----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:00:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.493490599451558 2.594318007194405 3.441550313333329 b -4.493490599451550 2.594318007194405 3.441550313333329 c 0.000000000000000 -5.188636014388810 3.441550313333329 Atomic positions (fractional): *1 Lu 0.92860651344936 0.74499366220556 0.43450978495166 174.967 2 Lu 0.56549021504834 0.07139348655064 0.25500633779444 174.967 3 Lu 0.25500633779444 0.56549021504834 0.07139348655064 174.967 4 Lu 0.74499366220556 0.43450978495166 0.92860651344936 174.967 5 Lu 0.43450978495166 0.92860651344936 0.74499366220556 174.967 6 Lu 0.07139348655064 0.25500633779444 0.56549021504834 174.967 *7 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 *8 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 *9 O 0.93005347657688 0.70288965936806 0.07456692750786 15.999 10 O 0.92543307249214 0.06994652342312 0.29711034063194 15.999 *11 O 0.54301611218268 0.41533242310185 0.20458559359198 15.999 12 O 0.29711034063194 0.92543307249215 0.06994652342312 15.999 13 O 0.79541440640802 0.45698388781732 0.58466757689815 15.999 14 O 0.58466757689815 0.79541440640802 0.45698388781732 15.999 15 O 0.41533242310185 0.20458559359198 0.54301611218268 15.999 16 O 0.20458559359198 0.54301611218268 0.41533242310185 15.999 17 O 0.70288965936806 0.07456692750786 0.93005347657688 15.999 18 O 0.45698388781732 0.58466757689815 0.79541440640802 15.999 19 O 0.07456692750786 0.93005347657688 0.70288965936806 15.999 20 O 0.06994652342312 0.29711034063194 0.92543307249214 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.986981198903109 0.000000000000000 0.000000000000000 b -4.493490599451555 7.782954021583223 0.000000000000000 c 0.000000000000000 0.000000000000000 10.324650940000000 Atomic positions (fractional): *1 Lu 0.22590319324717 0.26819353525054 0.70270332020219 174.967 > 1 2 Lu 0.26819353525054 0.04229034200337 0.29729667979781 174.967 > 2 3 Lu 0.95770965799663 0.22590319324717 0.29729667979781 174.967 > 3 4 Lu 0.04229034200337 0.77409680675283 0.70270332020219 174.967 > 4 5 Lu 0.73180646474946 0.95770965799663 0.70270332020219 174.967 > 5 6 Lu 0.77409680675283 0.73180646474946 0.29729667979781 174.967 > 6 7 Lu 0.89256985991383 0.60152686858387 0.03603665353553 174.967 > 1 8 Lu 0.93486020191720 0.37562367533670 0.63063001313114 174.967 > 2 9 Lu 0.62437632466330 0.55923652658050 0.63063001313114 174.967 > 3 10 Lu 0.70895700867004 0.10743014008617 0.03603665353553 174.967 > 4 11 Lu 0.39847313141613 0.29104299132996 0.03603665353553 174.967 > 5 12 Lu 0.44076347341950 0.06513979808280 0.63063001313114 174.967 > 6 13 Lu 0.55923652658050 0.93486020191720 0.36936998686886 174.967 > 1 14 Lu 0.60152686858387 0.70895700867004 0.96396334646447 174.967 > 2 15 Lu 0.29104299132996 0.89256985991383 0.96396334646447 174.967 > 3 16 Lu 0.37562367533670 0.44076347341950 0.36936998686886 174.967 > 4 17 Lu 0.06513979808280 0.62437632466330 0.36936998686886 174.967 > 5 18 Lu 0.10743014008617 0.39847313141613 0.96396334646447 174.967 > 6 *19 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 7 *20 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 8 21 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 7 22 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 8 23 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 7 24 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 8 *25 O 0.36088345542595 0.49460309364307 0.56917002115093 15.999 > 9 26 O 0.49460309364307 0.13371963821713 0.43082997884907 15.999 > 10 *27 O 0.15537140255717 0.18305911603352 0.38764470962550 15.999 > 11 28 O 0.86628036178287 0.36088345542595 0.43082997884907 15.999 > 12 29 O 0.18305911603352 0.02768771347635 0.61235529037450 15.999 > 13 30 O 0.97231228652365 0.15537140255717 0.61235529037450 15.999 > 14 31 O 0.02768771347635 0.84462859744283 0.38764470962550 15.999 > 15 32 O 0.81694088396648 0.97231228652365 0.38764470962550 15.999 > 16 33 O 0.13371963821713 0.63911654457405 0.56917002115093 15.999 > 17 34 O 0.84462859744283 0.81694088396648 0.61235529037450 15.999 > 18 35 O 0.50539690635693 0.86628036178287 0.56917002115093 15.999 > 19 36 O 0.63911654457405 0.50539690635693 0.43082997884907 15.999 > 20 37 O 0.02755012209261 0.82793642697641 0.90250335448426 15.999 > 9 38 O 0.16126976030974 0.46705297155046 0.76416331218240 15.999 > 10 39 O 0.82203806922384 0.51639244936686 0.72097804295884 15.999 > 11 40 O 0.53294702844954 0.69421678875928 0.76416331218240 15.999 > 12 41 O 0.84972578270019 0.36102104680968 0.94568862370783 15.999 > 13 42 O 0.63897895319032 0.48870473589051 0.94568862370783 15.999 > 14 43 O 0.69435438014301 0.17796193077616 0.72097804295884 15.999 > 15 44 O 0.48360755063314 0.30564561985699 0.72097804295884 15.999 > 16 45 O 0.80038630488379 0.97244987790739 0.90250335448426 15.999 > 17 46 O 0.51129526410949 0.15027421729981 0.94568862370783 15.999 > 18 47 O 0.17206357302359 0.19961369511621 0.90250335448426 15.999 > 19 48 O 0.30578321124072 0.83873023969026 0.76416331218240 15.999 > 20 49 O 0.69421678875928 0.16126976030974 0.23583668781760 15.999 > 9 50 O 0.82793642697641 0.80038630488379 0.09749664551574 15.999 > 10 51 O 0.48870473589051 0.84972578270019 0.05431137629217 15.999 > 11 52 O 0.19961369511621 0.02755012209261 0.09749664551574 15.999 > 12 53 O 0.51639244936686 0.69435438014301 0.27902195704116 15.999 > 13 54 O 0.30564561985699 0.82203806922384 0.27902195704116 15.999 > 14 55 O 0.36102104680968 0.51129526410949 0.05431137629217 15.999 > 15 56 O 0.15027421729981 0.63897895319032 0.05431137629217 15.999 > 16 57 O 0.46705297155046 0.30578321124072 0.23583668781760 15.999 > 17 58 O 0.17796193077616 0.48360755063314 0.27902195704116 15.999 > 18 59 O 0.83873023969026 0.53294702844954 0.23583668781760 15.999 > 19 60 O 0.97244987790739 0.17206357302359 0.09749664551574 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.986981198903109 0.000000000000000 0.000000000000000 b -4.493490599451555 7.782954021583223 0.000000000000000 c 0.000000000000000 0.000000000000000 10.324650940000000 Atomic positions (fractional): *1 Lu 0.22590319324717 0.26819353525054 0.70270332020219 174.967 > 1 2 Lu 0.26819353525054 0.04229034200337 0.29729667979781 174.967 > 2 3 Lu 0.95770965799663 0.22590319324717 0.29729667979781 174.967 > 3 4 Lu 0.04229034200337 0.77409680675283 0.70270332020219 174.967 > 4 5 Lu 0.73180646474946 0.95770965799663 0.70270332020219 174.967 > 5 6 Lu 0.77409680675283 0.73180646474946 0.29729667979781 174.967 > 6 7 Lu 0.89256985991383 0.60152686858387 0.03603665353553 174.967 > 1 8 Lu 0.93486020191720 0.37562367533670 0.63063001313114 174.967 > 2 9 Lu 0.62437632466330 0.55923652658050 0.63063001313114 174.967 > 3 10 Lu 0.70895700867004 0.10743014008617 0.03603665353553 174.967 > 4 11 Lu 0.39847313141613 0.29104299132996 0.03603665353553 174.967 > 5 12 Lu 0.44076347341950 0.06513979808280 0.63063001313114 174.967 > 6 13 Lu 0.55923652658050 0.93486020191720 0.36936998686886 174.967 > 1 14 Lu 0.60152686858387 0.70895700867004 0.96396334646447 174.967 > 2 15 Lu 0.29104299132996 0.89256985991383 0.96396334646447 174.967 > 3 16 Lu 0.37562367533670 0.44076347341950 0.36936998686886 174.967 > 4 17 Lu 0.06513979808280 0.62437632466330 0.36936998686886 174.967 > 5 18 Lu 0.10743014008617 0.39847313141613 0.96396334646447 174.967 > 6 *19 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 7 *20 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 8 21 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 7 22 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 8 23 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 7 24 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 8 *25 O 0.36088345542595 0.49460309364307 0.56917002115093 15.999 > 9 26 O 0.49460309364307 0.13371963821713 0.43082997884907 15.999 > 10 *27 O 0.15537140255717 0.18305911603352 0.38764470962550 15.999 > 11 28 O 0.86628036178287 0.36088345542595 0.43082997884907 15.999 > 12 29 O 0.18305911603352 0.02768771347635 0.61235529037450 15.999 > 13 30 O 0.97231228652365 0.15537140255717 0.61235529037450 15.999 > 14 31 O 0.02768771347635 0.84462859744283 0.38764470962550 15.999 > 15 32 O 0.81694088396648 0.97231228652365 0.38764470962550 15.999 > 16 33 O 0.13371963821713 0.63911654457405 0.56917002115093 15.999 > 17 34 O 0.84462859744283 0.81694088396648 0.61235529037450 15.999 > 18 35 O 0.50539690635693 0.86628036178287 0.56917002115093 15.999 > 19 36 O 0.63911654457405 0.50539690635693 0.43082997884907 15.999 > 20 37 O 0.02755012209261 0.82793642697641 0.90250335448426 15.999 > 9 38 O 0.16126976030974 0.46705297155046 0.76416331218240 15.999 > 10 39 O 0.82203806922384 0.51639244936686 0.72097804295884 15.999 > 11 40 O 0.53294702844954 0.69421678875928 0.76416331218240 15.999 > 12 41 O 0.84972578270019 0.36102104680968 0.94568862370783 15.999 > 13 42 O 0.63897895319032 0.48870473589051 0.94568862370783 15.999 > 14 43 O 0.69435438014301 0.17796193077616 0.72097804295884 15.999 > 15 44 O 0.48360755063314 0.30564561985699 0.72097804295884 15.999 > 16 45 O 0.80038630488379 0.97244987790739 0.90250335448426 15.999 > 17 46 O 0.51129526410949 0.15027421729981 0.94568862370783 15.999 > 18 47 O 0.17206357302359 0.19961369511621 0.90250335448426 15.999 > 19 48 O 0.30578321124072 0.83873023969026 0.76416331218240 15.999 > 20 49 O 0.69421678875928 0.16126976030974 0.23583668781760 15.999 > 9 50 O 0.82793642697641 0.80038630488379 0.09749664551574 15.999 > 10 51 O 0.48870473589051 0.84972578270019 0.05431137629217 15.999 > 11 52 O 0.19961369511621 0.02755012209261 0.09749664551574 15.999 > 12 53 O 0.51639244936686 0.69435438014301 0.27902195704116 15.999 > 13 54 O 0.30564561985699 0.82203806922384 0.27902195704116 15.999 > 14 55 O 0.36102104680968 0.51129526410949 0.05431137629217 15.999 > 15 56 O 0.15027421729981 0.63897895319032 0.05431137629217 15.999 > 16 57 O 0.46705297155046 0.30578321124072 0.23583668781760 15.999 > 17 58 O 0.17796193077616 0.48360755063314 0.27902195704116 15.999 > 18 59 O 0.83873023969026 0.53294702844954 0.23583668781760 15.999 > 19 60 O 0.97244987790739 0.17206357302359 0.09749664551574 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8608759 -0.0000012 0.0000000 0.0000012 3.8608759 0.0000000 0.0000000 0.0000000 3.7995507 -------------------------- Born effective charges -------------------------- 1 Lu 3.7935574 -0.1106062 -0.0583355 -0.0926049 3.3718842 0.0968144 -0.0918421 -0.1415538 3.4071788 2 Lu 3.3893095 -0.1407877 -0.0546760 -0.1227864 3.7761321 -0.0989272 0.1685103 -0.0087607 3.4071788 3 Lu 3.5652955 0.2243920 0.1130115 0.2423933 3.6001461 0.0021128 -0.0766681 0.1503145 3.4071788 4 Lu 3.5652955 0.2243920 0.1130115 0.2423933 3.6001461 0.0021128 -0.0766681 0.1503145 3.4071788 5 Lu 3.3893095 -0.1407877 -0.0546760 -0.1227864 3.7761321 -0.0989272 0.1685103 -0.0087607 3.4071788 6 Lu 3.7935574 -0.1106062 -0.0583355 -0.0926049 3.3718842 0.0968144 -0.0918421 -0.1415538 3.4071788 7 Al 3.3666263 -0.0958715 -0.0000000 0.0958715 3.3666263 0.0000000 -0.0000000 -0.0000000 2.6201423 8 Al 2.8367007 0.0383193 -0.0000000 -0.0383193 2.8367007 0.0000000 -0.0000000 -0.0000000 3.3101691 9 O -2.1534341 -0.0489121 0.1807922 -0.1082991 -1.9858227 -0.1088926 0.2054316 -0.0367953 -2.6190185 10 O -2.0958000 0.1415741 0.0039076 0.0821872 -2.0434569 0.2110170 -0.0708502 0.1963066 -2.6190185 11 O -2.5368560 -0.0347294 0.0586682 -0.0125278 -2.5571044 0.1228108 0.1193767 0.1691862 -1.7765456 12 O -1.9596511 -0.0035816 -0.1846999 -0.0629686 -2.1796057 -0.1021244 -0.1345814 -0.1595114 -2.6190185 13 O -2.5725053 -0.0080543 -0.1356914 0.0141473 -2.5214551 -0.0105973 -0.2062079 0.0187901 -1.7765456 14 O -2.5315794 0.0094813 0.0770232 0.0316829 -2.5623811 -0.1122136 0.0868312 -0.1879763 -1.7765456 15 O -2.5315794 0.0094813 0.0770232 0.0316829 -2.5623811 -0.1122136 0.0868312 -0.1879763 -1.7765456 16 O -2.5725053 -0.0080543 -0.1356914 0.0141473 -2.5214551 -0.0105973 -0.2062079 0.0187901 -1.7765456 17 O -1.9596511 -0.0035816 -0.1846999 -0.0629686 -2.1796057 -0.1021244 -0.1345814 -0.1595114 -2.6190185 18 O -2.5368560 -0.0347294 0.0586682 -0.0125278 -2.5571044 0.1228108 0.1193767 0.1691862 -1.7765456 19 O -2.0958000 0.1415741 0.0039076 0.0821872 -2.0434569 0.2110170 -0.0708502 0.1963066 -2.6190185 20 O -2.1534341 -0.0489121 0.1807922 -0.1082991 -1.9858227 -0.1088926 0.2054316 -0.0367953 -2.6190185 ---------------------------------------------------------------------------- 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: 180/180 Permutation basis: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 923 Number of blocks in projector: 432 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 111 Use standard eigh solver. Tree of FC basis block matrices: - (923, 891), data: False |-- (111, 106), data: True |-- (396, 384), data: True |-- (416, 401), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 0.521 Solver_block: 200 / 400 - Time: 0.527 Solver_block: 300 / 400 - Time: 0.529 Solver_block: 400 / 400 - Time: 0.528 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.123 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 180/180 Permutation basis: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 923 Number of blocks in projector: 432 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 111 Use standard eigh solver. Tree of FC basis block matrices: - (923, 891), data: False |-- (111, 106), data: True |-- (396, 384), data: True |-- (416, 401), 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 2026-01-09 00:01:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:01:00]------------------------- 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.493490599451558 2.594318007194405 3.441550313333329 b -4.493490599451550 2.594318007194405 3.441550313333329 c 0.000000000000000 -5.188636014388810 3.441550313333329 Atomic positions (fractional): 1 Lu 0.92860651344936 0.74499366220556 0.43450978495166 174.967 2 Lu 0.56549021504834 0.07139348655064 0.25500633779444 174.967 3 Lu 0.25500633779444 0.56549021504834 0.07139348655064 174.967 4 Lu 0.74499366220556 0.43450978495166 0.92860651344936 174.967 5 Lu 0.43450978495166 0.92860651344936 0.74499366220556 174.967 6 Lu 0.07139348655064 0.25500633779444 0.56549021504834 174.967 7 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 9 O 0.93005347657688 0.70288965936806 0.07456692750786 15.999 10 O 0.92543307249214 0.06994652342312 0.29711034063194 15.999 11 O 0.54301611218268 0.41533242310185 0.20458559359198 15.999 12 O 0.29711034063194 0.92543307249215 0.06994652342312 15.999 13 O 0.79541440640802 0.45698388781732 0.58466757689815 15.999 14 O 0.58466757689815 0.79541440640802 0.45698388781732 15.999 15 O 0.41533242310185 0.20458559359198 0.54301611218268 15.999 16 O 0.20458559359198 0.54301611218268 0.41533242310185 15.999 17 O 0.70288965936806 0.07456692750786 0.93005347657688 15.999 18 O 0.45698388781732 0.58466757689815 0.79541440640802 15.999 19 O 0.07456692750786 0.93005347657688 0.70288965936806 15.999 20 O 0.06994652342312 0.29711034063194 0.92543307249214 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.986981198903109 0.000000000000000 0.000000000000000 b -4.493490599451555 7.782954021583223 0.000000000000000 c 0.000000000000000 0.000000000000000 10.324650940000000 Atomic positions (fractional): 1 Lu 0.22590319324717 0.26819353525054 0.70270332020219 174.967 > 1 2 Lu 0.26819353525054 0.04229034200337 0.29729667979781 174.967 > 2 3 Lu 0.95770965799663 0.22590319324717 0.29729667979781 174.967 > 3 4 Lu 0.04229034200337 0.77409680675283 0.70270332020219 174.967 > 4 5 Lu 0.73180646474946 0.95770965799663 0.70270332020219 174.967 > 5 6 Lu 0.77409680675283 0.73180646474946 0.29729667979781 174.967 > 6 7 Lu 0.89256985991383 0.60152686858387 0.03603665353553 174.967 > 1 8 Lu 0.93486020191720 0.37562367533670 0.63063001313114 174.967 > 2 9 Lu 0.62437632466330 0.55923652658050 0.63063001313114 174.967 > 3 10 Lu 0.70895700867004 0.10743014008617 0.03603665353553 174.967 > 4 11 Lu 0.39847313141613 0.29104299132996 0.03603665353553 174.967 > 5 12 Lu 0.44076347341950 0.06513979808280 0.63063001313114 174.967 > 6 13 Lu 0.55923652658050 0.93486020191720 0.36936998686886 174.967 > 1 14 Lu 0.60152686858387 0.70895700867004 0.96396334646447 174.967 > 2 15 Lu 0.29104299132996 0.89256985991383 0.96396334646447 174.967 > 3 16 Lu 0.37562367533670 0.44076347341950 0.36936998686886 174.967 > 4 17 Lu 0.06513979808280 0.62437632466330 0.36936998686886 174.967 > 5 18 Lu 0.10743014008617 0.39847313141613 0.96396334646447 174.967 > 6 19 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 19 20 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 20 21 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 19 22 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 20 23 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 19 24 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 20 25 O 0.36088345542595 0.49460309364307 0.56917002115093 15.999 > 25 26 O 0.49460309364307 0.13371963821713 0.43082997884907 15.999 > 26 27 O 0.15537140255717 0.18305911603352 0.38764470962550 15.999 > 27 28 O 0.86628036178287 0.36088345542595 0.43082997884907 15.999 > 28 29 O 0.18305911603352 0.02768771347635 0.61235529037450 15.999 > 29 30 O 0.97231228652365 0.15537140255717 0.61235529037450 15.999 > 30 31 O 0.02768771347635 0.84462859744283 0.38764470962550 15.999 > 31 32 O 0.81694088396648 0.97231228652365 0.38764470962550 15.999 > 32 33 O 0.13371963821713 0.63911654457405 0.56917002115093 15.999 > 33 34 O 0.84462859744283 0.81694088396648 0.61235529037450 15.999 > 34 35 O 0.50539690635693 0.86628036178287 0.56917002115093 15.999 > 35 36 O 0.63911654457405 0.50539690635693 0.43082997884907 15.999 > 36 37 O 0.02755012209261 0.82793642697641 0.90250335448426 15.999 > 25 38 O 0.16126976030974 0.46705297155046 0.76416331218240 15.999 > 26 39 O 0.82203806922384 0.51639244936686 0.72097804295884 15.999 > 27 40 O 0.53294702844954 0.69421678875928 0.76416331218240 15.999 > 28 41 O 0.84972578270019 0.36102104680968 0.94568862370783 15.999 > 29 42 O 0.63897895319032 0.48870473589051 0.94568862370783 15.999 > 30 43 O 0.69435438014301 0.17796193077616 0.72097804295884 15.999 > 31 44 O 0.48360755063314 0.30564561985699 0.72097804295884 15.999 > 32 45 O 0.80038630488379 0.97244987790739 0.90250335448426 15.999 > 33 46 O 0.51129526410949 0.15027421729981 0.94568862370783 15.999 > 34 47 O 0.17206357302359 0.19961369511621 0.90250335448426 15.999 > 35 48 O 0.30578321124072 0.83873023969026 0.76416331218240 15.999 > 36 49 O 0.69421678875928 0.16126976030974 0.23583668781760 15.999 > 25 50 O 0.82793642697641 0.80038630488379 0.09749664551574 15.999 > 26 51 O 0.48870473589051 0.84972578270019 0.05431137629217 15.999 > 27 52 O 0.19961369511621 0.02755012209261 0.09749664551574 15.999 > 28 53 O 0.51639244936686 0.69435438014301 0.27902195704116 15.999 > 29 54 O 0.30564561985699 0.82203806922384 0.27902195704116 15.999 > 30 55 O 0.36102104680968 0.51129526410949 0.05431137629217 15.999 > 31 56 O 0.15027421729981 0.63897895319032 0.05431137629217 15.999 > 32 57 O 0.46705297155046 0.30578321124072 0.23583668781760 15.999 > 33 58 O 0.17796193077616 0.48360755063314 0.27902195704116 15.999 > 34 59 O 0.83873023969026 0.53294702844954 0.23583668781760 15.999 > 35 60 O 0.97244987790739 0.17206357302359 0.09749664551574 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8608759 -0.0000012 0.0000000 0.0000012 3.8608759 0.0000000 0.0000000 0.0000000 3.7995507 -------------------------- Born effective charges -------------------------- 1 Lu 3.7935574 -0.1106062 -0.0583355 -0.0926049 3.3718842 0.0968144 -0.0918421 -0.1415538 3.4071788 2 Lu 3.3893095 -0.1407877 -0.0546760 -0.1227864 3.7761321 -0.0989272 0.1685103 -0.0087607 3.4071788 3 Lu 3.5652955 0.2243920 0.1130115 0.2423933 3.6001461 0.0021128 -0.0766681 0.1503145 3.4071788 4 Lu 3.5652955 0.2243920 0.1130115 0.2423933 3.6001461 0.0021128 -0.0766681 0.1503145 3.4071788 5 Lu 3.3893095 -0.1407877 -0.0546760 -0.1227864 3.7761321 -0.0989272 0.1685103 -0.0087607 3.4071788 6 Lu 3.7935574 -0.1106062 -0.0583355 -0.0926049 3.3718842 0.0968144 -0.0918421 -0.1415538 3.4071788 7 Al 3.3666263 -0.0958715 -0.0000000 0.0958715 3.3666263 0.0000000 -0.0000000 -0.0000000 2.6201423 8 Al 2.8367007 0.0383193 -0.0000000 -0.0383193 2.8367007 0.0000000 -0.0000000 -0.0000000 3.3101691 9 O -2.1534341 -0.0489121 0.1807922 -0.1082991 -1.9858227 -0.1088926 0.2054316 -0.0367953 -2.6190185 10 O -2.0958000 0.1415741 0.0039076 0.0821872 -2.0434569 0.2110170 -0.0708502 0.1963066 -2.6190185 11 O -2.5368560 -0.0347294 0.0586682 -0.0125278 -2.5571044 0.1228108 0.1193767 0.1691862 -1.7765456 12 O -1.9596511 -0.0035816 -0.1846999 -0.0629686 -2.1796057 -0.1021244 -0.1345814 -0.1595114 -2.6190185 13 O -2.5725053 -0.0080543 -0.1356914 0.0141473 -2.5214551 -0.0105973 -0.2062079 0.0187901 -1.7765456 14 O -2.5315794 0.0094813 0.0770232 0.0316829 -2.5623811 -0.1122136 0.0868312 -0.1879763 -1.7765456 15 O -2.5315794 0.0094813 0.0770232 0.0316829 -2.5623811 -0.1122136 0.0868312 -0.1879763 -1.7765456 16 O -2.5725053 -0.0080543 -0.1356914 0.0141473 -2.5214551 -0.0105973 -0.2062079 0.0187901 -1.7765456 17 O -1.9596511 -0.0035816 -0.1846999 -0.0629686 -2.1796057 -0.1021244 -0.1345814 -0.1595114 -2.6190185 18 O -2.5368560 -0.0347294 0.0586682 -0.0125278 -2.5571044 0.1228108 0.1193767 0.1691862 -1.7765456 19 O -2.0958000 0.1415741 0.0039076 0.0821872 -2.0434569 0.2110170 -0.0708502 0.1963066 -2.6190185 20 O -2.1534341 -0.0489121 0.1807922 -0.1082991 -1.9858227 -0.1088926 0.2054316 -0.0367953 -2.6190185 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 20, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-09 00:01:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:01:08]------------------------- 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.493490599451558 2.594318007194405 3.441550313333329 b -4.493490599451550 2.594318007194405 3.441550313333329 c 0.000000000000000 -5.188636014388810 3.441550313333329 Atomic positions (fractional): 1 Lu 0.92860651344936 0.74499366220556 0.43450978495166 174.967 2 Lu 0.56549021504834 0.07139348655064 0.25500633779444 174.967 3 Lu 0.25500633779444 0.56549021504834 0.07139348655064 174.967 4 Lu 0.74499366220556 0.43450978495166 0.92860651344936 174.967 5 Lu 0.43450978495166 0.92860651344936 0.74499366220556 174.967 6 Lu 0.07139348655064 0.25500633779444 0.56549021504834 174.967 7 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 9 O 0.93005347657688 0.70288965936806 0.07456692750786 15.999 10 O 0.92543307249214 0.06994652342312 0.29711034063194 15.999 11 O 0.54301611218268 0.41533242310185 0.20458559359198 15.999 12 O 0.29711034063194 0.92543307249215 0.06994652342312 15.999 13 O 0.79541440640802 0.45698388781732 0.58466757689815 15.999 14 O 0.58466757689815 0.79541440640802 0.45698388781732 15.999 15 O 0.41533242310185 0.20458559359198 0.54301611218268 15.999 16 O 0.20458559359198 0.54301611218268 0.41533242310185 15.999 17 O 0.70288965936806 0.07456692750786 0.93005347657688 15.999 18 O 0.45698388781732 0.58466757689815 0.79541440640802 15.999 19 O 0.07456692750786 0.93005347657688 0.70288965936806 15.999 20 O 0.06994652342312 0.29711034063194 0.92543307249214 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.986981198903109 0.000000000000000 0.000000000000000 b -4.493490599451555 7.782954021583223 0.000000000000000 c 0.000000000000000 0.000000000000000 10.324650940000000 Atomic positions (fractional): 1 Lu 0.22590319324717 0.26819353525054 0.70270332020219 174.967 > 1 2 Lu 0.26819353525054 0.04229034200337 0.29729667979781 174.967 > 2 3 Lu 0.95770965799663 0.22590319324717 0.29729667979781 174.967 > 3 4 Lu 0.04229034200337 0.77409680675283 0.70270332020219 174.967 > 4 5 Lu 0.73180646474946 0.95770965799663 0.70270332020219 174.967 > 5 6 Lu 0.77409680675283 0.73180646474946 0.29729667979781 174.967 > 6 7 Lu 0.89256985991383 0.60152686858387 0.03603665353553 174.967 > 1 8 Lu 0.93486020191720 0.37562367533670 0.63063001313114 174.967 > 2 9 Lu 0.62437632466330 0.55923652658050 0.63063001313114 174.967 > 3 10 Lu 0.70895700867004 0.10743014008617 0.03603665353553 174.967 > 4 11 Lu 0.39847313141613 0.29104299132996 0.03603665353553 174.967 > 5 12 Lu 0.44076347341950 0.06513979808280 0.63063001313114 174.967 > 6 13 Lu 0.55923652658050 0.93486020191720 0.36936998686886 174.967 > 1 14 Lu 0.60152686858387 0.70895700867004 0.96396334646447 174.967 > 2 15 Lu 0.29104299132996 0.89256985991383 0.96396334646447 174.967 > 3 16 Lu 0.37562367533670 0.44076347341950 0.36936998686886 174.967 > 4 17 Lu 0.06513979808280 0.62437632466330 0.36936998686886 174.967 > 5 18 Lu 0.10743014008617 0.39847313141613 0.96396334646447 174.967 > 6 19 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 19 20 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 20 21 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 19 22 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 20 23 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 19 24 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 20 25 O 0.36088345542595 0.49460309364307 0.56917002115093 15.999 > 25 26 O 0.49460309364307 0.13371963821713 0.43082997884907 15.999 > 26 27 O 0.15537140255717 0.18305911603352 0.38764470962550 15.999 > 27 28 O 0.86628036178287 0.36088345542595 0.43082997884907 15.999 > 28 29 O 0.18305911603352 0.02768771347635 0.61235529037450 15.999 > 29 30 O 0.97231228652365 0.15537140255717 0.61235529037450 15.999 > 30 31 O 0.02768771347635 0.84462859744283 0.38764470962550 15.999 > 31 32 O 0.81694088396648 0.97231228652365 0.38764470962550 15.999 > 32 33 O 0.13371963821713 0.63911654457405 0.56917002115093 15.999 > 33 34 O 0.84462859744283 0.81694088396648 0.61235529037450 15.999 > 34 35 O 0.50539690635693 0.86628036178287 0.56917002115093 15.999 > 35 36 O 0.63911654457405 0.50539690635693 0.43082997884907 15.999 > 36 37 O 0.02755012209261 0.82793642697641 0.90250335448426 15.999 > 25 38 O 0.16126976030974 0.46705297155046 0.76416331218240 15.999 > 26 39 O 0.82203806922384 0.51639244936686 0.72097804295884 15.999 > 27 40 O 0.53294702844954 0.69421678875928 0.76416331218240 15.999 > 28 41 O 0.84972578270019 0.36102104680968 0.94568862370783 15.999 > 29 42 O 0.63897895319032 0.48870473589051 0.94568862370783 15.999 > 30 43 O 0.69435438014301 0.17796193077616 0.72097804295884 15.999 > 31 44 O 0.48360755063314 0.30564561985699 0.72097804295884 15.999 > 32 45 O 0.80038630488379 0.97244987790739 0.90250335448426 15.999 > 33 46 O 0.51129526410949 0.15027421729981 0.94568862370783 15.999 > 34 47 O 0.17206357302359 0.19961369511621 0.90250335448426 15.999 > 35 48 O 0.30578321124072 0.83873023969026 0.76416331218240 15.999 > 36 49 O 0.69421678875928 0.16126976030974 0.23583668781760 15.999 > 25 50 O 0.82793642697641 0.80038630488379 0.09749664551574 15.999 > 26 51 O 0.48870473589051 0.84972578270019 0.05431137629217 15.999 > 27 52 O 0.19961369511621 0.02755012209261 0.09749664551574 15.999 > 28 53 O 0.51639244936686 0.69435438014301 0.27902195704116 15.999 > 29 54 O 0.30564561985699 0.82203806922384 0.27902195704116 15.999 > 30 55 O 0.36102104680968 0.51129526410949 0.05431137629217 15.999 > 31 56 O 0.15027421729981 0.63897895319032 0.05431137629217 15.999 > 32 57 O 0.46705297155046 0.30578321124072 0.23583668781760 15.999 > 33 58 O 0.17796193077616 0.48360755063314 0.27902195704116 15.999 > 34 59 O 0.83873023969026 0.53294702844954 0.23583668781760 15.999 > 35 60 O 0.97244987790739 0.17206357302359 0.09749664551574 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8608759 -0.0000012 0.0000000 0.0000012 3.8608759 0.0000000 0.0000000 0.0000000 3.7995507 -------------------------- Born effective charges -------------------------- 1 Lu 3.7935574 -0.1106062 -0.0583355 -0.0926049 3.3718842 0.0968144 -0.0918421 -0.1415538 3.4071788 2 Lu 3.3893095 -0.1407877 -0.0546760 -0.1227864 3.7761321 -0.0989272 0.1685103 -0.0087607 3.4071788 3 Lu 3.5652955 0.2243920 0.1130115 0.2423933 3.6001461 0.0021128 -0.0766681 0.1503145 3.4071788 4 Lu 3.5652955 0.2243920 0.1130115 0.2423933 3.6001461 0.0021128 -0.0766681 0.1503145 3.4071788 5 Lu 3.3893095 -0.1407877 -0.0546760 -0.1227864 3.7761321 -0.0989272 0.1685103 -0.0087607 3.4071788 6 Lu 3.7935574 -0.1106062 -0.0583355 -0.0926049 3.3718842 0.0968144 -0.0918421 -0.1415538 3.4071788 7 Al 3.3666263 -0.0958715 -0.0000000 0.0958715 3.3666263 0.0000000 -0.0000000 -0.0000000 2.6201423 8 Al 2.8367007 0.0383193 -0.0000000 -0.0383193 2.8367007 0.0000000 -0.0000000 -0.0000000 3.3101691 9 O -2.1534341 -0.0489121 0.1807922 -0.1082991 -1.9858227 -0.1088926 0.2054316 -0.0367953 -2.6190185 10 O -2.0958000 0.1415741 0.0039076 0.0821872 -2.0434569 0.2110170 -0.0708502 0.1963066 -2.6190185 11 O -2.5368560 -0.0347294 0.0586682 -0.0125278 -2.5571044 0.1228108 0.1193767 0.1691862 -1.7765456 12 O -1.9596511 -0.0035816 -0.1846999 -0.0629686 -2.1796057 -0.1021244 -0.1345814 -0.1595114 -2.6190185 13 O -2.5725053 -0.0080543 -0.1356914 0.0141473 -2.5214551 -0.0105973 -0.2062079 0.0187901 -1.7765456 14 O -2.5315794 0.0094813 0.0770232 0.0316829 -2.5623811 -0.1122136 0.0868312 -0.1879763 -1.7765456 15 O -2.5315794 0.0094813 0.0770232 0.0316829 -2.5623811 -0.1122136 0.0868312 -0.1879763 -1.7765456 16 O -2.5725053 -0.0080543 -0.1356914 0.0141473 -2.5214551 -0.0105973 -0.2062079 0.0187901 -1.7765456 17 O -1.9596511 -0.0035816 -0.1846999 -0.0629686 -2.1796057 -0.1021244 -0.1345814 -0.1595114 -2.6190185 18 O -2.5368560 -0.0347294 0.0586682 -0.0125278 -2.5571044 0.1228108 0.1193767 0.1691862 -1.7765456 19 O -2.0958000 0.1415741 0.0039076 0.0821872 -2.0434569 0.2110170 -0.0708502 0.1963066 -2.6190185 20 O -2.1534341 -0.0489121 0.1807922 -0.1082991 -1.9858227 -0.1088926 0.2054316 -0.0367953 -2.6190185 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 ... [ 8 8 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: 0.67, Number of G-points: 287, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 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 2.837 ( 0.000 0.000 0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.426 ( 0.000 0.000 0.000) 0.000 8.426 ( 0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 10.747 ( 0.000 0.000 0.000) 0.000 10.747 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.054 ( 0.000 0.000 0.000) 0.000 12.054 ( 0.000 0.000 0.000) 0.000 12.565 ( 0.000 0.000 0.000) 0.000 12.565 ( 0.000 0.000 0.000) 0.000 12.677 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 12.751 ( 0.000 0.000 0.000) 0.000 12.751 ( 0.000 0.000 0.000) 0.000 12.899 ( 0.000 0.000 0.000) 0.000 13.232 ( 0.000 0.000 0.000) 0.000 13.263 ( 0.000 0.000 0.000) 0.000 13.669 ( 0.000 0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 15.393 ( 0.000 0.000 0.000) 0.000 15.711 ( 0.000 0.000 0.000) 0.000 15.711 ( 0.000 0.000 0.000) 0.000 16.617 ( 0.000 0.000 0.000) 0.000 16.617 ( 0.000 0.000 0.000) 0.000 17.904 ( 0.000 0.000 0.000) 0.000 17.904 ( 0.000 0.000 0.000) 0.000 18.299 ( 0.000 0.000 0.000) 0.000 18.908 ( 0.000 0.000 0.000) 0.000 18.908 ( 0.000 0.000 0.000) 0.000 19.185 ( 0.000 0.000 0.000) 0.000 19.729 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 22.742 9.184 15.385) 28.952 0.648 ( 28.379 3.505 18.030) 33.804 1.102 ( 36.823 30.743 26.747) 54.923 2.800 ( -3.508 -0.901 -1.386) 3.878 2.889 ( 1.561 -0.524 6.440) 6.647 3.141 ( -1.279 -0.813 0.229) 1.533 3.529 ( 2.377 1.825 -0.893) 3.127 3.824 ( -5.056 -3.017 -1.913) 6.191 3.913 ( 1.034 1.049 1.649) 2.211 4.002 ( -9.849 -5.277 -1.297) 11.249 4.465 ( 2.403 -4.724 -6.386) 8.299 4.507 ( -0.819 3.615 -6.491) 7.474 4.707 ( -3.120 -2.189 4.431) 5.844 4.716 ( -4.821 -0.071 -0.334) 4.833 5.069 ( 7.287 2.927 1.360) 7.970 5.569 ( -5.255 -2.355 -0.837) 5.819 6.175 ( -4.002 -1.909 -2.897) 5.296 6.213 ( -0.846 -0.964 -0.547) 1.394 8.389 ( -3.868 1.353 -1.480) 4.357 8.415 ( -1.773 -1.405 2.081) 3.074 8.449 ( -6.325 -4.666 9.344) 12.210 8.822 ( 5.492 -3.217 3.939) 7.485 8.849 ( 6.926 3.229 1.132) 7.725 9.368 ( -2.080 2.061 -1.111) 3.132 9.660 ( -0.862 1.568 -0.152) 1.796 9.830 ( -7.397 2.209 -10.400) 12.952 10.094 ( 7.865 3.199 -4.781) 9.744 10.129 ( -3.945 -9.096 -6.184) 11.685 10.245 ( 1.790 -0.778 -4.996) 5.364 10.866 ( 5.129 4.987 4.425) 8.412 10.969 ( 9.267 4.661 -14.046) 17.461 11.970 ( -7.604 -7.401 -1.197) 10.679 12.021 ( -3.963 -0.898 -1.158) 4.225 12.148 ( -14.549 -9.302 13.140) 21.699 12.468 ( -3.020 8.169 -13.675) 16.213 12.541 ( 2.153 -3.816 -5.431) 6.978 12.670 ( 5.510 -0.054 -4.914) 7.383 12.726 ( -5.529 -2.250 6.092) 8.529 12.894 ( 1.232 0.888 -2.390) 2.832 12.963 ( 13.834 6.228 1.417) 15.237 13.111 ( 1.374 2.337 -2.470) 3.668 13.250 ( 12.635 3.829 -16.212) 20.908 13.380 ( 0.095 1.660 8.681) 8.839 14.083 ( -13.113 -3.627 10.502) 17.187 14.322 ( -1.090 -0.937 5.347) 5.536 14.420 ( -1.503 6.202 9.234) 11.225 14.575 ( 12.722 -4.458 0.218) 13.482 15.256 ( -4.417 -4.080 -5.619) 8.230 15.686 ( -4.323 5.965 -3.302) 8.073 15.828 ( 10.766 -0.278 1.341) 10.853 16.527 ( -4.686 -3.339 -1.586) 5.969 16.621 ( -2.453 2.230 1.954) 3.848 17.862 ( -0.419 -2.343 -2.813) 3.685 17.984 ( 4.399 -0.187 7.469) 8.670 18.230 ( 13.593 10.200 -9.509) 19.474 18.727 ( -13.542 -9.464 5.397) 17.380 18.789 ( -6.992 -3.618 4.232) 8.938 19.243 ( 6.378 3.725 -4.201) 8.497 19.790 ( 5.389 2.823 0.788) 6.135 20.249 ( -2.621 2.083 -2.691) 4.295 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 21.131 8.820 14.587) 27.149 1.274 ( 25.862 4.955 16.992) 31.339 2.139 ( 34.075 26.373 23.329) 48.999 2.697 ( -4.934 -3.108 -3.683) 6.897 2.997 ( -0.418 0.502 8.576) 8.601 3.105 ( -2.345 -1.470 -0.724) 2.860 3.524 ( -0.635 -2.164 -3.874) 4.483 3.707 ( -5.088 1.310 -2.092) 5.655 3.781 ( -9.206 -4.888 -2.062) 10.625 3.986 ( 1.288 0.571 5.117) 5.307 4.350 ( -1.770 -2.960 -7.773) 8.504 4.402 ( -0.987 -5.066 -4.035) 6.552 4.622 ( -5.948 -0.681 -1.590) 6.195 4.764 ( 2.053 5.004 0.968) 5.495 5.197 ( 7.510 -1.184 0.188) 7.605 5.370 ( -14.582 -4.729 -4.565) 15.995 6.046 ( -5.174 -1.094 -4.128) 6.709 6.196 ( -0.022 -1.799 0.336) 1.830 8.330 ( -3.605 3.161 -1.879) 5.149 8.407 ( -1.938 -7.245 5.255) 9.157 8.445 ( -0.796 2.132 1.649) 2.810 8.933 ( 6.015 -5.076 5.556) 9.634 9.000 ( 8.693 2.597 0.167) 9.074 9.335 ( -3.593 0.284 0.085) 3.605 9.560 ( -11.591 5.872 -10.916) 16.971 9.658 ( -2.936 1.529 -1.022) 3.464 9.935 ( -3.139 -12.195 -3.274) 13.011 10.174 ( 2.804 4.693 -1.623) 5.702 10.223 ( 9.008 -1.197 -6.874) 11.394 10.904 ( -5.309 6.376 -3.694) 9.082 11.068 ( 12.001 -2.509 1.325) 12.332 11.743 ( -12.177 -8.625 2.114) 15.071 11.896 ( -8.238 -1.435 -2.461) 8.717 12.102 ( -9.082 -3.501 10.687) 14.455 12.341 ( -3.379 8.165 -10.110) 13.427 12.425 ( 4.723 -6.939 -13.124) 15.579 12.647 ( -1.254 -0.815 -0.772) 1.683 12.741 ( -0.982 3.899 2.133) 4.551 12.890 ( 2.952 -1.605 -1.215) 3.573 13.132 ( -1.026 -1.875 4.017) 4.550 13.210 ( 11.113 3.470 -1.746) 11.772 13.284 ( 7.730 -1.483 -1.394) 7.994 13.465 ( -2.131 1.978 5.156) 5.919 14.063 ( -0.954 2.882 2.867) 4.176 14.344 ( -2.938 -2.197 4.617) 5.897 14.529 ( -1.670 9.105 2.975) 9.723 14.777 ( 13.838 0.520 2.939) 14.156 15.105 ( 1.091 -9.600 -6.188) 11.474 15.599 ( -6.209 2.825 -4.843) 8.365 15.975 ( 9.424 -0.580 0.347) 9.449 16.437 ( -6.025 1.230 1.764) 6.398 16.628 ( -4.017 5.022 1.680) 6.647 17.806 ( 3.733 -3.710 -6.359) 8.254 18.180 ( 4.614 0.498 11.688) 12.576 18.383 ( 3.394 -1.193 2.745) 4.525 18.479 ( -8.886 -0.799 -1.301) 9.017 18.766 ( -2.133 -3.510 4.304) 5.949 19.273 ( 3.978 3.175 -8.303) 9.739 19.908 ( 6.490 2.140 0.606) 6.860 20.180 ( -6.317 2.886 -1.036) 7.022 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 18.479 8.405 13.242) 24.238 1.839 ( 20.072 6.044 14.722) 25.616 2.504 ( -6.982 -5.877 -8.968) 12.795 2.771 ( -0.009 -1.240 0.013) 1.240 3.093 ( -2.251 5.382 7.643) 9.615 3.209 ( 17.239 15.322 9.916) 25.105 3.405 ( -1.719 -8.076 -1.967) 8.488 3.617 ( -2.414 0.155 -1.838) 3.038 3.722 ( -0.413 3.152 3.098) 4.439 4.072 ( 0.688 0.914 4.485) 4.629 4.235 ( -2.730 1.033 -3.043) 4.217 4.311 ( 0.789 -5.792 -3.844) 6.996 4.513 ( -4.167 -3.230 -2.545) 5.854 4.755 ( -6.404 -3.846 -8.116) 11.030 5.086 ( -11.867 5.091 0.070) 12.914 5.230 ( 4.030 -8.658 -2.190) 9.798 5.956 ( -1.899 2.523 -2.548) 4.058 6.176 ( -0.888 -2.759 0.230) 2.908 8.306 ( -2.036 4.645 -0.802) 5.135 8.373 ( -0.758 -6.561 2.074) 6.923 8.495 ( 1.452 1.135 2.460) 3.074 9.010 ( 0.710 -3.410 3.121) 4.677 9.112 ( 5.513 1.846 -0.939) 5.889 9.207 ( -5.170 -5.456 -3.592) 8.331 9.464 ( 0.032 10.824 -3.254) 11.303 9.606 ( -4.426 0.186 -0.625) 4.473 9.763 ( -4.059 -8.815 -2.197) 9.950 10.214 ( 4.522 2.706 -3.193) 6.162 10.314 ( 8.943 0.408 -0.895) 8.997 10.786 ( -10.348 0.860 -1.942) 10.564 11.226 ( 12.207 -2.545 0.513) 12.480 11.575 ( -11.273 -3.231 2.714) 12.037 11.763 ( -5.069 1.516 -1.121) 5.409 12.055 ( -7.370 -0.648 2.993) 7.981 12.260 ( -2.000 -10.286 4.525) 11.413 12.308 ( 3.237 9.563 -15.510) 18.506 12.641 ( -0.164 0.840 0.879) 1.227 12.780 ( 0.158 2.434 0.476) 2.485 12.901 ( 1.560 -3.637 0.712) 4.021 13.099 ( 0.515 -2.813 -2.986) 4.134 13.330 ( 0.970 1.215 5.435) 5.653 13.375 ( 7.586 -3.368 -0.512) 8.316 13.482 ( -1.646 3.032 -0.940) 3.575 14.147 ( 4.214 3.011 1.735) 5.462 14.317 ( -3.718 -3.121 2.239) 5.346 14.610 ( -4.694 12.659 3.740) 14.010 14.969 ( 3.310 -18.997 2.666) 19.467 15.007 ( 10.162 11.334 -6.689) 16.627 15.459 ( -3.839 -4.260 -4.418) 7.239 16.099 ( 6.290 1.073 1.128) 6.479 16.415 ( -5.005 2.188 4.111) 6.836 16.628 ( -3.666 5.881 -0.135) 6.931 17.759 ( 5.438 -3.283 -6.637) 9.187 18.126 ( -11.824 -6.123 0.497) 13.324 18.490 ( 2.776 3.431 10.203) 11.117 18.598 ( 7.122 2.093 8.346) 11.169 18.764 ( 1.991 -4.073 0.208) 4.538 19.190 ( -1.579 2.334 -11.797) 12.129 20.003 ( 5.590 -0.612 0.044) 5.623 20.110 ( -6.549 3.782 0.190) 7.566 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.000 0.000 0.000) 0.000 2.078 ( -0.000 -0.000 -0.000) 0.000 2.312 ( -0.000 -0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 -0.000 -0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 -0.000 -0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.984 ( -0.000 -0.000 -0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.205 ( -0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 -0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 -0.000 0.000) 0.000 5.950 ( 0.000 -0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 8.315 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.985 ( 0.000 0.000 0.000) 0.000 9.143 ( 0.000 0.000 0.000) 0.000 9.158 ( 0.000 0.000 0.000) 0.000 9.529 ( -0.000 -0.000 0.000) 0.000 9.543 ( 0.000 0.000 -0.000) 0.000 9.669 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 10.665 ( 0.000 0.000 0.000) 0.000 11.362 ( -0.000 0.000 0.000) 0.000 11.437 ( 0.000 0.000 0.000) 0.000 11.747 ( 0.000 0.000 0.000) 0.000 12.002 ( 0.000 0.000 -0.000) 0.000 12.237 ( 0.000 0.000 0.000) 0.000 12.277 ( 0.000 0.000 0.000) 0.000 12.653 ( 0.000 0.000 -0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 12.898 ( 0.000 -0.000 0.000) 0.000 13.069 ( 0.000 0.000 -0.000) 0.000 13.380 ( 0.000 -0.000 -0.000) 0.000 13.420 ( 0.000 -0.000 0.000) 0.000 13.462 ( -0.000 0.000 -0.000) 0.000 14.232 ( 0.000 0.000 0.000) 0.000 14.261 ( -0.000 -0.000 0.000) 0.000 14.668 ( 0.000 0.000 0.000) 0.000 14.896 ( 0.000 0.000 0.000) 0.000 15.123 ( 0.000 0.000 0.000) 0.000 15.368 ( 0.000 -0.000 0.000) 0.000 16.161 ( 0.000 0.000 0.000) 0.000 16.416 ( 0.000 0.000 0.000) 0.000 16.623 ( 0.000 0.000 0.000) 0.000 17.747 ( 0.000 0.000 0.000) 0.000 18.004 ( 0.000 0.000 0.000) 0.000 18.578 ( 0.000 0.000 0.000) 0.000 18.755 ( 0.000 -0.000 -0.000) 0.000 18.794 ( -0.000 0.000 0.000) 0.000 19.053 ( 0.000 0.000 0.000) 0.000 20.051 ( -0.000 0.000 0.000) 0.000 20.070 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -1.281 15.745 21.578) 26.743 0.880 ( -8.581 12.920 27.021) 31.156 1.538 ( 5.322 36.949 36.106) 51.935 2.797 ( 0.065 -6.583 1.690) 6.797 2.982 ( -0.183 4.116 6.486) 7.684 3.150 ( -0.160 -0.650 0.897) 1.119 3.502 ( 0.209 -1.971 -1.384) 2.417 3.845 ( 0.886 -2.117 -1.651) 2.827 3.884 ( 0.225 -2.109 0.959) 2.328 3.988 ( 0.295 -9.513 -2.190) 9.767 4.320 ( -3.459 -2.914 -9.660) 10.666 4.454 ( 1.226 6.004 -8.829) 10.747 4.691 ( 3.070 -5.316 1.886) 6.423 4.802 ( -0.961 0.147 0.553) 1.118 5.043 ( -1.597 3.768 -0.514) 4.125 5.582 ( 0.996 -4.566 0.079) 4.674 6.143 ( 0.879 -3.488 -4.129) 5.476 6.173 ( -1.026 -2.434 -2.810) 3.856 8.328 ( 0.728 -7.252 -0.767) 7.329 8.450 ( 0.579 -1.727 2.681) 3.241 8.620 ( 2.882 -5.736 6.366) 9.040 8.822 ( -2.903 -0.414 3.769) 4.775 8.880 ( -7.474 6.332 2.395) 10.084 9.365 ( 5.062 3.871 -2.888) 6.996 9.653 ( 5.671 -1.623 -4.292) 7.295 9.697 ( 1.244 -0.361 -4.690) 4.866 9.974 ( -1.232 3.349 -6.487) 7.404 10.097 ( -7.308 0.040 -9.827) 12.246 10.177 ( -0.804 4.026 -7.833) 8.844 10.778 ( 3.591 0.257 1.384) 3.857 10.993 ( -1.813 13.576 -0.549) 13.708 11.928 ( -1.456 -11.290 -4.177) 12.126 11.981 ( -0.076 -5.473 -2.067) 5.850 12.246 ( -0.247 -14.310 3.062) 14.636 12.314 ( 6.088 -13.855 -0.085) 15.133 12.466 ( -4.586 5.207 -7.689) 10.357 12.605 ( 2.174 8.610 -9.646) 13.111 12.819 ( 1.617 -0.451 -2.127) 2.709 12.924 ( -1.419 -0.474 8.848) 8.973 12.986 ( -0.376 7.966 3.903) 8.878 13.085 ( -3.878 8.516 -7.545) 12.020 13.203 ( -0.056 4.644 11.345) 12.259 13.508 ( 0.979 2.311 9.038) 9.380 14.055 ( 1.397 -8.634 -8.843) 12.438 14.403 ( 6.315 -8.516 7.410) 12.935 14.452 ( -2.222 12.709 3.367) 13.334 14.586 ( -3.706 -0.641 2.005) 4.261 15.231 ( -5.477 -0.168 -3.743) 6.636 15.616 ( 6.371 -3.535 -5.672) 9.233 15.856 ( -3.644 10.305 1.500) 11.033 16.510 ( 0.834 -6.087 -1.266) 6.273 16.646 ( 2.702 0.925 2.612) 3.870 17.865 ( -2.754 -2.942 -1.470) 4.290 18.006 ( -0.894 -1.066 7.950) 8.071 18.263 ( 1.078 17.246 5.313) 18.078 18.743 ( -2.334 -13.520 -2.540) 13.953 18.820 ( 1.414 -4.875 0.615) 5.113 19.181 ( 0.402 9.946 -7.450) 12.433 19.809 ( -0.418 6.346 1.720) 6.588 20.231 ( 2.686 -3.819 0.636) 4.712 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 9.857 14.841 20.199) 26.934 1.308 ( 9.534 8.660 24.609) 27.776 2.374 ( 14.710 30.511 27.837) 43.843 2.712 ( -6.000 -6.640 0.210) 8.951 3.081 ( 1.318 0.355 2.419) 2.777 3.166 ( -2.039 2.304 5.127) 5.979 3.446 ( -0.287 -5.352 -3.264) 6.275 3.746 ( -4.400 -6.364 -2.422) 8.107 3.830 ( -7.070 -2.491 -0.152) 7.498 3.970 ( 6.818 -2.108 1.533) 7.299 4.173 ( 2.503 -3.052 -9.304) 10.107 4.392 ( -2.150 0.641 -3.563) 4.210 4.691 ( -8.241 -0.686 -2.935) 8.775 4.748 ( 3.584 2.752 -2.101) 4.983 5.080 ( 4.915 -1.445 -1.333) 5.294 5.477 ( -9.434 -4.454 -2.220) 10.667 6.029 ( -3.357 -2.977 -4.926) 6.663 6.140 ( 3.278 -3.624 -1.967) 5.267 8.279 ( 1.397 -6.001 -0.835) 6.217 8.470 ( -0.571 -2.382 3.230) 4.054 8.573 ( -9.296 -0.030 2.349) 9.588 8.878 ( 7.775 0.862 -0.592) 7.845 8.932 ( 1.474 2.052 4.219) 4.918 9.362 ( -3.121 -3.599 -0.725) 4.819 9.600 ( -4.436 6.892 -11.718) 14.300 9.685 ( 4.017 0.190 -2.841) 4.923 9.867 ( -6.464 -3.368 -3.232) 7.973 10.016 ( 6.621 1.392 -2.493) 7.210 10.099 ( 2.339 2.476 -6.899) 7.695 10.895 ( 8.583 1.080 -0.473) 8.663 11.037 ( -4.010 8.124 -0.409) 9.069 11.760 ( -1.063 -13.969 -1.440) 14.083 11.875 ( -1.719 -5.491 -5.158) 7.728 12.135 ( -2.173 -9.105 -4.335) 10.316 12.288 ( 1.204 -11.569 5.910) 13.047 12.357 ( -4.262 6.382 -7.023) 10.403 12.590 ( 3.000 9.846 -10.485) 14.693 12.830 ( -0.901 -1.786 1.700) 2.625 12.925 ( -5.363 -0.260 4.106) 6.760 13.025 ( 2.566 -4.483 -0.698) 5.212 13.134 ( 3.836 5.204 2.659) 6.990 13.381 ( -2.804 2.021 12.999) 13.451 13.607 ( -3.442 1.510 6.961) 7.911 13.947 ( 8.315 -3.160 -8.310) 12.173 14.414 ( -2.291 -5.585 -0.797) 6.090 14.629 ( 8.001 17.747 0.429) 19.472 14.695 ( 6.459 -1.127 9.299) 11.378 15.049 ( -11.781 -1.487 -2.299) 12.095 15.545 ( 0.320 -4.232 -8.868) 9.831 15.954 ( 1.950 7.729 3.576) 8.736 16.502 ( 0.958 -0.612 1.719) 2.061 16.721 ( 0.267 3.414 2.626) 4.315 17.717 ( -5.838 -6.182 -3.541) 9.210 18.196 ( 10.840 -2.996 10.661) 15.496 18.437 ( -5.766 3.020 4.442) 7.880 18.521 ( -2.724 -3.324 -4.304) 6.082 18.816 ( -0.401 -2.296 2.943) 3.754 19.186 ( 1.146 10.195 -8.305) 13.199 19.889 ( 1.588 5.039 1.391) 5.463 20.228 ( -0.353 -2.280 -0.021) 2.308 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 10.481 13.135 18.390) 24.912 1.826 ( 16.551 7.731 18.021) 25.661 2.499 ( -11.586 -6.202 -4.021) 13.743 2.825 ( -4.795 -2.820 2.416) 6.065 3.201 ( 4.710 -0.683 -3.694) 6.025 3.241 ( 0.276 6.061 6.587) 8.956 3.390 ( 3.444 8.008 7.578) 11.551 3.636 ( -2.812 -4.028 1.339) 5.092 3.791 ( -0.206 3.381 3.938) 5.194 4.064 ( 6.262 -2.691 1.500) 6.978 4.121 ( 5.041 -2.014 -4.595) 7.113 4.339 ( -3.561 0.508 1.353) 3.843 4.512 ( -7.909 -2.258 -5.838) 10.087 4.729 ( -4.819 1.216 -7.386) 8.903 5.075 ( 2.857 -8.819 -2.859) 9.701 5.271 ( -10.050 2.691 -0.865) 10.440 5.933 ( 0.245 -0.908 -3.749) 3.866 6.131 ( 2.250 -4.213 -1.230) 4.932 8.250 ( 2.423 -6.017 -0.631) 6.517 8.434 ( -4.592 1.819 -1.345) 5.119 8.536 ( -1.137 -0.411 3.403) 3.612 8.982 ( 8.389 -0.699 -3.732) 9.208 9.011 ( 2.247 -0.427 3.614) 4.277 9.211 ( -6.971 -3.447 -3.608) 8.572 9.503 ( -1.120 7.012 -5.376) 8.906 9.701 ( -4.763 4.182 0.319) 6.347 9.759 ( -2.864 -1.913 0.311) 3.458 10.012 ( 7.666 -0.968 -7.578) 10.823 10.209 ( 9.327 2.540 0.568) 9.684 10.935 ( -7.586 2.450 -1.001) 8.034 11.060 ( 8.160 -1.397 0.057) 8.279 11.663 ( -1.478 -8.633 2.214) 9.034 11.748 ( -0.053 -3.137 -6.973) 7.647 11.955 ( -2.113 -7.468 -7.376) 10.707 12.278 ( -2.291 8.024 -8.208) 11.704 12.309 ( 0.406 -10.945 9.746) 14.661 12.600 ( 2.354 8.737 -7.203) 11.566 12.760 ( 0.763 -2.825 -5.789) 6.487 12.943 ( -1.131 -3.951 6.847) 7.986 13.051 ( -0.310 -0.679 5.334) 5.386 13.203 ( 2.788 2.565 -4.489) 5.874 13.477 ( -1.807 -4.470 12.464) 13.364 13.639 ( -5.494 1.233 7.243) 9.174 14.017 ( 10.516 1.461 -3.448) 11.163 14.308 ( -0.946 -5.611 -5.041) 7.602 14.800 ( -0.678 -1.690 -7.180) 7.408 14.902 ( -1.817 9.728 8.384) 12.970 14.944 ( 5.165 12.012 4.156) 13.720 15.393 ( -2.282 -6.593 -4.631) 8.374 16.091 ( 2.931 3.253 5.015) 6.658 16.521 ( -2.556 1.795 0.714) 3.204 16.753 ( -5.367 3.384 2.897) 6.975 17.569 ( 2.397 -5.986 -6.394) 9.081 18.228 ( -7.929 -8.431 -1.316) 11.648 18.463 ( 10.183 -3.383 7.318) 12.988 18.554 ( 2.837 1.041 -3.151) 4.366 18.879 ( -1.550 3.736 10.533) 11.283 19.157 ( -3.663 10.375 -7.469) 13.298 19.946 ( 1.789 0.306 0.042) 1.816 20.192 ( -2.740 0.418 -0.517) 2.820 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 1.675 4.440 6.122) 7.746 2.179 ( -17.535 -3.899 -5.296) 18.728 2.280 ( 12.778 7.580 9.670) 17.726 2.691 ( -5.275 -2.384 5.696) 8.121 3.046 ( 0.940 -10.163 -8.228) 13.110 3.328 ( 0.350 6.548 2.002) 6.856 3.547 ( -1.697 -5.001 0.979) 5.371 3.638 ( 0.680 3.340 0.508) 3.446 3.980 ( 3.152 1.534 0.477) 3.538 4.103 ( -14.957 -5.350 -6.085) 17.011 4.157 ( 0.476 -2.278 2.257) 3.242 4.264 ( 6.119 1.642 3.104) 7.055 4.390 ( 2.878 4.965 5.118) 7.690 4.563 ( -3.163 6.228 -3.881) 7.991 4.964 ( 1.125 -12.925 -3.930) 13.556 5.284 ( -0.780 10.484 2.082) 10.717 5.911 ( 2.013 -3.526 -1.362) 4.282 6.118 ( 2.557 -1.747 -1.279) 3.351 8.220 ( 2.721 -7.010 -1.594) 7.686 8.402 ( -1.603 7.078 -2.690) 7.740 8.555 ( -1.401 -1.867 2.521) 3.436 8.952 ( 1.544 -4.361 -2.655) 5.334 9.093 ( 5.046 0.614 0.343) 5.095 9.154 ( 0.591 2.688 -0.780) 2.861 9.504 ( 1.535 -0.487 -1.515) 2.211 9.642 ( -8.787 2.610 2.101) 9.404 9.734 ( -3.193 5.890 1.617) 6.892 10.086 ( 12.968 -0.649 -5.453) 14.082 10.343 ( 6.347 1.192 0.271) 6.463 10.798 ( -10.660 -1.266 2.782) 11.089 11.198 ( 12.897 -1.588 -0.465) 13.003 11.568 ( -8.917 -0.971 -0.055) 8.970 11.672 ( 2.678 -5.162 -4.444) 7.319 11.822 ( 5.611 -7.014 -8.004) 12.031 12.225 ( -0.024 6.035 -5.893) 8.434 12.366 ( 0.629 -9.351 12.481) 15.608 12.586 ( 2.280 4.644 -8.821) 10.226 12.745 ( 4.565 0.865 -2.536) 5.293 12.963 ( -2.171 -2.773 4.602) 5.794 13.103 ( -1.519 2.747 2.080) 3.766 13.208 ( 3.704 3.670 -3.020) 6.026 13.545 ( -4.271 -5.163 9.431) 11.569 13.661 ( -6.665 -0.925 11.056) 12.943 14.134 ( 8.239 1.619 -4.257) 9.414 14.185 ( 1.448 -3.768 -6.653) 7.782 14.619 ( -5.362 -7.566 -3.925) 10.070 15.060 ( -3.015 22.720 -5.203) 23.503 15.125 ( 3.279 -5.404 8.721) 10.771 15.346 ( 2.408 3.298 2.137) 4.609 16.186 ( -0.008 -0.893 5.321) 5.396 16.457 ( -6.189 -0.320 -2.187) 6.571 16.679 ( -8.838 -2.638 1.821) 9.402 17.585 ( 13.415 -0.471 -4.431) 14.136 18.103 ( -5.475 -0.455 2.576) 6.068 18.489 ( 1.278 -10.128 -2.156) 10.433 18.559 ( 4.750 0.256 -10.353) 11.393 19.074 ( -11.369 10.943 -1.528) 15.853 19.103 ( 3.401 3.966 15.250) 16.120 19.950 ( 3.162 -4.306 -1.439) 5.532 20.152 ( -3.926 2.028 -0.385) 4.435 ======================= Grid point 14 (10/90) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -21.651 -5.537 -8.497) 23.908 1.903 ( -18.589 -3.841 -11.021) 21.950 2.578 ( 3.862 3.739 9.446) 10.868 2.864 ( 3.160 5.346 9.965) 11.742 2.943 ( 2.827 -2.957 -4.769) 6.283 3.300 ( -25.906 -10.022 -7.191) 28.693 3.442 ( 1.754 4.379 -1.286) 4.889 3.606 ( -5.503 -3.487 -2.953) 7.153 3.646 ( 2.382 -3.960 -0.763) 4.684 3.981 ( 1.244 -3.735 -5.402) 6.684 4.228 ( 3.521 2.958 2.749) 5.358 4.424 ( 2.261 1.051 7.436) 7.843 4.487 ( 2.292 5.544 -3.493) 6.942 4.804 ( 0.694 -0.392 3.868) 3.949 4.883 ( 16.126 1.342 4.176) 16.712 5.367 ( -3.202 8.135 0.827) 8.782 5.902 ( 4.171 -5.455 1.138) 6.960 6.146 ( 3.559 0.541 -1.657) 3.963 8.194 ( 4.123 -5.357 -1.632) 6.954 8.415 ( -0.600 7.495 -3.255) 8.194 8.513 ( -3.975 -2.356 0.840) 4.696 8.982 ( 4.864 2.033 -0.922) 5.351 9.156 ( -2.003 0.127 -0.102) 2.009 9.190 ( 6.045 3.345 0.878) 6.964 9.427 ( -2.746 -11.685 0.753) 12.026 9.622 ( -1.879 3.712 2.877) 5.059 9.826 ( 2.637 11.584 1.399) 11.962 10.162 ( 5.315 -2.464 -2.031) 6.200 10.381 ( 0.258 -1.296 -1.815) 2.245 10.765 ( -0.587 -0.292 6.429) 6.462 11.366 ( 13.135 0.415 -1.662) 13.246 11.417 ( -11.303 1.776 -2.095) 11.632 11.643 ( 7.527 -5.808 -1.608) 9.642 11.801 ( 10.306 -4.299 -7.012) 13.186 12.245 ( 2.813 0.587 1.036) 3.054 12.492 ( 3.094 -4.648 13.066) 14.209 12.551 ( 2.481 6.217 -8.982) 11.202 12.786 ( 1.617 -2.467 2.348) 3.770 12.957 ( -1.109 0.388 0.272) 1.206 13.104 ( -1.779 4.277 -2.056) 5.068 13.279 ( 2.021 6.539 -1.197) 6.948 13.518 ( -8.018 -1.588 7.245) 10.922 13.650 ( -10.360 -5.958 8.078) 14.425 14.032 ( 0.496 -4.685 -8.542) 9.755 14.253 ( 5.845 1.455 -2.815) 6.649 14.484 ( 0.119 -7.121 -0.384) 7.132 15.000 ( -3.387 4.617 -8.704) 10.419 15.273 ( -5.553 5.945 12.898) 15.249 15.439 ( 3.894 5.181 -3.104) 7.186 16.234 ( -4.215 1.771 8.502) 9.653 16.304 ( -4.500 -1.554 -7.667) 9.025 16.569 ( -2.302 -9.111 2.390) 9.697 17.787 ( 14.441 2.640 1.645) 14.772 18.116 ( -2.278 6.375 2.797) 7.325 18.364 ( -2.467 -9.530 -4.754) 10.932 18.432 ( 3.614 -2.217 -13.643) 14.287 18.960 ( -12.325 7.308 -1.300) 14.388 19.341 ( -0.960 3.078 12.807) 13.206 19.963 ( 6.537 -4.827 -0.326) 8.133 20.099 ( -5.276 0.987 0.370) 5.380 ======================= Grid point 15 (11/90) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -24.762 -5.666 -9.241) 27.031 1.410 ( -26.263 -3.134 -11.890) 28.999 2.424 ( -49.257 -9.780 -5.469) 50.515 2.704 ( 2.020 -1.377 4.912) 5.487 2.925 ( -0.806 3.148 -6.470) 7.240 3.100 ( 2.331 1.662 1.340) 3.161 3.558 ( 4.065 0.808 5.388) 6.797 3.645 ( 7.521 -0.772 1.051) 7.633 3.689 ( 7.275 0.178 0.810) 7.322 3.899 ( 1.317 -1.584 -5.500) 5.873 4.342 ( 5.641 3.578 0.734) 6.720 4.508 ( 0.926 3.979 -1.438) 4.331 4.566 ( 5.914 -2.072 4.187) 7.537 4.741 ( -2.488 -3.676 1.926) 4.839 5.218 ( 7.130 4.342 -0.956) 8.402 5.354 ( -0.319 2.046 4.423) 4.884 5.996 ( 8.093 -0.258 2.679) 8.529 6.165 ( 2.601 -0.393 -2.182) 3.418 8.214 ( 5.553 -3.499 -0.495) 6.583 8.413 ( -1.208 3.401 -2.402) 4.335 8.469 ( -2.434 1.609 0.565) 2.972 9.002 ( -3.989 7.578 -4.547) 9.696 9.058 ( -7.459 -6.904 -2.343) 10.430 9.262 ( 5.046 -2.202 0.406) 5.520 9.483 ( 10.803 -3.199 8.681) 14.223 9.665 ( -0.061 0.980 2.433) 2.624 9.991 ( 5.914 10.763 -0.517) 12.292 10.156 ( -0.534 -2.210 0.016) 2.273 10.333 ( -1.301 -2.799 -0.668) 3.158 10.863 ( 2.981 -1.968 5.342) 6.426 11.239 ( -10.761 1.977 -2.666) 11.261 11.549 ( 15.915 2.810 -2.349) 16.331 11.755 ( 13.316 -4.632 -0.621) 14.112 11.857 ( 8.564 1.528 -3.515) 9.382 12.336 ( 5.187 -7.204 9.675) 13.130 12.527 ( 4.181 7.310 -10.287) 13.294 12.673 ( 2.054 2.340 7.630) 8.241 12.809 ( -2.363 -3.771 6.714) 8.055 12.949 ( -1.717 -2.382 2.262) 3.707 13.076 ( -0.820 4.788 -4.030) 6.311 13.305 ( -2.824 10.573 -5.217) 12.123 13.472 ( -12.311 -7.651 0.608) 14.508 13.520 ( -6.753 -0.764 12.699) 14.403 13.893 ( 1.121 -2.709 -12.641) 12.976 14.243 ( 1.758 -10.700 1.278) 10.919 14.492 ( 0.061 5.295 -1.892) 5.623 14.866 ( -6.028 -2.488 -4.513) 7.930 15.273 ( -7.732 8.537 -3.737) 12.109 15.551 ( 5.633 -2.216 8.880) 10.747 16.095 ( -7.454 -0.302 -7.435) 10.532 16.385 ( 2.448 6.359 8.163) 10.633 16.523 ( 2.108 -8.709 1.411) 9.071 17.957 ( -2.767 0.119 4.606) 5.375 18.122 ( -4.308 -2.458 -5.584) 7.469 18.225 ( 12.588 4.058 -10.001) 16.581 18.425 ( 6.108 -0.976 3.382) 7.050 18.812 ( -10.699 2.628 -3.490) 11.557 19.410 ( -5.093 0.307 4.359) 6.710 19.978 ( -4.281 -0.806 -1.309) 4.548 20.104 ( 4.466 -1.227 5.688) 7.335 ======================= Grid point 16 (12/90) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -27.196 -6.302 -4.713) 28.312 0.898 ( -31.451 7.044 -5.643) 32.721 1.616 ( -56.257 -0.903 5.132) 56.498 2.793 ( 2.411 0.087 4.837) 5.406 2.842 ( -0.471 -0.128 -5.294) 5.316 3.130 ( 0.730 0.011 -0.030) 0.730 3.584 ( -4.626 -0.002 0.981) 4.729 3.765 ( 8.309 -0.052 -0.482) 8.323 3.866 ( 12.823 -0.919 0.949) 12.891 3.885 ( 1.351 0.966 0.210) 1.674 4.449 ( 5.214 2.387 -2.136) 6.119 4.531 ( 7.474 -2.260 -3.345) 8.494 4.629 ( 0.445 -2.679 2.601) 3.760 4.746 ( -3.352 2.732 3.480) 5.550 5.136 ( -6.578 0.022 -2.248) 6.952 5.510 ( 7.339 -0.239 1.197) 7.440 6.134 ( 6.422 0.711 0.988) 6.537 6.176 ( 3.219 -0.633 -1.168) 3.482 8.278 ( 5.566 -0.368 1.222) 5.710 8.397 ( -0.676 -1.614 1.432) 2.261 8.461 ( -1.596 3.678 -2.363) 4.654 8.852 ( -5.825 -8.085 -1.324) 10.052 8.928 ( -7.837 6.644 -3.053) 10.718 9.343 ( 4.093 -0.205 1.785) 4.470 9.666 ( 0.498 -0.465 2.192) 2.295 9.755 ( 11.176 0.302 4.814) 12.173 10.063 ( 4.767 -4.261 -4.606) 7.880 10.192 ( 1.495 6.037 1.649) 6.434 10.282 ( -0.394 -1.049 -4.396) 4.536 10.885 ( -4.831 -0.787 2.010) 5.291 11.136 ( -2.172 -0.023 -1.253) 2.508 11.794 ( 19.401 0.296 -2.288) 19.538 11.874 ( 10.661 -2.244 0.878) 10.930 11.970 ( 5.351 2.676 1.228) 6.108 12.488 ( 5.085 -5.958 8.724) 11.724 12.543 ( 5.347 6.247 -4.743) 9.493 12.699 ( -2.905 -1.417 -4.050) 5.182 12.805 ( -5.060 1.304 1.228) 5.368 12.910 ( -1.362 -1.498 0.828) 2.187 13.047 ( -5.003 -2.033 -1.691) 5.659 13.268 ( -2.945 2.573 -8.539) 9.392 13.300 ( -8.180 2.589 7.671) 11.509 13.641 ( 3.554 -1.924 -19.084) 19.507 13.718 ( -3.180 1.567 19.854) 20.168 14.220 ( 1.895 -9.597 6.359) 11.667 14.458 ( -7.748 12.095 -5.818) 15.497 14.682 ( -8.163 -5.940 -2.338) 10.363 15.238 ( 3.360 2.405 -3.348) 5.318 15.706 ( 1.415 -1.574 8.802) 9.053 15.908 ( -6.683 0.814 -7.390) 9.997 16.507 ( 3.280 -1.742 -1.745) 4.103 16.563 ( 2.047 1.671 6.900) 7.388 17.895 ( -2.475 1.298 -3.715) 4.649 17.973 ( -4.542 -1.747 -1.029) 4.974 18.435 ( 16.236 -0.244 1.821) 16.339 18.524 ( -8.536 1.552 1.079) 8.743 18.674 ( 5.015 -1.012 -2.495) 5.692 19.349 ( -6.502 -0.106 -0.088) 6.503 19.870 ( -7.533 -0.010 -0.513) 7.551 20.237 ( 4.086 0.131 3.875) 5.632 ======================= Grid point 18 (13/90) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -10.239 15.574 18.010) 25.918 1.475 ( -13.658 15.590 21.713) 30.017 2.292 ( -13.259 28.796 31.373) 44.601 2.724 ( 5.695 -6.152 0.206) 8.386 3.063 ( -0.167 -0.396 3.444) 3.471 3.146 ( 3.556 -0.942 0.962) 3.802 3.482 ( -2.853 -3.762 -0.226) 4.726 3.712 ( 8.920 -2.886 -2.268) 9.646 3.773 ( 2.966 -9.487 -2.427) 10.232 4.000 ( -4.213 -0.589 2.962) 5.184 4.229 ( -3.232 -3.521 -10.604) 11.632 4.393 ( 0.949 4.372 -5.683) 7.233 4.602 ( 4.471 -1.970 -1.321) 5.061 4.784 ( 2.004 -0.518 0.728) 2.194 5.148 ( -7.879 5.036 -3.325) 9.924 5.432 ( 11.240 -8.286 -0.792) 13.987 6.002 ( 4.389 -5.256 -5.365) 8.699 6.166 ( -3.633 -1.614 -2.190) 4.539 8.259 ( -0.128 -7.034 -0.072) 7.035 8.452 ( 0.780 -2.942 2.670) 4.049 8.575 ( 5.926 3.844 1.793) 7.288 8.951 ( -5.969 2.832 2.542) 7.079 9.090 ( -11.295 2.851 2.817) 11.984 9.232 ( 8.581 -0.458 -4.034) 9.493 9.454 ( 7.672 -6.763 -6.057) 11.886 9.631 ( 1.023 -0.475 -2.602) 2.836 9.942 ( -0.314 1.748 -8.051) 8.244 10.070 ( -5.139 0.360 -5.799) 7.757 10.192 ( -2.903 9.986 -3.712) 11.042 10.776 ( -2.206 -3.546 -0.353) 4.191 11.130 ( -3.055 11.980 -0.312) 12.367 11.752 ( 0.904 -15.598 -6.462) 16.908 11.877 ( 5.734 -7.569 0.013) 9.496 12.068 ( -0.324 -10.057 -5.769) 11.599 12.235 ( 4.724 -9.614 5.065) 11.849 12.466 ( 2.821 6.382 -4.518) 8.313 12.493 ( -4.809 3.571 -11.096) 12.609 12.822 ( 2.531 -1.121 5.693) 6.331 12.981 ( 2.462 1.297 4.841) 5.584 13.076 ( -4.427 1.355 -5.438) 7.141 13.182 ( -4.735 5.989 2.485) 8.028 13.405 ( 1.359 5.449 11.326) 12.642 13.581 ( 4.932 0.659 8.078) 9.488 13.944 ( -9.040 -5.787 -5.002) 11.842 14.381 ( -0.730 -4.508 2.321) 5.122 14.512 ( 5.911 0.649 0.191) 5.950 14.674 ( -8.310 5.805 -2.082) 10.348 15.288 ( 4.991 12.992 -2.516) 14.143 15.492 ( -3.806 -6.390 0.184) 7.440 15.983 ( -2.285 10.884 -2.678) 11.439 16.424 ( 1.728 -8.327 3.225) 9.096 16.644 ( 3.358 -2.527 4.683) 6.292 17.813 ( 3.073 1.055 -3.745) 4.958 18.174 ( -9.508 -4.391 7.254) 12.740 18.433 ( 2.497 2.112 -0.590) 3.323 18.599 ( 3.536 -1.708 7.890) 8.813 18.792 ( -1.011 0.469 -2.644) 2.869 19.161 ( 0.232 8.595 -8.874) 12.356 19.917 ( -2.896 7.516 1.840) 8.262 20.152 ( 3.331 -8.115 2.056) 9.010 ======================= Grid point 19 (14/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.394 14.725 19.451) 24.399 1.710 ( -7.524 13.966 23.486) 28.342 2.726 ( -0.292 -8.124 2.146) 8.408 2.783 ( 0.759 18.983 18.489) 26.510 3.120 ( 3.671 6.214 4.406) 8.456 3.146 ( -0.226 -4.254 -2.469) 4.924 3.438 ( 0.593 -5.284 1.838) 5.626 3.686 ( -1.576 -7.055 0.365) 7.238 3.815 ( 9.170 -3.962 -0.308) 9.994 3.927 ( -6.567 -2.721 0.688) 7.141 4.045 ( -0.779 0.001 -8.754) 8.788 4.386 ( 0.352 1.923 -0.680) 2.070 4.671 ( 5.833 3.833 -2.256) 7.336 4.739 ( -5.087 -0.800 -4.821) 7.054 5.050 ( -3.486 1.274 -2.117) 4.273 5.455 ( 2.014 -6.793 -2.289) 7.446 5.969 ( 3.165 -4.532 -4.254) 6.975 6.045 ( -2.746 -3.150 -3.453) 5.421 8.210 ( 0.606 -7.081 0.503) 7.125 8.468 ( 0.929 -2.863 1.566) 3.393 8.657 ( 0.390 2.744 -1.960) 3.394 8.836 ( -6.434 -2.658 -2.613) 7.435 9.003 ( -1.311 3.278 1.267) 3.751 9.351 ( 0.419 -3.911 1.097) 4.084 9.461 ( 9.582 -0.824 -3.331) 10.177 9.574 ( -0.153 3.659 -10.195) 10.833 9.889 ( 0.089 -2.052 -2.787) 3.462 9.984 ( -0.139 8.778 -2.060) 9.018 10.126 ( -8.840 5.437 -2.333) 10.638 10.794 ( 5.482 -1.464 0.527) 5.698 11.153 ( -4.119 10.090 -2.873) 11.271 11.564 ( 3.232 -15.516 -4.989) 16.616 11.794 ( -2.586 -9.172 -3.784) 10.254 12.000 ( 4.317 -9.794 -1.640) 10.828 12.244 ( 3.001 -12.008 1.360) 12.452 12.344 ( -3.825 6.607 -7.610) 10.779 12.505 ( 3.188 10.262 -6.613) 12.617 12.867 ( -6.564 -3.515 -5.209) 9.087 12.931 ( 1.336 -4.491 7.549) 8.885 13.101 ( -1.209 -1.233 7.610) 7.803 13.210 ( -1.135 1.542 4.322) 4.728 13.628 ( -5.232 4.890 12.236) 14.178 13.666 ( -1.765 -6.269 -7.175) 9.690 13.764 ( 5.777 3.198 5.231) 8.424 14.326 ( -0.364 -3.947 -6.820) 7.888 14.610 ( 8.857 -2.394 4.804) 10.357 14.716 ( 2.529 10.658 -1.346) 11.037 15.304 ( -10.387 12.604 -3.145) 16.633 15.420 ( -2.628 -5.266 3.088) 6.646 16.050 ( 1.442 12.065 -0.301) 12.155 16.467 ( 3.997 -5.643 5.799) 9.025 16.748 ( 3.618 1.511 3.880) 5.516 17.733 ( -6.653 -6.593 -3.094) 9.864 18.167 ( 1.770 -5.630 6.516) 8.792 18.378 ( 3.593 -7.160 -9.904) 12.738 18.586 ( -6.236 -2.286 1.588) 6.829 18.878 ( 1.509 8.963 6.540) 11.198 19.188 ( 1.331 13.354 -4.829) 14.262 19.963 ( -2.308 5.322 1.781) 6.068 20.172 ( 3.756 -5.641 1.425) 6.926 ======================= Grid point 20 (15/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 7.872 12.528 16.418) 22.102 2.040 ( -1.011 13.392 20.544) 24.544 2.608 ( -11.385 -5.915 1.468) 12.914 2.876 ( -3.393 -1.984 -1.064) 4.072 3.007 ( 1.166 -10.110 -8.486) 13.251 3.367 ( -1.581 -1.253 3.641) 4.162 3.477 ( 4.668 3.706 3.398) 6.861 3.666 ( -0.356 0.296 5.848) 5.866 3.873 ( 2.182 2.612 3.740) 5.056 3.897 ( 8.769 -5.160 -2.000) 10.369 4.020 ( 4.404 3.052 -2.233) 5.805 4.417 ( -2.647 1.610 4.711) 5.638 4.565 ( -8.688 1.612 -5.247) 10.277 4.719 ( -0.216 5.321 -4.859) 7.209 4.978 ( -3.081 -6.430 -1.543) 7.295 5.359 ( -3.440 -0.767 -2.629) 4.397 5.867 ( -1.009 -2.960 -4.389) 5.389 6.028 ( 4.586 -4.135 -1.591) 6.377 8.166 ( 1.017 -7.311 -0.402) 7.393 8.462 ( -1.067 0.819 -1.418) 1.955 8.589 ( -3.473 -0.735 -0.284) 3.561 8.805 ( 6.480 -0.731 -5.951) 8.828 9.038 ( 0.200 0.789 2.428) 2.561 9.242 ( -6.284 -2.946 -2.622) 7.419 9.475 ( 0.639 2.970 -5.097) 5.934 9.633 ( 12.869 1.728 -0.912) 13.017 9.839 ( -4.027 5.267 -0.918) 6.693 9.978 ( -7.519 1.558 -3.465) 8.424 10.144 ( 5.205 5.230 3.809) 8.304 10.870 ( 7.405 -2.792 -0.932) 7.968 11.096 ( -6.611 3.619 -2.402) 7.910 11.501 ( 8.073 -8.794 -3.387) 12.409 11.629 ( -1.096 -8.669 -6.020) 10.611 11.919 ( -4.350 -6.778 -0.848) 8.098 12.177 ( 4.048 -2.024 -8.517) 9.645 12.329 ( 0.263 -2.562 4.646) 5.312 12.566 ( 4.514 11.938 -7.045) 14.579 12.651 ( -5.549 -6.815 -6.299) 10.812 13.004 ( -0.975 -6.972 9.328) 11.686 13.172 ( -1.639 1.434 7.640) 7.945 13.229 ( -4.897 0.394 1.566) 5.157 13.500 ( 5.320 -5.950 -1.379) 8.100 13.778 ( -2.277 2.135 7.296) 7.936 13.947 ( 4.165 3.168 6.837) 8.609 14.178 ( -0.769 -3.979 -9.497) 10.326 14.750 ( -0.899 -0.266 -3.457) 3.581 14.834 ( 12.774 2.848 4.448) 13.823 15.189 ( -6.300 8.665 -9.740) 14.479 15.437 ( -7.292 6.119 11.933) 15.265 16.185 ( 0.414 7.790 5.618) 9.613 16.536 ( 1.499 -1.781 1.934) 3.027 16.850 ( 1.750 3.138 3.729) 5.179 17.491 ( -9.918 -9.189 -4.583) 14.277 18.136 ( 2.789 -13.008 -2.849) 13.605 18.356 ( 8.924 1.068 -6.400) 11.033 18.510 ( -3.039 -3.211 0.213) 4.426 19.037 ( 0.819 6.297 6.598) 9.157 19.278 ( -2.815 15.161 2.356) 15.599 19.957 ( -2.822 -1.559 0.267) 3.235 20.192 ( 1.293 -0.464 -0.026) 1.374 ======================= Grid point 21 (16/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -4.376 -1.502 1.713) 4.934 2.372 ( -12.113 8.775 1.678) 15.052 2.407 ( 0.696 8.766 12.545) 15.320 2.810 ( -1.666 -4.935 4.447) 6.849 2.860 ( 0.752 -4.960 -2.805) 5.747 3.359 ( 0.505 1.661 -1.689) 2.422 3.453 ( 4.103 -12.407 -1.989) 13.218 3.676 ( -3.750 -0.418 -2.321) 4.430 3.897 ( 4.793 -5.627 -2.893) 7.938 4.085 ( 5.208 3.695 0.576) 6.412 4.215 ( 11.894 5.038 6.968) 14.676 4.332 ( -16.204 0.687 -2.251) 16.374 4.456 ( -5.377 1.803 1.372) 5.834 4.655 ( -3.779 6.774 -1.582) 7.917 4.847 ( -2.558 -7.277 0.413) 7.725 5.365 ( 1.987 7.090 0.580) 7.386 5.820 ( 2.636 -4.022 -2.632) 5.482 6.032 ( 3.766 -3.312 -1.459) 5.223 8.114 ( 1.680 -6.045 -1.829) 6.535 8.437 ( -1.385 5.636 -3.171) 6.613 8.582 ( -0.061 -1.985 2.344) 3.072 8.800 ( 6.756 -3.944 -5.057) 9.315 9.084 ( 1.119 1.067 3.033) 3.405 9.158 ( -0.816 2.793 -2.457) 3.808 9.454 ( 0.628 -3.835 -0.977) 4.007 9.795 ( 5.495 3.522 -5.789) 8.725 9.826 ( -8.822 2.423 1.687) 9.303 9.896 ( 5.053 6.646 2.794) 8.804 10.281 ( 4.493 2.395 1.022) 5.193 10.893 ( 0.255 -5.419 -0.438) 5.443 11.052 ( 2.655 1.176 0.640) 2.974 11.493 ( 3.193 -7.469 -7.972) 11.381 11.518 ( 6.794 -5.045 -2.958) 8.964 11.773 ( -8.693 -3.020 -0.579) 9.221 12.146 ( 5.503 2.397 -7.281) 9.436 12.392 ( 1.733 -10.195 10.486) 14.728 12.496 ( -0.144 0.941 -6.786) 6.853 12.648 ( 6.208 7.377 -5.113) 10.913 13.003 ( -2.928 -5.251 3.763) 7.092 13.177 ( -3.000 2.107 1.462) 3.947 13.266 ( -0.390 4.570 4.274) 6.270 13.607 ( 6.865 -6.946 7.391) 12.247 13.816 ( -4.221 1.639 4.600) 6.455 14.027 ( 3.647 -1.190 -8.859) 9.654 14.071 ( -1.091 0.366 2.756) 2.987 14.615 ( -7.352 -5.548 -3.052) 9.703 15.054 ( -1.172 2.622 -10.351) 10.742 15.094 ( 12.548 1.457 5.289) 13.695 15.565 ( -8.158 16.948 8.275) 20.549 16.290 ( -2.822 2.093 7.225) 8.034 16.494 ( -4.489 -3.088 -1.250) 5.590 16.869 ( -12.940 -0.922 4.767) 13.821 17.337 ( 10.094 -3.551 -4.544) 11.625 18.098 ( 6.424 -5.887 -0.390) 8.722 18.323 ( 2.612 -3.141 -10.620) 11.378 18.460 ( -1.969 -2.114 -1.468) 3.240 19.144 ( 0.056 6.171 -0.104) 6.172 19.418 ( -4.987 11.097 12.254) 17.267 19.882 ( -1.419 -5.616 -1.243) 5.924 20.195 ( -1.229 1.533 -0.402) 2.006 ======================= Grid point 22 (17/90) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -19.026 -7.503 -5.236) 21.111 2.099 ( -22.501 6.336 -6.797) 24.344 2.686 ( -0.817 1.126 7.680) 7.805 2.845 ( 8.955 2.680 3.454) 9.966 2.956 ( 1.467 3.257 4.956) 6.110 3.365 ( 6.473 0.242 -2.238) 6.854 3.431 ( -0.898 -8.063 2.407) 8.463 3.555 ( -1.994 -2.885 -7.247) 8.051 3.795 ( -17.892 -6.895 -0.571) 19.183 3.911 ( -11.887 1.119 -2.473) 12.193 4.220 ( 3.657 2.712 -0.828) 4.627 4.360 ( 6.496 0.962 -3.045) 7.238 4.531 ( -1.837 0.177 2.097) 2.794 4.690 ( 9.572 -4.582 2.989) 11.025 4.911 ( 3.575 9.018 6.067) 11.442 5.468 ( -0.721 8.251 0.230) 8.285 5.792 ( 4.772 -6.871 -0.366) 8.373 6.058 ( 4.857 -1.286 -1.867) 5.360 8.090 ( 3.210 -3.040 -1.195) 4.580 8.435 ( -0.444 5.101 -2.597) 5.741 8.559 ( -3.031 -1.472 0.433) 3.397 8.876 ( 10.241 -0.113 0.129) 10.242 9.153 ( 1.935 2.567 -1.260) 3.453 9.176 ( 1.402 2.739 1.116) 3.273 9.371 ( -2.247 -12.004 1.062) 12.259 9.697 ( -1.928 -1.431 -1.693) 2.938 9.897 ( 0.232 9.748 1.113) 9.814 10.067 ( 7.104 5.015 -0.879) 8.740 10.321 ( 0.842 -0.563 -1.002) 1.425 10.849 ( -1.225 -4.002 3.304) 5.332 11.167 ( 9.674 0.491 -0.067) 9.687 11.404 ( 6.402 -7.937 -7.200) 12.483 11.534 ( 0.171 0.968 -1.065) 1.450 11.672 ( -0.915 -0.626 1.698) 2.027 12.192 ( 6.824 1.078 -2.108) 7.223 12.399 ( 2.356 -4.510 -1.788) 5.393 12.551 ( 5.221 0.063 5.534) 7.609 12.734 ( 5.923 2.312 -0.854) 6.415 12.972 ( -1.538 -1.420 1.527) 2.591 13.181 ( -3.293 3.089 0.080) 4.516 13.327 ( -0.042 7.529 -1.271) 7.636 13.659 ( -2.347 -7.217 5.363) 9.293 13.760 ( -7.323 2.270 -2.563) 8.083 14.005 ( -7.163 -2.791 0.524) 7.705 14.106 ( 11.938 -0.009 -0.976) 11.978 14.454 ( -4.058 -6.364 0.393) 7.558 14.935 ( -0.277 -0.914 -8.548) 8.602 15.333 ( 9.924 0.400 5.410) 11.310 15.607 ( -12.648 15.966 -0.222) 20.370 16.258 ( -5.890 0.846 -6.957) 9.154 16.437 ( -2.731 -7.102 10.272) 12.783 16.676 ( -15.319 -0.919 5.377) 16.261 17.558 ( 20.386 1.654 1.036) 20.479 18.144 ( 5.989 -8.362 -11.571) 15.482 18.224 ( 1.772 3.690 3.791) 5.579 18.347 ( -6.706 -1.368 -4.325) 8.096 19.109 ( -7.214 4.043 -4.053) 9.209 19.545 ( -5.433 2.531 7.366) 9.496 19.869 ( 4.710 -1.940 3.049) 5.937 20.173 ( -3.172 0.993 0.461) 3.356 ======================= Grid point 23 (18/90) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -24.186 -4.494 -2.908) 24.771 1.726 ( -27.607 8.135 -4.985) 29.209 2.744 ( 0.845 -0.182 4.200) 4.288 2.871 ( -3.245 -1.435 -3.602) 5.056 3.027 ( -26.617 -2.039 -4.899) 27.140 3.115 ( -10.511 1.137 8.870) 13.800 3.487 ( 8.370 -3.617 -2.959) 9.586 3.514 ( 9.054 1.829 -0.073) 9.237 3.693 ( -1.139 1.593 6.926) 7.198 3.842 ( -0.093 -0.469 -0.292) 0.560 4.264 ( 5.888 0.126 -3.906) 7.067 4.413 ( 4.766 4.759 -7.918) 10.395 4.509 ( 3.171 -8.851 4.523) 10.433 4.831 ( 0.423 3.297 6.532) 7.329 5.112 ( 10.646 3.417 -1.358) 11.263 5.419 ( -5.744 -2.265 -1.458) 6.344 5.899 ( 10.118 1.000 2.250) 10.413 6.084 ( 3.555 -1.129 -1.888) 4.181 8.129 ( 4.681 -0.432 0.721) 4.756 8.434 ( -1.008 2.216 -1.131) 2.684 8.516 ( -2.753 0.499 0.050) 2.799 9.013 ( 4.026 3.682 -1.913) 5.782 9.069 ( -7.033 -6.114 -2.697) 9.702 9.182 ( 4.198 -0.467 -0.845) 4.308 9.431 ( 8.375 -1.695 8.399) 11.981 9.680 ( 1.039 -2.346 0.650) 2.647 9.953 ( 1.534 -1.669 -2.455) 3.341 10.150 ( 3.414 9.926 -4.450) 11.401 10.301 ( -1.691 -1.035 0.313) 2.007 10.883 ( 2.888 -3.268 4.344) 6.156 11.223 ( 1.976 -0.447 -8.262) 8.507 11.401 ( 7.076 -3.403 2.147) 8.140 11.579 ( 5.854 2.700 2.302) 6.845 11.780 ( 7.496 2.344 3.642) 8.657 12.294 ( 9.103 -1.844 0.490) 9.301 12.388 ( 3.160 -1.450 -1.471) 3.775 12.693 ( 4.281 3.345 2.488) 5.976 12.834 ( 4.692 -1.180 4.206) 6.411 12.960 ( -1.041 -4.640 1.474) 4.979 13.090 ( -5.178 1.790 -7.125) 8.988 13.366 ( -1.048 10.484 -4.888) 11.615 13.583 ( -3.909 -0.945 -4.739) 6.215 13.634 ( -8.642 -1.186 -2.561) 9.092 13.868 ( -7.598 0.217 5.051) 9.126 14.231 ( -0.316 -8.247 9.263) 12.406 14.453 ( 7.455 2.257 -2.199) 8.093 14.822 ( -1.366 -5.503 -4.085) 6.989 15.374 ( -8.859 8.606 -8.358) 14.913 15.616 ( 1.709 0.509 8.107) 8.301 16.054 ( -6.631 1.589 -9.968) 12.077 16.451 ( 0.823 -12.699 6.013) 14.074 16.654 ( -8.964 9.667 9.920) 16.499 17.879 ( 21.165 -0.244 1.103) 21.195 17.977 ( -0.236 -2.596 -9.601) 9.949 18.174 ( -9.579 -1.873 -1.595) 9.890 18.404 ( 7.050 4.606 5.948) 10.310 18.928 ( -11.526 -0.901 -5.384) 12.754 19.504 ( -4.989 -1.341 -0.064) 5.167 19.978 ( 2.324 0.666 1.477) 2.833 20.162 ( -1.254 0.379 4.091) 4.295 ======================= Grid point 24 (19/90) ======================= q-point: (-0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -23.891 5.494 8.580) 25.972 1.387 ( -28.472 12.773 1.665) 31.250 2.477 ( -46.294 4.853 10.122) 47.635 2.731 ( 2.388 0.173 -8.474) 8.806 2.889 ( -0.919 -1.784 10.772) 10.958 3.116 ( -0.977 -1.133 -0.296) 1.525 3.529 ( 8.029 -2.112 -6.925) 10.811 3.665 ( 11.706 -1.098 -0.806) 11.785 3.748 ( -3.194 0.513 3.875) 5.048 3.904 ( 2.307 1.443 4.756) 5.479 4.321 ( 9.281 -2.119 -2.427) 9.824 4.391 ( 2.048 2.439 -6.480) 7.220 4.573 ( 5.875 -3.931 1.849) 7.307 4.872 ( -5.485 0.787 1.290) 5.689 5.176 ( 0.005 4.151 -2.965) 5.101 5.357 ( 7.754 -8.718 -2.597) 11.952 6.046 ( 5.684 -0.118 -1.273) 5.826 6.118 ( 4.431 1.073 1.058) 4.680 8.232 ( 6.097 2.443 2.782) 7.133 8.407 ( -1.555 -3.157 -0.128) 3.521 8.480 ( -2.631 0.560 -0.938) 2.849 8.888 ( -5.363 -2.779 1.430) 6.207 9.046 ( -4.621 6.937 -1.937) 8.558 9.271 ( 7.529 -1.209 0.511) 7.643 9.650 ( 7.006 -2.028 4.854) 8.761 9.685 ( 3.157 -1.295 0.816) 3.509 9.848 ( 3.272 -9.901 -8.434) 13.411 10.228 ( 0.971 11.379 -4.312) 12.207 10.260 ( -3.240 -0.191 -0.919) 3.374 10.953 ( 2.947 -3.706 3.454) 5.861 11.101 ( -4.256 1.619 -6.409) 7.862 11.557 ( 12.656 -2.101 2.428) 13.056 11.766 ( 10.120 1.424 5.289) 11.507 11.941 ( 5.846 0.264 4.565) 7.422 12.360 ( 9.169 3.706 -10.924) 14.736 12.490 ( 6.130 -7.760 12.169) 15.680 12.696 ( -7.306 2.281 -9.260) 12.014 12.848 ( -3.410 2.815 -4.765) 6.501 12.915 ( 0.777 -4.281 0.748) 4.414 13.036 ( 4.111 -1.961 2.507) 5.199 13.295 ( -9.558 2.769 -3.918) 10.695 13.391 ( -0.357 1.078 -13.091) 13.140 13.513 ( -9.607 4.681 -0.324) 10.692 13.978 ( -0.278 2.650 13.006) 13.276 14.255 ( -0.254 -4.579 7.862) 9.102 14.565 ( 1.870 6.405 1.671) 6.878 14.712 ( -3.516 -5.992 1.629) 7.136 15.199 ( -6.982 6.228 -9.748) 13.511 15.683 ( 3.784 -7.534 -2.308) 8.742 15.948 ( -3.634 8.044 -0.708) 8.855 16.435 ( 1.602 -8.927 3.455) 9.706 16.693 ( -6.230 2.187 3.600) 7.521 17.858 ( 0.100 4.919 -9.854) 11.014 18.075 ( -6.030 1.373 6.599) 9.044 18.185 ( 18.339 -3.452 3.480) 18.983 18.601 ( 5.717 0.552 4.768) 7.465 18.678 ( -11.798 -1.308 -3.285) 12.316 19.407 ( -4.773 -0.717 -3.400) 5.904 19.957 ( -4.533 1.394 -0.586) 4.779 20.213 ( 2.012 -2.633 1.077) 3.484 ======================= Grid point 26 (20/90) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -12.156 12.608 15.461) 23.362 2.001 ( -9.489 14.924 17.518) 24.893 2.515 ( 11.581 -5.070 -7.126) 14.513 2.870 ( 5.889 -0.177 6.261) 8.597 3.073 ( -2.087 -6.122 2.127) 6.808 3.182 ( -11.304 11.976 12.279) 20.542 3.453 ( -2.073 -3.254 -4.861) 6.206 3.546 ( 6.474 -2.738 -3.049) 7.662 3.791 ( -3.986 2.813 10.558) 11.631 4.055 ( -2.214 -3.641 0.098) 4.263 4.142 ( -4.087 -5.173 -4.267) 7.853 4.326 ( 3.445 1.740 -4.497) 5.926 4.534 ( 3.411 3.668 -1.873) 5.348 4.756 ( 4.363 0.456 -3.528) 5.629 5.035 ( 7.711 -10.254 -6.137) 14.222 5.345 ( 2.379 6.341 2.571) 7.244 5.853 ( -0.610 -6.180 -4.431) 7.629 6.166 ( -1.784 -2.056 -2.263) 3.540 8.220 ( -1.861 -6.404 0.096) 6.670 8.435 ( 1.778 1.895 -1.550) 3.025 8.587 ( 2.639 2.885 4.231) 5.761 9.039 ( 1.930 -8.667 -6.542) 11.029 9.056 ( -4.243 3.624 -1.325) 5.735 9.251 ( 7.027 -0.440 -2.947) 7.633 9.313 ( -7.759 3.696 4.756) 9.822 9.592 ( -0.044 -0.303 -2.271) 2.292 9.807 ( 5.102 -1.294 -6.816) 8.612 10.137 ( -6.318 7.746 -2.942) 10.420 10.293 ( -4.552 6.224 -0.278) 7.715 10.737 ( 1.333 -7.942 0.049) 8.053 11.255 ( -4.003 10.830 -2.258) 11.764 11.529 ( 1.354 -16.438 -5.318) 17.330 11.757 ( 4.319 -5.314 2.719) 7.368 11.986 ( -6.910 -8.945 -5.004) 12.361 12.104 ( 5.176 -2.745 -4.507) 7.392 12.447 ( 1.544 1.264 3.643) 4.154 12.537 ( -6.524 6.500 -5.439) 10.696 12.828 ( 4.652 -0.375 3.503) 5.835 12.983 ( 0.394 -2.077 -1.586) 2.643 13.050 ( 2.215 -0.039 0.348) 2.243 13.273 ( -3.789 4.752 -5.618) 8.276 13.524 ( 3.189 -2.195 14.661) 15.164 13.595 ( 7.307 -0.161 7.261) 10.303 14.060 ( -12.250 0.887 -1.263) 12.347 14.396 ( -6.200 -7.310 -5.172) 10.892 14.404 ( 4.479 -1.111 1.811) 4.957 14.767 ( -5.609 4.548 -7.558) 10.454 15.264 ( 5.267 9.800 1.278) 11.198 15.544 ( 5.304 6.791 2.067) 8.861 16.046 ( -5.160 1.832 -1.777) 5.757 16.439 ( 0.066 -4.402 6.589) 7.925 16.638 ( 2.591 -2.494 6.892) 7.774 17.731 ( 1.487 2.636 -6.145) 6.850 18.173 ( 7.687 -7.174 -4.950) 11.621 18.395 ( -9.801 -8.311 4.824) 13.725 18.749 ( -3.426 -3.205 -2.567) 5.348 18.825 ( 1.808 12.500 7.289) 14.583 19.100 ( 3.752 7.829 -4.469) 9.764 20.031 ( -2.001 6.270 1.219) 6.694 20.076 ( 1.807 -7.199 2.472) 7.823 ======================= Grid point 27 (21/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -5.093 12.666 16.685) 21.559 2.208 ( -8.806 15.141 17.902) 25.046 2.572 ( 12.388 -6.345 -3.583) 14.372 2.955 ( -2.907 -5.536 -0.400) 6.265 3.023 ( 4.721 -7.960 1.196) 9.331 3.291 ( 0.216 -7.302 -2.558) 7.740 3.406 ( -2.670 17.580 12.109) 21.513 3.572 ( 8.816 -6.028 -5.663) 12.089 3.843 ( -8.338 0.634 3.422) 9.035 3.959 ( -3.806 -6.056 0.570) 7.175 3.993 ( -2.851 -1.453 -2.805) 4.255 4.404 ( 4.035 4.960 5.390) 8.362 4.628 ( 4.355 8.206 -0.756) 9.321 4.731 ( -3.362 -1.322 -3.467) 5.007 4.992 ( 8.229 -2.152 -9.158) 12.499 5.400 ( -4.594 -1.396 3.004) 5.664 5.793 ( 7.182 -5.067 -3.913) 9.622 6.050 ( -5.586 -3.362 -3.756) 7.524 8.154 ( -0.170 -7.119 0.008) 7.121 8.453 ( 0.975 1.097 -0.556) 1.569 8.643 ( -0.006 2.950 -1.890) 3.504 8.831 ( -5.846 -6.720 -7.564) 11.685 9.041 ( -0.687 1.489 1.003) 1.923 9.303 ( 5.912 -2.923 -0.878) 6.653 9.380 ( 0.654 1.468 5.206) 5.449 9.510 ( -3.213 5.723 -10.388) 12.288 9.800 ( 4.702 -1.044 -1.537) 5.056 10.107 ( -6.021 11.398 -0.784) 12.915 10.255 ( -5.840 3.608 -0.907) 6.925 10.724 ( 3.054 -5.332 1.476) 6.319 11.239 ( -3.740 9.233 -4.767) 11.043 11.345 ( 1.710 -15.619 -3.537) 16.105 11.724 ( -5.246 -7.754 -4.829) 10.534 11.854 ( 5.564 -7.704 1.252) 9.586 12.088 ( 3.369 -6.138 -3.875) 8.003 12.386 ( -4.602 3.835 -3.543) 6.960 12.524 ( -2.148 9.692 -3.414) 10.498 12.826 ( -4.600 -5.513 -7.005) 10.031 12.974 ( 4.498 -5.137 9.655) 11.825 13.167 ( 4.609 -3.341 7.942) 9.772 13.229 ( 0.145 2.960 -2.295) 3.748 13.618 ( -7.979 -9.039 1.759) 12.184 13.797 ( 6.844 1.831 7.897) 10.609 13.867 ( -7.963 3.281 4.750) 9.836 14.221 ( -2.076 -2.272 -8.830) 9.351 14.520 ( 8.876 1.032 2.562) 9.296 14.718 ( 1.076 4.767 -4.310) 6.516 15.315 ( -2.619 3.903 -4.021) 6.186 15.698 ( -6.008 11.470 8.852) 15.685 16.042 ( 6.776 6.540 -2.092) 9.647 16.498 ( 0.473 -6.439 8.863) 10.965 16.777 ( 2.142 2.999 7.970) 8.781 17.670 ( 0.903 -5.396 -5.491) 7.751 18.115 ( 5.266 -7.172 -11.324) 14.401 18.230 ( -9.261 -8.020 3.182) 12.657 18.603 ( -2.851 -0.946 -6.270) 6.953 19.006 ( 2.552 6.134 4.826) 8.212 19.266 ( 2.836 15.346 4.605) 16.272 20.031 ( -1.120 -4.020 1.156) 4.330 20.121 ( 1.742 2.384 2.258) 3.717 ======================= Grid point 28 (22/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -0.154 10.471 13.467) 17.060 2.429 ( -3.953 14.156 12.761) 19.464 2.665 ( 5.906 -4.623 5.031) 9.032 2.791 ( -6.607 -3.899 -6.230) 9.882 2.998 ( -5.764 -3.161 3.121) 7.277 3.222 ( 7.239 -11.606 -2.880) 13.978 3.491 ( -1.222 -2.752 -6.243) 6.931 3.632 ( 4.056 -10.852 -5.809) 12.960 3.807 ( 3.612 8.849 10.487) 14.189 3.881 ( -0.241 -1.134 -3.441) 3.631 4.015 ( 1.901 3.153 3.674) 5.202 4.538 ( -6.193 -0.427 -0.318) 6.216 4.628 ( 0.543 5.065 1.873) 5.427 4.736 ( -0.099 9.774 0.589) 9.792 4.985 ( -0.137 -1.551 -2.147) 2.653 5.320 ( -1.365 -3.101 -1.320) 3.636 5.794 ( 1.135 -5.058 -3.882) 6.476 5.940 ( 0.694 -1.458 -1.428) 2.155 8.092 ( 0.183 -6.791 -1.036) 6.872 8.467 ( 0.160 2.096 -0.567) 2.177 8.597 ( -2.230 -1.900 -2.700) 3.984 8.669 ( 0.438 -0.770 -6.416) 6.477 9.068 ( 0.343 0.294 2.456) 2.497 9.267 ( -4.587 -4.048 -1.470) 6.292 9.430 ( 1.335 4.582 -6.170) 7.800 9.503 ( 7.657 3.224 2.450) 8.662 9.851 ( 2.929 1.387 -0.936) 3.374 10.091 ( -7.612 6.921 -0.970) 10.334 10.225 ( -1.880 4.803 2.302) 5.648 10.749 ( 4.435 -5.441 0.299) 7.025 11.163 ( -4.560 0.138 -2.346) 5.130 11.300 ( 6.808 -4.422 -2.308) 8.440 11.509 ( -4.009 -7.644 -7.664) 11.543 11.895 ( 2.415 -5.403 2.364) 6.373 12.015 ( 1.766 -3.233 -5.981) 7.025 12.361 ( -0.323 0.805 1.528) 1.757 12.520 ( -0.259 6.811 -5.815) 8.959 12.635 ( -5.291 -3.564 -4.936) 8.066 13.069 ( 0.147 -7.625 9.131) 11.897 13.260 ( 2.457 2.928 -0.103) 3.823 13.321 ( 7.381 -3.134 6.438) 10.283 13.356 ( -11.889 -4.464 -1.729) 12.817 13.904 ( -1.287 1.486 4.976) 5.350 13.974 ( 3.216 -1.870 -0.431) 3.745 14.104 ( -1.421 1.819 -0.528) 2.368 14.714 ( 0.728 1.063 -3.450) 3.683 14.729 ( 12.385 3.306 3.765) 13.360 15.169 ( -7.488 -0.459 -8.886) 11.629 15.808 ( -8.846 12.733 12.067) 19.647 16.249 ( 9.717 12.534 -0.418) 15.865 16.549 ( -0.215 -8.991 8.934) 12.677 16.893 ( -0.340 4.190 4.271) 5.993 17.527 ( -7.409 -8.166 -2.834) 11.385 17.921 ( 1.976 -10.813 -9.419) 14.475 18.165 ( 4.366 -2.501 -4.845) 6.985 18.522 ( -1.531 -0.429 -2.149) 2.673 19.122 ( 1.217 5.527 2.527) 6.198 19.484 ( 0.551 14.041 7.247) 15.811 19.969 ( -2.683 -6.508 -0.198) 7.042 20.182 ( 1.144 2.476 0.790) 2.839 ======================= Grid point 29 (23/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -6.961 0.301 3.193) 7.664 2.574 ( -5.015 5.082 -8.453) 11.065 2.627 ( -1.073 6.108 6.991) 9.345 2.779 ( -5.957 3.446 11.095) 13.056 2.985 ( -2.771 2.493 8.379) 9.170 3.233 ( 9.058 -11.132 0.663) 14.367 3.310 ( -2.922 -3.212 -9.344) 10.304 3.528 ( 7.531 -13.247 -8.220) 17.314 3.814 ( -0.695 -1.006 -1.076) 1.628 4.051 ( 6.014 5.077 1.004) 7.934 4.185 ( 6.903 3.710 4.335) 8.956 4.408 ( -0.201 -0.028 -1.768) 1.780 4.640 ( -9.046 2.449 -1.341) 9.467 4.731 ( -12.365 -0.411 0.508) 12.382 4.945 ( -3.272 3.240 5.170) 6.924 5.346 ( 6.426 2.344 0.019) 6.840 5.725 ( 1.595 -2.104 -3.566) 4.437 5.948 ( 2.418 -2.770 -0.374) 3.696 8.037 ( 0.733 -3.826 -1.272) 4.098 8.460 ( -1.587 3.675 -2.447) 4.691 8.582 ( 1.826 -1.589 2.269) 3.318 8.626 ( 5.027 -1.794 -4.650) 7.079 9.121 ( 1.534 1.110 3.345) 3.843 9.168 ( -3.126 0.754 -2.293) 3.949 9.410 ( 0.074 -3.932 -0.152) 3.936 9.646 ( 6.244 1.754 -3.153) 7.212 9.873 ( 1.920 0.280 -0.375) 1.976 10.036 ( -6.020 8.208 1.130) 10.241 10.294 ( 1.103 3.212 2.196) 4.045 10.762 ( 5.186 -6.387 -1.182) 8.312 11.108 ( -2.790 1.079 1.849) 3.516 11.315 ( 0.389 -4.518 -7.819) 9.039 11.369 ( 6.242 -3.233 -0.443) 7.044 11.851 ( -5.450 -2.984 0.473) 6.231 11.992 ( 5.649 2.095 -5.763) 8.337 12.421 ( 2.816 -3.940 7.226) 8.699 12.444 ( -2.779 -6.342 -0.771) 6.967 12.581 ( 2.789 8.838 -6.200) 11.150 13.064 ( -4.633 -5.382 4.251) 8.277 13.224 ( -0.429 2.000 -2.047) 2.894 13.317 ( 0.812 2.323 -0.036) 2.461 13.516 ( 9.790 -2.110 7.923) 12.770 13.880 ( 0.369 0.145 -9.049) 9.058 13.936 ( -3.505 1.399 2.774) 4.684 14.153 ( -2.285 -1.097 4.729) 5.366 14.648 ( -5.361 -3.059 -1.226) 6.293 14.943 ( -1.691 -0.309 -9.921) 10.069 15.001 ( 11.342 1.127 5.376) 12.601 15.922 ( -9.531 14.198 7.594) 18.711 16.383 ( -0.082 8.061 -6.409) 10.299 16.545 ( -4.205 -10.311 9.140) 14.406 17.014 ( 7.144 2.577 6.076) 9.726 17.266 ( -15.165 -4.313 -1.888) 15.879 17.861 ( 10.963 -6.932 -6.153) 14.356 18.150 ( 5.475 -1.379 -5.579) 7.938 18.477 ( -2.661 -0.502 -0.675) 2.790 19.186 ( -0.229 4.027 -0.118) 4.036 19.673 ( -1.339 10.135 7.792) 12.854 19.853 ( -3.379 -7.125 -1.434) 8.015 20.210 ( 0.097 1.152 0.055) 1.157 ======================= Grid point 30 (24/90) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -17.868 -2.182 -0.203) 18.002 2.376 ( -16.420 8.015 -6.202) 19.296 2.719 ( 1.716 -1.608 1.524) 2.802 2.924 ( 0.191 12.295 7.486) 14.396 2.972 ( -4.108 -7.756 -1.470) 8.899 3.244 ( 7.210 -2.594 -2.851) 8.176 3.332 ( 7.080 -2.631 -2.249) 7.881 3.460 ( 4.035 -3.967 3.401) 6.602 3.805 ( 0.312 -1.063 1.175) 1.615 4.129 ( 4.291 0.334 -6.007) 7.390 4.213 ( 4.126 2.162 -3.363) 5.745 4.351 ( -28.700 -0.629 1.370) 28.740 4.559 ( -2.239 -5.725 1.541) 6.338 4.620 ( 8.157 4.228 6.645) 11.339 4.983 ( -1.026 1.222 -0.402) 1.645 5.508 ( 7.097 7.630 1.274) 10.498 5.672 ( 0.374 -5.550 -2.682) 6.175 5.970 ( 4.023 -1.133 0.046) 4.180 8.033 ( 2.058 -0.082 0.105) 2.062 8.448 ( -0.516 2.882 -1.502) 3.290 8.578 ( -0.683 -0.306 -0.327) 0.817 8.735 ( 10.627 -0.428 2.327) 10.887 9.123 ( 0.594 1.144 -2.934) 3.205 9.213 ( 0.112 3.748 1.859) 4.185 9.342 ( -2.622 -11.759 4.721) 12.940 9.622 ( 2.489 -1.965 -4.573) 5.565 9.909 ( 3.404 -1.027 -3.300) 4.851 10.090 ( -1.357 11.121 1.983) 11.378 10.339 ( -0.021 -0.160 1.974) 1.981 10.766 ( 5.113 -5.293 -2.029) 7.634 11.151 ( 0.717 3.377 2.414) 4.213 11.215 ( 3.030 -3.924 -3.161) 5.880 11.483 ( 7.631 1.023 3.584) 8.493 11.751 ( -6.186 0.477 -0.444) 6.221 12.043 ( 7.499 3.261 -5.073) 9.623 12.376 ( -1.600 -5.241 3.008) 6.251 12.539 ( 4.988 -5.090 8.131) 10.812 12.657 ( 6.670 5.702 -1.919) 8.983 13.018 ( -3.359 -0.844 1.785) 3.896 13.201 ( -1.787 2.057 -6.045) 6.631 13.336 ( 1.251 5.078 -2.545) 5.816 13.696 ( 1.398 -1.639 5.554) 5.957 13.795 ( -0.038 5.572 -9.171) 10.731 13.963 ( 5.564 -1.794 4.099) 7.140 14.099 ( -6.445 -1.476 0.227) 6.615 14.509 ( -8.332 -6.823 2.351) 11.023 14.811 ( 1.117 -1.933 -7.726) 8.042 15.263 ( 11.217 0.621 6.656) 13.058 15.898 ( -14.519 10.030 -1.264) 17.692 16.256 ( -5.027 2.614 -10.642) 12.057 16.499 ( -4.410 -12.384 6.854) 14.825 17.024 ( -17.073 5.865 6.822) 19.298 17.316 ( 18.196 -0.173 3.419) 18.515 17.867 ( 7.170 -5.009 -7.170) 11.310 18.213 ( 7.505 3.044 1.225) 8.190 18.411 ( -5.975 -0.160 -0.007) 5.978 19.155 ( -4.291 0.827 -3.818) 5.803 19.660 ( -6.430 -4.881 -1.123) 8.150 19.875 ( 2.966 4.235 4.420) 6.803 20.211 ( -0.818 -0.277 0.653) 1.082 ======================= Grid point 31 (25/90) ======================= q-point: (-0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -22.103 2.433 4.516) 22.690 2.118 ( -22.202 9.073 -2.016) 24.069 2.672 ( 0.741 -0.460 -10.975) 11.010 2.875 ( 2.294 -8.013 0.917) 8.385 3.066 ( -4.288 4.827 3.544) 7.365 3.227 ( 8.513 -3.751 -5.857) 10.993 3.398 ( 7.646 0.829 -0.165) 7.692 3.594 ( -7.063 0.679 10.513) 12.683 3.838 ( -0.648 1.795 4.043) 4.471 3.993 ( -23.585 2.040 5.767) 24.365 4.100 ( 6.339 -1.383 -6.103) 8.907 4.285 ( 6.588 4.257 -4.661) 9.124 4.489 ( -2.215 -5.473 2.547) 6.431 4.874 ( 7.641 3.620 4.248) 9.462 4.928 ( 6.737 -5.897 -7.576) 11.728 5.459 ( -9.344 -3.979 -3.327) 10.687 5.783 ( 12.628 2.879 1.624) 13.054 6.032 ( 2.956 1.169 1.253) 3.417 8.093 ( 3.584 2.281 1.720) 4.583 8.442 ( -0.720 0.346 -0.941) 1.235 8.564 ( -2.635 0.571 1.134) 2.925 8.920 ( 10.449 1.451 1.244) 10.623 9.100 ( -5.877 -2.584 -2.726) 6.975 9.123 ( 0.659 -1.547 -0.235) 1.698 9.429 ( 5.228 -1.459 8.954) 10.471 9.617 ( 3.798 -3.214 -1.325) 5.149 9.837 ( 0.144 -5.283 -7.471) 9.151 10.199 ( 0.140 11.133 1.815) 11.280 10.337 ( -1.473 -1.531 0.498) 2.182 10.776 ( 6.504 -5.551 -2.207) 8.831 11.162 ( 0.242 5.942 -3.673) 6.990 11.315 ( 6.830 -3.483 6.865) 10.291 11.633 ( 0.268 4.922 4.208) 6.481 11.747 ( 5.731 1.653 3.155) 6.748 12.107 ( 7.736 2.504 -6.666) 10.514 12.395 ( 1.030 -4.875 7.735) 9.201 12.667 ( 6.483 -3.713 5.711) 9.404 12.801 ( 7.103 3.526 2.586) 8.340 12.951 ( -5.155 -0.646 -5.882) 7.848 13.076 ( -4.403 1.657 -6.842) 8.303 13.335 ( 0.956 3.209 -6.611) 7.411 13.615 ( -10.329 -2.194 -2.532) 10.859 13.740 ( -5.055 10.441 -5.428) 12.808 14.038 ( -3.450 2.288 6.106) 7.377 14.205 ( 16.909 -0.267 5.453) 17.768 14.377 ( -5.867 -7.744 1.817) 9.884 14.743 ( 1.059 -5.010 -1.608) 5.367 15.428 ( 1.931 0.324 1.579) 2.515 15.694 ( -11.609 0.105 -5.448) 12.824 16.089 ( -6.085 7.048 -7.657) 12.055 16.426 ( -1.678 -11.612 5.645) 13.020 16.945 ( -10.904 4.483 1.489) 11.883 17.597 ( 16.967 -0.817 1.123) 17.023 17.863 ( 4.220 -0.241 -0.366) 4.243 18.323 ( -9.070 1.239 3.619) 9.844 18.403 ( 8.517 5.131 4.171) 10.782 18.990 ( -9.241 -2.278 -5.506) 10.995 19.517 ( -3.688 -5.226 -3.877) 7.480 19.975 ( 1.936 2.739 0.910) 3.475 20.203 ( -0.695 -2.215 1.233) 2.629 ======================= Grid point 32 (26/90) ======================= q-point: (-0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -20.300 8.606 11.756) 24.987 1.893 ( -22.798 11.142 4.998) 25.863 2.553 ( 4.803 -1.895 -11.555) 12.656 2.820 ( 1.471 -3.826 -6.603) 7.772 3.070 ( -6.148 -0.864 10.096) 11.852 3.289 ( 7.868 0.160 -4.231) 8.935 3.430 ( -24.403 2.246 8.715) 26.009 3.533 ( 4.068 2.602 3.306) 5.852 3.808 ( -3.327 -4.008 -0.805) 5.271 3.989 ( -1.101 5.981 5.880) 8.459 4.180 ( 7.735 0.043 2.147) 8.027 4.313 ( 1.556 2.821 -5.756) 6.596 4.478 ( 4.649 -3.804 -0.636) 6.041 4.818 ( 6.862 -8.466 -9.287) 14.318 5.089 ( 9.649 3.811 -0.068) 10.374 5.243 ( -8.024 -7.731 -2.573) 11.436 5.956 ( 6.556 1.111 -0.588) 6.675 6.099 ( 2.715 2.112 2.088) 4.024 8.210 ( 5.666 4.018 2.795) 7.487 8.398 ( -2.442 -4.022 -0.311) 4.716 8.529 ( -4.116 0.721 0.177) 4.182 8.963 ( -2.463 -0.202 1.669) 2.982 9.103 ( 2.484 4.899 0.158) 5.495 9.149 ( 4.958 -1.637 -0.471) 5.242 9.595 ( 5.490 -3.454 4.728) 8.027 9.627 ( 4.520 -0.883 -0.607) 4.645 9.674 ( -2.719 -7.092 -6.998) 10.328 10.289 ( -3.240 1.911 -2.302) 4.410 10.294 ( -0.839 7.194 0.851) 7.292 10.797 ( 7.863 -8.159 -2.538) 11.612 11.182 ( -3.219 10.207 -0.344) 10.708 11.457 ( 7.101 -3.861 5.378) 9.708 11.729 ( 3.981 1.322 2.794) 5.040 11.929 ( 6.564 -0.509 8.309) 10.602 12.137 ( 7.980 2.843 -8.369) 11.908 12.502 ( 3.608 -5.253 8.872) 10.924 12.690 ( -9.817 -1.496 -12.558) 16.010 12.803 ( 7.143 -0.572 1.229) 7.271 12.900 ( -3.900 2.368 -3.243) 5.598 13.011 ( 3.590 0.899 2.556) 4.498 13.301 ( 1.477 -0.617 -1.788) 2.400 13.425 ( -10.162 1.890 -1.977) 10.523 13.633 ( -8.049 8.213 -9.381) 14.840 14.126 ( -1.543 4.074 5.506) 7.021 14.287 ( -1.023 -5.922 2.077) 6.358 14.557 ( 16.317 6.588 9.958) 20.219 14.706 ( -1.300 -8.263 3.363) 9.016 15.309 ( -15.086 5.060 -7.248) 17.486 15.513 ( 1.837 -7.305 -7.328) 10.509 16.064 ( -2.016 8.457 0.417) 8.704 16.404 ( 0.271 -8.409 5.241) 9.913 16.792 ( -7.873 -3.246 -4.641) 9.698 17.757 ( 5.926 4.799 -4.753) 8.985 17.982 ( 10.052 -3.020 3.858) 11.183 18.325 ( -6.352 6.636 11.632) 14.822 18.591 ( 5.300 0.802 4.574) 7.047 18.778 ( -9.309 -0.188 -3.431) 9.923 19.368 ( -2.134 -4.827 -7.882) 9.485 20.001 ( -0.848 2.883 -0.710) 3.088 20.173 ( -0.326 -5.377 -0.418) 5.403 ======================= Grid point 35 (27/90) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -1.033 5.396 2.771) 6.153 2.137 ( 13.500 -6.703 -3.223) 15.413 2.370 ( -0.061 5.747 7.146) 9.170 2.676 ( 6.106 -3.921 4.715) 8.654 3.129 ( -7.480 -4.519 3.570) 9.440 3.282 ( 9.294 2.080 -8.297) 12.631 3.457 ( -6.334 -3.765 -1.238) 7.472 3.626 ( -6.703 6.909 3.911) 10.391 3.985 ( 5.850 -4.350 -5.745) 9.281 4.079 ( -4.651 0.635 5.894) 7.535 4.151 ( -6.540 -6.556 -0.818) 9.297 4.282 ( 1.752 7.959 6.772) 10.596 4.396 ( 13.630 -3.030 -6.551) 15.423 4.581 ( 0.513 7.497 -0.206) 7.517 4.990 ( -8.752 -6.357 1.614) 10.937 5.321 ( 10.893 7.379 -0.064) 13.157 5.859 ( -9.085 -3.542 -0.882) 9.791 6.129 ( -0.264 -2.471 -2.480) 3.511 8.206 ( -4.037 -5.582 -1.285) 7.008 8.409 ( 2.482 4.386 -1.777) 5.343 8.592 ( 4.347 -0.197 1.605) 4.638 8.950 ( -3.212 -3.056 -0.615) 4.476 9.107 ( -3.418 0.135 -2.056) 3.991 9.142 ( 2.649 -0.659 -2.397) 3.632 9.496 ( -5.936 5.141 2.560) 8.259 9.580 ( -1.461 1.211 -1.663) 2.523 9.668 ( 4.501 -0.168 -1.895) 4.886 10.253 ( -2.662 6.192 0.202) 6.743 10.371 ( -2.232 -0.307 -2.003) 3.015 10.664 ( -0.085 -3.782 2.806) 4.710 11.317 ( 0.637 -8.775 -2.909) 9.266 11.384 ( -4.843 2.844 -3.387) 6.559 11.732 ( -0.256 -2.221 0.769) 2.364 11.958 ( -7.423 -2.121 -10.902) 13.358 12.020 ( -1.033 -4.788 4.187) 6.443 12.493 ( -0.649 2.729 0.687) 2.888 12.625 ( -1.026 5.987 2.429) 6.542 12.777 ( 1.576 0.950 -2.470) 3.080 12.943 ( 0.949 -5.623 1.570) 5.915 13.016 ( 1.404 -1.722 0.319) 2.245 13.278 ( -2.627 3.936 -5.135) 6.983 13.540 ( 9.604 -1.864 4.831) 