----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:22:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 4.310907383991705 2.488903538599151 3.455756206666663 b -4.310907383991696 2.488903538599151 3.455756206666663 c 0.000000000000004 -4.977807077198309 3.455756206666663 Atomic positions (fractional): *1 O 0.54435162548231 0.19737962969396 0.40939672704506 15.999 2 O 0.19737962969396 0.40939672704506 0.54435162548231 15.999 3 O 0.40939672704506 0.54435162548231 0.19737962969396 15.999 4 O 0.45564837451769 0.80262037030604 0.59060327295494 15.999 5 O 0.80262037030604 0.59060327295494 0.45564837451769 15.999 6 O 0.59060327295494 0.45564837451769 0.80262037030604 15.999 *7 O 0.07481798264772 0.69798679917383 0.92969308156875 15.999 8 O 0.69798679917383 0.92969308156875 0.07481798264772 15.999 9 O 0.07030691843125 0.92518201735228 0.30201320082617 15.999 10 O 0.30201320082617 0.07030691843125 0.92518201735228 15.999 11 O 0.92518201735228 0.30201320082618 0.07030691843125 15.999 12 O 0.92969308156875 0.07481798264772 0.69798679917383 15.999 *13 Mg 0.75161777131178 0.93559080449834 0.44582422039257 24.305 14 Mg 0.44582422039257 0.75161777131178 0.93559080449833 24.305 15 Mg 0.06440919550167 0.55417577960743 0.24838222868822 24.305 16 Mg 0.55417577960743 0.24838222868822 0.06440919550167 24.305 17 Mg 0.24838222868822 0.06440919550167 0.55417577960743 24.305 18 Mg 0.93559080449833 0.44582422039257 0.75161777131178 24.305 *19 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 *20 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.621814767983402 0.000000000000000 0.000000000000000 b -4.310907383991701 7.466710615797461 0.000000000000000 c 0.000000000000000 0.000000000000000 10.367268620000001 Atomic positions (fractional): *1 O 0.16064229807520 0.97431260036205 0.38370932740711 15.999 > 1 2 O 0.81367030228685 0.83935770192480 0.38370932740711 15.999 > 2 3 O 0.02568739963795 0.18632969771315 0.38370932740711 15.999 > 3 4 O 0.83935770192480 0.02568739963795 0.61629067259289 15.999 > 4 5 O 0.18632969771315 0.16064229807520 0.61629067259289 15.999 > 5 6 O 0.97431260036205 0.81367030228685 0.61629067259289 15.999 > 6 *7 O 0.50731869485096 0.63780620622802 0.56749928779676 15.999 > 7 8 O 0.13048751137706 0.49268130514904 0.56749928779676 15.999 > 8 9 O 0.63780620622802 0.13048751137706 0.43250071220323 15.999 > 9 10 O 0.86951248862294 0.50731869485096 0.43250071220323 15.999 > 10 11 O 0.49268130514904 0.36219379377198 0.43250071220323 15.999 > 11 12 O 0.36219379377198 0.86951248862294 0.56749928779676 15.999 > 12 13 O 0.82730896474187 0.30764593369538 0.71704266074044 15.999 > 1 14 O 0.48033696895352 0.17269103525813 0.71704266074044 15.999 > 2 15 O 0.69235406630462 0.51966303104649 0.71704266074044 15.999 > 3 16 O 0.50602436859147 0.35902073297128 0.94962400592622 15.999 > 4 17 O 0.85299636437982 0.49397563140854 0.94962400592622 15.999 > 5 18 O 0.64097926702872 0.14700363562018 0.94962400592622 15.999 > 6 19 O 0.17398536151762 0.97113953956135 0.90083262113010 15.999 > 7 20 O 0.79715417804373 0.82601463848238 0.90083262113010 15.999 > 8 21 O 0.30447287289468 0.46382084471039 0.76583404553657 15.999 > 9 22 O 0.53617915528961 0.84065202818429 0.76583404553657 15.999 > 10 23 O 0.15934797181571 0.69552712710532 0.76583404553657 15.999 > 11 24 O 0.02886046043865 0.20284582195627 0.90083262113010 15.999 > 12 25 O 0.49397563140854 0.64097926702872 0.05037599407378 15.999 > 1 26 O 0.14700363562018 0.50602436859147 0.05037599407378 15.999 > 2 27 O 0.35902073297128 0.85299636437982 0.05037599407378 15.999 > 3 28 O 0.17269103525813 0.69235406630462 0.28295733925956 15.999 > 4 29 O 0.51966303104649 0.82730896474187 0.28295733925956 15.999 > 5 30 O 0.30764593369538 0.48033696895352 0.28295733925956 15.999 > 6 31 O 0.84065202818429 0.30447287289468 0.23416595446343 15.999 > 7 32 O 0.46382084471039 0.15934797181571 0.23416595446343 15.999 > 8 33 O 0.97113953956135 0.79715417804373 0.09916737886990 15.999 > 9 34 O 0.20284582195627 0.17398536151762 0.09916737886990 15.999 > 10 35 O 0.82601463848238 0.02886046043865 0.09916737886990 15.999 > 11 36 O 0.69552712710532 0.53617915528961 0.23416595446343 15.999 > 12 *37 Mg 0.04060683924422 0.26518671167499 0.71101093206756 24.305 > 13 38 Mg 0.73481328832501 0.77542012756923 0.71101093206756 24.305 > 14 39 Mg 0.77542012756923 0.04060683924422 0.28898906793244 24.305 > 15 40 Mg 0.26518671167499 0.22457987243077 0.28898906793244 24.305 > 16 41 Mg 0.95939316075578 0.73481328832501 0.28898906793244 24.305 > 17 42 Mg 0.22457987243077 0.95939316075578 0.71101093206756 24.305 > 18 43 Mg 0.70727350591089 0.59852004500833 0.04434426540089 24.305 > 13 44 Mg 0.40147995499167 0.10875346090256 0.04434426540089 24.305 > 14 45 Mg 0.44208679423589 0.37394017257755 0.62232240126577 24.305 > 15 46 Mg 0.93185337834166 0.55791320576411 0.62232240126577 24.305 > 16 47 Mg 0.62605982742245 0.06814662165834 0.62232240126577 24.305 > 17 48 Mg 0.89124653909744 0.29272649408911 0.04434426540089 24.305 > 18 49 Mg 0.37394017257755 0.93185337834166 0.37767759873423 24.305 > 13 50 Mg 0.06814662165834 0.44208679423589 0.37767759873423 24.305 > 14 51 Mg 0.10875346090256 0.70727350591089 0.95565573459911 24.305 > 15 52 Mg 0.59852004500833 0.89124653909744 0.95565573459911 24.305 > 16 53 Mg 0.29272649408911 0.40147995499167 0.95565573459911 24.305 > 17 54 Mg 0.55791320576411 0.62605982742245 0.37767759873423 24.305 > 18 *55 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 19 *56 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 20 57 Te 0.66666666666667 0.33333333333333 0.33333333333333 127.600 > 19 58 Te 0.66666666666667 0.33333333333333 0.83333333333333 127.600 > 20 59 Te 0.33333333333333 0.66666666666667 0.66666666666667 127.600 > 19 60 Te 0.33333333333333 0.66666666666667 0.16666666666667 127.600 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.621814767983402 0.000000000000000 0.000000000000000 b -4.310907383991701 7.466710615797461 0.000000000000000 c 0.000000000000000 0.000000000000000 10.367268620000001 Atomic positions (fractional): *1 O 0.16064229807520 0.97431260036205 0.38370932740711 15.999 > 1 2 O 0.81367030228685 0.83935770192480 0.38370932740711 15.999 > 2 3 O 0.02568739963795 0.18632969771315 0.38370932740711 15.999 > 3 4 O 0.83935770192480 0.02568739963795 0.61629067259289 15.999 > 4 5 O 0.18632969771315 0.16064229807520 0.61629067259289 15.999 > 5 6 O 0.97431260036205 0.81367030228685 0.61629067259289 15.999 > 6 *7 O 0.50731869485096 0.63780620622802 0.56749928779676 15.999 > 7 8 O 0.13048751137706 0.49268130514904 0.56749928779676 15.999 > 8 9 O 0.63780620622802 0.13048751137706 0.43250071220323 15.999 > 9 10 O 0.86951248862294 0.50731869485096 0.43250071220323 15.999 > 10 11 O 0.49268130514904 0.36219379377198 0.43250071220323 15.999 > 11 12 O 0.36219379377198 0.86951248862294 0.56749928779676 15.999 > 12 13 O 0.82730896474187 0.30764593369538 0.71704266074044 15.999 > 1 14 O 0.48033696895352 0.17269103525813 0.71704266074044 15.999 > 2 15 O 0.69235406630462 0.51966303104649 0.71704266074044 15.999 > 3 16 O 0.50602436859147 0.35902073297128 0.94962400592622 15.999 > 4 17 O 0.85299636437982 0.49397563140854 0.94962400592622 15.999 > 5 18 O 0.64097926702872 0.14700363562018 0.94962400592622 15.999 > 6 19 O 0.17398536151762 0.97113953956135 0.90083262113010 15.999 > 7 20 O 0.79715417804373 0.82601463848238 0.90083262113010 15.999 > 8 21 O 0.30447287289468 0.46382084471039 0.76583404553657 15.999 > 9 22 O 0.53617915528961 0.84065202818429 0.76583404553657 15.999 > 10 23 O 0.15934797181571 0.69552712710532 0.76583404553657 15.999 > 11 24 O 0.02886046043865 0.20284582195627 0.90083262113010 15.999 > 12 25 O 0.49397563140854 0.64097926702872 0.05037599407378 15.999 > 1 26 O 0.14700363562018 0.50602436859147 0.05037599407378 15.999 > 2 27 O 0.35902073297128 0.85299636437982 0.05037599407378 15.999 > 3 28 O 0.17269103525813 0.69235406630462 0.28295733925956 15.999 > 4 29 O 0.51966303104649 0.82730896474187 0.28295733925956 15.999 > 5 30 O 0.30764593369538 0.48033696895352 0.28295733925956 15.999 > 6 31 O 0.84065202818429 0.30447287289468 0.23416595446343 15.999 > 7 32 O 0.46382084471039 0.15934797181571 0.23416595446343 15.999 > 8 33 O 0.97113953956135 0.79715417804373 0.09916737886990 15.999 > 9 34 O 0.20284582195627 0.17398536151762 0.09916737886990 15.999 > 10 35 O 0.82601463848238 0.02886046043865 0.09916737886990 15.999 > 11 36 O 0.69552712710532 0.53617915528961 0.23416595446343 15.999 > 12 *37 Mg 0.04060683924422 0.26518671167499 0.71101093206756 24.305 > 13 38 Mg 0.73481328832501 0.77542012756923 0.71101093206756 24.305 > 14 39 Mg 0.77542012756923 0.04060683924422 0.28898906793244 24.305 > 15 40 Mg 0.26518671167499 0.22457987243077 0.28898906793244 24.305 > 16 41 Mg 0.95939316075578 0.73481328832501 0.28898906793244 24.305 > 17 42 Mg 0.22457987243077 0.95939316075578 0.71101093206756 24.305 > 18 43 Mg 0.70727350591089 0.59852004500833 0.04434426540089 24.305 > 13 44 Mg 0.40147995499167 0.10875346090256 0.04434426540089 24.305 > 14 45 Mg 0.44208679423589 0.37394017257755 0.62232240126577 24.305 > 15 46 Mg 0.93185337834166 0.55791320576411 0.62232240126577 24.305 > 16 47 Mg 0.62605982742245 0.06814662165834 0.62232240126577 24.305 > 17 48 Mg 0.89124653909744 0.29272649408911 0.04434426540089 24.305 > 18 49 Mg 0.37394017257755 0.93185337834166 0.37767759873423 24.305 > 13 50 Mg 0.06814662165834 0.44208679423589 0.37767759873423 24.305 > 14 51 Mg 0.10875346090256 0.70727350591089 0.95565573459911 24.305 > 15 52 Mg 0.59852004500833 0.89124653909744 0.95565573459911 24.305 > 16 53 Mg 0.29272649408911 0.40147995499167 0.95565573459911 24.305 > 17 54 Mg 0.55791320576411 0.62605982742245 0.37767759873423 24.305 > 18 *55 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 19 *56 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 20 57 Te 0.66666666666667 0.33333333333333 0.33333333333333 127.600 > 19 58 Te 0.66666666666667 0.33333333333333 0.83333333333333 127.600 > 20 59 Te 0.33333333333333 0.66666666666667 0.66666666666667 127.600 > 19 60 Te 0.33333333333333 0.66666666666667 0.16666666666667 127.600 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3993803 -0.0000006 0.0000000 0.0000006 3.3993803 0.0000000 0.0000000 0.0000000 3.3263932 -------------------------- Born effective charges -------------------------- 1 O -2.1703751 0.0688780 0.4281736 0.0582948 -1.5864712 -0.0066268 0.3916043 -0.0825254 -1.7091156 2 O -1.7875146 -0.2793394 -0.2198258 -0.2899226 -1.9693317 -0.3674958 -0.2672712 -0.2978766 -1.7091156 3 O -1.6773797 0.2263362 -0.2083478 0.2157531 -2.0794666 0.3741226 -0.1243331 0.3804020 -1.7091156 4 O -2.1703751 0.0688780 0.4281736 0.0582948 -1.5864712 -0.0066268 0.3916043 -0.0825254 -1.7091156 5 O -1.7875146 -0.2793394 -0.2198258 -0.2899226 -1.9693317 -0.3674958 -0.2672712 -0.2978766 -1.7091156 6 O -1.6773797 0.2263362 -0.2083478 0.2157531 -2.0794666 0.3741226 -0.1243331 0.3804020 -1.7091156 7 O -2.1053938 0.1333224 0.3984524 0.1356310 -1.5196462 -0.0511803 0.3262974 -0.0979397 -1.8659865 8 O -1.7825433 -0.3220288 -0.2435496 -0.3197203 -1.8424967 -0.3194797 -0.2479670 -0.2336120 -1.8659865 9 O -1.5496229 0.1852435 -0.1549027 0.1875521 -2.0754172 0.3706600 -0.0783304 0.3315517 -1.8659865 10 O -1.7825433 -0.3220288 -0.2435496 -0.3197203 -1.8424967 -0.3194797 -0.2479670 -0.2336120 -1.8659865 11 O -2.1053938 0.1333224 0.3984524 0.1356310 -1.5196462 -0.0511803 0.3262974 -0.0979397 -1.8659865 12 O -1.5496229 0.1852435 -0.1549027 0.1875521 -2.0754172 0.3706600 -0.0783304 0.3315517 -1.8659865 13 Mg 2.0244258 -0.0469335 -0.0003417 0.0095183 2.2616999 -0.1177904 -0.2437719 0.1303080 2.0787392 14 Mg 2.1861801 0.0838706 0.1021803 0.1403224 2.0999456 0.0585993 0.0090359 -0.2762667 2.0787392 15 Mg 2.2185827 -0.1216148 -0.1018386 -0.0651630 2.0675430 0.0591911 0.2347360 0.1459587 2.0787392 16 Mg 2.1861801 0.0838706 0.1021803 0.1403224 2.0999456 0.0585993 0.0090359 -0.2762667 2.0787392 17 Mg 2.0244258 -0.0469335 -0.0003417 0.0095183 2.2616999 -0.1177904 -0.2437719 0.1303080 2.0787392 18 Mg 2.2185827 -0.1216148 -0.1018386 -0.0651630 2.0675430 0.0591911 0.2347360 0.1459587 2.0787392 19 Te 4.7762721 0.1073973 -0.0000000 -0.1073973 4.7762721 -0.0000000 -0.0000000 -0.0000000 4.1859205 20 Te 4.5110097 0.0371341 -0.0000000 -0.0371341 4.5110097 -0.0000000 -0.0000000 -0.0000000 4.7922568 ---------------------------------------------------------------------------- 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: 424 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): 0.003 Solver_block: 100 / 400 - Time: 0.628 Solver_block: 200 / 400 - Time: 0.552 Solver_block: 300 / 400 - Time: 0.554 Solver_block: 400 / 400 - Time: 0.570 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.447 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 424 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:23:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:23:06]------------------------- 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 4.310907383991705 2.488903538599151 3.455756206666663 b -4.310907383991696 2.488903538599151 3.455756206666663 c 0.000000000000004 -4.977807077198309 3.455756206666663 Atomic positions (fractional): 1 O 0.54435162548231 0.19737962969396 0.40939672704506 15.999 2 O 0.19737962969396 0.40939672704506 0.54435162548231 15.999 3 O 0.40939672704506 0.54435162548231 0.19737962969396 15.999 4 O 0.45564837451769 0.80262037030604 0.59060327295494 15.999 5 O 0.80262037030604 0.59060327295494 0.45564837451769 15.999 6 O 0.59060327295494 0.45564837451769 0.80262037030604 15.999 7 O 0.07481798264772 0.69798679917383 0.92969308156875 15.999 8 O 0.69798679917383 0.92969308156875 0.07481798264772 15.999 9 O 0.07030691843125 0.92518201735228 0.30201320082617 15.999 10 O 0.30201320082617 0.07030691843125 0.92518201735228 15.999 11 O 0.92518201735228 0.30201320082618 0.07030691843125 15.999 12 O 0.92969308156875 0.07481798264772 0.69798679917383 15.999 13 Mg 0.75161777131178 0.93559080449834 0.44582422039257 24.305 14 Mg 0.44582422039257 0.75161777131178 0.93559080449833 24.305 15 Mg 0.06440919550167 0.55417577960743 0.24838222868822 24.305 16 Mg 0.55417577960743 0.24838222868822 0.06440919550167 24.305 17 Mg 0.24838222868822 0.06440919550167 0.55417577960743 24.305 18 Mg 0.93559080449833 0.44582422039257 0.75161777131178 24.305 19 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 20 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.621814767983402 0.000000000000000 0.000000000000000 b -4.310907383991701 7.466710615797461 0.000000000000000 c 0.000000000000000 0.000000000000000 10.367268620000001 Atomic positions (fractional): 1 O 0.16064229807520 0.97431260036205 0.38370932740711 15.999 > 1 2 O 0.81367030228685 0.83935770192480 0.38370932740711 15.999 > 2 3 O 0.02568739963795 0.18632969771315 0.38370932740711 15.999 > 3 4 O 0.83935770192480 0.02568739963795 0.61629067259289 15.999 > 4 5 O 0.18632969771315 0.16064229807520 0.61629067259289 15.999 > 5 6 O 0.97431260036205 0.81367030228685 0.61629067259289 15.999 > 6 7 O 0.50731869485096 0.63780620622802 0.56749928779676 15.999 > 7 8 O 0.13048751137706 0.49268130514904 0.56749928779676 15.999 > 8 9 O 0.63780620622802 0.13048751137706 0.43250071220323 15.999 > 9 10 O 0.86951248862294 0.50731869485096 0.43250071220323 15.999 > 10 11 O 0.49268130514904 0.36219379377198 0.43250071220323 15.999 > 11 12 O 0.36219379377198 0.86951248862294 0.56749928779676 15.999 > 12 13 O 0.82730896474187 0.30764593369538 0.71704266074044 15.999 > 1 14 O 0.48033696895352 0.17269103525813 0.71704266074044 15.999 > 2 15 O 0.69235406630462 0.51966303104649 0.71704266074044 15.999 > 3 16 O 0.50602436859147 0.35902073297128 0.94962400592622 15.999 > 4 17 O 0.85299636437982 0.49397563140854 0.94962400592622 15.999 > 5 18 O 0.64097926702872 0.14700363562018 0.94962400592622 15.999 > 6 19 O 0.17398536151762 0.97113953956135 0.90083262113010 15.999 > 7 20 O 0.79715417804373 0.82601463848238 0.90083262113010 15.999 > 8 21 O 0.30447287289468 0.46382084471039 0.76583404553657 15.999 > 9 22 O 0.53617915528961 0.84065202818429 0.76583404553657 15.999 > 10 23 O 0.15934797181571 0.69552712710532 0.76583404553657 15.999 > 11 24 O 0.02886046043865 0.20284582195627 0.90083262113010 15.999 > 12 25 O 0.49397563140854 0.64097926702872 0.05037599407378 15.999 > 1 26 O 0.14700363562018 0.50602436859147 0.05037599407378 15.999 > 2 27 O 0.35902073297128 0.85299636437982 0.05037599407378 15.999 > 3 28 O 0.17269103525813 0.69235406630462 0.28295733925956 15.999 > 4 29 O 0.51966303104649 0.82730896474187 0.28295733925956 15.999 > 5 30 O 0.30764593369538 0.48033696895352 0.28295733925956 15.999 > 6 31 O 0.84065202818429 0.30447287289468 