 27.144 1.349 ( 21.630 -10.379 13.412) 27.485 2.184 ( -1.857 7.057 -3.442) 8.068 2.352 ( 0.958 -8.166 0.110) 8.222 2.631 ( -5.481 -2.760 -4.613) 7.677 2.796 ( 0.079 6.421 -3.968) 7.549 2.981 ( -3.972 4.603 1.033) 6.166 3.225 ( -5.313 -5.935 1.863) 8.181 3.386 ( -1.475 -3.314 -2.380) 4.339 3.678 ( -12.259 1.723 -0.662) 12.397 3.740 ( -8.010 -2.394 -6.891) 10.835 3.966 ( -1.070 3.288 0.352) 3.475 4.118 ( 2.914 2.845 5.710) 7.014 4.240 ( 3.909 -2.449 7.089) 8.458 4.656 ( -0.331 -2.383 2.429) 3.419 4.738 ( -3.208 0.669 3.628) 4.889 4.978 ( -0.544 3.189 0.188) 3.240 5.112 ( 5.754 -0.187 -3.231) 6.602 5.210 ( 5.827 1.733 4.291) 7.441 5.359 ( -0.205 1.942 -7.119) 7.382 6.584 ( -0.254 6.980 -1.946) 7.251 6.756 ( -1.465 7.611 2.737) 8.220 7.012 ( -0.604 -9.026 -0.403) 9.055 7.613 ( -4.128 -4.489 -3.777) 7.173 8.086 ( -0.613 -5.946 -2.752) 6.581 9.244 ( 1.283 0.644 27.412) 27.449 10.910 ( 1.411 0.400 6.484) 6.648 11.398 ( -18.045 1.772 43.179) 46.831 13.067 ( 1.285 0.393 -6.344) 6.485 13.385 ( 11.099 31.493 1.125) 33.410 13.793 ( -1.375 1.565 1.226) 2.417 14.332 ( 2.109 1.513 -1.865) 3.197 14.608 ( -5.275 -9.885 -6.223) 12.817 17.024 ( -5.939 -18.099 -3.663) 19.397 17.338 ( 0.932 -1.069 -0.942) 1.703 ======================= Grid point 95 (33/125) ======================= q-point: ( 0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 12.829 -3.347 5.601) 14.393 1.183 ( 6.681 -7.555 25.208) 27.150 1.720 ( 15.542 -9.430 4.004) 18.615 2.021 ( -3.278 8.624 1.387) 9.330 2.444 ( -2.496 -1.872 0.201) 3.126 2.606 ( -5.356 3.673 1.439) 6.652 2.775 ( -1.679 -7.051 -3.888) 8.225 2.822 ( -4.278 4.675 -0.299) 6.344 3.265 ( -6.352 -0.728 -2.945) 7.039 3.407 ( -3.238 -6.720 0.539) 7.479 3.553 ( -7.157 -3.103 0.073) 7.801 3.769 ( -0.923 -2.746 -10.404) 10.800 3.862 ( 0.735 6.934 0.314) 6.980 4.133 ( 1.307 -1.478 2.811) 3.434 4.294 ( 3.371 0.814 3.319) 4.800 4.636 ( -1.960 3.788 1.316) 4.464 4.713 ( -2.877 -1.246 5.076) 5.966 4.939 ( 1.106 1.575 1.540) 2.465 5.161 ( 4.803 1.129 -2.886) 5.716 5.217 ( 1.981 2.766 5.245) 6.251 5.307 ( -0.817 2.672 -3.535) 4.506 6.498 ( 0.862 4.170 -1.168) 4.415 6.619 ( -0.726 7.937 0.137) 7.971 7.129 ( -1.656 -7.174 1.841) 7.590 7.669 ( -3.545 -6.553 -6.740) 10.047 8.158 ( -0.996 -4.382 -2.406) 5.097 9.239 ( 0.335 1.011 28.423) 28.443 10.912 ( 0.971 0.993 8.696) 8.806 11.252 ( -8.047 0.182 37.132) 37.995 13.048 ( 4.217 6.849 -4.958) 9.449 13.151 ( 9.868 11.913 -4.284) 16.051 13.769 ( -1.403 0.148 1.726) 2.229 14.329 ( 0.866 0.993 -1.747) 2.188 14.653 ( -3.913 -3.431 -5.711) 7.727 17.192 ( -7.805 -11.975 -3.990) 14.841 17.377 ( 1.833 -2.209 -1.583) 3.278 ======================= Grid point 96 (34/125) ======================= q-point: ( 0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 10.431 -5.464 -0.337) 11.780 1.363 ( 4.691 -6.875 22.720) 24.196 1.871 ( -4.486 5.228 3.537) 7.744 1.913 ( 5.241 -1.047 -0.774) 5.400 2.283 ( -11.500 9.831 8.387) 17.299 2.540 ( -1.361 -2.706 3.225) 4.424 2.740 ( -3.171 0.017 -3.314) 4.587 2.938 ( -1.650 -9.856 -4.253) 10.860 3.188 ( -5.245 -0.694 -2.370) 5.797 3.460 ( 1.333 -0.434 -1.128) 1.799 3.659 ( -0.509 -10.773 1.541) 10.894 3.705 ( 4.356 6.890 -3.244) 8.773 3.884 ( 0.117 -5.343 -10.274) 11.581 4.169 ( 0.960 -0.571 1.939) 2.237 4.282 ( 2.477 4.174 1.199) 5.000 4.532 ( -2.545 5.236 2.030) 6.165 4.694 ( -3.587 -0.811 3.246) 4.905 4.948 ( 2.177 0.114 2.026) 2.976 5.121 ( -0.915 6.300 -0.375) 6.377 5.196 ( 2.680 1.419 -0.524) 3.078 5.305 ( 0.618 -1.747 5.362) 5.673 6.458 ( 0.410 2.580 -0.885) 2.758 6.497 ( -0.419 5.981 -3.311) 6.849 7.210 ( -0.685 -4.762 2.461) 5.404 7.721 ( -6.287 -5.771 -7.018) 11.049 8.218 ( 2.230 -2.748 -1.485) 3.837 9.224 ( -0.146 0.876 28.525) 28.539 10.904 ( 0.995 1.026 10.625) 10.720 11.202 ( -4.012 -1.107 31.404) 31.679 12.968 ( 6.020 8.949 -5.224) 11.984 13.124 ( 3.535 2.727 -6.194) 7.636 13.756 ( -1.309 -0.264 1.789) 2.232 14.315 ( -0.753 0.779 -1.554) 1.894 14.664 ( -1.300 -1.900 -5.367) 5.840 17.257 ( -6.586 -6.307 -2.443) 9.441 17.447 ( 3.268 -3.029 -2.759) 5.241 ======================= Grid point 97 (35/125) ======================= q-point: (-0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 4.527 3.126 -5.097) 7.500 1.457 ( 2.121 -0.304 21.105) 21.214 1.715 ( -11.242 4.693 0.345) 12.187 1.923 ( -0.050 3.193 0.005) 3.194 2.130 ( -2.271 -5.825 11.094) 12.734 2.587 ( -2.984 -4.323 7.528) 9.179 2.720 ( -2.649 -1.241 -2.375) 3.768 3.027 ( -0.088 -3.455 -3.437) 4.874 3.203 ( -0.845 -4.180 -2.366) 4.877 3.486 ( 3.083 -0.104 -0.799) 3.186 3.633 ( 3.408 3.828 -5.575) 7.573 3.831 ( 2.648 -3.857 -4.961) 6.819 3.991 ( 2.136 -6.527 -5.898) 9.052 4.116 ( 1.291 9.110 -0.593) 9.220 4.243 ( -1.369 1.219 1.705) 2.503 4.467 ( -0.321 -0.444 4.190) 4.226 4.675 ( -3.584 -1.588 2.381) 4.587 4.939 ( -1.618 2.488 0.113) 2.970 5.053 ( 1.909 0.914 -0.892) 2.296 5.202 ( 2.428 1.058 0.644) 2.726 5.337 ( 0.412 -0.850 8.944) 8.994 6.406 ( -0.113 2.297 -5.146) 5.637 6.445 ( -0.842 1.340 -1.455) 2.150 7.271 ( 1.475 -2.539 2.201) 3.670 7.710 ( -9.120 -2.996 -5.516) 11.071 8.296 ( 5.475 -1.909 -2.204) 6.203 9.210 ( -0.436 0.417 28.080) 28.087 10.903 ( 1.398 0.708 10.620) 10.736 11.192 ( -2.918 -2.196 31.051) 31.265 12.880 ( 2.165 8.030 -5.891) 10.192 13.113 ( 1.324 1.931 -6.253) 6.677 13.751 ( -1.021 -0.696 2.040) 2.385 14.292 ( -1.822 0.270 -1.532) 2.395 14.693 ( 1.080 -1.867 -5.196) 5.626 17.274 ( -4.750 -3.505 -1.656) 6.131 17.533 ( 4.958 -2.296 -4.016) 6.781 ======================= Grid point 98 (36/125) ======================= q-point: (-0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -0.642 13.575 -2.086) 13.750 1.351 ( -7.466 11.562 11.578) 17.985 1.623 ( -4.154 -3.072 3.314) 6.138 1.839 ( -4.102 1.116 2.982) 5.193 2.355 ( 4.690 -14.634 8.375) 17.501 2.594 ( -1.687 -0.011 9.234) 9.387 2.727 ( -1.886 -3.034 -0.219) 3.579 3.060 ( 0.609 0.661 -1.670) 1.897 3.294 ( 3.424 -6.050 -2.530) 7.398 3.503 ( -0.053 0.724 -6.184) 6.227 3.643 ( 4.468 0.615 -5.574) 7.170 3.853 ( 3.987 4.095 -3.229) 6.565 3.970 ( 0.823 7.280 -3.806) 8.257 4.089 ( 0.647 -2.145 -0.248) 2.254 4.204 ( -4.017 -0.351 0.176) 4.036 4.527 ( 1.942 -3.824 2.718) 5.078 4.662 ( -4.524 -2.032 4.486) 6.687 4.904 ( -0.250 -1.055 0.787) 1.340 5.076 ( 0.493 -0.294 -2.166) 2.241 5.221 ( 3.103 0.045 -0.496) 3.142 5.332 ( 0.562 1.801 9.172) 9.364 6.400 ( -0.968 -0.271 -2.148) 2.371 6.430 ( -0.574 -2.596 -4.232) 4.998 7.320 ( 4.031 0.250 1.030) 4.168 7.635 ( -9.997 -0.559 -3.049) 10.466 8.380 ( 6.369 -0.485 -4.735) 7.951 9.201 ( -0.756 -0.033 27.363) 27.373 10.907 ( 1.189 0.661 8.686) 8.792 11.225 ( -1.115 -5.463 37.219) 37.635 12.746 ( -2.884 8.542 -5.734) 10.684 13.091 ( 0.001 1.591 -6.190) 6.391 13.757 ( -0.540 -1.033 2.484) 2.744 14.274 ( -1.703 -0.410 -1.702) 2.442 14.742 ( 2.246 -1.937 -5.178) 5.967 17.276 ( -2.852 -1.853 -1.528) 3.729 17.616 ( 6.093 -0.623 -6.098) 8.643 ======================= Grid point 99 (37/125) ======================= q-point: (-0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 1.632 15.019 1.608) 15.193 1.022 ( -11.801 15.892 3.846) 20.165 1.560 ( -2.502 7.786 16.128) 18.083 1.875 ( -1.221 -8.594 0.487) 8.694 2.554 ( 2.502 -1.627 4.375) 5.296 2.588 ( -0.701 -3.771 1.255) 4.036 2.809 ( 0.679 -8.646 7.519) 11.478 2.982 ( -0.241 9.919 -2.576) 10.251 3.389 ( 4.847 1.683 -6.351) 8.164 3.515 ( -2.748 -3.867 -7.848) 9.170 3.690 ( 2.780 -3.079 -2.074) 4.638 3.837 ( 1.903 1.260 -2.072) 3.083 3.939 ( 6.001 0.369 -1.406) 6.175 4.080 ( -0.939 2.150 4.351) 4.943 4.190 ( -4.338 -3.145 -2.340) 5.846 4.563 ( -2.034 -0.995 1.873) 2.939 4.674 ( -1.478 -3.508 3.880) 5.435 4.960 ( 2.213 -3.466 2.055) 4.598 5.052 ( -1.737 2.113 0.904) 2.881 5.239 ( 0.926 1.699 -0.896) 2.132 5.321 ( 1.828 0.310 2.165) 2.850 6.393 ( -1.382 -1.708 -1.030) 2.427 6.518 ( 0.322 -7.434 -2.756) 7.935 7.324 ( 4.159 6.059 -2.798) 7.863 7.551 ( -7.278 -1.761 1.771) 7.694 8.427 ( 4.792 2.584 -8.980) 10.502 9.194 ( -0.945 -0.151 26.520) 26.537 10.902 ( 0.232 0.829 6.517) 6.573 11.383 ( 3.310 -14.842 50.183) 52.436 12.552 ( -7.350 8.859 -4.730) 12.445 13.067 ( -0.347 1.082 -6.211) 6.314 13.771 ( -0.130 -1.071 2.875) 3.070 14.271 ( -0.894 -0.830 -1.905) 2.262 14.793 ( 1.973 -1.444 -5.435) 5.959 17.274 ( -1.189 -0.508 -1.852) 2.259 17.667 ( 5.408 2.338 -10.205) 11.784 ======================= Grid point 100 (38/125) ======================= q-point: (-0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -0.000 14.757 4.319) 15.376 0.671 ( -0.000 14.933 7.447) 16.687 1.349 ( -0.000 16.162 27.533) 31.926 2.036 ( 0.000 -11.258 -3.776) 11.874 2.521 ( -0.000 7.073 2.937) 7.658 2.654 ( 0.000 -4.154 -4.341) 6.008 2.803 ( -0.000 8.065 -6.488) 10.351 2.961 ( 0.000 -7.843 9.634) 12.422 3.403 ( -0.000 0.117 -7.850) 7.851 3.469 ( -0.000 6.175 -5.314) 8.146 3.771 ( 0.000 -2.611 -1.808) 3.176 3.857 ( 0.000 -2.965 -0.929) 3.107 4.032 ( 0.000 -1.597 0.020) 1.597 4.066 ( 0.000 -4.575 8.794) 9.912 4.182 ( -0.000 1.660 -1.252) 2.079 4.577 ( 0.000 -3.307 1.124) 3.493 4.719 ( 0.000 -3.299 1.978) 3.846 4.985 ( -0.000 2.951 3.397) 4.499 5.038 ( 0.000 -2.806 3.036) 4.134 5.185 ( -0.000 5.372 1.135) 5.490 5.341 ( 0.000 -1.065 -6.116) 6.208 6.445 ( 0.000 -6.009 -1.746) 6.258 6.656 ( 0.000 -9.407 0.588) 9.425 7.199 ( -0.000 11.221 -4.915) 12.250 7.563 ( 0.000 -3.655 4.901) 6.113 8.371 ( -0.000 8.494 -13.417) 15.880 9.189 ( 0.000 -0.073 25.989) 25.989 10.891 ( -0.000 0.546 5.627) 5.653 11.827 ( 0.000 -39.001 68.442) 78.774 12.341 ( -0.000 9.242 -4.576) 10.313 13.052 ( -0.000 0.559 -6.310) 6.334 13.786 ( 0.000 -0.860 3.129) 3.245 14.280 ( 0.000 -0.850 -2.000) 2.173 14.816 ( -0.000 0.414 -6.449) 6.462 17.264 ( -0.000 1.283 -3.118) 3.372 17.617 ( -0.000 9.312 -16.750) 19.165 ======================= Grid point 103 (39/125) ======================= q-point: ( 0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 14.178 -0.000 9.377) 16.998 1.057 ( 8.252 -0.000 29.552) 30.682 1.513 ( 22.129 -0.000 5.158) 22.722 2.270 ( 0.009 -0.000 -4.098) 4.098 2.273 ( 2.017 -0.000 0.452) 2.067 2.519 ( -8.144 0.000 -1.443) 8.271 2.858 ( -2.416 0.000 -0.552) 2.478 2.963 ( -3.765 0.000 -3.866) 5.396 3.123 ( -7.600 0.000 6.645) 10.095 3.348 ( 1.731 -0.000 -8.009) 8.194 3.515 ( -20.553 0.000 0.680) 20.565 3.645 ( -4.403 0.000 -6.547) 7.890 3.968 ( -0.183 0.000 -1.622) 1.632 4.220 ( 1.779 -0.000 8.011) 8.206 4.244 ( 6.807 -0.000 8.120) 10.596 4.624 ( -0.797 0.000 3.040) 3.143 4.704 ( -3.609 0.000 4.616) 5.860 5.010 ( 0.627 -0.000 -0.905) 1.101 5.165 ( 5.289 -0.000 -3.295) 6.231 5.299 ( 5.497 -0.000 1.031) 5.593 5.370 ( -0.803 0.000 -6.836) 6.883 6.632 ( -2.484 0.000 -1.406) 2.854 6.849 ( 0.549 -0.000 9.007) 9.024 6.890 ( -1.478 0.000 -4.235) 4.485 7.489 ( -7.540 0.000 -4.355) 8.707 8.071 ( 3.696 -0.000 -1.654) 4.049 9.258 ( 0.271 -0.000 28.667) 28.668 10.933 ( 1.877 -0.000 6.793) 7.048 11.249 ( -11.909 0.000 39.897) 41.636 13.084 ( 1.492 -0.000 -6.486) 6.655 13.686 ( -0.533 0.000 2.839) 2.889 13.784 ( -7.171 0.000 -7.624) 10.466 14.373 ( -2.569 0.000 -0.621) 2.643 14.474 ( 5.662 -0.000 -6.147) 8.358 16.845 ( 0.317 -0.000 1.894) 1.921 17.348 ( 1.966 -0.000 -1.434) 2.433 ======================= Grid point 104 (40/125) ======================= q-point: ( 0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 14.008 0.496 6.816) 15.587 1.166 ( 7.305 -3.494 27.613) 28.776 1.739 ( 10.020 -5.517 2.418) 11.691 2.123 ( -3.347 10.067 1.451) 10.708 2.383 ( 2.052 -4.993 -0.725) 5.447 2.521 ( -4.317 -5.822 -1.473) 7.396 2.748 ( -5.837 5.213 2.081) 8.097 2.890 ( -3.015 7.356 -3.930) 8.869 3.097 ( -6.995 -8.490 0.913) 11.038 3.287 ( -9.777 0.035 1.142) 9.843 3.456 ( -1.186 -5.134 -4.278) 6.787 3.643 ( -3.961 -5.763 -10.644) 12.735 3.965 ( 1.119 1.793 -1.551) 2.622 4.179 ( 2.317 4.835 8.160) 9.763 4.330 ( 4.577 -0.984 4.372) 6.406 4.629 ( -2.000 -1.351 3.272) 4.065 4.667 ( -3.282 0.089 5.105) 6.070 5.002 ( 2.823 2.709 -0.211) 3.918 5.211 ( 3.557 0.302 -2.934) 4.621 5.305 ( 2.284 3.694 1.424) 4.570 5.343 ( -0.926 2.317 -4.562) 5.200 6.568 ( -1.080 4.146 -0.794) 4.357 6.740 ( -0.345 7.881 2.741) 8.351 6.993 ( -0.841 -8.087 3.207) 8.740 7.477 ( -7.910 -7.382 -6.744) 12.749 8.127 ( 3.478 -2.021 -1.960) 4.475 9.252 ( -0.351 0.610 29.348) 29.356 10.943 ( 1.639 1.039 8.542) 8.760 11.163 ( -6.454 -1.033 34.819) 35.427 13.095 ( 1.279 0.634 -6.409) 6.566 13.510 ( 2.646 16.158 -4.120) 16.884 13.743 ( -3.014 -0.898 -0.054) 3.146 14.342 ( -1.526 0.589 -1.480) 2.206 14.568 ( 1.326 -3.876 -5.955) 7.228 16.939 ( -2.500 -10.135 0.360) 10.445 17.378 ( 2.423 -1.086 -1.857) 3.240 ======================= Grid point 105 (41/125) ======================= q-point: ( 0.44 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 12.443 -1.299 4.237) 13.209 1.315 ( 6.587 -6.015 22.844) 24.524 1.849 ( -5.508 -3.853 3.870) 7.756 1.937 ( -4.337 6.809 3.856) 8.947 2.347 ( -6.207 10.537 4.015) 12.871 2.524 ( -0.553 -0.774 -0.441) 1.049 2.682 ( -5.173 -2.758 -2.692) 6.451 2.799 ( -0.325 -1.811 -3.727) 4.156 3.103 ( -6.459 -2.013 -2.817) 7.329 3.373 ( -0.332 -14.239 0.626) 14.257 3.525 ( 2.732 -3.737 -1.353) 4.823 3.734 ( -2.037 -7.934 -12.920) 15.298 3.920 ( 4.621 6.976 1.028) 8.431 4.152 ( 0.315 0.014 5.552) 5.561 4.364 ( 3.135 1.740 0.448) 3.613 4.582 ( -3.299 3.495 2.391) 5.368 4.647 ( -2.438 -0.616 4.331) 5.009 4.994 ( 3.523 2.383 1.781) 4.611 5.197 ( -1.293 4.671 0.380) 4.861 5.268 ( 2.318 2.575 -3.071) 4.630 5.301 ( 0.382 1.208 1.961) 2.334 6.503 ( -0.240 3.138 -0.253) 3.158 6.609 ( -0.336 8.035 -0.561) 8.061 7.108 ( -0.248 -7.195 4.278) 8.374 7.521 ( -8.700 -8.159 -7.412) 14.042 8.204 ( 3.734 -3.076 -1.833) 5.173 9.235 ( -0.511 0.877 29.171) 29.189 10.939 ( 1.649 1.403 10.889) 11.102 11.134 ( -3.989 -1.628 29.824) 30.134 13.084 ( 0.859 2.377 -6.229) 6.722 13.325 ( 5.988 12.705 -5.858) 15.218 13.729 ( -2.277 -0.776 1.407) 2.787 14.313 ( -2.028 0.737 -1.771) 2.792 14.623 ( 0.606 -2.331 -5.290) 5.813 17.063 ( -4.385 -9.393 -0.521) 10.379 17.436 ( 2.957 -2.694 -2.487) 4.711 ======================= Grid point 106 (42/125) ======================= q-point: ( 0.56 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 9.294 -0.957 -0.127) 9.344 1.462 ( 3.607 -2.596 17.772) 18.319 1.698 ( -9.415 6.309 2.796) 11.673 1.903 ( -4.807 -6.097 7.628) 10.884 2.088 ( -6.217 10.550 8.110) 14.688 2.525 ( -0.007 -0.197 -0.979) 0.998 2.660 ( -3.992 -1.667 -1.997) 4.765 2.911 ( -0.825 -9.529 -3.399) 10.150 3.097 ( -3.207 -4.112 -3.442) 6.249 3.541 ( 4.301 -3.307 -4.489) 7.042 3.677 ( 2.086 -6.433 0.726) 6.801 3.793 ( 3.129 -1.743 -3.503) 5.010 3.915 ( 3.265 -2.653 -6.105) 7.414 4.165 ( -1.420 -1.186 3.473) 3.935 4.331 ( 1.863 6.294 -1.564) 6.748 4.483 ( -2.117 3.645 3.463) 5.455 4.627 ( -2.251 -0.085 2.093) 3.075 4.981 ( 0.905 3.600 0.506) 3.746 5.095 ( -1.113 3.707 2.052) 4.381 5.255 ( 2.299 1.918 -1.800) 3.493 5.318 ( 0.562 -1.729 5.954) 6.225 6.456 ( -0.309 2.796 -0.264) 2.825 6.488 ( -0.509 6.099 -3.710) 7.156 7.219 ( 1.496 -5.975 4.079) 7.388 7.542 ( -8.812 -5.696 -6.456) 12.320 8.299 ( 3.906 -3.711 -2.113) 5.787 9.216 ( -0.461 0.820 28.498) 28.513 10.937 ( 2.023 1.191 10.947) 11.195 11.123 ( -3.490 -1.831 29.030) 29.297 13.030 ( 1.090 5.957 -6.277) 8.722 13.215 ( 4.074 8.290 -6.455) 11.269 13.723 ( -1.644 -1.079 2.055) 2.844 14.279 ( -2.000 0.686 -1.822) 2.791 14.667 ( 0.883 -2.411 -4.885) 5.518 17.146 ( -3.673 -6.596 -0.673) 7.580 17.522 ( 3.113 -4.017 -3.483) 6.161 ======================= Grid point 107 (43/125) ======================= q-point: (-0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 1.799 11.943 -0.194) 12.079 1.418 ( -5.288 3.650 5.641) 8.550 1.594 ( 1.248 2.172 7.560) 7.964 1.856 ( -3.989 6.764 3.106) 8.445 2.114 ( -0.097 -17.646 12.896) 21.856 2.546 ( -0.681 -2.704 4.662) 5.432 2.661 ( -2.150 -2.478 -0.918) 3.406 3.033 ( 0.417 -5.433 -3.075) 6.257 3.169 ( -1.467 -7.975 -3.382) 8.786 3.589 ( 4.626 4.864 -1.349) 6.847 3.668 ( -0.321 0.066 -6.645) 6.653 3.922 ( 5.714 -2.165 -5.527) 8.239 4.018 ( -1.021 -6.238 -2.682) 6.867 4.126 ( -0.302 4.480 0.981) 4.596 4.199 ( -1.803 8.374 -1.266) 8.660 4.484 ( 1.477 -3.884 5.664) 7.025 4.602 ( -2.708 0.110 1.363) 3.034 4.907 ( -0.933 3.081 0.330) 3.236 5.078 ( 0.500 -0.287 -0.428) 0.719 5.256 ( 1.832 0.828 -0.324) 2.036 5.346 ( 0.353 -0.760 8.769) 8.809 6.406 ( 0.250 2.071 -4.716) 5.157 6.421 ( -1.107 2.054 -1.533) 2.792 7.330 ( 3.851 -4.540 3.549) 6.931 7.516 ( -7.819 -1.986 -5.134) 9.562 8.394 ( 2.874 -3.455 -3.404) 5.638 9.200 ( -0.348 0.581 27.675) 27.683 10.938 ( 1.461 1.271 8.603) 8.818 11.130 ( -2.245 -3.526 33.374) 33.635 12.907 ( 0.574 10.741 -6.396) 12.514 13.140 ( 0.871 4.460 -6.228) 7.710 13.730 ( -0.714 -1.416 2.552) 3.005 14.256 ( -1.136 0.073 -1.842) 2.165 14.718 ( 0.851 -2.825 -4.839) 5.668 17.202 ( -1.804 -4.256 -0.855) 4.701 17.618 ( 2.416 -4.046 -4.980) 6.857 ======================= Grid point 108 (44/125) ======================= q-point: (-0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -0.000 13.383 2.657) 13.645 1.223 ( -0.000 15.362 -0.714) 15.379 1.604 ( -0.000 0.007 10.226) 10.226 1.784 ( 0.000 -1.234 2.969) 3.215 2.405 ( 0.000 -15.985 8.212) 17.970 2.577 ( 0.000 -0.911 8.525) 8.573 2.701 ( 0.000 -4.393 1.417) 4.616 3.066 ( -0.000 1.570 -0.790) 1.758 3.327 ( 0.000 -12.150 -4.177) 12.848 3.513 ( -0.000 6.287 -8.002) 10.177 3.688 ( 0.000 -0.858 -6.637) 6.692 3.916 ( -0.000 7.269 -0.877) 7.322 4.005 ( -0.000 2.646 -0.829) 2.772 4.100 ( 0.000 -1.516 -5.762) 5.958 4.118 ( -0.000 1.231 3.627) 3.830 4.566 ( -0.000 1.400 1.242) 1.871 4.589 ( 0.000 -6.071 5.517) 8.203 4.903 ( 0.000 -2.937 1.547) 3.320 5.079 ( -0.000 1.045 -1.606) 1.916 5.257 ( -0.000 0.417 -1.058) 1.137 5.346 ( -0.000 0.938 7.920) 7.976 6.384 ( -0.000 1.176 -0.278) 1.208 6.426 ( 0.000 -3.865 -5.740) 6.919 7.442 ( 0.000 -4.600 4.956) 6.762 7.443 ( -0.000 3.658 -6.014) 7.039 8.454 ( 0.000 -1.646 -5.955) 6.179 9.191 ( -0.000 0.296 26.931) 26.933 10.923 ( -0.000 1.398 6.855) 6.996 11.208 ( 0.000 -8.121 40.938) 41.736 12.714 ( -0.000 13.039 -5.889) 14.307 13.092 ( -0.000 2.237 -6.122) 6.518 13.750 ( 0.000 -1.405 2.819) 3.149 14.254 ( 0.000 -0.561 -1.875) 1.957 14.768 ( 0.000 -2.657 -5.043) 5.700 17.245 ( 0.000 -2.290 -1.228) 2.599 17.686 ( 0.000 -2.376 -7.285) 7.663 ======================= Grid point 113 (45/125) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 12.973 -0.000 5.765) 14.196 1.216 ( 7.234 -0.000 25.481) 26.488 1.735 ( -2.672 0.000 2.344) 3.555 2.258 ( -1.081 0.000 -0.800) 1.345 2.327 ( 2.007 -0.000 1.408) 2.452 2.404 ( -2.413 0.000 0.831) 2.552 2.773 ( -4.590 0.000 5.229) 6.958 2.851 ( -6.285 0.000 -3.026) 6.976 2.999 ( -3.423 0.000 0.476) 3.456 3.194 ( -8.372 0.000 2.438) 8.720 3.394 ( 2.274 -0.000 -12.430) 12.636 3.554 ( -4.248 0.000 -8.688) 9.671 3.986 ( 1.690 -0.000 -1.409) 2.200 4.244 ( 0.620 -0.000 6.094) 6.125 4.378 ( 5.748 -0.000 6.336) 8.555 4.597 ( -1.460 0.000 4.572) 4.799 4.637 ( -2.863 0.000 4.760) 5.554 5.056 ( 3.421 -0.000 -1.641) 3.794 5.247 ( 2.389 -0.000 -3.377) 4.136 5.333 ( -2.664 0.000 -4.868) 5.550 5.366 ( 1.427 -0.000 1.805) 2.301 6.588 ( -1.633 0.000 -0.228) 1.649 6.853 ( -1.825 0.000 -4.226) 4.604 6.869 ( 1.321 -0.000 12.929) 12.996 7.336 ( -6.849 0.000 -7.275) 9.991 8.148 ( 3.423 -0.000 -2.542) 4.264 9.251 ( -0.675 0.000 29.822) 29.829 10.970 ( 1.569 -0.000 8.394) 8.540 11.100 ( -3.828 0.000 32.988) 33.209 13.113 ( 1.233 -0.000 -6.450) 6.567 13.656 ( -4.906 0.000 -8.549) 9.857 13.674 ( -0.589 0.000 2.692) 2.756 14.322 ( -2.127 0.000 -1.272) 2.479 14.574 ( 3.768 -0.000 -6.136) 7.201 16.852 ( 0.337 -0.000 1.875) 1.905 17.392 ( 2.032 -0.000 -2.107) 2.927 ======================= Grid point 114 (46/125) ======================= q-point: ( 0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 9.989 0.704 6.013) 11.680 1.316 ( 7.131 -3.071 19.964) 21.421 1.692 ( -10.423 -3.822 6.302) 12.766 2.054 ( -4.050 13.308 3.722) 14.400 2.419 ( 0.006 -1.020 -0.456) 1.117 2.468 ( -0.490 -6.307 -1.499) 6.501 2.609 ( -5.283 5.963 5.060) 9.437 2.861 ( -0.388 4.857 -6.128) 7.829 2.975 ( -4.433 -6.802 0.200) 8.122 3.173 ( -0.789 -6.139 3.362) 7.043 3.484 ( 2.044 -5.677 -9.321) 11.104 3.572 ( -2.715 -7.514 -11.964) 14.387 4.009 ( 2.655 -0.101 0.118) 2.660 4.207 ( 0.434 4.679 6.133) 7.727 4.420 ( 3.865 1.216 2.695) 4.866 4.580 ( -2.456 1.136 3.542) 4.458 4.616 ( -1.611 -1.117 5.904) 6.221 5.076 ( 3.875 2.172 -0.868) 4.527 5.245 ( -0.703 2.789 -2.222) 3.635 5.291 ( -1.424 0.671 -3.179) 3.548 5.352 ( 0.758 2.827 1.715) 3.393 6.548 ( -0.740 2.852 0.099) 2.948 6.734 ( -0.277 7.811 1.410) 7.942 6.986 ( 0.214 -7.810 7.422) 10.776 7.324 ( -6.144 -5.958 -8.333) 11.945 8.196 ( 2.716 -2.064 -2.611) 4.296 9.240 ( -0.596 0.492 29.659) 29.669 10.975 ( 1.398 0.972 10.221) 10.362 11.079 ( -2.376 -0.958 29.662) 29.772 13.117 ( 0.777 1.004 -6.380) 6.505 13.534 ( 0.221 8.299 -7.130) 10.943 13.688 ( -1.955 -1.310 1.309) 2.693 14.301 ( -1.720 0.346 -1.664) 2.418 14.612 ( 2.015 -0.807 -5.587) 5.994 16.907 ( -0.807 -6.069 1.297) 6.259 17.424 ( 1.749 -1.692 -2.415) 3.428 ======================= Grid point 115 (47/125) ======================= q-point: ( 0.56 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 5.970 -1.218 5.327) 8.093 1.452 ( 5.987 -4.714 13.062) 15.122 1.654 ( -9.170 -3.604 9.620) 13.770 1.817 ( -4.637 8.308 7.908) 12.371 2.259 ( -2.374 14.637 4.434) 15.477 2.539 ( 1.484 -1.834 -2.395) 3.362 2.589 ( -3.506 -3.062 -2.230) 5.161 2.792 ( -0.169 -1.195 -3.430) 3.636 3.018 ( -2.043 -2.954 -3.543) 5.045 3.378 ( 0.344 -16.280 2.112) 16.420 3.611 ( 4.553 -6.572 -7.220) 10.773 3.687 ( -2.713 -8.506 -11.426) 14.501 4.035 ( 5.767 3.739 2.606) 7.351 4.130 ( -2.823 1.795 5.048) 6.056 4.420 ( 2.205 2.797 -1.250) 3.775 4.510 ( -2.945 3.363 3.052) 5.413 4.620 ( -0.490 -0.054 4.502) 4.529 5.071 ( 3.716 3.735 0.911) 5.347 5.145 ( -3.215 5.555 0.204) 6.421 5.290 ( 0.166 -0.004 -2.079) 2.086 5.316 ( 0.651 1.658 2.473) 3.048 6.496 ( -0.239 2.872 0.250) 2.893 6.604 ( -0.179 8.188 -1.017) 8.253 7.117 ( 0.752 -8.036 7.333) 10.905 7.371 ( -4.561 -6.489 -8.478) 11.610 8.267 ( 1.750 -3.755 -2.408) 4.792 9.225 ( -0.316 0.772 29.072) 29.084 10.975 ( 1.507 0.981 10.322) 10.478 11.071 ( -2.031 -0.912 28.830) 28.916 13.095 ( 0.274 2.443 -6.352) 6.811 13.406 ( 1.946 9.652 -7.600) 12.438 13.688 ( -1.243 -1.123 2.174) 2.745 14.275 ( -1.119 0.868 -1.921) 2.387 14.643 ( 0.762 -1.465 -4.921) 5.190 17.005 ( -1.284 -7.324 0.532) 7.455 17.482 ( 1.257 -3.569 -2.950) 4.797 ======================= Grid point 116 (48/125) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 -2.864 4.125) 5.022 1.435 ( -0.000 10.772 1.795) 10.921 1.641 ( -0.000 0.297 11.899) 11.903 1.823 ( 0.000 -11.966 11.951) 16.912 2.017 ( -0.000 12.264 7.057) 14.150 2.533 ( -0.000 1.624 -3.178) 3.569 2.607 ( 0.000 -2.800 -0.177) 2.806 2.903 ( 0.000 -9.774 -3.006) 10.226 3.062 ( 0.000 -4.472 -3.597) 5.739 3.587 ( 0.000 -8.076 -5.415) 9.724 3.709 ( -0.000 1.508 -5.841) 6.032 3.823 ( 0.000 -12.801 -0.125) 12.802 3.977 ( -0.000 4.075 -1.692) 4.412 4.130 ( 0.000 -1.266 2.531) 2.830 4.354 ( -0.000 7.901 -3.321) 8.571 4.454 ( -0.000 0.317 4.779) 4.789 4.605 ( -0.000 1.241 2.155) 2.487 4.989 ( -0.000 7.338 -0.461) 7.352 5.082 ( -0.000 0.746 2.438) 2.550 5.280 ( -0.000 1.025 -1.066) 1.479 5.325 ( 0.000 -1.568 5.560) 5.777 6.452 ( -0.000 2.567 0.257) 2.580 6.481 ( -0.000 6.625 -4.070) 7.776 7.249 ( 0.000 -7.569 6.667) 10.087 7.429 ( 0.000 -4.069 -8.021) 8.995 8.343 ( 0.000 -4.404 -2.541) 5.084 9.210 ( -0.000 0.821 28.336) 28.348 10.968 ( -0.000 1.215 8.398) 8.485 11.077 ( 0.000 -1.667 31.259) 31.303 13.039 ( -0.000 5.272 -6.494) 8.364 13.261 ( -0.000 9.515 -7.012) 11.819 13.702 ( 0.000 -1.450 2.516) 2.903 14.256 ( -0.000 0.675 -1.957) 2.070 14.679 ( 0.000 -2.482 -4.664) 5.283 17.108 ( 0.000 -6.329 -0.166) 6.332 17.557 ( 0.000 -4.702 -3.811) 6.052 ======================= Grid point 123 (49/125) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 5.709 -0.000 4.076) 7.015 1.361 ( 7.020 -0.000 17.600) 18.948 1.545 ( -10.914 0.000 9.788) 14.660 2.236 ( -0.750 0.000 0.860) 1.141 2.276 ( -3.726 0.000 3.761) 5.294 2.417 ( 1.597 -0.000 -1.032) 1.902 2.728 ( -0.517 0.000 9.286) 9.300 2.743 ( -3.198 0.000 -2.543) 4.086 2.951 ( -1.630 0.000 -4.598) 4.879 3.151 ( 1.445 -0.000 2.486) 2.876 3.434 ( 1.675 -0.000 -14.281) 14.378 3.478 ( -2.859 0.000 -11.266) 11.623 4.023 ( 1.320 -0.000 1.074) 1.702 4.249 ( -0.018 0.000 2.926) 2.926 4.476 ( 3.382 -0.000 5.783) 6.699 4.575 ( -0.529 0.000 5.828) 5.852 4.583 ( -2.185 0.000 3.991) 4.550 5.130 ( 2.973 -0.000 -3.171) 4.347 5.265 ( -0.125 0.000 -2.378) 2.381 5.271 ( -2.688 0.000 -2.558) 3.711 5.383 ( 0.481 -0.000 2.027) 2.083 6.566 ( -0.520 0.000 0.422) 0.670 6.824 ( -0.810 0.000 -4.300) 4.376 6.896 ( 0.963 -0.000 16.231) 16.259 7.226 ( -3.117 0.000 -9.835) 10.317 8.200 ( 1.378 -0.000 -3.054) 3.350 9.239 ( -0.371 0.000 29.780) 29.783 10.993 ( 0.597 -0.000 9.569) 9.588 11.056 ( -0.863 0.000 29.820) 29.832 13.132 ( 0.481 -0.000 -6.374) 6.393 13.587 ( -1.711 0.000 -8.794) 8.959 13.664 ( -0.290 0.000 2.378) 2.396 14.291 ( -0.793 0.000 -1.598) 1.784 14.626 ( 1.284 -0.000 -5.766) 5.908 16.858 ( 0.149 -0.000 1.866) 1.872 17.423 ( 0.835 -0.000 -2.435) 2.574 ======================= Grid point 124 (50/125) ======================= q-point: (-0.44 -0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -0.000 0.625 5.588) 5.623 1.442 ( 0.000 -1.863 8.811) 9.006 1.504 ( 0.000 -5.425 16.888) 17.738 1.997 ( -0.000 15.238 5.019) 16.043 2.403 ( 0.000 -2.018 -0.087) 2.020 2.477 ( 0.000 -5.827 -2.213) 6.233 2.551 ( -0.000 7.725 5.508) 9.488 2.868 ( -0.000 7.397 -6.014) 9.533 2.915 ( 0.000 -10.324 -0.309) 10.329 3.181 ( 0.000 -5.600 3.537) 6.623 3.526 ( 0.000 -7.637 -7.024) 10.376 3.527 ( 0.000 -7.732 -16.848) 18.537 4.044 ( 0.000 -1.855 2.256) 2.921 4.207 ( -0.000 5.196 3.726) 6.394 4.470 ( -0.000 2.143 2.542) 3.325 4.546 ( -0.000 2.771 3.414) 4.397 4.598 ( 0.000 -2.094 6.298) 6.637 5.132 ( -0.000 1.599 -1.726) 2.353 5.216 ( -0.000 4.751 -1.589) 5.009 5.276 ( 0.000 -1.205 -1.955) 2.297 5.361 ( -0.000 2.762 1.628) 3.206 6.540 ( -0.000 2.562 0.399) 2.593 6.730 ( -0.000 7.619 0.660) 7.647 6.993 ( 0.000 -7.762 10.418) 12.992 7.253 ( 0.000 -5.006 -10.023) 11.204 8.226 ( 0.000 -2.290 -2.891) 3.688 9.233 ( -0.000 0.450 29.549) 29.553 10.993 ( -0.000 0.378 9.565) 9.572 11.053 ( 0.000 -0.203 29.525) 29.526 13.125 ( -0.000 1.170 -6.353) 6.459 13.534 ( -0.000 5.336 -8.577) 10.102 13.668 ( 0.000 -0.620 2.340) 2.420 14.282 ( -0.000 0.593 -1.759) 1.856 14.635 ( 0.000 -0.324 -5.398) 5.408 16.900 ( 0.000 -4.892 1.481) 5.111 17.443 ( 0.000 -1.969 -2.598) 3.260 ======================= Grid point 166 (51/125) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.000 0.000 16.024) 16.024 0.850 ( 0.000 0.000 19.361) 19.361 1.671 ( 0.000 0.000 19.868) 19.868 1.997 ( 0.000 0.000 -14.639) 14.639 2.319 ( 0.000 0.000 2.544) 2.544 2.704 ( 0.000 0.000 -3.606) 3.606 2.752 ( 0.000 0.000 10.070) 10.070 2.927 ( 0.000 0.000 -4.378) 4.378 3.086 ( 0.000 0.000 -13.783) 13.783 3.638 ( 0.000 0.000 11.854) 11.854 3.755 ( 0.000 0.000 -0.595) 0.595 4.150 ( 0.000 0.000 5.566) 5.566 4.170 ( 0.000 0.000 3.742) 3.742 4.175 ( 0.000 0.000 8.370) 8.370 4.251 ( 0.000 0.000 7.754) 7.754 4.632 ( 0.000 0.000 0.648) 0.648 4.915 ( 0.000 0.000 4.442) 4.442 4.927 ( 0.000 0.000 -4.284) 4.284 5.069 ( 0.000 0.000 -17.828) 17.828 5.073 ( 0.000 0.000 0.352) 0.352 5.293 ( 0.000 0.000 16.627) 16.627 6.632 ( 0.000 0.000 -4.167) 4.167 6.730 ( 0.000 0.000 -6.284) 6.284 6.749 ( 0.000 0.000 -10.661) 10.661 7.786 ( 0.000 0.000 3.515) 3.515 7.977 ( 0.000 0.000 -0.402) 0.402 9.903 ( 0.000 0.000 40.477) 40.477 11.034 ( 0.000 0.000 8.869) 8.869 12.069 ( 0.000 0.000 -6.994) 6.994 12.832 ( 0.000 0.000 -14.307) 14.307 13.773 ( 0.000 0.000 4.440) 4.440 14.017 ( 0.000 0.000 2.718) 2.718 14.333 ( 0.000 0.000 -0.960) 0.960 14.444 ( 0.000 0.000 -0.046) 0.046 16.897 ( 0.000 0.000 3.611) 3.611 17.277 ( 0.000 0.000 -3.510) 3.510 ======================= Grid point 167 (52/125) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 17.154 -4.413 12.308) 21.569 0.871 ( 4.830 -1.713 16.155) 16.949 1.755 ( 0.573 -8.469 19.074) 20.877 1.988 ( 2.331 2.793 -12.427) 12.948 2.390 ( -0.443 -8.805 0.926) 8.864 2.641 ( -1.139 4.026 -1.478) 4.437 2.731 ( 0.266 2.337 8.847) 9.154 2.984 ( -1.303 -5.841 -5.245) 7.958 3.139 ( 1.435 -4.746 -11.768) 12.770 3.559 ( -4.019 5.950 10.206) 12.479 3.740 ( -4.246 -0.070 -0.791) 4.320 4.005 ( -7.108 6.717 3.796) 10.490 4.115 ( -2.864 2.888 4.578) 6.123 4.167 ( -1.292 3.933 5.337) 6.754 4.317 ( 4.300 -0.095 7.153) 8.347 4.642 ( 3.355 -0.117 0.836) 3.460 4.843 ( -0.474 5.578 3.377) 6.538 4.960 ( 1.304 -1.547 -4.276) 4.730 5.034 ( -3.930 -1.050 -8.974) 9.853 5.131 ( 3.226 -1.174 -4.199) 5.424 5.337 ( 2.076 -3.301 14.887) 15.389 6.521 ( 0.748 7.558 -2.346) 7.949 6.697 ( -0.548 5.851 -9.155) 10.879 6.887 ( 1.817 -11.329 -7.427) 13.667 7.729 ( -2.010 3.365 4.811) 6.205 8.049 ( -1.075 -7.190 -2.992) 7.862 9.911 ( 1.504 -0.006 40.236) 40.264 11.045 ( 1.130 -0.561 9.225) 9.311 12.091 ( -2.597 -4.199 -4.177) 6.467 12.838 ( 0.588 -0.341 -14.147) 14.163 13.518 ( -0.387 32.295 18.892) 37.417 13.906 ( -1.559 3.527 6.392) 7.465 14.246 ( 0.446 2.327 -2.810) 3.676 14.580 ( -3.291 -7.643 -6.121) 10.330 17.019 ( -0.812 -12.373 -1.527) 12.493 17.291 ( -0.294 -1.941 -3.812) 4.288 ======================= Grid point 168 (53/125) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 6.322 -1.272 13.204) 14.694 1.113 ( 19.836 -8.961 6.742) 22.786 1.881 ( 0.559 -4.569 13.211) 13.990 1.964 ( 3.414 3.201 -5.051) 6.885 2.528 ( -2.680 -6.580 0.447) 7.119 2.593 ( 0.797 -0.000 -1.323) 1.544 2.756 ( -0.434 -7.220 7.829) 10.658 3.025 ( -4.131 -1.282 -0.060) 4.326 3.219 ( -0.579 -2.737 -7.654) 8.149 3.426 ( -2.118 3.813 1.495) 4.610 3.678 ( -5.861 0.530 -2.416) 6.362 3.812 ( -10.855 4.941 0.893) 11.961 3.962 ( -4.648 9.736 5.045) 11.910 4.139 ( 3.023 0.914 2.389) 3.960 4.315 ( 3.332 4.544 4.041) 6.934 4.666 ( 2.410 3.212 1.270) 4.212 4.797 ( 1.961 -0.025 2.758) 3.384 4.947 ( -1.938 1.532 -4.437) 5.078 5.055 ( -0.179 -2.616 -2.918) 3.922 5.157 ( 2.135 1.276 -4.567) 5.201 5.412 ( 0.517 -4.123 13.393) 14.022 6.444 ( 1.560 4.001 -0.367) 4.310 6.569 ( -0.380 8.862 -6.425) 10.953 7.075 ( 1.565 -9.536 -7.592) 12.289 7.675 ( -0.741 1.258 4.241) 4.485 8.139 ( -3.181 -6.424 -4.912) 8.690 9.929 ( 1.936 0.174 39.915) 39.962 11.071 ( 1.586 -0.849 10.108) 10.267 12.130 ( -6.159 -5.690 7.288) 11.110 12.852 ( 0.775 -0.099 -13.013) 13.036 13.010 ( 5.102 29.258 23.937) 38.145 13.865 ( -1.289 0.900 4.903) 5.149 14.237 ( 1.668 0.768 -3.746) 4.172 14.605 ( -4.696 -1.866 -8.187) 9.621 17.177 ( -1.019 -7.707 -3.974) 8.731 17.332 ( -2.156 -4.603 -5.054) 7.168 ======================= Grid point 169 (54/125) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 4.707 -3.749 8.213) 10.181 1.457 ( 17.831 -8.626 4.086) 20.225 1.893 ( 1.939 2.514 4.423) 5.445 1.965 ( 1.335 1.370 5.564) 5.883 2.512 ( -2.336 2.464 0.101) 3.397 2.676 ( -0.762 -6.560 4.301) 7.882 2.860 ( -4.580 -1.903 0.894) 5.039 2.948 ( -5.072 -2.083 9.279) 10.778 3.206 ( -3.397 -0.077 -7.074) 7.848 3.420 ( 1.086 -0.300 -3.439) 3.618 3.586 ( -5.158 4.014 -4.046) 7.687 3.712 ( -3.633 -3.822 -2.079) 5.668 3.792 ( -2.845 4.794 2.026) 5.932 4.147 ( 2.928 3.950 0.133) 4.918 4.275 ( 2.334 2.503 1.840) 3.885 4.614 ( -0.680 3.125 2.414) 4.007 4.831 ( 0.793 -0.317 2.806) 2.933 4.906 ( 0.105 1.598 -1.938) 2.514 5.054 ( 0.274 3.512 -2.387) 4.255 5.162 ( 0.642 -0.972 -3.266) 3.468 5.483 ( -0.432 -5.009 11.978) 12.991 6.371 ( -0.499 7.847 -6.431) 10.158 6.470 ( 1.755 2.396 2.047) 3.607 7.207 ( 0.432 -5.678 -5.707) 8.062 7.673 ( 1.026 -0.531 1.330) 1.762 8.185 ( -3.504 -3.910 -4.660) 7.020 9.943 ( 1.379 0.330 39.941) 39.966 11.099 ( 1.205 -0.693 11.149) 11.235 12.125 ( -7.244 -2.427 29.721) 30.688 12.724 ( 7.821 13.987 5.154) 16.834 12.881 ( 1.337 -0.099 -12.801) 12.871 13.840 ( -1.039 0.714 4.145) 4.332 14.249 ( 2.089 0.397 -3.417) 4.025 14.569 ( -4.202 0.025 -9.386) 10.283 17.251 ( 0.592 -2.630 -3.044) 4.066 17.375 ( -3.665 -4.247 -5.548) 7.889 ======================= Grid point 170 (55/125) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 2.031 -2.377 2.883) 4.253 1.740 ( 11.488 -7.010 1.885) 13.589 1.875 ( 1.339 1.836 9.171) 9.449 1.928 ( -3.079 2.514 4.249) 5.819 2.404 ( -3.947 4.803 7.109) 9.443 2.692 ( -0.757 1.284 -1.357) 2.015 2.866 ( -1.044 -4.962 10.162) 11.357 2.970 ( -2.743 -1.696 -2.139) 3.870 3.175 ( -1.932 0.110 -3.377) 3.892 3.421 ( 0.017 -0.648 -1.513) 1.646 3.478 ( -0.470 5.240 -4.028) 6.626 3.741 ( -0.905 -0.497 -2.113) 2.352 3.827 ( -0.149 -8.697 -5.114) 10.090 4.058 ( 1.024 7.895 -2.649) 8.390 4.294 ( 1.110 -1.020 2.559) 2.970 4.571 ( -0.597 1.208 3.694) 3.932 4.805 ( -1.640 1.169 3.863) 4.356 4.922 ( 2.799 -0.862 -1.700) 3.386 4.982 ( -1.182 3.701 -2.634) 4.694 5.186 ( 0.124 -0.891 -1.416) 1.678 5.551 ( -0.112 -2.981 11.150) 11.542 6.252 ( -0.435 4.602 -8.590) 9.754 6.474 ( 0.869 0.036 4.219) 4.308 7.266 ( -0.063 -1.749 -3.543) 3.952 7.697 ( 0.841 -0.573 -1.555) 1.858 8.198 ( -1.556 -1.253 -3.775) 4.271 9.948 ( 0.470 0.173 40.120) 40.123 11.115 ( 0.416 -0.249 11.898) 11.908 12.085 ( -2.713 -0.048 43.560) 43.644 12.658 ( 3.389 3.365 -8.812) 10.023 12.894 ( 0.448 -0.198 -13.023) 13.032 13.824 ( -0.414 0.309 3.634) 3.670 14.263 ( 1.076 0.099 -2.793) 2.994 14.532 ( -1.819 0.203 -10.278) 10.439 17.283 ( 0.642 -0.634 -2.686) 2.833 17.390 ( -1.860 -1.515 -5.044) 5.586 ======================= Grid point 176 (56/125) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 5.240 -0.000 17.396) 18.168 0.908 ( 27.696 -0.000 8.075) 28.850 1.688 ( 1.601 -0.000 17.726) 17.798 2.046 ( 4.303 -0.000 -12.489) 13.210 2.316 ( 0.077 -0.000 3.018) 3.019 2.636 ( -4.455 0.000 3.858) 5.894 2.801 ( 2.340 -0.000 3.530) 4.235 2.900 ( -2.203 0.000 -6.563) 6.922 3.113 ( 1.915 -0.000 -11.871) 12.024 3.542 ( -8.263 0.000 11.336) 14.028 3.679 ( -6.938 0.000 -2.167) 7.269 3.941 ( -15.905 0.000 3.404) 16.265 4.039 ( -6.156 0.000 2.742) 6.739 4.296 ( 6.207 -0.000 8.468) 10.499 4.340 ( 4.199 -0.000 8.487) 9.469 4.656 ( 1.861 -0.000 1.358) 2.304 4.885 ( -2.411 0.000 5.088) 5.630 4.974 ( 