10.911 13.630 ( 4.688 -6.476 15.367) 17.322 14.184 ( -4.717 2.508 -2.798) 6.031 14.291 ( 2.859 -2.096 -1.272) 3.766 14.471 ( -15.121 -4.834 -6.155) 17.026 14.736 ( -1.043 4.124 -8.504) 9.509 15.354 ( 0.137 8.387 6.044) 10.339 15.468 ( 14.608 3.974 2.908) 15.416 16.106 ( -3.896 -4.707 0.837) 6.167 16.427 ( 2.588 -0.035 -0.888) 2.736 16.735 ( 2.515 4.118 10.321) 11.393 17.693 ( -4.315 0.720 -4.473) 6.256 17.984 ( 2.342 -4.654 -3.742) 6.415 18.498 ( -5.856 -9.632 2.459) 11.538 18.642 ( -0.346 3.080 -16.484) 16.773 18.855 ( 7.397 -1.867 4.206) 8.712 19.206 ( 0.676 11.145 9.876) 14.907 20.026 ( 0.171 -5.303 1.275) 5.457 20.120 ( -0.007 6.375 1.141) 6.476 ======================= Grid point 36 (28/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 8.529 2.400 -1.612) 9.006 2.263 ( 7.647 -2.251 5.384) 9.619 2.575 ( 3.276 8.715 12.045) 15.224 2.780 ( 6.925 -7.011 2.771) 10.237 3.031 ( -7.776 -1.402 2.862) 8.404 3.297 ( 6.043 -0.831 -10.062) 11.766 3.318 ( -4.551 -6.051 -0.656) 7.600 3.650 ( -3.278 7.108 0.842) 7.873 3.890 ( -4.385 -5.853 -3.926) 8.301 3.978 ( -5.754 -2.865 -0.804) 6.478 4.089 ( -5.263 -1.124 6.678) 8.576 4.487 ( 5.497 6.270 4.550) 9.499 4.547 ( 21.987 -1.738 -7.965) 23.449 4.693 ( 0.323 11.740 5.420) 12.934 4.817 ( -8.149 -4.720 -2.372) 9.711 5.522 ( 4.367 6.134 2.787) 8.029 5.662 ( -7.161 -7.037 -2.199) 10.278 6.040 ( -3.503 -3.305 -3.488) 5.947 8.107 ( -1.743 -5.194 -1.460) 5.670 8.445 ( 1.106 2.058 -0.554) 2.401 8.623 ( 1.150 -1.117 -2.421) 2.903 8.816 ( -8.677 -2.333 -2.990) 9.469 9.073 ( -1.085 0.391 1.114) 1.604 9.189 ( 7.297 1.346 -0.878) 7.472 9.463 ( -4.819 -0.263 -5.997) 7.698 9.505 ( -3.540 5.506 0.211) 6.549 9.753 ( 3.014 2.057 3.547) 5.089 10.260 ( -3.897 5.242 -1.202) 6.641 10.307 ( -2.292 1.435 -1.863) 3.284 10.676 ( 0.377 -4.092 3.710) 5.536 11.201 ( -0.438 -10.487 -0.736) 10.522 11.292 ( -4.531 4.891 -5.909) 8.909 11.699 ( -8.570 -5.481 -7.810) 12.825 11.753 ( 4.536 -3.614 1.806) 6.074 12.014 ( -1.393 -4.456 2.043) 5.096 12.422 ( -2.973 2.551 -4.738) 6.148 12.604 ( -5.188 11.179 -7.059) 14.203 12.773 ( -5.243 -5.533 -3.352) 8.327 12.962 ( 6.836 -4.955 9.193) 12.481 13.105 ( 5.325 -3.355 2.869) 6.917 13.275 ( 0.048 2.123 3.457) 4.057 13.681 ( 0.243 -5.585 4.249) 7.022 13.792 ( 5.609 -7.757 9.988) 13.835 14.023 ( -12.810 2.966 -4.225) 13.811 14.140 ( -1.142 -1.648 -6.330) 6.640 14.446 ( 7.742 5.969 -0.954) 9.822 14.697 ( -0.590 3.073 -2.048) 3.740 15.375 ( -5.850 4.226 -3.003) 7.817 15.801 ( 15.303 8.748 5.197) 18.378 16.059 ( -3.315 -2.602 6.445) 7.701 16.471 ( 5.048 -0.857 0.016) 5.120 16.949 ( 0.994 5.251 12.520) 13.613 17.536 ( -3.242 -5.129 -8.743) 10.643 17.898 ( 0.965 -3.925 -7.930) 8.901 18.336 ( -10.987 -8.642 0.932) 14.009 18.503 ( 3.257 0.993 -9.459) 10.053 19.021 ( 6.738 2.811 4.402) 8.525 19.424 ( 2.528 11.157 7.337) 13.591 19.995 ( -0.277 -5.678 0.562) 5.713 20.178 ( -0.308 4.829 0.814) 4.907 ======================= Grid point 37 (29/90) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 9.921 1.625 -1.350) 10.144 2.415 ( 2.960 0.287 7.063) 7.664 2.779 ( -0.521 -2.420 -1.014) 2.675 2.872 ( 6.923 5.943 12.483) 15.463 3.001 ( -4.285 1.525 6.316) 7.784 3.187 ( -6.795 1.580 -1.812) 7.208 3.237 ( 6.832 -10.152 -8.496) 14.896 3.512 ( -6.505 -6.282 -11.465) 14.602 3.825 ( 0.681 -0.348 -2.096) 2.231 3.976 ( -1.961 3.414 9.182) 9.991 4.092 ( -2.916 0.854 5.300) 6.110 4.557 ( -6.761 -2.791 -5.997) 9.458 4.639 ( 3.712 3.953 -1.595) 5.652 4.766 ( 17.960 0.265 -5.053) 18.659 4.912 ( 1.629 7.476 8.329) 11.310 5.405 ( -12.411 -2.803 -0.312) 12.727 5.684 ( 4.639 -2.727 -0.123) 5.383 5.934 ( -2.723 -0.318 -1.815) 3.288 8.037 ( -0.704 -3.719 -1.167) 3.961 8.463 ( 1.168 -0.082 0.052) 1.172 8.578 ( -1.567 -1.745 -1.350) 2.706 8.649 ( -6.417 0.725 -4.266) 7.739 9.093 ( 0.432 -0.190 2.652) 2.694 9.259 ( -0.933 -4.435 -0.796) 4.601 9.368 ( 2.661 9.813 -7.479) 12.622 9.526 ( -0.452 1.255 4.703) 4.888 9.835 ( 0.711 1.438 2.251) 2.764 10.185 ( -2.667 -2.647 -2.364) 4.440 10.307 ( -2.464 6.514 -0.352) 6.973 10.685 ( 0.044 -3.664 2.261) 4.305 11.155 ( 0.670 -6.011 3.235) 6.859 11.216 ( 0.071 3.383 -5.417) 6.387 11.454 ( -7.639 -4.074 -6.669) 10.928 11.828 ( 5.679 -1.402 1.258) 5.983 11.962 ( -2.877 -4.557 1.171) 5.516 12.384 ( -0.210 2.274 -0.806) 2.422 12.530 ( -3.654 8.608 -8.765) 12.817 12.618 ( -4.280 -5.970 -1.013) 7.416 13.080 ( 3.804 -2.256 2.633) 5.147 13.176 ( 3.325 -2.870 3.377) 5.540 13.329 ( -0.453 -2.515 2.228) 3.390 13.549 ( -12.727 -3.862 6.416) 14.766 13.859 ( 3.023 -2.283 -5.736) 6.874 13.955 ( 0.871 2.085 0.949) 2.451 14.143 ( 2.800 0.779 3.052) 4.214 14.613 ( 9.466 6.741 -2.930) 11.985 14.717 ( 1.064 0.188 5.101) 5.214 15.197 ( -10.938 -0.429 -7.728) 13.399 16.117 ( 0.232 1.315 5.342) 5.507 16.132 ( 11.297 7.494 6.350) 14.970 16.546 ( 4.302 -1.049 2.031) 4.872 17.070 ( -8.722 4.966 5.169) 11.290 17.390 ( 8.695 -8.566 -6.824) 13.983 17.765 ( -3.941 -2.421 -6.298) 7.814 18.134 ( -7.846 -4.002 -1.220) 8.892 18.487 ( 2.401 0.193 -2.420) 3.415 19.158 ( 2.841 2.535 2.807) 4.730 19.630 ( 3.694 10.017 5.179) 11.866 19.929 ( -1.443 -6.939 -1.411) 7.227 20.207 ( -0.221 2.304 0.063) 2.316 ======================= Grid point 38 (30/90) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -0.000 -0.000 0.000) 0.000 2.480 ( 0.000 -0.000 -0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 -0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.206 ( -0.000 -0.000 -0.000) 0.000 3.221 ( 0.000 -0.000 0.000) 0.000 3.807 ( 0.000 -0.000 0.000) 0.000 4.035 ( 0.000 0.000 -0.000) 0.000 4.183 ( 0.000 -0.000 -0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 -0.000 -0.000) 0.000 4.887 ( -0.000 -0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 -0.000 -0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 -0.000 0.000) 0.000 8.479 ( 0.000 -0.000 0.000) 0.000 8.537 ( 0.000 0.000 -0.000) 0.000 8.582 ( 0.000 -0.000 0.000) 0.000 9.132 ( 0.000 0.000 0.000) 0.000 9.187 ( 0.000 -0.000 0.000) 0.000 9.391 ( 0.000 0.000 -0.000) 0.000 9.591 ( 0.000 -0.000 -0.000) 0.000 9.849 ( 0.000 -0.000 -0.000) 0.000 10.133 ( 0.000 0.000 0.000) 0.000 10.315 ( 0.000 -0.000 0.000) 0.000 10.681 ( 0.000 -0.000 -0.000) 0.000 11.154 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000 11.305 ( -0.000 -0.000 -0.000) 0.000 11.891 ( 0.000 0.000 -0.000) 0.000 11.912 ( -0.000 -0.000 0.000) 0.000 12.419 ( 0.000 0.000 0.000) 0.000 12.445 ( -0.000 0.000 -0.000) 0.000 12.562 ( 0.000 -0.000 -0.000) 0.000 13.124 ( 0.000 -0.000 0.000) 0.000 13.186 ( 0.000 0.000 -0.000) 0.000 13.319 ( 0.000 0.000 0.000) 0.000 13.498 ( -0.000 -0.000 0.000) 0.000 13.820 ( 0.000 0.000 -0.000) 0.000 13.984 ( 0.000 -0.000 -0.000) 0.000 14.199 ( 0.000 0.000 0.000) 0.000 14.666 ( 0.000 -0.000 0.000) 0.000 14.896 ( 0.000 0.000 0.000) 0.000 14.949 ( -0.000 -0.000 -0.000) 0.000 16.160 ( 0.000 -0.000 -0.000) 0.000 16.311 ( -0.000 0.000 0.000) 0.000 16.591 ( 0.000 -0.000 0.000) 0.000 17.003 ( 0.000 -0.000 0.000) 0.000 17.432 ( 0.000 -0.000 -0.000) 0.000 17.651 ( -0.000 0.000 -0.000) 0.000 18.057 ( 0.000 0.000 -0.000) 0.000 18.492 ( 0.000 0.000 -0.000) 0.000 19.204 ( 0.000 0.000 0.000) 0.000 19.795 ( -0.000 -0.000 -0.000) 0.000 19.816 ( 0.000 0.000 0.000) 0.000 20.214 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 76 (31/90) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 -0.000 27.169) 27.169 1.053 ( 0.000 -0.000 27.169) 27.169 1.767 ( 0.000 -0.000 45.802) 45.802 2.957 ( 0.000 -0.000 4.502) 4.502 2.957 ( 0.000 -0.000 4.502) 4.502 3.169 ( 0.000 -0.000 1.524) 1.524 3.544 ( 0.000 -0.000 2.501) 2.501 3.864 ( 0.000 0.000 -1.015) 1.015 3.864 ( -0.000 0.000 -1.015) 1.015 4.076 ( -0.000 0.000 -1.378) 1.378 4.227 ( -0.000 0.000 -11.033) 11.033 4.227 ( -0.000 0.000 -11.033) 11.033 4.776 ( -0.000 0.000 -1.597) 1.597 4.776 ( -0.000 0.000 -1.597) 1.597 4.980 ( -0.000 0.000 -2.236) 2.236 5.642 ( 0.000 -0.000 1.364) 1.364 6.124 ( -0.000 0.000 -5.340) 5.340 6.124 ( -0.000 0.000 -5.340) 5.340 8.414 ( 0.000 0.000 -0.522) 0.522 8.414 ( 0.000 0.000 -0.522) 0.522 8.835 ( 0.000 -0.000 3.721) 3.721 8.893 ( 0.000 -0.000 4.672) 4.672 8.893 ( 0.000 -0.000 4.672) 4.672 9.135 ( -0.000 0.000 -8.744) 8.744 9.647 ( -0.000 0.000 -2.762) 2.762 9.647 ( -0.000 0.000 -2.762) 2.762 9.829 ( -0.000 0.000 -8.150) 8.150 10.019 ( -0.000 0.000 -7.244) 7.244 10.019 ( -0.000 0.000 -7.244) 7.244 10.856 ( 0.000 -0.000 2.215) 2.215 10.856 ( 0.000 -0.000 2.215) 2.215 11.969 ( -0.000 0.000 -4.492) 4.492 11.969 ( -0.000 0.000 -4.492) 4.492 12.304 ( -0.000 0.000 -7.529) 7.529 12.304 ( -0.000 0.000 -7.529) 7.529 12.368 ( -0.000 0.000 -12.523) 12.523 12.591 ( 0.000 -0.000 1.191) 1.191 12.827 ( 0.000 -0.000 2.821) 2.821 13.011 ( 0.000 -0.000 8.760) 8.760 13.013 ( 0.000 -0.000 7.907) 7.907 13.013 ( 0.000 -0.000 7.907) 7.907 13.301 ( 0.000 -0.000 12.955) 12.955 13.610 ( 0.000 -0.000 9.382) 9.382 14.124 ( -0.000 0.000 -9.206) 9.206 14.124 ( -0.000 0.000 -9.206) 9.206 14.622 ( 0.000 -0.000 6.404) 6.404 14.622 ( 0.000 -0.000 6.404) 6.404 15.147 ( -0.000 0.000 -9.257) 9.257 15.688 ( 0.000 0.000 -1.452) 1.452 15.688 ( 0.000 0.000 -1.452) 1.452 16.614 ( 0.000 -0.000 2.176) 2.176 16.614 ( 0.000 -0.000 2.176) 2.176 17.898 ( -0.000 0.000 -1.598) 1.598 18.187 ( 0.000 -0.000 12.971) 12.971 18.187 ( 0.000 -0.000 12.971) 12.971 18.846 ( -0.000 0.000 -3.550) 3.550 18.846 ( -0.000 0.000 -3.550) 3.550 18.923 ( -0.000 0.000 -12.812) 12.812 19.784 ( 0.000 -0.000 2.936) 2.936 20.287 ( 0.000 -0.000 1.708) 1.708 ======================= Grid point 77 (32/90) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 5.022 4.105 24.105) 24.962 1.526 ( 13.130 2.540 23.259) 26.830 2.440 ( 13.333 9.654 36.621) 40.150 2.832 ( -10.226 -6.031 1.363) 11.950 3.108 ( 4.085 1.628 1.866) 4.777 3.182 ( -2.487 0.049 2.615) 3.609 3.536 ( -2.876 -3.790 2.550) 5.398 3.744 ( -7.816 -1.176 -2.481) 8.284 3.883 ( -9.496 -2.108 -1.418) 9.830 3.975 ( 7.006 1.378 -1.707) 7.341 4.129 ( 4.261 -3.788 -6.547) 8.682 4.241 ( 4.733 7.133 -5.502) 10.176 4.651 ( -8.437 -1.479 -4.270) 9.571 4.752 ( 1.612 -2.779 -2.588) 4.126 5.022 ( 6.840 3.694 -4.175) 8.824 5.556 ( -10.411 -5.689 -0.051) 11.864 5.992 ( -4.302 -1.572 -6.468) 7.926 6.117 ( 4.078 1.695 -4.384) 6.223 8.330 ( -3.134 -1.689 -0.684) 3.626 8.497 ( 4.300 2.276 1.324) 5.042 8.628 ( -15.097 -4.523 -1.395) 15.822 8.922 ( 4.200 -3.463 2.123) 5.843 9.029 ( 8.804 -7.986 3.927) 12.518 9.192 ( 1.599 16.926 -7.508) 18.586 9.461 ( -9.063 -5.663 -7.529) 13.073 9.629 ( 0.637 3.345 -3.284) 4.730 9.803 ( 4.184 0.441 -7.017) 8.182 9.976 ( -0.629 2.048 -6.206) 6.565 10.014 ( 9.542 -0.627 1.604) 9.696 10.843 ( -1.120 4.158 0.168) 4.310 10.961 ( 7.502 0.321 -1.066) 7.584 11.822 ( -5.184 -0.778 -7.380) 9.052 11.931 ( -2.423 -4.514 -0.911) 5.204 12.143 ( -5.986 3.151 -6.426) 9.330 12.175 ( -0.916 -6.464 -9.607) 11.616 12.318 ( 5.410 6.872 -10.525) 13.685 12.495 ( -2.846 -2.174 -3.172) 4.784 12.909 ( -2.675 -3.523 8.852) 9.896 13.033 ( 0.439 -5.820 5.257) 7.855 13.072 ( -4.592 3.600 4.920) 7.632 13.176 ( 1.963 -0.885 7.651) 7.948 13.533 ( 2.518 1.394 17.212) 17.451 13.699 ( -2.686 -1.099 8.057) 8.564 13.895 ( 2.335 -1.713 -9.099) 9.549 14.240 ( 11.213 11.097 -10.327) 18.855 14.583 ( -5.661 -7.020 4.185) 9.942 14.733 ( -3.786 8.087 4.024) 9.794 15.061 ( 5.746 -5.388 -6.168) 10.004 15.560 ( -3.567 -3.309 -0.850) 4.939 15.836 ( 8.254 6.464 0.326) 10.489 16.577 ( -4.489 -1.568 5.398) 7.193 16.710 ( 1.116 1.824 3.980) 4.518 17.796 ( -6.534 -6.149 -1.754) 9.142 18.345 ( 4.212 3.205 7.580) 9.245 18.417 ( -1.455 2.977 9.427) 9.993 18.614 ( -1.886 -10.727 -2.466) 11.168 18.815 ( -1.915 5.421 -3.863) 6.926 18.930 ( 7.415 3.714 -8.703) 12.022 19.860 ( 3.722 1.437 3.096) 5.050 20.267 ( -4.068 -1.125 0.979) 4.333 ======================= Grid point 78 (33/90) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 10.026 7.508 19.705) 23.350 1.987 ( 14.549 0.878 17.558) 22.819 2.565 ( -14.630 -7.327 -3.039) 16.642 2.986 ( -4.442 -8.189 7.751) 12.118 3.160 ( 6.803 8.881 9.552) 14.710 3.189 ( 1.451 1.638 -2.444) 3.280 3.440 ( -4.754 -2.988 0.899) 5.686 3.612 ( -8.352 3.245 -1.440) 9.075 3.884 ( 4.010 2.135 11.465) 12.332 4.038 ( 4.772 -0.398 -3.607) 5.995 4.151 ( 5.718 -2.818 0.598) 6.403 4.266 ( -1.626 6.765 -2.496) 7.392 4.474 ( -4.384 -3.339 -5.200) 7.578 4.689 ( -2.703 -4.798 -5.725) 7.944 5.063 ( 1.606 4.466 -5.353) 7.154 5.335 ( -8.732 -9.793 1.129) 13.170 5.866 ( -1.998 1.882 -5.115) 5.805 6.130 ( 2.589 0.786 -3.892) 4.740 8.296 ( -0.902 0.450 0.501) 1.125 8.403 ( -6.771 -3.876 -4.938) 9.233 8.592 ( 2.837 0.998 2.608) 3.981 8.966 ( 6.190 -2.908 -1.910) 7.101 9.064 ( -1.132 -0.577 -2.697) 2.981 9.158 ( -1.744 -0.645 -7.918) 8.133 9.348 ( 0.604 5.561 2.043) 5.955 9.610 ( -2.430 5.571 -3.257) 6.896 9.803 ( -1.165 -2.628 1.344) 3.173 9.923 ( 7.553 0.463 -6.776) 10.158 10.187 ( 9.559 1.515 1.447) 9.786 10.858 ( -3.714 5.253 -0.075) 6.433 11.054 ( 10.359 -0.571 -3.125) 10.835 11.656 ( -7.077 2.729 -7.038) 10.347 11.817 ( -4.110 -7.399 -0.207) 8.467 11.972 ( -4.089 -5.193 -7.309) 9.854 12.070 ( 0.168 5.761 -6.906) 8.994 12.375 ( 8.729 8.498 -6.799) 13.952 12.440 ( 1.499 -0.419 -3.663) 3.980 12.839 ( -4.157 -10.706 1.506) 11.583 13.075 ( -4.051 2.157 4.689) 6.562 13.120 ( -1.945 -1.778 9.537) 9.895 13.189 ( -2.676 -3.752 0.623) 4.650 13.718 ( -4.080 -3.613 10.533) 11.860 13.762 ( 0.583 -2.623 14.085) 14.338 13.934 ( 9.401 3.791 -3.547) 10.739 14.297 ( 5.472 0.356 -11.365) 12.619 14.510 ( -4.330 11.700 -3.048) 12.843 14.729 ( -6.669 6.173 -1.957) 9.296 15.098 ( 10.471 -6.728 1.717) 12.564 15.503 ( -1.076 -7.132 2.988) 7.807 16.028 ( 6.511 8.383 3.068) 11.049 16.577 ( -4.701 -2.395 5.659) 7.737 16.773 ( -2.686 1.580 6.608) 7.306 17.619 ( -3.220 -8.112 -4.605) 9.868 18.249 ( -10.506 -0.933 -6.799) 12.549 18.473 ( 4.245 1.982 -1.102) 4.813 18.661 ( 0.228 -4.472 0.469) 4.502 18.913 ( 6.467 5.535 11.545) 14.344 18.945 ( 2.494 3.511 -4.704) 6.378 19.958 ( 4.291 -0.382 2.282) 4.875 20.196 ( -5.540 -0.604 0.212) 5.577 ======================= Grid point 79 (34/90) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -5.000 -0.415 2.535) 5.621 2.237 ( -10.166 -6.671 -0.008) 12.159 2.354 ( 10.086 0.542 13.138) 16.572 2.829 ( -8.310 -4.829 5.050) 10.857 3.107 ( 0.891 -8.713 -8.161) 11.971 3.228 ( -1.460 5.479 0.045) 5.670 3.533 ( -5.597 4.699 -0.929) 7.367 3.618 ( 5.739 5.802 6.058) 10.164 3.966 ( -5.766 -4.657 -7.566) 10.591 4.106 ( 2.821 4.555 -0.795) 5.416 4.253 ( -8.891 -9.393 0.130) 12.934 4.293 ( 3.672 4.326 8.057) 9.855 4.388 ( 2.745 0.796 5.881) 6.539 4.465 ( 1.279 -1.960 -3.942) 4.585 5.065 ( 0.645 5.345 -3.287) 6.308 5.218 ( -0.610 -8.937 1.613) 9.102 5.868 ( 3.425 5.439 -2.202) 6.794 6.103 ( 0.599 0.004 -4.033) 4.077 8.249 ( -2.920 1.080 -5.883) 6.656 8.323 ( 2.407 -2.191 1.196) 3.467 8.620 ( -1.828 -1.905 0.940) 2.803 8.974 ( -1.066 -0.970 -2.311) 2.724 9.025 ( 6.776 3.366 -4.231) 8.668 9.109 ( 1.035 0.293 -1.441) 1.798 9.440 ( 3.278 4.749 -0.075) 5.771 9.611 ( -0.794 6.194 0.141) 6.246 9.728 ( -7.334 -2.838 3.206) 8.492 10.048 ( 15.029 -1.120 -2.925) 15.352 10.309 ( 5.551 1.759 -1.148) 5.935 10.819 ( -7.098 2.582 2.541) 7.969 11.170 ( 11.794 1.002 -4.065) 12.515 11.499 ( -9.547 4.512 -4.667) 11.545 11.723 ( 0.139 -5.311 -2.407) 5.833 11.826 ( 0.882 -3.944 -6.787) 7.899 12.073 ( 3.031 6.261 -3.742) 7.899 12.397 ( 0.780 2.273 -6.322) 6.763 12.531 ( 10.875 6.973 -2.389) 13.137 12.748 ( 0.962 -7.901 1.024) 8.025 13.058 ( -6.454 -1.287 1.828) 6.831 13.096 ( -4.518 -2.099 4.552) 6.748 13.223 ( 0.442 -1.295 6.596) 6.737 13.677 ( -8.792 -3.216 4.968) 10.599 13.940 ( -4.832 -5.521 18.622) 20.016 14.048 ( 10.804 2.413 -4.025) 11.779 14.158 ( 1.832 -6.842 -11.560) 13.557 14.550 ( -4.023 25.407 -8.581) 27.117 14.647 ( -2.269 -1.887 -2.203) 3.682 15.250 ( 11.198 -0.808 1.427) 11.318 15.482 ( -2.112 -9.467 8.217) 12.712 16.182 ( 1.541 5.463 3.194) 6.513 16.487 ( -10.642 -3.644 0.202) 11.250 16.831 ( -3.178 -5.250 10.686) 12.323 17.537 ( 8.332 -1.357 -5.626) 10.145 18.072 ( -7.161 4.438 -3.509) 9.127 18.438 ( 0.849 -1.654 -11.224) 11.377 18.597 ( -1.695 -4.305 -0.697) 4.679 18.934 ( -4.706 4.050 0.647) 6.243 19.219 ( 7.241 2.885 13.305) 15.420 20.009 ( 3.110 -3.662 -0.143) 4.806 20.133 ( -3.576 0.670 0.945) 3.759 ======================= Grid point 80 (35/90) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -21.996 -7.983 -7.619) 24.608 2.005 ( -16.818 -15.416 -2.183) 22.918 2.653 ( 5.463 2.472 11.402) 12.883 2.841 ( 0.571 3.267 -3.529) 4.843 3.013 ( -0.263 -4.698 5.826) 7.490 3.322 ( 4.224 6.259 1.600) 7.719 3.466 ( -19.457 -10.615 -3.010) 22.367 3.549 ( -9.383 -1.389 -5.680) 11.056 3.727 ( 4.409 -2.667 -0.178) 5.156 3.961 ( -5.284 -3.967 -9.567) 11.628 4.179 ( 3.063 4.436 2.168) 5.810 4.381 ( 2.330 0.480 -3.878) 4.549 4.463 ( 2.091 5.928 6.791) 9.254 4.822 ( 11.252 5.314 12.043) 17.317 5.037 ( 5.190 -8.148 -0.731) 9.688 5.231 ( -0.226 5.750 0.666) 5.793 5.940 ( 4.464 1.849 -0.999) 4.933 6.076 ( 1.637 2.732 -3.894) 5.031 8.183 ( 1.856 1.768 -5.599) 6.158 8.354 ( 1.207 -1.763 1.861) 2.834 8.566 ( -3.511 -2.258 1.057) 4.306 8.939 ( -0.495 -1.086 -2.704) 2.956 9.108 ( 6.091 6.532 -2.282) 9.218 9.148 ( 1.437 1.674 1.547) 2.695 9.513 ( 3.644 4.497 -2.465) 6.291 9.647 ( -2.354 2.024 1.626) 3.504 9.706 ( 0.682 -0.971 6.503) 6.611 10.177 ( 9.262 -2.814 -2.907) 10.107 10.346 ( 1.927 1.635 -2.775) 3.753 10.821 ( -1.735 2.826 5.567) 6.480 11.284 ( 10.750 3.152 -5.796) 12.614 11.348 ( -10.535 3.052 -1.997) 11.148 11.692 ( 4.341 -2.049 -1.858) 5.147 11.766 ( 5.290 -1.998 -6.378) 8.524 12.173 ( 8.250 7.146 -2.930) 11.301 12.357 ( 0.823 3.814 -4.183) 5.720 12.711 ( 8.554 0.485 1.579) 8.712 12.761 ( 5.738 1.797 -1.591) 6.220 12.994 ( -5.571 -2.719 5.082) 8.016 13.068 ( -5.786 0.336 2.599) 6.352 13.281 ( 0.515 -5.405 5.936) 8.044 13.584 ( -8.821 0.166 3.755) 9.589 13.884 ( -10.998 -8.794 3.710) 14.562 13.990 ( 0.374 -4.886 -10.067) 11.196 14.202 ( 5.152 3.032 0.430) 5.993 14.597 ( 0.901 17.668 -7.803) 19.335 14.598 ( -1.849 -2.256 2.077) 3.581 15.354 ( 4.775 -2.048 -4.228) 6.698 15.525 ( 0.498 -6.012 13.401) 14.697 16.239 ( -0.092 -3.146 -8.143) 8.730 16.275 ( -12.565 3.252 7.087) 14.788 16.817 ( -4.261 -11.706 6.538) 14.069 17.709 ( 16.586 7.758 -0.888) 18.332 18.030 ( -4.208 8.857 -0.667) 9.828 18.237 ( -4.959 -3.914 -11.104) 12.776 18.537 ( 1.599 -7.248 -1.050) 7.496 18.888 ( -8.417 1.677 2.799) 9.028 19.432 ( 0.808 1.427 8.354) 8.513 20.001 ( 2.450 -1.632 -2.577) 3.912 20.128 ( -0.660 -1.463 2.663) 3.109 ======================= Grid point 81 (36/90) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -23.784 -9.717 -2.940) 25.860 1.553 ( -22.127 -19.957 -2.067) 29.869 2.698 ( -42.402 -21.882 3.619) 47.852 2.756 ( 0.902 0.160 -6.560) 6.623 2.844 ( -1.447 0.396 7.148) 7.303 3.116 ( 0.980 -0.504 2.386) 2.629 3.546 ( 9.577 6.831 3.440) 12.256 3.612 ( 7.685 4.263 -1.297) 8.883 3.711 ( -2.708 -2.569 -3.042) 4.815 3.832 ( 3.245 1.982 -4.644) 6.002 4.296 ( 5.690 2.367 1.690) 6.390 4.383 ( 4.563 2.566 -5.108) 7.314 4.620 ( 0.991 6.098 7.104) 9.415 4.862 ( -3.336 -6.002 -0.791) 6.913 5.180 ( 5.016 -3.368 -1.613) 6.253 5.318 ( 5.257 8.867 5.101) 11.501 6.016 ( 6.195 0.837 0.259) 6.257 6.089 ( 2.659 4.111 -4.027) 6.340 8.186 ( 3.929 3.122 -4.380) 6.661 8.369 ( 0.187 -1.700 1.487) 2.267 8.538 ( -1.826 -2.989 4.042) 5.349 8.876 ( -3.501 1.181 -2.392) 4.401 9.138 ( -4.363 -4.227 0.414) 6.088 9.231 ( 6.354 5.353 -0.668) 8.335 9.570 ( 4.810 4.921 -2.427) 7.297 9.674 ( 0.166 1.597 1.835) 2.438 9.837 ( 5.540 3.401 5.781) 8.699 10.182 ( 2.700 -4.245 -4.476) 6.734 10.349 ( 1.367 0.126 -1.259) 1.863 10.899 ( 0.401 2.693 0.542) 2.776 11.224 ( -6.069 -1.393 2.139) 6.584 11.427 ( 12.789 7.078 -2.867) 14.895 11.742 ( 2.661 7.296 -2.566) 8.179 11.804 ( 10.736 -2.944 -2.336) 11.375 12.246 ( 7.065 7.807 -12.842) 16.607 12.471 ( 6.673 3.885 8.698) 11.631 12.764 ( 3.486 -5.569 0.946) 6.638 12.884 ( 1.629 7.278 -2.029) 7.729 12.934 ( -5.335 3.216 -4.071) 7.442 13.023 ( -3.180 -4.453 5.974) 8.102 13.317 ( 1.823 -9.631 8.531) 12.994 13.510 ( -7.150 -2.142 -2.472) 7.863 13.723 ( -4.919 -5.062 3.001) 7.669 13.811 ( -5.404 -3.884 -5.111) 8.391 14.196 ( -5.059 10.014 -8.206) 13.900 14.567 ( 0.825 -11.085 3.564) 11.673 14.693 ( -0.475 10.925 -0.301) 10.940 15.293 ( 0.380 -7.903 -1.742) 8.102 15.668 ( 0.509 1.259 8.782) 8.887 16.015 ( -3.745 -4.051 -8.407) 10.055 16.363 ( -0.583 6.407 7.067) 9.557 16.701 ( -5.862 -7.713 0.154) 9.689 17.993 ( -0.741 0.074 -7.842) 7.877 18.027 ( 8.447 5.194 -6.904) 12.083 18.064 ( 1.608 3.300 9.783) 10.449 18.535 ( 4.599 -2.284 1.216) 5.277 18.789 ( -10.389 -3.320 3.462) 11.443 19.464 ( -4.345 -1.643 2.383) 5.221 19.983 ( -1.448 -1.013 -1.244) 2.161 20.154 ( 2.093 0.636 0.560) 2.258 ======================= Grid point 82 (37/90) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -19.530 -13.048 11.293) 26.061 1.066 ( -22.378 -22.830 4.028) 32.221 1.975 ( -47.424 -21.663 16.008) 54.540 2.725 ( 2.726 2.919 -3.898) 5.581 2.933 ( -0.499 -2.198 8.622) 8.912 3.135 ( -0.111 -0.101 0.853) 0.866 3.553 ( -2.084 0.172 -6.670) 6.990 3.759 ( 9.816 4.232 0.289) 10.693 3.794 ( 5.137 6.094 0.885) 8.019 3.878 ( 3.797 1.741 0.309) 4.189 4.358 ( 6.095 -0.330 -6.967) 9.262 4.467 ( 7.735 3.709 -0.651) 8.603 4.723 ( -8.471 1.256 0.879) 8.608 4.756 ( 1.251 0.162 2.342) 2.660 5.119 ( -1.086 -4.826 -2.823) 5.695 5.498 ( 4.611 5.151 0.949) 6.978 6.112 ( 3.734 4.885 -2.418) 6.607 6.125 ( 5.845 0.208 -1.466) 6.030 8.230 ( 4.494 4.007 -2.385) 6.476 8.383 ( 0.239 0.605 1.989) 2.092 8.556 ( -0.416 -4.383 5.847) 7.319 8.819 ( -3.367 1.190 -0.041) 3.571 9.002 ( -5.334 -9.973 0.112) 11.311 9.340 ( 3.270 4.130 0.661) 5.309 9.644 ( 1.681 8.679 -3.553) 9.528 9.704 ( 1.106 3.350 -1.629) 3.885 10.022 ( 7.054 2.372 2.480) 7.844 10.106 ( 2.356 -3.339 -6.635) 7.793 10.332 ( 1.085 -4.631 -3.901) 6.151 10.843 ( -5.177 1.631 -4.109) 6.808 11.183 ( -4.471 -4.803 1.326) 6.694 11.690 ( 17.905 8.661 -1.627) 19.956 11.868 ( 6.305 9.863 2.328) 11.935 11.921 ( 9.136 0.088 2.240) 9.407 12.250 ( 6.336 8.284 -11.570) 15.577 12.688 ( -2.568 -2.065 -2.932) 4.410 12.725 ( 1.491 0.863 4.208) 4.547 12.783 ( -1.109 -4.601 -0.249) 4.739 12.886 ( -2.723 5.436 -6.131) 8.634 13.083 ( 1.568 -2.942 7.535) 8.240 13.251 ( -10.665 -8.731 -8.317) 16.099 13.327 ( -0.399 -7.007 -3.634) 7.903 13.528 ( -7.783 -3.735 -3.366) 9.266 13.971 ( 8.264 1.495 17.815) 19.695 14.106 ( -6.715 15.009 -4.100) 16.946 14.534 ( 2.288 -13.447 4.172) 14.264 14.680 ( -8.645 1.664 -0.253) 8.808 15.247 ( 4.065 -7.077 -0.880) 8.208 15.687 ( -6.352 7.720 -4.697) 11.046 15.932 ( 1.894 -8.474 2.439) 9.019 16.471 ( 0.348 4.170 0.071) 4.186 16.602 ( -3.138 3.070 1.860) 4.768 17.879 ( 2.547 -5.765 -4.116) 7.528 17.978 ( -3.830 -0.338 0.888) 3.946 18.376 ( 9.246 4.778 3.343) 10.932 18.594 ( -1.428 4.392 -3.408) 5.740 18.701 ( 0.736 -5.111 9.266) 10.608 19.371 ( -6.239 -3.412 -1.700) 7.311 19.908 ( -5.499 -4.041 0.871) 6.879 20.190 ( 1.299 5.728 -3.210) 6.693 ======================= Grid point 85 (38/90) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 1.083 3.635 22.318) 22.638 1.792 ( -3.137 10.412 21.557) 24.145 2.836 ( 3.041 5.552 23.434) 24.274 2.887 ( -2.563 -6.559 2.795) 7.576 3.074 ( -0.196 3.954 2.418) 4.639 3.217 ( -0.199 -2.971 0.093) 2.979 3.554 ( 0.848 -7.399 2.577) 7.880 3.822 ( 6.488 2.510 -0.812) 7.004 3.846 ( -2.065 -7.490 2.105) 8.050 3.896 ( 2.589 -0.653 -7.348) 7.818 4.002 ( -8.347 -3.121 -0.236) 8.915 4.259 ( 2.286 11.657 0.443) 11.887 4.638 ( 5.086 -3.049 -4.048) 7.180 4.684 ( -6.331 -0.753 -5.895) 8.683 4.950 ( 0.845 5.435 -4.633) 7.191 5.571 ( -0.553 -9.219 -0.955) 9.285 5.953 ( 1.648 -0.895 -5.793) 6.089 6.006 ( -1.085 0.820 -5.922) 6.076 8.316 ( -0.176 -5.196 0.307) 5.208 8.499 ( 0.023 4.766 -0.080) 4.766 8.623 ( 3.781 -9.122 -7.236) 12.242 8.859 ( -8.478 -5.163 -3.685) 10.589 9.001 ( 1.302 1.054 3.305) 3.705 9.208 ( 3.534 15.471 -6.511) 17.154 9.455 ( -6.167 -4.255 -4.754) 8.874 9.488 ( 8.644 -3.232 -3.444) 9.851 9.771 ( -3.354 8.887 -5.152) 10.806 9.927 ( 4.188 -2.329 0.791) 4.857 10.038 ( -4.388 5.349 2.811) 7.468 10.818 ( 2.470 -1.314 -0.439) 2.832 10.956 ( -2.021 8.471 -3.291) 9.310 11.706 ( 1.519 -10.918 -5.372) 12.263 11.896 ( -1.588 -7.273 -3.751) 8.336 12.047 ( -0.945 1.388 -7.346) 7.535 12.129 ( -1.850 0.615 -9.807) 9.999 12.175 ( 5.349 8.337 -9.193) 13.513 12.413 ( -0.487 -1.236 -6.349) 6.487 12.990 ( -4.149 -12.006 3.920) 13.294 13.103 ( 0.882 -1.626 12.364) 12.502 13.181 ( 2.503 -0.838 4.571) 5.278 13.287 ( -0.819 2.585 8.256) 8.690 13.683 ( -4.578 -10.021 -9.097) 14.287 13.758 ( -0.018 1.497 17.077) 17.143 13.823 ( 1.305 1.285 8.781) 8.970 14.134 ( 2.568 14.849 -10.558) 18.401 14.603 ( -2.088 -8.707 -2.133) 9.205 14.756 ( 9.980 -1.786 3.397) 10.693 15.040 ( -7.297 13.039 -5.949) 16.082 15.564 ( -2.831 -6.175 4.925) 8.391 15.858 ( 2.650 11.461 1.768) 11.895 16.651 ( -0.023 -5.041 7.879) 9.354 16.767 ( 0.913 2.078 4.623) 5.150 17.800 ( -2.067 -4.818 -2.727) 5.909 18.348 ( 0.169 -9.188 3.400) 9.799 18.426 ( 4.610 -11.685 -5.644) 13.771 18.624 ( -6.362 -0.868 1.372) 6.566 18.810 ( 2.588 9.595 4.415) 10.874 18.895 ( 0.451 15.250 -4.137) 15.808 19.908 ( -0.645 4.091 3.688) 5.546 20.271 ( 0.659 -4.253 0.084) 4.305 ======================= Grid point 86 (39/90) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 6.613 6.840 18.423) 20.735 2.102 ( 1.787 7.161 16.940) 18.478 2.695 ( -14.479 -5.881 -2.514) 15.828 2.966 ( 4.915 -7.509 -0.121) 8.975 3.080 ( -4.258 -8.989 -5.408) 11.321 3.323 ( -1.701 8.511 6.446) 10.811 3.536 ( -0.568 -1.876 5.740) 6.066 3.761 ( -7.859 5.732 -1.845) 9.901 3.864 ( 6.761 -9.385 1.213) 11.630 3.972 ( 9.687 -0.207 -3.443) 10.283 3.993 ( 5.582 -1.231 10.399) 11.867 4.383 ( -1.959 9.670 4.701) 10.929 4.483 ( -8.540 -1.093 -5.723) 10.338 4.625 ( 0.218 -0.340 -4.183) 4.202 4.989 ( 4.145 3.201 -2.760) 5.920 5.395 ( -8.858 -8.457 -2.039) 12.415 5.832 ( -2.491 -0.100 -5.602) 6.132 6.021 ( 5.866 0.356 -4.471) 7.384 8.270 ( -0.124 -5.958 -0.710) 6.001 8.416 ( -6.272 -1.655 -6.174) 8.955 8.581 ( 3.312 3.574 -0.643) 4.915 8.783 ( 6.348 -5.819 -3.857) 9.436 9.054 ( 0.826 0.588 1.805) 2.071 9.132 ( -5.676 5.758 -11.051) 13.693 9.409 ( -0.023 2.935 2.406) 3.795 9.583 ( 9.108 1.872 -2.743) 9.695 9.740 ( -0.690 4.994 -1.210) 5.184 9.941 ( -4.534 0.020 0.563) 4.569 10.121 ( 5.041 3.194 3.854) 7.104 10.867 ( 5.922 0.655 -1.504) 6.145 10.959 ( -0.967 7.098 -3.002) 7.768 11.586 ( 1.535 -7.693 -5.186) 9.404 11.735 ( -0.713 -11.820 -5.606) 13.102 11.931 ( -4.437 2.160 -7.318) 8.826 12.013 ( -0.557 1.727 -8.285) 8.481 12.256 ( 7.812 12.495 -6.642) 16.163 12.362 ( 2.302 2.389 -5.182) 6.153 12.834 ( -6.752 -14.355 2.710) 16.094 13.193 ( -2.286 -2.135 3.680) 4.829 13.248 ( -1.184 -1.195 10.123) 10.262 13.281 ( -9.621 -4.465 2.619) 10.925 13.601 ( 13.292 -5.966 -1.016) 14.605 13.868 ( -3.543 -1.462 7.576) 8.490 14.018 ( 1.601 2.997 11.707) 12.190 14.099 ( 1.532 0.267 -12.114) 12.213 14.575 ( 1.810 6.663 -0.436) 6.918 14.914 ( -6.442 9.222 -3.840) 11.887 14.922 ( 5.927 -0.837 -1.110) 6.088 15.554 ( -4.423 -3.315 8.590) 10.215 16.069 ( 6.224 10.916 4.610) 13.385 16.680 ( -3.952 -4.839 7.460) 9.730 16.869 ( 2.388 1.931 5.852) 6.609 17.597 ( -10.684 -9.611 -4.146) 14.956 18.192 ( 0.063 -6.470 -11.061) 12.815 18.377 ( 3.085 -7.655 -1.755) 8.438 18.601 ( 0.868 -6.596 0.889) 6.712 18.927 ( 3.242 9.899 -0.160) 10.418 19.098 ( 0.654 16.664 9.236) 19.063 19.970 ( -0.318 1.189 3.035) 3.275 20.225 ( -1.760 -3.184 -0.808) 3.726 ======================= Grid point 87 (40/90) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -4.409 -2.067 5.886) 7.640 2.285 ( -7.494 0.814 0.892) 7.591 2.456 ( -1.220 1.871 8.961) 9.235 2.885 ( -3.122 -4.757 -6.008) 8.275 2.980 ( 1.611 -5.849 6.037) 8.559 3.267 ( -3.247 2.340 -4.696) 6.171 3.611 ( 3.339 -5.112 -0.031) 6.106 3.658 ( -7.584 0.620 -0.217) 7.613 3.901 ( 2.130 0.382 -2.508) 3.312 4.048 ( 7.835 0.186 -2.416) 8.201 4.230 ( 1.666 -2.829 -0.994) 3.430 4.356 ( -0.908 0.822 7.378) 7.479 4.464 ( -8.151 -2.241 0.240) 8.457 4.550 ( -0.726 9.084 7.885) 12.051 4.988 ( 0.356 -6.881 -1.323) 7.016 5.254 ( -3.324 3.787 -0.641) 5.079 5.801 ( 4.639 1.334 -3.675) 6.067 6.026 ( 2.660 -0.141 -4.344) 5.095 8.167 ( -0.532 -5.261 -5.438) 7.585 8.345 ( -1.310 2.761 0.083) 3.057 8.620 ( 0.855 -0.420 -0.803) 1.246 8.808 ( 8.971 -4.241 -3.432) 10.499 9.014 ( -1.908 6.777 -5.015) 8.643 9.102 ( 1.357 1.584 1.772) 2.736 9.466 ( 0.359 3.616 1.527) 3.942 9.661 ( 2.419 5.732 -1.998) 6.535 9.815 ( 3.020 0.990 -2.132) 3.827 9.885 ( -1.230 -0.547 5.343) 5.510 10.239 ( 4.496 2.443 -0.337) 5.128 10.923 ( 0.514 1.040 0.241) 1.185 10.993 ( 5.619 4.119 -2.371) 7.360 11.501 ( 2.873 -4.864 -5.611) 7.962 11.578 ( 0.060 -7.265 -6.412) 9.690 11.790 ( -5.841 -2.271 -2.812) 6.869 11.974 ( 5.581 5.898 -8.804) 11.977 12.357 ( 1.219 5.527 -4.811) 7.428 12.422 ( 9.972 11.469 -3.837) 15.675 12.691 ( -2.901 -10.854 3.349) 11.723 13.132 ( -5.939 -7.820 3.361) 10.379 13.185 ( -1.936 0.902 0.513) 2.196 13.332 ( -2.226 -3.583 8.805) 9.763 13.749 ( 7.129 -3.033 0.057) 7.748 13.842 ( -0.553 -3.081 -3.401) 4.622 13.981 ( 2.156 -1.776 -3.408) 4.407 14.133 ( -1.982 -0.321 4.873) 5.270 14.651 ( -1.985 -1.633 3.351) 4.224 14.764 ( -8.564 15.407 -6.235) 18.698 15.093 ( 11.387 2.076 -0.094) 11.575 15.584 ( -4.850 -1.959 9.838) 11.142 16.233 ( 0.836 5.329 0.538) 5.421 16.640 ( -8.596 -3.810 7.009) 11.728 16.985 ( -3.836 -1.803 9.785) 10.664 17.359 ( 1.548 -7.028 -5.219) 8.890 18.066 ( 2.652 1.546 -9.643) 10.120 18.302 ( 0.227 -6.161 -4.802) 7.814 18.545 ( -1.406 -7.177 0.312) 7.320 