0.23416595446343 15.999 > 7 32 O 0.46382084471039 0.15934797181571 0.23416595446343 15.999 > 8 33 O 0.97113953956135 0.79715417804373 0.09916737886990 15.999 > 9 34 O 0.20284582195627 0.17398536151762 0.09916737886990 15.999 > 10 35 O 0.82601463848238 0.02886046043865 0.09916737886990 15.999 > 11 36 O 0.69552712710532 0.53617915528961 0.23416595446343 15.999 > 12 37 Mg 0.04060683924422 0.26518671167499 0.71101093206756 24.305 > 37 38 Mg 0.73481328832501 0.77542012756923 0.71101093206756 24.305 > 38 39 Mg 0.77542012756923 0.04060683924422 0.28898906793244 24.305 > 39 40 Mg 0.26518671167499 0.22457987243077 0.28898906793244 24.305 > 40 41 Mg 0.95939316075578 0.73481328832501 0.28898906793244 24.305 > 41 42 Mg 0.22457987243077 0.95939316075578 0.71101093206756 24.305 > 42 43 Mg 0.70727350591089 0.59852004500833 0.04434426540089 24.305 > 37 44 Mg 0.40147995499167 0.10875346090256 0.04434426540089 24.305 > 38 45 Mg 0.44208679423589 0.37394017257755 0.62232240126577 24.305 > 39 46 Mg 0.93185337834166 0.55791320576411 0.62232240126577 24.305 > 40 47 Mg 0.62605982742245 0.06814662165834 0.62232240126577 24.305 > 41 48 Mg 0.89124653909744 0.29272649408911 0.04434426540089 24.305 > 42 49 Mg 0.37394017257755 0.93185337834166 0.37767759873423 24.305 > 37 50 Mg 0.06814662165834 0.44208679423589 0.37767759873423 24.305 > 38 51 Mg 0.10875346090256 0.70727350591089 0.95565573459911 24.305 > 39 52 Mg 0.59852004500833 0.89124653909744 0.95565573459911 24.305 > 40 53 Mg 0.29272649408911 0.40147995499167 0.95565573459911 24.305 > 41 54 Mg 0.55791320576411 0.62605982742245 0.37767759873423 24.305 > 42 55 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 55 56 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 56 57 Te 0.66666666666667 0.33333333333333 0.33333333333333 127.600 > 55 58 Te 0.66666666666667 0.33333333333333 0.83333333333333 127.600 > 56 59 Te 0.33333333333333 0.66666666666667 0.66666666666667 127.600 > 55 60 Te 0.33333333333333 0.66666666666667 0.16666666666667 127.600 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3993803 -0.0000006 0.0000000 0.0000006 3.3993803 0.0000000 0.0000000 0.0000000 3.3263932 -------------------------- Born effective charges -------------------------- 1 O -2.1703751 0.0688780 0.4281736 0.0582948 -1.5864712 -0.0066268 0.3916043 -0.0825254 -1.7091156 2 O -1.7875146 -0.2793394 -0.2198258 -0.2899226 -1.9693317 -0.3674958 -0.2672712 -0.2978766 -1.7091156 3 O -1.6773797 0.2263362 -0.2083478 0.2157531 -2.0794666 0.3741226 -0.1243331 0.3804020 -1.7091156 4 O -2.1703751 0.0688780 0.4281736 0.0582948 -1.5864712 -0.0066268 0.3916043 -0.0825254 -1.7091156 5 O -1.7875146 -0.2793394 -0.2198258 -0.2899226 -1.9693317 -0.3674958 -0.2672712 -0.2978766 -1.7091156 6 O -1.6773797 0.2263362 -0.2083478 0.2157531 -2.0794666 0.3741226 -0.1243331 0.3804020 -1.7091156 7 O -2.1053938 0.1333224 0.3984524 0.1356310 -1.5196462 -0.0511803 0.3262974 -0.0979397 -1.8659865 8 O -1.7825433 -0.3220288 -0.2435496 -0.3197203 -1.8424967 -0.3194797 -0.2479670 -0.2336120 -1.8659865 9 O -1.5496229 0.1852435 -0.1549027 0.1875521 -2.0754172 0.3706600 -0.0783304 0.3315517 -1.8659865 10 O -1.7825433 -0.3220288 -0.2435496 -0.3197203 -1.8424967 -0.3194797 -0.2479670 -0.2336120 -1.8659865 11 O -2.1053938 0.1333224 0.3984524 0.1356310 -1.5196462 -0.0511803 0.3262974 -0.0979397 -1.8659865 12 O -1.5496229 0.1852435 -0.1549027 0.1875521 -2.0754172 0.3706600 -0.0783304 0.3315517 -1.8659865 13 Mg 2.0244258 -0.0469335 -0.0003417 0.0095183 2.2616999 -0.1177904 -0.2437719 0.1303080 2.0787392 14 Mg 2.1861801 0.0838706 0.1021803 0.1403224 2.0999456 0.0585993 0.0090359 -0.2762667 2.0787392 15 Mg 2.2185827 -0.1216148 -0.1018386 -0.0651630 2.0675430 0.0591911 0.2347360 0.1459587 2.0787392 16 Mg 2.1861801 0.0838706 0.1021803 0.1403224 2.0999456 0.0585993 0.0090359 -0.2762667 2.0787392 17 Mg 2.0244258 -0.0469335 -0.0003417 0.0095183 2.2616999 -0.1177904 -0.2437719 0.1303080 2.0787392 18 Mg 2.2185827 -0.1216148 -0.1018386 -0.0651630 2.0675430 0.0591911 0.2347360 0.1459587 2.0787392 19 Te 4.7762721 0.1073973 -0.0000000 -0.1073973 4.7762721 -0.0000000 -0.0000000 -0.0000000 4.1859205 20 Te 4.5110097 0.0371341 -0.0000000 -0.0371341 4.5110097 -0.0000000 -0.0000000 -0.0000000 4.7922568 ---------------------------------------------------------------------------- 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[ 7, 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[ 37, 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[ 55, 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[ 56, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 2026-01-07 19:23:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:23:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 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 4.310907383991705 2.488903538599151 3.455756206666663 b -4.310907383991696 2.488903538599151 3.455756206666663 c 0.000000000000004 -4.977807077198309 3.455756206666663 Atomic positions (fractional): 1 O 0.54435162548231 0.19737962969396 0.40939672704506 15.999 2 O 0.19737962969396 0.40939672704506 0.54435162548231 15.999 3 O 0.40939672704506 0.54435162548231 0.19737962969396 15.999 4 O 0.45564837451769 0.80262037030604 0.59060327295494 15.999 5 O 0.80262037030604 0.59060327295494 0.45564837451769 15.999 6 O 0.59060327295494 0.45564837451769 0.80262037030604 15.999 7 O 0.07481798264772 0.69798679917383 0.92969308156875 15.999 8 O 0.69798679917383 0.92969308156875 0.07481798264772 15.999 9 O 0.07030691843125 0.92518201735228 0.30201320082617 15.999 10 O 0.30201320082617 0.07030691843125 0.92518201735228 15.999 11 O 0.92518201735228 0.30201320082618 0.07030691843125 15.999 12 O 0.92969308156875 0.07481798264772 0.69798679917383 15.999 13 Mg 0.75161777131178 0.93559080449834 0.44582422039257 24.305 14 Mg 0.44582422039257 0.75161777131178 0.93559080449833 24.305 15 Mg 0.06440919550167 0.55417577960743 0.24838222868822 24.305 16 Mg 0.55417577960743 0.24838222868822 0.06440919550167 24.305 17 Mg 0.24838222868822 0.06440919550167 0.55417577960743 24.305 18 Mg 0.93559080449833 0.44582422039257 0.75161777131178 24.305 19 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 20 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.621814767983402 0.000000000000000 0.000000000000000 b -4.310907383991701 7.466710615797461 0.000000000000000 c 0.000000000000000 0.000000000000000 10.367268620000001 Atomic positions (fractional): 1 O 0.16064229807520 0.97431260036205 0.38370932740711 15.999 > 1 2 O 0.81367030228685 0.83935770192480 0.38370932740711 15.999 > 2 3 O 0.02568739963795 0.18632969771315 0.38370932740711 15.999 > 3 4 O 0.83935770192480 0.02568739963795 0.61629067259289 15.999 > 4 5 O 0.18632969771315 0.16064229807520 0.61629067259289 15.999 > 5 6 O 0.97431260036205 0.81367030228685 0.61629067259289 15.999 > 6 7 O 0.50731869485096 0.63780620622802 0.56749928779676 15.999 > 7 8 O 0.13048751137706 0.49268130514904 0.56749928779676 15.999 > 8 9 O 0.63780620622802 0.13048751137706 0.43250071220323 15.999 > 9 10 O 0.86951248862294 0.50731869485096 0.43250071220323 15.999 > 10 11 O 0.49268130514904 0.36219379377198 0.43250071220323 15.999 > 11 12 O 0.36219379377198 0.86951248862294 0.56749928779676 15.999 > 12 13 O 0.82730896474187 0.30764593369538 0.71704266074044 15.999 > 1 14 O 0.48033696895352 0.17269103525813 0.71704266074044 15.999 > 2 15 O 0.69235406630462 0.51966303104649 0.71704266074044 15.999 > 3 16 O 0.50602436859147 0.35902073297128 0.94962400592622 15.999 > 4 17 O 0.85299636437982 0.49397563140854 0.94962400592622 15.999 > 5 18 O 0.64097926702872 0.14700363562018 0.94962400592622 15.999 > 6 19 O 0.17398536151762 0.97113953956135 0.90083262113010 15.999 > 7 20 O 0.79715417804373 0.82601463848238 0.90083262113010 15.999 > 8 21 O 0.30447287289468 0.46382084471039 0.76583404553657 15.999 > 9 22 O 0.53617915528961 0.84065202818429 0.76583404553657 15.999 > 10 23 O 0.15934797181571 0.69552712710532 0.76583404553657 15.999 > 11 24 O 0.02886046043865 0.20284582195627 0.90083262113010 15.999 > 12 25 O 0.49397563140854 0.64097926702872 0.05037599407378 15.999 > 1 26 O 0.14700363562018 0.50602436859147 0.05037599407378 15.999 > 2 27 O 0.35902073297128 0.85299636437982 0.05037599407378 15.999 > 3 28 O 0.17269103525813 0.69235406630462 0.28295733925956 15.999 > 4 29 O 0.51966303104649 0.82730896474187 0.28295733925956 15.999 > 5 30 O 0.30764593369538 0.48033696895352 0.28295733925956 15.999 > 6 31 O 0.84065202818429 0.30447287289468 0.23416595446343 15.999 > 7 32 O 0.46382084471039 0.15934797181571 0.23416595446343 15.999 > 8 33 O 0.97113953956135 0.79715417804373 0.09916737886990 15.999 > 9 34 O 0.20284582195627 0.17398536151762 0.09916737886990 15.999 > 10 35 O 0.82601463848238 0.02886046043865 0.09916737886990 15.999 > 11 36 O 0.69552712710532 0.53617915528961 0.23416595446343 15.999 > 12 37 Mg 0.04060683924422 0.26518671167499 0.71101093206756 24.305 > 37 38 Mg 0.73481328832501 0.77542012756923 0.71101093206756 24.305 > 38 39 Mg 0.77542012756923 0.04060683924422 0.28898906793244 24.305 > 39 40 Mg 0.26518671167499 0.22457987243077 0.28898906793244 24.305 > 40 41 Mg 0.95939316075578 0.73481328832501 0.28898906793244 24.305 > 41 42 Mg 0.22457987243077 0.95939316075578 0.71101093206756 24.305 > 42 43 Mg 0.70727350591089 0.59852004500833 0.04434426540089 24.305 > 37 44 Mg 0.40147995499167 0.10875346090256 0.04434426540089 24.305 > 38 45 Mg 0.44208679423589 0.37394017257755 0.62232240126577 24.305 > 39 46 Mg 0.93185337834166 0.55791320576411 0.62232240126577 24.305 > 40 47 Mg 0.62605982742245 0.06814662165834 0.62232240126577 24.305 > 41 48 Mg 0.89124653909744 0.29272649408911 0.04434426540089 24.305 > 42 49 Mg 0.37394017257755 0.93185337834166 0.37767759873423 24.305 > 37 50 Mg 0.06814662165834 0.44208679423589 0.37767759873423 24.305 > 38 51 Mg 0.10875346090256 0.70727350591089 0.95565573459911 24.305 > 39 52 Mg 0.59852004500833 0.89124653909744 0.95565573459911 24.305 > 40 53 Mg 0.29272649408911 0.40147995499167 0.95565573459911 24.305 > 41 54 Mg 0.55791320576411 0.62605982742245 0.37767759873423 24.305 > 42 55 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 55 56 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 56 57 Te 0.66666666666667 0.33333333333333 0.33333333333333 127.600 > 55 58 Te 0.66666666666667 0.33333333333333 0.83333333333333 127.600 > 56 59 Te 0.33333333333333 0.66666666666667 0.66666666666667 127.600 > 55 60 Te 0.33333333333333 0.66666666666667 0.16666666666667 127.600 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3993803 -0.0000006 0.0000000 0.0000006 3.3993803 0.0000000 0.0000000 0.0000000 3.3263932 -------------------------- Born effective charges -------------------------- 1 O -2.1703751 0.0688780 0.4281736 0.0582948 -1.5864712 -0.0066268 0.3916043 -0.0825254 -1.7091156 2 O -1.7875146 -0.2793394 -0.2198258 -0.2899226 -1.9693317 -0.3674958 -0.2672712 -0.2978766 -1.7091156 3 O -1.6773797 0.2263362 -0.2083478 0.2157531 -2.0794666 0.3741226 -0.1243331 0.3804020 -1.7091156 4 O -2.1703751 0.0688780 0.4281736 0.0582948 -1.5864712 -0.0066268 0.3916043 -0.0825254 -1.7091156 5 O -1.7875146 -0.2793394 -0.2198258 -0.2899226 -1.9693317 -0.3674958 -0.2672712 -0.2978766 -1.7091156 6 O -1.6773797 0.2263362 -0.2083478 0.2157531 -2.0794666 0.3741226 -0.1243331 0.3804020 -1.7091156 7 O -2.1053938 0.1333224 0.3984524 0.1356310 -1.5196462 -0.0511803 0.3262974 -0.0979397 -1.8659865 8 O -1.7825433 -0.3220288 -0.2435496 -0.3197203 -1.8424967 -0.3194797 -0.2479670 -0.2336120 -1.8659865 9 O -1.5496229 0.1852435 -0.1549027 0.1875521 -2.0754172 0.3706600 -0.0783304 0.3315517 -1.8659865 10 O -1.7825433 -0.3220288 -0.2435496 -0.3197203 -1.8424967 -0.3194797 -0.2479670 -0.2336120 -1.8659865 11 O -2.1053938 0.1333224 0.3984524 0.1356310 -1.5196462 -0.0511803 0.3262974 -0.0979397 -1.8659865 12 O -1.5496229 0.1852435 -0.1549027 0.1875521 -2.0754172 0.3706600 -0.0783304 0.3315517 -1.8659865 13 Mg 2.0244258 -0.0469335 -0.0003417 0.0095183 2.2616999 -0.1177904 -0.2437719 0.1303080 2.0787392 14 Mg 2.1861801 0.0838706 0.1021803 0.1403224 2.0999456 0.0585993 0.0090359 -0.2762667 2.0787392 15 Mg 2.2185827 -0.1216148 -0.1018386 -0.0651630 2.0675430 0.0591911 0.2347360 0.1459587 2.0787392 16 Mg 2.1861801 0.0838706 0.1021803 0.1403224 2.0999456 0.0585993 0.0090359 -0.2762667 2.0787392 17 Mg 2.0244258 -0.0469335 -0.0003417 0.0095183 2.2616999 -0.1177904 -0.2437719 0.1303080 2.0787392 18 Mg 2.2185827 -0.1216148 -0.1018386 -0.0651630 2.0675430 0.0591911 0.2347360 0.1459587 2.0787392 19 Te 4.7762721 0.1073973 -0.0000000 -0.1073973 4.7762721 -0.0000000 -0.0000000 -0.0000000 4.1859205 20 Te 4.5110097 0.0371341 -0.0000000 -0.0371341 4.5110097 -0.0000000 -0.0000000 -0.0000000 4.7922568 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.69, Number of G-points: 299, Lambda: 0.13 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 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 4.386 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.606 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.392 ( 0.000 0.000 0.000) 0.000 8.392 ( 0.000 0.000 0.000) 0.000 8.558 ( 0.000 0.000 0.000) 0.000 8.727 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 10.080 ( 0.000 0.000 0.000) 0.000 10.080 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 10.937 ( 0.000 0.000 0.000) 0.000 11.048 ( 0.000 0.000 0.000) 0.000 11.048 ( 0.000 0.000 0.000) 0.000 11.127 ( 0.000 0.000 0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 12.497 ( 0.000 0.000 0.000) 0.000 12.497 ( 0.000 0.000 0.000) 0.000 12.720 ( 0.000 0.000 0.000) 0.000 12.962 ( 0.000 0.000 0.000) 0.000 12.962 ( 0.000 0.000 0.000) 0.000 13.424 ( 0.000 0.000 0.000) 0.000 13.553 ( 0.000 0.000 0.000) 0.000 14.344 ( 0.000 0.000 0.000) 0.000 14.344 ( 0.000 0.000 0.000) 0.000 14.725 ( 0.000 0.000 0.000) 0.000 14.725 ( 0.000 0.000 0.000) 0.000 15.644 ( 0.000 0.000 0.000) 0.000 18.776 ( 0.000 0.000 0.000) 0.000 19.713 ( 0.000 0.000 0.000) 0.000 19.713 ( 0.000 0.000 0.000) 0.000 19.933 ( 0.000 0.000 0.000) 0.000 19.933 ( 0.000 0.000 0.000) 0.000 20.301 ( 0.000 0.000 0.000) 0.000 20.301 ( 0.000 0.000 0.000) 0.000 21.217 ( 0.000 0.000 0.000) 0.000 21.267 ( 0.000 0.000 0.000) 0.000 21.267 ( 0.000 0.000 0.000) 0.000 22.306 ( 0.000 0.000 0.000) 0.000 22.604 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 31.204 30.877 6.721) 44.410 0.823 ( 8.457 32.696 34.601) 48.351 1.468 ( 57.718 10.492 42.546) 72.468 4.314 ( -6.317 -6.774 -0.528) 9.277 4.415 ( -4.131 -1.435 -0.316) 4.385 4.685 ( 2.995 3.673 0.745) 4.798 6.038 ( -8.159 0.121 -4.785) 9.459 6.137 ( -4.171 -3.482 3.232) 6.322 6.279 ( -0.017 -5.451 2.194) 5.876 6.316 ( -2.917 -0.916 6.590) 7.265 7.224 ( -0.859 2.042 -9.508) 9.763 7.304 ( -10.524 -13.129 -9.861) 19.503 7.592 ( -2.378 0.369 -3.916) 4.597 7.729 ( -1.416 9.676 -3.302) 10.322 7.860 ( 9.741 -3.261 -3.218) 10.765 8.037 ( -9.511 7.481 -1.249) 12.165 8.226 ( 3.584 -4.381 -1.508) 5.858 8.266 ( -2.171 0.464 -1.457) 2.655 8.414 ( 6.652 -3.042 0.173) 7.317 8.630 ( 15.794 2.898 0.145) 16.058 8.727 ( 6.445 1.724 5.341) 8.547 8.955 ( 0.266 15.853 -0.364) 15.860 9.178 ( -9.584 -7.051 1.838) 12.040 9.483 ( 2.735 2.175 -14.908) 15.312 9.800 ( 13.201 -5.267 -18.011) 22.944 9.995 ( -3.392 -7.527 -3.609) 9.010 10.085 ( 0.749 0.844 1.843) 2.161 10.193 ( -4.986 10.639 1.923) 11.906 10.733 ( -3.105 -7.423 -3.517) 8.781 10.797 ( -4.296 -5.243 -0.056) 6.778 10.970 ( -6.032 4.526 3.561) 8.340 11.058 ( -0.069 5.017 -4.011) 6.424 11.185 ( 5.517 2.895 3.226) 7.016 11.448 ( 4.543 2.903 3.959) 6.689 11.473 ( -0.849 -4.551 10.585) 11.553 11.627 ( 5.401 3.721 6.316) 9.106 12.486 ( -1.406 -3.172 2.065) 4.038 12.640 ( 2.212 3.307 -5.817) 7.048 12.961 ( -0.646 1.388 -0.276) 1.556 13.007 ( 6.068 0.568 -1.065) 6.187 13.423 ( -0.542 -0.149 -0.192) 0.594 13.577 ( 1.207 0.854 2.469) 2.878 14.256 ( -9.742 -1.083 1.334) 9.892 14.297 ( -6.252 -2.083 1.930) 6.867 14.558 ( 1.037 -8.324 8.823) 12.174 14.723 ( 0.649 2.458 -2.827) 3.802 15.578 ( 7.568 4.156 -10.000) 13.212 15.731 ( 2.055 2.060 -6.430) 7.058 18.963 ( -15.198 -11.073 22.605) 29.403 19.592 ( -12.713 10.345 -6.893) 17.781 19.922 ( -0.411 -4.586 1.973) 5.009 20.025 ( 10.156 -2.987 -0.178) 10.588 20.212 ( -4.221 -0.664 -1.344) 4.479 20.319 ( 4.864 -2.346 0.372) 5.413 20.837 ( 12.908 12.180 -29.324) 34.277 21.235 ( -0.933 -4.147 -1.155) 4.405 21.460 ( 11.681 9.907 5.165) 16.164 22.303 ( 0.302 0.241 -0.960) 1.035 22.601 ( -0.327 -0.149 0.024) 0.360 23.020 ( -11.017 -9.479 14.913) 20.823 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 29.835 26.298 9.296) 40.843 1.619 ( 9.427 33.689 29.511) 45.768 2.839 ( 52.002 8.020 38.068) 64.943 4.077 ( -14.458 -11.753 -1.554) 18.698 4.146 ( -10.104 -12.476 -11.833) 19.944 4.912 ( 6.961 12.833 