3.688 -0.000 -3.925) 5.386 4.982 ( -3.477 0.000 -8.159) 8.869 5.153 ( 3.208 -0.000 -8.510) 9.094 5.355 ( 5.251 -0.000 14.798) 15.702 6.614 ( -1.280 0.000 -4.004) 4.204 6.760 ( 0.503 -0.000 -9.658) 9.671 6.777 ( 3.962 -0.000 -5.956) 7.153 7.709 ( -6.708 0.000 4.921) 8.319 7.988 ( 1.089 -0.000 -1.141) 1.577 9.933 ( 2.381 -0.000 39.644) 39.716 11.059 ( 2.352 -0.000 9.454) 9.742 12.026 ( -3.734 0.000 3.119) 4.865 12.845 ( 1.181 -0.000 -14.097) 14.146 13.773 ( -0.065 0.000 4.621) 4.622 13.924 ( -9.956 0.000 3.553) 10.571 14.299 ( -0.431 0.000 -2.958) 2.989 14.414 ( -2.686 0.000 -0.796) 2.802 16.898 ( 0.154 -0.000 3.608) 3.611 17.279 ( 0.332 -0.000 -3.288) 3.305 ======================= Grid point 177 (57/125) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 8.343 3.320 14.075) 16.695 1.231 ( 23.758 -4.699 6.386) 25.046 1.783 ( 2.201 -7.755 15.070) 17.091 2.061 ( 3.877 3.781 -8.317) 9.925 2.383 ( 0.106 -6.967 1.339) 7.095 2.595 ( -3.065 -0.883 2.916) 4.322 2.742 ( 0.525 4.774 4.452) 6.549 2.938 ( -3.250 -4.099 -5.021) 7.251 3.162 ( -0.718 -3.030 -9.177) 9.690 3.426 ( -7.413 1.882 6.325) 9.925 3.600 ( -8.302 -0.457 -3.738) 9.116 3.733 ( -16.505 3.142 3.620) 17.187 3.986 ( -4.575 0.349 1.207) 4.745 4.271 ( 5.793 7.660 8.156) 12.600 4.387 ( 2.430 0.772 6.706) 7.174 4.695 ( 0.448 -1.265 0.706) 1.516 4.827 ( -1.082 2.754 4.352) 5.263 4.955 ( -1.061 0.314 -4.946) 5.068 5.028 ( 3.287 -1.793 -4.459) 5.822 5.183 ( 1.712 -0.081 -6.842) 7.053 5.409 ( 4.283 0.274 13.602) 14.263 6.541 ( 0.840 5.641 -2.032) 6.054 6.686 ( -0.436 6.482 -7.659) 10.043 6.939 ( 2.689 -9.836 -6.531) 12.109 7.640 ( -6.446 -1.029 4.994) 8.219 8.035 ( 0.398 -3.835 -2.524) 4.608 9.955 ( 2.093 0.283 39.255) 39.312 11.089 ( 2.978 -0.070 10.276) 10.699 12.006 ( -4.878 -2.734 13.786) 14.877 12.861 ( 1.459 -0.112 -13.709) 13.787 13.488 ( -2.844 25.937 9.607) 27.805 13.847 ( -3.487 -0.823 3.941) 5.326 14.274 ( 2.097 1.650 -3.648) 4.520 14.479 ( -5.186 -6.747 -5.914) 10.363 16.991 ( -1.526 -10.029 0.495) 10.157 17.292 ( 0.704 -0.962 -3.286) 3.495 ======================= Grid point 178 (58/125) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 9.024 1.603 9.855) 13.458 1.523 ( 16.262 -5.447 7.035) 18.537 1.918 ( 3.000 -4.137 9.728) 10.989 2.017 ( 0.973 4.332 -2.446) 5.069 2.472 ( -2.401 -4.236 1.419) 5.072 2.588 ( -1.926 -1.158 -0.806) 2.387 2.754 ( 0.157 -5.602 6.238) 8.385 2.891 ( -8.635 2.869 4.739) 10.259 3.142 ( -6.364 -1.340 -7.964) 10.282 3.393 ( -2.571 -2.039 -3.631) 4.894 3.525 ( -7.243 -0.960 -6.389) 9.706 3.603 ( -5.490 -4.348 1.913) 7.260 3.907 ( -0.881 6.344 2.456) 6.860 4.224 ( 4.120 3.936 5.377) 7.835 4.369 ( 1.791 4.149 3.539) 5.740 4.654 ( -2.083 3.714 0.343) 4.272 4.800 ( -2.446 -0.023 2.670) 3.620 4.957 ( 2.419 0.695 -1.067) 2.734 5.086 ( 2.782 -0.987 -4.121) 5.069 5.181 ( 0.216 1.691 -4.811) 5.104 5.437 ( 1.814 -0.609 12.861) 13.003 6.478 ( 1.478 4.703 -1.904) 5.284 6.559 ( -0.684 7.627 -4.023) 8.650 7.104 ( 1.171 -8.093 -5.415) 9.807 7.617 ( -5.216 -3.526 2.614) 6.817 8.102 ( 0.409 -3.956 -3.317) 5.179 9.964 ( 1.100 0.652 39.395) 39.416 11.118 ( 2.813 0.300 11.343) 11.690 12.001 ( -5.642 -3.407 26.943) 27.737 12.873 ( 1.088 0.614 -12.531) 12.593 13.108 ( 3.843 20.697 4.132) 21.452 13.828 ( -2.197 -0.304 3.794) 4.395 14.275 ( 1.120 0.724 -3.499) 3.744 14.501 ( -4.063 -2.817 -8.608) 9.927 17.126 ( -3.435 -9.281 -1.914) 10.080 17.323 ( 1.290 -1.614 -3.478) 4.045 ======================= Grid point 179 (59/125) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 7.779 0.937 4.663) 9.117 1.734 ( 7.035 -5.167 7.579) 11.560 1.928 ( -1.586 3.527 3.503) 5.218 1.969 ( 1.478 3.223 4.187) 5.487 2.427 ( -5.517 4.400 4.429) 8.332 2.636 ( -4.855 -7.984 2.554) 9.687 2.728 ( -5.339 0.091 6.032) 8.056 2.881 ( -1.258 -6.596 0.585) 6.741 3.114 ( -4.790 -2.597 -3.487) 6.469 3.392 ( -1.720 -1.658 -4.961) 5.507 3.520 ( -2.329 -2.769 -11.125) 11.698 3.718 ( 3.700 -9.071 -0.976) 9.845 3.792 ( 3.084 8.137 3.887) 9.531 4.211 ( 2.938 4.909 1.787) 5.994 4.305 ( 0.290 3.571 0.748) 3.660 4.583 ( -1.666 2.154 2.837) 3.933 4.759 ( -4.535 0.039 2.688) 5.272 4.963 ( 1.626 1.655 -1.024) 2.536 5.075 ( 1.723 5.460 -3.046) 6.485 5.174 ( 0.789 -1.013 -2.123) 2.481 5.488 ( 0.832 -4.056 11.245) 11.983 6.363 ( -0.368 9.073 -7.719) 11.918 6.494 ( 0.489 1.549 3.361) 3.733 7.215 ( 0.411 -4.874 -3.914) 6.265 7.630 ( -5.246 -4.371 0.281) 6.834 8.168 ( 1.993 -2.807 -3.597) 4.979 9.959 ( 0.081 0.756 39.770) 39.777 11.135 ( 2.158 0.877 12.165) 12.386 12.000 ( -4.856 -3.619 37.974) 38.454 12.826 ( 1.981 8.144 -7.561) 11.288 12.940 ( 4.341 6.132 -9.966) 12.481 13.813 ( -1.499 -0.410 3.541) 3.867 14.267 ( -1.032 0.373 -3.107) 3.295 14.506 ( -0.925 -1.519 -9.763) 9.924 17.206 ( -3.958 -5.789 -2.039) 7.303 17.371 ( 2.480 -1.930 -4.263) 5.296 ======================= Grid point 180 (60/125) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 4.682 4.354 1.314) 6.527 1.704 ( -12.895 5.455 0.591) 14.013 1.885 ( 0.948 2.041 13.631) 13.816 1.944 ( 1.899 1.547 1.280) 2.764 2.355 ( -0.299 -3.459 9.351) 9.974 2.659 ( -2.229 -2.221 -1.017) 3.307 2.787 ( -4.644 -9.042 8.349) 13.154 2.970 ( 1.540 -4.650 -1.326) 5.074 3.133 ( -2.349 -4.367 -2.073) 5.374 3.412 ( 0.709 -0.597 -6.615) 6.680 3.512 ( 0.996 2.238 -6.155) 6.625 3.752 ( 4.105 1.432 0.077) 4.348 3.902 ( 5.573 -5.903 -2.850) 8.604 4.085 ( 1.243 11.246 -2.488) 11.585 4.284 ( -2.436 -0.051 2.063) 3.193 4.559 ( -0.118 -0.321 3.907) 3.922 4.733 ( -4.053 -3.136 3.195) 6.039 4.932 ( -1.302 1.951 -0.804) 2.479 5.017 ( 2.804 3.684 -2.543) 5.282 5.196 ( 0.919 -0.110 -1.618) 1.864 5.558 ( 0.767 -2.612 11.119) 11.447 6.247 ( -0.015 3.854 -8.630) 9.451 6.475 ( -0.686 1.123 4.255) 4.454 7.271 ( 0.481 -1.575 -4.211) 4.521 7.635 ( -5.640 -3.339 0.476) 6.571 8.230 ( 3.702 -1.101 -4.417) 5.867 9.945 ( -0.666 0.541 40.023) 40.032 11.134 ( 1.280 1.445 12.252) 12.404 12.029 ( -2.499 -5.421 43.987) 44.390 12.707 ( 1.308 8.503 -10.129) 13.289 12.916 ( 1.536 2.178 -12.691) 12.968 13.813 ( -0.634 -0.947 3.610) 3.786 14.244 ( -2.438 0.094 -3.191) 4.017 14.536 ( 1.734 -1.624 -9.864) 10.146 17.236 ( -3.297 -3.026 -1.644) 4.767 17.429 ( 3.548 -1.076 -5.599) 6.715 ======================= Grid point 181 (61/125) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 2.266 8.653 4.042) 9.816 1.423 ( -16.430 9.368 1.804) 18.999 1.854 ( -1.335 0.692 5.011) 5.231 1.935 ( -0.906 -0.633 8.589) 8.660 2.471 ( 1.579 -5.248 2.692) 6.105 2.709 ( 1.609 -3.768 3.588) 5.446 2.863 ( -0.530 -5.520 9.095) 10.652 3.029 ( 1.907 1.281 0.512) 2.354 3.201 ( 0.310 -5.090 -6.592) 8.335 3.389 ( -1.601 1.728 -1.673) 2.889 3.545 ( 3.058 -3.810 -3.912) 6.259 3.802 ( 6.465 0.142 -1.166) 6.571 3.882 ( 2.971 10.068 -3.795) 11.162 4.050 ( 0.005 -4.244 -2.476) 4.914 4.238 ( -4.198 0.584 1.746) 4.584 4.578 ( 0.111 -1.447 1.785) 2.301 4.760 ( -3.778 -3.908 4.576) 7.105 4.920 ( 1.451 -1.351 0.365) 2.016 5.009 ( 0.805 -0.086 -3.885) 3.968 5.190 ( 0.454 1.886 -2.862) 3.458 5.563 ( 0.885 3.038 11.849) 12.264 6.265 ( 0.852 -5.319 -8.026) 9.666 6.443 ( -1.885 1.063 4.022) 4.567 7.271 ( 0.254 2.318 -6.792) 7.181 7.625 ( -4.338 -2.400 3.302) 5.957 8.271 ( 4.046 1.302 -5.899) 7.271 9.929 ( -1.101 0.290 40.120) 40.136 11.115 ( 0.286 1.885 11.584) 11.740 12.136 ( 2.098 -8.733 44.804) 45.695 12.582 ( -3.365 5.715 -9.080) 11.244 12.892 ( 0.124 1.800 -13.028) 13.153 13.829 ( 0.096 -1.389 4.177) 4.403 14.220 ( -2.173 -0.317 -3.545) 4.170 14.588 ( 2.640 -1.849 -9.535) 10.065 17.240 ( -2.060 -1.105 -1.622) 2.845 17.468 ( 3.811 1.247 -7.345) 8.368 ======================= Grid point 182 (62/125) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 2.315 9.447 9.153) 13.356 1.094 ( -14.395 10.616 5.408) 18.686 1.857 ( -1.351 -3.072 -2.004) 3.909 1.938 ( -0.652 0.286 11.807) 11.829 2.526 ( -0.243 -2.406 -1.853) 3.046 2.702 ( 1.173 6.336 7.137) 9.616 2.921 ( 1.798 9.424 -0.954) 9.642 3.022 ( 1.127 -5.962 7.916) 9.974 3.266 ( 3.161 0.864 -4.282) 5.392 3.360 ( -3.672 -3.207 -4.030) 6.326 3.666 ( 1.894 -6.400 -1.027) 6.753 3.813 ( 2.495 -0.639 0.128) 2.578 3.914 ( 8.236 -3.405 -0.320) 8.917 4.101 ( -1.411 -3.557 -1.263) 4.030 4.205 ( -4.168 -2.329 1.910) 5.142 4.596 ( -1.783 -1.708 1.116) 2.710 4.768 ( -1.815 -1.331 4.884) 5.378 4.969 ( 3.149 0.136 -4.313) 5.342 5.043 ( -1.066 -4.501 0.188) 4.629 5.148 ( -0.499 3.125 -5.540) 6.380 5.500 ( 0.732 5.527 12.393) 13.590 6.388 ( 1.196 -4.398 -2.176) 5.051 6.428 ( -2.002 -5.637 -2.096) 6.338 7.197 ( -0.446 6.837 -8.921) 11.249 7.634 ( -1.519 -2.749 5.777) 6.575 8.263 ( 2.612 4.419 -7.122) 8.779 9.914 ( -0.995 0.204 40.255) 40.268 11.084 ( -0.327 1.919 10.597) 10.774 12.296 ( 8.709 3.151 11.611) 14.852 12.536 ( -9.273 -16.571 25.248) 31.592 12.865 ( -0.352 1.374 -13.439) 13.513 13.855 ( 0.321 -1.425 4.946) 5.157 14.211 ( -1.076 -0.701 -3.839) 4.048 14.640 ( 2.050 -1.356 -9.016) 9.346 17.228 ( -0.796 0.822 -2.161) 2.445 17.456 ( 2.617 4.938 -9.035) 10.623 ======================= Grid point 183 (63/125) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -0.000 11.364 10.907) 15.752 0.886 ( -0.000 4.669 13.094) 13.902 1.884 ( -0.000 6.373 16.206) 17.414 1.915 ( 0.000 -4.468 -8.444) 9.553 2.569 ( -0.000 11.135 0.910) 11.172 2.572 ( 0.000 -3.858 -2.147) 4.415 2.763 ( -0.000 7.053 8.114) 10.751 3.067 ( -0.000 2.216 -2.353) 3.233 3.214 ( -0.000 5.203 -8.882) 10.294 3.457 ( 0.000 -8.430 5.361) 9.990 3.747 ( 0.000 -2.444 -0.250) 2.457 3.908 ( 0.000 -8.084 5.023) 9.518 4.031 ( 0.000 -4.337 0.416) 4.357 4.181 ( 0.000 -4.178 0.038) 4.178 4.227 ( 0.000 -5.238 5.516) 7.607 4.603 ( 0.000 -1.266 1.424) 1.905 4.782 ( 0.000 -2.041 4.283) 4.744 4.976 ( -0.000 0.645 -6.062) 6.096 5.088 ( -0.000 3.031 -9.819) 10.276 5.104 ( 0.000 -2.359 2.545) 3.470 5.409 ( -0.000 6.017 13.115) 14.430 6.425 ( 0.000 -3.670 0.494) 3.703 6.574 ( 0.000 -9.528 -7.701) 12.251 7.054 ( -0.000 10.326 -8.712) 13.510 7.678 ( 0.000 -3.472 5.949) 6.888 8.182 ( -0.000 7.375 -6.446) 9.795 9.905 ( -0.000 0.145 40.427) 40.427 11.054 ( -0.000 1.369 9.690) 9.786 12.207 ( -0.000 8.246 -8.024) 11.506 12.845 ( -0.000 0.846 -13.915) 13.941 12.943 ( 0.000 -34.982 39.682) 52.900 13.879 ( 0.000 -1.416 5.629) 5.804 14.220 ( 0.000 -1.011 -3.763) 3.897 14.659 ( -0.000 1.009 -8.251) 8.312 17.183 ( -0.000 5.645 -3.766) 6.786 17.366 ( -0.000 7.026 -7.745) 10.457 ======================= Grid point 186 (64/125) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 9.311 -0.000 13.111) 16.081 1.431 ( 19.677 -0.000 7.557) 21.078 1.740 ( 3.619 -0.000 10.421) 11.031 2.149 ( 4.832 -0.000 -7.463) 8.891 2.335 ( 1.941 -0.000 3.494) 3.997 2.538 ( -4.555 0.000 6.893) 8.262 2.818 ( -1.154 0.000 1.760) 2.104 2.845 ( -3.150 0.000 -7.600) 8.227 3.132 ( -0.744 0.000 -11.493) 11.517 3.333 ( -11.294 0.000 9.085) 14.494 3.506 ( -8.418 0.000 -6.241) 10.479 3.580 ( -16.301 0.000 6.917) 17.708 3.945 ( -2.503 0.000 -0.923) 2.668 4.382 ( -0.356 0.000 6.581) 6.591 4.425 ( 5.849 -0.000 8.702) 10.485 4.684 ( 0.608 -0.000 1.983) 2.075 4.825 ( -3.095 0.000 6.128) 6.865 4.954 ( 1.008 -0.000 -5.326) 5.420 5.054 ( 3.521 -0.000 -5.494) 6.526 5.200 ( 1.317 -0.000 -7.840) 7.950 5.469 ( 4.886 -0.000 12.801) 13.702 6.592 ( -0.738 0.000 -2.436) 2.546 6.754 ( -1.129 0.000 -8.624) 8.698 6.867 ( 4.288 -0.000 -5.119) 6.678 7.543 ( -8.478 0.000 7.481) 11.307 8.023 ( 2.262 -0.000 -2.831) 3.624 9.977 ( 1.429 -0.000 38.848) 38.874 11.124 ( 3.727 -0.000 11.023) 11.636 11.940 ( -4.012 0.000 22.258) 22.616 12.877 ( 1.799 -0.000 -13.463) 13.583 13.664 ( -12.693 0.000 -1.460) 12.777 13.768 ( -0.531 0.000 4.811) 4.841 14.343 ( -3.861 0.000 -2.578) 4.643 14.344 ( 3.766 -0.000 -6.085) 7.156 16.903 ( 0.307 -0.000 3.615) 3.628 17.296 ( 1.309 -0.000 -3.498) 3.735 ======================= Grid point 187 (65/125) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 10.217 3.116 9.832) 14.518 1.606 ( 10.406 -2.289 10.945) 15.275 1.847 ( 3.131 -6.904 5.710) 9.491 2.123 ( 1.894 6.833 -1.694) 7.290 2.400 ( 1.525 -3.479 1.252) 4.000 2.528 ( -3.100 -3.046 3.912) 5.847 2.737 ( -1.542 2.643 2.711) 4.088 2.844 ( -5.537 0.124 -2.924) 6.263 3.065 ( -7.135 2.167 -5.714) 9.395 3.285 ( -7.155 -5.224 -3.279) 9.446 3.436 ( -6.533 -1.319 -7.689) 10.176 3.466 ( -6.628 -4.201 8.971) 11.918 3.937 ( 0.068 -0.169 -1.639) 1.649 4.340 ( -0.645 3.856 5.602) 6.831 4.438 ( 3.690 3.866 6.280) 8.246 4.682 ( -0.728 1.557 1.360) 2.191 4.787 ( -2.429 0.788 5.708) 6.253 4.979 ( 2.569 -0.554 -2.537) 3.653 5.094 ( 2.652 -1.131 -5.985) 6.643 5.202 ( 0.061 0.892 -6.359) 6.421 5.490 ( 3.129 2.510 12.528) 13.154 6.553 ( 0.426 3.425 -0.636) 3.510 6.671 ( -1.102 6.904 -7.319) 10.121 6.989 ( 2.140 -7.818 -5.475) 9.781 7.486 ( -7.607 -3.338 7.301) 11.060 8.068 ( 2.434 -2.377 -3.636) 4.979 9.983 ( 0.468 0.511 38.946) 38.952 11.160 ( 3.621 0.515 12.042) 12.585 11.914 ( -3.659 -1.501 30.990) 31.241 12.894 ( 1.623 0.329 -12.874) 12.980 13.404 ( -4.642 14.810 -3.383) 15.885 13.785 ( -2.368 -1.767 3.689) 4.726 14.289 ( -1.768 1.105 -3.682) 4.231 14.422 ( 0.720 -3.548 -7.696) 8.505 16.964 ( -0.975 -6.694 2.183) 7.108 17.319 ( 1.682 -0.989 -3.768) 4.244 ======================= Grid point 188 (66/125) ======================= q-point: ( 0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 9.756 2.897 5.555) 11.594 1.723 ( 3.112 -3.124 10.896) 11.754 1.943 ( -2.869 -1.199 4.661) 5.603 2.023 ( 0.761 3.849 2.780) 4.808 2.423 ( -3.106 1.309 3.018) 4.524 2.508 ( -4.243 0.009 -0.254) 4.251 2.705 ( -5.861 2.697 5.074) 8.208 2.770 ( -0.197 -4.707 3.259) 5.728 3.016 ( -5.162 -2.644 -4.768) 7.508 3.311 ( -2.866 -5.839 -8.413) 10.634 3.424 ( -3.866 -4.033 -10.229) 11.655 3.587 ( 2.411 -11.214 4.550) 12.340 3.937 ( 3.949 3.255 0.002) 5.117 4.274 ( -0.593 2.787 4.164) 5.045 4.394 ( 1.610 5.393 2.777) 6.276 4.621 ( -0.984 4.048 1.651) 4.481 4.741 ( -2.583 2.023 4.504) 5.572 5.003 ( 2.028 1.183 -1.464) 2.766 5.135 ( 0.772 0.149 -4.681) 4.747 5.177 ( 0.102 0.696 -4.324) 4.381 5.477 ( 1.818 1.228 12.261) 12.456 6.500 ( 0.599 6.150 -3.612) 7.157 6.540 ( -0.978 5.774 -1.770) 6.117 7.125 ( 0.875 -7.036 -5.345) 8.879 7.483 ( -6.713 -5.231 5.738) 10.264 8.144 ( 2.780 -3.506 -4.127) 6.087 9.972 ( -0.273 0.918 39.302) 39.314 11.180 ( 2.934 1.248 12.863) 13.253 11.907 ( -3.401 -2.278 37.974) 38.194 12.893 ( 0.760 1.699 -11.955) 12.099 13.164 ( 1.718 13.064 -7.904) 15.365 13.782 ( -2.050 -1.072 3.440) 4.146 14.255 ( -2.547 0.556 -3.941) 4.725 14.475 ( 1.056 -2.203 -8.694) 9.031 17.062 ( -2.426 -7.208 0.676) 7.636 17.363 ( 2.147 -2.098 -4.305) 5.248 ======================= Grid point 189 (67/125) ======================= q-point: ( 0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 8.062 4.096 1.182) 9.119 1.673 ( -10.505 6.075 3.330) 12.584 1.917 ( 2.385 -0.422 11.749) 11.996 2.004 ( -0.053 2.938 1.837) 3.466 2.305 ( -5.196 1.813 9.992) 11.407 2.532 ( -3.287 -7.328 1.631) 8.195 2.658 ( -2.381 -1.801 3.166) 4.352 2.883 ( 1.236 -7.271 1.557) 7.537 3.022 ( -4.044 -4.555 -1.409) 6.252 3.388 ( 0.977 -4.139 -11.404) 12.171 3.470 ( -2.251 -4.643 -12.227) 13.271 3.816 ( 4.531 -11.439 2.448) 12.545 3.912 ( 7.821 6.868 2.363) 10.674 4.238 ( -2.358 1.067 2.622) 3.684 4.289 ( -0.112 8.791 -1.538) 8.925 4.566 ( 0.188 1.306 4.180) 4.383 4.679 ( -2.999 1.544 3.128) 4.601 4.970 ( -0.184 4.036 -1.571) 4.335 5.091 ( -0.273 3.051 -2.383) 3.881 5.203 ( 1.590 -0.782 -2.928) 3.422 5.511 ( 1.093 -3.327 11.223) 11.757 6.356 ( -0.293 9.141 -7.908) 12.090 6.494 ( -0.365 1.809 3.593) 4.039 7.227 ( 0.668 -4.693 -6.227) 7.826 7.502 ( -5.698 -5.148 5.467) 9.426 8.230 ( 2.904 -3.328 -4.768) 6.499 9.951 ( -0.595 1.009 39.630) 39.647 11.180 ( 1.919 1.960 12.986) 13.272 11.921 ( -2.655 -3.867 42.330) 42.589 12.843 ( 0.219 5.565 -11.267) 12.568 13.022 ( 2.965 8.364 -11.589) 14.597 13.783 ( -1.212 -1.385 3.452) 3.912 14.220 ( -2.444 0.358 -3.901) 4.617 14.521 ( 1.411 -2.129 -8.983) 9.339 17.136 ( -2.396 -5.393 0.006) 5.901 17.427 ( 2.309 -2.753 -5.373) 6.464 ======================= Grid point 190 (68/125) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 7.097 8.222 0.092) 10.861 1.418 ( -12.392 9.388 2.403) 15.732 1.896 ( -0.267 5.308 4.667) 7.073 1.936 ( -0.777 1.924 9.156) 9.388 2.369 ( 0.686 -9.248 9.362) 13.178 2.632 ( 0.137 -7.150 2.542) 7.590 2.706 ( -2.999 -7.814 6.317) 10.487 3.007 ( 1.840 -5.526 1.739) 6.079 3.079 ( -2.382 -6.921 -3.685) 8.195 3.436 ( 0.934 1.100 -11.461) 11.551 3.507 ( -0.655 -3.058 -7.713) 8.323 3.903 ( 8.215 3.467 3.162) 9.461 3.996 ( 1.878 -4.276 -0.503) 4.698 4.102 ( 0.575 12.576 -2.899) 12.919 4.192 ( -5.286 0.182 0.585) 5.322 4.580 ( 1.934 0.290 2.089) 2.862 4.656 ( -3.146 -3.855 4.738) 6.870 4.910 ( -0.630 1.423 -0.238) 1.575 5.049 ( 0.539 2.612 -2.533) 3.678 5.218 ( 0.776 0.605 -2.934) 3.094 5.575 ( 0.611 -2.453 11.537) 11.810 6.249 ( 0.134 3.049 -8.352) 8.893 6.457 ( -0.718 2.134 4.221) 4.784 7.283 ( 0.511 -1.374 -8.790) 8.912 7.528 ( -3.370 -4.237 7.073) 8.907 8.299 ( 2.068 -1.822 -5.869) 6.484 9.930 ( -0.522 0.852 39.889) 39.901 11.158 ( 0.743 2.517 12.383) 12.658 11.990 ( -1.083 -7.749 44.877) 45.554 12.720 ( 0.177 9.973 -11.206) 15.002 12.944 ( 0.871 