19.025 ( 0.012 6.286 0.272) 6.292 19.362 ( 2.269 13.062 9.787) 16.479 19.968 ( -1.327 -4.832 0.846) 5.082 20.181 ( -1.732 0.292 0.367) 1.794 ======================= Grid point 88 (41/90) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -22.028 -4.068 -5.153) 22.985 2.094 ( -16.146 -12.171 0.210) 20.221 2.705 ( 2.383 4.485 2.291) 5.572 2.819 ( 4.358 2.805 0.729) 5.234 3.046 ( 0.047 -4.005 6.539) 7.669 3.284 ( 7.759 5.258 -1.174) 9.446 3.529 ( -2.155 -2.831 -4.748) 5.933 3.614 ( 0.159 -7.323 2.631) 7.783 3.837 ( -10.903 4.614 -2.107) 12.025 3.918 ( -21.436 -9.284 -2.595) 23.504 4.150 ( 7.398 2.247 -1.142) 7.816 4.292 ( -0.600 -1.042 -4.311) 4.476 4.573 ( 1.889 4.362 7.412) 8.805 4.826 ( 13.785 -2.987 6.469) 15.518 4.918 ( -1.452 -3.311 3.328) 4.914 5.305 ( 0.080 10.738 -0.348) 10.744 5.842 ( 6.142 -1.622 -2.756) 6.924 6.014 ( 2.701 1.936 -4.145) 5.313 8.093 ( 2.142 -1.032 -4.026) 4.676 8.365 ( 0.170 1.483 0.922) 1.754 8.594 ( -1.562 -1.770 0.196) 2.369 8.868 ( 6.062 -0.533 -1.577) 6.286 9.046 ( 4.236 6.673 -3.026) 8.463 9.165 ( 1.214 1.534 2.284) 3.007 9.504 ( -0.183 1.030 0.912) 1.388 9.697 ( 1.002 0.606 -0.963) 1.517 9.794 ( -2.438 2.986 4.294) 5.771 10.005 ( 7.690 0.536 -1.192) 7.801 10.278 ( 2.306 1.602 -2.973) 4.090 10.934 ( -1.898 -0.014 4.035) 4.460 11.085 ( 8.475 3.428 -6.090) 10.985 11.462 ( 0.647 -3.430 -4.614) 5.786 11.484 ( 3.962 -0.823 -0.968) 4.161 11.701 ( -0.373 -2.136 -0.835) 2.323 12.029 ( 8.609 8.029 -9.405) 15.068 12.366 ( 1.061 4.752 -1.072) 4.986 12.622 ( 9.965 9.325 -1.389) 13.718 12.667 ( 2.837 -4.106 2.091) 5.411 13.084 ( -1.846 -6.488 6.567) 9.414 13.143 ( -3.825 0.268 -3.318) 5.070 13.335 ( -2.922 -6.704 4.989) 8.853 13.669 ( -4.114 0.952 -7.019) 8.191 13.773 ( -0.809 -5.257 -3.255) 6.236 14.020 ( -3.790 -0.626 -1.344) 4.069 14.155 ( 6.633 -0.436 3.688) 7.602 14.558 ( -3.606 -1.096 -3.947) 5.457 14.802 ( -3.668 5.667 6.575) 9.423 15.220 ( 3.737 5.990 -4.515) 8.381 15.632 ( -1.105 -3.498 10.323) 10.955 16.156 ( -5.396 -1.490 -9.352) 10.900 16.598 ( -11.553 3.548 10.989) 16.334 16.883 ( -9.519 -14.225 6.224) 18.212 17.516 ( 18.147 5.673 1.359) 19.061 18.006 ( 3.215 4.699 -14.883) 15.935 18.205 ( -3.141 -3.503 1.016) 4.814 18.478 ( -1.492 -8.188 3.847) 9.169 19.022 ( -5.051 2.407 -0.717) 5.640 19.552 ( -1.249 6.062 5.184) 8.074 19.922 ( 1.665 -2.862 -0.931) 3.440 20.181 ( -1.772 0.486 2.452) 3.064 ======================= Grid point 89 (42/90) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -23.378 -4.292 1.039) 23.792 1.723 ( -23.415 -11.829 2.549) 26.357 2.671 ( 0.990 2.206 -7.723) 8.093 2.948 ( -0.573 0.844 7.847) 7.913 3.050 ( -4.802 -6.027 -2.119) 7.992 3.317 ( -27.641 -8.370 10.840) 30.848 3.457 ( 6.716 4.038 -1.668) 8.012 3.503 ( 2.901 -2.543 -0.542) 3.896 3.715 ( 0.142 1.783 0.930) 2.016 3.796 ( 0.030 5.326 -1.292) 5.481 4.244 ( 3.058 -1.218 -1.383) 3.570 4.259 ( 6.613 2.776 -4.726) 8.589 4.673 ( 3.132 -3.696 2.873) 5.633 4.871 ( -0.336 -2.119 3.218) 3.868 5.056 ( 6.514 1.668 -2.257) 7.093 5.379 ( 0.971 5.443 1.055) 5.628 5.907 ( 8.408 -0.634 -0.731) 8.464 6.028 ( 2.971 3.463 -4.041) 6.095 8.107 ( 4.120 2.046 -2.134) 5.071 8.388 ( -0.091 0.854 1.165) 1.447 8.570 ( -1.371 -2.988 2.414) 4.079 8.911 ( -0.008 4.576 -1.245) 4.742 9.110 ( 1.487 -1.315 -3.836) 4.319 9.182 ( 2.468 -0.489 1.060) 2.730 9.544 ( 3.135 0.912 3.384) 4.702 9.718 ( 0.755 0.293 1.432) 1.645 9.881 ( 1.350 8.232 1.613) 8.496 10.032 ( 4.322 -5.317 -4.433) 8.161 10.270 ( 1.131 0.661 -3.806) 4.025 10.956 ( -2.214 1.751 1.161) 3.052 11.135 ( 9.536 -1.337 -6.195) 11.450 11.421 ( -2.160 3.202 2.226) 4.458 11.610 ( 11.645 -1.958 2.942) 12.170 11.737 ( 4.088 5.611 0.455) 6.957 12.077 ( 6.976 9.189 -12.098) 16.717 12.478 ( 7.258 3.420 4.173) 9.044 12.696 ( 1.796 -2.933 3.212) 4.706 12.830 ( 9.771 9.157 -2.041) 13.546 12.971 ( -7.955 -2.291 -8.489) 11.857 13.084 ( -1.754 -6.235 2.545) 6.959 13.307 ( 0.133 -6.229 2.273) 6.632 13.508 ( -7.435 -1.802 -6.783) 10.224 13.664 ( -3.547 -5.047 -2.306) 6.586 13.937 ( -4.560 0.092 4.291) 6.262 14.288 ( 0.017 8.166 1.362) 8.278 14.478 ( 2.346 -3.183 -4.407) 5.921 14.878 ( -4.679 -1.321 11.779) 12.743 15.171 ( -2.205 1.258 -7.180) 7.615 15.765 ( 4.869 -3.030 9.789) 11.345 15.902 ( -7.446 -1.231 -12.746) 14.813 16.637 ( -9.991 7.717 10.220) 16.242 16.726 ( -5.297 -11.784 3.205) 13.311 17.807 ( 10.293 0.901 -8.424) 13.331 17.899 ( 7.586 6.065 -4.458) 10.687 18.176 ( -3.718 -2.010 5.023) 6.565 18.508 ( 3.014 -2.588 6.492) 7.611 18.913 ( -8.049 -3.534 -0.973) 8.844 19.539 ( -5.584 -2.140 0.262) 5.986 19.951 ( 2.707 2.275 -1.641) 3.899 20.192 ( -1.834 1.235 2.410) 3.270 ======================= Grid point 90 (43/90) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -20.475 -3.288 14.067) 25.058 1.377 ( -25.262 -5.655 10.499) 27.935 2.635 ( -0.435 -0.438 -3.015) 3.077 2.690 ( -31.112 -7.602 11.529) 34.039 3.040 ( -2.163 -0.737 9.159) 9.440 3.167 ( -5.147 -2.765 3.623) 6.875 3.456 ( 3.784 0.112 -8.218) 9.048 3.621 ( 10.506 3.206 -2.073) 11.178 3.782 ( 2.866 0.356 2.975) 4.146 3.885 ( 2.071 6.314 2.161) 6.987 4.224 ( 2.251 2.677 -7.097) 7.912 4.352 ( 7.717 -0.947 -0.623) 7.800 4.694 ( 4.415 -7.130 0.063) 8.386 4.862 ( -6.497 1.413 -0.025) 6.648 5.057 ( 2.074 3.157 -4.618) 5.966 5.443 ( 5.648 -3.029 -0.737) 6.451 6.010 ( 6.370 0.656 -2.700) 6.950 6.068 ( 4.094 4.879 -1.418) 6.525 8.179 ( 4.834 4.542 -0.819) 6.684 8.412 ( 0.430 0.895 1.721) 1.987 8.563 ( 0.152 -5.564 3.400) 6.523 8.913 ( -4.299 6.552 -0.778) 7.875 8.989 ( -4.622 -7.485 -0.350) 8.804 9.278 ( 7.505 0.505 -0.473) 7.536 9.656 ( 3.249 6.662 0.228) 7.415 9.727 ( -0.971 -0.955 -0.230) 1.381 9.915 ( 3.704 -3.985 -9.203) 10.691 10.010 ( 1.378 0.629 1.910) 2.438 10.218 ( -1.339 -0.365 -5.563) 5.734 10.924 ( -4.803 6.444 -2.211) 8.336 11.148 ( 2.913 -9.872 -1.032) 10.344 11.536 ( 9.634 6.863 0.935) 11.865 11.795 ( 9.200 2.289 0.171) 9.482 11.918 ( 7.696 7.732 7.718) 13.363 12.107 ( 7.607 9.206 -10.066) 15.619 12.597 ( -0.836 -3.139 -8.124) 8.750 12.728 ( 4.040 -2.213 4.382) 6.358 12.788 ( -3.126 -2.136 0.612) 3.835 12.927 ( -4.987 4.644 -4.277) 8.046 13.006 ( 5.878 -2.452 -6.191) 8.882 13.257 ( -5.429 -0.552 -3.529) 6.499 13.319 ( -5.130 -7.825 5.123) 10.667 13.587 ( -2.317 -5.088 4.063) 6.911 13.974 ( -0.391 5.908 -1.687) 6.157 14.348 ( -1.556 5.929 2.880) 6.773 14.494 ( 2.013 3.976 4.532) 6.356 14.876 ( -13.608 -3.784 8.896) 16.693 15.078 ( 4.051 -7.188 -4.817) 9.554 15.656 ( -0.702 -1.100 -13.645) 13.707 15.929 ( 1.485 -0.665 8.699) 8.850 16.557 ( -7.843 -1.858 -0.087) 8.061 16.720 ( -3.710 2.282 5.503) 7.018 17.716 ( 3.960 -1.780 -8.617) 9.649 18.066 ( 0.254 6.643 3.209) 7.381 18.280 ( 11.074 -2.594 6.484) 13.093 18.607 ( -0.154 3.595 -1.243) 3.807 18.764 ( -4.705 -7.888 4.906) 10.413 19.406 ( -6.966 -3.991 -3.633) 8.812 19.950 ( -2.174 -0.908 -0.181) 2.363 20.206 ( -0.487 3.571 -0.768) 3.685 ======================= Grid point 93 (44/90) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -4.804 6.301 18.603) 20.220 2.186 ( -6.050 11.875 14.985) 20.054 2.662 ( 13.795 -7.811 -1.428) 15.917 3.020 ( -7.393 -4.992 -4.694) 10.081 3.162 ( 6.145 -4.952 0.967) 7.951 3.311 ( 1.622 8.453 8.287) 11.948 3.420 ( 0.307 -6.980 4.492) 8.306 3.610 ( 10.083 -6.672 -4.061) 12.754 3.885 ( -5.934 -1.540 2.337) 6.561 3.969 ( -7.080 0.810 -1.604) 7.304 4.095 ( -7.166 -6.462 3.646) 10.315 4.353 ( 4.243 12.062 8.748) 15.493 4.506 ( 5.744 2.710 -3.183) 7.104 4.679 ( -1.209 0.979 -4.919) 5.159 4.919 ( -0.433 -0.546 -6.594) 6.631 5.468 ( 3.704 -3.919 0.969) 5.479 5.795 ( 5.312 -2.138 -5.424) 7.887 6.018 ( -6.194 0.045 -5.755) 8.455 8.269 ( 0.944 -7.000 -0.605) 7.089 8.416 ( 5.041 -0.232 -4.700) 6.896 8.565 ( -4.103 3.926 -1.065) 5.778 8.842 ( -6.740 -6.893 -8.596) 12.916 9.032 ( 1.021 2.227 2.056) 3.198 9.180 ( 3.393 10.266 -8.948) 14.034 9.363 ( 2.724 -0.530 1.399) 3.108 9.470 ( -4.660 -3.768 -0.486) 6.012 9.840 ( -0.663 -1.062 -1.402) 1.880 9.893 ( -0.700 9.304 1.284) 9.418 10.185 ( -4.720 5.372 1.673) 7.344 10.797 ( -1.005 -2.365 0.469) 2.612 11.020 ( -3.637 9.630 -4.670) 11.304 11.528 ( 2.087 -12.140 -3.939) 12.933 11.781 ( -2.942 -8.723 -7.562) 11.914 11.948 ( 6.110 -3.963 -2.449) 7.683 11.995 ( 1.545 4.983 -9.868) 11.163 12.200 ( -7.603 11.318 -5.984) 14.890 12.362 ( -1.728 1.904 -6.334) 6.836 12.926 ( 2.668 -9.269 -1.230) 9.723 13.131 ( 4.625 -2.487 3.613) 6.374 13.245 ( 1.230 -1.884 9.812) 10.067 13.319 ( 6.580 -3.185 7.335) 10.356 13.703 ( -16.249 -1.916 -5.680) 17.319 13.865 ( 3.771 -1.324 7.104) 8.151 14.001 ( -1.163 -0.385 14.100) 14.153 14.114 ( -4.036 5.808 -8.926) 11.388 14.438 ( 8.364 -3.958 -4.308) 10.207 14.692 ( 3.022 -1.067 1.137) 3.401 15.144 ( -4.287 9.704 -4.966) 11.713 15.675 ( 1.678 4.964 9.134) 10.531 15.974 ( -4.712 4.867 4.425) 8.092 16.689 ( 4.653 -4.830 6.624) 9.426 16.844 ( -2.088 0.839 7.905) 8.219 17.684 ( 7.434 -2.976 -4.145) 9.017 18.112 ( 3.369 -11.338 -12.272) 17.045 18.379 ( -4.880 -7.922 -0.785) 9.337 18.623 ( -1.364 -6.256 0.496) 6.422 18.906 ( -1.001 9.169 -2.684) 9.606 19.098 ( -1.314 16.445 11.089) 19.878 20.004 ( -1.545 4.392 2.788) 5.426 20.202 ( 2.886 -5.320 -0.057) 6.053 ======================= Grid point 94 (45/90) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 0.181 6.250 14.906) 16.164 2.364 ( -1.900 9.346 8.848) 13.009 2.752 ( -2.124 -3.134 -4.077) 5.564 2.822 ( 1.241 -4.888 0.146) 5.045 3.085 ( -8.049 -5.222 0.353) 9.601 3.375 ( 5.490 -5.397 -3.829) 8.598 3.474 ( 0.907 -7.221 -1.136) 7.366 3.699 ( 12.704 -3.979 -4.388) 14.017 3.812 ( -1.378 0.154 -0.150) 1.394 3.901 ( -4.300 -1.568 5.878) 7.450 4.070 ( 0.102 -1.153 7.197) 7.289 4.524 ( -7.627 -1.788 -3.955) 8.775 4.575 ( 2.035 4.700 1.547) 5.350 4.597 ( -0.702 11.161 5.747) 12.573 4.946 ( 5.365 4.038 -0.586) 6.741 5.386 ( -4.400 -7.258 -1.502) 8.619 5.806 ( -2.005 -2.554 -4.704) 5.716 5.892 ( 3.776 2.447 -4.812) 6.588 8.184 ( 0.021 -7.988 -4.285) 9.064 8.415 ( -1.231 2.036 -1.483) 2.804 8.550 ( 0.991 3.903 -3.176) 5.129 8.658 ( -0.540 -5.068 -3.177) 6.006 9.081 ( 0.367 1.206 2.348) 2.664 9.119 ( -3.324 7.837 -10.754) 13.716 9.410 ( 5.685 -2.035 0.494) 6.058 9.489 ( 2.231 2.966 2.961) 4.747 9.821 ( -2.744 5.267 0.110) 5.940 9.969 ( 0.003 3.377 0.948) 3.507 10.191 ( -2.109 3.341 2.455) 4.652 10.797 ( 1.903 -1.072 0.037) 2.184 11.013 ( -1.486 9.191 -2.844) 9.735 11.431 ( 2.425 -10.099 -2.789) 10.754 11.562 ( -1.394 -11.283 -7.921) 13.856 11.878 ( -0.814 3.477 -10.406) 11.002 11.960 ( -0.801 -0.811 -2.648) 2.883 12.204 ( 3.001 14.580 -7.866) 16.837 12.317 ( 0.654 4.569 -2.890) 5.446 12.828 ( -2.661 -13.629 2.374) 14.088 13.158 ( 3.029 -1.763 -3.929) 5.265 13.348 ( 0.928 -6.491 6.562) 9.277 13.385 ( -9.844 -5.298 -0.997) 11.224 13.502 ( 1.683 -1.100 10.453) 10.644 13.922 ( -0.918 -2.621 -7.610) 8.101 13.991 ( -0.774 -1.560 2.209) 2.813 14.125 ( 1.020 4.524 2.375) 5.211 14.578 ( 7.255 2.719 5.391) 9.439 14.791 ( 8.162 -0.235 3.353) 8.827 15.022 ( -8.490 4.967 -8.896) 13.263 15.799 ( -8.600 6.231 12.186) 16.165 16.114 ( 6.530 8.359 4.217) 11.415 16.778 ( 1.347 -5.898 7.464) 9.608 16.906 ( -0.575 1.451 5.250) 5.477 17.611 ( -6.472 -5.493 -5.344) 10.031 17.926 ( 6.249 -11.275 -11.428) 17.227 18.248 ( -0.200 -10.258 -0.948) 10.303 18.576 ( -0.851 -5.395 1.770) 5.742 18.977 ( 1.157 11.798 -1.131) 11.908 19.344 ( 0.108 16.354 8.249) 18.317 20.027 ( -2.032 -0.708 1.520) 2.634 20.193 ( 1.095 -2.586 -0.025) 2.808 ======================= Grid point 95 (46/90) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -3.630 -1.574 5.961) 7.154 2.428 ( -7.762 1.749 -4.953) 9.372 2.599 ( -0.883 5.230 4.968) 7.268 2.848 ( -6.542 -1.580 0.068) 6.730 3.047 ( 2.026 3.876 7.529) 8.708 3.238 ( -4.661 -3.891 -8.041) 10.076 3.437 ( 7.292 -13.636 -1.392) 15.526 3.658 ( 3.126 -11.270 -5.980) 13.135 3.803 ( 2.909 -0.855 -1.506) 3.386 3.975 ( 1.367 5.528 0.610) 5.727 4.199 ( 2.306 -0.307 1.920) 3.016 4.430 ( 2.690 -0.709 4.330) 5.147 4.610 ( -6.917 2.540 2.938) 7.932 4.700 ( -4.173 5.707 3.695) 7.977 5.000 ( -3.275 -0.871 3.681) 5.004 5.302 ( -0.362 1.427 -0.346) 1.512 5.700 ( 1.218 -0.858 -4.790) 5.017 5.932 ( 4.072 1.265 -3.685) 5.636 8.071 ( -0.147 -4.448 -4.525) 6.346 8.390 ( -2.458 2.814 -0.478) 3.767 8.570 ( 3.362 1.030 -2.368) 4.239 8.658 ( 5.353 -2.694 0.933) 6.065 9.031 ( -1.900 7.232 -6.328) 9.796 9.132 ( 0.841 1.507 2.990) 3.452 9.486 ( 4.163 -1.221 2.521) 5.017 9.578 ( 3.593 3.076 -1.683) 5.021 9.852 ( -1.092 7.094 0.664) 7.208 9.961 ( -3.154 -0.791 1.945) 3.789 10.236 ( 0.734 4.281 0.170) 4.347 10.828 ( 4.825 -2.788 -0.271) 5.579 11.046 ( -1.349 6.810 0.013) 6.942 11.326 ( 0.592 -7.487 -6.051) 9.644 11.442 ( 4.638 -6.887 -2.007) 8.542 11.808 ( -0.549 6.220 -7.709) 9.920 11.863 ( -2.301 0.303 -5.376) 5.855 12.319 ( 9.320 11.970 -5.734) 16.218 12.352 ( 0.808 6.767 -2.064) 7.120 12.727 ( -4.023 -10.700 6.350) 13.077 13.139 ( 3.506 0.365 -5.752) 6.746 13.191 ( -6.645 -6.776 2.039) 9.707 13.397 ( -0.897 -5.583 4.430) 7.183 13.628 ( 5.623 -4.422 0.036) 7.154 13.773 ( -1.813 1.009 -3.938) 4.451 14.013 ( -2.083 -2.254 4.726) 5.635 14.164 ( -0.321 3.499 -2.936) 4.579 14.711 ( 0.002 -3.023 5.255) 6.063 14.811 ( -4.580 2.025 -9.496) 10.735 15.016 ( 10.118 3.424 7.697) 13.166 15.847 ( -11.751 7.261 9.705) 16.882 16.246 ( 0.504 3.166 -2.808) 4.262 16.796 ( -3.481 -6.348 7.854) 10.682 17.051 ( 9.972 2.803 6.169) 12.056 17.333 ( -15.125 -7.682 -3.361) 17.294 17.836 ( 7.762 -4.659 -10.282) 13.700 18.192 ( 3.104 -7.481 -0.392) 8.109 18.548 ( -1.866 -4.898 3.453) 6.277 19.062 ( 0.666 7.847 -1.499) 8.017 19.552 ( 0.427 14.614 4.377) 15.262 19.964 ( -3.045 -7.073 0.128) 7.702 20.203 ( 0.165 0.776 1.228) 1.462 ======================= Grid point 96 (47/90) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -17.611 -2.799 -1.775) 17.920 2.282 ( -14.042 -2.567 2.525) 14.496 2.692 ( -1.801 -0.895 -7.957) 8.207 2.812 ( 4.412 8.902 3.608) 10.570 3.089 ( -2.246 -4.840 -0.526) 5.362 3.241 ( 4.662 4.842 6.191) 9.138 3.379 ( 4.250 -10.306 -7.004) 13.165 3.584 ( 3.228 -5.472 2.460) 6.813 3.815 ( 0.730 0.285 -1.263) 1.486 4.030 ( 5.229 2.110 -4.244) 7.057 4.164 ( -0.525 -0.773 -2.054) 2.257 4.419 ( -24.196 -1.175 5.327) 24.803 4.652 ( 8.261 2.124 6.821) 10.922 4.675 ( -0.554 -6.211 0.911) 6.302 4.993 ( -2.124 -0.831 2.579) 3.443 5.375 ( 2.219 9.385 0.298) 9.648 5.694 ( 5.861 -2.327 -3.836) 7.381 5.945 ( 2.832 1.936 -2.991) 4.551 8.021 ( 1.812 -0.161 -2.304) 2.935 8.390 ( -0.591 2.621 0.189) 2.694 8.592 ( 0.913 -0.360 0.652) 1.178 8.760 ( 7.916 0.148 1.338) 8.029 9.024 ( 1.030 6.050 -3.520) 7.075 9.192 ( 0.610 1.156 2.038) 2.421 9.540 ( -1.833 -3.704 2.760) 4.969 9.595 ( 6.513 -0.977 -2.140) 6.924 9.895 ( -0.209 5.970 -1.455) 6.148 9.965 ( -1.501 0.588 3.849) 4.173 10.270 ( -0.101 5.839 -2.165) 6.228 10.867 ( 6.419 -6.229 -0.416) 8.954 11.045 ( -1.723 3.694 -4.472) 6.051 11.295 ( 5.999 -3.306 2.710) 7.367 11.491 ( 4.787 2.163 1.758) 5.539 11.706 ( -4.673 1.403 -3.948) 6.277 11.866 ( 6.663 7.035 -8.052) 12.599 12.375 ( 0.831 6.387 -2.315) 6.844 12.513 ( 11.368 8.975 -1.715) 14.585 12.715 ( -2.361 -3.209 7.439) 8.439 13.068 ( -0.012 -4.713 -5.981) 7.614 13.135 ( -2.742 -3.585 1.637) 4.801 13.346 ( -2.232 -5.225 0.271) 5.688 13.602 ( 3.858 2.069 -8.417) 9.487 13.775 ( -4.371 -0.944 2.193) 4.980 14.049 ( 1.983 -0.783 4.481) 4.962 14.116 ( -1.024 -1.321 -0.929) 1.912 14.577 ( -7.378 0.216 -5.892) 9.444 14.817 ( 5.248 -5.317 2.321) 7.823 15.270 ( 5.025 5.568 7.917) 10.906 15.810 ( -12.376 3.263 5.664) 13.996 16.118 ( -6.217 -0.517 -10.101) 11.872 16.785 ( -1.236 -10.793 5.624) 12.233 17.051 ( -16.253 -3.235 3.277) 16.893 17.348 ( 16.152 3.281 5.109) 17.255 17.788 ( 5.155 2.316 -11.310) 12.644 18.205 ( 3.051 -2.894 2.275) 4.782 18.534 ( -3.375 -5.870 8.028) 10.502 19.059 ( -2.823 3.246 -4.387) 6.145 19.658 ( -2.303 5.761 -0.864) 6.264 19.886 ( 0.096 -3.346 0.374) 3.368 20.230 ( -0.364 0.445 2.140) 2.216 ======================= Grid point 97 (48/90) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -20.185 -0.249 6.344) 21.160 2.061 ( -21.826 -1.154 6.617) 22.836 2.547 ( 1.246 -1.185 -10.942) 11.076 2.920 ( 5.191 -2.155 -5.502) 7.865 3.105 ( -0.514 1.943 7.369) 7.638 3.227 ( 4.378 -6.603 -8.176) 11.385 3.410 ( 5.005 0.109 2.764) 5.718 3.705 ( 3.423 2.303 7.593) 8.642 3.790 ( -3.832 3.378 -2.663) 5.761 3.995 ( -14.159 1.438 3.795) 14.729 4.154 ( -1.485 -6.344 -2.871) 7.120 4.194 ( -2.809 3.707 5.108) 6.908 4.605 ( -0.253 -7.557 -0.448) 7.575 4.847 ( 7.906 3.355 0.406) 8.598 4.965 ( 2.441 -5.809 -2.999) 6.978 5.420 ( -4.069 3.979 -1.659) 5.928 5.765 ( 10.695 0.037 -0.729) 10.720 5.984 ( 2.650 4.517 -1.415) 5.425 8.056 ( 3.686 2.955 -0.630) 4.766 8.411 ( -0.316 1.869 0.980) 2.134 8.601 ( -1.608 -1.128 2.044) 2.835 8.889 ( 6.888 3.034 -0.250) 7.531 9.043 ( 1.090 2.624 -3.092) 4.199 9.179 ( -2.224 -2.823 0.483) 3.626 9.546 ( 4.410 -2.053 1.569) 5.111 9.670 ( 3.494 -2.015 2.586) 4.791 9.874 ( 0.605 -4.848 -2.971) 5.718 10.019 ( -2.776 9.048 2.570) 9.808 10.268 ( -1.764 5.219 -3.237) 6.389 10.904 ( 8.956 -8.387 -1.059) 12.315 11.001 ( -0.849 6.050 -4.647) 7.675 11.433 ( 5.714 -1.561 5.352) 7.983 11.597 ( 0.011 5.136 2.774) 5.838 11.719 ( 7.801 5.527 2.464) 9.873 11.910 ( 5.964 7.565 -9.772) 13.722 12.452 ( 4.925 5.896 0.095) 7.683 12.712 ( 8.023 5.062 -0.117) 9.487 12.756 ( 0.009 2.333 1.304) 2.672 12.921 ( -3.196 -6.094 -3.679) 7.804 13.063 ( -3.034 -5.438 -1.842) 6.494 13.292 ( -1.228 -1.673 -0.398) 2.113 13.546 ( -4.904 2.620 -5.884) 8.095 13.671 ( -5.266 -5.589 0.910) 7.733 14.051 ( -4.408 3.332 2.759) 6.176 14.257 ( 12.901 0.115 3.465) 13.358 14.434 ( -4.453 0.678 -3.538) 5.728 14.877 ( 6.120 -7.806 3.348) 10.469 15.347 ( -11.790 5.943 3.433) 13.642 15.743 ( -4.691 -6.791 0.037) 8.254 15.915 ( -4.247 4.848 -5.104) 8.222 16.705 ( -1.148 -15.692 2.872) 15.994 16.913 ( -9.922 2.120 2.127) 10.366 17.577 ( 9.591 0.720 -5.088) 10.880 17.812 ( 6.959 8.755 -0.670) 11.204 18.263 ( 0.519 0.222 4.178) 4.216 18.578 ( -1.970 -3.680 12.022) 12.726 18.936 ( -5.433 -1.612 -6.286) 8.463 19.571 ( -4.835 -5.234 -2.793) 7.653 19.916 ( 2.813 3.275 -1.659) 4.625 20.243 ( -1.078 -0.407 1.285) 1.726 ======================= Grid point 98 (49/90) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -18.447 1.845 15.425) 24.117 1.861 ( -23.486 4.032 12.200) 26.771 2.475 ( 7.187 -3.611 -7.158) 10.767 2.842 ( 1.962 -6.637 -5.112) 8.604 3.192 ( 2.809 1.337 -1.857) 3.623 3.212 ( 3.118 0.127 1.720) 3.564 3.488 ( 0.455 0.658 0.987) 1.271 3.605 ( -18.406 -2.919 8.326) 20.412 3.826 ( -4.887 1.838 3.697) 6.398 3.952 ( 0.119 7.366 4.059) 8.411 4.134 ( 4.079 1.404 -4.474) 6.215 4.280 ( 2.817 0.745 3.659) 4.677 4.544 ( 4.775 -8.347 -3.772) 10.329 4.859 ( 1.327 -7.465 -5.799) 9.545 4.977 ( 6.786 5.194 -4.749) 9.777 5.342 ( -2.350 -5.462 -0.403) 5.959 5.905 ( 7.162 2.653 -1.912) 7.874 6.052 ( 2.800 5.381 0.078) 6.067 8.145 ( 4.868 5.138 -0.210) 7.081 8.434 ( -0.249 0.333 2.096) 2.137 8.565 ( -2.732 -3.515 0.279) 4.461 8.970 ( 2.653 3.200 -1.913) 4.576 9.014 ( -3.208 1.960 0.071) 3.760 9.176 ( 3.583 -1.820 0.169) 4.022 9.602 ( 4.846 -1.163 -4.693) 6.846 9.711 ( 0.059 -2.266 3.721) 4.357 9.790 ( -0.532 -9.720 -0.316) 9.740 10.056 ( -3.114 10.106 -3.411) 11.111 10.241 ( -3.634 4.823 -1.366) 6.192 10.946 ( 8.754 -8.171 -2.570) 12.247 11.016 ( -1.162 7.275 0.372) 7.376 11.527 ( 3.021 2.130 3.135) 4.847 11.708 ( 6.397 3.704 -0.824) 7.438 11.926 ( 5.708 6.175 -9.036) 12.343 11.984 ( 10.320 7.437 9.256) 15.731 12.492 ( -1.173 0.215 -9.979) 10.050 12.721 ( 0.576 -1.608 3.026) 3.474 12.825 ( 5.359 0.616 -6.129) 8.164 12.838 ( -5.110 -2.825 0.510) 5.861 12.988 ( -1.133 2.585 2.313) 3.649 13.301 ( -0.258 2.271 2.468) 3.364 13.374 ( -6.790 -3.030 -2.977) 8.009 13.614 ( -1.326 -6.274 4.294) 7.718 14.057 ( -4.728 7.170 -0.124) 8.589 14.313 ( 1.959 -0.566 -5.443) 5.813 14.570 ( 10.612 6.142 8.454) 14.893 14.925 ( 3.338 -8.036 2.417) 9.032 15.209 ( -18.478 0.816 5.911) 19.418 15.494 ( -4.865 -5.882 -12.114) 14.318 16.003 ( 3.008 3.670 5.691) 7.410 16.599 ( -2.935 -9.284 0.922) 9.780 16.814 ( -3.894 -3.899 -0.836) 5.574 17.577 ( 1.773 6.059 -8.025) 10.210 18.035 ( 11.656 5.253 2.494) 13.026 18.336 ( -0.928 1.475 8.071) 8.257 18.648 ( -4.883 3.631 0.365) 6.096 18.808 ( -1.141 -6.491 5.143) 8.360 19.396 ( -5.749 -8.019 -5.291) 11.196 19.946 ( 1.372 1.797 -1.752) 2.860 20.221 ( -1.264 -1.257 -0.641) 1.894 ======================= Grid point 101 (50/90) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 8.417 -2.937 1.532) 9.045 2.361 ( 2.967 0.176 6.818) 7.438 2.553 ( 1.583 9.448 10.465) 14.188 2.913 ( 9.203 -7.090 -5.600) 12.897 3.073 ( -3.693 -0.571 2.185) 4.329 3.229 ( 4.836 -1.145 -3.199) 5.911 3.436 ( -0.497 -9.424 -0.828) 9.474 3.598 ( -4.514 0.779 2.576) 5.256 3.877 ( -1.656 -3.415 -8.121) 8.964 4.022 ( -3.428 -1.392 1.586) 4.025 4.232 ( -8.376 -4.190 7.000) 11.692 4.418 ( 7.735 4.548 -2.473) 9.307 4.499 ( 16.104 -3.144 -5.560) 17.324 4.619 ( -1.832 13.382 16.607) 21.406 4.859 ( -8.596 -6.357 -4.724) 11.689 5.434 ( 8.755 7.437 1.040) 11.534 5.718 ( -6.826 -3.513 -2.939) 8.220 6.014 ( -3.760 -0.654 -5.644) 6.814 8.157 ( 0.839 -5.176 -4.698) 7.041 8.387 ( 1.213 4.410 1.036) 4.690 8.616 ( -1.568 0.020 -1.387) 2.094 8.809 ( -9.132 -3.437 -5.257) 11.084 9.061 ( 3.015 6.512 -0.610) 7.202 9.094 ( 1.412 2.044 -3.355) 4.175 9.362 ( -3.130 -1.225 -3.015) 4.515 9.532 ( -4.107 -0.819 2.930) 5.111 9.820 ( 2.517 -2.042 5.534) 6.413 10.049 ( -5.422 14.049 -1.801) 15.166 10.269 ( -2.744 1.900 -1.334) 3.594 10.799 ( -0.728 -4.586 2.369) 5.213 11.094 ( -4.944 8.378 -5.612) 11.231 11.372 ( 0.762 -11.010 -2.363) 11.287 11.687 ( -4.887 -4.069 -7.582) 9.895 11.802 ( 5.521 -3.300 -2.336) 6.843 11.970 ( -2.932 7.746 -5.329) 9.848 12.305 ( -3.214 3.852 -9.053) 10.350 12.364 ( -8.682 6.371 -1.789) 10.916 12.807 ( 1.945 -2.354 -2.897) 4.209 13.093 ( 1.747 -4.661 1.729) 5.269 13.223 ( 6.989 -3.491 5.969) 9.832 13.381 ( 2.928 -1.150 12.140) 12.541 13.763 ( 2.869 -3.294 -1.248) 4.543 13.934 ( -9.163 2.529 -0.984) 9.556 14.081 ( -3.872 -2.350 -3.561) 5.762 14.094 ( -3.511 -3.678 -8.324) 9.754 14.304 ( 10.012 -1.204 9.465) 13.830 14.683 ( 1.491 0.791 3.945) 4.291 15.220 ( -6.070 7.684 -5.807) 11.384 15.765 ( 8.943 7.651 9.942) 15.406 16.144 ( -6.025 0.744 5.199) 7.993 16.565 ( 11.033 -8.807 1.062) 14.157 17.031 ( -1.681 3.553 11.578) 12.227 17.498 ( 4.884 -1.938 -6.359) 8.249 17.881 ( -3.345 -7.692 -10.563) 13.488 18.345 ( -0.840 -2.730 -4.428) 5.269 18.596 ( -0.598 -8.799 2.270) 9.107 18.956 ( 1.388 7.033 0.862) 7.221 19.356 ( -1.929 10.311 8.534) 13.522 20.040 ( 1.569 -0.771 -1.510) 2.310 20.153 ( 0.782 -0.156 2.062) 2.211 ======================= Grid point 102 (51/90) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 8.946 -1.520 0.534) 9.089 2.470 ( -2.316 3.622 7.236) 8.417 2.697 ( 0.361 4.709 -4.439) 6.482 2.916 ( -0.704 4.444 7.548) 8.788 3.133 ( 8.874 -5.409 2.201) 10.623 3.185 ( -3.316 -2.504 -1.202) 4.326 3.332 ( 1.098 -11.884 -4.312) 12.689 3.475 ( -1.566 -8.017 -10.425) 13.244 3.812 ( 0.813 -0.628 -0.741) 1.266 4.039 ( -2.796 2.173 7.340) 8.150 4.169 ( -5.591 -1.732 4.669) 7.487 4.517 ( 2.445 1.555 -2.846) 4.061 4.584 ( -2.917 0.365 -0.677) 3.016 4.720 ( 10.775 -0.093 -0.581) 10.791 4.901 ( 3.605 7.259 8.820) 11.979 5.438 ( -9.961 -2.303 -0.867) 10.261 5.699 ( 7.543 0.350 -1.442) 7.687 5.873 ( -5.201 1.401 -5.459) 7.669 8.071 ( 0.283 -4.413 -4.412) 6.247 8.450 ( 0.466 2.915 2.387) 3.796 8.563 ( -4.754 2.530 -3.454) 6.398 8.626 ( -3.722 -3.593 -1.031) 5.275 9.079 ( -0.182 7.227 -8.522) 11.175 9.125 ( -0.403 2.493 1.639) 3.011 9.326 ( 4.407 -1.850 0.674) 4.827 9.553 ( -0.933 2.232 4.297) 4.932 9.883 ( -0.976 -0.737 4.601) 4.761 10.068 ( -4.451 12.171 -1.950) 13.105 10.235 ( -0.656 0.075 -1.047) 1.238 10.782 ( -0.683 -4.141 1.543) 4.472 11.063 ( -0.464 7.775 -3.451) 8.519 11.301 ( 2.407 -8.639 0.377) 8.976 11.452 ( -6.925 -6.440 -7.113) 11.834 11.800 ( 1.119 1.339 -5.384) 5.660 11.958 ( -1.514 4.454 -1.346) 4.893 12.181 ( -1.370 11.265 -12.076) 16.571 12.353 ( -1.495 5.255 0.941) 5.544 12.762 ( 0.687 -7.279 0.815) 7.357 13.062 ( 0.805 -2.699 -3.844) 4.765 13.325 ( 2.572 -5.501 4.480) 7.546 13.461 ( -5.185 -5.752 2.729) 8.211 13.647 ( -7.127 -3.575 2.916) 8.490 13.812 ( -1.957 -0.445 -5.924) 6.255 14.008 ( 2.571 -2.922 3.569) 5.281 14.114 ( 4.003 6.822 -5.385) 9.569 14.535 ( 9.661 -0.865 5.620) 11.210 14.799 ( 2.751 -0.743 10.661) 11.036 15.066 ( -9.220 3.885 -9.015) 13.467 16.070 ( 6.172 9.833 9.203) 14.815 16.153 ( -3.862 2.202 5.020) 6.705 16.670 ( 10.804 -8.062 1.737) 13.592 17.063 ( -9.166 2.366 2.976) 9.923 17.499 ( 12.247 -13.059 -3.890) 18.321 17.671 ( -4.902 1.736 -9.213) 10.579 18.236 ( -6.125 -8.425 2.700) 10.761 18.556 ( 0.910 -6.694 2.406) 7.172 19.053 ( 0.001 10.962 -0.049) 10.962 19.523 ( 1.639 11.628 4.012) 12.410 20.006 ( 0.730 -5.837 -2.105) 6.248 20.189 ( 0.326 1.189 1.772) 2.159 ======================= Grid point 103 (52/90) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 4.206 -0.614 -1.940) 4.673 2.479 ( -6.730 0.747 0.233) 6.775 2.669 ( -2.006 5.260 0.620) 5.664 3.007 ( -6.014 5.841 -5.031) 9.777 3.099 ( 1.327 -5.423 -5.526) 7.855 3.198 ( -0.885 1.340 3.413) 3.772 3.226 ( -0.102 -8.655 2.902) 9.130 3.357 ( 13.344 -12.454 -1.193) 18.292 3.800 ( -0.851 0.729 0.159) 1.132 4.033 ( -4.901 0.293 0.012) 4.910 4.198 ( -1.781 -1.620 -0.827) 2.546 4.420 ( 1.599 -1.759 3.450) 4.190 4.699 ( 3.663 2.829 4.748) 6.631 4.848 ( -1.070 4.486 1.697) 4.914 5.035 ( 2.641 -1.336 0.326) 2.977 5.299 ( -2.607 -2.068 0.011) 3.328 5.675 ( -4.287 -0.709 -1.762) 4.689 5.857 ( 3.624 4.629 -3.232) 6.708 8.001 ( -0.039 -1.361 -2.806) 3.119 8.452 ( -4.465 2.727 -0.811) 5.294 8.529 ( 2.110 0.893 1.643) 2.819 8.622 ( 1.655 -0.964 2.531) 3.174 9.021 ( -0.545 7.271 -7.610) 10.539 9.162 ( 0.625 0.393 2.491) 2.598 9.423 ( 5.946 0.791 2.066) 6.344 9.602 ( -2.133 1.208 1.821) 3.054 9.896 ( -0.837 -2.858 2.825) 4.105 10.070 ( -4.831 9.547 -0.097) 10.701 10.240 ( 2.126 3.198 -2.235) 4.443 10.748 ( 1.303 -6.852 0.067) 6.975 11.087 ( -0.418 3.722 -2.707) 4.622 11.273 ( -3.876 -1.928 -0.139) 4.331 11.328 ( 4.910 -2.237 1.877) 5.713 11.768 ( 0.451 6.778 -5.446) 8.707 11.884 ( -6.673 2.490 -5.237) 8.841 12.221 ( 7.864 11.610 -5.809) 15.178 12.393 ( -0.595 4.886 0.715) 4.974 12.753 ( 0.481 -6.729 6.038) 9.054 13.015 ( 2.819 0.659 -6.637) 7.242 13.271 ( -6.740 -5.129 3.324) 9.098 13.398 ( -0.356 -3.951 1.111) 4.119 13.490 ( -1.971 -7.105 -8.503) 11.255 13.839 ( -0.512 2.499 5.910) 6.437 14.041 ( 0.363 -2.140 0.513) 2.230 14.148 ( 1.691 2.819 -2.412) 4.077 14.673 ( 5.402 -0.542 0.248) 5.435 14.839 ( -10.355 1.160 -7.317) 12.732 15.017 ( 8.339 -1.399 13.228) 15.700 16.161 ( -3.772 1.075 1.622) 4.245 16.228 ( -4.955 6.466 1.260) 8.243 16.738 ( 5.404 -11.496 0.037) 12.703 17.014 ( 3.526 0.114 1.381) 3.789 17.475 ( -6.671 -4.815 -0.720) 8.259 17.578 ( 6.799 2.518 -5.631) 9.180 18.156 ( -3.301 -7.177 6.259) 10.079 18.568 ( 1.203 -4.859 4.479) 6.717 19.110 ( -1.403 8.218 -2.170) 8.615 19.664 ( 1.712 11.332 -1.089) 11.512 19.922 ( -0.852 -8.840 -1.220) 8.964 20.222 ( 0.434 0.491 1.643) 1.769 ======================= Grid point 105 (53/90) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -7.070 0.682 -3.777) 8.044 2.380 ( -6.064 -2.712 0.682) 6.678 2.694 ( -6.164 4.622 0.739) 7.740 2.808 ( -2.517 -1.909 -9.861) 10.355 3.012 ( 6.066 -8.986 -7.947) 13.443 3.186 ( 0.362 0.246 0.246) 0.502 3.320 ( 1.676 -0.465 8.544) 8.720 3.527 ( 8.577 3.084 5.813) 10.810 3.830 ( 0.610 2.070 2.841) 3.567 3.945 ( -1.577 -3.297 -5.157) 6.321 4.090 ( -0.312 -4.695 -2.641) 5.395 4.577 ( 7.364 2.388 3.405) 8.457 4.729 ( -4.185 -4.954 0.834) 6.539 4.798 ( -14.629 3.735 4.844) 15.856 4.970 ( -1.206 -8.163 -3.405) 8.926 5.360 ( 8.747 2.956 0.686) 9.258 5.629 ( -2.885 3.148 -1.097) 4.409 5.900 ( 3.045 3.759 -1.375) 5.029 7.990 ( 1.043 2.182 -0.818) 2.554 8.437 ( -1.646 3.095 0.984) 3.641 8.595 ( 1.812 0.807 3.017) 3.611 8.696 ( 4.551 0.182 2.614) 5.252 9.012 ( 1.421 5.649 -4.001) 7.067 9.203 ( 1.334 1.153 0.500) 1.833 9.488 ( -1.537 -0.743 -4.127) 4.466 9.584 ( 2.572 -4.120 7.013) 8.531 9.881 ( -1.395 -4.631 1.037) 4.946 10.116 ( -2.857 10.980 2.710) 11.665 10.271 ( 1.904 5.220 -3.851) 6.761 10.721 ( 4.325 -9.353 -0.084) 10.304 11.028 ( -2.512 3.382 -4.598) 6.236 11.307 ( 1.551 0.654 6.324) 6.544 11.462 ( 7.279 3.667 4.620) 9.369 11.737 ( -4.858 3.196 -6.850) 8.985 11.801 ( 0.560 10.127 -3.723) 10.804 12.354 ( 5.582 6.930 -3.439) 9.540 12.468 ( 4.199 7.104 2.450) 8.608 12.806 ( -0.261 -1.650 6.810) 7.012 12.950 ( 0.418 -3.298 -6.107) 6.953 13.196 ( -7.003 -3.450 0.996) 7.870 13.335 ( -1.574 -2.556 -1.325) 3.282 13.426 ( 8.728 -0.122 -4.101) 9.644 13.874 ( -5.156 1.218 -0.008) 5.298 14.020 ( 2.648 -4.786 0.979) 5.557 14.157 ( -1.714 0.051 3.001) 3.456 14.591 ( -6.058 0.733 -8.938) 10.822 14.758 ( 0.913 -2.057 3.043) 3.785 15.288 ( 9.641 -1.101 10.408) 14.230 16.046 ( -3.070 -2.536 -11.207) 11.893 16.134 ( -17.267 4.537 4.995) 18.538 16.655 ( 3.905 -15.476 -2.790) 16.203 17.103 ( 3.910 -7.082 -5.067) 9.546 17.371 ( -4.034 5.032 6.852) 9.409 17.692 ( 5.854 10.608 -1.440) 12.201 18.173 ( 1.381 -4.508 5.878) 7.535 18.619 ( 1.165 -5.935 8.755) 10.641 19.084 ( -4.474 4.539 -4.270) 7.672 19.673 ( -2.254 1.006 -6.567) 7.016 19.863 ( 0.853 -1.714 0.398) 1.956 20.245 ( 0.578 -1.131 1.153) 1.715 ======================= Grid point 106 (54/90) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -4.855 -1.485 -3.678) 6.269 2.289 ( -8.126 -3.205 5.616) 10.385 2.516 ( -14.215 1.312 -2.397) 14.476 2.739 ( 2.817 -5.933 -5.197) 8.375 2.962 ( 6.911 -1.417 -7.221) 10.096 3.236 ( 1.664 5.357 1.657) 5.849 3.418 ( 0.094 -0.417 5.363) 5.380 3.733 ( 5.335 2.147 3.271) 6.616 3.815 ( -0.146 1.103 -1.691) 2.024 3.948 ( 6.255 0.697 0.938) 6.363 4.075 ( 4.085 -3.604 0.074) 5.448 4.528 ( -3.209 -8.003 -7.524) 11.443 4.619 ( -21.049 0.936 5.959) 21.897 4.757 ( 6.826 2.988 -1.006) 7.519 4.838 ( -3.813 -9.708 0.195) 10.432 5.545 ( -6.633 7.057 1.588) 9.814 5.578 ( 12.570 -1.807 -2.099) 12.871 5.989 ( 3.173 6.254 1.072) 7.094 8.037 ( 2.504 4.265 -0.034) 4.946 8.459 ( -1.152 1.621 2.169) 2.943 8.645 ( -1.402 0.431 2.248) 2.684 8.798 ( 6.245 2.010 -0.168) 6.563 9.037 ( 1.105 3.869 -1.116) 4.175 9.205 ( -2.604 -0.804 0.294) 2.741 9.422 ( 4.635 -0.225 -4.733) 6.628 9.708 ( 2.534 -5.376 10.135) 11.749 9.810 ( -2.238 -6.825 -0.040) 7.183 10.191 ( -4.684 14.002 -1.355) 14.827 10.278 ( 0.982 2.266 -1.296) 2.789 10.713 ( 5.595 -9.616 -0.171) 11.126 11.021 ( 0.244 9.638 -1.726) 9.794 11.427 ( 4.067 -1.889 6.414) 7.826 11.637 ( 0.039 4.752 -5.658) 7.389 11.684 ( 7.249 6.550 3.817) 10.489 11.856 ( 1.000 9.509 -1.346) 9.656 12.426 ( 3.536 6.043 -3.309) 7.744 12.633 ( 6.388 5.645 0.508) 8.540 12.799 ( -3.507 2.407 -3.964) 5.815 12.938 ( 1.215 -7.036 11.290) 13.358 13.049 ( -5.742 -2.791 -5.145) 8.199 13.297 ( -0.376 0.268 -0.173) 0.493 13.518 ( 2.227 2.306 -2.156) 3.864 13.729 ( -7.988 -3.795 -2.352) 9.151 14.099 ( 11.003 -2.695 0.376) 11.334 14.186 ( -3.740 2.821 5.582) 7.287 14.439 ( -2.408 -0.117 -5.159) 5.695 14.803 ( 2.846 -3.064 3.880) 5.705 15.442 ( 1.853 -2.896 0.593) 3.489 15.890 ( -8.242 -2.064 -1.333) 8.601 15.945 ( -10.788 1.617 0.484) 10.919 16.569 ( 4.262 -13.975 -1.104) 14.652 16.913 ( -2.468 -8.041 -10.781) 13.674 17.527 ( 2.119 7.562 4.734) 9.170 17.852 ( 2.373 12.643 2.603) 13.125 18.249 ( 4.851 -1.502 2.890) 5.843 18.726 ( 3.200 -6.504 11.704) 13.767 18.954 ( -10.343 2.858 -3.803) 11.385 19.514 ( -3.211 -8.446 -6.402) 11.074 19.886 ( 1.793 3.902 -2.436) 4.938 20.241 ( 0.216 -3.081 -0.207) 3.095 ======================= Grid point 107 (55/90) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -1.018 -2.468 -0.287) 2.685 2.228 ( -5.341 -7.024 5.313) 10.299 2.341 ( -12.235 2.782 2.583) 12.810 2.660 ( 1.134 -5.646 -1.551) 5.964 2.990 ( 7.218 4.390 -7.345) 11.195 3.338 ( -0.183 4.719 4.044) 6.217 3.453 ( 2.135 -0.116 0.799) 2.283 3.698 ( 0.453 -5.320 -2.488) 5.890 3.946 ( 2.876 6.684 1.026) 7.349 4.050 ( 4.418 1.374 3.358) 5.717 4.121 ( 7.411 -5.394 -2.369) 9.467 4.327 ( -3.143 -7.026 -5.512) 9.467 4.445 ( -16.218 2.236 8.001) 18.222 4.706 ( -3.871 -8.781 -0.675) 9.620 4.849 ( 7.601 5.212 -5.541) 10.754 5.421 ( -9.109 -3.339 1.475) 9.813 5.791 ( 10.925 4.776 -0.207) 11.925 6.080 ( 0.710 5.857 0.704) 5.942 8.121 ( 4.061 5.416 -0.317) 6.777 8.479 ( -1.213 -0.813 2.973) 3.313 8.585 ( -4.719 -2.179 -2.642) 5.830 8.891 ( 4.883 3.910 -1.469) 6.426 9.079 ( -1.077 4.674 1.154) 4.933 9.173 ( -1.275 -1.136 1.564) 2.315 9.466 ( 7.174 0.836 -4.170) 8.340 9.711 ( -0.554 -10.257 -0.017) 10.272 9.781 ( -3.976 -5.264 8.192) 10.518 10.152 ( -5.242 10.892 -7.119) 14.028 10.326 ( -1.447 5.110 2.297) 5.786 10.735 ( 7.928 -8.763 1.031) 11.862 11.124 ( -0.665 13.527 1.339) 13.610 11.518 ( 3.615 -3.466 3.429) 6.069 11.639 ( 3.971 4.263 -4.270) 7.224 11.802 ( 3.788 9.220 -7.834) 12.678 12.045 ( 7.988 5.951 11.264) 15.036 12.398 ( -2.341 2.407 -9.680) 10.246 12.720 ( 1.679 -0.816 -1.790) 2.586 12.756 ( -1.039 0.506 0.259) 1.184 12.902 ( -3.993 1.495 -0.538) 4.298 13.065 ( 0.229 -1.316 8.824) 8.925 13.342 ( 1.739 3.295 1.088) 3.881 13.402 ( -6.810 -1.681 -3.642) 7.904 13.628 ( -1.663 -7.701 3.830) 8.760 14.187 ( 4.196 2.532 -7.019) 8.561 14.203 ( -5.127 4.682 1.826) 7.179 14.478 ( 11.622 -0.219 0.813) 11.652 14.908 ( 5.004 -1.528 8.671) 10.127 15.347 ( -3.378 -0.993 -7.575) 8.353 15.580 ( -22.680 -10.536 2.769) 25.161 16.040 ( 5.392 5.175 4.714) 8.837 16.512 ( 2.771 -10.328 -1.179) 10.758 16.717 ( 1.710 -7.756 -8.113) 11.354 17.608 ( -3.820 11.489 -1.868) 12.251 18.011 ( 2.982 4.005 5.355) 7.322 18.352 ( 7.102 2.957 -0.107) 7.694 18.719 ( -4.204 1.212 -10.571) 11.441 18.938 ( -4.078 -2.278 20.045) 20.582 19.305 ( -3.564 -12.588 -6.371) 14.551 19.912 ( 2.185 4.383 -3.132) 5.813 20.200 ( -0.300 -4.394 -1.042) 4.526 ======================= Grid point 111 (56/90) ======================= q-point: ( 0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 20.627 -7.772 -1.587) 22.100 2.280 ( 21.294 -4.539 3.794) 22.100 2.710 ( -1.336 2.319 -9.059) 9.446 2.788 ( -1.815 2.658 11.124) 11.580 3.136 ( 1.999 -2.119 1.237) 3.164 3.235 ( -8.852 3.087 2.952) 9.829 3.436 ( -4.821 -3.020 1.728) 5.946 3.555 ( 2.665 -8.762 -6.387) 11.166 3.775 ( 1.783 1.588 -4.232) 4.859 3.954 ( 20.917 -3.932 -4.820) 21.822 4.197 ( 0.586 -0.906 5.576) 5.679 4.353 ( 0.322 2.932 -5.093) 5.885 4.428 ( -5.662 -2.369 6.824) 9.178 4.875 ( -5.373 -2.868 -3.128) 6.847 4.965 ( -10.304 3.760 9.974) 14.826 5.366 ( 10.527 9.681 0.613) 14.315 5.804 ( -11.072 -2.452 -2.821) 11.686 5.997 ( -2.791 1.255 -3.869) 4.934 8.085 ( -1.966 -1.172 -4.003) 4.611 8.426 ( 1.481 3.328 2.099) 4.204 8.597 ( 1.061 -1.743 0.904) 2.231 8.905 ( -11.271 0.138 -2.528) 11.552 8.998 ( 3.871 5.583 -3.633) 7.704 9.149 ( -2.328 1.112 3.220) 4.126 9.358 ( -5.771 -3.235 -4.557) 8.033 9.614 ( -2.758 -0.315 2.892) 4.009 9.874 ( 2.746 2.790 7.731) 8.666 10.179 ( -2.780 11.266 -4.664) 12.506 10.279 ( -2.684 -1.574 -1.648) 3.521 10.818 ( -2.072 -4.092 3.498) 5.768 11.150 ( -6.590 6.108 -7.391) 11.634 11.284 ( -0.404 -6.364 0.644) 6.409 11.665 ( -4.619 -4.966 -4.482) 8.129 11.701 ( 1.172 2.227 -2.706) 3.695 12.030 ( -4.263 9.980 -7.320) 13.090 12.297 ( -5.055 1.215 -0.698) 5.246 12.529 ( -11.939 4.369 -3.668) 13.231 12.778 ( -1.274 2.148 -1.652) 2.995 13.034 ( 2.448 -5.845 -0.365) 6.347 13.198 ( 5.887 -1.271 7.630) 9.720 13.485 ( 1.438 0.474 10.836) 10.941 13.632 ( 7.565 -2.289 -2.380) 8.254 13.933 ( 4.272 -5.845 -5.943) 9.367 13.976 ( 4.078 -0.425 -2.445) 4.774 14.066 ( -6.625 -0.188 -11.089) 12.919 14.365 ( -4.830 -1.970 7.823) 9.403 14.752 ( 3.078 0.845 10.039) 10.534 15.287 ( -6.167 7.506 -7.559) 12.309 15.806 ( 9.474 2.894 11.150) 14.915 16.212 ( 3.173 4.657 -7.179) 9.126 16.349 ( 8.253 -12.255 8.807) 17.201 17.024 ( 12.928 -6.951 -0.253) 14.680 17.524 ( -16.793 4.561 -2.692) 17.608 17.855 ( -7.340 1.113 -3.173) 8.074 18.263 ( 5.559 -1.476 0.207) 5.755 18.543 ( 0.113 -7.572 -0.632) 7.599 18.998 ( 5.333 3.914 6.076) 8.982 19.503 ( -0.329 3.232 3.619) 4.863 19.967 ( 0.384 -1.088 -4.583) 4.726 20.177 ( 1.117 0.676 1.645) 2.101 ======================= Grid point 112 (57/90) ======================= q-point: ( 0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 16.644 -2.250 1.306) 16.846 2.563 ( 8.326 -0.306 6.976) 10.866 2.614 ( 4.976 -0.312 -7.598) 9.088 2.938 ( 2.093 1.291 5.189) 5.742 3.027 ( 1.122 -9.958 -6.546) 11.969 3.171 ( -5.828 4.973 -7.666) 10.838 3.336 ( -6.734 -5.532 -0.118) 8.715 3.444 ( -7.022 1.841 5.472) 9.090 3.780 ( 2.737 0.193 0.173) 2.750 4.147 ( 0.636 2.576 1.206) 2.915 4.283 ( -5.796 -1.552 1.893) 6.292 4.372 ( 22.938 -0.190 -0.192) 22.939 4.501 ( 5.219 -0.342 4.491) 6.894 4.641 ( -8.908 -5.789 -3.084) 11.062 5.028 ( -1.423 -0.289 3.983) 4.240 5.550 ( -7.320 3.624 -2.610) 8.575 5.605 ( 4.212 -0.013 -0.469) 4.238 5.915 ( -5.640 3.197 -2.493) 6.946 8.017 ( -1.379 -0.195 -2.435) 2.805 8.494 ( 1.012 1.285 3.261) 3.648 8.593 ( -1.267 -0.836 -0.195) 1.530 8.705 ( -10.647 -0.017 -0.973) 10.692 9.047 ( -0.280 8.872 -7.106) 11.370 9.179 ( -1.625 1.149 2.125) 2.911 9.274 ( 3.097 -1.531 1.853) 3.921 9.645 ( -0.987 2.136 5.421) 5.910 9.960 ( -2.802 -0.958 3.852) 4.859 10.180 ( 0.180 9.574 -5.810) 11.200 10.208 ( -3.316 -2.217 -0.116) 3.990 10.785 ( -2.509 -4.298 1.316) 5.148 11.059 ( -0.287 4.530 -5.345) 7.012 11.267 ( -0.741 -1.301 3.604) 3.902 11.467 ( -8.704 -2.883 -3.129) 9.688 11.726 ( 3.954 1.365 -3.184) 5.257 12.035 ( -0.828 9.143 -0.868) 9.221 12.164 ( -7.755 6.889 -9.467) 14.043 12.448 ( -4.201 3.051 2.322) 5.687 12.754 ( -1.841 -1.460 2.421) 3.374 12.986 ( 0.328 -3.151 -4.149) 5.220 13.305 ( 2.227 -3.457 2.963) 5.069 13.501 ( -4.188 -7.664 2.036) 8.968 13.593 ( -0.376 -2.117 -9.429) 9.671 13.914 ( -5.284 1.908 -0.849) 5.682 13.962 ( 4.388 -1.758 6.076) 7.698 14.026 ( 5.036 4.209 -3.818) 7.593 14.453 ( 7.683 -0.751 2.918) 8.253 14.909 ( 0.876 -1.441 10.749) 10.880 15.134 ( -9.304 4.299 -6.182) 11.969 16.053 ( 8.095 -2.689 4.705) 9.741 16.238 ( 4.642 7.992 -5.343) 10.675 16.504 ( 8.846 -8.826 9.907) 15.947 17.077 ( 17.192 -13.286 -8.435) 23.308 17.272 ( -17.637 1.551 -1.357) 17.757 17.791 ( -8.142 10.216 -0.145) 13.064 18.302 ( -2.493 -6.126 6.746) 9.447 18.498 ( 2.935 -6.218 1.406) 7.018 19.150 ( -0.424 6.210 3.686) 7.234 19.571 ( 3.865 6.370 -2.110) 7.744 19.896 ( 1.634 -5.805 -4.059) 7.269 20.213 ( 0.748 0.236 1.549) 1.737 ======================= Grid point 113 (58/90) ======================= q-point: ( 0.50 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 7.482 -1.428 -1.590) 7.781 2.552 ( -2.083 4.356 -4.223) 6.414 2.729 ( 3.014 -3.387 3.214) 5.558 2.796 ( 2.426 -14.599 -13.178) 19.817 2.926 ( 1.893 -1.436 -8.114) 8.455 3.148 ( 2.501 -2.513 2.566) 4.377 3.322 ( 0.595 6.243 6.166) 8.795 3.456 ( -9.697 8.630 8.015) 15.256 3.810 ( 0.556 -0.357 0.279) 0.718 4.108 ( -5.220 -2.281 0.543) 5.722 4.196 ( -5.991 -3.058 -4.527) 8.108 4.456 ( -1.358 -1.670 3.422) 4.042 4.675 ( 12.185 4.855 2.227) 13.304 4.734 ( 13.144 -4.905 2.932) 14.332 4.986 ( -0.424 -6.270 -3.057) 6.988 5.361 ( -8.373 -0.801 -1.338) 8.517 5.721 ( 1.287 2.560 1.804) 3.386 5.855 ( -3.116 6.645 -2.286) 7.687 7.989 ( -0.900 2.225 -0.822) 2.537 8.516 ( -3.869 1.693 -2.845) 5.092 8.555 ( 0.348 -1.439 4.592) 4.825 8.663 ( -1.780 1.450 4.638) 5.176 8.999 ( -1.253 7.007 -6.549) 9.673 9.187 ( -0.358 -0.602 1.926) 2.049 9.392 ( 5.304 2.945 3.304) 6.908 9.695 ( -6.233 1.114 2.951) 6.985 9.917 ( -0.810 -3.090 1.616) 3.580 10.135 ( 1.780 -5.751 -1.992) 6.341 10.220 ( -0.593 9.795 -2.908) 10.235 10.712 ( -3.684 -2.331 -0.427) 4.380 11.070 ( 2.251 1.874 -1.830) 3.454 11.335 ( 0.781 3.311 5.006) 6.053 11.355 ( -5.074 1.044 3.093) 6.033 11.748 ( 1.934 5.501 -4.362) 7.282 11.974 ( -9.564 6.579 -5.017) 12.646 12.159 ( 5.698 10.651 -2.618) 12.360 12.466 ( -2.143 2.127 3.971) 4.989 12.782 ( 0.384 -1.782 5.912) 6.187 12.916 ( 0.876 -0.559 -5.729) 5.823 13.284 ( 1.439 -4.700 -3.562) 6.070 13.395 ( -3.319 -5.986 0.398) 6.856 13.431 ( -6.983 -1.402 -4.507) 8.428 13.900 ( 1.135 -1.146 0.693) 1.756 14.021 ( -1.219 2.335 -2.297) 3.495 14.105 ( 4.878 -2.350 4.357) 6.949 14.592 ( 6.743 3.157 -1.405) 7.576 14.905 ( -7.685 3.421 -5.385) 9.988 15.100 ( 0.603 -3.872 13.540) 14.095 16.050 ( 1.810 -10.675 -5.912) 12.336 16.291 ( 6.774 6.108 -9.770) 13.366 16.667 ( 1.587 -10.740 12.492) 16.550 16.999 ( -5.192 -3.302 -4.145) 7.419 17.239 ( 14.218 -0.548 -0.654) 14.244 17.736 ( -9.973 11.153 -1.158) 15.006 18.295 ( -6.552 -5.649 11.015) 14.006 18.537 ( 3.731 -3.944 2.511) 5.982 19.164 ( -2.601 3.700 -2.468) 5.152 19.646 ( 5.072 4.770 -6.120) 9.270 19.840 ( 1.262 -5.619 0.204) 5.763 20.236 ( 0.128 -0.787 1.299) 1.524 ======================= Grid point 114 (59/90) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -0.625 -9.812 -12.030) 15.537 2.499 ( 4.283 -11.949 -10.924) 16.747 2.546 ( 0.071 -1.393 -7.473) 7.602 2.807 ( 0.779 3.993 5.732) 7.029 2.929 ( -2.902 4.129 2.506) 5.635 3.167 ( 1.229 -1.488 1.024) 2.185 3.487 ( -3.325 6.621 6.164) 9.638 3.535 ( 4.079 8.690 4.856) 10.758 3.798 ( 1.205 -2.508 -4.495) 5.286 3.958 ( -7.406 -6.287 -0.261) 9.718 4.070 ( -3.165 -4.728 1.490) 5.881 4.513 ( 4.434 -1.085 -4.887) 6.687 4.698 ( -1.287 -6.099 -1.563) 6.427 4.867 ( 0.889 -6.046 0.165) 6.113 4.961 ( 5.577 4.044 2.373) 7.286 5.310 ( -1.292 0.818 1.737) 2.315 5.748 ( -4.851 5.537 2.856) 7.896 5.883 ( 2.680 5.528 -0.849) 6.201 8.007 ( -0.090 4.490 0.119) 4.492 8.476 ( -0.423 0.444 -0.608) 0.864 8.621 ( 2.359 1.163 3.928) 4.727 8.722 ( -1.017 1.684 4.950) 5.327 8.992 ( 0.849 6.090 -3.107) 6.889 9.203 ( 0.547 1.406 0.167) 1.518 9.496 ( -3.084 -0.474 -0.011) 3.120 9.593 ( 0.087 -2.914 3.358) 4.447 9.910 ( -3.893 -3.087 2.165) 5.419 10.157 ( 7.102 -1.086 0.279) 7.190 10.238 ( 1.448 3.144 -3.633) 5.018 10.667 ( -2.727 1.028 1.358) 3.215 11.078 ( -2.469 5.551 -0.504) 6.097 11.366 ( -0.435 -1.307 5.249) 5.426 11.482 ( 3.786 5.931 5.447) 8.898 11.738 ( -2.397 6.870 -6.030) 9.450 11.895 ( -4.135 11.529 -2.884) 12.583 12.303 ( 5.248 7.412 0.022) 9.082 12.533 ( 0.394 4.034 5.614) 6.924 12.840 ( 0.688 5.427 -6.426) 8.439 12.880 ( 1.992 -8.988 8.497) 12.528 13.179 ( -1.090 -1.823 -9.990) 10.214 13.312 ( -0.706 -3.895 -1.804) 4.350 13.399 ( -0.186 1.332 8.874) 8.975 13.888 ( 0.113 -2.198 -4.670) 5.162 13.950 ( -1.317 -3.140 -3.522) 4.898 14.206 ( 2.391 -2.539 7.410) 8.189 14.567 ( -4.799 4.537 -9.617) 11.666 14.826 ( -3.704 0.547 4.056) 5.520 15.278 ( 6.002 -2.581 9.748) 11.735 15.861 ( 2.202 -10.458 -11.719) 15.860 16.310 ( 6.006 5.074 -9.210) 12.110 16.547 ( -14.589 -16.287 7.198) 23.020 16.934 ( 1.043 -7.310 -4.051) 8.422 17.451 ( 9.080 5.984 3.277) 11.358 17.753 ( -0.544 15.698 0.679) 15.722 18.284 ( -7.666 -4.041 9.641) 12.963 18.592 ( 5.427 -4.179 1.603) 7.035 19.121 ( -1.087 -0.168 -1.900) 2.196 19.589 ( -0.777 -5.524 -6.482) 8.552 19.858 ( 0.698 3.691 -0.102) 3.758 20.230 ( -0.102 -2.933 0.145) 2.938 ======================= Grid point 115 (60/90) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 4.435 -13.077 -13.622) 19.397 2.273 ( 9.320 -19.711 -15.376) 26.679 2.531 ( -5.165 4.263 3.061) 7.363 2.913 ( -2.285 6.086 5.098) 8.261 2.923 ( -9.361 4.119 4.979) 11.375 3.215 ( 3.843 4.829 -0.278) 6.178 3.528 ( -5.484 3.950 1.070) 6.843 3.575 ( 3.903 -15.251 -5.842) 16.792 3.790 ( 7.136 6.178 -0.298) 9.444 3.914 ( 4.266 -6.470 -4.251) 8.839 4.025 ( -3.104 0.410 5.401) 6.243 4.399 ( -0.743 -3.063 -5.603) 6.429 4.705 ( 1.080 2.038 -1.096) 2.554 4.755 ( -6.275 -4.582 0.133) 7.771 5.069 ( -8.819 2.162 8.729) 12.595 5.359 ( 9.721 -0.704 -2.481) 10.058 5.736 ( -7.728 6.907 3.094) 10.817 6.003 ( 5.109 6.341 1.753) 8.330 8.054 ( 0.828 5.311 0.136) 5.377 8.475 ( 1.171 -1.528 -0.165) 1.932 8.687 ( -1.610 -0.196 0.547) 1.711 8.808 ( 2.746 5.837 5.456) 8.449 9.026 ( 1.973 3.422 -0.796) 4.029 9.236 ( 0.469 3.427 0.044) 3.459 9.362 ( -4.998 -2.090 -2.913) 6.151 9.700 ( 2.690 -5.131 4.471) 7.318 9.850 ( -2.185 -2.085 4.435) 5.366 10.200 ( 2.379 -1.168 -4.575) 5.287 10.292 ( 4.703 2.306 1.750) 5.523 10.663 ( -2.771 -0.327 3.045) 4.130 11.128 ( -1.518 14.251 1.936) 14.462 11.416 ( 2.988 -5.702 4.079) 7.621 11.612 ( 0.499 8.042 -3.121) 8.640 11.720 ( -0.171 8.108 1.081) 8.182 11.938 ( 0.254 10.696 -0.993) 10.745 12.404 ( 1.216 6.137 -0.154) 6.258 12.643 ( 1.689 0.759 4.920) 5.256 12.796 ( -0.458 2.220 -4.167) 4.744 12.992 ( 3.438 -3.087 9.426) 10.497 13.031 ( -2.196 -1.705 -5.599) 6.251 13.292 ( 1.466 -1.250 0.901) 2.127 13.544 ( -1.576 1.725 6.070) 6.504 13.746 ( -4.326 -2.211 -6.181) 7.861 13.904 ( 8.219 -6.629 -3.380) 11.087 14.306 ( 1.152 -1.047 6.489) 6.673 14.403 ( -5.316 4.610 -8.656) 11.155 14.847 ( -2.082 -1.641 5.897) 6.466 15.377 ( 1.843 -2.486 -1.076) 3.276 15.763 ( 8.772 -6.110 -4.802) 11.719 16.241 ( -17.194 -1.681 2.990) 17.533 16.359 ( 5.879 -11.300 -2.500) 12.980 16.748 ( -4.544 -6.794 -9.665) 12.658 17.648 ( 2.074 7.284 6.472) 9.963 17.942 ( 5.991 17.149 -0.693) 18.179 18.258 ( -4.499 -4.434 5.976) 8.696 18.647 ( 6.223 -1.906 -3.612) 7.444 19.096 ( -1.461 -6.138 5.690) 8.496 19.415 ( -5.411 -8.197 -4.898) 10.975 19.884 ( -0.535 6.580 -2.598) 7.095 20.191 ( 0.334 -5.378 -1.125) 5.505 ======================= Grid point 116 (61/90) ======================= q-point: (-0.12 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 11.956 -13.880 -10.878) 21.306 2.070 ( 8.372 -19.031 -13.352) 24.709 2.540 ( -5.237 2.221 6.379) 8.547 2.871 ( -9.868 2.062 6.001) 11.732 2.952 ( -3.345 5.325 0.769) 6.336 3.294 ( 8.187 -8.781 -4.627) 12.866 3.427 ( 8.810 -3.145 -3.702) 10.060 3.561 ( -1.483 -1.006 1.858) 2.581 3.730 ( 3.587 -7.213 -12.093) 14.531 3.958 ( 3.329 5.759 -2.224) 7.014 4.149 ( 0.590 4.615 9.506) 10.583 4.369 ( -1.337 1.337 2.343) 3.010 4.614 ( -6.466 -4.086 0.028) 7.649 4.734 ( 3.459 3.726 -4.105) 6.534 4.982 ( -19.397 4.968 7.771) 21.478 5.433 ( 4.910 -6.480 -0.959) 8.186 5.779 ( -0.656 8.987 3.887) 9.814 6.120 ( 1.943 5.543 0.569) 5.901 8.118 ( 2.141 5.674 -0.128) 6.066 8.481 ( 2.377 -2.448 0.141) 3.415 8.587 ( -6.025 -3.307 -4.015) 7.959 8.962 ( -2.882 9.774 5.343) 11.506 9.106 ( 6.092 0.753 1.598) 6.343 9.231 ( -5.680 2.928 1.124) 6.489 9.304 ( 6.441 -1.966 -4.771) 8.253 9.660 ( -1.245 -5.483 0.389) 5.636 9.918 ( -4.327 -2.399 8.376) 9.728 10.163 ( 0.711 2.118 -4.274) 4.823 10.359 ( 2.479 0.427 -0.346) 2.539 10.685 ( -0.184 0.377 5.002) 5.019 11.290 ( -1.121 17.810 3.211) 18.132 11.443 ( 4.378 -8.880 1.110) 9.963 11.604 ( -1.544 7.914 -3.907) 8.960 11.795 ( -0.867 12.134 -4.401) 12.937 12.088 ( 8.229 5.633 5.237) 11.264 12.423 ( -5.357 4.545 1.836) 7.262 12.688 ( -0.769 -1.226 -1.240) 1.905 12.753 ( 0.133 -2.238 -0.669) 2.340 12.947 ( -0.974 3.368 -1.958) 4.016 13.161 ( 0.336 -2.744 8.941) 9.358 13.324 ( 2.719 -1.081 0.354) 2.947 13.459 ( -5.791 -2.464 0.367) 6.304 13.623 ( -2.630 -8.944 0.507) 9.336 14.010 ( 10.254 1.710 -4.641) 11.385 14.293 ( 2.892 3.020 -8.359) 9.347 14.395 ( -2.518 3.357 5.644) 7.033 14.915 ( 5.832 -2.339 5.532) 8.372 15.329 ( -3.686 0.721 -1.318) 3.980 15.693 ( -5.634 -15.792 -4.007) 17.239 16.126 ( -4.391 2.356 9.214) 10.475 16.347 ( 6.837 -6.119 -5.012) 10.455 16.550 ( -1.253 -2.689 -7.180) 7.768 17.764 ( -3.429 8.534 3.838) 9.966 18.130 ( -0.553 10.737 3.579) 11.331 18.240 ( 4.502 -2.334 -1.701) 5.349 18.598 ( 0.974 1.244 -12.508) 12.607 19.101 ( 2.157 -16.270 2.300) 16.573 19.259 ( -7.018 -2.754 8.092) 11.060 19.903 ( 0.197 7.639 -2.406) 8.012 20.136 ( 1.033 -6.435 -1.253) 6.637 ======================= Grid point 119 (62/90) ======================= q-point: ( 0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 22.436 -3.695 6.011) 23.519 1.915 ( 28.604 -5.870 4.233) 29.505 2.639 ( -1.927 1.368 -6.676) 7.082 2.957 ( -0.312 0.597 9.265) 9.289 3.078 ( 9.575 -5.145 -6.024) 12.427 3.204 ( 22.998 -12.028 10.923) 28.159 3.407 ( -10.954 3.666 -6.354) 13.183 3.548 ( -3.095 0.487 2.992) 4.332 3.647 ( 0.052 -3.076 -5.017) 5.885 3.798 ( -1.286 5.389 0.878) 5.610 4.298 ( -3.794 2.501 -3.659) 5.834 4.322 ( -0.515 5.305 1.190) 5.461 4.581 ( -6.936 -3.774 6.526) 10.244 4.824 ( -1.094 -6.173 -5.830) 8.561 5.205 ( -11.387 -3.568 3.622) 12.471 5.316 ( 9.027 10.590 -0.638) 13.930 5.887 ( -10.085 -2.310 -4.317) 11.211 6.039 ( -3.292 5.114 -0.596) 6.112 8.091 ( -3.969 1.369 -2.401) 4.837 8.433 ( 3.050 1.571 1.298) 3.668 8.601 ( -0.025 -3.283 3.595) 4.869 8.935 ( 5.748 7.985 -0.154) 9.839 9.076 ( -12.378 0.087 -2.300) 12.590 9.201 ( 1.544 -0.262 2.494) 2.945 9.366 ( -8.268 -4.275 -4.898) 10.518 9.665 ( -0.679 -0.696 1.922) 2.154 9.953 ( 1.509 4.731 5.303) 7.265 10.180 ( 1.277 4.504 -6.342) 7.883 10.311 ( -3.537 -0.855 0.960) 3.763 10.828 ( -1.275 -3.071 -3.024) 4.495 11.239 ( -10.840 6.713 -3.039) 13.108 11.331 ( -1.696 1.203 5.228) 5.626 11.609 ( -2.762 -3.458 -2.298) 4.987 11.752 ( -8.187 0.600 -2.265) 8.516 12.052 ( -2.802 10.519 -9.355) 14.353 12.464 ( -10.528 2.936 4.527) 11.830 12.654 ( -10.101 -0.571 -4.485) 11.066 12.815 ( -1.387 1.062 0.940) 1.984 12.917 ( 5.467 -2.196 -3.271) 6.738 13.204 ( 5.087 -0.520 6.586) 8.338 13.477 ( 5.697 -0.501 -6.472) 8.637 13.571 ( 2.706 1.295 1.474) 3.342 13.720 ( 9.202 -7.447 -2.811) 12.167 13.920 ( 1.275 -6.131 8.133) 10.264 13.992 ( 1.404 6.025 -6.964) 9.315 14.510 ( -8.691 -0.416 -1.437) 8.819 14.824 ( 5.564 0.314 10.189) 11.614 15.332 ( -3.443 8.028 -5.770) 10.469 15.766 ( 10.747 -8.714 5.295) 14.815 16.071 ( 5.844 8.407 -1.805) 10.396 16.367 ( -0.741 -6.103 8.115) 10.181 16.714 ( 8.532 -12.239 -8.902) 17.373 17.806 ( -18.010 4.398 -2.343) 18.687 17.950 ( -2.120 9.411 -1.753) 9.805 18.217 ( 5.365 -1.707 9.350) 10.914 18.475 ( -2.032 -6.264 -2.229) 6.952 19.001 ( 10.731 0.987 8.734) 13.871 19.504 ( 2.764 -1.865 -1.024) 3.488 19.927 ( -4.219 0.575 -5.577) 7.017 20.153 ( 3.269 -1.944 0.045) 3.803 ======================= Grid point 120 (63/90) ======================= q-point: ( 0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 17.734 1.708 6.775) 19.061 2.301 ( 22.587 -6.855 6.123) 24.385 2.589 ( 1.015 3.111 -3.667) 4.915 2.876 ( -8.105 -8.737 -6.836) 13.739 2.978 ( -5.104 -6.660 -6.358) 10.528 3.222 ( -5.226 9.874 -2.341) 11.414 3.425 ( -3.623 -0.692 2.748) 4.600 3.627 ( 1.168 0.977 7.476) 7.629 3.740 ( 7.364 3.421 2.609) 8.529 3.951 ( 21.402 -0.415 5.218) 22.033 4.202 ( -1.430 1.167 -7.374) 7.602 4.349 ( -2.638 0.525 0.277) 2.704 4.583 ( -2.271 2.169 7.550) 8.177 4.661 ( -5.806 -6.716 -2.586) 9.247 5.027 ( -5.776 -11.096 -3.196) 12.911 5.522 ( 8.817 4.726 0.145) 10.005 5.670 ( -10.603 1.760 -3.835) 11.412 6.016 ( -5.530 5.019 -0.131) 7.469 8.042 ( -2.941 2.882 -0.679) 4.173 8.509 ( 2.976 1.339 1.838) 3.745 8.592 ( -0.735 -5.098 2.137) 5.576 8.850 ( -11.274 1.259 -2.641) 11.648 9.069 ( -1.485 9.465 -3.719) 10.278 9.216 ( -1.969 -2.189 -0.065) 2.945 9.272 ( 2.497 1.727 4.146) 5.138 9.715 ( 3.046 0.349 4.347) 5.319 10.010 ( -1.075 -3.177 1.580) 3.708 10.110 ( -2.555 -1.026 -7.040) 7.560 10.289 ( -3.419 3.051 1.885) 4.955 10.777 ( 2.091 -0.951 -2.779) 3.605 11.085 ( -9.363 5.960 -4.375) 11.930 11.393 ( -4.628 4.693 7.139) 9.717 11.549 ( -4.579 -0.517 0.397) 4.625 11.642 ( 1.044 0.380 -2.290) 2.546 12.065 ( 1.358 11.954 -5.060) 13.051 12.304 ( -13.242 3.042 -2.914) 13.896 12.571 ( -5.016 0.772 4.837) 7.011 12.817 ( -0.960 -3.322 4.544) 5.710 12.905 ( 0.266 1.717 -5.480) 5.749 13.256 ( 1.247 -4.773 -1.439) 5.139 13.455 ( 3.460 1.547 -10.237) 10.916 13.498 ( -1.981 -7.847 0.610) 8.116 13.800 ( 7.325 -2.961 -3.826) 8.779 13.958 ( 4.047 3.657 2.213) 5.887 14.132 ( -2.127 4.709 8.657) 10.081 14.403 ( -0.077 -0.701 -1.099) 1.306 14.968 ( 2.601 1.881 1.893) 3.727 15.242 ( -7.088 1.794 0.426) 7.323 15.907 ( 10.162 -9.854 1.357) 14.220 16.155 ( 0.563 4.871 -5.691) 7.512 16.474 ( 7.902 -7.911 10.442) 15.299 16.652 ( 14.430 -6.611 -7.366) 17.498 17.553 ( -19.500 1.605 0.356) 19.569 17.977 ( -6.276 13.450 -2.755) 15.096 18.326 ( 3.525 -6.389 3.039) 7.904 18.463 ( 1.727 -2.023 8.507) 8.913 19.227 ( 3.875 -1.508 7.625) 8.685 19.452 ( 3.975 -0.582 -12.019) 12.673 19.821 ( -1.537 -0.725 -1.666) 2.380 20.200 ( 3.149 -1.369 1.360) 3.693 ======================= Grid point 121 (64/90) ======================= q-point: ( 0.50 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 6.510 0.271 1.348) 6.653 2.434 ( 4.069 -6.977 -7.578) 11.075 2.454 ( -2.465 -14.680 -14.000) 20.435 2.774 ( 7.410 -2.714 -1.689) 8.070 2.828 ( -0.670 4.300 8.575) 9.616 3.248 ( -5.047 8.512 0.151) 9.897 3.421 ( -0.700 2.632 3.530) 4.459 3.702 ( -3.363 2.441 3.987) 5.759 3.815 ( -2.362 5.268 0.723) 5.818 4.103 ( 1.314 -0.245 -3.118) 3.392 4.206 ( -4.733 -2.935 -6.261) 8.379 4.416 ( 15.128 -2.878 6.543) 16.732 4.506 ( -1.516 -7.851 -2.544) 8.391 4.716 ( 2.221 4.767 6.484) 8.349 4.856 ( 3.574 -9.805 -2.255) 10.676 5.441 ( -6.855 -3.990 -1.919) 8.160 5.732 ( 4.110 9.047 0.856) 9.974 5.969 ( -6.337 5.195 -0.072) 8.195 8.037 ( -2.062 4.778 0.352) 5.216 8.515 ( -1.700 -0.045 -3.929) 4.281 8.582 ( 0.266 -4.219 4.195) 5.955 8.785 ( -2.842 4.935 4.029) 6.976 9.020 ( -3.453 4.140 -2.884) 6.113 9.198 ( -0.023 -1.513 0.329) 1.548 9.408 ( 3.597 5.549 3.946) 7.701 9.856 ( 6.999 0.786 5.512) 8.944 9.889 ( -13.290 -2.919 -1.673) 13.710 9.980 ( 3.803 -8.157 -5.383) 10.487 10.269 ( -3.974 2.009 -1.579) 4.725 10.796 ( -1.843 5.146 1.083) 5.572 11.015 ( 1.473 2.629 -2.545) 3.944 11.457 ( -3.330 4.970 5.198) 7.925 11.512 ( -6.421 3.885 5.703) 9.426 11.696 ( 4.868 5.122 -2.166) 7.391 12.057 ( -4.237 11.949 -11.329) 17.002 12.228 ( -2.870 4.236 7.402) 8.998 12.588 ( -3.847 1.516 6.525) 7.725 12.837 ( 0.643 -0.782 -5.102) 5.201 12.847 ( -1.544 -1.732 4.902) 5.424 13.175 ( -0.224 -3.021 -6.307) 6.997 13.353 ( -1.361 -5.518 -3.307) 6.575 13.451 ( 0.018 -0.153 -2.678) 2.682 13.802 ( 5.034 -3.469 -4.564) 7.629 14.063 ( -3.775 1.166 1.961) 4.411 14.134 ( -1.184 -1.553 5.993) 6.303 14.514 ( 7.780 7.347 -1.035) 10.751 14.959 ( -3.156 4.924 -5.222) 7.841 15.236 ( -2.571 -4.322 11.008) 12.102 15.825 ( 0.594 -21.216 -6.423) 22.175 16.098 ( 4.670 6.310 -11.249) 13.718 16.655 ( 8.117 -10.142 9.332) 15.995 16.829 ( 14.933 0.075 -1.157) 14.978 17.343 ( -14.345 3.094 4.820) 15.446 17.923 ( -7.595 11.555 -3.919) 14.372 18.389 ( 4.858 -0.497 1.952) 5.259 18.556 ( -4.237 -4.389 10.123) 11.819 19.145 ( -3.211 -2.143 -10.617) 11.298 19.468 ( 9.579 -5.529 -2.233) 11.283 19.833 ( 0.461 2.526 2.271) 3.428 20.234 ( 0.974 -1.759 1.136) 2.310 ======================= Grid point 122 (65/90) ======================= q-point: (-0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -5.730 -13.348 -15.817) 21.475 2.080 ( 0.024 -21.197 -16.175) 26.664 2.498 ( 6.873 4.911 -0.489) 8.461 2.886 ( 5.483 2.292 3.021) 6.667 3.031 ( 0.258 2.295 13.057) 13.259 3.229 ( -2.915 7.092 -2.198) 7.976 3.498 ( 2.670 1.075 0.059) 2.879 3.680 ( -1.696 -1.334 -0.341) 2.184 3.798 ( -8.307 6.552 -0.064) 10.581 3.920 ( -7.801 -14.284 -8.827) 18.515 4.107 ( -0.545 -2.836 2.739) 3.980 4.353 ( 2.324 -0.934 -7.523) 7.929 4.645 ( 8.432 -2.075 3.323) 9.297 4.851 ( 1.168 2.622 5.382) 6.100 4.912 ( 4.354 -1.314 1.750) 4.874 5.374 ( -0.260 1.326 1.340) 1.903 5.848 ( 2.063 5.123 2.990) 6.280 5.940 ( -4.616 6.988 0.088) 8.375 8.063 ( -1.362 5.874 0.528) 6.052 8.457 ( -0.298 -0.132 -2.450) 2.472 8.616 ( 3.254 -1.224 1.647) 3.847 8.843 ( -4.180 2.989 4.588) 6.889 9.010 ( 0.543 3.050 0.020) 3.098 9.202 ( 1.429 1.099 -0.234) 1.818 9.555 ( 3.051 2.850 6.618) 7.825 9.654 ( -11.665 -1.536 -2.358) 12.000 9.923 ( 1.602 -5.043 -1.857) 5.608 10.038 ( 9.914 -0.098 3.674) 10.574 10.175 ( -3.490 -2.880 -3.289) 5.594 10.809 ( -6.716 6.276 3.235) 9.745 11.096 ( 7.060 4.050 0.132) 8.140 11.459 ( -5.960 0.697 2.502) 6.502 11.584 ( -1.052 6.918 5.800) 9.089 11.782 ( 0.241 9.772 0.092) 9.776 11.971 ( -3.084 12.398 -9.215) 15.752 12.361 ( 1.019 4.938 7.954) 9.417 12.657 ( -2.044 3.345 7.593) 8.545 12.785 ( 0.461 4.437 -5.491) 7.075 12.881 ( 2.419 -10.219 7.504) 12.907 13.064 ( -0.307 -0.231 -9.000) 9.008 13.273 ( -1.167 -3.380 -0.463) 3.605 13.469 ( 4.524 0.160 1.944) 4.927 13.765 ( 2.264 -5.426 -5.131) 7.804 13.948 ( -7.249 -2.637 -1.580) 7.874 14.246 ( 2.270 0.119 7.036) 7.394 14.567 ( -3.101 8.873 -8.907) 12.949 14.927 ( -1.905 -0.119 4.491) 4.880 15.318 ( 1.080 -1.202 4.166) 4.469 15.564 ( 3.072 -19.641 -6.839) 21.024 16.099 ( 6.745 3.646 -9.542) 12.241 16.676 ( -4.681 -13.408 4.985) 15.051 16.873 ( -2.131 -4.068 -2.716) 5.335 17.427 ( 6.682 7.730 7.498) 12.674 17.914 ( -3.878 14.737 -1.285) 15.293 18.466 ( 5.847 -0.923 -4.665) 7.537 18.497 ( -10.160 -3.800 7.743) 13.327 19.018 ( 4.719 -3.987 -7.611) 9.802 19.480 ( 2.261 -9.586 0.774) 9.879 19.897 ( 0.384 5.325 1.001) 5.432 20.219 ( -1.671 -2.816 0.105) 3.277 ======================= Grid point 123 (66/90) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 0.792 -17.022 -15.813) 23.247 1.760 ( 8.792 -24.260 -15.389) 30.044 2.595 ( 1.076 5.656 0.102) 5.758 2.936 ( 1.306 -11.536 -2.755) 11.932 3.117 ( -5.386 1.332 3.578) 6.602 3.233 ( 1.484 -8.608 -4.590) 9.867 3.359 ( -6.415 -3.329 -1.049) 7.303 3.610 ( 2.074 -0.549 -4.062) 4.594 3.729 ( -5.061 6.168 0.196) 7.981 3.840 ( 3.320 5.863 -1.893) 6.998 4.131 ( -0.117 0.814 5.973) 6.030 4.360 ( 2.369 3.196 -0.559) 4.018 4.733 ( -0.644 1.839 1.219) 2.298 4.814 ( -6.374 -5.792 1.995) 8.841 5.061 ( 11.574 1.614 2.162) 11.884 5.399 ( -5.267 4.526 1.516) 7.108 5.925 ( -5.088 6.352 3.677) 8.931 5.996 ( 4.977 6.132 1.659) 8.070 8.102 ( -0.744 5.891 0.519) 5.960 8.434 ( 0.637 -0.746 -1.776) 2.029 8.681 ( 3.716 -0.017 -1.639) 4.062 8.837 ( -0.172 0.432 1.486) 1.557 9.056 ( 1.581 -0.296 2.942) 3.353 9.252 ( 1.034 5.379 -0.377) 5.490 9.465 ( -11.786 1.589 1.186) 11.951 9.700 ( 0.642 -1.045 3.549) 3.755 9.897 ( 1.349 0.863 1.976) 2.544 10.095 ( 1.893 -4.411 -2.129) 5.251 10.223 ( 9.214 -0.332 4.368) 10.202 10.784 ( -6.637 0.855 3.444) 7.526 11.259 ( 6.724 7.552 1.888) 10.286 11.401 ( -5.050 1.765 1.237) 5.490 11.688 ( -1.637 9.256 1.727) 9.557 11.862 ( -4.156 10.473 4.861) 12.272 11.949 ( 1.814 11.371 -8.487) 14.304 12.507 ( 0.041 4.347 8.659) 9.689 12.704 ( -2.549 -4.347 6.341) 8.100 12.772 ( -1.371 4.583 -4.162) 6.341 12.946 ( 2.195 0.030 -6.421) 6.785 13.011 ( 6.128 -3.333 8.606) 11.078 13.262 ( 1.806 -4.289 2.336) 5.208 13.578 ( 9.277 -4.704 -8.859) 13.663 13.670 ( -1.568 -1.133 1.605) 2.513 13.817 ( -6.737 -4.086 2.817) 8.367 14.302 ( -3.265 1.842 -5.004) 6.253 14.462 ( -2.209 5.433 -1.029) 5.955 14.922 ( -4.673 -7.583 2.844) 9.350 15.293 ( 7.513 0.918 -8.416) 11.319 15.558 ( 5.047 -9.684 7.932) 13.497 16.103 ( 7.981 0.446 -9.232) 12.212 16.496 ( -13.057 -11.387 5.417) 18.152 16.715 ( -7.608 -2.008 -5.773) 9.759 17.694 ( 9.193 5.517 6.600) 12.590 17.987 ( -0.007 11.687 -1.892) 11.839 18.380 ( -2.881 0.116 -1.369) 3.192 18.521 ( 0.899 1.796 -1.460) 2.483 18.977 ( 6.028 -10.267 -3.733) 12.478 19.420 ( -2.669 -8.838 3.390) 9.835 19.940 ( -0.961 5.921 -0.548) 6.024 20.149 ( -3.329 -4.248 -0.688) 5.440 ======================= Grid point 124 (67/90) ======================= q-point: (-0.12 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 10.935 -18.056 -13.396) 25.001 1.568 ( 14.099 -24.819 -12.125) 31.012 2.584 ( 7.138 -33.491 -12.522) 36.461 2.654 ( 0.943 -3.347 -1.304) 