6.240) 15.877 5.888 ( -9.935 6.935 -1.831) 12.253 6.060 ( -6.240 -7.315 4.417) 10.581 6.226 ( -2.730 -8.781 1.498) 9.317 6.336 ( -2.837 -8.607 9.544) 13.161 6.932 ( -5.289 -11.511 -12.449) 17.761 7.096 ( -2.104 6.652 -10.135) 12.304 7.542 ( -0.459 1.392 -3.565) 3.854 7.724 ( -0.852 7.558 -10.073) 12.622 7.824 ( -7.972 1.828 2.274) 8.489 7.987 ( -1.008 -0.013 -0.621) 1.184 8.213 ( 5.611 -1.849 -5.561) 8.113 8.287 ( -2.648 -0.876 6.750) 7.304 8.505 ( 11.673 -3.437 -7.619) 14.357 8.716 ( -6.727 -2.214 -9.365) 11.741 8.830 ( 7.775 2.330 -3.068) 8.677 8.920 ( -7.405 0.159 12.562) 14.583 9.235 ( -6.529 4.093 6.158) 9.864 9.426 ( 11.185 5.367 -8.721) 15.164 9.767 ( 11.613 0.820 -21.714) 24.638 9.840 ( -0.558 -11.186 8.311) 13.947 10.039 ( -12.311 4.437 -4.433) 13.817 10.190 ( 4.064 0.366 3.589) 5.434 10.596 ( -3.603 -3.950 -2.978) 6.120 10.783 ( 0.832 -3.561 4.227) 5.589 10.979 ( -2.561 1.363 0.764) 3.000 11.088 ( 1.598 5.594 0.276) 5.824 11.347 ( 5.801 4.770 3.107) 8.127 11.477 ( -4.027 3.959 3.568) 6.679 11.609 ( 8.394 0.718 -2.616) 8.821 11.788 ( 4.823 1.136 3.101) 5.845 12.460 ( -1.706 -4.321 3.255) 5.672 12.661 ( 1.257 2.910 1.416) 3.471 12.959 ( -1.441 2.512 -0.223) 2.905 13.093 ( 8.117 -0.959 -2.920) 8.679 13.395 ( -3.128 -1.510 1.842) 3.932 13.653 ( 2.438 2.983 1.634) 4.185 14.120 ( -9.867 -0.406 1.592) 10.003 14.202 ( -7.017 -2.099 2.792) 7.838 14.572 ( 0.896 -9.953 3.493) 10.586 14.715 ( 0.221 2.546 -3.048) 3.978 15.605 ( 3.817 1.154 -3.730) 5.460 15.707 ( 1.222 2.467 -3.647) 4.569 18.913 ( -6.540 -7.623 8.736) 13.312 19.409 ( -12.334 10.793 -6.915) 17.788 19.897 ( -0.151 -5.277 1.674) 5.539 20.049 ( 2.811 -4.088 -7.703) 9.162 20.213 ( 2.138 0.935 6.034) 6.470 20.389 ( 6.242 -2.524 0.216) 6.736 20.803 ( 0.231 12.555 -9.583) 15.796 21.147 ( -0.875 -8.584 -2.256) 8.919 21.806 ( 11.323 10.312 8.428) 17.481 22.297 ( 0.655 0.912 -1.839) 2.155 22.594 ( -0.626 -0.052 0.076) 0.633 22.932 ( -6.085 -9.101 4.187) 11.721 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 22.658 20.296 16.120) 34.426 2.368 ( 15.430 33.286 17.961) 40.849 3.616 ( -10.793 -19.827 -2.164) 22.678 3.624 ( -15.318 -13.451 -14.179) 24.832 4.103 ( 36.874 1.498 25.483) 44.848 5.114 ( -2.329 13.780 -1.657) 14.074 5.833 ( -6.469 7.770 0.109) 10.111 5.925 ( -10.777 -4.554 2.883) 12.049 6.105 ( -1.771 -9.992 -0.268) 10.151 6.306 ( -0.488 -11.318 3.040) 11.729 6.694 ( -2.628 -3.902 -5.454) 7.203 7.115 ( 5.372 5.282 0.454) 7.548 7.516 ( -1.030 1.899 0.890) 2.336 7.638 ( 0.999 5.241 -11.035) 12.257 7.750 ( -7.313 -2.817 0.925) 7.891 7.896 ( -6.005 0.595 -4.709) 7.654 8.201 ( 1.404 -3.273 -2.501) 4.352 8.277 ( -4.604 1.639 -0.040) 4.887 8.463 ( 6.434 -0.908 -10.241) 12.129 8.684 ( 8.225 1.417 -1.480) 8.476 8.752 ( -14.441 -6.027 0.562) 15.658 8.869 ( -1.537 0.003 -1.816) 2.379 9.276 ( -3.953 -0.335 10.725) 11.435 9.541 ( 1.593 6.830 -6.058) 9.267 9.635 ( 5.712 -7.214 -6.668) 11.364 9.938 ( -0.093 5.610 -0.773) 5.664 10.013 ( 10.955 4.426 2.417) 12.060 10.307 ( 4.353 -2.749 4.341) 6.734 10.486 ( -3.638 -1.370 -2.780) 4.779 10.782 ( -1.200 -3.270 1.122) 3.659 10.922 ( -3.790 -2.781 -0.756) 4.761 11.177 ( 1.853 5.182 1.290) 5.653 11.457 ( 0.805 -0.701 1.784) 2.079 11.518 ( -3.202 7.890 5.546) 10.162 11.658 ( 6.946 0.104 -7.788) 10.436 11.858 ( 2.406 -0.105 0.048) 2.409 12.453 ( -0.690 -2.852 3.147) 4.302 12.761 ( 4.397 2.743 3.960) 6.522 12.954 ( -3.110 3.506 0.229) 4.692 13.115 ( 4.241 -4.799 -5.047) 8.154 13.382 ( -1.507 -0.323 3.529) 3.851 13.695 ( -0.030 1.805 -1.249) 2.195 14.003 ( -9.389 0.215 2.509) 9.721 14.181 ( 0.686 1.856 2.235) 2.985 14.508 ( -1.465 -9.216 0.753) 9.362 14.702 ( -0.027 1.338 -1.815) 2.256 15.609 ( 1.574 0.217 -2.481) 2.947 15.725 ( 1.442 1.878 -0.578) 2.437 18.867 ( -2.585 -4.764 3.509) 6.457 19.268 ( -7.488 6.880 -4.318) 11.048 19.876 ( 0.314 -3.213 0.629) 3.289 19.963 ( -0.422 -2.315 -3.440) 4.168 20.337 ( 3.348 0.749 5.050) 6.105 20.444 ( 5.529 -2.604 -2.410) 6.570 20.819 ( -5.278 16.166 -1.568) 17.078 21.023 ( 1.108 -12.995 -2.890) 13.358 22.122 ( 7.103 6.362 8.006) 12.451 22.301 ( 1.895 3.349 -2.741) 4.725 22.588 ( -0.666 0.722 0.358) 1.046 22.797 ( -4.755 -9.353 -0.254) 10.495 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.069 ( -0.000 -0.000 -0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 4.807 ( -0.000 0.000 -0.000) 0.000 4.971 ( 0.000 -0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 -0.000 0.000) 0.000 6.035 ( 0.000 -0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.641 ( -0.000 0.000 0.000) 0.000 7.233 ( 0.000 -0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 -0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 8.143 ( -0.000 0.000 0.000) 0.000 8.270 ( 0.000 -0.000 0.000) 0.000 8.471 ( 0.000 0.000 0.000) 0.000 8.572 ( 0.000 0.000 0.000) 0.000 8.788 ( -0.000 0.000 0.000) 0.000 8.820 ( 0.000 0.000 0.000) 0.000 9.315 ( -0.000 0.000 0.000) 0.000 9.497 ( 0.000 -0.000 -0.000) 0.000 9.633 ( -0.000 0.000 0.000) 0.000 10.000 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.327 ( -0.000 0.000 0.000) 0.000 10.436 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 10.857 ( 0.000 0.000 0.000) 0.000 11.225 ( 0.000 0.000 0.000) 0.000 11.460 ( 0.000 0.000 0.000) 0.000 11.580 ( 0.000 0.000 -0.000) 0.000 11.649 ( 0.000 0.000 0.000) 0.000 11.874 ( 0.000 0.000 0.000) 0.000 12.457 ( 0.000 0.000 0.000) 0.000 12.880 ( -0.000 0.000 -0.000) 0.000 12.919 ( 0.000 -0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 13.402 ( -0.000 0.000 0.000) 0.000 13.686 ( 0.000 0.000 0.000) 0.000 13.943 ( 0.000 0.000 0.000) 0.000 14.237 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 14.696 ( 0.000 0.000 0.000) 0.000 15.605 ( 0.000 0.000 0.000) 0.000 15.743 ( -0.000 0.000 0.000) 0.000 18.849 ( 0.000 0.000 0.000) 0.000 19.215 ( 0.000 0.000 -0.000) 0.000 19.869 ( 0.000 0.000 -0.000) 0.000 19.928 ( 0.000 0.000 0.000) 0.000 20.412 ( -0.000 0.000 0.000) 0.000 20.447 ( 0.000 -0.000 -0.000) 0.000 20.867 ( 0.000 -0.000 0.000) 0.000 20.928 ( 0.000 0.000 0.000) 0.000 22.237 ( 0.000 0.000 0.000) 0.000 22.351 ( 0.000 0.000 0.000) 0.000 22.600 ( 0.000 0.000 0.000) 0.000 22.685 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 7.076 18.749 27.039) 33.656 1.247 ( 16.393 15.273 40.506) 46.289 2.095 ( -13.374 44.647 52.020) 69.845 4.354 ( -3.592 -6.135 -0.570) 7.132 4.484 ( -8.750 -3.087 1.980) 9.488 4.580 ( 12.057 -0.447 -1.936) 12.220 5.941 ( 3.431 -11.773 -4.976) 13.234 6.210 ( -0.385 1.865 3.055) 3.600 6.293 ( -2.978 -9.476 5.975) 11.591 6.458 ( -2.085 3.789 9.968) 10.866 6.987 ( -0.056 -14.322 -17.481) 22.599 7.254 ( -2.896 -3.995 -9.979) 11.133 7.494 ( 1.166 -3.867 -4.568) 6.098 7.614 ( 7.300 -1.450 -6.842) 10.110 7.858 ( -4.431 16.250 -5.657) 17.768 7.996 ( 10.777 -7.369 -1.689) 13.164 8.211 ( -3.069 2.714 -2.416) 4.757 8.325 ( -8.228 12.294 -9.604) 17.637 8.451 ( -2.608 3.255 2.224) 4.727 8.555 ( 1.109 2.581 5.602) 6.267 8.846 ( 4.279 8.045 6.524) 11.206 9.016 ( 3.867 4.240 16.061) 17.055 9.178 ( -9.068 -0.762 -15.148) 17.671 9.345 ( 13.125 0.836 -9.166) 16.031 9.528 ( -9.671 7.791 -10.337) 16.158 9.976 ( -3.842 -14.875 1.251) 15.414 10.136 ( -0.882 1.665 4.126) 4.536 10.222 ( 5.538 -1.721 1.542) 6.001 10.658 ( -2.927 -5.908 -4.590) 8.034 10.811 ( -1.025 -1.519 -0.243) 1.848 10.980 ( 5.503 7.653 -4.760) 10.560 11.073 ( 7.188 4.692 -5.821) 10.371 11.145 ( -6.998 5.381 -0.821) 8.866 11.463 ( 0.917 -8.238 7.199) 10.979 11.586 ( -1.346 -0.721 4.498) 4.750 11.684 ( 0.134 4.415 4.775) 6.505 12.516 ( -2.743 -3.717 3.247) 5.646 12.624 ( 2.438 3.945 2.500) 5.268 12.940 ( 1.271 -0.302 -1.569) 2.042 13.021 ( -2.350 6.832 -0.237) 7.229 13.419 ( 0.387 1.689 -1.104) 2.054 13.620 ( 0.147 -0.313 5.015) 5.026 14.273 ( 4.115 -11.401 2.946) 12.473 14.324 ( 1.089 -8.300 4.377) 9.447 14.574 ( -6.059 -6.037 1.243) 8.643 14.795 ( -0.160 6.714 0.857) 6.770 15.433 ( 0.433 6.413 -5.518) 8.471 15.669 ( 0.554 5.772 -7.710) 9.647 19.155 ( -7.042 -22.887 9.379) 25.717 19.515 ( 23.616 -5.937 -6.148) 25.115 19.831 ( -9.563 -2.338 -10.439) 14.349 19.971 ( -5.734 -0.026 1.605) 5.955 20.252 ( 3.365 0.009 2.011) 3.920 20.350 ( -9.064 5.647 0.996) 10.725 20.608 ( 6.854 24.021 -12.309) 27.848 21.316 ( -3.447 1.688 1.373) 4.076 21.519 ( 3.134 8.218 12.054) 14.921 22.284 ( 0.084 0.770 -2.221) 2.353 22.599 ( 0.033 -0.084 -0.266) 0.281 23.127 ( -2.203 -13.433 4.179) 14.239 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 16.643 24.446 18.660) 34.969 2.144 ( 16.752 21.868 34.062) 43.807 3.007 ( 11.296 29.450 47.260) 56.819 4.087 ( -16.433 -14.613 -7.163) 23.127 4.178 ( -12.639 -8.508 -5.986) 16.369 4.915 ( 14.927 7.239 7.613) 18.253 5.843 ( 5.834 -12.096 -5.798) 14.628 6.167 ( -8.892 -9.982 3.567) 13.836 6.237 ( -3.599 -1.913 4.273) 5.905 6.436 ( -9.549 -14.755 0.835) 17.595 6.757 ( 2.779 2.875 -4.892) 6.318 7.078 ( -3.998 1.275 -6.941) 8.111 7.450 ( 3.200 -4.317 -1.619) 5.612 7.594 ( 4.381 -3.538 -8.794) 10.442 7.908 ( 1.186 9.621 -4.158) 10.548 8.066 ( 6.594 -2.285 -8.660) 11.122 8.124 ( -7.997 8.999 -2.492) 12.293 8.160 ( 3.743 -1.902 -12.003) 12.716 8.453 ( -5.415 5.033 -0.833) 7.440 8.670 ( 0.279 -0.332 6.742) 6.756 8.862 ( -7.386 9.400 -5.847) 13.308 9.174 ( 2.227 6.369 -9.648) 11.774 9.204 ( 4.901 2.533 8.683) 10.287 9.396 ( 7.233 8.794 -1.759) 11.522 9.469 ( -1.095 -4.157 7.754) 8.866 9.831 ( -0.729 -13.023 3.545) 13.517 10.116 ( -6.519 -5.560 -5.067) 9.954 10.202 ( 0.573 1.665 5.031) 5.330 10.591 ( -3.105 1.844 -2.483) 4.382 10.773 ( 0.994 -4.756 1.133) 4.989 11.030 ( -1.037 4.999 -3.275) 6.065 11.135 ( -0.604 8.007 -1.286) 8.132 11.181 ( 13.717 -0.197 -4.524) 14.445 11.465 ( 3.774 -5.005 -1.524) 6.451 11.624 ( -2.934 3.457 2.033) 4.969 11.766 ( 3.486 2.816 0.490) 4.507 12.502 ( -2.258 -3.629 4.714) 6.364 12.706 ( 0.648 1.796 3.282) 3.797 12.954 ( 3.288 -1.169 -0.964) 3.620 13.035 ( -2.531 5.604 -0.130) 6.151 13.436 ( -0.452 2.829 0.278) 2.878 13.690 ( 0.862 0.209 4.964) 5.042 14.227 ( -2.842 -8.253 2.933) 9.208 14.299 ( -3.747 -8.160 5.776) 10.677 14.480 ( 0.593 -6.374 -1.606) 6.600 14.781 ( -7.356 4.277 0.698) 8.538 15.468 ( 6.979 0.120 -5.376) 8.811 15.663 ( 2.419 6.999 -5.205) 9.051 18.982 ( -5.153 -11.190 2.563) 12.584 19.525 ( -9.352 -2.336 -11.011) 14.635 19.697 ( 18.695 -7.390 -7.420) 21.428 19.921 ( -3.655 1.190 0.428) 3.868 20.328 ( -4.895 7.792 2.725) 9.597 20.340 ( 3.191 -0.522 4.247) 5.337 20.764 ( 5.663 11.452 -3.617) 13.278 21.220 ( -10.029 -0.789 1.003) 10.110 21.856 ( 9.596 9.884 11.317) 17.828 22.268 ( 0.653 1.597 -2.873) 3.351 22.596 ( -0.031 0.036 -0.187) 0.193 22.976 ( -6.704 -12.152 1.689) 13.981 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 20.691 22.975 13.801) 33.859 2.872 ( 3.742 24.477 28.481) 37.739 3.524 ( -16.940 -12.689 -9.942) 23.384 3.764 ( -21.129 -14.495 -1.672) 25.677 4.030 ( 23.278 11.124 30.532) 39.973 5.189 ( 3.184 8.341 -0.016) 8.928 5.745 ( 6.987 -14.799 -8.584) 18.481 5.968 ( -7.345 -13.988 1.215) 15.846 6.136 ( -4.804 -5.598 -5.889) 9.439 6.264 ( -1.720 -1.171 3.482) 4.056 6.748 ( -8.918 2.295 2.008) 9.425 7.100 ( 6.713 5.723 3.099) 9.350 7.473 ( 5.473 0.228 -5.202) 7.555 7.518 ( 1.250 -4.993 -0.074) 5.148 7.797 ( -9.345 -4.256 -5.747) 11.767 7.950 ( 2.550 -4.427 -10.243) 11.446 8.110 ( 8.139 4.436 -7.468) 11.903 8.161 ( -1.804 11.756 -9.395) 15.156 8.354 ( -5.226 1.154 -1.817) 5.652 8.724 ( -2.556 4.498 3.664) 6.339 8.839 ( -2.692 6.025 -1.981) 6.890 9.042 ( -10.341 1.426 4.029) 11.190 9.346 ( 5.357 -3.088 -9.051) 10.962 9.463 ( -3.568 -0.583 10.304) 10.920 9.601 ( 1.771 2.322 8.916) 9.382 9.924 ( 11.640 -0.736 5.124) 12.739 9.991 ( -1.345 1.772 0.710) 2.335 10.295 ( 1.407 0.552 4.951) 5.177 10.500 ( -4.989 2.862 -4.667) 7.407 10.776 ( 1.045 -4.542 2.109) 5.116 10.961 ( -5.375 -2.367 -1.071) 5.970 11.182 ( 1.765 4.572 -2.368) 5.442 11.293 ( 13.641 -7.169 -7.310) 17.056 11.476 ( 4.546 4.598 -6.943) 9.487 11.628 ( 0.118 1.041 1.167) 1.568 11.843 ( 3.497 4.383 -0.871) 5.674 12.490 ( -2.331 -1.770 2.363) 3.762 12.757 ( 1.174 -0.488 2.065) 2.425 12.968 ( 2.524 -2.949 -2.430) 4.580 13.046 ( -1.889 2.649 2.693) 4.223 13.456 ( -2.263 3.874 1.683) 4.792 13.731 ( -2.391 -1.637 3.231) 4.340 14.191 ( -0.760 -5.072 2.216) 5.587 14.215 ( -8.491 -1.173 5.743) 10.318 14.419 ( 1.817 -5.504 -3.631) 6.839 14.710 ( -3.922 -1.256 0.430) 4.141 15.503 ( 6.627 2.065 -6.166) 9.285 15.712 ( 2.195 3.020 -0.413) 3.756 18.879 ( -2.011 -6.021 0.655) 6.382 19.271 ( -3.547 -6.462 -8.785) 11.468 19.782 ( 11.303 -1.689 -7.343) 13.584 19.899 ( -1.851 4.559 -1.412) 5.119 20.373 ( -2.860 3.608 4.471) 6.417 20.436 ( 2.276 0.600 5.712) 6.178 20.862 ( 2.577 -0.998 0.164) 2.768 21.080 ( -9.787 5.809 -0.425) 11.389 22.172 ( 6.115 5.226 7.755) 11.173 22.268 ( 2.110 4.025 -2.356) 5.119 22.597 ( 0.123 0.264 0.018) 0.292 22.795 ( -6.062 -10.166 0.196) 11.838 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -14.209 -8.403 -8.433) 18.537 2.967 ( 13.457 12.357 5.170) 18.987 3.211 ( -28.440 -19.885 -2.370) 34.783 3.535 ( 0.515 22.734 22.764) 32.176 4.730 ( 17.903 -1.038 16.442) 24.330 5.066 ( -16.637 2.422 -11.842) 20.564 5.613 ( 7.807 -10.495 -9.919) 16.416 5.773 ( -3.929 -10.546 0.253) 11.257 6.020 ( 3.858 -4.353 -5.060) 7.710 6.327 ( -1.320 11.457 1.132) 11.588 6.697 ( -3.135 2.217 2.731) 4.712 7.285 ( -0.162 2.662 4.222) 4.994 7.398 ( 4.331 -6.296 -5.925) 9.670 7.548 ( -0.911 -9.159 -2.501) 9.538 7.674 ( 3.773 3.965 8.502) 10.112 7.883 ( 6.074 -3.761 -5.087) 8.770 7.991 ( -6.231 6.984 -10.136) 13.797 8.225 ( 8.361 2.153 -2.259) 8.925 8.387 ( 2.699 5.981 2.897) 7.173 8.773 ( -0.458 4.158 -1.426) 4.420 8.777 ( -7.795 6.472 1.024) 10.183 9.024 ( -10.048 1.945 12.463) 16.127 9.242 ( -1.534 -0.574 -6.030) 6.248 9.501 ( 1.650 -8.721 3.426) 9.514 9.711 ( -1.590 0.606 9.038) 9.196 10.072 ( -2.045 6.641 3.245) 7.669 10.167 ( 7.632 1.652 5.970) 9.830 10.303 ( -2.023 2.566 -3.566) 4.837 10.426 ( -1.047 -1.346 -0.639) 1.821 10.780 ( -0.860 -1.211 1.458) 2.081 10.867 ( -1.584 -1.225 0.564) 2.080 11.184 ( 0.636 -0.650 -3.619) 3.731 11.296 ( 12.103 -9.203 -9.266) 17.805 11.473 ( 0.540 4.539 -5.735) 7.333 11.676 ( 3.380 -0.343 0.073) 3.398 11.921 ( 1.664 4.977 0.184) 5.251 12.465 ( -1.385 0.084 -0.539) 1.489 12.772 ( 2.735 -5.463 -1.059) 6.201 12.920 ( -1.420 -1.639 -1.661) 2.731 13.104 ( 2.185 1.031 3.625) 4.356 13.458 ( -5.081 4.321 0.301) 6.677 13.704 ( -1.580 -3.329 3.636) 5.177 14.059 ( -10.802 -2.976 3.243) 11.664 14.227 ( -0.884 -4.049 -1.004) 4.264 14.407 ( 4.285 6.919 -2.976) 8.665 14.677 ( 0.886 -5.196 2.396) 5.789 15.549 ( 5.342 3.525 -4.561) 7.859 15.745 ( 0.258 -0.807 0.955) 1.276 18.830 ( 0.214 -1.254 -2.226) 2.564 19.118 ( 2.594 -10.168 -3.007) 10.916 19.841 ( 7.639 1.391 -4.821) 9.140 19.906 ( -0.615 8.390 -3.502) 9.112 20.387 ( -3.360 0.781 2.143) 4.061 20.560 ( 1.298 1.926 8.337) 8.654 20.762 ( -4.356 -15.375 0.643) 15.993 21.103 ( -2.715 15.825 0.838) 16.078 22.220 ( -0.645 1.077 -3.309) 3.539 22.364 ( 0.059 -1.839 3.174) 3.669 22.575 ( -0.755 -3.622 -0.932) 3.816 22.714 ( 0.507 2.625 1.747) 3.194 ======================= Grid point 14 (10/90) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -26.681 -13.778 -14.728) 33.446 2.552 ( -34.135 -23.620 0.496) 41.513 3.495 ( 21.270 13.862 5.849) 26.053 3.961 ( -5.059 19.502 16.063) 25.767 4.380 ( -37.956 -0.358 -19.622) 42.730 4.937 ( 4.089 -15.337 -1.810) 15.976 5.565 ( 11.648 -13.543 -3.290) 18.164 5.819 ( 7.946 7.974 -1.316) 11.333 6.050 ( 8.400 -2.581 -0.207) 8.790 6.361 ( -2.769 14.180 -10.650) 17.949 6.777 ( 4.041 4.365 6.725) 8.979 7.167 ( -7.659 -8.771 2.976) 12.019 7.431 ( 4.412 -7.242 3.654) 9.234 7.532 ( 10.130 -6.518 -1.019) 12.089 7.816 ( -4.785 -1.601 5.953) 7.804 7.906 ( 3.180 8.853 -3.165) 9.925 8.068 ( 16.453 7.500 -0.860) 18.102 8.322 ( 1.364 3.469 3.594) 5.178 8.543 ( 5.357 1.421 3.432) 6.519 8.687 ( -7.831 5.126 -1.045) 9.418 8.836 ( 3.116 3.460 -1.297) 4.834 9.017 ( -12.060 1.406 10.052) 15.763 9.207 ( -1.553 4.664 1.549) 5.154 9.466 ( 4.760 -12.471 0.086) 13.349 9.814 ( 0.303 -0.844 9.135) 9.179 9.995 ( -11.074 6.795 -5.023) 13.929 10.163 ( -10.366 -7.208 9.076) 15.549 10.331 ( -2.866 2.883 -3.588) 5.422 10.437 ( 6.743 1.478 -0.624) 6.931 10.775 ( 1.005 0.733 -0.640) 1.399 10.919 ( 2.144 3.163 1.499) 4.105 11.121 ( 0.434 -3.963 -2.928) 4.946 11.289 ( 8.305 -7.264 -5.642) 12.392 11.443 ( -0.428 3.479 -4.648) 5.821 11.701 ( 2.314 -1.144 -1.700) 3.091 11.942 ( -3.483 0.673 0.248) 3.556 12.446 ( -0.704 1.474 -0.973) 1.901 12.713 ( -0.537 -5.486 -1.992) 5.861 12.896 ( 1.519 -1.215 -0.733) 2.078 13.205 ( 4.793 0.956 2.732) 5.599 13.380 ( -7.116 2.912 -2.446) 8.069 13.732 ( -0.652 -4.032 6.262) 7.476 13.958 ( -4.402 2.436 0.195) 5.035 14.127 ( -0.866 -5.604 -3.128) 6.476 14.518 ( 4.128 9.815 -3.853) 11.323 14.703 ( 1.997 -4.853 5.091) 7.312 15.604 ( 3.710 4.567 -3.024) 6.616 15.730 ( -0.892 -4.006 1.308) 4.307 