4.398 -12.531) 13.309 13.801 ( -0.340 -1.817 3.907) 4.322 14.197 ( -1.397 -0.083 -3.821) 4.069 14.571 ( 1.119 -2.477 -9.176) 9.570 17.186 ( -1.280 -3.368 -0.465) 3.633 17.488 ( 1.700 -2.005 -6.913) 7.396 ======================= Grid point 191 (69/125) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -0.000 12.580 7.129) 14.460 1.150 ( -0.000 9.474 -0.333) 9.480 1.832 ( -0.000 1.339 0.475) 1.421 1.927 ( 0.000 -0.685 12.627) 12.646 2.480 ( 0.000 -3.896 0.563) 3.936 2.740 ( 0.000 -2.873 6.477) 7.085 2.851 ( 0.000 -12.637 10.602) 16.495 3.047 ( -0.000 2.485 -1.182) 2.752 3.202 ( 0.000 -9.062 -7.097) 11.510 3.370 ( -0.000 5.677 -2.286) 6.120 3.574 ( 0.000 -5.399 -4.498) 7.027 3.893 ( -0.000 8.218 -1.317) 8.323 3.976 ( -0.000 2.394 -0.969) 2.583 4.004 ( 0.000 -2.812 -2.845) 4.000 4.174 ( 0.000 -0.390 1.099) 1.167 4.578 ( -0.000 0.171 -0.209) 0.270 4.717 ( 0.000 -4.038 6.165) 7.370 4.938 ( 0.000 -4.982 1.426) 5.182 5.015 ( -0.000 2.087 -4.541) 4.998 5.197 ( -0.000 2.517 -4.119) 4.827 5.575 ( -0.000 2.890 12.192) 12.529 6.278 ( 0.000 -6.075 -7.785) 9.875 6.417 ( -0.000 1.984 4.080) 4.537 7.274 ( -0.000 2.901 -9.971) 10.385 7.573 ( 0.000 -3.610 7.429) 8.259 8.319 ( -0.000 0.959 -7.049) 7.114 9.915 ( -0.000 0.580 40.143) 40.147 11.120 ( -0.000 2.588 11.470) 11.758 12.161 ( 0.000 -14.773 46.422) 48.716 12.542 ( -0.000 11.794 -10.221) 15.607 12.894 ( -0.000 2.510 -12.989) 13.229 13.830 ( 0.000 -1.815 4.541) 4.890 14.195 ( 0.000 -0.524 -3.839) 3.875 14.618 ( 0.000 -2.451 -9.261) 9.580 17.218 ( 0.000 -1.429 -1.129) 1.821 17.512 ( -0.000 0.625 -8.575) 8.598 ======================= Grid point 196 (70/125) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 9.872 -0.000 9.060) 13.399 1.655 ( 3.682 -0.000 13.137) 13.643 1.810 ( 0.327 -0.000 3.345) 3.361 2.225 ( 2.244 -0.000 -2.642) 3.466 2.398 ( 3.822 -0.000 3.317) 5.061 2.462 ( -3.044 0.000 7.836) 8.406 2.763 ( -2.344 0.000 -0.855) 2.496 2.763 ( -4.702 0.000 -5.297) 7.083 3.083 ( -3.035 0.000 -15.769) 16.058 3.105 ( -9.856 0.000 5.157) 11.124 3.354 ( -4.978 0.000 13.818) 14.687 3.365 ( -5.150 0.000 -8.918) 10.299 3.943 ( 2.231 -0.000 -3.109) 3.827 4.327 ( -4.483 0.000 0.984) 4.590 4.534 ( 4.665 -0.000 8.089) 9.338 4.698 ( 1.007 -0.000 4.383) 4.498 4.762 ( -3.017 0.000 6.557) 7.218 5.001 ( 2.709 -0.000 -3.607) 4.511 5.109 ( 1.743 -0.000 -6.922) 7.138 5.210 ( -0.172 0.000 -6.148) 6.151 5.542 ( 2.160 -0.000 12.280) 12.469 6.583 ( -0.206 0.000 -0.306) 0.369 6.719 ( -1.920 0.000 -8.471) 8.686 6.944 ( 2.961 -0.000 -5.726) 6.447 7.383 ( -6.554 0.000 11.134) 12.920 8.074 ( 2.385 -0.000 -4.433) 5.034 9.988 ( -0.134 0.000 38.876) 38.876 11.202 ( 3.403 -0.000 12.946) 13.385 11.873 ( -2.349 0.000 36.139) 36.215 12.915 ( 1.667 -0.000 -12.475) 12.586 13.448 ( -7.821 0.000 -9.517) 12.319 13.749 ( -1.174 0.000 4.252) 4.411 14.269 ( -2.956 0.000 -4.168) 5.110 14.423 ( 3.394 -0.000 -7.780) 8.488 16.910 ( 0.341 -0.000 3.643) 3.659 17.327 ( 1.491 -0.000 -4.063) 4.328 ======================= Grid point 197 (71/125) ======================= q-point: ( 0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 8.308 2.967 6.353) 10.872 1.694 ( -0.701 -2.002 12.151) 12.335 1.840 ( -2.839 -5.415 5.147) 7.992 2.136 ( -0.575 9.430 3.399) 10.040 2.432 ( 0.212 0.535 1.492) 1.599 2.478 ( -0.781 -1.959 2.180) 3.033 2.678 ( -3.540 1.896 3.412) 5.269 2.760 ( -0.758 1.777 -1.588) 2.501 2.948 ( -4.673 1.265 -2.844) 5.615 3.163 ( -3.133 -8.112 -12.088) 14.891 3.316 ( -4.546 -3.035 -3.945) 6.740 3.436 ( 1.019 -9.581 5.951) 11.325 3.987 ( 4.322 -1.153 -2.723) 5.237 4.268 ( -5.028 1.026 -1.149) 5.258 4.526 ( 4.139 5.989 7.218) 10.252 4.670 ( -0.984 3.332 4.664) 5.815 4.744 ( -1.452 0.140 5.816) 5.996 5.033 ( 2.320 -0.542 -3.204) 3.993 5.135 ( 1.339 -1.091 -6.064) 6.305 5.188 ( -1.259 1.823 -5.109) 5.569 5.534 ( 1.203 2.740 12.347) 12.705 6.559 ( 0.109 2.441 0.999) 2.639 6.645 ( -1.143 6.388 -8.004) 10.304 7.026 ( 1.361 -6.101 -7.179) 9.519 7.351 ( -4.908 -3.265 12.104) 13.464 8.118 ( 1.988 -2.576 -4.847) 5.839 9.980 ( -0.425 0.608 39.056) 39.063 11.226 ( 2.514 0.811 13.666) 13.919 11.858 ( -1.729 -0.702 40.234) 40.277 12.923 ( 1.082 0.916 -11.937) 12.021 13.322 ( -2.912 7.021 -11.794) 14.031 13.745 ( -1.478 -0.918 3.464) 3.877 14.238 ( -2.099 0.536 -4.536) 5.027 14.464 ( 2.045 -1.225 -8.242) 8.579 16.951 ( -0.356 -4.467 2.946) 5.363 17.352 ( 1.312 -1.403 -4.380) 4.783 ======================= Grid point 198 (72/125) ======================= q-point: ( 0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 5.773 2.807 2.581) 6.919 1.666 ( -5.437 2.832 6.749) 9.118 1.909 ( 0.484 -4.203 8.967) 9.915 2.011 ( -1.274 2.750 7.813) 8.380 2.343 ( -2.974 7.798 3.588) 9.084 2.469 ( -0.334 0.914 -2.232) 2.435 2.624 ( -1.901 0.072 4.668) 5.041 2.793 ( 1.847 -5.137 6.175) 8.242 2.923 ( -3.449 -2.580 -4.365) 6.132 3.291 ( 0.265 -8.579 -16.535) 18.630 3.361 ( -1.972 -6.066 -7.405) 9.773 3.642 ( 1.901 -13.572 5.680) 14.835 4.056 ( 6.829 0.698 -1.525) 7.032 4.196 ( -5.894 0.742 -0.967) 6.019 4.443 ( 2.139 8.566 4.637) 9.973 4.598 ( -1.182 3.275 5.135) 6.204 4.707 ( -0.702 3.007 3.827) 4.917 5.050 ( 2.545 3.243 -2.576) 4.861 5.107 ( -2.465 2.019 -3.493) 4.728 5.192 ( 0.599 -2.199 -4.778) 5.293 5.504 ( 0.701 1.359 12.180) 12.276 6.505 ( 0.022 8.825 -6.938) 11.225 6.524 ( -0.437 2.924 1.673) 3.397 7.140 ( 0.476 -6.649 -8.860) 11.087 7.375 ( -2.971 -4.734 11.777) 13.036 8.190 ( 1.324 -4.058 -5.017) 6.587 9.963 ( -0.345 1.026 39.290) 39.305 11.227 ( 1.298 1.630 13.758) 13.915 11.860 ( -1.161 -1.556 42.615) 42.660 12.903 ( 0.262 2.517 -11.738) 12.008 13.186 ( 0.462 8.578 -12.962) 15.550 13.749 ( -0.896 -1.303 3.200) 3.570 14.210 ( -1.267 0.762 -4.454) 4.693 14.502 ( 0.918 -1.709 -8.408) 8.629 17.028 ( -0.777 -5.732 1.813) 6.062 17.398 ( 0.949 -2.747 -4.956) 5.745 ======================= Grid point 199 (73/125) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -0.000 3.259 -1.553) 3.610 1.508 ( -0.000 10.702 5.183) 11.891 1.956 ( -0.000 0.310 10.286) 10.291 1.985 ( -0.000 3.049 2.821) 4.154 2.247 ( 0.000 -2.106 12.754) 12.927 2.502 ( 0.000 -6.151 0.489) 6.170 2.630 ( 0.000 -1.766 3.226) 3.678 2.914 ( 0.000 -7.555 6.979) 10.285 2.962 ( 0.000 -5.027 -5.508) 7.457 3.409 ( 0.000 -5.226 -18.023) 18.765 3.437 ( 0.000 -4.637 -7.948) 9.202 3.869 ( 0.000 -12.274 3.690) 12.817 4.046 ( -0.000 6.382 1.910) 6.661 4.155 ( 0.000 -0.480 -0.192) 0.517 4.297 ( -0.000 10.976 -0.193) 10.978 4.575 ( 0.000 -1.449 6.304) 6.468 4.644 ( -0.000 3.862 1.694) 4.217 4.968 ( -0.000 5.878 -1.768) 6.138 5.084 ( -0.000 1.256 -2.005) 2.366 5.221 ( 0.000 -0.781 -3.516) 3.602 5.524 ( 0.000 -3.171 11.355) 11.789 6.352 ( -0.000 8.975 -7.907) 11.961 6.488 ( -0.000 2.124 3.621) 4.198 7.236 ( 0.000 -4.779 -10.140) 11.210 7.436 ( 0.000 -4.873 10.687) 11.745 8.263 ( 0.000 -3.796 -5.357) 6.565 9.943 ( -0.000 1.115 39.557) 39.573 11.202 ( -0.000 2.320 13.205) 13.408 11.893 ( 0.000 -3.806 43.822) 43.987 12.845 ( -0.000 5.394 -11.890) 13.056 13.053 ( -0.000 8.267 -12.673) 15.131 13.770 ( 0.000 -1.775 3.468) 3.895 14.192 ( -0.000 0.428 -4.137) 4.159 14.538 ( 0.000 -2.272 -8.683) 8.976 17.111 ( 0.000 -5.086 0.685) 5.132 17.453 ( 0.000 -3.221 -5.875) 6.700 ======================= Grid point 206 (74/125) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 4.647 -0.000 6.732) 8.180 1.659 ( -2.246 0.000 11.491) 11.708 1.767 ( -1.409 0.000 6.214) 6.372 2.245 ( 0.142 -0.000 -0.520) 0.539 2.397 ( -2.216 0.000 7.892) 8.197 2.470 ( 2.170 -0.000 5.174) 5.611 2.675 ( -2.786 0.000 -3.397) 4.394 2.790 ( 4.594 -0.000 -0.424) 4.614 2.923 ( -7.791 0.000 2.344) 8.136 3.042 ( -0.825 0.000 -19.700) 19.717 3.286 ( -2.228 0.000 -8.888) 9.163 3.327 ( 0.544 -0.000 13.870) 13.881 4.016 ( 3.614 -0.000 -2.267) 4.266 4.226 ( -4.181 0.000 -4.808) 6.372 4.621 ( 3.837 -0.000 7.516) 8.439 4.697 ( -3.288 0.000 6.648) 7.417 4.718 ( 0.674 -0.000 6.518) 6.552 5.045 ( 1.258 -0.000 -4.321) 4.501 5.129 ( 0.374 -0.000 -7.258) 7.267 5.201 ( -0.419 0.000 -4.098) 4.120 5.566 ( 0.433 -0.000 12.328) 12.335 6.581 ( -0.037 0.000 1.100) 1.101 6.688 ( -0.893 0.000 -8.781) 8.827 6.987 ( 1.100 -0.000 -8.809) 8.878 7.286 ( -2.494 0.000 16.033) 16.225 8.112 ( 1.010 -0.000 -5.315) 5.410 9.981 ( -0.311 0.000 39.033) 39.034 11.254 ( 1.374 -0.000 14.268) 14.334 11.842 ( -0.706 0.000 42.197) 42.203 12.941 ( 0.718 -0.000 -11.583) 11.605 13.341 ( -2.505 0.000 -14.011) 14.233 13.727 ( -0.734 0.000 3.153) 3.237 14.227 ( -1.001 0.000 -4.751) 4.855 14.473 ( 1.279 -0.000 -8.412) 8.508 16.916 ( 0.153 -0.000 3.672) 3.675 17.351 ( 0.639 -0.000 -4.452) 4.498 ======================= Grid point 207 (75/125) ======================= q-point: (-0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.000 2.330 4.985) 5.503 1.650 ( 0.000 -0.532 10.194) 10.208 1.814 ( 0.000 -5.865 7.536) 9.549 2.124 ( -0.000 10.316 5.736) 11.804 2.415 ( -0.000 0.867 1.382) 1.631 2.487 ( -0.000 0.059 1.455) 1.456 2.631 ( -0.000 2.433 2.962) 3.833 2.789 ( -0.000 3.404 3.508) 4.888 2.870 ( 0.000 -1.980 -4.006) 4.469 3.142 ( 0.000 -9.636 -18.457) 20.821 3.263 ( 0.000 -2.903 -2.078) 3.570 3.454 ( 0.000 -10.936 6.011) 12.479 4.063 ( 0.000 -3.008 -0.836) 3.122 4.186 ( -0.000 1.951 -5.796) 6.116 4.586 ( -0.000 7.000 7.572) 10.312 4.642 ( -0.000 2.833 5.665) 6.334 4.731 ( -0.000 0.265 5.719) 5.725 5.062 ( 0.000 -1.313 -4.266) 4.464 5.154 ( 0.000 -2.437 -6.310) 6.764 5.163 ( -0.000 4.289 -3.520) 5.549 5.546 ( -0.000 2.549 12.392) 12.651 6.560 ( -0.000 2.260 1.662) 2.806 6.632 ( -0.000 6.072 -8.405) 10.369 7.041 ( 0.000 -5.503 -9.676) 11.131 7.298 ( 0.000 -2.974 15.794) 16.072 8.140 ( 0.000 -2.776 -5.295) 5.979 9.974 ( -0.000 0.629 39.113) 39.118 11.254 ( -0.000 0.858 14.300) 14.325 11.840 ( 0.000 -0.374 42.931) 42.933 12.935 ( -0.000 1.228 -11.515) 11.581 13.291 ( -0.000 4.628 -14.271) 15.003 13.728 ( 0.000 -0.701 2.983) 3.065 14.216 ( -0.000 0.707 -4.731) 4.784 14.487 ( 0.000 -0.871 -8.391) 8.436 16.948 ( 0.000 -3.736 3.155) 4.890 17.367 ( 0.000 -1.605 -4.625) 4.896 ======================= Grid point 249 (76/125) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.000 0.000 18.557) 18.557 1.233 ( 0.000 0.000 17.376) 17.376 1.657 ( 0.000 0.000 -17.773) 17.773 1.785 ( 0.000 0.000 -5.419) 5.419 2.347 ( 0.000 0.000 3.730) 3.730 2.670 ( 0.000 0.000 0.474) 0.474 2.786 ( 0.000 0.000 -14.461) 14.461 2.822 ( 0.000 0.000 -5.399) 5.399 3.268 ( 0.000 0.000 32.667) 32.667 3.758 ( 0.000 0.000 1.018) 1.018 3.789 ( 0.000 0.000 2.667) 2.667 4.236 ( 0.000 0.000 0.428) 0.428 4.291 ( 0.000 0.000 7.239) 7.239 4.318 ( 0.000 0.000 5.309) 5.309 4.390 ( 0.000 0.000 4.621) 4.621 4.612 ( 0.000 0.000 -12.329) 12.329 4.682 ( 0.000 0.000 -7.553) 7.553 4.821 ( 0.000 0.000 -5.565) 5.565 4.992 ( 0.000 0.000 2.862) 2.862 5.065 ( 0.000 0.000 -1.026) 1.026 5.682 ( 0.000 0.000 20.045) 20.045 6.470 ( 0.000 0.000 -16.008) 16.008 6.556 ( 0.000 0.000 -2.689) 2.689 6.607 ( 0.000 0.000 -5.048) 5.048 7.861 ( 0.000 0.000 3.527) 3.527 7.962 ( 0.000 0.000 -1.162) 1.162 10.763 ( 0.000 0.000 39.249) 39.249 11.231 ( 0.000 0.000 9.216) 9.216 11.918 ( 0.000 0.000 -6.350) 6.350 12.444 ( 0.000 0.000 -22.825) 22.825 13.875 ( 0.000 0.000 5.121) 5.121 14.038 ( 0.000 0.000 -1.169) 1.169 14.339 ( 0.000 0.000 1.683) 1.683 14.430 ( 0.000 0.000 -1.318) 1.318 16.985 ( 0.000 0.000 4.746) 4.746 17.191 ( 0.000 0.000 -4.655) 4.655 ======================= Grid point 250 (77/125) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 11.815 -3.603 16.055) 20.257 1.227 ( 1.383 0.749 17.441) 17.512 1.688 ( 4.855 -0.396 -15.989) 16.714 1.837 ( -0.080 -5.223 -7.326) 8.998 2.409 ( -0.532 -7.742 3.540) 8.530 2.642 ( 0.012 2.744 2.059) 3.431 2.792 ( -2.724 -4.015 -10.929) 11.957 2.884 ( 3.037 -3.404 -7.895) 9.118 3.280 ( -1.100 -2.304 30.411) 30.518 3.691 ( -4.777 5.052 2.767) 7.483 3.753 ( -5.673 1.264 1.140) 5.923 4.087 ( -10.221 8.197 3.971) 13.691 4.186 ( -8.843 2.541 0.386) 9.209 4.286 ( 7.057 9.859 6.425) 13.722 4.415 ( 4.217 4.022 0.448) 5.845 4.634 ( 1.720 -0.092 -13.128) 13.240 4.693 ( 1.836 -1.718 -3.239) 4.100 4.878 ( 1.506 -3.974 -5.427) 6.893 4.934 ( 0.371 3.003 4.976) 5.824 5.113 ( -0.079 -2.512 -1.511) 2.933 5.701 ( 1.102 -1.288 18.944) 19.020 6.435 ( -1.033 3.767 -13.648) 14.196 6.514 ( 2.354 2.548 -0.056) 3.469 6.722 ( 1.835 -8.631 -7.927) 11.862 7.830 ( -1.725 1.757 4.790) 5.386 7.992 ( -0.848 -3.411 -2.887) 4.549 10.765 ( 0.557 0.141 38.856) 38.861 11.248 ( 1.472 -1.072 9.369) 9.544 11.964 ( 3.097 -3.610 -6.123) 7.753 12.456 ( 1.102 -0.788 -22.294) 22.335 13.799 ( -0.661 10.377 9.706) 14.224 14.020 ( -1.382 1.488 1.929) 2.801 14.217 ( -1.915 6.956 2.018) 7.492 14.462 ( -3.199 -1.963 -5.750) 6.867 17.038 ( -0.139 -5.938 2.707) 6.527 17.205 ( 0.048 -1.590 -4.407) 4.686 ======================= Grid point 251 (78/125) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 7.005 -0.928 16.017) 17.506 1.307 ( 11.573 -4.928 12.148) 17.487 1.760 ( 7.121 -0.439 -11.712) 13.714 1.910 ( 0.162 -3.466 -9.268) 9.897 2.537 ( -2.769 -6.900 2.407) 7.815 2.626 ( 0.731 -2.947 4.161) 5.151 2.850 ( -1.740 -5.263 -6.934) 8.878 2.964 ( 1.709 -3.207 -7.668) 8.486 3.325 ( -2.867 -5.650 24.206) 25.021 3.501 ( -7.965 9.000 4.093) 12.696 3.644 ( -8.598 2.852 -1.660) 9.210 3.847 ( -10.246 7.327 2.535) 12.849 4.022 ( -6.103 7.500 0.228) 9.672 4.217 ( 5.886 6.956 3.879) 9.903 4.349 ( 3.759 7.919 -1.304) 8.862 4.652 ( 5.406 3.351 -11.834) 13.435 4.730 ( -2.340 -3.579 1.245) 4.454 4.917 ( 0.975 -0.953 1.831) 2.283 4.969 ( 2.058 -2.922 -2.367) 4.287 5.118 ( 0.018 1.648 -1.837) 2.468 5.730 ( -0.086 -1.333 16.195) 16.250 6.337 ( -1.402 6.760 -11.302) 13.244 6.530 ( 3.224 -0.562 4.558) 5.612 6.884 ( 2.639 -8.302 -10.111) 13.346 7.788 ( -1.817 0.964 6.158) 6.492 8.037 ( -1.829 -3.747 -5.228) 6.687 10.770 ( 0.871 0.196 38.104) 38.114 11.289 ( 2.038 -1.528 9.587) 9.919 12.087 ( 5.128 -6.217 -5.691) 9.866 12.489 ( 1.721 -1.346 -20.857) 20.971 13.534 ( -3.446 18.105 22.390) 28.999 13.972 ( -2.400 1.592 4.027) 4.951 14.151 ( 1.070 1.620 -3.391) 3.907 14.421 ( -5.001 1.049 -9.581) 10.859 17.136 ( -0.469 -5.997 -0.020) 6.015 17.239 ( -0.365 -2.716 -4.061) 4.899 ======================= Grid point 252 (79/125) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 2.304 -0.567 16.296) 16.468 1.552 ( 14.876 -5.980 5.715) 17.021 1.837 ( 5.556 -0.541 -7.448) 9.308 1.949 ( 0.727 -1.016 -8.236) 8.330 2.550 ( -1.520 -0.370 4.412) 4.681 2.724 ( -2.879 -5.943 0.552) 6.627 2.886 ( -1.462 -1.145 0.657) 1.970 3.016 ( -0.747 -2.447 -8.041) 8.439 3.240 ( -8.647 4.847 9.255) 13.562 3.449 ( -2.359 -2.148 5.285) 6.174 3.494 ( -8.069 -0.591 1.192) 8.178 3.704 ( -4.358 -0.129 1.217) 4.526 3.848 ( -1.296 8.824 1.962) 9.132 4.139 ( 2.539 9.613 -2.763) 10.319 4.308 ( 3.845 1.134 2.841) 4.913 4.628 ( 2.210 3.718 -4.945) 6.569 4.785 ( -0.651 -4.952 -0.813) 5.060 4.923 ( 0.183 1.558 1.304) 2.040 5.009 ( 0.715 1.426 -1.903) 2.483 5.091 ( 1.258 0.524 -3.024) 3.317 5.744 ( -1.257 -1.725 12.516) 12.697 6.201 ( -1.498 7.976 -9.338) 12.371 6.582 ( 2.625 -1.632 8.148) 8.715 7.024 ( 2.227 -5.806 -10.890) 12.540 7.765 ( -1.091 0.123 6.601) 6.691 8.070 ( -1.827 -2.783 -6.523) 7.323 10.775 ( 0.745 0.188 37.554) 37.562 11.331 ( 1.622 -1.252 9.677) 9.891 12.252 ( 5.393 -7.055 -6.154) 10.804 12.529 ( 1.454 -1.348 -19.009) 19.112 13.222 ( -3.845 15.131 30.711) 34.452 13.924 ( -1.884 1.608 2.433) 3.472 14.159 ( 2.510 0.152 -4.851) 5.464 14.344 ( -5.066 1.554 -11.542) 12.700 17.207 ( -0.020 -3.241 -0.956) 3.379 17.276 ( -1.103 -2.663 -3.943) 4.884 ======================= Grid point 253 (80/125) ======================= q-point: ( 0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.791 -0.404 15.035) 15.061 1.762 ( 9.009 -3.728 1.627) 9.885 1.872 ( -0.188 0.326 -6.338) 6.349 1.965 ( 0.778 -0.081 -4.701) 4.766 2.532 ( -1.547 0.495 5.874) 6.094 2.706 ( -2.386 1.578 1.030) 3.040 2.890 ( -0.196 -0.212 -0.826) 0.875 3.024 ( -3.404 -2.312 0.362) 4.131 3.173 ( -0.003 -0.424 2.697) 2.731 3.339 ( -3.443 3.046 -6.172) 7.696 3.524 ( -2.437 -1.731 8.591) 9.096 3.733 ( -1.185 1.631 0.147) 2.022 3.780 ( 1.367 -7.043 1.064) 7.253 3.988 ( 0.833 10.423 -3.976) 11.186 4.352 ( 1.742 -1.313 3.556) 4.171 4.601 ( 0.592 1.234 -2.284) 2.663 4.856 ( -1.766 -4.665 -0.723) 5.041 4.882 ( 1.217 2.934 0.624) 3.237 4.956 ( 0.146 3.774 0.505) 3.811 5.119 ( 0.740 -1.017 -4.595) 4.764 5.764 ( -0.613 -1.629 9.082) 9.248 6.081 ( -0.780 4.432 -7.619) 8.849 6.622 ( 0.989 -0.765 9.689) 9.770 7.104 ( 0.859 -2.068 -10.950) 11.177 7.758 ( -0.317 -0.084 6.489) 6.497 8.086 ( -0.764 -1.015 -6.892) 7.008 10.778 ( 0.283 0.084 37.327) 37.329 11.357 ( 0.603 -0.473 9.698) 9.728 12.395 ( 2.925 -4.138 -9.595) 10.851 12.555 ( 0.382 -0.535 -17.450) 17.463 13.008 ( -2.015 6.728 36.793) 37.457 13.889 ( -0.737 0.745 0.913) 1.390 14.189 ( 2.410 -0.309 -4.438) 5.059 14.278 ( -3.303 0.881 -12.856) 13.303 17.241 ( 0.201 -0.954 -1.153) 1.510 17.296 ( -0.711 -1.055 -3.765) 3.974 ======================= Grid point 259 (81/125) ======================= q-point: ( 0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 20.246 -0.000 12.721) 23.911 1.255 ( 2.325 -0.000 15.826) 15.995 1.759 ( 8.816 -0.000 -14.716) 17.155 1.783 ( -0.128 0.000 -4.997) 4.999 2.346 ( 0.081 -0.000 2.991) 2.992 2.674 ( 0.005 -0.000 1.472) 1.472 2.714 ( -3.785 0.000 -11.150) 11.775 2.891 ( 3.190 -0.000 -8.779) 9.341 3.242 ( -2.889 0.000 30.146) 30.284 3.651 ( -9.825 0.000 -0.435) 9.834 3.688 ( -8.938 0.000 3.259) 9.513 4.055 ( -13.906 0.000 6.964) 15.552 4.077 ( -9.717 0.000 -0.324) 9.722 4.462 ( 6.793 -0.000 7.100) 9.826 4.465 ( 1.357 -0.000 -1.097) 1.745 4.618 ( 1.282 -0.000 -9.622) 9.707 4.734 ( 4.832 -0.000 -3.335) 5.871 4.870 ( 3.272 -0.000 -5.114) 6.071 4.980 ( -0.956 0.000 3.229) 3.367 5.073 ( 0.627 -0.000 -2.047) 2.141 5.716 ( 3.012 -0.000 19.006) 19.243 6.461 ( -0.282 0.000 -13.731) 13.734 6.584 ( 1.967 -0.000 -3.538) 4.047 6.651 ( 3.816 -0.000 -5.402) 6.614 7.813 ( -4.232 0.000 4.765) 6.374 7.956 ( -0.437 0.000 -2.027) 2.073 10.773 ( 0.776 -0.000 38.229) 38.237 11.264 ( 3.087 -0.000 9.209) 9.712 11.984 ( 6.226 -0.000 -4.119) 7.465 12.468 ( 2.262 -0.000 -21.804) 21.921 13.878 ( 0.220 -0.000 5.268) 5.273 14.003 ( -5.295 0.000 2.201) 5.734 14.258 ( -5.235 0.000 -0.073) 5.236 14.379 ( -4.665 0.000 -2.650) 5.366 16.986 ( 0.177 -0.000 4.769) 4.772 17.194 ( 0.350 -0.000 -4.661) 4.674 ======================= Grid point 260 (82/125) ======================= q-point: ( 0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 5.975 3.714 14.909) 16.485 1.387 ( 18.378 -3.828 8.943) 20.794 1.831 ( 1.613 -3.677 -8.049) 8.995 1.860 ( 8.494 -0.943 -9.311) 12.639 2.397 ( -0.254 -5.843 2.208) 6.252 2.630 ( -1.249 1.835 1.001) 2.435 2.743 ( -1.893 -5.256 -7.819) 9.610 2.934 ( 0.963 -2.071 -7.642) 7.976 3.218 ( -5.899 -2.456 24.110) 24.943 3.499 ( -12.383 4.343 0.733) 13.143 3.570 ( -10.648 1.234 1.629) 10.842 3.851 ( -10.942 6.231 6.135) 14.007 3.997 ( -7.381 -0.425 0.026) 7.393 4.405 ( 1.341 7.132 -1.376) 7.386 4.478 ( 3.501 4.438 2.713) 6.270 4.654 ( 1.591 -1.269 -3.864) 4.368 4.780 ( 4.642 2.129 -4.013) 6.495 4.914 ( 1.113 -0.263 -2.109) 2.399 4.953 ( 1.732 -1.342 1.708) 2.778 5.110 ( -0.203 -1.966 -2.233) 2.982 5.742 ( 2.522 0.969 17.498) 17.706 6.423 ( -0.014 4.639 -12.452) 13.288 6.569 ( 2.413 1.738 0.307) 2.990 6.781 ( 3.257 -7.987 -7.847) 11.660 7.763 ( -4.383 -0.004 6.175) 7.572 7.972 ( -0.605 -2.351 -3.619) 4.357 10.780 ( 0.659 0.079 37.366) 37.372 11.305 ( 3.849 -0.392 9.215) 9.994 12.085 ( 8.298 -2.881 -1.989) 9.006 12.500 ( 3.033 -0.451 -20.340) 20.570 13.739 ( -6.933 13.647 12.562) 19.801 13.944 ( -4.880 -0.934 4.541) 6.731 14.191 ( 0.413 2.278 -3.533) 4.223 14.351 ( -6.571 -1.859 -6.739) 9.594 17.033 ( -0.261 -5.137 3.242) 6.080 17.210 ( 0.542 -1.272 -4.440) 4.651 ======================= Grid point 261 (83/125) ======================= q-point: ( 0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 4.830 2.707 14.627) 15.640 1.630 ( 15.068 -3.876 4.379) 16.164 1.891 ( 2.699 -0.531 -9.055) 9.463 1.950 ( 5.396 -0.738 -4.722) 7.208 2.485 ( -2.037 -5.219 1.812) 5.888 2.621 ( -1.322 -2.726 3.091) 4.328 2.817 ( -1.529 -5.324 -4.342) 7.038 2.959 ( -3.140 -1.811 -6.634) 7.560 3.152 ( -12.567 -0.331 13.125) 18.174 3.348 ( -6.982 -1.342 1.467) 7.260 3.439 ( -8.385 1.940 1.917) 8.817 3.692 ( -3.640 2.755 4.131) 6.157 3.936 ( -2.152 2.325 1.142) 3.368 4.300 ( 0.734 6.897 -3.784) 7.901 4.416 ( 3.494 7.195 4.168) 9.020 4.666 ( -1.062 0.701 -0.321) 1.313 4.772 ( 3.545 2.079 -2.972) 5.072 4.929 ( 0.274 -0.462 -1.290) 1.397 5.019 ( 2.338 -2.193 -1.216) 3.429 5.113 ( -0.549 0.774 -2.354) 2.538 5.736 ( 0.755 1.426 15.191) 15.277 6.318 ( -0.472 7.869 -11.465) 13.914 6.587 ( 1.987 -0.707 5.297) 5.701 6.936 ( 1.896 -7.664 -9.588) 12.420 7.732 ( -3.392 -1.158 7.107) 7.960 8.012 ( -0.088 -3.004 -5.364) 6.148 10.783 ( 0.217 0.148 36.875) 36.876 11.349 ( 3.598 -0.079 9.244) 9.920 12.234 ( 8.656 -4.327 -0.639) 9.698 12.540 ( 3.093 -0.354 -18.364) 18.626 13.408 ( -8.793 15.492 21.352) 27.806 13.910 ( -3.237 0.101 3.138) 4.509 14.185 ( 1.293 0.417 -5.036) 5.216 14.301 ( -5.148 -0.109 -10.158) 11.389 17.118 ( -1.153 -5.880 1.104) 6.092 17.242 ( 0.783 -1.832 -4.034) 4.499 ======================= Grid point 262 (84/125) ======================= q-point: ( 0.44 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 4.006 2.223 13.678) 14.425 1.797 ( 6.114 -1.976 0.607) 6.454 1.896 ( 0.703 1.938 -6.683) 6.993 1.984 ( 1.870 1.074 -2.939) 3.645 2.505 ( -2.418 -1.098 4.447) 5.179 2.665 ( -2.856 -3.761 0.883) 4.804 2.860 ( -2.921 -1.150 3.247) 4.517 2.899 ( -6.842 -3.774 -0.910) 7.867 3.116 ( -2.749 -4.892 -0.182) 5.614 3.297 ( -7.502 -0.894 -5.025) 9.074 3.407 ( -3.545 -4.911 7.046) 9.291 3.699 ( 3.412 -2.726 -1.033) 4.488 3.874 ( 3.414 5.656 3.676) 7.561 4.188 ( 1.349 9.496 -5.756) 11.186 4.359 ( 1.390 2.446 6.027) 6.651 4.628 ( -0.844 1.977 -0.418) 2.190 4.787 ( -0.542 -1.128 0.666) 1.418 4.918 ( -0.196 1.525 -2.473) 2.912 5.029 ( 0.745 3.160 -0.877) 3.363 5.113 ( 0.985 -1.048 -3.297) 3.597 5.733 ( 0.219 -0.912 11.785) 11.822 6.179 ( -0.615 8.225 -9.638) 12.685 6.617 ( 0.657 -0.903 8.249) 8.325 7.050 ( 0.092 -5.159 -10.499) 11.698 7.727 ( -2.309 -1.829 7.585) 8.137 8.062 ( 1.089 -2.391 -6.635) 7.136 10.780 ( -0.357 0.152 36.869) 36.871 11.377 ( 2.642 0.703 9.303) 9.697 12.384 ( 6.965 -3.501 -2.566) 8.207 12.570 ( 2.517 0.358 -16.399) 16.595 13.108 ( -7.023 11.081 27.746) 30.691 13.878 ( -2.541 -0.071 0.928) 2.706 14.185 ( -2.075 -0.390 -4.985) 5.414 14.271 ( 0.340 0.157 -11.483) 11.489 17.185 ( -1.706 -4.224 0.121) 4.557 17.282 ( 1.363 -1.653 -4.056) 4.587 ======================= Grid point 263 (85/125) ======================= q-point: (-0.44 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 2.780 2.807 13.647) 14.207 1.738 ( -9.184 5.454 2.716) 11.021 1.890 ( 0.661 1.850 -6.871) 7.147 1.967 ( -0.679 1.114 -4.823) 4.996 2.518 ( 0.385 -2.489 6.724) 7.180 2.684 ( 0.089 -2.622 2.585) 3.683 2.853 ( -2.796 -3.950 -1.443) 5.050 2.986 ( -0.044 -7.504 3.004) 8.084 3.147 ( -3.216 -1.203 -1.800) 3.877 3.288 ( -0.027 -4.180 -4.272) 5.977 3.465 ( -3.185 -6.654 5.642) 9.287 3.771 ( 5.153 1.324 -1.338) 5.486 3.879 ( 6.352 -0.895 1.519) 6.592 4.025 ( 2.546 12.803 -2.922) 13.376 4.339 ( -3.087 0.494 4.005) 5.081 4.592 ( -1.084 1.456 -1.917) 2.640 4.800 ( -2.643 -3.504 2.864) 5.241 4.901 ( -0.170 -0.052 -2.183) 2.191 4.976 ( 1.465 4.225 -0.074) 4.473 5.130 ( 0.361 0.447 -4.485) 4.522 5.769 ( 0.926 -2.069 8.849) 9.135 6.076 ( 0.318 3.305 -7.526) 8.226 6.621 ( -0.955 0.371 9.472) 9.528 7.096 ( -1.473 -1.478 -11.152) 11.346 7.737 ( -1.359 -1.746 7.990) 8.291 8.105 ( 2.109 -0.828 -7.587) 7.918 10.772 ( -0.796 0.035 37.164) 37.173 11.380 ( 1.377 1.650 9.439) 9.680 12.445 ( 1.675 2.860 -10.176) 10.702 12.582 ( 2.246 1.506 -15.675) 15.906 12.949 ( -3.387 0.383 36.481) 36.640 13.869 ( -1.199 -1.480 -0.403) 1.946 14.158 ( -3.244 -0.165 -4.836) 5.825 14.300 ( 3.256 -0.934 -11.398) 11.891 17.217 ( -1.593 -2.089 0.023) 2.627 17.318 ( 1.891 -0.587 -4.705) 5.104 ======================= Grid point 264 (86/125) ======================= q-point: (-0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 1.772 3.813 15.067) 15.643 1.513 ( -12.703 7.342 6.699) 16.129 1.815 ( -4.425 3.476 -6.548) 8.634 1.956 ( 0.070 0.364 -8.412) 8.421 2.551 ( 0.066 -0.921 6.080) 6.149 2.785 ( 4.684 -4.490 1.911) 6.764 2.897 ( 0.945 -1.673 -1.751) 2.600 3.043 ( -2.176 1.882 -5.860) 6.528 3.168 ( -0.469 -8.577 6.787) 10.947 3.412 ( 3.752 -7.871 -3.364) 9.346 3.543 ( -1.137 -4.605 9.049) 10.217 3.806 ( 5.156 2.378 -1.496) 5.872 3.837 ( 5.586 8.624 2.270) 10.523 4.008 ( 2.812 -5.086 -1.443) 5.988 4.268 ( -6.201 1.538 1.913) 6.669 4.561 ( -2.967 -0.364 -5.062) 5.878 4.836 ( -0.872 -1.956 2.560) 3.338 4.911 ( 1.642 1.332 0.064) 2.116 4.956 ( -0.198 -2.956 -0.947) 3.110 5.101 ( -0.896 2.726 -5.314) 6.039 5.790 ( 1.529 1.167 9.608) 9.799 6.106 ( 1.418 -5.356 -7.136) 9.034 6.586 ( -2.092 1.925 9.446) 9.865 7.068 ( -2.136 2.533 -11.663) 12.125 7.753 ( -0.453 -1.489 8.182) 8.329 8.126 ( 2.294 1.196 -8.119) 8.521 10.763 ( -0.923 -0.122 37.613) 37.624 11.355 ( 0.199 2.442 9.660) 9.966 12.340 ( -2.095 8.562 -10.000) 13.330 12.556 ( 0.316 2.965 -18.035) 18.280 13.032 ( 0.487 -11.117 36.768) 38.414 13.899 ( 0.183 -2.764 0.237) 2.780 14.131 ( -2.172 -0.174 -4.003) 4.557 14.358 ( 3.261 -2.012 -11.721) 12.332 17.221 ( -0.995 -0.121 -0.004) 1.002 17.332 ( 1.840 1.486 -5.470) 5.960 ======================= Grid point 265 (87/125) ======================= q-point: (-0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -0.906 6.374 14.974) 16.299 1.287 ( -7.930 5.088 13.386) 16.369 1.724 ( -3.651 2.268 -10.191) 11.060 1.945 ( 0.054 1.259 -9.834) 9.915 2.566 ( 0.233 -1.214 5.902) 6.030 2.779 ( 1.947 10.262 1.317) 10.528 2.921 ( 1.725 0.890 -2.613) 3.255 2.984 ( -2.488 1.376 -8.510) 8.973 3.367 ( 2.874 -12.989 7.499) 15.271 3.469 ( 0.367 7.831 17.542) 19.214 3.618 ( 2.880 -8.495 -3.687) 9.698 3.833 ( 4.255 -6.086 1.441) 7.564 3.936 ( 7.602 -5.500 1.932) 9.579 4.097 ( -2.612 -4.847 1.406) 5.683 4.206 ( -4.566 -2.739 -1.457) 5.520 4.547 ( -3.641 -2.376 -9.037) 10.028 4.830 ( 2.888 4.002 -0.472) 4.958 4.897 ( -2.201 -0.756 3.688) 4.361 5.014 ( 0.980 2.087 -4.910) 5.424 5.059 ( -1.598 -3.431 -2.172) 4.364 5.772 ( 0.985 2.534 13.059) 13.339 6.235 ( 1.341 -7.968 -9.143) 12.202 6.526 ( -2.026 2.455 8.137) 8.737 6.978 ( -1.557 6.116 -11.598) 13.204 7.776 ( 0.200 -1.603 7.678) 7.846 8.112 ( 1.452 3.085 -7.639) 8.366 10.758 ( -0.629 -0.228 38.183) 38.189 11.311 ( -0.420 2.723 9.831) 10.209 12.173 ( -2.034 8.947 -8.469) 12.486 12.509 ( -0.468 2.605 -20.070) 20.244 13.270 ( 1.029 -17.077 31.527) 35.869 13.951 ( 0.679 -2.930 2.203) 3.728 14.122 ( -0.911 -0.754 -3.224) 3.435 14.426 ( 2.227 -2.673 -11.353) 11.874 17.199 ( -0.325 2.048 -0.335) 2.101 17.305 ( 1.013 3.803 -5.553) 6.806 ======================= Grid point 266 (88/125) ======================= q-point: (-0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -0.000 7.749 15.397) 17.237 1.217 ( -0.000 0.810 18.214) 18.232 1.676 ( -0.000 1.265 -14.232) 14.288 1.910 ( -0.000 3.439 -9.830) 10.414 2.587 ( -0.000 13.095 2.786) 13.388 2.598 ( 0.000 -2.403 4.559) 5.154 2.881 ( -0.000 4.775 -7.279) 8.705 2.929 ( -0.000 3.749 -8.890) 9.649 3.347 ( -0.000 5.868 26.166) 26.816 3.588 ( 0.000 -11.005 5.553) 12.326 3.743 ( 0.000 -4.259 -1.151) 4.412 4.017 ( 0.000 -10.960 3.813) 11.604 4.079 ( 0.000 -6.592 4.658) 8.071 4.163 ( 0.000 -6.652 -1.245) 6.767 4.272 ( 0.000 -8.105 -1.176) 8.190 4.571 ( 0.000 -3.364 -11.266) 11.757 4.767 ( -0.000 5.505 -3.937) 6.768 4.900 ( 0.000 -1.062 6.740) 6.823 4.947 ( -0.000 4.794 -5.634) 7.398 5.116 ( 0.000 -2.251 -1.683) 2.811 5.733 ( -0.000 2.813 16.641) 16.877 6.361 ( 0.000 -6.522 -12.393) 14.005 6.485 ( -0.000 0.782 5.384) 5.441 6.852 ( -0.000 8.474 -10.402) 13.417 7.807 ( 0.000 -1.951 6.355) 6.648 8.061 ( -0.000 4.120 -5.663) 7.003 10.758 ( 0.000 -0.248 38.744) 38.745 11.267 ( -0.000 2.219 9.705) 9.955 12.033 ( -0.000 6.912 -7.547) 10.234 12.471 ( -0.000 1.739 -21.660) 21.730 13.566 ( 0.000 -18.255 21.912) 28.519 13.997 ( 0.000 -2.202 3.396) 4.048 14.144 ( 0.000 -2.908 -1.280) 3.177 14.477 ( 0.000 -1.741 -9.411) 9.571 17.140 ( -0.000 5.550 -0.186) 5.553 17.245 ( -0.000 3.581 -4.566) 5.803 ======================= Grid point 269 (89/125) ======================= q-point: ( 0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 5.380 -0.000 12.901) 13.978 1.561 ( 18.476 -0.000 5.842) 19.377 1.789 ( 1.301 -0.000 -3.046) 3.312 1.971 ( 10.358 -0.000 -9.266) 13.898 2.361 ( 1.489 -0.000 1.354) 2.013 2.648 ( -2.421 0.000 -10.693) 10.964 2.656 ( -1.885 0.000 3.714) 4.165 2.918 ( -1.259 0.000 -8.715) 8.805 3.118 ( -9.742 0.000 19.454) 21.757 3.398 ( -12.823 0.000 -4.111) 13.465 3.469 ( -10.551 0.000 7.997) 13.239 3.798 ( -9.500 0.000 12.235) 15.491 3.907 ( -6.092 0.000 -3.523) 7.037 4.403 ( -6.086 0.000 -8.550) 10.495 4.594 ( 5.809 -0.000 7.289) 9.321 4.681 ( 4.020 -0.000 -0.398) 4.040 4.846 ( 5.126 -0.000 -2.278) 5.609 4.902 ( -0.639 0.000 -1.602) 1.725 4.975 ( 0.902 -0.000 0.631) 1.101 5.087 ( 0.654 -0.000 -3.633) 3.691 5.787 ( 3.243 -0.000 17.035) 17.341 6.465 ( 0.450 -0.000 -12.358) 12.366 6.614 ( 0.747 -0.000 -1.756) 1.908 6.738 ( 3.915 -0.000 -6.135) 7.278 7.710 ( -5.036 0.000 7.697) 9.198 7.953 ( 0.222 -0.000 -4.064) 4.070 10.786 ( 0.280 -0.000 36.492) 36.493 11.348 ( 4.707 -0.000 8.849) 10.023 12.162 ( 10.516 -0.000 1.962) 10.698 12.534 ( 3.958 -0.000 -18.693) 19.108 13.757 ( -16.679 0.000 8.935) 18.922 13.874 ( -1.034 0.000 4.931) 5.038 14.224 ( 1.268 -0.000 -5.299) 5.449 14.258 ( -6.285 0.000 -5.504) 8.354 16.992 ( 0.375 -0.000 4.858) 4.872 17.207 ( 0.881 -0.000 -4.884) 4.963 ======================= Grid point 270 (90/125) ======================= q-point: ( 0.33 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 6.112 3.884 11.751) 13.803 1.724 ( 9.681 -1.822 1.091) 9.911 1.865 ( 3.835 -4.058 -1.332) 5.740 2.047 ( 7.466 2.483 -5.238) 9.451 2.404 ( 0.863 -3.019 0.474) 3.176 2.593 ( -2.340 1.138 1.656) 3.084 2.707 ( -1.592 -5.882 -6.381) 8.824 2.895 ( -5.000 -1.031 -6.617) 8.357 3.013 ( -11.758 -0.837 11.609) 16.544 3.261 ( -9.369 1.138 -3.457) 10.051 3.372 ( -7.664 -0.221 8.456) 11.415 3.694 ( -3.913 2.044 9.578) 10.547 3.891 ( -2.759 -3.065 -1.742) 4.477 4.325 ( -6.885 1.121 -8.496) 10.993 4.583 ( 5.182 7.041 6.854) 11.109 4.709 ( 3.104 2.313 2.527) 4.622 4.845 ( 1.331 2.853 -2.403) 3.961 4.930 ( 1.067 -0.702 -0.046) 1.279 4.995 ( 1.913 -2.436 -2.531) 4.000 5.104 ( -0.440 -0.740 -3.359) 3.467 5.792 ( 2.044 2.775 15.877) 16.247 6.426 ( 0.039 5.270 -12.493) 13.559 6.603 ( 0.900 0.854 2.252) 2.571 6.837 ( 1.907 -6.547 -7.794) 10.356 7.672 ( -3.922 -1.178 9.093) 9.972 7.975 ( 0.777 -2.103 -5.389) 5.837 10.785 ( -0.179 0.130 36.059) 36.060 11.395 ( 4.437 0.323 8.515) 9.607 12.291 ( 11.139 -1.652 5.382) 12.481 12.577 ( 4.183 0.103 -16.392) 16.918 13.492 ( -15.111 9.620 12.346) 21.755 13.866 ( -3.439 -0.887 2.893) 4.581 14.188 ( -3.245 0.713 -5.795) 6.680 14.256 ( 0.151 -1.187 -7.807) 7.898 17.029 ( -0.096 -3.877 3.965) 5.546 17.227 ( 1.056 -1.210 -4.887) 5.144 ======================= Grid point 271 (91/125) ======================= q-point: ( 0.44 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 5.704 4.001 10.805) 12.857 1.821 ( 3.065 -1.345 -1.780) 3.791 1.921 ( -0.102 0.311 -2.645) 2.666 2.048 ( 2.918 3.741 -1.358) 4.935 2.454 ( -1.003 -2.687 1.920) 3.452 2.561 ( -4.515 -2.250 4.352) 6.663 2.784 ( -2.015 -4.480 -2.542) 5.531 2.820 ( -6.189 1.354 -1.236) 6.455 2.976 ( -4.752 -6.897 -0.726) 8.407 3.197 ( -4.898 -2.195 -1.724) 5.637 3.322 ( -4.790 -1.701 6.927) 8.592 3.697 ( 3.451 -2.767 3.033) 5.363 3.926 ( 0.808 -1.925 0.343) 2.116 4.237 ( -5.738 1.267 -7.438) 9.479 4.502 ( 4.279 9.105 6.797) 12.141 4.674 ( 1.467 4.159 2.821) 5.235 4.807 ( -0.363 2.989 1.068) 3.195 4.940 ( 1.149 0.806 -3.270) 3.558 5.050 ( 0.251 -0.937 -2.891) 3.050 5.101 ( -0.256 -0.937 -2.996) 3.149 5.757 ( 1.097 2.871 14.099) 14.430 6.310 ( -0.410 8.421 -11.513) 14.270 6.610 ( 0.349 -0.491 5.825) 5.856 6.954 ( -0.095 -6.528 -9.441) 11.478 7.666 ( -2.497 -2.268 9.987) 10.541 8.030 ( 1.468 -3.188 -6.754) 7.612 10.778 ( -0.592 0.273 36.165) 36.171 11.425 ( 3.390 1.087 8.346) 9.074 12.432 ( 10.046 -1.672 6.417) 12.037 12.612 ( 3.631 0.722 -13.587) 14.082 13.187 ( -11.793 10.361 15.709) 22.209 13.837 ( -3.938 -0.707 -0.320) 4.014 14.151 ( -3.012 -0.078 -5.304) 6.100 14.280 ( 1.785 -0.577 -9.082) 9.274 17.096 ( -0.869 -4.740 2.638) 5.494 17.266 ( 1.242 -2.006 -4.901) 5.439 ======================= Grid point 272 (92/125) ======================= q-point: ( 0.56 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 4.744 4.054 10.487) 12.203 1.751 ( -7.230 6.896 4.319) 10.885 1.923 ( 1.267 -0.068 -8.774) 8.866 1.993 ( -1.438 4.164 -3.439) 5.588 2.472 ( -0.543 -2.664 6.838) 7.359 2.600 ( -3.164 -6.755 4.990) 8.975 2.746 ( -3.163 -1.957 0.523) 3.756 2.879 ( 0.520 -6.027 1.822) 6.318 3.055 ( -3.468 -6.147 -9.739) 12.027 3.221 ( 0.180 -4.142 1.743) 4.498 3.330 ( -3.629 -4.838 4.692) 7.654 3.814 ( 6.857 -3.265 -4.019) 8.593 3.956 ( 3.318 0.462 2.688) 4.295 4.169 ( -2.939 2.034 -6.045) 7.023 4.383 ( 1.025 9.449 7.528) 12.124 4.630 ( 1.162 3.332 0.518) 3.567 4.749 ( -2.705 1.063 3.511) 4.558 4.916 ( -0.197 2.540 -3.486) 4.318 5.034 ( -0.055 1.576 -1.665) 2.294 5.133 ( 0.765 -1.153 -3.802) 4.046 5.747 ( 0.875 -0.730 11.158) 11.216 6.172 ( -0.145 7.853 -9.436) 12.277 6.615 ( -0.550 -0.056 7.928) 7.947 7.034 ( -1.277 -4.297 -10.708) 11.608 7.686 ( -1.344 -2.594 10.468) 10.868 8.097 ( 1.764 -2.780 -7.958) 8.613 10.766 ( -0.749 0.283 36.615) 36.624 11.429 ( 2.005 2.019 8.488) 8.952 12.522 ( 5.600 2.125 -3.719) 7.050 12.637 ( 4.338 0.796 -7.455) 8.662 12.942 ( -8.538 6.017 22.793) 25.072 13.821 ( -2.613 -1.902 -2.680) 4.199 14.126 ( -2.073 -0.126 -3.832) 4.358 14.312 ( 2.044 -0.974 -10.076) 10.328 17.154 ( -1.052 -3.783 1.847) 4.339 17.313 ( 1.292 -2.068 -5.342) 5.872 ======================= Grid point 273 (93/125) ======================= q-point: (-0.33 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 4.110 4.437 11.550) 13.037 1.531 ( -8.388 