3.713 3.036 ( -2.421 -1.122 -4.015) 4.821 3.136 ( -2.963 -1.101 -0.573) 3.213 3.439 ( 0.958 6.146 6.771) 9.194 3.643 ( -1.164 7.706 -0.386) 7.803 3.678 ( -6.521 4.328 1.276) 7.930 3.910 ( 3.276 4.357 -4.263) 6.920 4.281 ( 3.281 4.708 8.810) 10.514 4.415 ( 0.451 4.784 0.634) 4.847 4.678 ( -7.153 -5.528 0.950) 9.090 4.722 ( -2.810 2.799 -1.524) 4.249 5.250 ( 11.555 -4.180 1.046) 12.332 5.331 ( -12.501 7.242 2.354) 14.638 5.955 ( -5.265 7.368 4.392) 10.065 6.125 ( 3.750 4.924 0.331) 6.198 8.153 ( 0.127 5.960 0.798) 6.014 8.419 ( 1.807 -1.320 -1.571) 2.734 8.606 ( -5.909 -3.331 -3.258) 7.525 8.940 ( 12.390 -0.502 -2.557) 12.661 9.141 ( 5.737 -1.640 2.773) 6.580 9.211 ( -9.713 2.760 -1.612) 10.226 9.404 ( -7.415 6.995 5.022) 11.364 9.664 ( -2.093 -1.204 0.566) 2.480 10.026 ( 2.023 4.127 3.861) 6.003 10.102 ( 3.615 -2.339 1.746) 4.646 10.331 ( 0.312 -1.863 1.567) 2.454 10.770 ( -0.974 0.972 4.656) 4.855 11.305 ( 3.162 -9.217 -1.958) 9.939 11.500 ( -1.463 19.788 2.493) 19.998 11.716 ( -5.531 11.178 -0.686) 12.490 11.896 ( -4.804 10.930 -3.430) 12.422 12.073 ( 7.406 7.267 6.189) 12.081 12.627 ( -5.339 5.806 9.430) 12.294 12.688 ( -2.792 -5.116 1.733) 6.080 12.724 ( -0.430 -1.135 -1.079) 1.624 12.915 ( 3.170 1.843 -4.214) 5.586 13.192 ( 3.168 -2.028 2.005) 4.262 13.277 ( 3.932 -7.385 5.974) 10.281 13.468 ( 2.673 -9.011 -0.417) 9.409 13.562 ( -6.527 -8.304 -5.666) 11.986 13.914 ( 3.879 3.806 5.372) 7.641 14.147 ( 1.864 6.220 -14.520) 15.906 14.541 ( -2.538 2.981 5.692) 6.909 14.816 ( 4.803 -7.734 -3.264) 9.671 15.391 ( 7.034 5.193 0.166) 8.745 15.538 ( -5.757 -14.643 1.629) 15.818 16.125 ( 8.950 -2.302 -5.940) 10.986 16.346 ( -8.459 -1.344 7.256) 11.225 16.542 ( -6.699 0.663 -3.863) 7.761 17.889 ( 1.889 1.480 6.684) 7.101 18.054 ( 8.309 3.303 -4.341) 9.940 18.348 ( -5.981 9.945 -3.589) 12.147 18.477 ( -2.993 0.126 -4.394) 5.318 18.909 ( 4.188 -12.201 -4.475) 13.654 19.381 ( -1.425 -6.626 6.010) 9.058 19.967 ( 0.004 3.979 -0.103) 3.980 20.070 ( -2.207 -3.602 1.147) 4.377 ======================= Grid point 152 (68/90) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 0.000 -0.000 19.592) 19.592 1.916 ( 0.000 -0.000 19.592) 19.592 2.973 ( -0.000 0.000 -4.927) 4.927 2.973 ( -0.000 0.000 -4.927) 4.927 3.129 ( 0.000 -0.000 24.806) 24.806 3.251 ( 0.000 -0.000 1.821) 1.821 3.722 ( -0.000 0.000 -7.296) 7.296 3.722 ( -0.000 0.000 -7.296) 7.296 3.744 ( 0.000 -0.000 6.648) 6.648 4.048 ( 0.000 -0.000 3.152) 3.152 4.048 ( 0.000 -0.000 3.152) 3.152 4.152 ( 0.000 -0.000 9.705) 9.705 4.617 ( -0.000 0.000 -6.001) 6.001 4.617 ( -0.000 0.000 -6.001) 6.001 4.827 ( -0.000 0.000 -4.250) 4.250 5.665 ( -0.000 0.000 -0.347) 0.347 5.887 ( -0.000 0.000 -7.324) 7.324 5.887 ( -0.000 0.000 -7.324) 7.324 8.397 ( 0.000 0.000 -0.407) 0.407 8.397 ( -0.000 0.000 -0.407) 0.407 8.604 ( -0.000 0.000 -13.772) 13.772 8.912 ( 0.000 0.000 -5.210) 5.210 8.912 ( -0.000 0.000 -5.210) 5.210 9.038 ( 0.000 -0.000 1.706) 1.706 9.468 ( -0.000 0.000 -2.035) 2.035 9.468 ( -0.000 0.000 -2.035) 2.035 9.637 ( -0.000 0.000 -2.101) 2.101 10.007 ( 0.000 -0.000 3.733) 3.733 10.007 ( 0.000 -0.000 3.733) 3.733 10.832 ( -0.000 0.000 -1.962) 1.962 10.832 ( -0.000 0.000 -1.962) 1.962 11.818 ( -0.000 0.000 -3.553) 3.553 11.818 ( 0.000 0.000 -3.553) 3.553 11.881 ( -0.000 0.000 -13.274) 13.274 12.019 ( -0.000 0.000 -8.748) 8.748 12.019 ( -0.000 0.000 -8.748) 8.748 12.311 ( -0.000 0.000 -8.861) 8.861 13.223 ( 0.000 -0.000 2.022) 2.022 13.223 ( 0.000 -0.000 2.022) 2.022 13.275 ( 0.000 -0.000 9.880) 9.880 13.286 ( 0.000 -0.000 9.919) 9.919 13.767 ( -0.000 0.000 -7.945) 7.945 13.767 ( -0.000 0.000 -7.945) 7.945 13.913 ( 0.000 -0.000 7.115) 7.115 13.976 ( 0.000 -0.000 17.100) 17.100 14.744 ( -0.000 0.000 -6.764) 6.764 14.791 ( 0.000 -0.000 0.642) 0.642 14.791 ( 0.000 -0.000 0.642) 0.642 15.745 ( 0.000 -0.000 6.330) 6.330 15.745 ( 0.000 -0.000 6.330) 6.330 16.800 ( 0.000 -0.000 6.789) 6.789 16.800 ( 0.000 -0.000 6.789) 6.789 17.790 ( -0.000 0.000 -6.207) 6.207 18.404 ( -0.000 0.000 -12.863) 12.863 18.630 ( 0.000 -0.000 2.279) 2.279 18.630 ( 0.000 0.000 2.279) 2.279 18.707 ( 0.000 -0.000 4.226) 4.226 18.707 ( 0.000 -0.000 4.226) 4.226 19.931 ( 0.000 -0.000 4.998) 4.998 20.298 ( -0.000 0.000 -1.213) 1.213 ======================= Grid point 153 (69/90) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 2.483 2.444 16.545) 16.908 2.218 ( 6.688 1.866 13.722) 15.379 2.746 ( -11.340 -6.421 -5.335) 14.081 2.965 ( 3.359 2.397 -8.018) 9.018 3.189 ( -5.103 -8.555 -1.156) 10.028 3.357 ( -2.448 -1.342 6.867) 7.413 3.587 ( -5.619 6.239 0.625) 8.420 3.651 ( -1.333 -2.086 -0.601) 2.547 3.886 ( 5.814 4.607 -2.949) 7.983 3.981 ( -3.764 -2.758 3.391) 5.768 4.186 ( 5.864 0.754 4.790) 7.609 4.342 ( 2.426 1.280 14.018) 14.284 4.468 ( -4.989 -3.583 -3.103) 6.882 4.596 ( 2.543 -0.645 -3.551) 4.415 4.860 ( 3.965 5.801 -1.997) 7.305 5.534 ( -8.676 -8.289 -1.276) 12.067 5.746 ( -2.511 0.034 -6.607) 7.068 5.915 ( 6.362 4.314 -6.308) 9.944 8.340 ( -0.552 -3.739 -0.227) 3.786 8.354 ( -7.677 -1.184 -9.182) 12.027 8.492 ( 5.723 3.703 -1.973) 7.096 8.821 ( 1.763 0.342 -6.210) 6.465 8.907 ( 2.910 0.851 -7.499) 8.089 9.065 ( 0.640 0.476 1.602) 1.789 9.412 ( -2.923 0.084 1.698) 3.382 9.506 ( 1.808 3.965 -0.818) 4.434 9.678 ( 7.443 0.418 -1.756) 7.659 9.981 ( -5.145 -0.549 4.116) 6.612 10.132 ( 5.286 0.825 3.061) 6.164 10.828 ( 1.097 3.106 0.374) 3.315 10.858 ( 4.526 0.363 -2.160) 5.028 11.629 ( -7.263 -2.436 -3.698) 8.507 11.749 ( 4.100 0.721 -10.852) 11.623 11.806 ( -5.146 -5.411 -8.776) 11.523 11.930 ( -0.639 -0.758 -5.776) 5.860 11.985 ( 9.628 9.424 -6.956) 15.162 12.246 ( 3.480 1.736 -6.764) 7.803 13.042 ( -12.058 -7.330 -1.181) 14.161 13.203 ( -2.231 -0.346 -0.313) 2.280 13.379 ( -1.817 -2.363 5.207) 6.000 13.455 ( -1.995 -2.641 11.320) 11.794 13.615 ( 5.987 1.226 -3.413) 7.000 13.866 ( 8.400 6.414 -8.362) 13.477 13.979 ( -2.585 -1.448 6.268) 6.934 14.076 ( 0.175 -0.185 -2.502) 2.515 14.651 ( -8.203 -1.297 14.203) 16.453 14.733 ( -5.656 2.542 -2.286) 6.609 14.934 ( 10.757 0.163 -2.058) 10.954 15.735 ( -2.328 -5.829 8.885) 10.879 15.987 ( 7.409 7.709 7.368) 12.985 16.822 ( -4.986 -2.566 5.929) 8.161 16.919 ( 2.705 1.667 6.520) 7.253 17.646 ( -4.027 -4.390 -8.613) 10.473 18.148 ( -11.091 -3.421 -9.542) 15.026 18.466 ( -6.051 -4.006 -1.657) 7.444 18.675 ( 3.968 -4.669 -0.705) 6.168 18.819 ( 1.152 10.637 2.932) 11.093 18.992 ( 12.915 3.927 9.076) 16.266 20.007 ( 1.364 0.222 4.663) 4.863 20.250 ( -3.042 -1.456 -1.669) 3.763 ======================= Grid point 154 (70/90) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -8.651 -2.411 1.953) 9.191 2.415 ( 2.356 -1.749 6.559) 7.186 2.549 ( 1.405 -2.257 4.994) 5.657 2.881 ( -4.335 -4.875 -7.345) 9.824 3.065 ( 2.303 -2.019 -0.027) 3.063 3.250 ( -6.984 -3.719 -1.202) 8.003 3.583 ( -6.244 3.659 -1.025) 7.309 3.654 ( -1.384 4.635 0.594) 4.874 3.844 ( -3.959 -0.316 -4.339) 5.882 4.027 ( 5.753 0.218 0.599) 5.788 4.280 ( 1.972 -3.813 -1.928) 4.706 4.365 ( -2.214 2.580 1.206) 3.607 4.551 ( -6.829 -3.915 3.936) 8.800 4.646 ( 9.990 -1.172 16.322) 19.172 4.912 ( -1.281 9.300 -2.623) 9.747 5.343 ( -3.893 -12.043 -0.521) 12.667 5.702 ( 2.975 4.690 -3.891) 6.782 5.936 ( 3.064 3.101 -6.140) 7.530 8.143 ( -3.784 -2.012 -7.388) 8.541 8.354 ( 1.694 -1.445 2.191) 3.124 8.572 ( 4.539 3.164 -2.460) 6.055 8.800 ( 1.895 5.551 -4.270) 7.255 8.873 ( 4.648 -2.812 -4.907) 7.320 9.106 ( 0.640 1.283 2.937) 3.268 9.404 ( -3.044 4.265 0.411) 5.256 9.575 ( 2.729 4.464 1.548) 5.456 9.779 ( 10.013 -0.843 -2.908) 10.460 9.973 ( -3.164 -0.615 5.654) 6.508 10.213 ( 3.593 0.026 -0.719) 3.664 10.885 ( -0.785 4.620 2.592) 5.355 10.918 ( 7.240 0.377 -2.629) 7.712 11.489 ( -6.983 1.064 -2.924) 7.645 11.607 ( 0.170 -7.047 -7.466) 10.268 11.738 ( 8.736 1.937 -8.437) 12.299 11.812 ( -3.804 0.487 -5.772) 6.930 12.125 ( 8.995 9.954 -8.327) 15.790 12.279 ( 7.053 3.472 -1.592) 8.021 12.836 ( -7.845 -4.588 -0.236) 9.091 13.160 ( -2.054 0.441 -1.916) 2.844 13.320 ( -4.775 -7.169 4.237) 9.599 13.522 ( -1.042 -4.115 8.287) 9.312 13.737 ( 4.319 1.783 -0.884) 4.755 13.819 ( 3.747 -6.288 -11.706) 13.806 13.952 ( -1.826 5.718 -2.132) 6.370 14.078 ( 1.720 4.059 -1.560) 4.676 14.584 ( -11.010 1.056 -0.503) 11.072 14.827 ( -2.022 -0.918 19.470) 19.596 15.036 ( 6.797 2.645 -3.095) 7.923 15.782 ( 0.540 -7.748 9.393) 12.188 16.178 ( 1.988 3.278 2.020) 4.333 16.745 ( -11.129 -1.508 4.127) 11.965 17.085 ( 6.973 3.587 6.847) 10.410 17.454 ( -4.533 -10.001 -2.939) 11.367 17.863 ( -7.718 4.144 -13.846) 16.384 18.371 ( -3.030 -4.234 1.279) 5.361 18.666 ( -0.350 -6.106 1.673) 6.341 18.943 ( 1.182 8.178 2.310) 8.580 19.283 ( 11.040 4.909 4.676) 12.956 20.044 ( -2.134 -2.712 1.214) 3.658 20.187 ( -1.674 -0.181 0.609) 1.791 ======================= Grid point 155 (71/90) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -17.507 -9.256 -0.428) 19.808 2.366 ( -10.665 -15.732 4.566) 19.547 2.604 ( -1.352 1.923 -6.973) 7.359 2.839 ( 7.791 0.436 6.402) 10.093 3.142 ( -3.033 -1.713 -1.234) 3.695 3.174 ( 7.919 6.315 -1.874) 10.301 3.519 ( -2.437 0.761 -0.108) 2.555 3.642 ( -2.486 6.745 -3.969) 8.212 3.741 ( -4.202 -1.624 -0.978) 4.610 4.062 ( -13.708 -7.012 2.984) 15.684 4.152 ( 2.566 -5.502 -2.995) 6.770 4.318 ( -4.250 -3.503 1.018) 5.601 4.568 ( -1.445 5.277 7.288) 9.113 4.912 ( 0.636 5.417 1.996) 5.808 4.972 ( 9.558 0.588 3.150) 10.081 5.243 ( 0.342 -6.587 1.571) 6.780 5.774 ( 5.843 5.739 -3.047) 8.738 5.917 ( 2.219 2.032 -5.442) 6.218 8.042 ( 0.223 0.400 -4.409) 4.432 8.402 ( 2.536 -2.501 2.643) 4.435 8.604 ( 1.545 0.545 -0.513) 1.716 8.863 ( 2.739 -0.113 -3.570) 4.501 8.879 ( 6.630 7.305 -2.068) 10.080 9.171 ( 1.138 1.622 2.871) 3.489 9.410 ( -2.899 7.118 0.223) 7.689 9.672 ( 1.954 3.059 2.860) 4.621 9.845 ( 6.885 -4.171 -1.873) 8.265 10.025 ( 2.064 0.035 3.606) 4.155 10.232 ( 3.395 -0.523 -2.753) 4.401 10.925 ( -1.743 3.194 -0.569) 3.683 10.981 ( 5.285 2.170 -1.879) 6.014 11.382 ( -4.835 3.772 -1.742) 6.374 11.564 ( 7.517 -5.599 -0.939) 9.420 11.705 ( -3.062 0.708 -4.170) 5.222 11.784 ( 8.653 3.522 -9.348) 13.216 12.216 ( 8.430 9.102 -5.713) 13.659 12.448 ( 9.708 7.272 0.449) 12.138 12.760 ( -1.638 -1.996 2.635) 3.690 13.090 ( -4.011 0.258 -4.336) 5.912 13.268 ( -2.314 -6.395 3.451) 7.626 13.552 ( 0.513 -10.621 2.970) 11.041 13.577 ( -2.890 -1.207 -8.247) 8.822 13.806 ( 0.031 -3.543 -0.508) 3.580 13.966 ( 1.342 5.603 -5.049) 7.661 14.113 ( -1.883 5.964 1.415) 6.412 14.454 ( -4.602 -0.576 -1.434) 4.855 15.014 ( -2.977 -2.865 18.980) 19.425 15.083 ( 2.199 4.761 -4.921) 7.191 15.850 ( 2.323 -8.463 9.514) 12.944 16.089 ( -4.904 -4.802 -9.755) 11.928 16.664 ( -11.942 2.763 9.333) 15.407 17.164 ( -14.727 -10.840 3.527) 18.624 17.407 ( 13.675 8.437 -0.206) 16.070 17.724 ( 5.155 6.336 -13.727) 15.974 18.334 ( -2.934 -5.839 6.155) 8.977 18.607 ( -4.456 -2.890 0.550) 5.339 19.035 ( 1.230 -1.059 4.992) 5.249 19.477 ( 5.894 6.601 -0.203) 8.852 19.948 ( -4.465 -3.152 -2.262) 5.915 20.206 ( -0.561 0.213 2.414) 2.488 ======================= Grid point 156 (72/90) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -16.529 -10.273 7.929) 21.015 2.056 ( -18.583 -20.571 6.598) 28.496 2.555 ( 2.395 2.000 -4.690) 5.633 3.000 ( 4.964 -1.225 0.653) 5.154 3.093 ( -1.955 2.035 1.009) 2.997 3.262 ( 5.065 7.998 -9.851) 13.662 3.533 ( -0.479 -6.218 1.524) 6.420 3.619 ( -9.895 7.965 2.369) 12.921 3.676 ( -5.827 -1.522 0.570) 6.050 3.762 ( -9.210 -9.028 9.291) 15.895 4.162 ( 3.363 1.046 -5.086) 6.186 4.307 ( 2.476 -3.035 2.363) 4.574 4.676 ( 1.209 5.367 2.483) 6.036 4.904 ( -6.149 5.083 -0.792) 8.017 5.069 ( 9.854 -11.171 -3.656) 15.338 5.309 ( 2.049 6.035 3.667) 7.353 5.861 ( 4.287 7.247 -3.395) 9.079 5.924 ( 6.018 -0.318 -3.098) 6.776 8.039 ( 3.043 2.335 -2.131) 4.389 8.430 ( 0.425 -2.754 2.029) 3.447 8.639 ( 2.502 -1.326 2.189) 3.580 8.851 ( 0.527 0.564 -2.172) 2.305 9.015 ( 7.070 6.878 -2.854) 10.269 9.208 ( 0.727 -0.508 0.543) 1.040 9.441 ( -3.441 9.391 0.638) 10.022 9.721 ( 0.606 -0.624 0.544) 1.025 9.884 ( 4.184 -3.012 0.268) 5.162 10.088 ( 1.519 -1.036 2.664) 3.237 10.242 ( 5.091 -3.081 -3.276) 6.793 10.858 ( -3.350 2.972 -6.495) 7.889 11.088 ( 8.974 4.687 -0.724) 10.150 11.405 ( -0.788 2.908 4.063) 5.058 11.601 ( 2.110 2.145 -3.705) 4.773 11.716 ( 6.500 2.472 3.244) 7.673 11.809 ( 7.897 3.683 -8.968) 12.504 12.386 ( 11.439 8.390 -2.511) 14.406 12.634 ( 6.841 8.266 -0.170) 10.731 12.798 ( 2.470 -2.061 3.079) 4.453 12.939 ( -7.461 -2.131 -3.855) 8.664 13.197 ( -1.564 -7.347 -3.760) 8.400 13.383 ( -2.288 -4.692 -7.097) 8.810 13.568 ( 1.064 -7.077 3.324) 7.891 13.739 ( -4.319 -3.328 0.196) 5.456 13.920 ( -3.786 1.625 -3.950) 5.708 14.175 ( -5.002 8.177 8.813) 13.021 14.427 ( 4.652 -0.177 -4.301) 6.338 15.039 ( -7.279 3.445 -0.938) 8.107 15.167 ( 3.850 -5.290 10.415) 12.300 15.817 ( -6.527 -6.386 -9.682) 13.309 15.964 ( 5.270 -7.307 8.624) 12.472 16.662 ( -10.913 4.459 10.559) 15.826 16.837 ( -17.987 -2.951 -5.750) 19.113 17.684 ( 10.409 3.552 -5.660) 12.369 17.740 ( 13.861 5.128 -3.307) 15.145 18.346 ( -2.709 -5.805 9.747) 11.664 18.530 ( -3.964 2.388 -1.904) 5.004 19.061 ( -1.165 -10.103 5.640) 11.629 19.534 ( -2.505 3.719 -2.083) 4.944 19.875 ( 0.537 2.430 -2.635) 3.625 20.204 ( -3.268 -0.458 1.408) 3.588 ======================= Grid point 161 (73/90) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 0.162 2.169 12.968) 13.150 2.356 ( -0.386 4.402 7.913) 9.063 2.720 ( -1.909 -3.866 -9.150) 10.115 2.833 ( 1.951 1.552 -4.770) 5.382 3.194 ( -5.768 -7.881 0.039) 9.766 3.389 ( 1.855 -6.047 -1.730) 6.557 3.609 ( 4.255 -1.168 2.593) 5.118 3.652 ( 2.978 3.045 -3.696) 5.639 3.801 ( -0.753 -2.877 -1.768) 3.460 4.032 ( -2.685 -5.871 2.751) 7.018 4.172 ( 1.607 -0.592 3.434) 3.837 4.507 ( -3.984 1.735 -0.593) 4.386 4.528 ( 2.236 0.461 -0.155) 2.288 4.547 ( -1.677 6.968 11.220) 13.314 4.877 ( 3.014 5.458 4.366) 7.612 5.508 ( -2.565 -10.167 -2.158) 10.705 5.751 ( -7.487 1.797 -6.235) 9.908 5.768 ( 8.892 4.019 -5.256) 11.083 8.221 ( -0.067 -6.176 -9.245) 11.118 8.377 ( -1.215 1.305 -0.140) 1.789 8.445 ( 0.856 4.259 -2.221) 4.879 8.703 ( 0.794 -4.380 -2.685) 5.198 8.873 ( -1.226 7.726 -7.184) 10.621 9.095 ( 0.255 1.028 2.944) 3.129 9.440 ( 4.557 -2.158 -0.610) 5.079 9.477 ( -1.736 2.170 1.918) 3.376 9.671 ( -2.237 8.599 -2.071) 9.124 10.029 ( 1.466 -4.192 3.545) 5.682 10.166 ( -1.380 3.606 2.330) 4.509 10.814 ( -0.171 -0.231 1.878) 1.900 10.877 ( 0.453 5.453 1.135) 5.589 11.527 ( 0.197 -8.214 -5.659) 9.977 11.641 ( 0.764 -6.547 -7.476) 9.967 11.702 ( -3.833 -0.660 -9.036) 9.838 11.878 ( -0.381 3.441 -7.282) 8.063 11.898 ( 3.988 11.934 -6.149) 14.005 12.178 ( -0.557 5.812 -4.572) 7.416 13.049 ( 3.417 -11.583 -1.472) 12.165 13.138 ( -3.002 -3.026 -5.694) 7.113 13.431 ( -1.779 2.020 1.556) 3.109 13.512 ( -1.857 -8.616 0.289) 8.818 13.623 ( 0.468 2.077 11.054) 11.257 13.794 ( -0.156 7.131 -6.801) 9.856 13.978 ( 1.729 0.124 -10.534) 10.675 14.060 ( -0.114 -0.527 5.321) 5.348 14.721 ( 4.672 -2.500 1.862) 5.616 14.819 ( -4.165 4.333 -3.364) 6.887 14.960 ( 1.400 -4.563 18.948) 19.540 15.885 ( -5.243 0.366 10.177) 11.455 16.057 ( 3.583 7.390 6.702) 10.600 16.913 ( 3.013 -2.896 4.076) 5.838 16.957 ( -1.967 0.191 4.361) 4.788 17.519 ( -1.746 0.920 -14.200) 14.336 18.062 ( 3.050 -14.684 -4.497) 15.657 18.438 ( -1.916 -11.197 1.668) 11.482 18.656 ( -5.314 0.835 0.182) 5.383 18.828 ( 7.317 3.129 3.283) 8.609 19.137 ( -1.786 18.302 4.790) 19.002 20.063 ( -0.334 0.346 4.276) 4.303 20.229 ( 0.200 -2.603 -1.698) 3.114 ======================= Grid point 162 (74/90) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -6.389 -2.421 -2.553) 7.294 2.444 ( 0.420 0.064 4.087) 4.109 2.587 ( 1.489 1.907 2.558) 3.521 2.829 ( -2.526 0.585 -4.776) 5.434 3.044 ( -3.579 -2.664 0.732) 4.521 3.290 ( -4.096 -6.400 -0.363) 7.607 3.591 ( 0.202 -5.859 -3.503) 6.829 3.669 ( -0.967 -0.903 -2.490) 2.820 3.844 ( 11.505 -0.235 -1.778) 11.644 3.922 ( -7.252 -2.976 0.048) 7.839 4.226 ( 1.342 -1.552 -0.589) 2.135 4.465 ( -3.056 3.765 2.829) 5.614 4.642 ( 3.373 0.329 6.603) 7.422 4.701 ( 1.540 2.482 7.845) 8.371 4.996 ( -1.665 5.521 3.047) 6.522 5.350 ( -6.500 -7.306 0.303) 9.784 5.635 ( 0.705 1.352 -5.071) 5.295 5.838 ( 4.932 3.321 -4.840) 7.666 8.068 ( -1.364 -3.529 -6.541) 7.557 8.359 ( -0.697 0.753 0.209) 1.047 8.508 ( 4.322 4.122 -1.226) 6.097 8.705 ( 4.704 -2.471 -0.134) 5.315 8.839 ( -0.615 6.965 -4.761) 8.459 9.154 ( 0.453 1.332 4.108) 4.343 9.497 ( 0.203 3.602 1.709) 3.992 9.508 ( 4.838 1.342 -1.942) 5.383 9.706 ( 0.683 8.268 -1.648) 8.458 10.047 ( 0.250 -3.604 3.407) 4.966 10.184 ( -0.861 1.651 -0.790) 2.023 10.856 ( 1.811 -0.082 2.236) 2.878 10.964 ( 0.716 5.036 3.672) 6.274 11.408 ( 2.363 -10.360 -4.418) 11.508 11.501 ( -0.857 -4.849 -5.004) 7.021 11.606 ( 1.524 5.843 -7.188) 9.388 11.766 ( -2.262 1.585 -8.506) 8.943 12.036 ( 7.025 13.626 -5.774) 16.381 12.211 ( 3.756 7.001 -1.428) 8.072 12.917 ( -7.121 -6.050 0.916) 9.389 13.073 ( 4.756 -2.381 -5.987) 8.008 13.357 ( -4.494 -7.710 2.488) 9.264 13.500 ( 2.648 -3.437 -0.392) 4.356 13.649 ( -2.688 -5.559 -10.252) 11.968 13.760 ( 0.863 2.435 6.293) 6.802 13.980 ( 2.096 9.758 -4.934) 11.134 14.097 ( -1.155 -1.157 4.210) 4.516 14.671 ( -8.371 0.574 -4.932) 9.733 14.810 ( 7.480 -1.063 -1.325) 7.670 15.209 ( 1.075 -4.871 22.526) 23.072 15.903 ( -8.030 0.526 8.893) 11.993 16.191 ( -0.310 1.052 -1.028) 1.504 16.919 ( -5.334 -0.294 4.249) 6.825 17.050 ( 9.222 3.212 1.537) 9.885 17.359 ( 0.259 -1.252 -8.337) 8.435 17.842 ( -9.339 -10.781 -6.696) 15.757 18.359 ( -0.117 -9.541 3.991) 10.343 18.669 ( -0.069 -2.462 5.843) 6.341 18.961 ( 4.700 2.762 -0.342) 5.463 19.317 ( 2.332 17.087 0.364) 17.249 20.067 ( -2.574 -4.599 0.939) 5.353 20.209 ( -0.006 0.471 1.183) 1.274 ======================= Grid point 163 (75/90) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -13.652 -4.325 0.798) 14.343 2.431 ( -3.190 -5.527 1.821) 6.637 2.627 ( -11.675 -4.622 -2.982) 12.906 2.749 ( 9.218 2.323 1.319) 9.598 3.068 ( 3.860 2.498 -4.208) 6.233 3.242 ( -3.056 3.809 4.323) 6.522 3.468 ( 0.425 -9.200 -5.150) 10.551 3.630 ( 1.349 1.400 -3.645) 4.131 3.801 ( -5.617 -3.101 0.139) 6.417 3.987 ( 7.572 1.992 0.293) 7.835 4.198 ( -0.389 -4.452 0.210) 4.474 4.461 ( -11.093 3.865 3.793) 12.344 4.725 ( -3.261 -1.837 7.427) 8.317 4.788 ( 6.025 -6.875 0.101) 9.142 5.016 ( -2.807 4.472 0.867) 5.350 5.277 ( -1.923 1.479 2.711) 3.638 5.663 ( 7.603 0.850 -3.035) 8.230 5.849 ( 1.910 3.450 -4.669) 6.112 7.988 ( 0.638 -0.135 -3.268) 3.332 8.382 ( 1.704 -0.221 1.547) 2.312 8.579 ( 2.661 2.826 -0.117) 3.884 8.768 ( 5.444 -0.483 -0.241) 5.471 8.865 ( 2.100 8.180 -2.726) 8.874 9.211 ( -0.101 0.572 2.691) 2.753 9.531 ( 0.415 3.420 0.279) 3.456 9.574 ( 3.565 2.321 -1.901) 4.659 9.790 ( 3.455 5.742 2.157) 7.040 10.068 ( 1.324 -4.346 3.173) 5.541 10.161 ( -0.639 2.820 -3.258) 4.356 10.869 ( -0.671 0.069 -2.595) 2.681 11.030 ( 0.011 -0.764 2.539) 2.652 11.368 ( 5.013 -2.703 0.085) 5.696 11.476 ( 2.460 0.952 2.341) 3.527 11.616 ( 3.177 2.718 -6.352) 7.604 11.667 ( 1.699 4.115 -8.169) 9.304 12.143 ( 4.793 13.517 -5.792) 15.467 12.373 ( 9.592 7.391 1.078) 12.157 12.831 ( -4.005 -2.489 2.658) 5.413 13.032 ( 1.296 -1.567 -5.185) 5.569 13.271 ( -3.751 -7.242 0.615) 8.179 13.423 ( -1.679 -6.535 -5.622) 8.782 13.540 ( 2.107 -1.735 -1.779) 3.258 13.828 ( 0.443 -2.501 3.369) 4.219 13.990 ( -4.405 8.969 -2.872) 10.398 14.152 ( 3.692 -0.144 3.631) 5.180 14.500 ( -7.580 -1.903 -2.895) 8.334 14.880 ( 7.533 -0.688 -3.340) 8.269 15.421 ( -5.065 -2.791 20.024) 20.842 15.893 ( -4.710 -3.531 6.695) 8.915 16.022 ( -7.684 -3.442 -10.639) 13.568 16.907 ( -5.520 1.626 4.839) 7.519 17.230 ( 1.319 -9.421 -0.734) 9.541 17.329 ( 7.864 4.494 6.135) 10.940 17.550 ( -4.726 3.277 -15.520) 16.552 18.365 ( 1.273 -8.333 6.670) 10.749 18.702 ( -5.973 -0.660 6.902) 9.152 19.001 ( 4.010 -2.892 -1.931) 5.308 19.473 ( 4.228 13.179 -2.695) 14.101 19.966 ( -4.717 -5.679 -0.576) 7.404 20.243 ( 0.017 0.948 1.981) 2.197 ======================= Grid point 164 (76/90) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -14.717 -3.339 10.123) 18.171 2.284 ( -17.707 -12.386 10.028) 23.822 2.470 ( 1.914 -1.664 -4.682) 5.325 2.866 ( 7.614 0.799 -4.571) 8.917 3.083 ( 4.852 3.271 -4.655) 7.478 3.228 ( -5.619 -1.458 -2.821) 6.455 3.437 ( 7.177 -1.647 -0.249) 7.368 3.659 ( 2.977 8.047 -3.724) 9.354 3.731 ( -3.526 -0.711 2.872) 4.603 4.055 ( -4.737 -0.147 1.714) 5.040 4.157 ( -2.371 -1.660 1.096) 3.095 4.338 ( -11.751 -4.218 8.831) 15.292 4.713 ( -2.373 -4.080 0.958) 4.816 4.809 ( 9.128 -4.692 -4.132) 11.064 4.999 ( -3.241 0.052 -1.067) 3.413 5.338 ( 1.563 4.210 0.816) 4.565 5.762 ( 9.124 -0.604 -0.735) 9.173 5.861 ( 1.597 6.756 -3.314) 7.693 7.996 ( 2.754 2.503 -1.295) 3.940 8.424 ( 1.237 -0.749 2.235) 2.662 8.624 ( 0.828 0.644 0.847) 1.348 8.824 ( 3.368 2.924 -2.478) 5.102 8.943 ( 4.521 5.494 -2.304) 7.479 9.214 ( -1.431 -0.739 0.231) 1.627 9.561 ( 8.213 -4.264 -5.574) 10.803 9.618 ( -5.735 10.851 4.004) 12.910 9.914 ( 1.046 0.184 5.979) 6.072 10.072 ( 4.326 -7.491 -1.631) 8.803 10.155 ( -1.266 4.713 0.060) 4.881 10.804 ( -0.228 3.483 -6.624) 7.488 11.043 ( 2.699 -3.041 1.042) 4.198 11.471 ( 2.001 2.616 2.569) 4.177 11.532 ( 1.794 2.736 -3.286) 4.638 11.651 ( 8.236 5.322 -2.660) 10.160 11.706 ( 5.739 6.282 1.584) 8.655 12.278 ( 8.442 9.978 -4.048) 13.683 12.570 ( 8.880 7.256 -0.697) 11.488 12.783 ( -1.647 -2.799 -2.137) 3.888 12.998 ( -2.259 0.010 3.791) 4.413 13.122 ( -5.290 -7.994 -4.931) 10.780 13.316 ( -1.195 -2.986 -2.012) 3.794 13.520 ( -0.654 -2.496 -1.671) 3.074 13.811 ( -3.500 -6.951 4.366) 8.924 13.970 ( -3.864 7.335 -1.648) 8.452 14.281 ( 7.868 0.144 0.582) 7.891 14.387 ( -4.655 1.295 2.729) 5.549 14.929 ( 6.227 0.450 -4.532) 7.715 15.434 ( -12.701 -4.413 7.615) 15.453 15.779 ( -9.919 -2.273 -3.803) 10.864 15.937 ( 5.292 -6.106 7.569) 11.071 16.895 ( -5.269 0.788 3.366) 6.302 16.992 ( -14.904 -12.148 -0.458) 19.233 17.425 ( 7.907 2.059 -13.025) 15.376 17.637 ( 11.916 12.170 2.881) 17.274 18.412 ( 1.952 -7.174 7.266) 10.396 18.640 ( -11.165 5.553 -0.304) 12.473 19.004 ( 3.624 -9.549 2.453) 10.504 19.560 ( 0.925 4.181 -2.309) 4.865 19.871 ( -1.744 -1.096 -1.076) 2.324 20.254 ( -1.742 0.161 0.739) 1.899 ======================= Grid point 169 (77/90) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 6.074 -3.697 0.162) 7.112 2.474 ( -1.443 3.046 1.445) 3.667 2.602 ( -0.827 2.343 0.174) 2.490 2.870 ( -3.581 7.135 -0.757) 8.018 3.156 ( 9.096 -0.917 -0.755) 9.174 3.245 ( 2.330 -8.333 -2.022) 8.886 3.504 ( 2.204 -6.971 -4.322) 8.493 3.543 ( 0.207 -12.115 -0.435) 12.125 3.817 ( -1.946 -0.281 -0.379) 2.002 4.060 ( 0.076 2.559 1.740) 3.095 4.221 ( -5.876 -0.357 -0.094) 5.887 4.460 ( 8.778 3.183 1.416) 9.444 4.612 ( -6.548 -1.545 3.190) 7.446 4.755 ( -2.308 1.494 5.823) 6.440 4.903 ( 5.800 2.906 6.763) 9.372 5.464 ( -1.121 -2.198 -0.635) 2.548 5.629 ( 5.696 3.395 -3.894) 7.690 5.792 ( -6.667 0.271 -5.357) 8.557 8.068 ( 1.415 -3.500 -6.521) 7.535 8.422 ( 0.486 4.754 2.552) 5.417 8.477 ( -5.811 2.608 -3.033) 7.055 8.668 ( -2.743 -2.960 -0.876) 4.129 8.867 ( -0.787 6.349 -5.547) 8.468 9.142 ( 0.196 0.956 3.926) 4.045 9.367 ( 1.866 -3.212 -0.157) 3.718 9.556 ( -3.277 2.904 2.509) 5.046 9.777 ( -3.784 12.877 -2.770) 13.704 10.019 ( 0.549 -3.678 2.980) 4.766 10.212 ( -0.396 1.686 -0.562) 1.820 10.865 ( -2.523 -2.456 3.825) 5.198 10.932 ( 1.106 5.635 1.357) 5.900 11.422 ( 2.288 -7.574 -2.917) 8.433 11.478 ( -4.640 -6.443 -7.043) 10.614 11.694 ( -4.839 1.865 -6.420) 8.253 11.789 ( 7.636 11.141 -3.893) 14.056 11.905 ( -7.304 5.170 -10.265) 13.618 12.246 ( -4.312 8.366 -0.258) 9.415 12.863 ( 5.501 -6.610 -1.495) 8.728 13.093 ( -1.817 -4.604 -3.956) 6.336 13.422 ( 3.784 -1.894 0.493) 4.261 13.538 ( -6.314 -3.767 -0.076) 7.353 13.739 ( -4.308 -4.631 -9.773) 11.641 13.783 ( -1.965 0.526 9.502) 9.718 13.822 ( 6.596 10.804 -9.027) 15.547 14.103 ( 1.918 -0.884 4.365) 4.849 14.630 ( 6.671 -2.601 0.542) 7.180 14.890 ( -7.283 4.824 -6.857) 11.106 15.109 ( 3.145 -10.992 23.006) 25.691 16.043 ( 5.840 7.744 9.047) 13.264 16.171 ( -2.809 1.484 2.987) 4.360 16.801 ( 6.890 -6.815 0.166) 9.693 17.056 ( -6.244 1.564 0.804) 6.487 17.463 ( -6.820 7.964 -9.371) 14.063 17.733 ( 15.138 -19.022 -4.015) 24.640 18.441 ( -0.533 -6.606 7.516) 10.021 18.708 ( -0.405 -9.223 0.718) 9.260 18.876 ( -4.748 10.867 2.566) 12.133 19.330 ( -1.786 14.436 -0.362) 14.551 20.076 ( 2.293 -4.035 0.185) 4.645 20.201 ( 0.218 0.062 1.435) 1.452 ======================= Grid point 170 (78/90) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.898 -1.357 -2.389) 2.891 2.445 ( -0.636 0.148 -4.216) 4.266 2.643 ( -2.157 3.853 5.853) 7.332 2.839 ( -2.598 5.138 -6.447) 8.644 3.135 ( -7.329 -2.757 1.223) 7.926 3.227 ( 4.947 -5.361 -0.822) 7.341 3.421 ( 2.606 -13.070 -2.164) 13.502 3.534 ( 9.488 -9.321 -0.721) 13.320 3.788 ( -1.664 2.477 1.432) 3.310 4.032 ( -7.360 0.473 1.248) 7.480 4.186 ( 0.752 0.614 -3.197) 3.341 4.507 ( -0.092 -3.811 2.740) 4.695 4.690 ( 6.075 6.350 5.338) 10.282 4.824 ( -4.217 3.256 4.981) 7.293 5.047 ( 3.803 0.160 1.147) 3.975 5.363 ( -2.723 -5.199 0.263) 5.875 5.634 ( -6.750 2.380 -4.240) 8.319 5.740 ( 6.311 3.313 -2.394) 7.519 7.986 ( -0.033 -2.016 -4.004) 4.483 8.399 ( -3.455 2.498 -0.453) 4.287 8.506 ( 1.446 5.237 1.181) 5.560 8.659 ( 1.656 -0.728 1.753) 2.519 8.837 ( -0.157 5.163 -4.431) 6.806 9.204 ( 0.358 -0.430 3.909) 3.949 9.412 ( 5.075 1.702 0.307) 5.362 9.567 ( -1.813 4.317 -0.182) 4.685 9.810 ( -3.773 15.109 -1.683) 15.664 10.021 ( 1.237 -4.938 1.820) 5.406 10.199 ( -0.681 0.108 -1.601) 1.743 10.871 ( 0.881 -4.889 3.820) 6.266 11.024 ( 0.590 2.769 2.134) 3.545 11.313 ( -2.661 -4.204 -1.127) 5.102 11.388 ( 3.435 -3.751 -1.007) 5.185 11.593 ( -2.305 5.805 -5.042) 8.027 11.727 ( -5.336 3.874 -10.106) 12.067 11.970 ( 8.438 12.783 -3.294) 15.667 12.272 ( -2.325 9.927 0.191) 10.197 12.867 ( 4.210 -5.350 -1.729) 7.024 12.991 ( -1.741 -1.883 -1.814) 3.141 13.410 ( -5.807 -6.355 3.100) 9.149 13.434 ( 1.620 -2.389 -2.046) 3.538 13.518 ( -3.017 -7.764 -8.408) 11.835 13.840 ( -1.586 5.937 -0.536) 6.169 13.949 ( 6.380 5.142 1.198) 8.281 14.162 ( -0.753 -0.001 3.336) 3.420 14.677 ( 0.883 -3.273 -4.508) 5.641 14.746 ( -3.158 2.485 -1.986) 4.482 15.338 ( 5.229 -11.921 20.326) 24.137 16.166 ( -6.385 2.999 4.485) 8.359 16.177 ( -2.518 -0.533 -2.254) 3.421 16.856 ( 6.739 -3.488 -1.343) 7.706 17.015 ( 2.628 1.451 0.600) 3.061 17.341 ( -5.113 10.675 -6.165) 13.346 17.700 ( 4.392 -18.899 -3.179) 19.662 18.398 ( -6.738 -10.035 8.705) 14.896 18.708 ( 4.269 -4.154 4.992) 7.772 18.953 ( -0.777 8.333 0.158) 8.370 19.412 ( 0.348 14.997 -4.781) 15.745 20.043 ( -0.137 -7.019 -0.496) 7.038 20.232 ( 0.331 1.074 1.920) 2.225 ======================= Grid point 172 (79/90) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -4.037 -1.934 -3.464) 5.660 2.405 ( -1.451 -0.313 -0.014) 1.485 2.711 ( 0.108 1.588 3.466) 3.814 2.736 ( -6.713 -2.924 -1.248) 7.428 3.038 ( -2.887 -1.340 -2.750) 4.206 3.220 ( 7.067 -8.213 -5.747) 12.265 3.369 ( -2.358 -0.518 3.254) 4.052 3.554 ( 3.847 -0.968 -1.827) 4.367 3.860 ( -0.110 0.966 4.660) 4.760 3.958 ( -0.205 -2.517 0.050) 2.526 4.149 ( -0.274 -3.085 0.394) 3.123 4.557 ( 4.819 0.979 -1.148) 5.050 4.748 ( -9.768 1.940 0.094) 9.959 4.860 ( -0.984 -3.134 4.769) 5.791 5.029 ( 1.067 -2.411 -2.854) 3.886 5.354 ( -0.249 -0.068 3.070) 3.080 5.566 ( 0.157 2.383 -1.534) 2.838 5.804 ( 3.162 4.607 -2.252) 6.024 7.952 ( 0.575 0.735 -1.325) 1.621 8.409 ( -0.553 2.808 2.431) 3.755 8.580 ( 1.975 4.607 0.643) 5.054 8.710 ( 2.727 0.397 0.655) 2.833 8.861 ( 2.863 6.367 -2.490) 7.412 9.228 ( 0.462 -2.017 1.213) 2.399 9.443 ( -1.497 0.622 -3.519) 3.874 9.647 ( 6.325 4.749 4.318) 9.011 9.874 ( -2.988 14.585 0.321) 14.891 10.002 ( 0.535 -5.920 -0.871) 6.008 10.187 ( 0.234 2.479 -0.417) 2.525 10.878 ( 0.154 -6.367 2.006) 6.677 10.979 ( -1.682 -4.370 -2.827) 5.470 11.359 ( 2.490 2.350 6.392) 7.251 11.453 ( 5.413 2.236 1.963) 6.177 11.581 ( -1.644 3.843 -8.865) 9.801 11.606 ( -0.163 8.385 -1.451) 8.511 12.114 ( 5.161 13.290 -6.017) 15.475 12.371 ( 3.278 9.284 2.714) 10.212 12.829 ( -0.506 -3.326 -2.536) 4.213 12.991 ( 1.554 0.923 1.336) 2.248 13.282 ( -5.829 -8.099 -1.683) 10.119 13.370 ( -2.997 -3.775 -1.343) 5.004 13.465 ( 5.333 -3.124 3.395) 7.052 13.825 ( -1.265 1.851 -3.357) 4.037 14.080 ( 5.032 3.488 1.225) 6.244 14.150 ( -4.984 0.695 1.223) 5.178 14.533 ( -4.447 -4.560 -3.311) 7.179 14.779 ( 2.959 1.281 0.065) 3.225 15.546 ( 5.750 -11.420 14.890) 19.626 15.950 ( -7.859 -3.819 -12.200) 15.006 16.138 ( -11.053 3.028 5.475) 12.702 16.848 ( 5.605 -9.856 -2.277) 11.565 17.171 ( 4.950 -1.605 1.217) 5.344 17.326 ( -2.355 10.012 -1.459) 10.388 17.522 ( -2.109 -3.594 -4.199) 5.916 18.372 ( -1.448 -8.241 7.979) 11.562 18.820 ( 7.811 -6.441 3.811) 10.818 18.961 ( -8.218 6.997 2.108) 10.997 19.464 ( 2.941 11.197 -7.530) 13.810 19.959 ( -2.400 -7.350 -0.283) 7.737 20.263 ( 0.459 0.453 0.880) 1.091 ======================= Grid point 173 (80/90) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -0.129 -4.478 -2.861) 5.316 2.408 ( -3.643 -1.258 7.373) 8.319 2.581 ( -13.841 -5.960 6.737) 16.507 2.756 ( 1.422 0.351 0.824) 1.681 2.941 ( 2.406 -6.581 -8.321) 10.878 3.184 ( 2.918 -1.493 -2.899) 4.376 3.399 ( 0.263 4.827 -0.396) 4.850 3.629 ( 4.788 9.268 -2.128) 10.647 3.824 ( -4.836 -1.099 0.798) 5.023 4.033 ( 6.996 -4.993 3.393) 9.241 4.162 ( -0.469 -1.341 5.027) 5.223 4.562 ( 3.717 -8.385 -8.224) 12.319 4.602 ( -9.170 4.037 -0.171) 10.021 4.771 ( -3.501 -6.435 -1.345) 7.448 4.983 ( -5.272 -5.489 1.799) 7.820 5.425 ( -1.917 8.954 