18.793 ( 2.189 1.000 -6.855) 7.265 19.119 ( 7.744 -10.690 5.161) 14.173 19.912 ( 2.814 4.947 -1.483) 5.882 19.939 ( 3.894 8.989 -6.071) 11.525 20.343 ( -5.461 0.634 0.115) 5.499 20.565 ( -5.158 -14.060 0.967) 15.008 20.704 ( 2.259 -1.009 9.650) 9.962 21.218 ( -1.974 14.075 1.933) 14.344 22.096 ( -7.859 -5.117 -4.889) 10.576 22.325 ( -1.716 -3.527 1.636) 4.250 22.560 ( 1.378 -0.248 -0.650) 1.543 22.807 ( 3.335 5.443 -0.109) 6.384 ======================= Grid point 15 (11/90) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -32.641 -2.825 -6.954) 33.493 1.855 ( -38.101 -24.824 5.421) 45.796 3.246 ( -58.550 -1.805 -25.106) 63.731 3.933 ( 18.473 8.027 1.318) 20.185 4.350 ( -1.208 11.872 12.258) 17.107 4.753 ( -0.071 -13.767 -8.209) 16.029 5.682 ( 14.294 -6.758 4.911) 16.556 5.956 ( 7.845 6.494 -4.638) 11.191 6.146 ( 6.045 -3.115 -0.868) 6.855 6.291 ( 0.135 10.843 -11.810) 16.034 7.021 ( 10.647 2.333 7.990) 13.514 7.109 ( 2.558 -5.557 4.874) 7.822 7.477 ( 3.765 -2.553 0.220) 4.554 7.671 ( 9.330 -4.486 8.123) 13.159 7.823 ( -3.108 -4.017 9.100) 10.422 7.949 ( 4.441 7.727 -9.210) 12.816 8.274 ( 0.915 5.219 -0.915) 5.377 8.420 ( -7.393 10.680 1.721) 13.103 8.585 ( -0.519 -7.320 -0.667) 7.369 8.683 ( 8.973 5.376 3.952) 11.182 8.852 ( 3.162 -2.918 -6.032) 7.409 8.933 ( -11.681 -1.687 5.716) 13.114 9.249 ( -9.233 5.709 5.884) 12.348 9.483 ( 8.992 -9.743 1.822) 13.383 9.847 ( -4.764 7.986 -7.625) 12.025 9.900 ( 2.275 -3.541 5.082) 6.599 10.138 ( -4.710 -1.078 11.339) 12.326 10.215 ( -6.388 -1.048 -1.138) 6.573 10.541 ( 6.346 -0.237 0.654) 6.385 10.769 ( 1.066 2.661 -5.387) 6.102 10.958 ( -0.948 1.855 -0.277) 2.102 11.082 ( -1.184 -2.418 1.241) 2.965 11.270 ( 2.136 -5.272 -1.007) 5.776 11.418 ( -0.917 4.050 -2.590) 4.894 11.678 ( -0.847 -2.565 -2.130) 3.440 11.826 ( -8.079 -2.523 -3.625) 9.208 12.450 ( 0.053 1.310 0.224) 1.330 12.658 ( -1.036 -1.386 0.331) 1.762 12.913 ( 2.788 -1.311 -0.150) 3.084 13.253 ( -8.647 0.462 0.466) 8.671 13.316 ( 6.258 1.743 -2.229) 6.868 13.704 ( -7.004 -2.814 3.318) 8.245 14.001 ( 6.320 1.412 0.714) 6.515 14.090 ( 4.180 -1.192 -1.193) 4.508 14.568 ( 1.976 3.864 -4.866) 6.520 14.758 ( 0.240 -0.577 3.986) 4.035 15.641 ( 0.316 2.620 -1.759) 3.172 15.720 ( 1.937 -2.969 2.562) 4.374 18.751 ( 3.686 0.070 -7.640) 8.484 19.271 ( 10.126 -6.393 9.610) 15.354 19.954 ( -2.043 12.225 -3.403) 12.853 20.019 ( 8.567 1.112 -5.822) 10.418 20.247 ( -7.364 -3.034 2.658) 8.396 20.415 ( -1.576 -9.147 -1.176) 9.356 20.852 ( 1.550 0.119 10.896) 11.007 21.306 ( -1.844 10.032 -0.612) 10.218 21.845 ( -13.351 -6.615 -0.288) 14.903 22.310 ( -0.207 -0.628 0.262) 0.712 22.573 ( 1.410 0.182 -0.777) 1.620 22.862 ( 3.107 2.556 -4.617) 6.124 ======================= Grid point 16 (12/90) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -37.362 20.095 14.770) 44.920 1.199 ( -40.847 -20.356 15.179) 48.096 2.034 ( -67.767 1.120 -17.284) 69.945 4.204 ( 13.486 2.342 -2.843) 13.980 4.425 ( -0.269 -5.248 -0.976) 5.345 4.663 ( -0.886 2.903 3.201) 4.411 5.940 ( 12.734 -1.607 8.213) 15.238 6.046 ( 5.135 4.745 -4.901) 8.538 6.172 ( 7.036 -6.604 -0.416) 9.658 6.276 ( 2.264 4.165 -4.459) 6.508 7.188 ( 12.781 -8.683 0.425) 15.457 7.260 ( 5.913 6.622 -2.531) 9.231 7.536 ( 4.776 4.059 -0.281) 6.274 7.794 ( -4.437 -3.670 6.398) 8.607 7.912 ( 4.592 -2.703 4.572) 7.021 7.977 ( 3.192 3.803 1.129) 5.092 8.250 ( -2.243 2.544 -3.775) 5.075 8.380 ( -6.254 1.821 -4.778) 8.079 8.412 ( -4.535 -3.742 1.293) 6.020 8.728 ( -1.893 -6.993 -6.516) 9.744 8.778 ( -8.703 3.873 -1.407) 9.629 9.011 ( 4.890 3.354 6.588) 8.864 9.169 ( -10.990 0.113 8.230) 13.731 9.592 ( 9.200 0.189 -0.335) 9.208 9.751 ( 5.266 -7.366 -12.077) 15.095 10.004 ( 3.082 9.491 -1.897) 10.157 10.091 ( -4.367 -0.823 0.418) 4.463 10.245 ( 0.434 -2.176 7.114) 7.452 10.640 ( 6.507 -1.014 -0.501) 6.605 10.747 ( 5.100 2.314 -7.601) 9.442 10.960 ( -1.293 -4.102 7.012) 8.226 11.067 ( -0.997 -0.781 2.391) 2.706 11.270 ( -6.526 4.987 7.752) 11.294 11.379 ( -3.817 0.463 -6.724) 7.746 11.570 ( -7.163 -2.976 0.372) 7.766 11.645 ( -7.848 0.629 -1.437) 8.003 12.458 ( 0.939 -0.150 -0.914) 1.319 12.672 ( 1.747 -0.214 0.934) 1.993 12.945 ( 1.363 0.963 0.402) 1.716 13.118 ( -8.040 -0.243 -2.060) 8.303 13.391 ( 4.189 -0.247 0.182) 4.200 13.611 ( -6.010 -0.108 0.728) 6.055 14.143 ( 9.016 1.174 2.296) 9.377 14.179 ( 7.402 -1.139 1.641) 7.667 14.523 ( -1.519 -0.239 -4.732) 4.975 14.776 ( -1.538 0.159 0.350) 1.585 15.638 ( 0.225 0.536 -0.888) 1.061 15.778 ( 2.716 -0.359 1.079) 2.945 18.733 ( 2.570 -0.015 -0.446) 2.608 19.519 ( 10.139 -0.570 10.540) 14.636 19.964 ( -0.032 -3.071 -7.022) 7.664 19.992 ( -1.970 6.511 -2.912) 7.400 20.214 ( 1.501 -3.721 2.222) 4.587 20.334 ( -2.223 0.280 -1.631) 2.772 21.004 ( 4.025 0.126 4.907) 6.348 21.286 ( -0.783 0.248 -6.264) 6.317 21.645 ( -14.995 0.209 4.542) 15.669 22.307 ( -0.058 0.005 0.070) 0.091 22.586 ( 1.171 -0.003 -0.032) 1.171 22.839 ( 2.015 -0.078 -3.818) 4.317 ======================= Grid point 18 (13/90) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -11.646 11.859 28.209) 32.741 1.784 ( -6.370 11.042 36.332) 38.503 3.313 ( -21.118 42.623 41.986) 63.447 4.194 ( 11.509 -2.694 -10.553) 15.845 4.326 ( 18.291 -4.591 2.092) 18.974 4.675 ( -16.517 -6.789 2.603) 18.047 5.739 ( 0.121 -15.783 -2.484) 15.978 6.213 ( 4.948 -4.595 5.815) 8.911 6.302 ( 2.922 -8.745 4.053) 10.072 6.570 ( 5.710 3.181 -7.821) 10.192 6.797 ( -12.853 -4.945 3.197) 14.137 6.984 ( 14.468 -0.260 -11.963) 18.775 7.446 ( -2.188 -6.249 -0.262) 6.626 7.513 ( -3.574 3.093 -8.947) 10.119 7.763 ( 3.815 -13.435 -0.505) 13.975 7.980 ( -6.424 10.522 -7.116) 14.235 8.214 ( 7.681 4.567 -11.902) 14.883 8.282 ( -3.807 2.484 -9.174) 10.239 8.475 ( 0.404 2.682 -4.224) 5.020 8.644 ( 1.585 5.138 5.868) 7.959 8.925 ( 2.773 12.661 0.912) 12.994 9.099 ( 3.940 -0.048 -5.321) 6.621 9.224 ( -5.061 1.171 12.857) 13.866 9.331 ( -5.760 4.257 5.118) 8.803 9.521 ( -2.510 0.698 -9.719) 10.062 9.849 ( 0.271 -15.030 -3.927) 15.537 10.094 ( 8.035 -0.806 4.030) 9.025 10.262 ( -2.338 3.534 5.170) 6.684 10.598 ( 1.467 0.193 -3.839) 4.114 10.820 ( -2.225 -1.321 -0.541) 2.644 10.952 ( 0.217 6.639 -4.046) 7.777 11.004 ( -2.223 0.285 -2.099) 3.071 11.276 ( -7.686 -2.924 2.653) 8.640 11.505 ( -3.043 2.725 -0.396) 4.104 11.558 ( 3.663 -1.223 -0.116) 3.863 11.793 ( -3.196 3.893 -0.107) 5.038 12.576 ( -1.845 -4.687 6.925) 8.563 12.650 ( 2.179 3.547 2.088) 4.657 12.898 ( -0.125 -1.313 -2.779) 3.077 13.123 ( -1.670 8.350 0.085) 8.516 13.418 ( 0.677 2.312 -0.459) 2.453 13.671 ( 0.270 -2.433 5.292) 5.831 14.131 ( 5.224 -11.152 2.326) 12.532 14.257 ( 4.383 -8.705 4.306) 10.655 14.617 ( -5.030 -5.201 -0.622) 7.262 14.809 ( 8.790 7.562 2.629) 11.890 15.473 ( -8.405 0.805 -5.281) 9.959 15.632 ( -0.986 5.774 -6.220) 8.544 19.131 ( 5.615 -7.869 -9.823) 13.782 19.156 ( 3.747 -13.018 10.925) 17.403 19.779 ( -7.230 -2.762 -12.635) 14.817 20.027 ( -0.390 7.104 -6.455) 9.606 20.283 ( -0.835 -1.950 9.467) 9.702 20.496 ( -4.964 -0.662 2.050) 5.411 20.597 ( 3.892 12.252 -3.683) 13.372 21.311 ( 6.963 5.306 -0.461) 8.766 21.794 ( -8.836 5.888 12.476) 16.383 22.262 ( -0.241 0.976 -2.806) 2.981 22.593 ( 0.265 -0.377 -0.180) 0.495 23.043 ( 4.094 -7.477 0.063) 8.525 ======================= Grid point 19 (14/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 4.601 16.773 24.300) 29.883 2.446 ( 16.097 15.209 37.270) 43.353 3.861 ( -12.608 31.986 30.397) 45.892 4.119 ( -6.723 -13.648 -5.496) 16.176 4.173 ( -11.367 -0.840 -5.988) 12.875 4.832 ( 16.455 0.872 13.935) 21.580 5.566 ( 2.183 -17.608 -5.756) 18.653 6.151 ( -3.714 -18.326 0.024) 18.698 6.257 ( -4.187 -11.934 -17.756) 21.800 6.343 ( -0.500 -2.769 6.739) 7.303 6.891 ( 1.220 12.068 4.052) 12.788 7.029 ( 1.381 -3.722 0.946) 4.081 7.378 ( 0.368 2.669 -14.510) 14.758 7.455 ( -0.469 -3.066 11.167) 11.590 7.723 ( 7.934 -9.936 -8.492) 15.290 7.880 ( 1.360 9.514 -14.094) 17.059 8.090 ( -4.856 0.569 -8.496) 9.802 8.219 ( 0.860 6.267 -3.546) 7.252 8.469 ( 2.050 4.732 -5.052) 7.219 8.808 ( -2.548 6.372 3.092) 7.527 9.017 ( -7.630 7.586 2.294) 11.001 9.100 ( 2.751 8.612 -10.048) 13.517 9.153 ( -2.161 12.419 -1.702) 12.720 9.507 ( 5.497 -7.699 10.696) 14.279 9.562 ( 6.799 -3.531 12.258) 14.455 9.766 ( -0.923 -4.230 6.362) 7.695 10.110 ( -7.539 -6.391 -1.320) 9.971 10.285 ( 0.473 0.341 6.298) 6.325 10.615 ( 2.434 3.457 -1.155) 4.382 10.730 ( -4.139 -0.700 -4.170) 5.917 10.951 ( 3.844 2.083 -8.705) 9.741 11.015 ( 4.069 3.825 -2.126) 5.976 11.193 ( -1.867 -3.055 0.735) 3.655 11.398 ( -5.022 -3.170 -3.646) 6.969 11.641 ( 3.056 1.375 -0.353) 3.369 11.763 ( -0.858 3.421 -2.844) 4.531 12.576 ( -3.050 -1.850 4.521) 5.759 12.704 ( 1.389 -2.290 0.024) 2.679 12.911 ( 3.585 3.351 -1.175) 5.046 13.145 ( -4.217 4.446 1.572) 6.326 13.477 ( 1.070 7.733 0.216) 7.810 13.727 ( 1.780 -4.732 6.704) 8.397 14.143 ( 4.947 -11.624 2.884) 12.958 14.287 ( 2.617 -8.536 3.813) 9.708 14.465 ( -6.834 -7.787 -0.014) 10.361 14.953 ( -3.716 7.169 1.971) 8.312 15.313 ( 0.462 -1.049 -8.084) 8.165 15.639 ( 2.056 7.628 -3.498) 8.640 18.948 ( -1.838 -8.850 -3.718) 9.774 19.283 ( 8.318 -14.545 -1.383) 16.813 19.512 ( -2.630 2.085 -10.496) 11.019 19.998 ( -3.183 6.897 -3.450) 8.342 20.369 ( 0.612 -3.553 9.262) 9.939 20.470 ( -1.696 7.576 -0.081) 7.764 20.765 ( 4.169 6.663 2.366) 8.208 21.326 ( -4.477 1.307 -3.164) 5.636 21.984 ( 3.301 8.367 12.706) 15.568 22.243 ( 0.287 2.374 -2.670) 3.584 22.592 ( 0.272 -0.167 -0.116) 0.340 22.954 ( -3.075 -10.345 -1.534) 10.901 ======================= Grid point 20 (15/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 11.233 17.981 17.294) 27.360 3.240 ( 13.668 13.644 29.796) 35.507 3.591 ( -19.241 -10.234 -8.937) 23.554 3.892 ( -13.634 -10.794 -3.517) 17.742 4.426 ( -4.957 22.985 27.021) 35.819 5.175 ( 7.267 0.886 4.662) 8.679 5.389 ( 7.198 -17.224 -6.887) 19.897 5.911 ( -2.899 -16.915 -3.274) 17.471 5.958 ( -1.702 -7.626 -11.292) 13.731 6.386 ( -2.087 1.852 4.829) 5.578 6.947 ( -11.729 -0.308 1.137) 11.788 7.053 ( 8.711 3.294 0.098) 9.313 7.279 ( 7.417 -0.712 -9.918) 12.405 7.558 ( 0.578 -4.650 -1.866) 5.044 7.653 ( 3.348 5.501 -0.335) 6.449 7.805 ( 1.349 -2.322 -12.927) 13.203 7.930 ( -2.483 2.007 -2.709) 4.187 8.283 ( -2.327 3.365 4.326) 5.954 8.513 ( -5.955 11.092 -1.980) 12.744 8.715 ( 0.656 1.625 -7.213) 7.422 8.944 ( -3.196 5.568 -4.609) 7.903 9.154 ( -0.254 9.007 5.983) 10.816 9.322 ( -1.848 1.873 6.537) 7.047 9.621 ( 2.397 0.871 5.302) 5.883 9.747 ( -8.310 1.360 3.743) 9.215 9.771 ( 7.537 -3.938 4.421) 9.584 10.060 ( 2.611 -1.193 12.800) 13.118 10.392 ( -0.057 0.683 8.692) 8.719 10.575 ( -8.850 5.000 -5.194) 11.415 10.686 ( 7.669 -5.061 -1.709) 9.346 10.910 ( 6.513 -2.476 -10.132) 12.297 11.022 ( -1.817 -3.956 -1.029) 4.473 11.196 ( 0.122 1.400 -2.430) 2.807 11.289 ( 7.709 -0.917 -8.337) 11.392 11.615 ( -1.439 -0.498 -3.586) 3.896 11.807 ( 4.136 4.814 -1.688) 6.567 12.536 ( -3.693 0.288 -1.144) 3.876 12.704 ( 3.411 -5.213 -0.710) 6.270 12.966 ( 0.496 2.180 -0.208) 2.246 13.134 ( -4.915 3.428 2.839) 6.631 13.548 ( -1.190 5.748 1.928) 6.178 13.796 ( -0.662 -3.523 6.697) 7.596 14.150 ( 3.303 -8.676 3.213) 9.824 14.247 ( -0.653 -9.107 -1.061) 9.192 14.359 ( -0.256 -4.883 1.882) 5.240 14.851 ( -13.632 4.143 -1.322) 14.308 15.322 ( 9.702 2.297 -6.353) 11.823 15.706 ( 2.286 4.127 -0.191) 4.721 18.835 ( -0.091 -5.314 -3.312) 6.262 19.108 ( -1.165 -12.592 -7.265) 14.584 19.538 ( 9.322 1.564 -4.553) 10.491 19.977 ( -3.324 8.042 -2.310) 9.003 20.479 ( 2.949 0.541 6.397) 7.065 20.517 ( -3.283 2.691 5.252) 6.753 20.855 ( -0.302 -1.610 2.827) 3.267 21.214 ( -5.183 5.487 -4.526) 8.801 22.209 ( 1.794 2.919 1.731) 3.838 22.278 ( 3.171 5.795 4.547) 8.020 22.594 ( 0.115 -0.191 -0.130) 0.258 22.791 ( -4.489 -8.829 -0.934) 9.948 ======================= Grid point 21 (16/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 5.513 10.577 8.361) 14.566 3.019 ( -18.119 -3.073 -4.019) 18.812 3.449 ( -25.226 -14.169 -0.016) 28.933 3.938 ( 8.226 12.389 23.835) 28.094 4.772 ( 0.139 5.182 11.802) 12.891 5.107 ( -2.047 -7.842 -7.274) 10.890 5.337 ( 0.486 -3.106 -6.328) 7.066 5.729 ( -1.437 -6.791 -5.067) 8.594 5.824 ( 5.298 -6.380 -3.818) 9.129 6.425 ( -1.368 7.693 -2.063) 8.082 6.793 ( -6.932 2.481 -3.451) 8.131 7.184 ( 10.058 -7.475 1.063) 12.577 7.299 ( 6.381 -5.192 -0.170) 8.228 7.490 ( -0.307 0.095 -6.570) 6.578 7.627 ( 1.706 -0.072 -5.254) 5.524 7.807 ( 0.858 9.641 3.670) 10.352 7.970 ( 4.603 -4.783 0.758) 6.681 8.256 ( -7.506 8.788 -0.144) 11.558 8.453 ( -1.362 -0.961 4.670) 4.959 8.786 ( 2.625 8.269 -1.657) 8.833 8.912 ( -2.399 5.234 -3.159) 6.567 9.264 ( -3.143 2.551 5.017) 6.446 9.317 ( -7.399 0.437 7.283) 10.391 9.508 ( -10.241 -3.606 2.422) 11.124 9.828 ( -0.695 -0.388 7.324) 7.367 10.002 ( 16.371 6.508 0.390) 17.621 10.263 ( 1.766 -2.099 13.367) 13.646 10.398 ( -11.174 7.006 -6.816) 14.846 10.461 ( -3.537 -4.004 6.286) 8.249 10.762 ( 5.174 -2.296 2.583) 6.222 10.873 ( 10.577 -4.196 -10.168) 15.260 10.921 ( -2.269 -4.060 -2.105) 5.105 11.140 ( 0.607 1.814 -4.896) 5.257 11.375 ( 10.372 3.131 -7.705) 13.295 11.562 ( 2.833 -3.008 -3.176) 5.212 11.881 ( 4.450 3.292 -2.961) 6.277 12.483 ( -1.815 1.153 -1.130) 2.429 12.687 ( 1.961 -4.759 -1.201) 5.286 12.950 ( -1.869 -0.464 -1.489) 2.434 13.133 ( -3.477 2.641 2.879) 5.230 13.587 ( -3.545 3.298 2.936) 5.663 13.767 ( -5.598 -5.412 4.763) 9.127 14.140 ( 0.795 -8.628 -3.078) 9.195 14.175 ( -1.641 -4.205 4.572) 6.425 14.385 ( 3.889 1.351 -0.616) 4.163 14.705 ( -6.788 3.256 -0.560) 7.549 15.421 ( 8.560 3.759 -4.300) 10.290 15.745 ( 0.209 -0.174 0.387) 0.473 18.757 ( 0.917 -2.553 -6.114) 6.689 18.969 ( 2.404 -10.041 0.259) 10.329 19.634 ( 10.174 1.628 -5.388) 11.627 19.983 ( -2.481 10.800 -2.846) 11.441 20.515 ( -4.692 -0.351 3.685) 5.976 20.601 ( 0.857 -5.100 7.184) 8.852 20.791 ( -5.802 -5.454 4.221) 9.013 21.216 ( 1.316 11.725 -4.054) 12.476 22.219 ( -1.324 3.137 -1.569) 3.749 22.389 ( -0.600 -2.630 3.245) 4.220 22.556 ( -1.875 -2.991 -0.638) 3.587 22.731 ( 1.409 1.070 0.507) 1.841 ======================= Grid point 22 (17/90) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -32.426 1.724 0.645) 32.478 2.911 ( -33.336 -17.324 5.131) 37.917 3.367 ( 17.749 10.101 2.781) 20.610 4.331 ( 4.906 2.717 12.056) 13.296 4.664 ( -27.898 -1.328 -8.167) 29.099 4.841 ( -14.796 -1.258 -3.778) 15.322 5.253 ( 12.668 -6.894 -3.090) 14.750 5.705 ( 8.806 1.220 -6.289) 10.889 5.930 ( 8.903 2.361 3.858) 9.986 6.368 ( -4.793 9.539 -11.987) 16.051 6.767 ( 5.022 -2.908 2.699) 6.400 7.169 ( -0.538 -10.673 -6.594) 12.557 7.369 ( 4.172 -3.435 4.569) 7.077 7.438 ( 0.482 -3.893 11.963) 12.589 7.722 ( 11.979 9.274 -10.815) 18.614 7.898 ( 2.535 -5.108 0.188) 5.706 8.025 ( 4.665 8.772 4.283) 10.819 8.370 ( 4.222 11.851 4.238) 13.275 8.514 ( 3.354 -8.793 6.788) 11.604 8.799 ( -5.288 3.688 -3.329) 7.256 8.881 ( -3.338 7.198 -2.860) 8.434 9.205 ( -3.267 -8.533 -0.681) 9.162 9.320 ( -6.253 1.935 6.018) 8.892 9.432 ( -6.491 1.174 7.722) 10.156 9.883 ( -0.324 -2.197 5.255) 5.705 10.151 ( -5.954 2.662 -2.349) 6.932 10.232 ( -2.722 3.397 -8.900) 9.908 10.395 ( -3.101 -1.058 0.360) 3.296 10.414 ( 0.203 -2.934 11.990) 12.346 10.712 ( 1.498 -7.456 -6.188) 9.805 10.914 ( 5.356 3.980 -3.310) 7.449 10.997 ( 6.516 2.580 3.852) 7.996 11.146 ( 3.683 0.903 -1.054) 3.936 11.418 ( 2.331 5.025 -4.152) 6.922 11.574 ( 7.088 -4.190 -3.252) 8.853 11.904 ( 3.242 -2.381 -3.533) 5.353 12.477 ( -1.382 2.033 1.222) 2.745 12.676 ( 0.613 -0.654 0.381) 0.974 12.886 ( -1.850 -1.282 -2.193) 3.142 13.152 ( 1.570 1.525 -0.029) 2.189 13.517 ( -9.950 -0.841 1.040) 10.039 13.766 ( 1.795 -4.148 6.570) 7.974 14.025 ( -1.834 -5.393 -4.610) 7.328 14.143 ( -8.223 2.481 3.991) 9.471 14.438 ( 6.094 -2.609 -2.569) 7.109 14.717 ( 1.023 5.423 1.463) 5.709 15.525 ( 7.029 4.764 -3.008) 9.008 15.719 ( -1.295 -3.929 0.137) 4.139 18.679 ( 1.572 -1.506 -5.841) 6.233 19.017 ( 6.961 -5.794 6.532) 11.167 19.728 ( 10.385 1.618 -6.171) 12.187 20.014 ( -1.941 13.632 -3.631) 14.241 20.465 ( -3.030 -11.047 3.684) 12.033 20.497 ( -8.695 -6.845 1.336) 11.146 20.849 ( -0.570 2.610 10.140) 10.486 21.287 ( 3.001 8.746 -5.728) 10.877 22.176 ( -7.940 1.280 1.501) 8.181 22.329 ( -1.893 -4.607 0.262) 4.987 22.537 ( 0.653 -0.023 -0.288) 0.714 22.777 ( 2.845 1.660 -2.351) 4.047 ======================= Grid point 23 (18/90) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -33.932 14.718 12.063) 38.904 2.347 ( -37.702 -15.882 11.615) 42.528 3.671 ( 12.139 4.504 -6.543) 14.507 3.864 ( -47.548 0.978 -12.125) 49.079 4.328 ( 6.029 -16.831 -11.147) 21.069 4.818 ( -8.946 12.150 13.533) 20.269 5.490 ( 17.708 -1.305 7.477) 19.266 5.793 ( 11.135 1.189 -4.887) 12.218 6.077 ( 2.630 3.779 -1.595) 4.872 6.243 ( -2.927 4.436 -6.974) 8.768 6.861 ( 9.535 -12.740 1.999) 16.038 7.046 ( 3.766 3.538 -5.224) 7.347 7.461 ( 2.542 1.455 4.202) 5.122 7.645 ( 9.740 -0.724 