9.273 7.618) 14.642 1.857 ( -2.184 6.048 -5.933) 8.749 1.960 ( 0.070 -0.133 -8.753) 8.754 2.525 ( 0.014 -2.527 7.173) 7.605 2.707 ( 1.638 -8.585 5.091) 10.114 2.809 ( -1.369 -7.964 -0.601) 8.104 2.994 ( 0.750 -7.471 2.220) 7.830 3.067 ( -3.223 -0.026 -5.910) 6.732 3.327 ( 2.696 -6.553 -3.375) 7.848 3.400 ( -2.886 -8.265 6.801) 11.086 3.887 ( 3.962 1.464 -7.323) 8.454 3.996 ( 3.958 0.627 2.264) 4.603 4.096 ( 4.615 7.831 0.768) 9.122 4.230 ( -6.709 5.063 5.117) 9.840 4.570 ( -0.790 3.999 -3.734) 5.528 4.761 ( -0.957 -4.577 4.613) 6.568 4.892 ( -0.398 -0.932 -1.631) 1.920 4.998 ( 0.520 3.591 -1.111) 3.795 5.135 ( 0.127 1.551 -4.846) 5.090 5.790 ( 0.766 -2.542 8.856) 9.245 6.086 ( 0.401 2.185 -7.097) 7.437 6.597 ( -0.868 1.352 9.060) 9.201 7.062 ( -1.211 -0.955 -11.667) 11.769 7.717 ( -0.510 -2.328 10.343) 10.613 8.146 ( 1.270 -1.149 -8.841) 9.006 10.755 ( -0.544 0.138 37.194) 37.198 11.404 ( 0.709 2.838 8.984) 9.449 12.466 ( 0.469 7.950 -11.280) 13.808 12.631 ( 1.808 5.103 -15.434) 16.356 12.885 ( -2.174 -6.425 37.925) 38.527 13.846 ( -0.795 -3.296 -2.723) 4.349 14.112 ( -1.053 -0.109 -2.718) 2.917 14.352 ( 1.412 -1.732 -11.033) 11.257 17.193 ( -0.606 -2.172 1.329) 2.618 17.350 ( 0.909 -0.955 -6.061) 6.203 ======================= Grid point 274 (94/125) ======================= q-point: (-0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -0.000 3.549 13.708) 14.160 1.311 ( -0.000 10.477 10.643) 14.934 1.758 ( -0.000 4.386 -7.674) 8.839 1.958 ( -0.000 0.446 -9.161) 9.172 2.548 ( 0.000 -1.063 6.779) 6.862 2.847 ( 0.000 -5.035 3.998) 6.430 2.928 ( 0.000 -5.731 -6.572) 8.720 2.986 ( -0.000 6.053 -3.935) 7.219 3.160 ( 0.000 -12.591 6.248) 14.056 3.470 ( 0.000 -9.526 -6.041) 11.281 3.510 ( 0.000 -5.422 12.686) 13.796 3.839 ( -0.000 5.956 -4.058) 7.207 3.995 ( -0.000 1.556 3.028) 3.404 4.027 ( -0.000 2.216 6.221) 6.604 4.158 ( 0.000 -0.764 -2.511) 2.625 4.518 ( -0.000 1.170 -7.297) 7.390 4.831 ( 0.000 -3.979 4.730) 6.181 4.932 ( -0.000 4.821 -1.631) 5.090 4.949 ( 0.000 -5.894 -0.637) 5.928 5.090 ( -0.000 3.869 -5.888) 7.045 5.809 ( -0.000 0.917 9.873) 9.915 6.124 ( 0.000 -5.936 -6.870) 9.080 6.559 ( -0.000 2.630 9.312) 9.676 7.041 ( -0.000 2.738 -12.094) 12.400 7.748 ( 0.000 -1.958 9.362) 9.565 8.154 ( -0.000 1.094 -8.925) 8.992 10.752 ( 0.000 -0.076 37.770) 37.770 11.358 ( -0.000 3.189 9.590) 10.106 12.317 ( -0.000 10.056 -10.167) 14.300 12.561 ( -0.000 4.109 -18.208) 18.666 13.036 ( 0.000 -12.702 36.631) 38.771 13.900 ( 0.000 -3.703 -0.690) 3.767 14.109 ( 0.000 -0.260 -2.592) 2.605 14.394 ( 0.000 -2.515 -11.674) 11.941 17.210 ( 0.000 -0.299 0.624) 0.692 17.353 ( -0.000 1.375 -6.417) 6.563 ======================= Grid point 279 (95/125) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 6.563 -0.000 9.512) 11.556 1.750 ( 1.858 -0.000 -2.431) 3.059 1.893 ( 4.900 -0.000 5.847) 7.628 2.143 ( 5.390 -0.000 -5.191) 7.483 2.405 ( 2.593 -0.000 -0.929) 2.755 2.609 ( -1.918 0.000 5.120) 5.468 2.615 ( -0.744 0.000 -9.321) 9.351 2.820 ( -7.424 0.000 -8.040) 10.943 2.897 ( -8.512 0.000 8.844) 12.275 3.189 ( -6.619 0.000 -7.980) 10.368 3.283 ( -7.509 0.000 14.703) 16.510 3.668 ( -3.620 0.000 15.016) 15.446 3.842 ( 0.114 -0.000 -7.037) 7.038 4.246 ( -8.583 0.000 -9.314) 12.666 4.699 ( 4.284 -0.000 7.479) 8.619 4.762 ( 3.437 -0.000 2.094) 4.025 4.872 ( -1.747 0.000 2.673) 3.193 4.933 ( 3.265 -0.000 -2.490) 4.106 4.995 ( 0.674 -0.000 -2.877) 2.954 5.097 ( 0.321 -0.000 -4.668) 4.679 5.837 ( 1.495 -0.000 15.554) 15.626 6.468 ( -0.248 0.000 -12.591) 12.594 6.620 ( 0.052 -0.000 1.193) 1.194 6.799 ( 1.830 -0.000 -6.776) 7.019 7.625 ( -2.931 0.000 10.808) 11.198 7.966 ( 0.929 -0.000 -6.029) 6.100 10.783 ( -0.420 0.000 35.619) 35.621 11.443 ( 4.024 -0.000 7.720) 8.706 12.402 ( 12.218 -0.000 11.274) 16.625 12.624 ( 4.423 -0.000 -13.808) 14.499 13.392 ( -17.347 0.000 7.429) 18.871 13.821 ( -4.038 0.000 0.857) 4.128 14.153 ( -3.264 0.000 -5.700) 6.568 14.264 ( 2.091 -0.000 -7.243) 7.539 17.001 ( 0.426 -0.000 5.000) 5.018 17.228 ( 1.002 -0.000 -5.315) 5.409 ======================= Grid point 280 (96/125) ======================= q-point: ( 0.44 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 5.478 4.389 8.282) 10.856 1.805 ( 1.519 -3.654 -3.107) 5.031 1.909 ( -2.279 0.142 5.828) 6.260 2.143 ( 1.743 4.285 -3.000) 5.513 2.427 ( 1.177 -0.137 -1.335) 1.784 2.533 ( -3.124 3.545 4.517) 6.537 2.692 ( 0.475 -6.070 -5.860) 8.450 2.778 ( -3.993 -1.908 -7.736) 8.913 2.836 ( -5.003 -1.886 4.249) 6.829 3.136 ( -2.748 -0.747 -2.668) 3.902 3.236 ( -5.584 -2.196 11.720) 13.167 3.668 ( 0.359 -3.519 10.954) 11.511 3.887 ( 2.526 -3.032 -6.582) 7.674 4.160 ( -8.431 -0.618 -8.830) 12.225 4.678 ( 3.935 6.847 6.628) 10.310 4.762 ( 1.738 3.734 4.324) 5.972 4.842 ( -1.192 1.812 2.690) 3.455 4.962 ( 1.720 -0.270 -2.534) 3.075 5.028 ( 1.328 -2.419 -4.109) 4.950 5.089 ( -1.088 0.887 -4.323) 4.545 5.822 ( 0.811 3.080 14.808) 15.146 6.420 ( -0.523 5.401 -12.502) 13.628 6.613 ( 0.212 0.502 3.510) 3.552 6.858 ( 0.308 -5.048 -7.844) 9.333 7.613 ( -1.668 -1.504 11.795) 12.007 7.996 ( 1.013 -2.466 -6.891) 7.388 10.776 ( -0.522 0.248 35.659) 35.663 11.474 ( 2.830 0.734 7.218) 7.788 12.532 ( 11.602 -0.266 16.176) 19.908 12.662 ( 3.565 0.652 -10.709) 11.306 13.175 ( -14.430 5.342 4.785) 16.114 13.782 ( -4.159 -0.637 -2.596) 4.944 14.127 ( -1.650 0.140 -4.350) 4.654 14.288 ( 1.573 -0.507 -8.175) 8.340 17.029 ( 0.050 -2.885 4.504) 5.349 17.249 ( 0.849 -1.347 -5.437) 5.665 ======================= Grid point 281 (97/125) ======================= q-point: ( 0.56 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 3.527 4.412 7.723) 9.568 1.799 ( -3.405 5.690 6.091) 9.004 1.902 ( -0.045 -3.221 -7.024) 7.728 2.065 ( -0.649 5.744 -2.842) 6.442 2.443 ( -0.138 -0.153 4.809) 4.813 2.474 ( -2.578 -2.987 4.965) 6.342 2.734 ( -1.136 2.395 -1.044) 2.849 2.795 ( 0.846 -5.529 1.298) 5.742 2.898 ( -2.679 -8.918 -12.065) 15.240 3.169 ( 1.465 -3.487 4.615) 5.967 3.229 ( -3.937 -3.357 6.005) 7.926 3.790 ( 3.947 -8.021 5.955) 10.741 3.953 ( 1.527 -1.134 -7.806) 8.034 4.108 ( -5.309 -2.597 -5.852) 8.317 4.574 ( 2.178 10.362 6.681) 12.520 4.711 ( 1.818 4.026 4.887) 6.587 4.772 ( -2.186 4.515 2.267) 5.505 4.976 ( 1.925 3.161 -4.244) 5.631 5.029 ( -1.678 -0.140 -2.931) 3.380 5.104 ( 0.227 -3.007 -3.785) 4.839 5.775 ( 0.477 2.939 13.367) 13.695 6.302 ( -0.265 8.274 -11.314) 14.019 6.611 ( -0.100 0.016 5.829) 5.830 6.944 ( -0.467 -5.518 -9.394) 10.905 7.634 ( -0.692 -2.506 12.170) 12.444 8.057 ( 0.799 -3.676 -7.803) 8.663 10.766 ( -0.391 0.423 36.049) 36.054 11.477 ( 1.345 1.625 7.281) 7.581 12.624 ( 6.220 2.419 1.509) 6.842 12.689 ( 4.843 -0.393 10.924) 11.956 12.948 ( -10.164 6.772 0.642) 12.230 13.765 ( -2.251 -1.664 -4.820) 5.574 14.112 ( -0.772 0.169 -2.954) 3.058 14.312 ( 0.934 -0.871 -9.127) 9.215 17.084 ( -0.275 -3.947 3.545) 5.312 17.286 ( 0.570 -2.290 -5.602) 6.079 ======================= Grid point 282 (98/125) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -0.000 3.966 8.470) 9.353 1.644 ( -0.000 9.832 7.613) 12.435 1.946 ( 0.000 -1.729 -9.464) 9.621 1.955 ( -0.000 7.111 -5.030) 8.710 2.470 ( 0.000 -3.749 8.672) 9.448 2.563 ( 0.000 -8.724 5.706) 10.424 2.718 ( 0.000 -1.789 0.925) 2.014 2.890 ( 0.000 -6.096 2.399) 6.552 3.010 ( 0.000 -5.814 -13.571) 14.764 3.257 ( 0.000 -5.832 17.099) 18.067 3.265 ( 0.000 -4.607 -8.873) 9.998 3.939 ( -0.000 1.790 -10.751) 10.899 3.957 ( 0.000 -7.438 4.576) 8.733 4.125 ( 0.000 -1.588 -2.650) 3.089 4.394 ( -0.000 13.403 7.685) 15.450 4.658 ( -0.000 6.540 -1.422) 6.693 4.704 ( 0.000 -1.042 5.998) 6.088 4.912 ( -0.000 3.648 -3.608) 5.131 5.033 ( -0.000 0.421 -1.510) 1.567 5.141 ( 0.000 -1.079 -4.165) 4.302 5.758 ( 0.000 -0.851 10.888) 10.921 6.171 ( -0.000 7.482 -9.249) 11.897 6.607 ( -0.000 0.410 7.711) 7.722 7.017 ( 0.000 -3.835 -10.788) 11.449 7.673 ( 0.000 -2.716 11.765) 12.075 8.118 ( 0.000 -3.079 -8.579) 9.114 10.757 ( -0.000 0.380 36.611) 36.613 11.451 ( -0.000 2.435 7.977) 8.340 12.582 ( -0.000 5.621 -11.467) 12.771 12.757 ( -0.000 8.064 -14.887) 16.931 12.778 ( 0.000 -4.227 39.284) 39.511 13.790 ( 0.000 -2.843 -4.746) 5.532 14.106 ( -0.000 0.058 -2.250) 2.251 14.335 ( 0.000 -1.297 -10.068) 10.151 17.143 ( 0.000 -3.566 2.507) 4.360 17.327 ( 0.000 -2.289 -5.911) 6.339 ======================= Grid point 289 (99/125) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 3.406 -0.000 7.135) 7.906 1.774 ( 0.998 -0.000 -1.871) 2.120 1.882 ( -3.093 0.000 8.946) 9.466 2.191 ( 0.137 -0.000 -4.906) 4.908 2.455 ( 1.693 -0.000 -3.580) 3.960 2.581 ( -1.013 0.000 7.785) 7.851 2.617 ( 0.863 -0.000 -4.599) 4.679 2.685 ( -4.306 0.000 -10.787) 11.615 2.821 ( -0.088 0.000 1.156) 1.159 3.104 ( -1.979 0.000 -8.783) 9.003 3.165 ( -3.311 0.000 20.678) 20.942 3.623 ( -1.019 0.000 13.155) 13.195 3.908 ( 5.842 -0.000 -9.016) 10.743 4.064 ( -8.569 0.000 -9.926) 13.113 4.775 ( 3.153 -0.000 7.181) 7.843 4.813 ( 1.352 -0.000 2.667) 2.990 4.832 ( -2.227 0.000 5.462) 5.898 4.980 ( 1.223 -0.000 -1.779) 2.159 5.002 ( 0.105 -0.000 -4.439) 4.440 5.099 ( -0.045 0.000 -5.670) 5.670 5.853 ( 0.279 -0.000 14.845) 14.848 6.459 ( -0.421 0.000 -12.748) 12.755 6.621 ( 0.060 -0.000 2.622) 2.623 6.819 ( 0.328 -0.000 -6.990) 6.998 7.588 ( -0.754 0.000 12.643) 12.666 7.983 ( 0.519 -0.000 -7.081) 7.100 10.774 ( -0.314 0.000 35.493) 35.494 11.503 ( 1.530 -0.000 6.486) 6.664 12.648 ( 10.103 -0.000 28.226) 29.980 12.699 ( 2.203 -0.000 -9.277) 9.535 13.073 ( -11.901 0.000 -5.895) 13.281 13.739 ( -2.692 0.000 -4.920) 5.609 14.118 ( -0.599 0.000 -3.562) 3.613 14.297 ( 0.863 -0.000 -8.158) 8.204 17.008 ( 0.192 -0.000 5.111) 5.115 17.244 ( 0.439 -0.000 -5.641) 5.658 ======================= Grid point 290 (100/125) ======================= q-point: (-0.44 -0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -0.000 4.367 6.706) 8.003 1.831 ( 0.000 -4.809 -3.656) 6.041 1.848 ( -0.000 2.230 8.808) 9.086 2.149 ( -0.000 4.714 -3.772) 6.038 2.442 ( -0.000 1.186 -2.225) 2.521 2.494 ( -0.000 5.200 6.055) 7.982 2.709 ( 0.000 -5.794 1.864) 6.087 2.737 ( 0.000 -8.169 -14.818) 16.920 2.788 ( -0.000 3.525 -0.154) 3.528 3.127 ( 0.000 -3.659 -8.355) 9.121 3.158 ( 0.000 -1.392 21.588) 21.632 3.675 ( 0.000 -6.775 11.249) 13.132 3.979 ( -0.000 0.655 -13.990) 14.006 4.006 ( 0.000 -3.798 -4.574) 5.946 4.731 ( -0.000 7.388 5.565) 9.249 4.776 ( -0.000 2.971 7.123) 7.718 4.821 ( -0.000 2.240 2.667) 3.483 4.984 ( 0.000 -1.404 -2.504) 2.870 5.049 ( 0.000 -3.663 -3.699) 5.205 5.067 ( -0.000 3.831 -5.750) 6.909 5.829 ( -0.000 2.949 14.444) 14.742 6.412 ( -0.000 5.310 -12.388) 13.478 6.615 ( -0.000 0.549 3.774) 3.813 6.860 ( 0.000 -4.434 -7.809) 8.980 7.597 ( 0.000 -1.553 12.790) 12.884 8.008 ( 0.000 -2.659 -7.417) 7.879 10.770 ( -0.000 0.300 35.646) 35.647 11.504 ( -0.000 0.856 6.496) 6.552 12.696 ( -0.000 1.826 -8.975) 9.159 12.714 ( 0.000 -0.557 38.969) 38.973 12.969 ( -0.000 3.958 -15.848) 16.334 13.731 ( 0.000 -0.859 -5.806) 5.870 14.113 ( -0.000 0.243 -3.008) 3.018 14.306 ( 0.000 -0.520 -8.522) 8.537 17.030 ( 0.000 -2.531 4.699) 5.337 17.258 ( 0.000 -1.427 -5.671) 5.848 ======================= Grid point 332 (101/125) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 0.000 -19.117) 19.117 1.271 ( 0.000 0.000 19.117) 19.117 1.564 ( 0.000 0.000 -14.118) 14.118 1.564 ( 0.000 0.000 14.118) 14.118 2.511 ( 0.000 0.000 -11.318) 11.318 2.511 ( 0.000 0.000 11.318) 11.318 2.720 ( 0.000 0.000 -4.043) 4.043 2.720 ( 0.000 0.000 4.043) 4.043 3.789 ( 0.000 0.000 -1.527) 1.527 3.789 ( 0.000 0.000 1.527) 1.527 3.930 ( 0.000 0.000 -28.455) 28.455 3.930 ( 0.000 0.000 28.455) 28.455 4.398 ( 0.000 0.000 -3.165) 3.165 4.398 ( 0.000 0.000 3.165) 3.165 4.411 ( 0.000 0.000 -2.929) 2.929 4.411 ( 0.000 0.000 2.929) 2.929 4.714 ( 0.000 0.000 -4.151) 4.151 4.714 ( 0.000 0.000 4.151) 4.151 5.036 ( 0.000 0.000 -1.641) 1.641 5.036 ( 0.000 0.000 1.641) 1.641 6.098 ( 0.000 0.000 -19.403) 19.403 6.098 ( 0.000 0.000 19.403) 19.403 6.538 ( 0.000 0.000 -1.265) 1.265 6.538 ( 0.000 0.000 1.265) 1.265 7.925 ( 0.000 0.000 -2.490) 2.490 7.925 ( 0.000 0.000 2.490) 2.490 11.316 ( 0.000 0.000 -7.327) 7.327 11.316 ( 0.000 0.000 7.327) 7.327 11.967 ( 0.000 0.000 -16.912) 16.912 11.967 ( 0.000 0.000 16.912) 16.912 13.976 ( 0.000 0.000 -4.321) 4.321 13.976 ( 0.000 0.000 4.321) 4.321 14.389 ( 0.000 0.000 -2.573) 2.573 14.389 ( 0.000 0.000 2.573) 2.573 17.089 ( 0.000 0.000 -5.108) 5.108 17.089 ( 0.000 0.000 5.108) 5.108 ======================= Grid point 334 (102/125) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 6.690 -2.215 -16.924) 18.332 1.327 ( 6.690 -2.215 16.924) 18.332 1.584 ( 1.316 -1.530 -15.005) 15.141 1.584 ( 1.316 -1.530 15.005) 15.141 2.554 ( -1.831 -6.171 -9.793) 11.719 2.554 ( -1.831 -6.171 9.793) 11.719 2.736 ( 1.718 -1.042 -5.911) 6.243 2.736 ( 1.718 -1.042 5.911) 6.243 3.731 ( -6.866 2.461 -1.144) 7.383 3.731 ( -6.866 2.461 1.144) 7.383 3.908 ( -2.350 2.107 -23.729) 23.938 3.908 ( -2.350 2.107 23.729) 23.938 4.247 ( -8.404 6.340 -6.921) 12.598 4.247 ( -8.404 6.340 6.921) 12.598 4.435 ( 8.620 6.388 -5.305) 11.969 4.435 ( 8.620 6.388 5.305) 11.969 4.764 ( 1.570 -3.587 -5.178) 6.492 4.764 ( 1.570 -3.587 5.178) 6.492 5.044 ( 0.038 -0.634 -4.881) 4.922 5.044 ( 0.038 -0.634 4.881) 4.922 6.093 ( 0.281 1.137 -18.165) 18.202 6.093 ( 0.281 1.137 18.165) 18.202 6.578 ( 1.867 -3.620 -5.424) 6.783 6.578 ( 1.867 -3.620 5.424) 6.783 7.922 ( -1.197 -0.492 -3.924) 4.132 7.922 ( -1.197 -0.492 3.924) 4.132 11.322 ( 0.540 -0.397 -8.599) 8.625 11.322 ( 0.540 -0.397 8.599) 8.625 12.001 ( 3.020 -2.241 -15.365) 15.818 12.001 ( 3.020 -2.241 15.365) 15.818 13.959 ( 0.098 2.389 -5.944) 6.407 13.959 ( 0.098 2.389 5.944) 6.407 14.331 ( -3.635 4.175 -6.791) 8.761 14.331 ( -3.635 4.175 6.791) 8.761 17.113 ( 0.034 -2.818 -4.236) 5.088 17.113 ( 0.034 -2.818 4.236) 5.088 ======================= Grid point 336 (103/125) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 7.483 -2.766 -11.917) 14.341 1.450 ( 7.483 -2.766 11.917) 14.341 1.641 ( 4.614 -2.056 -13.045) 13.989 1.641 ( 4.614 -2.056 13.045) 13.989 2.640 ( -3.392 -6.731 -6.252) 9.793 2.640 ( -3.392 -6.731 6.252) 9.793 2.797 ( 2.696 -3.942 -6.584) 8.134 2.797 ( 2.696 -3.942 6.584) 8.134 3.573 ( -10.690 5.917 -3.095) 12.604 3.573 ( -10.690 5.917 3.095) 12.604 3.807 ( -6.832 3.229 -12.235) 14.380 3.807 ( -6.832 3.229 12.235) 14.380 4.083 ( -2.387 6.844 -10.221) 12.531 4.083 ( -2.387 6.844 10.221) 12.531 4.423 ( 8.127 5.319 -7.878) 12.506 4.423 ( 8.127 5.319 7.878) 12.506 4.828 ( 0.088 -3.097 -5.846) 6.617 4.828 ( 0.088 -3.097 5.846) 6.617 5.047 ( 0.813 0.962 -4.779) 4.942 5.047 ( 0.813 0.962 4.779) 4.942 6.058 ( -0.836 2.923 -14.977) 15.283 6.058 ( -0.836 2.923 14.977) 15.283 6.679 ( 3.042 -5.276 -9.069) 10.924 6.679 ( 3.042 -5.276 9.069) 10.924 7.918 ( -1.688 -0.984 -6.118) 6.423 7.918 ( -1.688 -0.984 6.118) 6.423 11.337 ( 0.776 -0.536 -11.080) 11.120 11.337 ( 0.776 -0.536 11.080) 11.120 12.092 ( 4.857 -3.729 -11.492) 13.021 12.092 ( 4.857 -3.729 11.492) 13.021 13.891 ( -1.008 5.950 -11.614) 13.088 13.891 ( -1.008 5.950 11.614) 13.088 14.220 ( -4.245 3.327 -8.753) 10.281 14.220 ( -4.245 3.327 8.753) 10.281 17.167 ( -0.157 -3.620 -2.696) 4.516 17.167 ( -0.157 -3.620 2.696) 4.516 ======================= Grid point 338 (104/125) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 2.722 -1.779 -14.764) 15.118 1.540 ( 2.722 -1.779 14.764) 15.118 1.750 ( 8.484 -2.380 -7.501) 11.572 1.750 ( 8.484 -2.380 7.501) 11.572 2.674 ( -3.181 -1.975 -5.881) 6.972 2.674 ( -3.181 -1.975 5.881) 6.972 2.899 ( 1.108 -5.243 -2.744) 6.020 2.899 ( 1.108 -5.243 2.744) 6.020 3.358 ( -9.704 5.837 -5.234) 12.475 3.358 ( -9.704 5.837 5.234) 12.475 3.712 ( -6.032 -0.239 -3.185) 6.826 3.712 ( -6.032 -0.239 3.185) 6.826 3.965 ( 0.834 7.265 -11.652) 13.757 3.965 ( 0.834 7.265 11.652) 13.757 4.441 ( 5.769 1.792 -9.230) 11.031 4.441 ( 5.769 1.792 9.230) 11.031 4.862 ( -1.131 -1.941 -5.310) 5.765 4.862 ( -1.131 -1.941 5.310) 5.765 5.032 ( 1.440 2.134 -2.836) 3.831 5.032 ( 1.440 2.134 2.836) 3.831 5.990 ( -1.681 3.552 -10.986) 11.668 5.990 ( -1.681 3.552 10.986) 11.668 6.788 ( 2.630 -4.263 -11.190) 12.260 6.788 ( 2.630 -4.263 11.190) 12.260 7.919 ( -1.346 -1.070 -7.723) 7.912 7.919 ( -1.346 -1.070 7.723) 7.912 11.353 ( 0.637 -0.407 -13.214) 13.236 11.353 ( 0.637 -0.407 13.214) 13.236 12.205 ( 4.593 -3.674 -6.912) 9.076 12.205 ( 4.593 -3.674 6.912) 9.076 13.764 ( -2.326 6.788 -19.421) 20.704 13.764 ( -2.326 6.788 19.421) 20.704 14.154 ( -2.293 0.890 -5.584) 6.101 14.154 ( -2.293 0.890 5.584) 6.101 17.215 ( -0.291 -2.655 -1.748) 3.192 17.215 ( -0.291 -2.655 1.748) 3.192 ======================= Grid point 340 (105/125) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.553 -0.638 -17.716) 17.736 1.574 ( 0.553 -0.638 17.716) 17.736 1.854 ( 4.352 -1.203 -4.724) 6.534 1.854 ( 4.352 -1.203 4.724) 6.534 2.652 ( -1.901 0.406 -5.219) 5.569 2.652 ( -1.901 0.406 5.219) 5.569 2.959 ( 0.028 -1.573 -5.392) 5.617 2.959 ( 0.028 -1.573 5.392) 5.617 3.230 ( -3.551 1.333 -3.640) 5.257 3.230 ( -3.551 1.333 3.640) 5.257 3.686 ( -2.549 -1.510 -4.904) 