2.913) 9.609 5.607 ( 8.470 -3.102 -1.046) 9.081 5.876 ( 2.184 7.982 -0.233) 8.278 7.976 ( 1.794 2.874 -0.161) 3.392 8.463 ( -0.517 2.297 3.657) 4.349 8.640 ( 0.085 2.448 0.258) 2.463 8.749 ( 3.553 1.964 -2.641) 4.843 8.930 ( 2.475 6.401 -1.262) 6.978 9.224 ( -0.420 -1.057 -0.045) 1.139 9.385 ( 3.278 -1.898 -4.100) 5.582 9.828 ( 0.690 8.356 5.124) 9.827 9.929 ( -0.253 -7.107 -0.537) 7.132 9.966 ( 1.252 5.565 1.065) 5.803 10.219 ( -0.587 4.627 0.606) 4.704 10.805 ( -4.080 -0.300 -1.599) 4.393 10.952 ( 4.845 -4.857 0.411) 6.873 11.464 ( 1.261 3.750 -3.876) 5.538 11.500 ( 1.671 4.060 -1.713) 4.712 11.585 ( 4.117 3.972 0.114) 5.722 11.753 ( 5.928 8.968 8.176) 13.505 12.203 ( 4.607 10.714 -6.681) 13.441 12.536 ( 4.986 8.112 1.137) 9.589 12.770 ( -1.622 -0.480 -0.346) 1.727 13.010 ( -0.642 -0.971 -4.923) 5.058 13.157 ( -5.120 -5.526 6.625) 10.032 13.316 ( -0.772 -2.661 2.722) 3.884 13.527 ( -2.922 -0.423 1.056) 3.136 13.795 ( 2.394 -4.530 0.747) 5.178 14.088 ( -4.813 5.197 -2.250) 7.432 14.165 ( 4.558 -0.685 -1.251) 4.776 14.445 ( -0.311 -4.271 1.418) 4.511 14.845 ( 3.463 2.104 1.673) 4.383 15.488 ( -7.314 -6.901 -9.380) 13.752 15.880 ( 6.765 -1.603 7.072) 9.917 16.034 ( -15.309 -1.649 6.329) 16.648 16.827 ( 7.341 -13.472 -0.487) 15.350 16.973 ( -6.811 -17.245 -7.830) 20.127 17.347 ( -3.900 14.564 -5.011) 15.889 17.665 ( 7.477 13.174 4.783) 15.885 18.392 ( 1.063 -7.378 5.123) 9.045 18.768 ( -3.599 0.171 -11.683) 12.226 19.017 ( -4.084 0.997 15.141) 15.714 19.493 ( 5.063 1.112 -5.495) 7.554 19.868 ( -2.314 -4.196 -0.821) 4.862 20.266 ( -0.220 -0.769 -0.609) 1.005 ======================= Grid point 179 (81/90) ======================= q-point: ( 0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 13.142 -4.746 0.730) 13.992 2.483 ( -2.077 2.484 -3.278) 4.608 2.673 ( 9.236 -0.086 5.064) 10.533 2.947 ( -0.610 8.890 -1.793) 9.089 3.030 ( -0.714 -2.556 -1.391) 2.996 3.086 ( 3.335 -8.609 -6.090) 11.060 3.457 ( -4.724 -8.151 -2.481) 9.743 3.481 ( -4.713 -1.727 2.063) 5.427 3.821 ( 3.697 -1.897 4.045) 5.799 4.081 ( 0.024 4.514 -4.182) 6.154 4.288 ( -1.536 0.657 -1.786) 2.445 4.369 ( 9.825 0.455 4.283) 10.728 4.672 ( 10.223 -8.925 7.731) 15.619 4.729 ( -8.896 -6.120 1.236) 10.868 5.035 ( -3.976 6.775 2.732) 8.317 5.424 ( 8.033 6.004 -0.422) 10.038 5.611 ( -6.920 -2.065 -3.330) 7.953 5.826 ( -4.985 3.014 -3.446) 6.768 7.986 ( -0.451 -0.330 -3.240) 3.288 8.481 ( 0.724 4.051 1.631) 4.426 8.565 ( -5.534 3.522 -0.444) 6.574 8.706 ( -6.455 -1.021 -1.014) 6.614 8.868 ( -1.003 4.876 -3.050) 5.838 9.191 ( -0.134 0.594 2.771) 2.837 9.339 ( -0.811 -4.020 1.570) 4.391 9.680 ( -4.121 2.764 4.870) 6.952 9.886 ( -1.106 14.124 -4.020) 14.726 10.026 ( -2.211 -2.482 0.331) 3.341 10.217 ( -1.240 1.393 -1.132) 2.181 10.905 ( -1.083 -6.634 2.302) 7.105 10.937 ( 2.267 3.310 -1.821) 4.406 11.327 ( -0.504 -2.797 0.797) 2.952 11.490 ( -8.231 -3.028 -2.372) 9.086 11.642 ( 1.586 1.856 -5.864) 6.352 11.780 ( 2.313 12.889 -5.615) 14.248 11.994 ( -12.910 6.109 -4.025) 14.838 12.399 ( -6.407 7.203 1.855) 9.817 12.788 ( 0.286 -2.089 1.225) 2.438 13.023 ( 0.280 -4.513 -3.169) 5.521 13.348 ( 3.940 -1.466 -1.951) 4.635 13.500 ( 2.329 -2.282 -7.931) 8.575 13.662 ( -5.545 -8.482 -0.434) 10.143 13.740 ( 4.595 9.598 -6.797) 12.627 13.960 ( -3.043 5.932 7.380) 9.945 14.092 ( 2.256 -4.731 3.154) 6.117 14.514 ( 7.490 -2.552 0.459) 7.927 14.920 ( -6.246 2.380 -7.856) 10.315 15.263 ( 1.708 -9.470 20.463) 22.612 16.076 ( 9.565 -0.155 -8.949) 13.100 16.106 ( 5.555 5.664 6.461) 10.231 16.732 ( 2.883 -6.040 6.734) 9.494 17.228 ( -13.262 2.807 1.250) 13.613 17.275 ( 14.337 -20.295 -6.915) 25.792 17.571 ( -5.442 12.428 -4.217) 14.208 18.506 ( 2.789 -2.556 10.935) 11.571 18.594 ( 3.663 -7.168 -3.096) 8.624 19.109 ( -8.871 5.461 7.155) 12.637 19.390 ( 0.148 8.362 -7.097) 10.969 19.966 ( 5.042 -5.952 -1.159) 7.886 20.233 ( -0.003 0.267 2.106) 2.123 ======================= Grid point 180 (82/90) ======================= q-point: ( 0.50 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 5.211 -2.203 -1.783) 5.932 2.452 ( -1.446 2.903 -2.266) 3.957 2.777 ( -2.387 -1.838 -9.363) 9.836 2.779 ( 0.285 0.599 2.016) 2.122 2.960 ( 3.119 -11.745 -4.233) 12.868 3.258 ( 10.113 4.043 5.710) 12.298 3.325 ( -2.420 -7.763 -0.093) 8.132 3.451 ( -4.709 0.882 5.137) 7.024 3.836 ( -1.774 -1.775 0.514) 2.562 4.123 ( 4.177 2.867 -0.754) 5.122 4.159 ( -8.258 -0.620 -3.343) 8.931 4.530 ( -2.695 -2.223 2.114) 4.083 4.653 ( 10.308 0.740 3.362) 10.867 4.878 ( 7.780 -6.118 5.056) 11.114 5.012 ( -3.985 0.788 -2.025) 4.539 5.365 ( -5.292 -3.699 -2.635) 6.973 5.654 ( 6.706 7.169 -1.680) 9.959 5.744 ( -6.826 3.067 0.145) 7.485 7.952 ( -0.499 0.691 -1.300) 1.554 8.457 ( -2.937 1.992 -1.997) 4.072 8.572 ( -1.865 5.231 1.545) 5.764 8.684 ( -0.297 1.459 3.101) 3.440 8.845 ( -2.328 4.257 -2.107) 5.290 9.228 ( 0.129 -1.362 1.933) 2.368 9.382 ( 4.965 2.386 3.030) 6.287 9.665 ( -8.390 4.573 -0.361) 9.562 9.943 ( -0.548 14.092 -4.450) 14.789 9.998 ( 1.764 -2.124 2.179) 3.518 10.175 ( -1.812 -1.732 -1.554) 2.949 10.824 ( -0.690 -9.784 0.486) 9.820 11.032 ( 4.177 1.467 0.805) 4.500 11.355 ( 0.096 1.460 5.086) 5.292 11.386 ( -4.204 0.237 2.805) 5.059 11.594 ( -0.634 5.139 -6.089) 7.993 11.731 ( -5.086 8.003 -10.128) 13.874 11.995 ( -0.095 12.193 2.597) 12.467 12.405 ( -4.281 9.029 0.674) 10.016 12.787 ( 1.445 -2.058 0.004) 2.514 12.981 ( -0.248 -2.343 1.498) 2.792 13.317 ( 2.556 -7.048 -4.731) 8.866 13.403 ( -0.595 -2.947 -5.512) 6.279 13.508 ( -5.225 -4.669 1.938) 7.271 13.858 ( 4.915 8.484 -2.640) 10.154 13.967 ( -4.740 -1.376 2.483) 5.526 14.180 ( 4.081 0.892 3.192) 5.257 14.562 ( 3.441 -4.085 -3.904) 6.616 14.801 ( -3.652 3.699 -1.757) 5.487 15.421 ( 1.424 -12.174 17.505) 21.370 16.111 ( 8.897 0.737 -11.350) 14.441 16.123 ( -2.019 -6.500 -4.507) 8.164 16.897 ( 7.061 3.835 11.477) 14.010 17.027 ( -13.227 -2.761 0.021) 13.512 17.302 ( 13.303 -8.483 -3.450) 16.151 17.539 ( -5.541 4.928 -3.308) 8.120 18.527 ( -2.223 -7.921 4.531) 9.393 18.634 ( 1.498 -3.807 4.734) 6.257 19.067 ( -3.510 4.835 -0.582) 6.003 19.435 ( 1.432 11.671 -4.977) 12.768 19.957 ( 2.624 -7.657 -0.258) 8.099 20.257 ( -0.095 0.307 1.315) 1.353 ======================= Grid point 181 (83/90) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -0.925 -8.559 -8.802) 12.312 2.456 ( 1.019 3.046 -0.049) 3.212 2.640 ( 3.890 -14.729 -8.304) 17.351 2.808 ( 2.563 2.197 3.177) 4.636 2.943 ( -1.927 -0.345 5.168) 5.526 3.195 ( -6.409 -0.302 -2.191) 6.780 3.469 ( -1.399 1.959 4.035) 4.699 3.485 ( 4.621 3.400 3.976) 6.980 3.823 ( 3.885 -5.099 -1.303) 6.541 4.006 ( -6.728 0.399 -0.605) 6.767 4.178 ( -0.394 -2.987 4.043) 5.042 4.473 ( 0.497 -2.412 -5.509) 6.034 4.789 ( -2.091 -10.000 -4.416) 11.129 4.920 ( 9.260 0.028 0.705) 9.287 4.921 ( -4.735 3.956 1.087) 6.265 5.329 ( 2.101 -1.439 0.436) 2.584 5.682 ( -7.183 6.448 1.455) 9.762 5.782 ( 4.365 5.220 0.821) 6.854 7.955 ( -0.047 2.213 0.444) 2.258 8.455 ( 1.306 1.973 0.412) 2.401 8.606 ( 0.500 4.448 0.022) 4.476 8.735 ( -1.659 2.573 3.130) 4.378 8.855 ( 0.718 6.345 -0.577) 6.411 9.218 ( -0.577 -1.817 0.253) 1.923 9.491 ( -6.588 0.955 -1.018) 6.734 9.607 ( 7.696 3.992 1.983) 8.894 9.947 ( -1.750 3.037 -5.092) 6.182 10.060 ( -2.769 7.418 2.165) 8.209 10.164 ( 4.274 0.712 0.333) 4.345 10.774 ( 2.740 -8.704 2.036) 9.349 11.030 ( -5.185 0.046 0.046) 5.186 11.436 ( 0.539 3.558 5.051) 6.202 11.450 ( 1.097 1.427 2.655) 3.208 11.560 ( -1.090 6.464 -3.168) 7.280 11.674 ( -0.319 9.696 -2.748) 10.083 12.118 ( 0.988 13.646 -1.367) 13.750 12.461 ( -0.175 10.105 1.543) 10.223 12.796 ( 0.747 -2.197 1.063) 2.552 12.997 ( 0.067 0.678 0.793) 1.045 13.220 ( 0.728 -10.052 -0.907) 10.119 13.350 ( 0.986 -3.238 -0.307) 3.399 13.497 ( 0.045 -0.953 7.060) 7.124 13.840 ( -6.533 1.437 -3.522) 7.560 13.981 ( 6.861 -2.657 -1.767) 7.566 14.250 ( -1.665 5.594 0.265) 5.843 14.460 ( -0.634 -6.610 -5.009) 8.318 14.830 ( -1.287 4.429 4.251) 6.272 15.528 ( 2.515 -13.413 8.905) 16.295 15.853 ( -4.273 -6.134 -10.633) 12.998 16.162 ( 8.478 0.936 -7.392) 11.287 16.833 ( -11.235 -6.529 3.259) 13.396 17.087 ( -0.251 -13.805 3.968) 14.366 17.406 ( 11.990 2.785 0.421) 12.317 17.478 ( -5.088 15.259 -2.304) 16.249 18.481 ( -7.140 -6.337 7.704) 12.267 18.640 ( 6.511 -4.764 -5.623) 9.834 19.131 ( 3.824 1.657 5.029) 6.531 19.440 ( -4.037 10.695 -6.619) 13.209 19.913 ( -0.008 -7.359 0.120) 7.360 20.261 ( -0.049 -0.776 -0.200) 0.803 ======================= Grid point 182 (84/90) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 3.982 -13.227 -8.091) 16.009 2.462 ( 4.256 -15.849 -5.793) 17.403 2.516 ( 4.684 -2.618 -0.445) 5.384 2.916 ( -4.618 1.060 7.531) 8.898 2.968 ( -9.322 5.028 11.337) 15.515 3.111 ( 1.705 3.587 -5.662) 6.916 3.470 ( -5.359 3.958 1.192) 6.768 3.619 ( 4.702 8.182 -1.866) 9.620 3.758 ( 2.032 -9.290 -3.664) 10.191 4.028 ( 2.713 -3.131 4.059) 5.800 4.135 ( 1.812 -12.671 -1.001) 12.839 4.374 ( 0.580 -1.935 -5.022) 5.413 4.642 ( -2.679 -0.186 -4.382) 5.140 4.788 ( -8.834 -0.143 -1.493) 8.960 5.110 ( -2.146 3.416 4.118) 5.764 5.367 ( 10.656 -2.798 -0.744) 11.043 5.663 ( -7.908 6.700 3.502) 10.940 5.906 ( 3.803 7.315 1.379) 8.359 7.991 ( 0.490 3.235 1.068) 3.441 8.495 ( 2.259 -0.650 0.012) 2.351 8.655 ( 0.304 3.363 -1.299) 3.618 8.774 ( -1.774 5.937 3.914) 7.329 8.925 ( 2.875 6.001 -0.467) 6.670 9.214 ( 0.806 0.541 0.032) 0.971 9.352 ( -5.700 -1.087 -3.050) 6.555 9.771 ( 3.288 -1.454 -2.468) 4.361 9.921 ( 5.676 1.504 3.792) 6.990 10.079 ( -3.581 6.664 -1.164) 7.655 10.254 ( 2.260 3.790 0.956) 4.515 10.792 ( 0.650 -7.169 4.112) 8.290 10.971 ( -3.694 6.806 1.179) 7.833 11.420 ( -0.526 5.175 -6.496) 8.322 11.535 ( 0.118 0.260 4.821) 4.829 11.606 ( -1.505 5.845 0.971) 6.113 11.808 ( 8.297 7.363 4.004) 11.793 12.218 ( -0.713 14.166 -0.716) 14.202 12.564 ( 1.356 8.547 -1.096) 8.723 12.807 ( -0.081 1.509 2.185) 2.657 12.953 ( -2.301 -4.058 -3.377) 5.759 13.226 ( 2.488 -4.994 7.316) 9.201 13.352 ( -0.462 -3.245 5.186) 6.135 13.634 ( -4.090 0.373 8.046) 9.034 13.710 ( 3.288 -1.391 -3.977) 5.344 13.988 ( 3.983 -7.777 -3.144) 9.286 14.199 ( -3.774 6.858 -8.482) 11.542 14.403 ( 0.778 -4.593 2.208) 5.156 14.912 ( -1.430 3.090 6.859) 7.658 15.371 ( -2.984 -6.216 -12.719) 14.467 15.843 ( 6.803 -4.626 7.195) 10.930 16.164 ( 2.031 0.272 -5.876) 6.223 16.696 ( -4.414 -8.715 2.219) 10.018 16.816 ( -8.721 -23.146 -4.132) 25.077 17.517 ( -5.055 15.820 -0.581) 16.619 17.699 ( 10.648 12.771 4.222) 17.156 18.423 ( -4.697 -7.106 4.972) 9.863 18.591 ( 4.066 -3.101 -10.584) 11.755 19.284 ( 7.382 -4.172 6.984) 10.985 19.351 ( -7.794 7.551 -4.183) 11.630 19.852 ( -1.585 -4.452 0.060) 4.726 20.239 ( 0.136 -2.330 -1.439) 2.742 ======================= Grid point 228 (85/90) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 0.000 -0.000 5.968) 5.968 2.408 ( 0.000 -0.000 5.968) 5.968 2.685 ( -0.000 0.000 -7.456) 7.456 2.685 ( -0.000 0.000 -7.456) 7.456 3.290 ( 0.000 -0.000 1.366) 1.366 3.516 ( 0.000 -0.000 0.825) 0.825 3.558 ( 0.000 0.000 -0.822) 0.822 3.558 ( -0.000 0.000 -0.822) 0.822 3.833 ( -0.000 0.000 -2.001) 2.001 4.130 ( 0.000 0.000 -1.931) 1.931 4.130 ( -0.000 0.000 -1.931) 1.931 4.513 ( 0.000 -0.000 2.378) 2.378 4.513 ( 0.000 -0.000 2.378) 2.378 4.638 ( 0.000 -0.000 10.749) 10.749 4.922 ( 0.000 -0.000 8.794) 8.794 5.620 ( -0.000 0.000 -6.752) 6.752 5.620 ( -0.000 0.000 -6.752) 6.752 5.661 ( 0.000 -0.000 1.015) 1.015 8.151 ( -0.000 0.000 -9.731) 9.731 8.375 ( -0.000 0.000 -0.843) 0.843 8.375 ( -0.000 0.000 -0.843) 0.843 8.729 ( -0.000 0.000 -2.339) 2.339 8.729 ( -0.000 0.000 -2.339) 2.339 9.126 ( 0.000 -0.000 3.990) 3.990 9.466 ( 0.000 0.000 -0.067) 0.067 9.466 ( 0.000 -0.000 -0.067) 0.067 9.552 ( -0.000 0.000 -4.101) 4.101 10.136 ( 0.000 -0.000 2.537) 2.537 10.136 ( 0.000 -0.000 2.537) 2.537 10.864 ( 0.000 -0.000 4.642) 4.642 10.864 ( 0.000 -0.000 4.642) 4.642 11.479 ( -0.000 0.000 -7.994) 7.994 11.638 ( -0.000 0.000 -8.717) 8.717 11.638 ( -0.000 0.000 -8.717) 8.717 11.735 ( -0.000 0.000 -3.683) 3.683 11.735 ( -0.000 0.000 -3.683) 3.683 12.064 ( -0.000 0.000 -4.390) 4.390 13.098 ( -0.000 0.000 -6.647) 6.647 13.098 ( -0.000 0.000 -6.647) 6.647 13.397 ( 0.000 -0.000 1.620) 1.620 13.630 ( 0.000 -0.000 -1.319) 1.319 13.630 ( 0.000 0.000 -1.319) 1.319 13.691 ( 0.000 -0.000 1.101) 1.101 13.894 ( -0.000 0.000 -3.642) 3.642 14.120 ( 0.000 -0.000 3.669) 3.669 14.731 ( -0.000 0.000 -2.111) 2.111 14.731 ( -0.000 0.000 -2.111) 2.111 15.327 ( 0.000 -0.000 27.665) 27.665 16.036 ( 0.000 -0.000 7.392) 7.392 16.036 ( 0.000 -0.000 7.392) 7.392 16.988 ( 0.000 -0.000 2.103) 2.103 16.988 ( 0.000 -0.000 2.103) 2.103 17.283 ( -0.000 0.000 -20.327) 20.327 18.179 ( -0.000 0.000 -0.964) 0.964 18.597 ( 0.000 -0.000 3.203) 3.203 18.597 ( 0.000 -0.000 3.203) 3.203 18.940 ( 0.000 -0.000 2.003) 2.003 18.940 ( 0.000 -0.000 2.003) 2.003 20.114 ( 0.000 -0.000 4.140) 4.140 20.229 ( -0.000 0.000 -1.733) 1.733 ======================= Grid point 229 (86/90) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -4.090 -3.145 -3.817) 6.418 2.435 ( 0.036 1.448 -1.478) 2.070 2.602 ( 2.471 0.278 2.913) 3.830 2.733 ( 6.769 3.521 -3.049) 8.217 3.198 ( -8.234 -9.560 2.601) 12.882 3.369 ( -9.436 -3.731 -1.385) 10.241 3.536 ( -2.290 3.226 -0.687) 4.015 3.680 ( -4.664 0.686 -1.433) 4.927 3.785 ( 6.758 2.768 -1.192) 7.399 4.011 ( -2.496 -6.572 -1.818) 7.261 4.183 ( 4.333 4.346 -3.563) 7.097 4.485 ( -4.066 -3.120 4.680) 6.940 4.661 ( 6.515 5.947 3.224) 9.392 4.780 ( 3.643 0.299 7.341) 8.201 4.997 ( -4.203 -0.409 5.485) 6.922 5.480 ( -4.785 -7.033 -1.793) 8.693 5.544 ( 1.226 1.986 -4.013) 4.643 5.731 ( 3.400 3.550 -2.415) 5.477 8.028 ( -1.950 -1.147 -5.998) 6.410 8.369 ( 2.563 -1.351 0.291) 2.912 8.419 ( 3.629 4.121 -1.455) 5.681 8.706 ( -0.857 3.151 -0.276) 3.277 8.744 ( 3.422 -1.266 -1.507) 3.947 9.190 ( 0.252 0.659 5.125) 5.174 9.430 ( -3.606 3.656 -0.488) 5.158 9.497 ( 6.228 -1.105 -1.787) 6.573 9.581 ( 6.973 2.906 -3.064) 8.153 10.118 ( -3.536 0.347 2.547) 4.371 10.176 ( 0.848 -1.881 -0.225) 2.076 10.918 ( 0.052 -1.921 5.382) 5.715 10.962 ( 0.608 3.125 6.307) 7.065 11.425 ( 1.911 0.831 -5.964) 6.318 11.466 ( -3.191 1.020 -7.788) 8.478 11.556 ( 3.731 -4.706 -3.985) 7.208 11.647 ( -1.492 -3.223 -5.593) 6.626 11.785 ( 2.654 9.156 -4.309) 10.462 12.111 ( 8.762 3.348 -0.871) 9.420 12.940 ( -6.954 -0.546 -2.822) 7.525 13.049 ( 2.276 -1.453 -6.224) 6.785 13.423 ( -0.670 -0.447 -0.652) 1.036 13.573 ( 1.146 -2.948 1.157) 3.368 13.593 ( -1.090 -4.662 -7.487) 8.887 13.700 ( 1.948 7.021 -4.280) 8.450 13.906 ( -1.580 0.397 5.553) 5.787 14.154 ( -0.462 -0.541 2.985) 3.069 14.660 ( -4.046 -2.524 -0.804) 4.836 14.765 ( 4.757 2.077 -3.212) 6.104 15.579 ( -8.701 -1.138 25.462) 26.932 16.047 ( -0.720 -6.343 7.210) 9.630 16.179 ( 0.297 0.245 0.418) 0.568 16.900 ( -6.716 3.641 -3.692) 8.485 17.021 ( 4.266 -0.095 -1.000) 4.383 17.186 ( 11.283 3.847 -11.607) 16.638 17.980 ( -19.227 -8.659 -0.635) 21.096 18.560 ( -1.571 -6.640 6.847) 9.667 18.776 ( 3.518 -2.284 5.744) 7.112 18.881 ( -0.701 10.742 -0.435) 10.774 19.106 ( 10.588 2.936 -3.077) 11.411 20.128 ( -2.854 -1.739 0.413) 3.368 20.217 ( 0.240 0.296 1.278) 1.334 ======================= Grid point 230 (87/90) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -7.579 -3.824 1.072) 8.557 2.429 ( 1.620 0.821 -1.958) 2.670 2.694 ( 3.098 -0.454 1.013) 3.291 2.809 ( 3.640 -0.739 -0.981) 3.842 3.043 ( -5.669 -9.169 2.210) 11.004 3.206 ( -8.727 3.129 -1.033) 9.328 3.507 ( -1.998 2.447 -2.355) 3.941 3.540 ( -5.452 -1.476 -2.845) 6.324 3.910 ( -0.244 -8.488 -1.932) 8.708 3.932 ( 3.089 5.687 2.974) 7.122 4.223 ( 3.692 1.153 -4.148) 5.672 4.466 ( -4.977 -0.743 5.313) 7.318 4.821 ( 4.741 5.093 1.530) 7.124 4.891 ( 5.917 -3.381 0.903) 6.874 4.924 ( -12.173 -0.257 4.500) 12.981 5.371 ( -1.874 -6.762 1.077) 7.099 5.586 ( 4.751 5.216 -1.865) 7.298 5.751 ( 2.060 1.902 -3.115) 4.191 7.955 ( -0.304 -0.174 -2.360) 2.386 8.416 ( 4.101 -1.352 0.494) 4.346 8.505 ( 5.396 4.701 -0.604) 7.181 8.723 ( -0.085 4.248 -1.269) 4.435 8.779 ( 4.287 -0.335 -0.345) 4.314 9.236 ( -1.702 0.019 2.753) 3.237 9.440 ( -2.330 7.520 1.745) 8.064 9.560 ( 9.897 -4.389 -4.035) 11.554 9.725 ( 9.816 6.212 2.213) 11.825 10.088 ( -4.344 2.034 -0.548) 4.827 10.160 ( 1.886 -3.498 -0.410) 3.995 10.912 ( -4.102 -5.637 1.835) 7.209 11.039 ( -2.827 3.669 2.406) 5.219 11.364 ( 0.761 1.273 0.580) 1.593 11.472 ( 3.623 5.045 -4.052) 7.416 11.539 ( 0.822 -0.626 -7.621) 7.690 11.557 ( 5.884 -4.440 -0.780) 7.412 11.893 ( 8.190 9.948 -1.119) 12.934 12.288 ( 10.606 4.699 0.483) 11.611 12.852 ( -4.092 0.483 -0.254) 4.128 13.000 ( 1.348 -0.876 -3.454) 3.810 13.357 ( -5.092 -3.024 -0.565) 5.949 13.439 ( -2.434 -5.095 -5.078) 7.594 13.575 ( 1.209 -3.774 -2.326) 4.595 13.757 ( 2.032 9.488 -1.276) 9.786 13.959 ( 1.121 -2.383 4.595) 5.296 14.178 ( -0.503 1.303 2.426) 2.799 14.559 ( -5.964 -4.854 0.824) 7.734 14.803 ( 4.463 2.766 -4.395) 6.847 15.705 ( -13.181 0.783 19.650) 23.675 15.975 ( -8.550 -7.944 -11.726) 16.544 16.087 ( 2.675 -8.597 7.051) 11.436 16.885 ( -4.957 6.613 1.728) 8.443 17.152 ( 14.273 6.423 -2.707) 15.884 17.256 ( 9.312 3.699 -7.812) 12.705 17.595 ( -22.058 -11.732 2.136) 25.075 18.584 ( 0.168 -7.266 5.932) 9.382 18.697 ( -9.498 1.474 -1.387) 9.711 19.102 ( 11.204 -3.718 5.479) 13.014 19.205 ( 6.311 12.701 -5.640) 15.263 20.036 ( -6.080 -3.495 -0.392) 7.024 20.250 ( 0.636 0.580 1.325) 1.580 ======================= Grid point 237 (88/90) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -0.443 -1.806 -2.928) 3.468 2.398 ( 0.930 -0.069 -2.868) 3.016 2.640 ( -2.342 3.361 3.228) 5.216 2.697 ( 1.404 5.767 -2.125) 6.305 3.256 ( -3.834 -6.757 2.599) 8.192 3.339 ( 1.995 -11.148 -1.542) 11.429 3.556 ( 3.261 -5.545 -1.408) 6.585 3.651 ( 2.663 -7.140 -0.714) 7.654 3.731 ( -2.343 6.920 1.010) 7.376 4.041 ( -5.648 0.349 0.719) 5.704 4.104 ( 4.041 3.067 -4.263) 6.626 4.587 ( -2.712 -2.391 1.232) 3.819 4.640 ( 3.629 6.081 3.854) 8.062 4.845 ( -1.034 1.189 4.001) 4.300 5.074 ( 1.094 -0.494 2.311) 2.604 5.444 ( -0.749 -4.509 -0.892) 4.657 5.525 ( -1.076 3.106 -3.792) 5.019 5.704 ( 1.040 0.640 0.193) 1.236 7.972 ( -0.013 -1.570 -3.071) 3.449 8.366 ( -1.607 1.562 0.315) 2.263 8.409 ( 1.193 5.330 -0.929) 5.540 8.693 ( 1.257 -1.133 1.194) 2.071 8.744 ( -1.003 2.912 -1.142) 3.285 9.264 ( 0.270 0.357 5.754) 5.771 9.386 ( 1.859 -0.319 -2.780) 3.359 9.487 ( -0.935 3.295 -1.494) 3.737 9.562 ( -1.062 11.075 -2.394) 11.381 10.127 ( 1.215 -4.628 1.859) 5.133 10.186 ( -1.183 -0.074 -0.686) 1.370 10.988 ( -0.884 -2.299 5.872) 6.368 11.039 ( 1.592 1.386 4.396) 4.877 11.340 ( -1.308 -1.303 -2.830) 3.379 11.399 ( 2.870 -0.126 -3.304) 4.379 11.461 ( -2.233 3.714 -7.186) 8.391 11.624 ( -4.150 -4.832 -2.335) 6.784 11.764 ( 5.211 7.383 -1.721) 9.199 12.104 ( -1.077 10.422 -0.187) 10.479 12.918 ( 3.280 -4.085 -2.255) 5.704 12.971 ( -2.913 0.556 -3.111) 4.298 13.425 ( 0.724 0.394 -1.326) 1.562 13.512 ( -1.665 -4.831 -2.559) 5.715 13.559 ( -2.620 -4.406 -0.019) 5.126 13.679 ( 2.902 6.872 -2.728) 7.943 13.966 ( 0.597 0.042 3.377) 3.430 14.185 ( -0.266 0.451 1.346) 1.444 14.682 ( -1.492 -2.401 -2.106) 3.525 14.704 ( 1.068 1.539 -0.043) 1.874 15.820 ( 3.432 -15.048 20.414) 25.592 16.169 ( -2.519 0.026 0.446) 2.558 16.179 ( -3.323 -0.724 -0.066) 3.401 16.797 ( 5.250 4.539 -8.605) 11.055 16.997 ( -1.139 0.310 -0.433) 1.257 17.093 ( -1.460 9.907 -3.863) 10.733 17.995 ( 1.177 -18.745 -0.719) 18.796 18.643 ( -7.708 -7.548 7.215) 12.979 18.791 ( 8.578 -1.338 0.636) 8.705 18.872 ( -0.940 5.024 4.357) 6.716 19.094 ( -1.057 14.840 -6.405) 16.197 20.126 ( -0.019 -3.882 -0.355) 3.898 20.235 ( 0.073 0.925 1.256) 1.561 ======================= Grid point 239 (89/90) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -1.721 -3.166 -0.857) 3.704 2.400 ( 0.840 1.305 0.574) 1.655 2.694 ( 1.056 2.564 3.347) 4.346 2.760 ( 2.834 4.488 -1.621) 5.550 3.119 ( -9.540 -10.557 4.216) 14.840 3.264 ( 1.574 -3.863 -3.485) 5.436 3.467 ( -2.709 -8.030 -1.986) 8.704 3.543 ( -4.321 -4.203 -2.356) 6.472 3.845 ( 0.318 5.359 0.635) 5.405 4.021 ( 2.576 -1.678 4.194) 5.200 4.143 ( 1.080 3.794 -1.456) 4.205 4.559 ( 0.260 -2.208 -0.007) 2.223 4.713 ( -1.605 1.395 -2.109) 2.995 4.916 ( 3.682 4.637 2.562) 6.451 5.028 ( -2.950 -5.619 -2.907) 6.980 5.410 ( -4.352 -1.225 2.351) 5.096 5.526 ( 4.579 1.401 0.424) 4.807 5.723 ( 0.650 2.244 -1.248) 2.649 7.941 ( -0.312 -0.543 0.010) 0.626 8.399 ( 1.000 2.336 2.110) 3.302 8.476 ( 3.820 6.380 -1.123) 7.520 8.701 ( 0.468 -0.200 -1.673) 1.749 8.773 ( 1.608 3.666 0.940) 4.112 9.274 ( -1.077 -2.518 -0.363) 2.763 9.392 ( 1.446 0.527 -2.881) 3.266 9.556 ( 1.971 9.370 2.091) 9.801 9.676 ( 7.769 9.928 1.131) 12.658 10.086 ( -1.890 -5.081 -1.695) 5.680 10.170 ( -0.889 0.331 1.567) 1.832 10.978 ( -6.476 -3.947 1.637) 7.759 11.041 ( 2.437 -4.154 -2.680) 5.512 11.371 ( 1.284 2.835 2.422) 3.943 11.405 ( 1.385 2.903 -6.391) 7.155 11.454 ( 2.077 3.375 3.480) 5.274 11.565 ( -0.211 -0.700 4.451) 4.510 11.851 ( 5.355 9.771 -4.272) 11.933 12.238 ( 5.797 9.961 1.187) 11.586 12.857 ( -2.136 -3.664 -2.393) 4.870 12.974 ( 0.940 1.815 1.576) 2.581 13.384 ( -1.307 -4.471 -1.209) 4.812 13.425 ( -4.822 -3.930 2.807) 6.825 13.553 ( -0.228 -1.820 2.675) 3.243 13.727 ( 4.536 4.896 -3.022) 7.327 13.998 ( -0.710 2.736 -0.645) 2.900 14.188 ( 0.309 -1.421 0.171) 1.464 14.610 ( -2.995 -4.777 1.161) 5.756 14.742 ( 1.855 2.596 -0.345) 3.209 15.860 ( -11.473 -10.885 -14.152) 21.222 15.975 ( 3.596 -11.705 13.192) 17.999 16.160 ( -6.058 1.429 3.882) 7.336 16.887 ( 9.599 1.992 -6.517) 11.772 17.029 ( -3.392 10.506 0.577) 11.055 17.182 ( 7.147 7.559 2.423) 10.681 17.727 ( -11.717 -19.666 -1.112) 22.919 18.599 ( -2.108 -8.395 6.440) 10.789 18.789 ( -2.663 1.466 -8.336) 8.873 18.987 ( 1.386 3.094 4.701) 5.796 19.195 ( 8.469 12.330 -1.607) 15.045 20.063 ( -3.153 -5.465 -0.004) 6.309 20.255 ( 0.541 0.950 -0.130) 1.101 ======================= Grid point 316 (90/90) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.000 0.000 0.000) 0.000 2.381 ( -0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.630 ( -0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.587 ( -0.000 0.000 -0.000) 0.000 3.587 ( -0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.039 ( -0.000 0.000 0.000) 0.000 4.611 ( -0.000 0.000 0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 5.096 ( -0.000 0.000 0.000) 0.000 5.474 ( -0.000 0.000 -0.000) 0.000 5.474 ( -0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 7.965 ( -0.000 0.000 0.000) 0.000 8.355 ( -0.000 0.000 0.000) 0.000 8.355 ( -0.000 0.000 0.000) 0.000 8.713 ( -0.000 0.000 0.000) 0.000 8.713 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 -0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 9.449 ( -0.000 0.000 0.000) 0.000 9.449 ( -0.000 0.000 0.000) 0.000 10.182 ( -0.000 0.000 -0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 11.059 ( -0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 11.333 ( -0.000 -0.000 -0.000) 0.000 11.356 ( -0.000 0.000 0.000) 0.000 11.356 ( 0.000 0.000 -0.000) 0.000 11.702 ( -0.000 0.000 0.000) 0.000 11.702 ( 0.000 0.000 -0.000) 0.000 11.988 ( 0.000 0.000 0.000) 0.000 12.938 ( -0.000 0.000 0.000) 0.000 12.938 ( 0.000 0.000 0.000) 0.000 13.416 ( -0.000 0.000 0.000) 0.000 13.529 ( -0.000 0.000 0.000) 0.000 13.603 ( -0.000 0.000 0.000) 0.000 13.603 ( 0.000 0.000 0.000) 0.000 13.989 ( 0.000 0.000 0.000) 0.000 14.188 ( 0.000 0.000 0.000) 0.000 14.692 ( -0.000 0.000 -0.000) 0.000 14.692 ( -0.000 0.000 0.000) 0.000 16.151 ( -0.000 0.000 0.000) 0.000 16.186 ( 0.000 0.000 0.000) 0.000 16.186 ( 0.000 0.000 0.000) 0.000 16.602 ( -0.000 0.000 0.000) 0.000 16.993 ( -0.000 0.000 0.000) 0.000 16.993 ( 0.000 0.000 0.000) 0.000 18.178 ( -0.000 0.000 0.000) 0.000 18.795 ( 0.000 -0.000 0.000) 0.000 18.795 ( 0.000 0.000 0.000) 0.000 18.864 ( -0.000 0.000 -0.000) 0.000 18.864 ( 0.000 0.000 -0.000) 0.000 20.156 ( 0.000 0.000 0.000) 0.000 20.234 ( -0.000 0.000 0.000) 0.000 =================== 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 3/30720 10.0 18161.419 18161.419 18304.094 -0.000 -0.000 -0.000 3/30720 20.0 2734.790 2734.790 2366.718 -0.000 -0.000 -0.000 3/30720 30.0 907.526 907.526 752.818 -0.000 -0.000 -0.000 3/30720 40.0 476.911 476.911 386.982 -0.000 -0.000 -0.000 3/30720 50.0 305.538 305.538 244.835 -0.000 -0.000 -0.000 3/30720 60.0 213.826 213.826 170.555 -0.000 -0.000 -0.000 3/30720 70.0 156.782 156.782 125.118 -0.000 -0.000 -0.000 3/30720 80.0 118.650 118.650 94.980 -0.000 -0.000 -0.000 3/30720 90.0 92.178 92.178 74.085 -0.000 -0.000 -0.000 3/30720 100.0 73.337 73.337 59.177 -0.000 -0.000 -0.000 3/30720 110.0 59.644 59.644 48.297 -0.000 -0.000 -0.000 3/30720 120.0 49.495 49.495 40.196 -0.000 -0.000 -0.000 3/30720 130.0 41.826 41.826 34.047 -0.000 -0.000 -0.000 3/30720 140.0 35.922 35.922 29.296 -0.000 -0.000 -0.000 3/30720 150.0 31.297 31.297 25.561 -0.000 -0.000 -0.000 3/30720 160.0 27.613 27.613 22.578 -0.000 -0.000 -0.000 3/30720 170.0 24.633 24.633 20.160 -0.000 -0.000 -0.000 3/30720 180.0 22.189 22.189 18.172 -0.000 -0.000 -0.000 3/30720 190.0 20.158 20.158 16.518 -0.000 -0.000 -0.000 3/30720 200.0 18.450 18.450 15.125 -0.000 -0.000 -0.000 3/30720 210.0 16.998 16.998 13.940 -0.000 -0.000 -0.000 3/30720 220.0 15.752 15.752 12.923 -0.000 -0.000 -0.000 3/30720 230.0 14.674 14.674 12.041 -0.000 -0.000 -0.000 3/30720 240.0 13.732 13.732 11.270 -0.000 -0.000 -0.000 3/30720 250.0 12.903 12.903 10.592 -0.000 -0.000 -0.000 3/30720 260.0 12.169 12.169 9.991 -0.000 -0.000 -0.000 3/30720 270.0 11.515 11.515 9.456 -0.000 -0.000 -0.000 3/30720 280.0 10.929 10.929 8.976 -0.000 -0.000 -0.000 3/30720 290.0 10.401 10.401 8.543 -0.000 -0.000 -0.000 3/30720 300.0 9.922 9.922 8.151 -0.000 -0.000 -0.000 3/30720 310.0 9.487 9.487 7.794 -0.000 -0.000 -0.000 3/30720 320.0 9.090 9.090 7.468 -0.000 -0.000 -0.000 3/30720 330.0 8.726 8.726 7.170 -0.000 -0.000 -0.000 3/30720 340.0 8.391 8.391 6.895 -0.000 -0.000 -0.000 3/30720 350.0 8.081 8.081 6.641 -0.000 -0.000 -0.000 3/30720 360.0 7.794 7.794 6.406 -0.000 -0.000 -0.000 3/30720 370.0 7.528 7.528 6.187 -0.000 -0.000 -0.000 3/30720 380.0 7.280 7.280 5.984 -0.000 -0.000 -0.000 3/30720 390.0 7.049 7.049 5.794 -0.000 -0.000 -0.000 3/30720 400.0 6.832 6.832 5.616 -0.000 -0.000 -0.000 3/30720 410.0 6.629 6.629 5.450 -0.000 -0.000 -0.000 3/30720 420.0 6.438 6.438 5.293 -0.000 -0.000 -0.000 3/30720 430.0 6.259 6.259 5.145 -0.000 -0.000 -0.000 3/30720 440.0 6.089 6.089 5.006 -0.000 -0.000 -0.000 3/30720 450.0 5.929 5.929 4.875 -0.000 -0.000 -0.000 3/30720 460.0 5.777 5.777 4.750 -0.000 -0.000 -0.000 3/30720 470.0 5.634 5.634 4.632 -0.000 -0.000 -0.000 3/30720 480.0 5.497 5.497 4.520 -0.000 -0.000 -0.000 3/30720 490.0 5.367 5.367 4.413 -0.000 -0.000 -0.000 3/30720 500.0 5.244 5.244 4.312 -0.000 -0.000 -0.000 3/30720 510.0 5.126 5.126 4.215 -0.000 -0.000 -0.000 3/30720 520.0 5.014 5.014 4.123 -0.000 -0.000 -0.000 3/30720 530.0 4.906 4.906 4.035 -0.000 -0.000 -0.000 3/30720 540.0 4.804 4.804 3.950 -0.000 -0.000 -0.000 3/30720 550.0 4.705 4.705 3.869 -0.000 -0.000 -0.000 3/30720 560.0 4.611 4.611 3.792 -0.000 -0.000 -0.000 3/30720 570.0 4.521 4.521 3.718 -0.000 -0.000 -0.000 3/30720 580.0 4.434 4.434 3.646 -0.000 -0.000 -0.000 3/30720 590.0 4.350 4.350 3.578 -0.000 -0.000 -0.000 3/30720 600.0 4.270 4.270 3.512 -0.000 -0.000 -0.000 3/30720 610.0 4.193 4.193 3.449 -0.000 -0.000 -0.000 3/30720 620.0 4.119 4.119 3.387 -0.000 -0.000 -0.000 3/30720 630.0 4.047 4.047 3.329 -0.000 -0.000 -0.000 3/30720 640.0 3.978 3.978 3.272 -0.000 -0.000 -0.000 3/30720 650.0 3.911 3.911 3.217 -0.000 -0.000 -0.000 3/30720 660.0 3.846 3.846 3.164 -0.000 -0.000 -0.000 3/30720 670.0 3.784 3.784 3.113 -0.000 -0.000 -0.000 3/30720 680.0 3.724 3.724 3.063 -0.000 -0.000 -0.000 3/30720 690.0 3.666 3.666 3.015 -0.000 -0.000 -0.000 3/30720 700.0 3.609 3.609 2.969 -0.000 -0.000 -0.000 3/30720 710.0 3.554 3.554 2.924 -0.000 -0.000 -0.000 3/30720 720.0 3.501 3.501 2.880 -0.000 -0.000 -0.000 3/30720 730.0 3.450 3.450 2.838 -0.000 -0.000 -0.000 3/30720 740.0 3.400 3.400 2.797 -0.000 -0.000 -0.000 3/30720 750.0 3.351 3.351 2.757 -0.000 -0.000 -0.000 3/30720 760.0 3.304 3.304 2.718 -0.000 -0.000 -0.000 3/30720 770.0 3.259 3.259 2.681 -0.000 -0.000 -0.000 3/30720 780.0 3.214 3.214 2.644 -0.000 -0.000 -0.000 3/30720 790.0 3.171 3.171 2.609 -0.000 -0.000 -0.000 3/30720 800.0 3.129 3.129 2.574 -0.000 -0.000 -0.000 3/30720 810.0 3.088 3.088 2.540 -0.000 -0.000 -0.000 3/30720 820.0 3.048 3.048 2.508 -0.000 -0.000 -0.000 3/30720 830.0 3.009 3.009 2.476 -0.000 -0.000 -0.000 3/30720 840.0 2.972 2.972 2.445 -0.000 -0.000 -0.000 3/30720 850.0 2.935 2.935 2.414 -0.000 -0.000 -0.000 3/30720 860.0 2.899 2.899 2.385 -0.000 -0.000 -0.000 3/30720 870.0 2.864 2.864 2.356 -0.000 -0.000 -0.000 3/30720 880.0 2.830 2.830 2.328 -0.000 -0.000 -0.000 3/30720 890.0 2.796 2.796 2.300 -0.000 -0.000 -0.000 3/30720 900.0 2.764 2.764 2.274 -0.000 -0.000 -0.000 3/30720 910.0 2.732 2.732 2.247 -0.000 -0.000 -0.000 3/30720 920.0 2.701 2.701 2.222 -0.000 -0.000 -0.000 3/30720 930.0 2.670 2.670 2.197 -0.000 -0.000 -0.000 3/30720 940.0 2.641 2.641 2.173 -0.000 -0.000 -0.000 3/30720 950.0 2.612 2.612 2.149 -0.000 -0.000 -0.000 3/30720 960.0 2.583 2.583 2.125 -0.000 -0.000 -0.000 3/30720 970.0 2.556 2.556 2.103 -0.000 -0.000 -0.000 3/30720 980.0 2.529 2.529 2.080 -0.000 -0.000 -0.000 3/30720 990.0 2.502 2.502 2.058 -0.000 -0.000 -0.000 3/30720 1000.0 2.476 2.476 2.037 -0.000 -0.000 -0.000 3/30720 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:03:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|