5.730 3.686 ( -2.549 -1.510 4.904) 5.730 3.880 ( 1.021 4.008 -6.620) 7.806 3.880 ( 1.021 4.008 6.620) 7.806 4.472 ( 2.156 0.009 -7.868) 8.158 4.472 ( 2.156 0.009 7.868) 8.158 4.868 ( -0.848 -0.434 -1.670) 1.922 4.868 ( -0.848 -0.434 1.670) 1.922 5.018 ( 0.851 0.992 -4.582) 4.765 5.018 ( 0.851 0.992 4.582) 4.765 5.930 ( -0.892 1.661 -7.220) 7.462 5.930 ( -0.892 1.661 7.220) 7.462 6.856 ( 1.009 -1.590 -12.219) 12.363 6.856 ( 1.009 -1.590 12.219) 12.363 7.922 ( -0.498 -0.469 -8.487) 8.515 7.922 ( -0.498 -0.469 8.487) 8.515 11.362 ( 0.241 -0.145 -14.376) 14.379 11.362 ( 0.241 -0.145 14.376) 14.379 12.285 ( 1.935 -1.595 -3.462) 4.275 12.285 ( 1.935 -1.595 3.462) 4.275 13.662 ( -1.209 2.855 -24.184) 24.382 13.662 ( -1.209 2.855 24.184) 24.382 14.133 ( -0.665 0.127 -2.331) 2.428 14.133 ( -0.665 0.127 2.331) 2.428 17.242 ( -0.146 -0.939 -1.331) 1.635 17.242 ( -0.146 -0.939 1.331) 1.635 ======================= Grid point 352 (106/125) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 10.978 -0.000 -12.086) 16.328 1.409 ( 10.978 -0.000 12.086) 16.328 1.594 ( 3.614 -0.000 -9.901) 10.540 1.594 ( 3.614 -0.000 9.901) 10.540 2.484 ( -2.029 0.000 -9.765) 9.973 2.484 ( -2.029 0.000 9.765) 9.973 2.745 ( 1.728 -0.000 -5.331) 5.604 2.745 ( 1.728 -0.000 5.331) 5.604 3.644 ( -12.530 0.000 -2.159) 12.715 3.644 ( -12.530 0.000 2.159) 12.715 3.896 ( -4.628 0.000 -19.898) 20.429 3.896 ( -4.628 0.000 19.898) 20.429 4.209 ( -7.999 0.000 -9.563) 12.467 4.209 ( -7.999 0.000 9.563) 12.467 4.567 ( 6.662 -0.000 -2.313) 7.052 4.567 ( 6.662 -0.000 2.313) 7.052 4.769 ( 4.006 -0.000 -3.993) 5.656 4.769 ( 4.006 -0.000 3.993) 5.656 5.032 ( -0.379 0.000 -2.000) 2.035 5.032 ( -0.379 0.000 2.000) 2.035 6.113 ( 1.419 -0.000 -18.571) 18.625 6.113 ( 1.419 -0.000 18.571) 18.625 6.573 ( 2.912 -0.000 -1.842) 3.446 6.573 ( 2.912 -0.000 1.842) 3.446 7.900 ( -2.167 0.000 -3.470) 4.091 7.900 ( -2.167 0.000 3.470) 4.091 11.327 ( 0.980 -0.000 -9.257) 9.308 11.327 ( 0.980 -0.000 9.257) 9.308 12.032 ( 6.177 -0.000 -14.267) 15.547 12.032 ( 6.177 -0.000 14.267) 15.547 13.978 ( -0.146 0.000 -3.848) 3.851 13.978 ( -0.146 0.000 3.848) 3.851 14.308 ( -7.179 0.000 -3.858) 8.150 14.308 ( -7.179 0.000 3.858) 8.150 17.091 ( 0.255 -0.000 -5.150) 5.156 17.091 ( 0.255 -0.000 5.150) 5.156 ======================= Grid point 354 (107/125) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 6.863 -0.000 -6.476) 9.436 1.510 ( 6.863 -0.000 6.476) 9.436 1.679 ( 9.882 -2.008 -4.377) 10.993 1.679 ( 9.882 -2.008 4.377) 10.993 2.507 ( -2.077 -5.209 -8.039) 9.802 2.507 ( -2.077 -5.209 8.039) 9.802 2.773 ( 1.074 -1.732 -6.752) 7.053 2.773 ( 1.074 -1.732 6.752) 7.053 3.484 ( -15.608 1.510 -2.481) 15.876 3.484 ( -15.608 1.510 2.481) 15.876 3.797 ( -7.350 3.853 -13.562) 15.899 3.797 ( -7.350 3.853 13.562) 15.899 4.125 ( -3.815 1.874 -14.194) 14.816 4.125 ( -3.815 1.874 14.194) 14.816 4.591 ( 6.461 5.119 -4.734) 9.506 4.591 ( 6.461 5.119 4.734) 9.506 4.809 ( 2.282 -0.606 -4.948) 5.483 4.809 ( 2.282 -0.606 4.948) 5.483 5.044 ( -0.092 -1.405 -4.241) 4.469 5.044 ( -0.092 -1.405 4.241) 4.469 6.106 ( 0.980 2.797 -16.978) 17.235 6.106 ( 0.980 2.797 16.978) 17.235 6.637 ( 3.202 -3.753 -5.510) 7.396 6.637 ( 3.202 -3.753 5.510) 7.396 7.882 ( -2.264 -0.834 -5.093) 5.635 7.882 ( -2.264 -0.834 5.093) 5.635 11.341 ( 1.068 -0.256 -11.502) 11.555 11.341 ( 1.068 -0.256 11.502) 11.555 12.121 ( 8.294 -1.396 -10.853) 13.730 12.121 ( 8.294 -1.396 10.853) 13.730 13.944 ( -2.764 3.105 -5.995) 7.295 13.944 ( -2.764 3.105 5.995) 7.295 14.208 ( -6.587 2.037 -5.855) 9.045 14.208 ( -6.587 2.037 5.855) 9.045 17.116 ( 0.239 -2.497 -4.454) 5.112 17.116 ( 0.239 -2.497 4.454) 5.112 ======================= Grid point 356 (108/125) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 3.140 -0.017 -13.648) 14.004 1.558 ( 3.140 -0.017 13.648) 14.004 1.822 ( 10.628 -1.091 -5.499) 12.016 1.822 ( 10.628 -1.091 5.499) 12.016 2.580 ( -2.247 -5.666 -6.313) 8.775 2.580 ( -2.247 -5.666 6.313) 8.775 2.822 ( -0.792 -4.139 -5.789) 7.161 2.822 ( -0.792 -4.139 5.789) 7.161 3.289 ( -14.440 2.245 -4.376) 15.255 3.289 ( -14.440 2.245 4.376) 15.255 3.672 ( -5.198 2.399 -8.405) 10.170 3.672 ( -5.198 2.399 8.405) 10.170 4.066 ( -0.618 3.169 -12.822) 13.222 4.066 ( -0.618 3.169 12.822) 13.222 4.558 ( 4.950 5.859 -7.355) 10.627 4.558 ( 4.950 5.859 7.355) 10.627 4.838 ( 0.926 -0.770 -5.916) 6.037 4.838 ( 0.926 -0.770 5.916) 6.037 5.057 ( -0.022 -0.123 -3.032) 3.035 5.057 ( -0.022 -0.123 3.032) 3.035 6.047 ( -0.185 4.835 -14.327) 15.122 6.047 ( -0.185 4.835 14.327) 15.122 6.739 ( 2.209 -4.874 -8.843) 10.336 6.739 ( 2.209 -4.874 8.843) 10.336 7.882 ( -1.429 -1.617 -6.994) 7.319 7.882 ( -1.429 -1.617 6.994) 7.319 11.355 ( 0.780 -0.245 -13.729) 13.754 11.355 ( 0.780 -0.245 13.729) 13.754 12.234 ( 8.496 -1.337 -6.542) 10.806 12.234 ( 8.496 -1.337 6.542) 10.806 13.817 ( -6.839 5.563 -14.873) 17.290 13.817 ( -6.839 5.563 14.873) 17.290 14.143 ( -2.013 0.575 -3.694) 4.246 14.143 ( -2.013 0.575 3.694) 4.246 17.165 ( 0.041 -3.238 -3.198) 4.551 17.165 ( 0.041 -3.238 3.198) 4.551 ======================= Grid point 358 (109/125) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 1.932 0.100 -16.403) 16.517 1.583 ( 1.932 0.100 16.403) 16.517 1.901 ( 3.972 1.502 -4.187) 5.963 1.901 ( 3.972 1.502 4.187) 5.963 2.618 ( -1.831 -2.155 -5.318) 6.023 2.618 ( -1.831 -2.155 5.318) 6.023 2.882 ( -3.249 -5.663 -2.367) 6.945 2.882 ( -3.249 -5.663 2.367) 6.945 3.162 ( -7.232 -1.434 -6.065) 9.547 3.162 ( -7.232 -1.434 6.065) 9.547 3.628 ( -1.784 -1.222 -7.408) 7.717 3.628 ( -1.784 -1.222 7.408) 7.717 4.006 ( 2.285 5.358 -9.562) 11.197 4.006 ( 2.285 5.358 9.562) 11.197 4.519 ( 2.141 3.660 -8.131) 9.170 4.519 ( 2.141 3.660 8.131) 9.170 4.847 ( -0.484 -0.272 -4.219) 4.255 4.847 ( -0.484 -0.272 4.219) 4.255 5.050 ( 0.381 1.079 -2.490) 2.740 5.050 ( 0.381 1.079 2.490) 2.740 5.968 ( -0.399 4.047 -10.732) 11.477 5.968 ( -0.399 4.047 10.732) 11.477 6.821 ( 0.341 -3.464 -10.925) 11.467 6.821 ( 0.341 -3.464 10.925) 11.467 7.901 ( -0.255 -1.675 -8.501) 8.668 7.901 ( -0.255 -1.675 8.501) 8.668 11.363 ( 0.295 -0.054 -15.198) 15.201 11.363 ( 0.295 -0.054 15.198) 15.201 12.321 ( 6.326 0.627 -3.316) 7.170 12.321 ( 6.326 0.627 3.316) 7.170 13.671 ( -6.329 3.088 -21.945) 23.048 13.671 ( -6.329 3.088 21.945) 23.048 14.132 ( 0.178 0.030 -2.639) 2.645 14.132 ( 0.178 0.030 2.639) 2.645 17.212 ( -0.000 -2.546 -2.463) 3.543 17.212 ( -0.000 -2.546 2.463) 3.543 ======================= Grid point 360 (110/125) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 1.213 1.065 -17.052) 17.128 1.592 ( 1.213 1.065 17.052) 17.128 1.849 ( -4.527 3.997 -5.176) 7.954 1.849 ( -4.527 3.997 5.176) 7.954 2.645 ( 1.186 -2.355 -5.373) 5.985 2.645 ( 1.186 -2.355 5.373) 5.985 2.927 ( -2.832 -3.902 -7.090) 8.574 2.927 ( -2.832 -3.902 7.090) 8.574 3.179 ( -1.290 -5.488 -5.313) 7.747 3.179 ( -1.290 -5.488 5.313) 7.747 3.659 ( 0.062 -3.413 -8.762) 9.404 3.659 ( 0.062 -3.413 8.762) 9.404 3.952 ( 5.166 5.803 -4.249) 8.856 3.952 ( 5.166 5.803 4.249) 8.856 4.472 ( -1.979 3.025 -8.025) 8.802 4.472 ( -1.979 3.025 8.025) 8.802 4.852 ( -0.706 -1.787 -2.414) 3.086 4.852 ( -0.706 -1.787 2.414) 3.086 5.030 ( 0.346 2.091 -4.526) 4.998 5.030 ( 0.346 2.091 4.526) 4.998 5.930 ( 0.714 0.587 -6.990) 7.051 5.930 ( 0.714 0.587 6.990) 7.051 6.849 ( -1.429 -0.713 -11.978) 12.084 6.849 ( -1.429 -0.713 11.978) 12.084 7.925 ( 0.652 -0.931 -9.376) 9.444 7.925 ( 0.652 -0.931 9.376) 9.444 11.363 ( -0.160 0.197 -15.615) 15.617 11.363 ( -0.160 0.197 15.615) 15.617 12.332 ( 2.401 3.879 -3.644) 5.839 12.332 ( 2.401 3.879 3.644) 5.839 13.611 ( -3.285 -2.062 -24.686) 24.989 13.611 ( -3.285 -2.062 24.686) 24.989 14.140 ( 1.105 -0.198 -4.051) 4.204 14.140 ( 1.105 -0.198 4.051) 4.204 17.242 ( 0.160 -1.073 -2.474) 2.702 17.242 ( 0.160 -1.073 2.474) 2.702 ======================= Grid point 362 (111/125) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.718 3.497 -14.024) 14.472 1.563 ( -0.718 3.497 14.024) 14.472 1.719 ( -6.571 3.502 -9.248) 11.873 1.719 ( -6.570 3.502 9.248) 11.873 2.704 ( 2.497 -1.738 -7.483) 8.077 2.704 ( 2.497 -1.738 7.483) 8.077 2.937 ( -1.617 0.439 -4.157) 4.482 2.937 ( -1.617 0.439 4.157) 4.482 3.298 ( 2.370 -8.939 -6.047) 11.050 3.298 ( 2.370 -8.939 6.047) 11.050 3.725 ( 0.598 -4.201 -5.916) 7.280 3.725 ( 0.598 -4.201 5.916) 7.280 3.949 ( 7.397 2.288 -5.409) 9.445 3.949 ( 7.397 2.288 5.409) 9.445 4.380 ( -6.419 2.482 -9.380) 11.634 4.380 ( -6.419 2.482 9.380) 11.634 4.891 ( 1.319 -1.866 -2.622) 3.478 4.891 ( 1.319 -1.866 2.622) 3.478 4.994 ( -1.409 1.242 -4.349) 4.737 4.994 ( -1.409 1.242 4.349) 4.737 5.961 ( 1.738 -2.504 -7.192) 7.811 5.961 ( 1.738 -2.504 7.192) 7.811 6.815 ( -2.335 2.368 -12.122) 12.570 6.815 ( -2.335 2.368 12.122) 12.570 7.941 ( 1.034 0.046 -9.390) 9.447 7.941 ( 1.034 0.046 9.390) 9.447 11.354 ( -0.413 0.448 -14.856) 14.868 11.354 ( -0.413 0.448 14.856) 14.868 12.256 ( -0.855 6.177 -6.101) 8.724 12.256 ( -0.855 6.177 6.101) 8.724 13.663 ( -0.655 -6.578 -22.795) 23.734 13.663 ( -0.655 -6.578 22.795) 23.734 14.161 ( 1.588 -0.785 -6.416) 6.656 14.161 ( 1.588 -0.785 6.416) 6.656 17.247 ( 0.289 0.816 -2.659) 2.796 17.247 ( 0.289 0.816 2.659) 2.796 ======================= Grid point 364 (112/125) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -3.751 5.678 -13.239) 14.885 1.458 ( -3.751 5.678 13.239) 14.885 1.637 ( -2.012 1.631 -17.121) 17.316 1.637 ( -2.012 1.631 17.121) 17.316 2.736 ( 2.312 0.787 -8.865) 9.195 2.736 ( 2.312 0.787 8.865) 9.195 2.861 ( -1.865 6.758 -3.210) 7.711 2.861 ( -1.865 6.758 3.210) 7.711 3.502 ( 3.605 -11.601 -6.081) 13.585 3.502 ( 3.605 -11.601 6.081) 13.585 3.804 ( 1.311 -4.513 -7.258) 8.647 3.804 ( 1.311 -4.513 7.258) 8.647 4.038 ( 8.150 -3.144 -8.386) 12.109 4.038 ( 8.150 -3.144 8.386) 12.109 4.281 ( -8.961 -0.709 -11.104) 14.286 4.281 ( -8.961 -0.709 11.104) 14.286 4.892 ( 1.371 3.818 -5.163) 6.567 4.892 ( 1.371 3.818 5.163) 6.567 4.997 ( -1.524 -3.540 -4.005) 5.558 4.997 ( -1.524 -3.540 4.005) 5.558 6.025 ( 1.225 -2.979 -11.122) 11.578 6.025 ( 1.225 -2.979 11.122) 11.578 6.734 ( -1.832 4.736 -11.387) 12.468 6.734 ( -1.832 4.736 11.387) 12.468 7.945 ( 0.818 0.649 -8.292) 8.357 7.945 ( 0.818 0.649 8.292) 8.357 11.341 ( -0.363 0.642 -12.956) 12.977 11.341 ( -0.363 0.642 12.956) 12.977 12.139 ( -1.620 6.265 -9.937) 11.858 12.139 ( -1.620 6.265 9.937) 11.858 13.783 ( 0.137 -8.026 -17.443) 19.201 13.783 ( 0.137 -8.026 17.443) 19.201 14.202 ( 1.548 -2.431 -9.018) 9.468 14.202 ( 1.548 -2.431 9.018) 9.468 17.221 ( 0.197 2.728 -2.511) 3.713 17.221 ( 0.197 2.728 2.511) 3.713 ======================= Grid point 366 (113/125) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -0.000 4.677 -16.589) 17.236 1.349 ( -0.000 4.677 16.589) 17.236 1.604 ( -0.000 1.616 -17.938) 18.011 1.604 ( -0.000 1.616 17.938) 18.011 2.701 ( -0.000 10.001 -7.877) 12.730 2.701 ( -0.000 10.001 7.877) 12.730 2.741 ( -0.000 0.920 -8.573) 8.622 2.741 ( -0.000 0.920 8.573) 8.622 3.686 ( 0.000 -7.818 -4.014) 8.788 3.686 ( 0.000 -7.818 4.014) 8.788 3.882 ( 0.000 -3.470 -19.395) 19.703 3.882 ( 0.000 -3.470 19.395) 19.703 4.196 ( 0.000 -8.273 -5.491) 9.930 4.196 ( 0.000 -8.273 5.491) 9.930 4.252 ( 0.000 -4.851 -11.365) 12.357 4.252 ( 0.000 -4.851 11.365) 12.357 4.828 ( -0.000 4.625 -5.502) 7.188 4.828 ( -0.000 4.625 5.502) 7.188 5.036 ( 0.000 -1.729 -5.722) 5.977 5.036 ( 0.000 -1.729 5.722) 5.977 6.070 ( 0.000 -1.871 -15.419) 15.532 6.070 ( 0.000 -1.871 15.419) 15.532 6.642 ( -0.000 5.309 -9.317) 10.724 6.642 ( -0.000 5.309 9.317) 10.724 7.938 ( -0.000 0.725 -6.175) 6.217 7.938 ( -0.000 0.725 6.175) 6.217 11.328 ( -0.000 0.654 -10.383) 10.403 11.328 ( -0.000 0.654 10.383) 10.403 12.041 ( -0.000 4.630 -13.606) 14.372 12.041 ( -0.000 4.630 13.606) 14.372 13.896 ( 0.000 -5.660 -10.715) 12.118 13.896 ( 0.000 -5.660 10.715) 12.118 14.270 ( 0.000 -4.841 -9.933) 11.050 14.270 ( 0.000 -4.841 9.933) 11.050 17.169 ( -0.000 3.784 -2.727) 4.664 17.169 ( -0.000 3.784 2.727) 4.664 ======================= Grid point 372 (114/125) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 4.114 -0.000 -8.043) 9.034 1.568 ( 4.114 -0.000 8.043) 9.034 1.790 ( 13.668 -0.000 -6.742) 15.241 1.790 ( 13.668 -0.000 6.742) 15.241 2.449 ( -1.067 0.000 -7.430) 7.506 2.449 ( -1.067 0.000 7.430) 7.506 2.762 ( -0.661 0.000 -6.482) 6.516 2.762 ( -0.661 0.000 6.482) 6.516 3.326 ( -16.471 0.000 -3.720) 16.886 3.326 ( -16.471 0.000 3.720) 16.886 3.750 ( -7.797 0.000 -13.036) 15.190 3.750 ( -7.797 0.000 13.036) 15.190 4.086 ( -4.840 0.000 -16.641) 17.330 4.086 ( -4.840 0.000 16.641) 17.330 4.696 ( 5.769 -0.000 -1.273) 5.907 4.696 ( 5.769 -0.000 1.273) 5.907 4.837 ( 2.296 -0.000 -1.672) 2.841 4.837 ( 2.296 -0.000 1.672) 2.841 5.025 ( -0.217 0.000 -2.598) 2.608 5.025 ( -0.217 0.000 2.598) 2.608 6.147 ( 1.526 -0.000 -17.007) 17.075 6.147 ( 1.526 -0.000 17.007) 17.075 6.637 ( 2.837 -0.000 -3.258) 4.320 6.637 ( 2.837 -0.000 3.258) 4.320 7.851 ( -2.145 0.000 -5.800) 6.184 7.851 ( -2.145 0.000 5.800) 6.184 11.350 ( 1.077 -0.000 -13.528) 13.571 11.350 ( 1.077 -0.000 13.528) 13.571 12.212 ( 10.712 -0.000 -8.177) 13.476 12.212 ( 10.712 -0.000 8.177) 13.476 13.919 ( -7.705 0.000 -3.179) 8.335 13.919 ( -7.705 0.000 3.179) 8.335 14.160 ( -4.346 0.000 -1.183) 4.504 14.160 ( -4.346 0.000 1.183) 4.504 17.100 ( 0.565 -0.000 -5.329) 5.359 17.100 ( 0.565 -0.000 5.329) 5.359 ======================= Grid point 374 (115/125) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 3.356 0.812 -10.594) 11.142 1.599 ( 3.356 0.812 10.594) 11.142 1.926 ( 10.529 -0.040 -5.726) 11.985 1.926 ( 10.529 -0.040 5.726) 11.985 2.479 ( -0.622 -4.380 -6.865) 8.167 2.479 ( -0.622 -4.380 6.865) 8.167 2.756 ( -3.093 -1.550 -6.372) 7.250 2.756 ( -3.093 -1.550 6.372) 7.250 3.160 ( -13.473 0.424 -4.997) 14.376 3.160 ( -13.473 0.424 4.997) 14.376 3.657 ( -5.209 2.012 -11.703) 12.967 3.657 ( -5.209 2.012 11.703) 12.967 4.047 ( -4.302 -1.240 -14.732) 15.397 4.047 ( -4.302 -1.240 14.732) 15.397 4.706 ( 4.709 5.468 -4.589) 8.552 4.706 ( 4.709 5.468 4.589) 8.552 4.852 ( 2.048 0.316 -4.839) 5.264 4.852 ( 2.048 0.316 4.839) 5.264 5.037 ( -0.676 -1.371 -3.423) 3.749 5.037 ( -0.676 -1.371 3.423) 3.749 6.126 ( 0.711 4.053 -15.734) 16.263 6.126 ( 0.711 4.053 15.734) 16.263 6.691 ( 1.811 -3.324 -5.894) 7.005 6.691 ( 1.811 -3.324 5.894) 7.005 7.843 ( -1.260 -1.349 -7.319) 7.548 7.843 ( -1.260 -1.349 7.319) 7.548 11.361 ( 0.773 -0.052 -15.634) 15.653 11.361 ( 0.773 -0.052 15.634) 15.653 12.329 ( 11.294 0.036 -4.520) 12.165 12.329 ( 11.294 0.036 4.520) 12.165 13.788 ( -11.626 2.817 -12.042) 16.974 13.788 ( -11.626 2.817 12.042) 16.974 14.135 ( -0.491 0.140 -2.859) 2.904 14.135 ( -0.491 0.140 2.859) 2.904 17.123 ( 0.496 -2.089 -4.938) 5.385 17.123 ( 0.496 -2.089 4.938) 5.385 ======================= Grid point 376 (116/125) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 2.866 0.952 -13.212) 13.553 1.617 ( 2.866 0.952 13.212) 13.553 1.976 ( 2.729 3.155 -4.492) 6.131 1.976 ( 2.729 3.155 4.492) 6.131 2.552 ( -0.270 -4.544 -6.128) 7.633 2.552 ( -0.270 -4.544 6.128) 7.633 2.747 ( -5.793 -3.954 -3.967) 8.058 2.747 ( -5.793 -3.954 3.967) 8.058 3.065 ( -6.184 -1.793 -7.442) 9.840 3.065 ( -6.184 -1.793 7.442) 9.840 3.607 ( -0.900 0.010 -11.655) 11.690 3.607 ( -0.900 0.010 11.656) 11.690 4.035 ( -2.446 -1.541 -9.624) 10.049 4.035 ( -2.446 -1.541 9.624) 10.049 4.641 ( 3.400 7.384 -5.771) 9.969 4.641 ( 3.400 7.384 5.771) 9.969 4.860 ( 0.914 1.345 -4.659) 4.935 4.860 ( 0.914 1.345 4.659) 4.935 5.047 ( -0.802 -1.066 -2.084) 2.475 5.047 ( -0.802 -1.066 2.084) 2.475 6.047 ( 0.124 5.753 -13.545) 14.717 6.047 ( 0.124 5.753 13.545) 14.717 6.763 ( 0.206 -3.894 -8.579) 9.424 6.763 ( 0.206 -3.894 8.579) 9.424 7.866 ( -0.162 -2.308 -8.942) 9.237 7.866 ( -0.162 -2.308 8.942) 9.237 11.367 ( 0.324 0.077 -17.114) 17.117 11.367 ( 0.324 0.077 17.114) 17.117 12.426 ( 9.435 1.918 -2.605) 9.974 12.426 ( 9.435 1.918 2.606) 9.974 13.627 ( -10.252 2.178 -19.594) 22.221 13.627 ( -10.252 2.178 19.594) 22.221 14.137 ( 0.727 -0.030 -4.262) 4.324 14.137 ( 0.727 -0.030 4.262) 4.324 17.169 ( 0.278 -2.873 -4.242) 5.131 17.169 ( 0.278 -2.873 4.242) 5.131 ======================= Grid point 378 (117/125) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 2.609 1.062 -14.941) 15.204 1.630 ( 2.609 1.062 14.941) 15.204 1.885 ( -4.370 6.283 -5.745) 9.570 1.885 ( -4.370 6.283 5.745) 9.570 2.610 ( 0.847 -3.085 -5.843) 6.661 2.610 ( 0.847 -3.085 5.843) 6.661 2.789 ( -4.343 -7.600 -8.129) 11.946 2.789 ( -4.343 -7.600 8.129) 11.946 3.078 ( -1.740 -4.521 -8.867) 10.104 3.078 ( -1.740 -4.521 8.867) 10.104 3.627 ( 1.101 -1.700 -13.714) 13.863 3.627 ( 1.101 -1.700 13.714) 13.863 4.042 ( 1.025 -0.206 -5.474) 5.573 4.042 ( 1.025 -0.206 5.474) 5.573 4.548 ( 0.959 7.529 -7.328) 10.550 4.548 ( 0.959 7.529 7.328) 10.550 4.833 ( -0.906 0.989 -4.366) 4.567 4.833 ( -0.906 0.989 4.366) 4.567 5.055 ( 0.161 0.060 -3.164) 3.169 5.055 ( 0.161 0.060 3.164) 3.169 5.969 ( 0.305 3.754 -10.167) 10.842 5.969 ( 0.305 3.754 10.167) 10.842 6.810 ( -1.013 -2.415 -10.440) 10.764 6.810 ( -1.013 -2.415 10.440) 10.764 7.906 ( 0.494 -2.204 -10.212) 10.459 7.906 ( 0.494 -2.204 10.212) 10.459 11.365 ( -0.039 0.264 -17.678) 17.680 11.365 ( -0.039 0.264 17.678) 17.680 12.447 ( 5.200 5.274 -4.462) 8.646 12.447 ( 5.200 5.274 4.462) 8.646 13.533 ( -5.930 -1.514 -24.246) 25.006 13.533 ( -5.930 -1.514 24.246) 25.006 14.148 ( 0.956 -0.215 -5.328) 5.417 14.148 ( 0.956 -0.215 5.328) 5.417 17.215 ( 0.174 -2.473 -3.918) 4.636 17.215 ( 0.174 -2.473 3.918) 4.636 ======================= Grid point 380 (118/125) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 2.844 2.896 -13.922) 14.502 1.631 ( 2.844 2.896 13.922) 14.502 1.724 ( -5.984 5.822 -8.181) 11.690 1.724 ( -5.984 5.823 8.181) 11.690 2.678 ( 1.302 -3.715 -7.128) 8.143 2.678 ( 1.302 -3.715 7.128) 8.143 2.871 ( -1.808 -6.015 -8.155) 10.294 2.871 ( -1.808 -6.015 8.155) 10.294 3.165 ( -0.244 -7.811 -8.870) 11.821 3.165 ( -0.244 -7.811 8.870) 11.821 3.671 ( 0.537 -2.674 -12.862) 13.148 3.671 ( 0.537 -2.674 12.862) 13.148 4.060 ( 3.958 1.168 -3.229) 5.240 4.060 ( 3.958 1.168 3.229) 5.240 4.412 ( -2.669 8.242 -10.198) 13.381 4.412 ( -2.669 8.242 10.198) 13.381 4.841 ( -0.295 -3.073 -3.157) 4.416 4.841 ( -0.295 -3.073 3.157) 4.416 5.034 ( 0.104 2.836 -4.144) 5.023 5.034 ( 0.104 2.836 4.144) 5.023 5.948 ( 0.665 -0.458 -6.678) 6.727 5.948 ( 0.665 -0.458 6.678) 6.727 6.817 ( -1.150 0.117 -11.593) 11.651 6.817 ( -1.150 0.117 11.593) 11.651 7.940 ( 0.509 -1.262 -10.716) 10.802 7.940 ( 0.509 -1.262 10.716) 10.802 11.358 ( -0.160 0.436 -17.146) 17.152 11.358 ( -0.160 0.436 17.146) 17.152 12.372 ( 1.171 7.806 -5.486) 9.613 12.372 ( 1.171 7.806 5.486) 9.613 13.552 ( -1.765 -5.497 -24.703) 25.368 13.552 ( -1.765 -5.497 24.703) 25.368 14.163 ( 0.725 -0.547 -6.570) 6.633 14.163 ( 0.725 -0.547 6.570) 6.633 17.246 ( 0.135 -1.170 -3.825) 4.002 17.246 ( 0.135 -1.170 3.825) 4.002 ======================= Grid point 382 (119/125) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.000 7.571 -11.532) 13.795 1.548 ( -0.000 7.571 11.532) 13.795 1.648 ( -0.000 1.147 -18.140) 18.176 1.648 ( -0.000 1.147 18.140) 18.176 2.734 ( 0.000 -2.061 -10.120) 10.328 2.734 ( 0.000 -2.061 10.120) 10.328 2.915 ( -0.000 0.204 -2.959) 2.966 2.915 ( -0.000 0.204 2.959) 2.966 3.322 ( 0.000 -11.755 -7.917) 14.173 3.322 ( 0.000 -11.755 7.917) 14.173 3.728 ( 0.000 -4.434 -7.190) 8.448 3.728 ( 0.000 -4.434 7.190) 8.448 4.081 ( 0.000 -0.090 -4.497) 4.498 4.081 ( 0.000 -0.090 4.497) 4.498 4.266 ( -0.000 6.173 -14.799) 16.035 4.266 ( -0.000 6.173 14.799) 16.035 4.911 ( 0.000 -5.132 -2.901) 5.895 4.911 ( 0.000 -5.132 2.901) 5.895 4.973 ( -0.000 4.502 -4.703) 6.511 4.973 ( -0.000 4.502 4.703) 6.511 5.983 ( 0.000 -2.931 -7.149) 7.727 5.983 ( 0.000 -2.931 7.149) 7.727 6.786 ( -0.000 2.792 -12.048) 12.367 6.786 ( -0.000 2.792 12.048) 12.367 7.953 ( 0.000 -0.142 -10.089) 10.090 7.953 ( 0.000 -0.142 10.089) 10.090 11.349 ( -0.000 0.577 -15.454) 15.465 11.349 ( -0.000 0.577 15.454) 15.465 12.247 ( -0.000 7.969 -7.333) 10.829 12.247 ( -0.000 7.969 7.333) 10.829 13.654 ( 0.000 -7.844 -22.097) 23.448 13.654 ( 0.000 -7.844 22.097) 23.448 14.180 ( 0.000 -1.236 -7.911) 8.007 14.180 ( 0.000 -1.236 7.911) 8.007 17.251 ( -0.000 0.762 -3.419) 3.503 17.251 ( -0.000 0.762 3.419) 3.503 ======================= Grid point 392 (120/125) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 3.470 -0.000 -7.217) 8.008 1.644 ( 3.470 -0.000 7.217) 8.008 2.020 ( 6.605 -0.000 -6.233) 9.082 2.020 ( 6.605 -0.000 6.233) 9.082 2.441 ( 0.169 -0.000 -5.513) 5.515 2.441 ( 0.169 -0.000 5.513) 5.515 2.709 ( -3.825 0.000 -4.371) 5.808 2.709 ( -3.825 0.000 4.371) 5.808 3.039 ( -9.743 0.000 -6.437) 11.677 3.039 ( -9.743 0.000 6.437) 11.677 3.624 ( -3.589 0.000 -14.523) 14.960 3.624 ( -3.589 0.000 14.523) 14.960 3.976 ( -5.862 0.000 -14.856) 15.971 3.976 ( -5.862 0.000 14.856) 15.971 4.800 ( 4.009 -0.000 -0.162) 4.012 4.800 ( 4.009 -0.000 0.162) 4.012 4.877 ( 1.996 -0.000 -2.145) 2.930 4.877 ( 1.996 -0.000 2.145) 2.930 5.017 ( -0.769 0.000 -3.064) 3.159 5.017 ( -0.769 0.000 3.064) 3.159 6.167 ( 0.342 -0.000 -15.715) 15.719 6.167 ( 0.342 -0.000 15.715) 15.719 6.681 ( 1.374 -0.000 -4.398) 4.607 6.681 ( 1.374 -0.000 4.398) 4.607 7.820 ( -0.757 0.000 -8.086) 8.121 7.820 ( -0.757 0.000 8.086) 8.121 11.368 ( 0.568 -0.000 -17.513) 17.522 11.368 ( 0.568 -0.000 17.513) 17.522 12.456 ( 12.166 -0.000 -1.141) 12.219 12.456 ( 12.166 -0.000 1.141) 12.219 13.675 ( -13.499 0.000 -14.346) 19.698 13.675 ( -13.499 0.000 14.346) 19.698 14.137 ( 0.531 -0.000 -4.228) 4.261 14.137 ( 0.531 -0.000 4.228) 4.261 17.113 ( 0.641 -0.000 -5.617) 5.654 17.113 ( 0.641 -0.000 5.617) 5.654 ======================= Grid point 394 (121/125) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 3.034 1.214 -8.618) 9.217 1.667 ( 3.034 1.214 8.618) 9.217 2.041 ( 0.359 2.518 -6.117) 6.625 2.041 ( 0.359 2.518 6.117) 6.625 2.480 ( 0.672 -4.251 -6.718) 7.978 2.480 ( 0.672 -4.251 6.718) 7.978 2.666 ( -4.034 0.403 -4.659) 6.176 2.666 ( -4.034 0.403 4.659) 6.176 2.978 ( -4.449 -2.031 -8.259) 9.598 2.978 ( -4.449 -2.031 8.259) 9.598 3.602 ( -0.127 -0.052 -15.898) 15.898 3.602 ( -0.127 -0.052 15.898) 15.898 3.944 ( -5.171 -3.417 -10.634) 12.309 3.944 ( -5.171 -3.417 10.634) 12.309 4.785 ( 2.780 5.575 -3.516) 7.153 4.785 ( 2.780 5.575 3.516) 7.153 4.897 ( 2.205 0.975 -4.953) 5.509 4.897 ( 2.205 0.975 4.953) 5.509 5.014 ( -1.530 -1.109 -2.771) 3.353 5.014 ( -1.530 -1.109 2.771) 3.353 6.132 ( 0.006 4.237 -14.751) 15.348 6.132 ( 0.006 4.237 14.751) 15.348 6.713 ( 0.439 -2.492 -6.007) 6.519 6.713 ( 0.439 -2.492 6.007) 6.519 7.830 ( -0.126 -1.776 -9.142) 9.313 7.830 ( -0.126 -1.776 9.142) 9.313 11.371 ( 0.263 0.114 -18.780) 18.782 11.371 ( 0.263 0.114 18.780) 18.782 12.563 ( 10.238 1.832 -3.321) 10.918 12.563 ( 10.238 1.832 3.321) 10.918 13.534 ( -11.282 0.661 -19.821) 22.816 13.534 ( -11.282 0.661 19.821) 22.816 14.144 ( 0.714 -0.046 -5.132) 5.181 14.144 ( 0.714 -0.046 5.132) 5.181 17.134 ( 0.432 -1.805 -5.436) 5.744 17.134 ( 0.432 -1.805 5.436) 5.744 ======================= Grid point 396 (122/125) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 2.113 1.196 -11.728) 11.977 1.673 ( 2.113 1.196 11.728) 11.977 1.952 ( -2.728 6.408 -6.780) 9.720 1.952 ( -2.728 6.408 6.780) 9.720 2.573 ( 2.207 -4.143 -5.981) 7.603 2.573 ( 2.207 -4.143 5.981) 7.603 2.638 ( -4.145 -4.043 -5.443) 7.947 2.638 ( -4.145 -4.043 5.443) 7.947 2.999 ( -1.159 -3.678 -10.037) 10.752 2.999 ( -1.159 -3.678 10.037) 10.752 3.619 ( 1.130 -0.925 -17.975) 18.034 3.619 ( 1.130 -0.925 17.975) 18.034 3.979 ( -2.075 -5.493 -6.423) 8.702 3.979 ( -2.075 -5.493 6.423) 8.702 4.699 ( 1.827 8.205 -4.857) 9.708 4.699 ( 1.827 8.205 4.857) 9.708 4.867 ( -0.150 3.657 -6.014) 7.040 4.867 ( -0.150 3.657 6.014) 7.040 5.033 ( -0.358 -2.318 -2.707) 3.582 5.033 ( -0.358 -2.318 2.707) 3.582 6.049 ( 0.035 5.688 -12.858) 14.060 6.049 ( 0.035 5.688 12.858) 14.060 6.759 ( -0.263 -2.950 -8.234) 8.751 6.759 ( -0.263 -2.950 8.234) 8.751 7.869 ( 0.184 -2.734 -10.272) 10.631 7.869 ( 0.184 -2.734 10.272) 10.631 11.370 ( 0.035 0.279 -19.229) 19.231 11.370 ( 0.035 0.279 19.229) 19.231 12.589 ( 5.001 5.201 -6.533) 9.733 12.589 ( 5.001 5.201 6.533) 9.733 13.448 ( -5.470 -1.366 -24.640) 25.277 13.448 ( -5.470 -1.366 24.640) 25.277 14.152 ( 0.493 -0.183 -5.767) 5.791 14.152 ( 0.493 -0.183 5.767) 5.791 17.174 ( 0.165 -2.677 -5.001) 5.675 17.174 ( 0.165 -2.677 5.001) 5.675 ======================= Grid point 398 (123/125) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -0.000 0.605 -14.672) 14.684 1.672 ( -0.000 0.605 14.672) 14.684 1.811 ( -0.000 8.493 -8.060) 11.708 1.811 ( -0.000 8.493 8.060) 11.708 2.627 ( 0.000 -3.053 -6.674) 7.340 2.627 ( 0.000 -3.053 6.674) 7.340 2.737 ( 0.000 -8.711 -10.977) 14.014 2.737 ( 0.000 -8.711 10.977) 14.014 3.063 ( 0.000 -5.083 -10.390) 11.567 3.063 ( 0.000 -5.083 10.390) 11.567 3.644 ( 0.000 -1.426 -17.242) 17.301 3.644 ( 0.000 -1.426 17.242) 17.301 4.051 ( 0.000 -3.770 -4.241) 5.674 4.051 ( 0.000 -3.770 4.241) 5.674 4.560 ( -0.000 10.241 -7.380) 12.623 4.560 ( -0.000 10.241 7.380) 12.623 4.820 ( -0.000 1.040 -5.108) 5.213 4.820 ( -0.000 1.040 5.108) 5.213 5.057 ( 0.000 -0.291 -3.375) 3.388 5.057 ( 0.000 -0.291 3.375) 3.388 5.973 ( -0.000 3.399 -9.847) 10.417 5.973 ( -0.000 3.399 9.847) 10.417 6.797 ( 0.000 -1.862 -10.166) 10.335 6.797 ( 0.000 -1.862 10.166) 10.335 7.912 ( 0.000 -2.414 -10.963) 11.226 7.912 ( 0.000 -2.414 10.963) 11.226 11.364 ( -0.000 0.391 -18.711) 18.715 11.364 ( -0.000 0.391 18.711) 18.715 12.507 ( -0.000 7.675 -6.289) 9.923 12.507 ( -0.000 7.675 6.289) 9.923 13.465 ( 0.000 -3.854 -25.681) 25.969 13.465 ( 0.000 -3.854 25.681) 25.969 14.159 ( 0.000 -0.348 -6.294) 6.303 14.159 ( 0.000 -0.348 6.294) 6.303 17.217 ( 0.000 -2.453 -4.529) 5.151 17.217 ( 0.000 -2.453 4.529) 5.151 ======================= Grid point 412 (124/125) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 2.023 -0.000 -4.760) 5.172 1.706 ( 2.023 -0.000 4.760) 5.172 2.056 ( -1.233 0.000 -7.642) 7.741 2.056 ( -1.233 0.000 7.642) 7.741 2.448 ( 0.321 -0.000 -4.525) 4.536 2.448 ( 0.321 -0.000 4.525) 4.536 2.654 ( -1.065 0.000 -0.219) 1.088 2.654 ( -1.065 0.000 0.219) 1.088 2.921 ( -2.366 0.000 -8.291) 8.622 2.921 ( -2.366 0.000 8.291) 8.622 3.605 ( 0.907 -0.000 -19.430) 19.451 3.605 ( 0.907 -0.000 19.430) 19.451 3.860 ( -4.245 0.000 -9.950) 10.818 3.860 ( -4.245 0.000 9.950) 10.818 4.852 ( 1.112 -0.000 -1.039) 1.522 4.852 ( 1.112 -0.000 1.039) 1.522 4.931 ( 2.990 -0.000 -4.578) 5.468 4.931 ( 2.990 -0.000 4.578) 5.468 4.987 ( -2.142 0.000 -3.445) 4.057 4.987 ( -2.142 0.000 3.445) 4.057 6.167 ( -0.133 0.000 -14.952) 14.953 6.167 ( -0.133 0.000 14.952) 14.953 6.697 ( 0.320 -0.000 -4.715) 4.726 6.697 ( 0.320 -0.000 4.715) 4.726 7.814 ( -0.030 0.000 -9.301) 9.301 7.814 ( -0.030 0.000 9.301) 9.301 11.375 ( 0.125 -0.000 -19.740) 19.740 11.375 ( 0.125 -0.000 19.740) 19.740 12.675 ( 7.221 -0.000 -7.014) 10.067 12.675 ( 7.221 -0.000 7.014) 10.067 13.433 ( -7.854 0.000 -23.200) 24.493 13.433 ( -7.854 0.000 23.200) 24.493 14.149 ( 0.412 -0.000 -5.480) 5.495 14.149 ( 0.412 -0.000 5.480) 5.495 17.123 ( 0.285 -0.000 -5.837) 5.844 17.123 ( 0.285 -0.000 5.837) 5.844 ======================= Grid point 414 (125/125) ======================= q-point: (-0.44 -0.56 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -0.000 1.231 -7.595) 7.695 1.705 ( -0.000 1.231 7.595) 7.695 2.020 ( -0.000 3.544 -7.687) 8.465 2.020 ( -0.000 3.544 7.687) 8.465 2.492 ( 0.000 -5.141 -7.557) 9.140 2.492 ( 0.000 -5.141 7.557) 9.140 2.623 ( -0.000 2.368 -5.997) 6.448 2.623 ( -0.000 2.368 5.997) 6.448 2.938 ( 0.000 -3.056 -9.542) 10.019 2.938 ( 0.000 -3.056 9.542) 10.019 3.615 ( 0.000 -0.440 -20.590) 20.595 3.615 ( 0.000 -0.440 20.590) 20.595 3.876 ( 0.000 -4.712 -7.971) 9.260 3.876 ( 0.000 -4.712 7.971) 9.260 4.815 ( -0.000 4.959 -2.791) 5.691 4.815 ( -0.000 4.959 2.791) 5.691 4.929 ( -0.000 3.361 -7.291) 8.029 4.929 ( -0.000 3.361 7.291) 8.029 4.988 ( 0.000 -2.499 -2.330) 3.417 4.988 ( 0.000 -2.499 2.330) 3.417 6.131 ( -0.000 4.133 -14.343) 14.927 6.131 ( -0.000 4.133 14.343) 14.927 6.717 ( 0.000 -2.078 -5.939) 6.292 6.717 ( 0.000 -2.078 5.939) 6.292 7.830 ( 0.000 -1.932 -9.768) 9.957 7.830 ( 0.000 -1.932 9.768) 9.957 11.374 ( -0.000 0.175 -19.908) 19.909 11.374 ( -0.000 0.175 19.908) 19.909 12.689 ( -0.000 3.181 -8.852) 9.407 12.689 ( -0.000 3.181 8.852) 9.407 13.396 ( 0.000 -0.825 -25.620) 25.634 13.396 ( 0.000 -0.825 25.620) 25.634 14.152 ( 0.000 -0.099 -5.700) 5.701 14.152 ( 0.000 -0.099 5.700) 5.701 17.139 ( 0.000 -1.710 -5.642) 5.896 17.139 ( 0.000 -1.710 5.642) 5.896 =================== 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 3/23328 10.0 314.012 274.249 241.044 0.000 0.000 -0.000 3/23328 20.0 69.877 48.062 83.193 0.000 0.000 -0.000 3/23328 30.0 29.137 19.075 37.871 0.000 0.000 -0.000 3/23328 40.0 16.419 10.917 22.194 0.000 0.000 -0.000 3/23328 50.0 10.967 7.472 15.245 0.000 0.000 -0.000 3/23328 60.0 8.117 5.648 11.544 0.000 0.000 -0.000 3/23328 70.0 6.415 4.538 9.314 0.000 0.000 -0.000 3/23328 80.0 5.299 3.798 7.850 0.000 0.000 -0.000 3/23328 90.0 4.516 3.271 6.828 0.000 0.000 -0.000 3/23328 100.0 3.938 2.878 6.076 0.000 0.000 -0.000 3/23328 110.0 3.495 2.574 5.501 0.000 0.000 -0.000 3/23328 120.0 3.146 2.332 5.045 0.000 0.000 -0.000 3/23328 130.0 2.863 2.136 4.672 0.000 0.000 -0.000 3/23328 140.0 2.629 1.973 4.361 0.000 0.000 -0.000 3/23328 150.0 2.432 1.836 4.096 0.000 0.000 -0.000 3/23328 160.0 2.265 1.719 3.865 0.000 0.000 -0.000 3/23328 170.0 2.121 1.618 3.663 0.000 0.000 -0.000 3/23328 180.0 1.995 1.530 3.483 0.000 0.000 -0.000 3/23328 190.0 1.885 1.452 3.322 0.000 0.000 -0.000 3/23328 200.0 1.786 1.382 3.176 0.000 0.000 -0.000 3/23328 210.0 1.699 1.320 3.043 0.000 0.000 -0.000 3/23328 220.0 1.620 1.263 2.922 0.000 0.000 -0.000 3/23328 230.0 1.548 1.212 2.810 0.000 0.000 -0.000 3/23328 240.0 1.483 1.166 2.706 0.000 0.000 -0.000 3/23328 250.0 1.423 1.123 2.611 0.000 0.000 -0.000 3/23328 260.0 1.369 1.083 2.521 0.000 0.000 -0.000 3/23328 270.0 1.318 1.046 2.438 0.000 0.000 -0.000 3/23328 280.0 1.272 1.012 2.360 0.000 0.000 -0.000 3/23328 290.0 1.228 0.981 2.287 0.000 0.000 -0.000 3/23328 300.0 1.188 0.951 2.219 0.000 0.000 -0.000 3/23328 310.0 1.150 0.923 2.154 0.000 0.000 -0.000 3/23328 320.0 1.115 0.897 2.093 0.000 0.000 -0.000 3/23328 330.0 1.082 0.872 2.035 0.000 0.000 -0.000 3/23328 340.0 1.051 0.849 1.981 0.000 0.000 -0.000 3/23328 350.0 1.021 0.827 1.929 0.000 0.000 -0.000 3/23328 360.0 0.993 0.806 1.880 0.000 0.000 -0.000 3/23328 370.0 0.967 0.786 1.833 0.000 0.000 -0.000 3/23328 380.0 0.942 0.767 1.788 0.000 0.000 -0.000 3/23328 390.0 0.919 0.749 1.746 0.000 0.000 -0.000 3/23328 400.0 0.896 0.732 1.706 0.000 0.000 -0.000 3/23328 410.0 0.875 0.716 1.667 0.000 0.000 -0.000 3/23328 420.0 0.855 0.700 1.630 0.000 0.000 -0.000 3/23328 430.0 0.835 0.685 1.594 0.000 0.000 -0.000 3/23328 440.0 0.817 0.671 1.561 0.000 0.000 -0.000 3/23328 450.0 0.799 0.657 1.528 0.000 0.000 -0.000 3/23328 460.0 0.782 0.644 1.497 0.000 0.000 -0.000 3/23328 470.0 0.766 0.631 1.467 0.000 0.000 -0.000 3/23328 480.0 0.750 0.619 1.438 0.000 0.000 -0.000 3/23328 490.0 0.735 0.608 1.410 0.000 0.000 -0.000 3/23328 500.0 0.721 0.596 1.384 0.000 0.000 -0.000 3/23328 510.0 0.707 0.585 1.358 0.000 0.000 -0.000 3/23328 520.0 0.694 0.575 1.333 0.000 0.000 -0.000 3/23328 530.0 0.681 0.565 1.309 0.000 0.000 -0.000 3/23328 540.0 0.669 0.555 1.286 0.000 0.000 -0.000 3/23328 550.0 0.657 0.546 1.264 0.000 0.000 -0.000 3/23328 560.0 0.645 0.537 1.242 0.000 0.000 -0.000 3/23328 570.0 0.634 0.528 1.222 0.000 0.000 -0.000 3/23328 580.0 0.624 0.519 1.201 0.000 0.000 -0.000 3/23328 590.0 0.613 0.511 1.182 0.000 0.000 -0.000 3/23328 600.0 0.603 0.503 1.163 0.000 0.000 -0.000 3/23328 610.0 0.594 0.495 1.145 0.000 0.000 -0.000 3/23328 620.0 0.584 0.488 1.127 0.000 0.000 -0.000 3/23328 630.0 0.575 0.481 1.110 0.000 0.000 -0.000 3/23328 640.0 0.566 0.474 1.093 0.000 0.000 -0.000 3/23328 650.0 0.558 0.467 1.077 0.000 0.000 -0.000 3/23328 660.0 0.550 0.460 1.061 0.000 0.000 -0.000 3/23328 670.0 0.541 0.453 1.046 0.000 0.000 -0.000 3/23328 680.0 0.534 0.447 1.031 0.000 0.000 -0.000 3/23328 690.0 0.526 0.441 1.017 0.000 0.000 -0.000 3/23328 700.0 0.519 0.435 1.003 0.000 0.000 -0.000 3/23328 710.0 0.512 0.429 0.989 0.000 0.000 -0.000 3/23328 720.0 0.505 0.424 0.976 0.000 0.000 -0.000 3/23328 730.0 0.498 0.418 0.963 0.000 0.000 -0.000 3/23328 740.0 0.491 0.413 0.950 0.000 0.000 -0.000 3/23328 750.0 0.485 0.407 0.938 0.000 0.000 -0.000 3/23328 760.0 0.478 0.402 0.926 0.000 0.000 -0.000 3/23328 770.0 0.472 0.397 0.914 0.000 0.000 -0.000 3/23328 780.0 0.466 0.393 0.903 0.000 0.000 -0.000 3/23328 790.0 0.461 0.388 0.892 0.000 0.000 -0.000 3/23328 800.0 0.455 0.383 0.881 0.000 0.000 -0.000 3/23328 810.0 0.449 0.379 0.870 0.000 0.000 -0.000 3/23328 820.0 0.444 0.374 0.860 0.000 0.000 -0.000 3/23328 830.0 0.439 0.370 0.850 0.000 0.000 -0.000 3/23328 840.0 0.434 0.366 0.840 0.000 0.000 -0.000 3/23328 850.0 0.429 0.362 0.830 0.000 0.000 -0.000 3/23328 860.0 0.424 0.358 0.821 0.000 0.000 -0.000 3/23328 870.0 0.419 0.354 0.812 0.000 0.000 -0.000 3/23328 880.0 0.414 0.350 0.803 0.000 0.000 -0.000 3/23328 890.0 0.410 0.346 0.794 0.000 0.000 -0.000 3/23328 900.0 0.405 0.342 0.785 0.000 0.000 -0.000 3/23328 910.0 0.401 0.339 0.777 0.000 0.000 -0.000 3/23328 920.0 0.396 0.335 0.769 0.000 0.000 -0.000 3/23328 930.0 0.392 0.332 0.761 0.000 0.000 -0.000 3/23328 940.0 0.388 0.328 0.753 0.000 0.000 -0.000 3/23328 950.0 0.384 0.325 0.745 0.000 0.000 -0.000 3/23328 960.0 0.380 0.322 0.737 0.000 0.000 -0.000 3/23328 970.0 0.376 0.319 0.730 0.000 0.000 -0.000 3/23328 980.0 0.372 0.315 0.723 0.000 0.000 -0.000 3/23328 990.0 0.369 0.312 0.715 0.000 0.000 -0.000 3/23328 1000.0 0.365 0.309 0.708 0.000 0.000 -0.000 3/23328 Thermal conductivity related properties were written into "kappa-m998.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:12:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|