7.934) 12.583 7.808 ( 6.693 3.657 -5.563) 9.440 7.927 ( 1.031 -2.939 7.608) 8.221 8.198 ( 6.103 4.260 -3.591) 8.264 8.484 ( 1.420 -15.868 1.078) 15.968 8.629 ( 5.009 3.172 -2.438) 6.410 8.657 ( -6.662 11.492 2.201) 13.465 8.857 ( -5.644 6.279 -1.280) 8.539 9.068 ( -3.062 -8.613 -0.660) 9.164 9.286 ( -0.004 -4.675 1.699) 4.974 9.481 ( -4.906 1.878 5.016) 7.264 9.869 ( -3.238 -6.120 -0.779) 6.967 10.017 ( -9.116 8.955 -1.521) 12.869 10.123 ( 1.537 -1.686 -5.706) 6.146 10.302 ( -6.251 0.580 -1.711) 6.507 10.547 ( 2.111 -1.939 5.198) 5.936 10.623 ( 4.143 -2.427 -7.128) 8.595 10.968 ( 2.452 3.944 -3.969) 6.109 11.094 ( 1.126 0.054 1.682) 2.025 11.280 ( 3.367 2.151 11.998) 12.646 11.460 ( -0.011 5.139 0.105) 5.140 11.589 ( 4.148 -3.489 -2.741) 6.074 11.845 ( -2.347 -4.498 -1.796) 5.382 12.496 ( -2.436 2.125 2.443) 4.052 12.664 ( -1.620 0.560 -1.798) 2.485 12.876 ( 2.570 0.843 0.939) 2.864 13.197 ( 5.321 2.838 -4.759) 7.682 13.373 ( -8.260 -3.528 1.753) 9.151 13.836 ( -4.212 -4.710 6.509) 9.071 13.927 ( 3.714 -0.808 -2.510) 4.554 14.104 ( -5.013 5.305 1.142) 7.388 14.459 ( 5.568 -6.465 -1.577) 8.676 14.788 ( 0.586 5.741 -1.342) 5.925 15.623 ( 3.293 6.974 -3.360) 8.412 15.676 ( 1.709 -7.137 2.680) 7.813 18.655 ( 2.453 -0.015 -1.522) 2.887 19.214 ( 10.149 -1.133 9.615) 14.026 19.797 ( 9.097 -0.159 -7.976) 12.100 20.063 ( -1.993 14.606 -3.585) 15.171 20.279 ( -4.490 -19.590 3.280) 20.364 20.430 ( -5.406 3.062 1.798) 6.468 20.977 ( -0.840 1.235 8.381) 8.513 21.275 ( 1.982 1.363 -9.575) 9.872 22.065 ( -13.178 0.712 5.329) 14.232 22.306 ( 0.251 0.137 0.226) 0.364 22.547 ( 1.261 -0.101 -0.311) 1.302 22.769 ( 2.501 -0.408 -5.434) 5.995 ======================= Grid point 24 (19/90) ======================= q-point: (-0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -36.918 -12.240 20.603) 44.014 2.019 ( -35.508 19.344 13.919) 42.763 2.948 ( -56.844 13.883 4.322) 58.675 3.917 ( 18.167 0.167 -7.399) 19.616 4.154 ( 10.800 -13.421 -12.651) 21.373 4.939 ( -10.761 8.188 13.088) 18.818 5.844 ( 14.369 -0.293 8.661) 16.780 5.945 ( 12.595 5.945 -2.266) 14.110 6.030 ( -1.388 -9.236 0.527) 9.355 6.215 ( 2.916 2.887 -2.447) 4.778 6.895 ( 11.157 -6.879 -5.963) 14.400 7.154 ( 7.369 5.081 -3.857) 9.746 7.542 ( 0.824 6.405 -1.747) 6.690 7.796 ( 5.632 4.160 -4.956) 8.578 7.845 ( 3.104 -8.560 2.503) 9.444 8.068 ( 0.556 -5.017 11.462) 12.525 8.159 ( -0.817 -1.476 -4.441) 4.750 8.331 ( -0.931 -13.753 -1.406) 13.856 8.529 ( -4.091 6.669 -3.906) 8.745 8.738 ( -2.354 5.557 -5.263) 8.007 8.865 ( -2.255 4.589 1.196) 5.252 8.960 ( -0.248 -7.207 -1.555) 7.377 9.340 ( -5.275 -9.047 0.330) 10.477 9.427 ( 9.608 2.630 2.066) 10.174 9.716 ( -9.250 3.447 -2.223) 10.119 9.979 ( -3.371 7.320 -9.586) 12.524 10.106 ( 4.827 -3.646 -3.841) 7.166 10.205 ( -3.934 1.412 -1.943) 4.609 10.558 ( 4.168 0.269 -2.847) 5.055 10.667 ( 2.557 -0.438 4.556) 5.243 10.973 ( 1.678 -0.601 -1.163) 2.128 11.119 ( -1.425 -0.133 3.102) 3.416 11.425 ( -4.992 -2.484 2.385) 6.064 11.495 ( -2.924 0.569 9.598) 10.049 11.580 ( 0.717 3.865 -1.704) 4.285 11.776 ( -4.119 1.084 2.808) 5.101 12.455 ( -3.310 -0.383 -1.868) 3.820 12.656 ( 0.661 1.215 0.503) 1.471 12.946 ( 1.762 1.595 1.633) 2.883 13.174 ( -3.552 3.725 -6.623) 8.388 13.330 ( 2.773 -4.010 3.885) 6.234 13.733 ( -7.776 -0.008 -0.111) 7.777 14.040 ( 7.851 -3.362 3.697) 9.306 14.128 ( 2.230 2.207 0.909) 3.267 14.463 ( 3.600 -3.734 -0.048) 5.187 14.782 ( -1.395 2.672 -4.117) 5.102 15.630 ( -0.224 1.307 -1.234) 1.811 15.730 ( 3.226 -0.825 0.348) 3.348 18.725 ( 4.501 0.787 4.837) 6.654 19.481 ( 9.394 -0.078 6.151) 11.229 19.781 ( 4.966 -5.196 -4.580) 8.523 20.083 ( -0.258 5.304 -6.160) 8.133 20.167 ( -2.322 -4.023 5.693) 7.348 20.410 ( -4.368 4.838 -0.018) 6.518 21.006 ( -2.387 -1.083 -1.074) 2.833 21.166 ( 1.336 -5.169 -7.967) 9.590 21.927 ( -15.002 2.438 3.547) 15.607 22.320 ( -0.939 0.652 0.854) 1.427 22.575 ( 1.525 -0.257 1.582) 2.212 22.765 ( 5.647 0.988 -1.695) 5.978 ======================= Grid point 26 (20/90) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -22.920 9.718 23.323) 34.113 2.412 ( -12.251 8.881 29.875) 33.488 3.735 ( 21.359 -0.196 -13.788) 25.424 3.970 ( 25.048 -5.082 0.241) 25.560 4.412 ( -18.568 29.704 26.384) 43.854 4.848 ( -10.763 -7.846 1.943) 13.460 5.648 ( -6.770 -14.901 1.012) 16.398 6.050 ( 13.423 -9.085 -6.277) 17.382 6.167 ( 3.213 -7.645 2.951) 8.802 6.476 ( -3.512 -0.107 -5.617) 6.626 6.637 ( 13.647 1.277 -10.529) 17.284 7.058 ( -6.981 5.065 5.738) 10.359 7.418 ( -4.510 -3.881 -6.619) 8.900 7.548 ( -2.341 -1.215 11.701) 11.995 7.694 ( -6.079 -7.522 -2.061) 9.888 7.865 ( 11.142 -2.073 -11.588) 16.209 8.080 ( -10.503 4.145 -12.155) 16.590 8.238 ( 2.114 4.716 -5.065) 7.237 8.405 ( 3.173 7.109 -7.556) 10.849 8.774 ( 1.903 9.690 6.620) 11.889 8.943 ( 8.984 3.446 0.361) 9.629 8.990 ( 9.827 0.985 8.756) 13.199 9.334 ( -0.185 -2.621 -5.378) 5.986 9.412 ( -1.441 -12.137 2.891) 12.559 9.558 ( -8.985 7.542 0.045) 11.730 9.778 ( -5.688 -1.048 1.582) 5.997 10.124 ( 1.294 4.491 7.707) 9.013 10.375 ( -3.216 0.849 2.690) 4.278 10.514 ( 6.327 3.982 -3.582) 8.290 10.805 ( 1.064 -2.538 -1.031) 2.939 10.936 ( 0.694 0.655 -4.274) 4.379 11.063 ( -6.894 -1.593 -0.176) 7.078 11.383 ( -10.216 -9.495 2.319) 14.139 11.513 ( 1.006 2.745 -2.163) 3.637 11.566 ( -2.655 6.481 -2.818) 7.549 11.830 ( -2.407 3.242 -4.270) 5.876 12.608 ( 6.982 1.628 5.354) 8.948 12.716 ( -6.394 -2.421 3.444) 7.656 12.865 ( -2.896 -2.339 -3.310) 4.981 13.169 ( 3.054 4.116 -0.594) 5.159 13.429 ( 1.567 4.167 0.349) 4.465 13.690 ( 0.592 -4.916 4.404) 6.627 14.012 ( 3.316 -8.544 2.095) 9.402 14.190 ( 1.850 -3.153 1.802) 4.076 14.605 ( 1.038 -1.902 -2.586) 3.374 14.756 ( 7.916 1.458 4.498) 9.221 15.534 ( -6.659 3.887 -6.291) 9.952 15.648 ( -3.662 0.453 -1.806) 4.108 18.901 ( 3.560 -5.726 -6.274) 9.210 19.175 ( -1.531 -8.684 8.146) 12.005 19.713 ( -8.133 -2.278 -12.955) 15.465 19.987 ( 2.980 8.545 -5.755) 10.725 20.421 ( -0.207 4.274 5.672) 7.105 20.552 ( -5.571 -9.276 3.532) 11.382 20.606 ( 3.959 4.999 3.932) 7.492 21.227 ( 9.434 7.543 -1.893) 12.227 22.113 ( -10.025 3.440 9.786) 14.426 22.241 ( -0.129 1.160 -2.510) 2.769 22.582 ( 0.228 -0.915 0.117) 0.950 22.894 ( 7.013 -4.478 -3.078) 8.872 ======================= Grid point 27 (21/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -6.473 11.203 24.632) 27.823 2.850 ( 5.198 15.237 32.578) 36.339 3.860 ( 15.096 0.376 -11.494) 18.977 3.992 ( -0.349 -13.945 -12.549) 18.764 4.738 ( -4.005 19.056 21.520) 29.022 4.885 ( -1.767 3.716 18.032) 18.495 5.404 ( -7.449 -15.707 -3.040) 17.648 5.900 ( 2.496 -11.014 -16.184) 19.735 6.127 ( -4.657 -12.923 -1.910) 13.868 6.371 ( 1.916 -4.182 4.958) 6.763 6.751 ( 11.966 2.423 -6.752) 13.952 7.090 ( 0.509 2.905 -2.250) 3.709 7.265 ( -5.558 -1.285 -6.051) 8.316 7.511 ( -0.158 -12.419 -1.029) 12.463 7.685 ( -2.790 7.156 -0.195) 7.683 7.820 ( -10.056 9.546 -6.179) 15.180 7.931 ( 13.537 0.975 -2.753) 13.849 8.282 ( -2.396 6.362 3.897) 7.836 8.418 ( 1.290 4.160 -4.721) 6.423 8.895 ( -2.701 1.813 -0.180) 3.258 9.037 ( 0.436 2.376 -7.213) 7.607 9.203 ( 4.484 9.565 7.991) 13.246 9.292 ( 1.664 8.768 -4.468) 9.981 9.387 ( 2.973 -5.788 2.421) 6.943 9.521 ( 1.868 -1.958 10.301) 10.650 9.911 ( 4.712 2.430 13.025) 14.063 10.232 ( -6.800 0.570 6.500) 9.425 10.319 ( -0.716 -1.889 0.955) 2.234 10.573 ( 1.793 1.412 -3.638) 4.295 10.767 ( -2.301 2.267 -2.127) 3.867 10.847 ( -2.083 0.353 -7.762) 8.045 10.987 ( -1.068 -1.705 -0.475) 2.067 11.162 ( -6.123 -12.035 -1.771) 13.619 11.437 ( -6.163 1.335 -4.770) 7.907 11.612 ( 1.877 4.075 -1.897) 4.871 11.756 ( -1.535 3.180 -5.130) 6.228 12.648 ( -2.335 -5.471 3.499) 6.901 12.684 ( -4.501 0.116 -2.473) 5.137 12.851 ( 6.211 2.132 -0.434) 6.581 13.228 ( 0.728 2.432 1.749) 3.082 13.535 ( 2.652 11.198 -0.039) 11.508 13.719 ( 2.370 -9.277 7.727) 12.304 14.019 ( 3.889 -8.006 1.990) 9.121 14.212 ( 2.839 -3.346 -0.124) 4.390 14.505 ( -6.322 -8.566 0.867) 10.681 14.953 ( 10.582 2.892 1.149) 11.030 15.324 ( -12.674 1.252 -6.536) 14.314 15.641 ( 1.400 5.284 -1.381) 5.638 18.800 ( 2.224 -6.336 -6.639) 9.443 19.157 ( -2.722 -12.644 2.958) 13.268 19.463 ( -3.993 2.573 -8.209) 9.484 20.034 ( 0.571 11.256 -5.454) 12.521 20.451 ( -1.558 -5.891 4.069) 7.327 20.531 ( 0.956 2.304 6.952) 7.386 20.798 ( 3.823 4.674 5.220) 7.981 21.302 ( 1.263 2.662 -6.246) 6.906 22.166 ( -1.422 3.851 6.796) 7.940 22.254 ( -0.661 4.374 2.472) 5.067 22.582 ( 0.552 -0.679 0.004) 0.875 22.855 ( 1.537 -7.714 -4.134) 8.886 ======================= Grid point 28 (22/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 2.114 11.897 17.234) 21.048 3.499 ( 12.060 12.337 27.256) 32.257 3.634 ( -10.400 -10.573 -8.228) 16.960 3.880 ( 0.899 -1.036 -6.051) 6.205 4.903 ( -6.489 -0.568 3.914) 7.600 5.164 ( -5.177 4.678 4.878) 8.513 5.199 ( 5.582 -7.644 10.604) 14.214 5.706 ( 3.511 -6.287 -9.151) 11.644 5.863 ( -7.378 -10.334 -6.540) 14.283 6.446 ( 1.012 -0.824 3.769) 3.988 6.894 ( 12.078 -1.650 -0.352) 12.195 7.024 ( 1.180 5.882 -16.915) 17.948 7.133 ( -5.574 -6.473 6.833) 10.939 7.393 ( -2.446 -5.086 -7.395) 9.302 7.543 ( 4.515 5.103 -13.673) 15.277 7.889 ( -4.400 7.120 7.728) 11.392 8.042 ( -1.968 0.003 1.533) 2.495 8.366 ( -1.506 -0.656 5.513) 5.753 8.509 ( 9.831 9.693 2.841) 14.095 8.753 ( -10.207 0.790 -6.342) 12.042 8.956 ( -1.367 3.996 -2.166) 4.746 9.357 ( -0.948 -3.343 2.309) 4.172 9.396 ( 2.023 8.406 2.145) 8.908 9.540 ( 9.019 12.765 8.367) 17.728 9.738 ( 6.959 -1.422 8.812) 11.318 10.030 ( -16.102 0.522 -0.067) 16.111 10.182 ( 1.344 2.306 13.586) 13.845 10.394 ( 7.901 -4.276 -0.861) 9.025 10.542 ( 1.313 -0.886 0.325) 1.618 10.699 ( -5.283 -2.221 -0.889) 5.800 10.734 ( -3.055 -1.089 -4.994) 5.954 10.983 ( 9.777 -3.812 -6.272) 12.226 11.018 ( -1.399 -3.151 -1.502) 3.761 11.257 ( -8.081 -1.139 -6.843) 10.650 11.572 ( -0.788 1.344 -7.141) 7.309 11.779 ( 2.681 3.905 -0.247) 4.743 12.565 ( -3.358 -1.724 -3.598) 5.215 12.628 ( -0.211 -1.860 0.572) 1.957 12.918 ( 3.304 -1.357 -1.919) 4.055 13.284 ( -2.326 5.964 2.799) 6.987 13.624 ( -0.818 2.765 2.929) 4.110 13.832 ( 5.015 0.342 6.389) 8.129 14.042 ( 5.216 -8.862 3.068) 10.731 14.184 ( -1.403 -6.229 -1.606) 6.584 14.347 ( -4.374 -6.024 -0.524) 7.462 15.071 ( -13.792 2.703 -5.041) 14.931 15.128 ( 10.400 1.836 -0.678) 10.583 15.708 ( 2.211 3.904 0.314) 4.497 18.712 ( 2.129 -4.633 -5.785) 7.711 18.984 ( -3.434 -9.913 -2.925) 10.891 19.439 ( 2.306 2.284 -1.432) 3.547 20.054 ( -1.899 9.530 -3.507) 10.331 20.488 ( 3.261 -1.694 2.840) 4.644 20.647 ( -0.537 -1.363 10.798) 10.897 20.895 ( -0.900 1.747 2.172) 2.929 21.213 ( -1.318 2.485 -8.246) 8.712 22.228 ( 0.364 3.448 0.190) 3.472 22.362 ( 0.672 3.524 6.241) 7.198 22.587 ( 0.465 -0.108 -0.263) 0.545 22.747 ( -1.062 -6.703 -2.289) 7.162 ======================= Grid point 29 (23/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 7.703 9.082 7.463) 14.053 3.272 ( -19.105 -2.564 -1.712) 19.352 3.674 ( -16.053 -7.216 0.967) 17.627 4.065 ( 10.631 2.794 13.916) 17.733 4.818 ( 6.951 -6.981 -4.569) 10.859 5.117 ( -13.037 5.049 5.249) 14.934 5.341 ( 2.557 -3.173 5.683) 6.993 5.611 ( -3.805 -0.301 -9.453) 10.194 5.711 ( 4.057 -1.428 -1.632) 4.600 6.454 ( -1.024 1.862 -1.940) 2.877 6.841 ( -8.013 2.901 -10.125) 13.234 6.984 ( 6.495 -4.919 -2.870) 8.638 7.182 ( 6.729 -7.954 7.251) 12.694 7.330 ( 9.121 7.030 -7.158) 13.559 7.566 ( 6.303 -1.745 -1.782) 6.779 7.877 ( -8.259 0.205 2.255) 8.564 8.058 ( -2.737 4.395 3.021) 5.994 8.371 ( -1.662 -0.550 1.806) 2.515 8.548 ( -5.770 1.333 -0.945) 5.997 8.762 ( 4.120 2.902 2.664) 5.700 8.971 ( -2.744 5.976 0.311) 6.583 9.323 ( -1.774 -4.322 0.430) 4.692 9.498 ( -2.389 3.816 4.299) 6.225 9.730 ( -10.293 3.977 1.468) 11.132 9.888 ( 3.680 2.156 5.043) 6.605 9.934 ( 2.213 6.284 7.587) 10.097 10.253 ( 3.452 -4.666 -2.251) 6.225 10.463 ( 1.790 -4.263 -0.518) 4.652 10.576 ( -3.158 -6.131 -4.175) 8.062 10.610 ( 1.453 1.026 2.715) 3.245 10.693 ( 5.681 -0.699 5.934) 8.245 10.967 ( -3.137 -0.404 -1.232) 3.394 11.071 ( -0.561 -0.000 -8.191) 8.210 11.104 ( 14.177 3.183 -3.674) 14.987 11.492 ( -0.262 -0.500 -4.897) 4.929 11.826 ( 1.330 1.999 -1.854) 3.033 12.500 ( -0.539 -0.047 -0.606) 0.812 12.632 ( 1.279 -0.051 0.666) 1.443 12.894 ( 0.904 -2.050 -3.903) 4.501 13.296 ( -6.519 4.845 1.564) 8.271 13.667 ( -0.362 -1.979 5.543) 5.897 13.889 ( -7.443 1.140 0.968) 7.592 14.023 ( -0.539 -10.069 -0.992) 10.133 14.166 ( 7.188 -5.944 7.118) 11.733 14.295 ( 2.638 1.508 -4.846) 5.719 14.874 ( -11.156 5.773 -2.662) 12.840 15.274 ( 9.663 1.213 -0.991) 9.790 15.748 ( -0.106 0.238 0.080) 0.273 18.640 ( 1.374 -2.610 -5.016) 5.819 18.892 ( 1.346 -5.145 1.276) 5.469 19.489 ( 5.086 1.562 -2.284) 5.790 20.068 ( -1.695 8.841 -2.400) 9.317 20.516 ( 0.237 -8.112 2.433) 8.472 20.732 ( -5.639 -0.246 7.473) 9.365 20.875 ( -1.733 -0.995 3.873) 4.358 21.172 ( 3.714 6.088 -8.002) 10.719 22.262 ( -0.352 4.145 0.500) 4.190 22.412 ( -1.400 -2.869 1.789) 3.659 22.564 ( -2.025 -1.105 -0.122) 2.310 22.708 ( 1.594 -0.329 -0.724) 1.781 ======================= Grid point 30 (24/90) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -23.519 7.694 6.369) 25.552 3.207 ( 11.878 4.481 -3.052) 13.057 3.320 ( -27.577 -10.105 7.062) 30.207 4.126 ( 4.519 -15.675 -10.631) 19.472 4.953 ( 11.850 3.155 3.949) 12.883 5.091 ( -14.262 7.298 11.487) 19.713 5.187 ( -22.608 0.765 -7.098) 23.709 5.489 ( 9.374 -0.818 -4.914) 10.616 5.875 ( 10.234 8.908 0.893) 13.598 6.394 ( -5.553 5.233 -6.496) 10.020 6.702 ( 0.282 -4.747 0.234) 4.761 6.978 ( 4.182 -6.551 -2.944) 8.311 7.311 ( 8.816 -3.857 4.612) 10.671 7.511 ( 11.813 9.033 -6.841) 16.369 7.607 ( -4.016 -1.052 6.192) 7.455 7.764 ( 1.039 -8.279 0.357) 8.352 8.105 ( 0.746 6.650 1.634) 6.889 8.389 ( 2.139 -0.807 0.221) 2.297 8.585 ( -0.407 4.936 8.184) 9.566 8.737 ( 0.024 -10.306 -4.113) 11.097 8.972 ( -4.670 7.406 -1.045) 8.817 9.233 ( -5.558 -3.748 -0.879) 6.761 9.478 ( -7.503 -0.519 0.335) 7.529 9.610 ( -6.461 -0.905 1.888) 6.792 9.900 ( -0.939 -4.615 -1.058) 4.827 10.144 ( 2.282 2.028 3.499) 4.643 10.254 ( 3.473 3.880 -6.157) 8.064 10.344 ( -4.874 -4.039 -6.952) 9.402 10.487 ( 0.648 -3.785 5.919) 7.055 10.614 ( -4.018 -1.438 1.728) 4.604 10.868 ( 2.386 3.936 -3.033) 5.512 10.977 ( 8.519 5.162 -0.848) 9.997 11.081 ( 9.002 -0.493 2.606) 9.385 11.319 ( 10.819 4.631 0.934) 11.806 11.456 ( 0.941 -3.088 1.641) 3.621 11.813 ( 0.862 -1.189 -2.550) 2.943 12.529 ( 0.921 2.551 2.274) 3.539 12.689 ( 1.919 3.099 2.327) 4.325 12.829 ( -0.129 -1.405 -4.886) 5.086 13.224 ( -7.275 2.597 -0.929) 7.780 13.661 ( -9.054 -7.787 4.575) 12.788 13.776 ( -0.258 0.339 0.213) 0.476 13.953 ( -0.484 -3.014 -2.402) 3.884 14.268 ( 6.404 -8.244 -0.168) 10.440 14.313 ( -2.380 5.088 3.119) 6.425 14.796 ( -4.161 8.964 -2.219) 10.129 15.413 ( 9.297 1.160 -0.096) 9.370 15.712 ( -2.134 -2.962 -0.681) 3.713 18.602 ( 1.169 0.055 -2.072) 2.380 18.965 ( 6.429 -0.868 5.444) 8.469 19.550 ( 6.757 1.103 -3.985) 7.921 20.097 ( -0.609 7.681 -1.798) 7.912 20.416 ( -4.426 -14.286 3.033) 15.260 20.645 ( -8.442 2.230 -0.820) 8.770 20.987 ( 0.880 0.146 10.994) 11.030 21.173 ( 4.479 3.481 -10.288) 11.748 22.294 ( 0.396 -0.165 -0.169) 0.461 22.357 ( -5.910 1.043 3.446) 6.920 22.536 ( -1.098 -0.281 -0.168) 1.146 22.709 ( 1.548 -0.339 -3.517) 3.857 ======================= Grid point 31 (25/90) ======================= q-point: (-0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -28.262 0.290 12.783) 31.020 2.955 ( -29.760 6.305 12.824) 33.013 3.340 ( 16.286 0.651 -11.727) 20.079 3.861 ( 7.252 -17.787 -18.274) 26.513 4.490 ( -42.879 2.040 -7.409) 43.563 5.235 ( -8.091 9.227 12.923) 17.821 5.339 ( 17.850 5.850 9.495) 21.048 5.596 ( 9.844 0.804 -1.445) 9.982 6.044 ( 3.019 9.902 -5.187) 11.579 6.299 ( -4.858 1.200 0.270) 5.011 6.652 ( 2.844 -10.782 -3.426) 11.665 6.991 ( 3.408 0.086 3.352) 4.781 7.487 ( 6.397 0.842 5.013) 8.170 7.527 ( 5.165 8.371 -9.282) 13.524 7.666 ( 6.201 -3.071 -0.691) 6.954 7.881 ( 12.006 -8.297 8.338) 16.808 8.189 ( 0.603 4.196 -0.683) 4.293 8.369 ( -1.019 -11.251 1.802) 11.440 8.541 ( -2.316 -7.754 -3.949) 9.005 8.798 ( 5.198 7.031 3.893) 9.571 8.932 ( -4.867 8.676 -3.540) 10.559 9.079 ( -8.094 -6.356 -0.941) 10.334 9.323 ( -4.770 -1.879 -3.732) 6.341 9.519 ( -4.501 -8.766 -3.092) 10.327 9.814 ( 0.401 -4.813 -3.336) 5.870 10.080 ( -3.394 -0.768 -4.820) 5.945 10.235 ( 1.349 5.106 -8.578) 10.073 10.244 ( -7.916 2.490 3.845) 9.146 10.552 ( -1.935 -1.446 -0.273) 2.431 10.591 ( 0.599 1.343 6.148) 6.321 10.888 ( 3.475 4.213 -5.685) 7.883 11.068 ( 4.419 2.504 -0.556) 5.109 11.350 ( 13.048 1.016 6.416) 14.576 11.482 ( 3.326 3.817 1.134) 5.188 11.507 ( 1.355 -4.991 9.508) 10.824 11.798 ( 2.093 -3.088 0.488) 3.762 12.602 ( -1.685 5.101 3.174) 6.239 12.682 ( -4.894 1.040 -3.693) 6.218 12.844 ( 6.127 1.594 1.397) 6.483 13.140 ( -2.475 3.813 -4.521) 6.411 13.483 ( -9.171 -7.181 2.344) 11.881 13.826 ( 4.492 -0.106 -3.024) 5.416 13.898 ( -2.116 -1.504 1.926) 3.233 14.241 ( -1.201 0.489 -3.403) 3.642 14.351 ( -1.754 -3.704 7.177) 8.264 14.805 ( -0.482 7.975 -5.004) 9.427 15.561 ( 8.252 0.686 1.847) 8.484 15.649 ( -1.412 -2.793 -0.192) 3.136 18.630 ( 2.065 2.033 1.512) 3.268 19.180 ( 9.998 3.483 7.290) 12.855 19.597 ( 6.662 -0.676 -4.814) 8.247 20.102 ( -0.724 -4.955 -0.311) 5.017 20.290 ( -5.251 -1.750 2.768) 6.188 20.554 ( -5.670 3.135 -0.538) 6.501 21.073 ( -1.009 3.246 -8.158) 8.838 21.118 ( 1.632 -6.457 3.432) 7.493 22.226 ( -3.897 -3.633 -0.563) 5.358 22.400 ( -5.084 7.253 6.466) 10.966 22.517 ( 1.665 -1.005 -1.631) 2.538 22.667 ( 1.017 -0.869 -4.609) 4.799 ======================= Grid point 32 (26/90) ======================= q-point: (-0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -31.906 -6.676 18.784) 37.622 2.781 ( -33.742 12.146 7.509) 36.639 3.420 ( 18.575 -2.728 -12.936) 22.799 3.668 ( 13.127 -12.766 -17.752) 25.504 3.987 ( -34.411 19.562 13.708) 41.889 5.274 ( -8.800 0.339 5.618) 10.446 5.722 ( 12.008 -1.311 5.009) 13.077 5.794 ( 15.272 10.689 3.125) 18.901 6.025 ( -4.070 -4.573 -0.137) 6.124 6.224 ( -4.184 0.372 0.732) 4.263 6.637 ( 9.449 -3.362 -3.845) 10.741 7.109 ( 2.534 4.206 2.355) 5.446 7.523 ( 2.283 6.122 -6.080) 8.925 7.693 ( 9.265 -1.068 -1.332) 9.421 7.710 ( 4.835 -1.027 -0.238) 4.948 7.990 ( 2.255 -7.623 -3.834) 8.826 8.159 ( 3.258 -8.758 2.503) 9.674 8.289 ( -2.385 -5.918 3.960) 7.510 8.477 ( 2.814 -1.873 -0.497) 3.416 8.802 ( -0.017 -4.506 -8.946) 10.017 8.840 ( -10.068 4.507 -7.148) 13.144 8.949 ( -3.499 -1.888 1.007) 4.102 9.277 ( -2.837 -11.044 -3.105) 11.817 9.416 ( 8.414 10.701 3.431) 14.038 9.725 ( -2.864 -1.590 -6.935) 7.670 10.002 ( -0.676 -1.296 -2.993) 3.331 10.146 ( -12.135 10.000 -2.786) 15.970 10.239 ( -0.153 0.504 2.417) 2.474 10.511 ( -0.206 -3.129 -0.576) 3.189 10.686 ( 2.375 2.736 3.767) 5.226 10.898 ( 3.369 0.960 -3.871) 5.221 11.157 ( 2.521 0.633 3.515) 4.372 11.487 ( -2.914 -2.351 0.679) 3.805 11.521 ( 3.291 -4.193 3.918) 6.615 11.642 ( 2.917 5.076 3.900) 7.035 11.833 ( 0.851 -1.605 3.707) 4.128 12.493 ( -6.956 -0.953 -3.402) 7.802 12.714 ( -0.700 6.357 3.120) 7.116 12.951 ( 2.698 -0.952 2.834) 4.027 13.113 ( 2.487 5.819 -7.317) 9.674 13.369 ( -4.223 -4.698 4.217) 7.595 13.772 ( -1.999 0.572 -5.465) 5.847 13.950 ( 4.836 -4.827 3.695) 7.768 14.195 ( -4.099 2.758 0.718) 4.992 14.391 ( 2.936 -3.091 4.003) 5.848 14.767 ( -1.623 3.803 -6.372) 7.596 15.622 ( 0.756 -3.578 1.312) 3.885 15.695 ( 3.821 3.329 0.755) 5.124 18.730 ( 3.880 2.326 4.465) 6.357 19.379 ( 5.586 -0.127 -4.143) 6.956 19.674 ( 8.174 0.048 6.241) 10.285 20.007 ( -0.672 -9.000 -0.226) 9.028 20.299 ( -3.503 6.392 2.888) 7.840 20.507 ( -4.825 4.665 -2.281) 7.089 20.953 ( 4.187 1.746 -11.661) 12.513 21.065 ( -6.668 -10.733 2.036) 12.798 22.148 ( -6.300 0.182 3.145) 7.044 22.389 ( -6.092 1.765 -0.031) 6.343 22.580 ( 1.356 0.179 3.776) 4.016 22.651 ( 6.404 1.879 -3.463) 7.519 ======================= Grid point 35 (27/90) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -23.402 4.049 18.546) 30.133 2.938 ( -3.031 11.924 11.868) 17.094 3.245 ( 18.873 0.068 -6.475) 19.952 3.495 ( 26.808 -5.102 -2.782) 27.430 4.648 ( 10.883 -14.831 -8.260) 20.165 5.165 ( -7.972 16.281 13.461) 22.579 5.669 ( -5.272 -6.097 -1.860) 8.272 5.774 ( -3.017 -10.849 -4.565) 12.151 6.088 ( 4.068 -3.654 0.113) 5.469 6.359 ( 13.081 5.877 -4.849) 15.138 6.503 ( -8.072 -3.351 -3.105) 9.275 7.153 ( -3.962 -0.432 -5.551) 6.833 7.458 ( -6.937 -1.783 2.979) 7.757 7.584 ( -0.140 -6.523 -3.529) 7.418 7.696 ( -1.932 -4.849 0.049) 5.220 7.802 ( -4.197 8.097 7.243) 11.646 8.099 ( -3.157 4.402 -5.122) 7.455 8.280 ( -0.410 6.763 0.843) 6.828 8.375 ( -3.576 9.514 -4.424) 11.085 8.754 ( 10.738 1.131 4.639) 11.752 8.929 ( 6.447 6.164 4.610) 10.040 8.979 ( 9.129 -0.059 8.275) 12.322 9.226 ( -1.277 1.297 -5.530) 5.821 9.401 ( -7.435 -11.133 0.445) 13.395 9.682 ( 1.857 2.605 5.049) 5.978 9.932 ( -7.528 1.705 1.195) 7.811 10.217 ( 1.321 0.987 3.158) 3.563 10.381 ( 6.790 -0.038 -3.117) 7.471 10.451 ( -0.328 2.438 2.137) 3.258 10.750 ( 1.424 -2.212 -1.825) 3.202 10.859 ( 1.273 -2.984 -0.136) 3.247 11.136 ( -6.277 -1.565 -2.168) 6.823 11.462 ( -7.673 -5.117 -0.713) 9.250 11.510 ( -0.269 4.765 -3.538) 5.941 11.628 ( -3.394 1.455 -0.273) 3.703 11.836 ( -2.729 3.818 -5.568) 7.282 12.556 ( 8.447 2.044 3.118) 9.233 12.795 ( -4.013 -8.541 -0.311) 9.442 12.887 ( -5.649 1.416 -0.735) 5.870 13.111 ( 4.633 -1.985 1.578) 5.282 13.428 ( 3.480 4.857 -1.853) 6.256 13.712 ( -0.696 -2.104 5.168) 5.623 13.941 ( 1.443 -3.321 0.514) 3.658 14.203 ( -2.794 0.698 -0.444) 2.914 14.484 ( 7.054 0.929 -5.045) 8.722 14.745 ( 2.381 -3.445 6.645) 7.854 15.583 ( -3.369 5.700 -4.127) 7.802 15.679 ( -4.256 -3.670 -0.747) 5.669 18.775 ( -1.109 -4.315 -4.968) 6.673 19.253 ( -2.848 -3.424 7.877) 9.049 19.670 ( -8.884 -1.703 -11.600) 14.710 19.968 ( 2.387 9.405 -2.996) 10.155 20.416 ( 2.907 -2.312 -1.871) 4.159 20.564 ( 3.667 -3.330 4.238) 6.519 20.743 ( -5.928 -1.244 11.115) 12.658 21.132 ( 9.207 9.185 -2.527) 13.248 22.214 ( 0.056 0.684 -2.892) 2.973 22.363 ( -5.212 1.989 7.149) 9.068 22.580 ( -1.373 -2.290 1.016) 2.857 22.701 ( 7.166 -2.862 -5.476) 9.462 ======================= Grid point 36 (28/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -13.576 5.803 19.818) 24.713 3.257 ( 8.274 12.202 15.237) 21.202 3.480 ( 17.889 7.372 -4.721) 19.916 3.604 ( 12.216 -14.230 -10.323) 21.408 4.848 ( 18.161 -0.320 12.774) 22.206 5.204 ( -11.295 -3.695 2.156) 12.078 5.447 ( -9.236 -2.629 -3.509) 10.224 5.594 ( 2.920 -5.419 -12.940) 14.329 6.066 ( -2.305 -13.127 1.291) 13.390 6.357 ( 1.116 -2.912 1.426) 3.429 6.581 ( 8.114 6.603 -0.090) 10.462 7.019 ( -2.552 2.979 -10.121) 10.854 7.373 ( -10.206 -2.322 1.314) 10.549 7.456 ( -3.016 -9.978 4.852) 11.497 7.680 ( 5.796 7.652 -6.175) 11.414 7.745 ( -7.490 2.756 -7.351) 10.851 8.094 ( -5.602 5.175 6.353) 9.926 8.355 ( 1.571 4.653 -1.546) 5.148 8.470 ( 2.263 9.957 5.256) 11.484 8.857 ( 1.261 -3.764 -5.501) 6.783 9.009 ( -2.915 -6.302 2.587) 7.410 9.107 ( 8.292 2.965 -0.694) 8.834 9.314 ( 8.679 4.156 8.833) 13.062 9.440 ( 3.596 11.050 4.841) 12.588 9.695 ( -6.545 2.258 4.646) 8.338 9.988 ( 2.509 3.348 7.840) 8.886 10.253 ( 3.194 -2.233 -0.953) 4.012 10.422 ( 0.313 -0.269 1.661) 1.712 10.485 ( 0.632 -0.417 -0.711) 1.039 10.732 ( 3.570 -0.452 -5.274) 6.385 10.825 ( -2.867 -3.822 1.758) 5.091 11.014 ( -5.845 -4.664 0.497) 7.494 11.197 ( -14.484 -4.007 -4.833) 15.786 11.465 ( -4.957 -1.950 -2.855) 6.044 11.586 ( -0.440 5.540 -8.723) 10.343 11.760 ( -2.016 3.012 -2.567) 4.441 12.656 ( -4.341 -6.577 -1.067) 7.953 12.726 ( 3.515 1.129 2.266) 4.332 12.792 ( -2.062 -1.390 -1.300) 2.806 13.199 ( 6.277 -2.119 2.958) 7.256 13.554 ( 7.099 11.191 -1.764) 13.369 13.734 ( -1.750 -6.485 7.718) 10.231 13.946 ( 2.226 -2.840 0.031) 3.609 14.178 ( -1.145 2.366 -1.414) 2.984 14.486 ( 0.999 -3.959 -3.448) 5.344 14.840 ( 5.968 -4.623 4.135) 8.607 15.453 ( -10.792 1.938 -4.085) 11.701 15.647 ( 1.262 2.798 -0.166) 3.073 18.672 ( -0.085 -4.369 -3.950) 5.890 19.157 ( -7.946 -8.660 -2.138) 11.946 19.484 ( -4.612 2.297 -1.711) 5.429 20.059 ( 1.638 12.481 -3.720) 13.126 20.398 ( 3.071 -5.683 -0.497) 6.479 20.607 ( 2.361 -1.712 4.990) 5.780 20.896 ( -0.069 2.956 11.280) 11.661 21.209 ( 2.626 3.325 -7.910) 8.974 22.216 ( 0.498 2.972 0.203) 3.020 22.405 ( -3.747 2.818 6.743) 8.213 22.559 ( 1.395 -3.071 -0.518) 3.413 22.696 ( 4.555 -3.981 -4.327) 7.438 ======================= Grid point 37 (29/90) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -5.741 4.777 12.614) 14.659 3.447 ( 8.172 -11.085 -8.631) 16.253 3.664 ( 14.980 5.260 -4.603) 16.531 3.814 ( 5.764 14.750 17.192) 23.374 4.883 ( -11.295 -10.845 -6.223) 16.850 5.260 ( 4.626 -4.031 16.888) 17.968 5.354 ( -1.528 3.877 -3.785) 5.629 5.487 ( 8.524 -1.928 -6.942) 11.161 5.829 ( -9.932 -9.534 -5.025) 14.656 6.442 ( 3.723 -2.324 3.213) 5.440 6.726 ( 8.517 -0.186 1.729) 8.693 6.914 ( -1.076 5.697 -7.312) 9.332 7.213 ( -6.477 -2.112 -1.163) 6.911 7.384 ( -8.229 -7.634 1.019) 11.271 7.522 ( -7.913 9.375 -5.467) 13.431 7.904 ( 14.643 3.006 -0.944) 14.979 8.083 ( -5.271 -1.592 3.535) 6.543 8.378 ( 1.138 2.256 -1.227) 2.809 8.603 ( -3.159 5.109 0.008) 6.007 8.749 ( 3.290 -1.354 -2.208) 4.188 9.014 ( -0.597 -1.062 4.980) 5.127 9.245 ( 5.346 2.115 0.960) 5.828 9.509 ( -0.050 4.945 0.795) 5.009 9.652 ( 9.313 6.072 8.585) 14.047 9.787 ( 0.305 7.516 7.289) 10.475 10.122 ( -0.275 1.853 2.855) 3.414 10.232 ( 2.147 -2.093 -7.064) 7.674 10.415 ( -6.255 0.884 3.288) 7.121 10.463 ( 3.224 -5.211 0.272) 6.134 10.708 ( -1.541 0.709 -2.666) 3.159 10.780 ( -2.126 -5.580 -1.260) 6.103 10.858 ( -6.316 -1.807 4.339) 7.873 11.008 ( -2.662 -0.385 -2.499) 3.671 11.270 ( -9.159 -5.199 -6.088) 12.165 11.498 ( -0.177 2.392 -8.148) 8.493 11.785 ( 1.382 1.973 1.462) 2.818 12.543 ( -2.832 -2.782 -2.236) 4.556 12.675 ( -4.230 -0.842 0.233) 4.319 12.833 ( 3.653 -1.546 -0.540) 4.003 13.317 ( 5.403 0.419 2.176) 5.840 13.692 ( -0.473 5.717 -0.308) 5.745 13.814 ( 8.529 0.950 5.712) 10.309 13.954 ( 1.968 -3.109 0.345) 3.696 14.160 ( -2.164 2.153 -1.544) 3.421 14.364 ( -5.818 -6.516 -2.080) 8.980 14.935 ( 8.718 -4.651 -0.010) 9.881 15.270 ( -11.060 2.235 -1.337) 11.362 15.711 ( 2.335 3.201 0.662) 4.017 18.608 ( 0.436 -2.801 -2.232) 3.608 18.950 ( -5.311 -4.466 -3.817) 7.920 19.455 ( -2.435 0.665 1.329) 2.853 20.104 ( -0.661 5.172 -1.893) 5.547 20.440 ( 4.517 1.355 0.031) 4.716 20.721 ( 4.931 -2.157 7.037) 8.860 20.988 ( -4.710 2.592 3.765) 6.563 21.123 ( 0.305 -0.809 -7.438) 7.488 22.261 ( 0.227 3.615 0.963) 3.748 22.432 ( -0.811 -1.306 1.432) 2.101 22.567 ( 2.040 -0.502 -0.281) 2.119 22.680 ( 1.000 -2.000 -0.142) 2.241 ======================= Grid point 38 (30/90) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 0.000 0.000 -0.000) 0.000 3.399 ( 0.000 -0.000 -0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 -0.000 -0.000) 0.000 4.687 ( 0.000 -0.000 0.000) 0.000 5.287 ( 0.000 0.000 -0.000) 0.000 5.345 ( 0.000 -0.000 -0.000) 0.000 5.607 ( 0.000 -0.000 0.000) 0.000 5.642 ( -0.000 0.000 -0.000) 0.000 6.455 ( 0.000 0.000 -0.000) 0.000 6.849 ( -0.000 0.000 -0.000) 0.000 6.893 ( 0.000 -0.000 0.000) 0.000 7.148 ( 0.000 -0.000 0.000) 0.000 7.229 ( 0.000 0.000 -0.000) 0.000 7.495 ( 0.000 -0.000 0.000) 0.000 8.004 ( 0.000 0.000 -0.000) 0.000 8.076 ( 0.000 0.000 0.000) 0.000 8.396 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 -0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 -0.000 0.000) 0.000 9.308 ( 0.000 -0.000 0.000) 0.000 9.529 ( 0.000 -0.000 -0.000) 0.000 9.862 ( 0.000 -0.000 0.000) 0.000 9.887 ( 0.000 0.000 -0.000) 0.000 10.051 ( 0.000 0.000 0.000) 0.000 10.203 ( -0.000 0.000 0.000) 0.000 10.373 ( 0.000 -0.000 -0.000) 0.000 10.470 ( -0.000 0.000 0.000) 0.000 10.659 ( 0.000 0.000 0.000) 0.000 10.715 ( 0.000 -0.000 0.000) 0.000 10.974 ( 0.000 0.000 -0.000) 0.000 10.990 ( -0.000 -0.000 0.000) 0.000 11.023 ( -0.000 -0.000 -0.000) 0.000 11.456 ( 0.000 0.000 0.000) 0.000 11.819 ( 0.000 -0.000 0.000) 0.000 12.492 ( 0.000 -0.000 -0.000) 0.000 12.642 ( 0.000 -0.000 -0.000) 0.000 12.846 ( 0.000 0.000 -0.000) 0.000 13.377 ( 0.000 0.000 -0.000) 0.000 13.701 ( 0.000 0.000 -0.000) 0.000 13.945 ( 0.000 0.000 0.000) 0.000 14.018 ( 0.000 -0.000 0.000) 0.000 14.086 ( 0.000 -0.000 0.000) 0.000 14.254 ( 0.000 -0.000 -0.000) 0.000 14.991 ( 0.000 -0.000 -0.000) 0.000 15.177 ( 0.000 0.000 -0.000) 0.000 15.750 ( 0.000 0.000 -0.000) 0.000 18.585 ( 0.000 -0.000 -0.000) 0.000 18.868 ( 0.000 0.000 0.000) 0.000 19.447 ( 0.000 0.000 0.000) 0.000 20.106 ( 0.000 0.000 0.000) 0.000 20.490 ( 0.000 0.000 0.000) 0.000 20.850 ( 0.000 -0.000 0.000) 0.000 20.905 ( -0.000 0.000 -0.000) 0.000 21.091 ( 0.000 -0.000 -0.000) 0.000 22.288 ( 0.000 -0.000 -0.000) 0.000 22.421 ( 0.000 0.000 -0.000) 0.000 22.579 ( -0.000 -0.000 0.000) 0.000 22.684 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -0.000 -0.000 39.977) 39.977 1.473 ( -0.000 -0.000 39.977) 39.977 2.430 ( -0.000 -0.000 61.240) 61.240 4.436 ( 0.000 0.000 -12.795) 12.795 4.535 ( -0.000 0.000 5.820) 5.820 4.535 ( 0.000 0.000 5.820) 5.820 6.106 ( -0.000 0.000 0.637) 0.637 6.106 ( 0.000 -0.000 0.637) 0.637 6.496 ( -0.000 -0.000 7.808) 7.808 6.496 ( -0.000 -0.000 7.808) 7.808 6.927 ( 0.000 0.000 -18.309) 18.309 7.224 ( 0.000 0.000 -10.665) 10.665 7.487 ( 0.000 0.000 -9.333) 9.333 7.487 ( 0.000 -0.000 -9.333) 9.333 7.590 ( 0.000 0.000 -0.927) 0.927 8.076 ( 0.000 0.000 -3.148) 3.148 8.076 ( 0.000 -0.000 -3.148) 3.148 8.079 ( 0.000 0.000 -9.297) 9.297 8.592 ( -0.000 0.000 6.929) 6.929 8.592 ( -0.000 0.000 6.929) 6.929 8.761 ( -0.000 -0.000 0.336) 0.336 9.004 ( 0.000 0.000 -17.857) 17.857 9.004 ( 0.000 -0.000 -17.857) 17.857 9.274 ( -0.000 -0.000 25.560) 25.560 9.609 ( -0.000 -0.000 12.256) 12.256 10.178 ( -0.000 -0.000 6.404) 6.404 10.181 ( 0.000 0.000 -1.493) 1.493 10.181 ( 0.000 -0.000 -1.493) 1.493 10.680 ( 0.000 -0.000 -8.895) 8.895 10.680 ( 0.000 -0.000 -8.895) 8.895 10.933 ( -0.000 0.000 -0.171) 0.171 10.933 ( 0.000 -0.000 -0.171) 0.171 11.080 ( 0.000 0.000 -2.358) 2.358 11.624 ( -0.000 0.000 2.206) 2.206 11.624 ( 0.000 0.000 2.206) 2.206 11.674 ( -0.000 -0.000 0.426) 0.426 12.620 ( -0.000 0.000 4.555) 4.555 12.620 ( -0.000 -0.000 4.555) 4.555 12.939 ( 0.000 0.000 -0.926) 0.926 12.939 ( 0.000 0.000 -0.926) 0.926 13.368 ( 0.000 0.000 -3.131) 3.131 13.711 ( -0.000 -0.000 8.089) 8.089 14.459 ( -0.000 0.000 5.799) 5.799 14.459 ( -0.000 -0.000 5.799) 5.799 14.682 ( 0.000 0.000 -1.339) 1.339 14.682 ( 0.000 -0.000 -1.339) 1.339 15.320 ( -0.000 -0.000 2.022) 2.022 15.503 ( 0.000 0.000 -11.447) 11.447 19.410 ( 0.000 0.000 -10.701) 10.701 19.410 ( 0.000 -0.000 -10.701) 10.701 19.897 ( 0.000 0.000 -7.854) 7.854 19.897 ( 0.000 -0.000 -7.854) 7.854 20.033 ( -0.000 -0.000 4.011) 4.011 20.415 ( -0.000 0.000 8.904) 8.904 20.415 ( -0.000 -0.000 8.904) 8.904 21.494 ( -0.000 0.000 9.607) 9.607 21.494 ( -0.000 -0.000 9.607) 9.607 22.242 ( 0.000 0.000 -3.232) 3.232 22.597 ( 0.000 0.000 -0.120) 0.120 23.232 ( 0.000 0.000 -4.311) 4.311 ======================= Grid point 77 (32/90) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 1.013 -1.410 36.321) 36.362 2.205 ( 6.892 17.129 37.238) 41.564 3.328 ( 23.163 5.484 47.461) 53.096 4.147 ( -12.465 -8.666 -10.662) 18.551 4.392 ( -8.527 -13.536 0.969) 16.027 4.795 ( 6.232 13.655 5.240) 15.898 5.936 ( -7.946 -2.107 -1.622) 8.379 6.267 ( 2.558 -1.160 5.600) 6.265 6.421 ( -9.241 -10.567 -0.988) 14.072 6.576 ( -7.648 2.161 -2.006) 8.197 6.682 ( 3.712 -4.165 -8.080) 9.819 6.995 ( -7.490 -2.352 -3.435) 8.570 7.356 ( 3.868 3.181 -11.869) 12.882 7.525 ( 0.505 5.127 -0.029) 5.152 7.688 ( 13.916 5.387 -9.786) 17.845 7.937 ( -4.536 5.621 -5.535) 9.100 7.979 ( -0.087 -5.255 -10.152) 11.432 8.093 ( 3.177 -0.299 -5.812) 6.631 8.468 ( -6.947 -4.419 -3.059) 8.783 8.716 ( -4.731 2.263 5.253) 7.423 8.770 ( 6.949 -3.009 2.925) 8.118 8.955 ( 7.113 4.241 -6.389) 10.459 9.056 ( 15.019 8.377 -4.011) 17.658 9.558 ( -4.139 -0.905 22.600) 22.993 9.666 ( -7.512 -4.126 10.479) 13.537 10.037 ( -9.100 2.319 -3.562) 10.043 10.104 ( -4.083 -9.581 -1.201) 10.484 10.282 ( 1.828 -1.005 8.138) 8.401 10.489 ( 0.194 -0.874 -9.403) 9.446 10.741 ( 7.137 9.024 -8.268) 14.167 10.904 ( -1.211 -1.150 0.818) 1.860 11.007 ( 2.750 4.168 0.828) 5.062 11.147 ( 12.037 1.748 -2.547) 12.427 11.556 ( -3.480 -5.895 -2.531) 7.298 11.605 ( -5.769 2.374 1.357) 6.385 11.716 ( 4.395 1.550 -2.514) 5.295 12.623 ( -0.353 -4.545 1.737) 4.879 12.692 ( 0.199 3.193 2.521) 4.073 12.912 ( -1.325 3.910 -2.294) 4.723 12.994 ( 5.294 -1.554 1.027) 5.612 13.358 ( 2.612 2.403 -3.441) 4.943 13.797 ( -2.017 -1.027 8.969) 9.250 14.363 ( -12.347 -2.980 3.722) 13.236 14.478 ( -10.398 -2.087 6.841) 12.620 14.606 ( 1.996 -6.409 -1.080) 6.799 14.753 ( 1.656 -1.020 2.610) 3.255 15.339 ( 5.396 2.861 -11.965) 13.434 15.490 ( 6.860 5.707 -1.185) 9.002 19.119 ( -7.499 -6.633 -7.794) 12.688 19.367 ( -2.602 4.087 -6.089) 7.782 19.738 ( -2.338 2.182 -8.305) 8.900 19.780 ( 3.307 -2.917 -9.594) 10.559 20.243 ( 9.718 3.132 0.896) 10.249 20.507 ( 2.020 -3.434 10.687) 11.405 20.587 ( 0.660 6.914 7.340) 10.105 21.389 ( -10.414 -8.259 6.601) 14.841 21.831 ( 10.720 8.052 10.659) 17.128 22.209 ( 0.773 0.493 -3.532) 3.649 22.595 ( -0.157 -0.038 0.019) 0.162 23.106 ( -5.790 -4.507 -4.289) 8.499 ======================= Grid point 78 (33/90) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 11.941 5.587 29.012) 31.867 2.837 ( 0.376 20.454 32.065) 38.036 3.623 ( -15.968 -15.355 -11.669) 25.038 4.083 ( -16.732 -17.744 0.548) 24.394 4.298 ( 27.647 2.550 30.615) 41.329 5.000 ( -1.306 11.980 1.589) 12.156 5.797 ( -3.063 -2.458 -6.508) 7.602 6.085 ( -11.503 -2.135 -11.704) 16.549 6.258 ( -5.938 -13.053 4.458) 15.018 6.400 ( -1.494 -12.952 -3.089) 13.399 6.600 ( -8.424 10.474 -4.670) 14.229 7.027 ( 6.540 5.494 -0.179) 8.543 7.336 ( 5.698 3.775 -6.392) 9.358 7.610 ( 0.574 1.835 2.392) 3.069 7.733 ( 13.270 2.694 -17.819) 22.380 7.794 ( -3.920 -3.369 -7.116) 8.795 7.879 ( -0.863 8.661 -3.724) 9.467 8.131 ( -0.638 -2.475 10.398) 10.708 8.328 ( -3.287 -1.130 -3.230) 4.745 8.754 ( 0.575 -2.481 5.847) 6.377 8.849 ( 3.316 -5.918 1.945) 7.057 9.069 ( 6.202 3.061 1.255) 7.029 9.235 ( 2.591 4.443 -3.590) 6.272 9.572 ( -5.132 0.232 8.955) 10.324 9.744 ( -5.192 -2.771 13.658) 14.872 9.850 ( -10.397 9.560 -4.046) 14.692 10.112 ( 6.535 -8.174 6.851) 12.508 10.366 ( 2.621 -4.088 -4.733) 6.781 10.423 ( -0.443 2.137 5.343) 5.771 10.805 ( 2.743 4.702 -4.689) 7.185 10.894 ( 0.016 1.851 -1.150) 2.180 11.082 ( 1.857 4.572 -0.924) 5.021 11.302 ( 12.184 -4.860 -6.439) 14.613 11.433 ( 1.294 -3.786 -2.238) 4.584 11.579 ( -3.005 6.078 -0.245) 6.785 11.732 ( 3.130 3.539 -5.954) 7.601 12.587 ( -0.130 -6.659 1.142) 6.758 12.744 ( 2.159 2.861 -0.302) 3.597 12.902 ( -1.148 5.456 -3.577) 6.624 13.062 ( 4.608 -3.105 0.814) 5.616 13.388 ( 1.775 3.887 -1.854) 4.658 13.845 ( -4.756 -1.913 8.642) 10.048 14.224 ( -8.382 -0.353 2.682) 8.808 14.330 ( -15.818 -0.756 3.171) 16.150 14.536 ( -0.315 -9.869 -2.276) 10.133 14.781 ( 1.687 -4.673 3.609) 6.141 15.346 ( 9.107 4.293 -9.438) 13.801 15.627 ( 4.507 6.188 0.171) 7.657 18.906 ( -5.362 -1.795 -6.496) 8.612 19.298 ( -0.419 -3.339 -1.051) 3.525 19.646 ( -2.121 10.999 -11.303) 15.913 19.729 ( 8.379 -3.702 -8.509) 12.502 20.378 ( 4.039 0.698 2.388) 4.744 20.624 ( 0.880 -6.010 11.000) 12.565 20.747 ( 0.353 10.784 6.526) 12.610 21.224 ( -9.753 -10.725 4.084) 15.061 22.158 ( 7.956 7.929 6.867) 13.165 22.190 ( 1.924 0.463 -1.702) 2.610 22.595 ( -0.120 0.270 0.314) 0.431 22.911 ( -7.089 -6.311 -4.702) 10.592 ======================= Grid point 79 (34/90) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 10.857 1.189 17.338) 20.491 3.001 ( -14.710 -12.519 -3.682) 19.664 3.368 ( -5.550 11.153 14.763) 19.317 3.667 ( -19.792 -13.329 7.294) 24.951 4.830 ( -12.215 0.758 -0.198) 12.240 5.016 ( 14.327 -2.336 7.113) 16.165 5.606 ( 0.043 -5.693 -12.659) 13.880 5.881 ( -4.196 9.698 -9.943) 14.509 6.032 ( -3.393 -18.348 -1.847) 18.750 6.292 ( -2.811 -5.276 1.379) 6.135 6.578 ( -2.086 9.315 0.340) 9.551 7.135 ( 2.048 12.490 -4.966) 13.596 7.450 ( 8.359 1.587 3.726) 9.289 7.554 ( 5.794 3.103 -13.806) 15.291 7.631 ( -2.917 -0.972 -5.595) 6.384 7.890 ( 12.329 -7.155 7.795) 16.247 7.938 ( -3.158 9.399 1.135) 9.980 8.159 ( 1.199 -3.948 0.180) 4.130 8.359 ( 1.276 4.095 7.956) 9.039 8.793 ( -4.281 -4.109 3.813) 7.053 8.839 ( 4.852 -7.748 3.180) 9.679 9.144 ( 1.277 2.659 -1.854) 3.484 9.213 ( -7.531 -2.715 11.639) 14.126 9.623 ( -3.279 3.369 1.323) 4.884 9.751 ( -9.681 6.515 5.290) 12.813 9.915 ( 6.173 5.720 2.470) 8.771 10.152 ( 5.079 -4.009 -5.588) 8.549 10.370 ( 3.080 -1.961 5.893) 6.932 10.479 ( -4.640 -1.565 4.968) 6.976 10.776 ( -3.345 1.411 -3.125) 4.790 10.903 ( -0.252 -0.342 2.759) 2.791 11.110 ( 2.030 2.336 -3.631) 4.771 11.286 ( 9.546 -4.097 -8.022) 13.125 11.410 ( 3.899 -3.376 -7.711) 9.277 11.632 ( 2.966 3.643 -1.516) 4.937 11.775 ( 2.870 10.015 -2.861) 10.804 12.540 ( -0.362 -7.263 1.664) 7.460 12.805 ( 5.198 1.025 -1.416) 5.484 12.858 ( -2.166 2.019 -5.612) 6.345 13.100 ( 3.664 -0.640 -0.980) 3.846 13.417 ( -2.389 3.430 1.636) 4.488 13.829 ( -5.496 -3.360 6.019) 8.816 14.111 ( -14.066 -1.085 -0.377) 14.113 14.211 ( -1.379 5.816 2.385) 6.436 14.400 ( -1.776 -9.279 -3.633) 10.122 14.820 ( 1.665 -5.460 5.669) 8.045 15.416 ( 8.435 3.488 -6.362) 11.126 15.715 ( 1.269 4.590 0.093) 4.763 18.771 ( -2.641 0.783 -5.797) 6.418 19.290 ( 4.677 -8.261 2.846) 9.910 19.587 ( -0.711 14.273 -12.468) 18.965 19.750 ( 9.230 -0.585 -6.376) 11.233 20.418 ( -1.855 -0.434 1.257) 2.282 20.707 ( -2.042 -1.675 9.371) 9.736 20.931 ( -0.513 8.883 9.113) 12.737 21.045 ( -5.364 -13.213 2.989) 14.570 22.167 ( 0.572 0.254 -2.799) 2.868 22.394 ( 4.805 3.361 4.661) 7.491 22.612 ( 0.669 0.050 0.879) 1.106 22.694 ( -6.965 -3.413 -5.267) 9.376 ======================= Grid point 80 (35/90) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -24.768 -24.083 -9.901) 35.937 2.987 ( -30.854 -19.988 -0.433) 36.765 3.464 ( 19.008 5.547 14.979) 24.828 3.877 ( -2.494 16.967 19.755) 26.160 4.262 ( -38.410 -12.409 -8.490) 41.248 5.112 ( 1.462 -12.993 -9.836) 16.361 5.570 ( 12.641 6.923 -9.188) 17.092 5.802 ( 1.849 0.363 -5.234) 5.563 5.929 ( 3.928 -2.347 -2.173) 5.065 6.255 ( -1.808 -3.493 3.608) 5.337 6.691 ( 2.320 9.872 3.740) 10.809 7.204 ( -0.962 12.080 -0.926) 12.153 7.475 ( 5.296 -7.436 -8.158) 12.243 7.614 ( 9.747 9.734 -11.718) 18.085 7.664 ( 6.275 -2.763 9.889) 12.034 7.946 ( -1.017 -0.097 1.285) 1.642 8.102 ( 7.276 -4.023 8.850) 12.142 8.216 ( 3.379 8.752 2.409) 9.686 8.487 ( -0.446 4.919 0.926) 5.025 8.732 ( -0.659 -7.014 3.845) 8.026 8.912 ( 4.533 -4.459 4.688) 7.900 9.183 ( -11.566 -4.099 10.024) 15.845 9.210 ( 0.944 0.068 7.663) 7.721 9.584 ( -8.731 10.445 -3.070) 13.955 9.702 ( -0.873 -1.583 -4.404) 4.761 9.981 ( 1.870 -4.166 3.083) 5.509 10.199 ( 2.130 2.899 -2.512) 4.388 10.386 ( -9.829 -2.803 5.329) 11.527 10.474 ( 2.710 -1.616 5.105) 6.002 10.680 ( -2.974 3.385 -6.663) 8.043 10.973 ( 1.086 -1.019 7.041) 7.197 11.100 ( 2.588 -0.418 -4.379) 5.104 11.315 ( 9.364 -4.975 -8.189) 13.397 11.360 ( 3.868 1.427 -4.111) 5.822 11.661 ( 2.785 0.438 -2.860) 4.016 11.843 ( -2.382 8.932 -2.321) 9.531 12.504 ( -0.559 -5.958 2.453) 6.467 12.742 ( -3.580 -1.242 -4.948) 6.233 12.873 ( 5.482 0.210 -1.937) 5.818 13.149 ( 5.870 2.593 -3.922) 7.521 13.398 ( -8.160 0.042 5.629) 9.913 13.833 ( 3.749 1.856 -1.643) 4.494 13.923 ( -11.193 -2.329 2.882) 11.791 14.225 ( -4.332 -7.578 -0.064) 8.729 14.325 ( 3.174 7.569 -2.090) 8.470 14.867 ( 0.273 -4.871 6.452) 8.089 15.484 ( 7.057 2.665 -5.528) 9.352 15.752 ( -0.403 2.422 0.668) 2.545 18.698 ( 0.094 1.359 -4.916) 5.101 19.360 ( 7.185 -8.088 5.038) 11.934 19.569 ( 2.586 14.133 -12.127) 18.802 19.831 ( 9.814 1.635 -3.934) 10.699 20.362 ( -5.588 -0.480 -0.114) 5.610 20.709 ( -11.086 0.738 4.828) 12.114 20.929 ( 1.887 -9.972 3.620) 10.775 21.136 ( 0.683 3.828 12.021) 12.634 22.119 ( -2.867 -3.348 -1.945) 4.818 22.409 ( -4.756 -5.334 -1.187) 7.244 22.539 ( 0.859 1.012 -2.709) 3.017 22.704 ( 2.266 5.340 0.703) 5.843 ======================= Grid point 81 (36/90) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -28.178 -21.473 -1.531) 35.461 2.302 ( -39.179 -16.076 -3.934) 42.531 3.337 ( -48.448 -29.712 5.000) 57.053 3.933 ( 17.593 0.533 8.709) 19.638 4.232 ( -0.841 18.143 11.418) 21.453 4.809 ( -2.999 -10.537 -15.703) 19.147 5.707 ( 10.236 10.846 -9.671) 17.775 5.860 ( 8.983 -1.810 2.084) 9.398 6.010 ( 6.581 4.291 0.258) 7.861 6.253 ( 0.186 -4.092 4.058) 5.766 6.868 ( 4.971 11.262 -0.028) 12.311 7.302 ( 0.698 9.176 1.668) 9.353 7.407 ( 10.756 -9.788 -9.438) 17.337 7.701 ( 10.196 8.446 -10.782) 17.074 7.791 ( -3.205 3.010 4.195) 6.077 8.005 ( 7.325 -5.159 6.720) 11.200 8.194 ( -4.247 2.326 4.544) 6.641 8.365 ( -4.437 3.844 4.562) 7.435 8.546 ( 7.495 5.311 -0.182) 9.188 8.705 ( -0.529 -8.632 3.163) 9.209 9.009 ( 3.515 -4.921 5.103) 7.912 9.083 ( -9.018 -3.677 6.944) 11.961 9.263 ( -8.341 0.109 5.254) 9.859 9.454 ( -6.078 14.650 -13.241) 20.661 9.657 ( 5.969 -10.074 -1.072) 11.759 10.039 ( 2.335 -0.074 2.445) 3.382 10.152 ( -1.907 -0.773 -1.592) 2.601 10.274 ( -6.617 -4.013 0.072) 7.739 10.575 ( 0.821 2.022 -9.195) 9.451 10.609 ( 3.045 2.646 6.081) 7.297 11.024 ( -0.965 -2.779 4.021) 4.982 11.103 ( 0.210 1.487 0.127) 1.507 11.312 ( 4.067 -0.511 -3.673) 5.504 11.397 ( 1.952 -2.529 1.861) 3.697 11.657 ( 0.040 -0.004 -1.369) 1.370 11.778 ( -7.108 1.753 -3.951) 8.319 12.469 ( -1.733 -2.394 0.449) 2.989 12.663 ( -0.558 0.042 -1.626) 1.720 12.924 ( 3.380 0.043 -0.615) 3.436 13.195 ( 4.710 0.567 -5.369) 7.165 13.353 ( -6.026 -0.682 6.823) 9.129 13.758 ( -6.743 -0.748 -3.104) 7.460 13.963 ( 6.170 3.485 2.550) 7.531 14.113 ( -0.963 -3.632 -1.686) 4.119 14.420 ( 3.244 5.624 -0.830) 6.546 14.892 ( -2.007 -3.960 5.579) 7.130 15.527 ( 5.640 1.993 -5.921) 8.416 15.778 ( -0.075 1.134 2.081) 2.371 18.679 ( 1.988 1.175 -1.986) 3.046 19.449 ( 2.241 4.931 -0.909) 5.492 19.631 ( 10.683 2.738 -4.190) 11.797 19.949 ( 9.835 0.760 -3.620) 10.508 20.270 ( -6.700 1.533 0.441) 6.888 20.564 ( -10.765 -3.453 1.999) 11.481 20.948 ( 1.193 -1.128 0.715) 1.791 21.307 ( 0.173 -0.900 12.712) 12.745 21.946 ( -10.728 -6.913 -2.568) 13.018 22.317 ( -1.026 -0.700 -1.204) 1.730 22.554 ( 1.525 0.951 -0.319) 1.825 22.773 ( 3.076 2.157 -0.875) 3.857 ======================= Grid point 82 (37/90) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -30.528 -6.598 21.303) 37.806 1.500 ( -46.773 -8.898 -4.507) 47.825 2.526 ( -45.360 -42.718 28.685) 68.594 4.232 ( 15.040 -4.245 2.652) 15.851 4.417 ( -4.308 9.638 4.340) 11.415 4.585 ( 1.351 0.567 -8.167) 8.297 5.820 ( 7.777 11.713 -8.311) 16.333 6.053 ( 11.401 -0.068 5.529) 12.671 6.140 ( 2.467 5.535 1.885) 6.346 6.337 ( 6.606 -5.738 8.561) 12.241 6.966 ( 7.200 8.870 -12.344) 16.820 7.357 ( -0.964 -0.393 -2.839) 3.024 7.420 ( 12.476 -0.781 -8.119) 14.906 7.703 ( -0.641 4.116 -9.547) 10.417 7.857 ( -0.428 15.586 1.649) 15.679 8.100 ( -3.725 -6.144 1.469) 7.333 8.203 ( 2.312 -2.697 3.756) 5.170 8.336 ( -0.283 -4.348 3.175) 5.391 8.585 ( -4.575 0.053 1.816) 4.922 8.723 ( -0.467 -7.375 5.981) 9.507 8.871 ( -10.715 -6.484 -6.375) 14.053 9.103 ( -3.820 -5.317 5.744) 8.709 9.124 ( -9.472 9.017 1.397) 13.152 9.486 ( 8.878 9.009 -11.453) 17.063 9.669 ( 6.971 -4.750 0.323) 8.442 9.960 ( -1.113 -9.535 -15.148) 17.933 10.126 ( -0.263 3.215 -0.042) 3.226 10.174 ( -3.301 2.168 0.053) 3.949 10.571 ( 6.584 2.540 -1.800) 7.283 10.745 ( 4.776 -0.265 2.817) 5.551 11.068 ( -0.219 1.696 4.296) 4.624 11.101 ( -1.647 3.084 1.563) 3.830 11.258 ( -7.543 1.975 -4.323) 8.915 11.415 ( -0.867 -7.992 3.854) 8.914 11.605 ( -8.402 2.141 -0.636) 8.693 11.664 ( -0.679 -5.515 5.325) 7.696 12.453 ( 1.453 0.310 -0.329) 1.521 12.654 ( -0.501 0.419 -0.649) 0.921 12.948 ( 0.551 0.338 -0.495) 0.814 13.140 ( -3.278 -5.030 -1.085) 6.101 13.398 ( 1.504 1.583 2.989) 3.701 13.633 ( -5.296 -1.398 -0.166) 5.480 14.111 ( 4.976 6.028 -2.239) 8.131 14.137 ( 6.402 4.130 2.776) 8.108 14.489 ( 4.336 -0.633 0.453) 4.405 14.871 ( -4.145 -3.567 3.450) 6.465 15.530 ( 3.129 0.913 -6.898) 7.630 15.795 ( -1.193 0.279 -1.224) 1.732 18.769 ( 6.167 2.504 7.985) 10.396 19.489 ( -1.841 16.739 -7.153) 18.296 19.797 ( 13.734 -5.985 1.943) 15.107 19.976 ( 3.300 -3.574 -6.073) 7.781 20.245 ( -2.900 4.304 1.947) 5.543 20.421 ( -6.447 -5.242 2.347) 8.634 20.922 ( -1.446 3.095 -7.849) 8.560 21.419 ( 0.621 -9.025 9.954) 13.451 21.647 ( -17.431 -1.966 -6.324) 18.646 22.308 ( -0.208 0.059 -0.175) 0.278 22.588 ( 1.025 0.709 0.946) 1.564 22.855 ( 7.540 -0.123 4.860) 8.971 ======================= Grid point 85 (38/90) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -2.512 -6.780 35.557) 36.285 2.657 ( 9.231 14.258 36.256) 40.037 3.803 ( -3.997 13.777 22.846) 26.976 4.145 ( -2.570 1.226 4.847) 5.622 4.351 ( -5.225 -18.399 -2.695) 19.316 4.871 ( 6.731 11.507 7.704) 15.397 5.846 ( -0.307 -19.853 -0.316) 19.857 6.243 ( 1.082 -12.930 -19.836) 23.703 6.404 ( -2.877 5.254 1.968) 6.306 6.468 ( -3.104 -15.330 3.838) 16.105 6.749 ( 6.244 5.685 1.524) 8.581 7.060 ( -10.418 4.203 -2.484) 11.505 7.111 ( 8.021 1.367 -15.400) 17.417 7.430 ( 0.105 14.954 -20.649) 25.495 7.595 ( 1.386 -3.466 4.147) 5.580 7.821 ( 1.223 -6.065 -3.104) 6.922 7.972 ( -5.067 3.575 -2.091) 6.544 8.074 ( 5.052 7.985 0.909) 9.493 8.463 ( 0.647 -6.697 -0.104) 6.729 8.763 ( -4.513 2.683 -0.390) 5.265 8.841 ( 2.563 9.246 -1.691) 9.743 8.928 ( -7.456 5.549 4.525) 10.337 9.031 ( 5.850 8.188 7.957) 12.829 9.778 ( -2.069 -12.114 5.612) 13.511 9.836 ( 6.590 -6.409 15.310) 17.858 9.907 ( 1.015 -5.000 3.785) 6.353 10.187 ( -5.477 -2.594 -1.108) 6.161 10.364 ( -1.548 3.324 -1.799) 4.084 10.431 ( 0.821 5.261 2.601) 5.926 10.585 ( 4.373 6.379 -9.977) 12.623 10.908 ( -0.297 -3.349 0.004) 3.363 10.996 ( 0.412 0.530 0.826) 1.064 11.111 ( -3.206 8.090 -1.022) 8.762 11.502 ( -2.864 -8.531 -4.050) 9.869 11.616 ( 4.749 -0.597 -3.081) 5.692 11.657 ( -1.376 2.915 -4.992) 5.943 12.614 ( -2.092 -2.339 -1.666) 3.553 12.732 ( 0.584 4.050 1.423) 4.332 12.848 ( 2.297 -2.713 -3.270) 4.830 13.041 ( -2.121 7.762 -0.113) 8.047 13.320 ( 1.213 6.576 -4.226) 7.910 13.908 ( 0.158 -3.524 9.873) 10.484 14.407 ( 3.436 -13.541 3.660) 14.442 14.523 ( 2.750 -12.051 2.960) 12.710 14.593 ( -3.859 -4.901 3.371) 7.090 14.851 ( -4.211 7.939 3.092) 9.503 15.137 ( 0.219 5.148 -15.712) 16.536 15.496 ( 1.653 6.691 2.050) 7.190 19.014 ( 0.303 -8.483 -8.222) 11.818 19.297 ( -0.420 7.380 -10.295) 12.674 19.512 ( 1.254 -13.911 -5.336) 14.952 19.765 ( -0.459 8.137 -9.175) 12.272 20.289 ( -0.757 11.228 2.659) 11.564 20.604 ( -0.645 -4.873 13.047) 13.942 20.724 ( 1.645 4.725 8.242) 9.642 21.475 ( -1.788 -13.501 5.100) 14.543 21.944 ( 1.520 12.641 9.627) 15.962 22.170 ( -0.065 1.559 -3.257) 3.611 22.596 ( 0.053 -0.224 0.065) 0.239 23.043 ( -0.645 -5.524 -6.229) 8.351 ======================= Grid point 86 (39/90) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 3.777 -1.267 29.343) 29.612 3.345 ( 7.293 17.567 30.369) 35.833 3.651 ( -17.952 -10.182 -8.526) 22.330 4.104 ( -5.361 -15.651 -0.941) 16.570 4.469 ( 3.336 9.984 25.491) 27.579 5.110 ( 1.778 10.795 0.841) 10.972 5.618 ( -2.057 -18.509 -6.775) 19.817 5.932 ( 2.009 -11.143 -14.478) 18.380 6.206 ( -6.377 -18.798 -2.742) 20.039 6.440 ( -6.493 0.156 1.740) 6.724 6.746 ( -8.495 7.907 -12.625) 17.148 6.962 ( 8.880 6.859 -0.332) 11.226 7.197 ( 6.797 5.808 -3.966) 9.780 7.340 ( 7.495 6.460 -20.804) 23.037 7.660 ( 4.535 -2.485 5.923) 7.863 7.809 ( -1.172 -2.326 2.657) 3.721 7.884 ( -5.953 3.879 2.940) 7.689 8.349 ( 0.324 4.274 14.397) 15.021 8.374 ( -4.386 1.929 -1.134) 4.924 8.693 ( 2.118 -4.734 -1.859) 5.509 8.882 ( -0.623 -0.918 1.883) 2.185 9.050 ( 1.085 11.527 6.190) 13.128 9.301 ( 3.793 9.399 7.496) 12.606 9.691 ( 1.672 -5.550 0.571) 5.824 9.844 ( -11.682 -6.864 2.887) 13.854 9.957 ( 5.381 -9.358 4.120) 11.554 10.185 ( -4.816 7.555 11.848) 14.854 10.307 ( -4.378 7.863 -7.263) 11.565 10.545 ( 0.916 0.857 8.087) 8.184 10.662 ( 10.896 1.351 -4.660) 11.928 10.884 ( 1.556 -3.325 -0.355) 3.688 11.033 ( 4.603 -0.332 -1.983) 5.023 11.111 ( -0.840 1.542 -4.128) 4.486 11.328 ( -0.639 -9.297 -5.110) 10.628 11.569 ( 1.179 -0.461 -6.285) 6.411 11.663 ( 2.985 7.272 -5.312) 9.488 12.544 ( -0.779 -3.558 -1.642) 3.995 12.761 ( 0.505 -0.286 -0.579) 0.819 12.846 ( 1.741 4.957 -4.594) 6.979 13.043 ( -1.273 4.692 -3.432) 5.951 13.398 ( 3.033 11.293 -1.859) 11.840 13.976 ( -1.908 -4.840 8.629) 10.076 14.313 ( -6.097 -9.180 0.551) 11.034 14.418 ( -1.697 -11.028 0.130) 11.158 14.599 ( -2.034 -10.869 8.749) 14.100 14.728 ( -8.194 4.252 -6.487) 11.283 15.164 ( 8.770 6.898 -5.191) 12.306 15.628 ( 4.065 6.003 1.768) 7.462 18.853 ( -1.842 -4.788 -6.939) 8.629 19.181 ( 1.182 -4.042 -8.165) 9.187 19.463 ( 7.048 -2.271 -4.955) 8.910 19.706 ( -3.371 11.852 -8.918) 15.211 20.421 ( 1.323 7.284 3.937) 8.385 20.724 ( -0.664 -4.984 13.642) 14.539 20.876 ( 2.479 4.395 7.248) 8.831 21.316 ( -8.710 -14.212 3.149) 16.963 22.153 ( 0.175 2.361 -2.645) 3.550 22.213 ( 6.098 10.163 6.602) 13.567 22.597 ( 0.272 -0.115 0.029) 0.297 22.877 ( -4.393 -6.200 -6.067) 9.724 ======================= Grid point 87 (40/90) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 9.591 0.404 20.934) 23.030 3.127 ( -25.781 -13.756 -3.615) 29.444 3.699 ( -15.308 -6.495 6.771) 17.955 4.004 ( -2.275 9.331 19.327) 21.582 4.846 ( 9.782 1.446 8.831) 13.258 5.063 ( -10.803 1.355 -6.813) 12.844 5.354 ( -1.352 -10.498 -10.867) 15.170 5.756 ( 3.438 -7.546 -10.236) 13.174 5.921 ( -4.777 -9.280 -7.434) 12.814 6.338 ( -5.142 -2.029 0.236) 5.533 6.657 ( 0.970 5.545 -2.784) 6.280 7.109 ( 5.814 12.453 -8.812) 16.326 7.272 ( 7.988 5.209 -12.092) 15.400 7.363 ( 11.105 0.277 3.156) 11.548 7.678 ( -7.921 -4.337 1.498) 9.154 7.846 ( 4.048 -2.051 9.283) 10.333 8.016 ( 6.347 7.169 4.784) 10.703 8.200 ( -10.508 -5.926 3.184) 12.477 8.525 ( -3.555 4.100 7.546) 9.295 8.736 ( 6.335 -3.335 1.733) 7.366 8.895 ( -3.238 -1.981 5.289) 6.510 9.214 ( -1.736 9.708 6.628) 11.882 9.403 ( -3.971 0.186 5.366) 6.678 9.663 ( -4.925 -7.465 4.768) 10.135 9.888 ( 12.507 6.470 3.996) 14.638 9.964 ( 1.997 -5.752 -0.989) 6.169 10.107 ( -17.039 14.631 -5.393) 23.098 10.385 ( 2.343 0.354 7.483) 7.849 10.634 ( -3.980 -0.948 6.708) 7.858 10.752 ( 6.491 1.039 -3.635) 7.512 10.894 ( 3.921 -4.891 2.223) 6.652 10.966 ( -0.193 -8.978 -9.729) 13.240 11.069 ( 3.809 0.187 -1.882) 4.253 11.258 ( 5.081 0.432 -6.192) 8.021 11.543 ( 4.949 -0.200 -5.027) 7.058 11.741 ( 6.414 8.277 -3.791) 11.136 12.499 ( 0.100 -3.678 0.175) 3.684 12.741 ( 1.839 -3.550 -2.415) 4.671 12.839 ( -1.765 6.881 -5.371) 8.906 13.024 ( 1.230 4.736 -5.488) 7.352 13.522 ( 1.071 10.521 1.557) 10.689 13.922 ( -7.112 -6.973 -0.172) 9.961 14.195 ( -3.844 -1.807 1.725) 4.584 14.297 ( -1.134 -10.484 -1.848) 10.706 14.469 ( -15.410 2.147 5.289) 16.434 14.723 ( 8.744 -9.465 1.718) 12.999 15.288 ( 6.652 6.078 -2.631) 9.387 15.726 ( 2.004 3.143 0.544) 3.767 18.719 ( -1.210 -2.300 -6.287) 6.803 19.124 ( 6.651 -7.781 -2.068) 10.443 19.505 ( 6.944 3.640 -6.877) 10.429 19.668 ( -2.282 13.894 -7.622) 16.011 20.504 ( -3.042 4.130 2.881) 5.884 20.826 ( -0.508 -3.104 11.343) 11.771 21.053 ( 2.950 -3.901 10.608) 11.681 21.097 ( -8.141 -8.264 1.022) 11.646 22.149 ( -0.256 2.672 -1.454) 3.053 22.406 ( 3.670 4.508 2.578) 6.359 22.593 ( -0.689 -2.458 -1.369) 2.896 22.699 ( -3.753 -0.977 -4.630) 6.040 ======================= Grid point 88 (41/90) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -31.996 -10.140 4.126) 33.816 3.297 ( -28.456 -16.387 4.197) 33.104 3.383 ( 15.290 -1.419 11.140) 18.971 4.344 ( -3.115 16.689 17.341) 24.268 4.632 ( -32.809 -7.670 -5.711) 34.174 4.840 ( -2.939 -10.142 -12.323) 16.228 5.286 ( 14.633 -0.736 -5.860) 15.780 5.670 ( 5.703 -5.534 -3.542) 8.701 5.811 ( 4.143 5.491 -8.747) 11.128 6.304 ( -1.511 -4.782 6.045) 7.854 6.757 ( 5.286 5.096 2.703) 7.824 7.121 ( 4.362 6.138 -14.428) 16.274 7.344 ( 9.318 6.285 -5.667) 12.587 7.449 ( -3.381 -1.969 -4.266) 5.789 7.670 ( 7.555 -0.957 9.908) 12.497 7.992 ( 2.140 3.144 2.589) 4.601 8.100 ( -1.305 -3.922 6.820) 7.975 8.237 ( 7.891 1.525 6.427) 10.291 8.600 ( -3.096 7.893 4.088) 9.412 8.800 ( 0.342 -5.752 3.824) 6.915 8.858 ( -2.933 -2.525 3.293) 5.081 9.323 ( -1.929 -1.114 4.953) 5.430 9.381 ( -4.579 -1.325 6.975) 8.448 9.593 ( -4.383 -8.908 4.517) 10.907 9.855 ( -12.397 14.142 -10.930) 21.752 9.979 ( -2.213 -1.236 1.613) 3.005 10.152 ( 6.522 3.134 2.562) 7.676 10.420 ( -2.397 -2.634 -2.331) 4.256 10.592 ( -3.487 -2.886 5.302) 6.971 10.664 ( -7.104 0.245 -10.934) 13.042 10.888 ( 11.049 -5.979 -4.955) 13.505 10.980 ( 6.319 0.620 1.174) 6.457 11.152 ( 5.557 1.168 3.988) 6.939 11.317 ( 4.028 5.239 0.453) 6.624 11.570 ( 4.638 -0.492 -2.051) 5.095 11.854 ( 5.280 4.032 -2.866) 7.235 12.490 ( 0.064 -1.916 1.959) 2.741 12.694 ( -0.412 -2.164 -3.896) 4.476 12.806 ( 1.033 3.839 -4.004) 5.642 13.029 ( 3.816 4.795 -6.622) 9.023 13.609 ( -7.524 1.983 7.008) 10.471 13.757 ( 0.835 3.026 -8.717) 9.265 14.097 ( -7.342 -7.088 1.407) 10.302 14.209 ( -4.214 -5.706 2.564) 7.543 14.400 ( -5.011 6.878 1.921) 8.724 14.795 ( 8.261 -10.444 2.906) 13.630 15.390 ( 4.201 6.409 -2.301) 8.001 15.760 ( 0.912 -0.162 0.257) 0.961 18.638 ( 0.703 -0.900 -3.963) 4.125 19.192 ( 10.810 -7.061 2.479) 13.148 19.536 ( 2.870 10.994 -10.153) 15.238 19.707 ( 3.270 10.171 -3.815) 11.345 20.476 ( -7.007 2.079 1.363) 7.435 20.858 ( -8.074 -16.300 2.744) 18.396 20.931 ( -0.903 1.936 6.690) 7.023 21.245 ( 4.182 -2.390 10.215) 11.293 22.152 ( -2.715 2.458 1.571) 3.985 22.410 ( -4.689 -5.682 -2.349) 7.732 22.511 ( 0.609 2.070 -2.216) 3.093 22.689 ( 2.293 3.327 -3.130) 5.111 ======================= Grid point 89 (42/90) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -33.873 0.694 17.001) 37.907 2.742 ( -37.066 -12.337 3.102) 39.188 3.662 ( 13.875 -6.601 1.308) 15.420 3.935 ( -40.827 -17.425 5.660) 44.749 4.439 ( 3.575 -14.255 -13.147) 19.719 4.689 ( -9.025 19.143 9.803) 23.324 5.486 ( 16.551 6.957 -6.007) 18.932 5.741 ( 9.541 -0.778 0.677) 9.596 5.898 ( 10.120 6.319 -2.677) 12.227 6.297 ( -4.308 -6.064 5.703) 9.373 6.930 ( 2.971 5.583 5.698) 8.513 7.014 ( 7.585 -4.608 -13.902) 16.494 7.361 ( 0.087 2.424 -5.335) 5.861 7.488 ( 10.414 8.084 -5.357) 14.230 7.896 ( 9.969 -3.885 3.937) 11.401 8.004 ( -5.368 11.265 1.321) 12.549 8.226 ( 5.841 -4.630 5.359) 9.180 8.443 ( 8.361 0.284 6.764) 10.758 8.554 ( -10.993 3.898 -4.086) 12.358 8.806 ( -2.573 0.248 9.341) 9.692 8.869 ( 3.346 -13.082 2.473) 13.728 9.247 ( -6.211 -7.272 4.789) 10.695 9.364 ( 0.470 -3.622 -7.939) 8.739 9.524 ( -7.530 -0.393 6.088) 9.692 9.676 ( -13.022 11.779 -3.794) 17.964 9.991 ( 3.548 -0.630 -3.615) 5.104 10.107 ( -4.541 -5.569 -7.682) 10.519 10.299 ( -3.079 -3.293 -3.505) 5.710 10.479 ( -1.156 2.307 -5.943) 6.479 10.639 ( 2.070 0.277 2.914) 3.585 10.948 ( 6.998 -3.494 -1.153) 7.906 11.085 ( 5.136 1.879 -0.066) 5.469 11.300 ( 2.499 4.660 3.199) 6.180 11.445 ( 2.187 6.087 3.258) 7.242 11.629 ( 2.286 -2.129 6.465) 7.180 11.845 ( -4.218 0.349 -3.195) 5.303 12.494 ( -2.952 0.737 0.169) 3.047 12.629 ( 1.429 -0.451 -2.522) 2.933 12.860 ( 4.715 1.577 0.787) 5.034 13.051 ( 6.313 3.209 -7.274) 10.152 13.507 ( -8.554 -4.718 4.290) 10.669 13.793 ( 0.665 9.348 -5.937) 11.093 13.977 ( -1.248 -4.885 1.941) 5.402 14.127 ( -6.025 -4.175 4.961) 8.851 14.433 ( -0.109 6.824 -1.988) 7.108 14.843 ( 6.030 -10.464 1.910) 12.228 15.458 ( 1.624 7.470 -3.059) 8.234 15.776 ( 1.764 -2.225 1.089) 3.041 18.640 ( 3.173 0.663 0.436) 3.271 19.366 ( 13.382 -4.762 4.544) 14.913 19.543 ( 0.957 15.546 -10.937) 19.032 19.811 ( 4.995 6.182 -1.930) 8.179 20.400 ( -6.974 2.096 1.251) 7.389 20.645 ( -7.697 -14.165 2.297) 16.284 20.967 ( -1.735 2.025 -1.380) 3.002 21.372 ( 2.734 -9.169 9.737) 13.651 22.093 ( -12.564 1.355 1.651) 12.744 22.309 ( 0.015 -0.516 -0.441) 0.679 22.536 ( 2.403 1.101 0.191) 2.651 22.694 ( 3.335 0.494 -4.855) 5.911 ======================= Grid point 90 (43/90) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -34.117 4.212 18.792) 39.177 2.147 ( -39.620 4.507 13.262) 42.023 3.241 ( -43.207 -25.109 27.949) 57.258 3.903 ( 19.936 -6.953 -4.329) 21.553 4.227 ( 9.139 -13.423 -13.405) 21.057 4.856 ( -10.671 18.450 11.070) 24.018 5.692 ( 11.356 13.075 -8.091) 19.115 5.931 ( 13.287 0.692 2.452) 13.529 6.126 ( 12.300 4.433 3.178) 13.455 6.248 ( 0.700 -8.823 4.717) 10.029 6.868 ( -1.430 -1.261 -6.945) 7.202 7.124 ( 9.003 -2.817 -1.711) 9.588 7.343 ( 2.770 8.027 -5.520) 10.128 7.612 ( 4.888 7.218 -5.823) 10.483 7.949 ( 4.851 -0.394 -2.565) 5.501 8.089 ( 0.756 6.579 -2.029) 6.926 8.267 ( -2.067 -2.605 1.024) 3.480 8.335 ( -10.405 1.221 -7.589) 12.936 8.573 ( 2.669 -8.482 6.100) 10.784 8.706 ( -6.137 -15.487 -3.155) 16.954 8.925 ( 1.815 -2.015 9.187) 9.579 9.165 ( -5.073 -5.411 5.534) 9.254 9.305 ( 2.178 5.280 -8.930) 10.600 9.433 ( -8.286 -0.912 1.792) 8.527 9.632 ( -1.341 5.029 4.971) 7.197 9.742 ( -8.254 -3.089 -20.220) 22.057 10.064 ( 6.896 1.537 -5.080) 8.702 10.210 ( -3.566 -1.932 1.378) 4.284 10.540 ( 3.672 2.645 4.441) 6.340 10.700 ( 3.582 -0.290 0.445) 3.621 11.015 ( 7.228 -3.352 0.340) 7.975 11.144 ( -0.693 2.598 1.477) 3.068 11.322 ( -3.824 4.858 -5.387) 8.200 11.495 ( -4.450 4.953 -1.427) 6.810 11.682 ( -4.690 -5.895 2.497) 7.936 11.767 ( -3.076 3.346 5.051) 6.795 12.441 ( -0.967 0.278 -0.381) 1.076 12.670 ( 1.332 0.073 3.120) 3.393 12.934 ( 1.837 0.463 0.978) 2.132 13.084 ( 3.748 -0.148 -3.464) 5.106 13.441 ( -2.381 -3.197 4.090) 5.711 13.723 ( -6.177 1.110 -1.333) 6.416 14.061 ( 6.566 5.504 0.445) 8.579 14.132 ( 2.375 -0.793 5.493) 6.037 14.447 ( 0.966 3.398 -3.211) 4.774 14.836 ( 2.911 -10.604 0.881) 11.031 15.490 ( -0.601 7.724 -3.624) 8.553 15.776 ( -0.240 -2.388 -1.492) 2.826 18.762 ( 7.486 1.929 5.155) 9.292 19.530 ( 10.897 4.228 -11.616) 16.479 19.614 ( 2.189 11.203 2.965) 11.793 19.878 ( 2.017 1.508 -0.448) 2.558 20.355 ( -4.642 1.810 1.857) 5.317 20.457 ( -6.268 -12.025 1.948) 13.700 20.901 ( -2.173 2.134 -5.868) 6.611 21.355 ( -1.754 -15.157 0.680) 15.274 21.922 ( -15.301 3.980 4.600) 16.466 22.314 ( -1.151 0.386 -0.435) 1.290 22.593 ( 0.604 0.446 1.228) 1.439 22.746 ( 10.881 -0.101 0.843) 10.914 ======================= Grid point 93 (44/90) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -5.476 -2.648 32.080) 32.652 3.070 ( 2.153 5.412 31.807) 32.336 3.740 ( 15.610 -2.281 -9.119) 18.222 4.141 ( 3.307 -17.005 -7.495) 18.876 4.644 ( -9.706 20.650 22.272) 31.885 4.993 ( 2.326 5.705 9.159) 11.038 5.693 ( -1.601 -17.812 -0.419) 17.889 5.843 ( 3.261 -12.544 -20.929) 24.617 6.373 ( -4.555 -13.956 -5.154) 15.559 6.473 ( 5.841 -0.788 4.517) 7.426 6.600 ( 12.890 5.811 -3.492) 14.565 6.899 ( -1.690 2.838 -12.869) 13.286 7.226 ( -5.711 6.527 -6.559) 10.873 7.343 ( -9.551 8.378 -15.190) 19.803 7.634 ( -5.202 -3.727 2.351) 6.818 7.805 ( 2.765 -1.097 5.183) 5.976 7.942 ( 7.990 3.414 6.650) 10.942 8.247 ( -6.780 5.576 5.402) 10.307 8.370 ( 6.532 -2.908 5.088) 8.776 8.861 ( -3.782 3.055 0.335) 4.874 8.939 ( -5.954 4.819 0.013) 7.659 9.064 ( 5.996 10.445 3.548) 12.555 9.187 ( -4.723 5.232 7.619) 10.379 9.614 ( -0.699 -16.864 -3.125) 17.165 9.736 ( 9.856 -7.869 9.326) 15.685 9.999 ( 9.652 2.150 8.695) 13.168 10.264 ( -8.983 0.290 1.084) 9.052 10.306 ( 5.410 6.651 -4.828) 9.840 10.540 ( 1.561 1.837 7.117) 7.514 10.603 ( -9.694 3.724 -3.713) 11.029 10.872 ( -0.693 -4.831 0.239) 4.886 11.024 ( -2.312 -1.182 0.862) 2.736 11.268 ( -9.026 9.371 -2.955) 13.342 11.386 ( -1.769 -12.851 -4.938) 13.881 11.497 ( 3.951 2.485 -7.594) 8.914 11.627 ( -1.181 4.320 -5.592) 7.164 12.627 ( -4.518 1.093 -2.393) 5.228 12.757 ( 4.443 4.968 -3.085) 7.344 12.765 ( -2.444 -4.311 -0.696) 5.004 13.125 ( -1.172 8.048 -1.878) 8.347 13.329 ( -0.653 8.639 -4.450) 9.740 13.965 ( 2.342 -6.411 8.985) 11.284 14.264 ( 5.421 -14.305 4.392) 15.916 14.338 ( 8.349 -11.220 -1.469) 14.062 14.595 ( 0.396 -2.856 -2.682) 3.938 14.926 ( 4.812 4.355 4.277) 7.772 15.160 ( -11.565 7.439 -6.932) 15.399 15.569 ( -2.142 3.105 1.781) 4.171 18.827 ( 2.682 -6.230 -6.667) 9.511 19.272 ( -6.582 2.878 -12.071) 14.047 19.372 ( -0.417 -7.784 -0.233) 7.799 19.730 ( 1.359 12.014 -8.451) 14.751 20.413 ( -0.951 6.220 1.820) 6.550 20.734 ( -0.454 -5.139 11.184) 12.316 20.833 ( 0.463 2.104 10.653) 10.869 21.372 ( 6.259 -10.606 2.388) 12.545 22.140 ( -1.067 3.601 0.738) 3.827 22.197 ( -4.514 7.790 4.440) 10.039 22.593 ( -0.076 -0.449 0.148) 0.479 22.894 ( 3.734 -5.001 -7.050) 9.415 ======================= Grid point 94 (45/90) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -2.887 -4.925 26.239) 26.853 3.638 ( 12.558 9.790 24.567) 29.276 3.707 ( -7.955 -5.532 -4.507) 10.687 3.946 ( 6.099 -15.773 -2.890) 17.157 4.868 ( -6.983 14.583 11.629) 19.916 5.129 ( -1.346 0.463 -4.880) 5.083 5.483 ( -1.941 -9.786 -1.082) 10.035 5.632 ( 3.551 -10.878 -8.490) 14.248 6.085 ( -5.670 -17.637 -5.358) 19.285 6.503 ( -2.209 -1.663 -1.732) 3.263 6.632 ( 0.836 10.434 -19.587) 22.208 6.893 ( 7.623 2.813 3.455) 8.829 7.078 ( 4.360 9.536 -18.578) 21.333 7.255 ( -6.377 2.494 3.356) 7.625 7.635 ( 3.023 -7.730 9.333) 12.490 7.917 ( -1.673 1.872 8.701) 9.056 8.069 ( -5.968 0.168 4.010) 7.192 8.339 ( 9.656 5.434 -2.118) 11.281 8.507 ( 1.786 0.070 11.085) 11.229 8.718 ( -9.799 -0.843 -0.247) 9.839 8.947 ( -3.162 1.234 6.591) 7.413 9.262 ( 0.598 11.749 7.196) 13.790 9.416 ( 4.066 9.829 7.192) 12.840 9.508 ( 7.512 -8.515 -0.057) 11.355 9.885 ( 5.122 -3.880 3.165) 7.163 10.022 ( -13.482 -2.229 -2.297) 13.857 10.283 ( 7.793 0.993 8.992) 11.940 10.339 ( 4.219 1.421 -7.779) 8.963 10.535 ( -4.367 13.068 -0.235) 13.781 10.697 ( 2.303 -5.046 12.057) 13.271 10.793 ( -0.696 -7.629 -1.677) 7.843 10.983 ( -1.194 -2.227 -1.684) 3.037 11.125 ( -5.706 -1.906 -5.134) 7.909 11.197 ( -3.187 -9.037 -5.520) 11.059 11.439 ( 2.553 2.291 -9.597) 10.192 11.650 ( 1.170 9.087 -3.116) 9.678 12.535 ( -3.357 0.030 -2.235) 4.033 12.675 ( 1.048 -4.452 -2.664) 5.293 12.841 ( 2.211 5.575 -4.088) 7.259 13.107 ( -4.789 10.582 -4.163) 12.338 13.422 ( 4.505 15.230 -4.123) 16.408 13.990 ( 1.421 -8.286 -0.135) 8.408 14.241 ( 1.973 -9.720 2.418) 10.208 14.380 ( 6.764 -13.143 3.790) 15.259 14.471 ( -3.731 -7.925 -1.242) 8.847 14.960 ( -15.096 3.989 -1.344) 15.672 15.086 ( 6.504 4.186 2.241) 8.053 15.647 ( 2.876 4.769 1.971) 5.907 18.731 ( 0.918 -5.586 -5.430) 7.844 19.042 ( -1.715 -4.469 -9.173) 10.347 19.371 ( 1.105 2.489 -1.360) 3.044 19.741 ( -1.157 14.172 -8.235) 16.432 20.503 ( 1.965 4.999 3.416) 6.365 20.870 ( 1.499 -5.113 15.001) 15.920 20.936 ( -0.099 -0.131 5.986) 5.989 21.294 ( -2.803 -15.008 0.892) 15.294 22.158 ( -0.290 3.798 -1.062) 3.954 22.315 ( 0.984 9.736 4.157) 10.632 22.589 ( 0.079 -0.402 -0.174) 0.445 22.788 ( -0.447 -4.871 -6.720) 8.312 ======================= Grid point 95 (46/90) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 2.934 -5.510 16.455) 17.599 3.373 ( -19.770 -9.075 1.326) 21.794 3.856 ( -6.597 -10.339 4.172) 12.955 4.166 ( 13.356 4.088 11.968) 18.394 4.886 ( 1.561 -8.276 -7.426) 11.228 5.031 ( -8.469 9.296 2.268) 12.779 5.360 ( -7.049 5.830 -9.005) 12.836 5.504 ( 4.057 -10.939 -5.650) 12.963 5.852 ( -5.687 -9.092 -1.529) 10.833 6.392 ( -5.367 0.983 -3.558) 6.514 6.570 ( 5.074 8.984 -8.847) 13.591 7.026 ( 4.761 8.135 -5.596) 10.962 7.096 ( 8.101 -1.340 -3.916) 9.097 7.279 ( 3.632 1.578 3.384) 5.209 7.740 ( 1.676 -6.479 7.608) 10.132 7.950 ( -6.267 -1.677 7.696) 10.065 8.066 ( 1.425 0.040 5.208) 5.400 8.346 ( -7.113 -0.782 0.247) 7.160 8.607 ( 1.492 -4.203 2.852) 5.294 8.721 ( 1.967 7.361 4.444) 8.821 8.997 ( -4.551 -2.759 7.294) 9.029 9.424 ( -1.282 -5.313 1.051) 5.566 9.454 ( -0.696 9.295 6.883) 11.588 9.704 ( 2.703 0.269 0.517) 2.766 9.854 ( 0.805 7.608 3.262) 8.316 9.975 ( -0.225 0.420 5.010) 5.032 10.235 ( -4.395 -2.079 -5.249) 7.155 10.468 ( 7.310 -0.028 -4.454) 8.560 10.584 ( -3.834 5.268 3.638) 7.462 10.689 ( 0.247 -9.520 -1.953) 9.722 10.810 ( 3.171 -2.302 3.485) 5.244 10.942 ( -8.352 0.245 -5.083) 9.780 11.003 ( 4.012 -0.525 -0.338) 4.060 11.074 ( 9.647 -7.070 -1.634) 12.071 11.430 ( 3.084 3.198 -2.272) 4.990 11.703 ( 1.643 8.414 -3.702) 9.338 12.495 ( -0.521 -0.091 0.382) 0.652 12.649 ( 2.478 -2.057 -1.526) 3.564 12.816 ( -0.204 2.540 -6.955) 7.408 13.083 ( -5.684 13.819 -5.196) 15.820 13.563 ( 4.611 13.477 -4.811) 15.034 13.885 ( -0.437 -2.307 -8.665) 8.978 14.203 ( -2.037 -10.766 1.901) 11.121 14.302 ( -5.720 -6.851 6.056) 10.785 14.487 ( 11.250 -13.652 2.913) 17.928 14.773 ( -15.405 2.966 2.609) 15.904 15.235 ( 6.613 3.644 1.291) 7.660 15.729 ( 1.530 2.392 0.567) 2.895 18.636 ( -0.287 -3.421 -4.062) 5.319 18.954 ( 4.828 -3.370 -4.018) 7.128 19.403 ( 3.069 3.682 -2.731) 5.517 19.745 ( -2.532 16.467 -7.332) 18.202 20.600 ( 0.000 3.564 2.385) 4.288 20.927 ( -2.890 -9.868 7.955) 13.000 21.079 ( 6.312 -3.065 6.650) 9.667 21.124 ( -6.386 -11.260 5.829) 14.197 22.182 ( -0.418 5.263 -0.053) 5.280 22.424 ( 1.492 3.665 0.165) 3.960 22.574 ( -1.496 -1.187 -1.305) 2.313 22.670 ( -1.123 -0.289 -5.001) 5.134 ======================= Grid point 96 (47/90) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( -24.368 -2.202 10.213) 26.513 3.259 ( 7.868 -8.605 4.424) 12.470 3.622 ( -21.667 -12.672 7.690) 26.252 4.258 ( 5.699 -17.018 -13.029) 22.177 4.837 ( 3.014 6.799 -6.336) 9.771 5.017 ( -14.413 14.318 3.627) 20.637 5.142 ( -6.558 -3.397 -2.179) 7.700 5.504 ( 7.069 -3.680 1.023) 8.035 5.744 ( -1.867 5.507 -3.398) 6.735 6.342 ( 0.068 -2.248 2.685) 3.503 6.668 ( 7.983 4.519 -3.124) 9.691 7.061 ( -1.052 1.919 0.501) 2.245 7.162 ( 9.055 4.832 -6.989) 12.417 7.382 ( 5.507 -0.390 -3.295) 6.429 7.732 ( -4.393 -0.821 4.297) 6.200 7.985 ( 3.038 -4.957 6.138) 8.455 8.211 ( 7.406 -7.395 11.972) 15.902 8.232 ( -7.755 4.722 -0.544) 9.096 8.702 ( 5.299 -0.583 6.848) 8.678 8.802 ( -1.679 3.576 -1.445) 4.206 8.918 ( -6.019 -5.600 0.788) 8.259 9.348 ( -3.173 -8.231 2.027) 9.051 9.490 ( -5.795 -0.856 0.016) 5.858 9.690 ( -1.794 -3.138 3.326) 4.913 9.935 ( -1.512 3.524 0.065) 3.835 10.056 ( -8.152 2.477 -7.036) 11.049 10.157 ( 3.906 4.678 6.851) 9.169 10.309 ( -3.474 -5.210 -13.986) 15.324 10.615 ( -0.892 -4.543 0.881) 4.712 10.657 ( -2.704 -4.351 -1.117) 5.243 10.746 ( 3.119 5.296 -1.680) 6.372 10.887 ( 3.889 1.178 -2.747) 4.905 11.149 ( 7.285 3.130 5.963) 9.921 11.252 ( 12.456 1.950 1.079) 12.654 11.534 ( 3.644 2.063 8.021) 9.048 11.757 ( 4.756 2.849 -2.420) 6.049 12.517 ( 0.487 1.022 1.925) 2.234 12.665 ( -0.015 1.844 -0.733) 1.985 12.743 ( 1.407 1.745 -6.648) 7.016 13.031 ( -5.847 11.129 -6.876) 14.329 13.627 ( 4.814 8.166 -12.286) 15.518 13.792 ( -5.184 1.483 2.527) 5.955 14.065 ( -3.170 -11.443 -0.312) 11.879 14.280 ( -2.238 -3.001 3.793) 5.329 14.572 ( 9.487 -13.954 4.452) 17.451 14.632 ( -12.030 6.050 1.354) 13.533 15.371 ( 5.469 4.243 1.148) 7.016 15.745 ( 0.044 -1.014 -0.112) 1.021 18.585 ( 0.530 -0.628 -1.279) 1.520 19.015 ( 9.752 -0.762 -1.075) 9.840 19.452 ( 4.029 4.080 -3.227) 6.580 19.780 ( -1.654 17.284 -4.933) 18.051 20.595 ( -5.134 2.133 -0.530) 5.585 20.819 ( -3.581 -21.067 4.581) 21.854 21.023 ( -2.421 1.021 -1.434) 2.994 21.268 ( 3.745 -7.931 14.319) 16.792 22.241 ( 0.573 5.815 2.301) 6.280 22.402 ( -3.367 -3.696 -1.722) 5.288 22.503 ( -2.089 2.801 -3.805) 5.166 22.640 ( 1.048 1.756 -3.415) 3.980 ======================= Grid point 97 (48/90) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -25.653 6.493 19.053) 32.608 3.194 ( -25.092 -9.727 3.011) 27.079 3.351 ( 7.830 -11.311 -1.396) 13.827 3.949 ( 6.760 -20.188 -19.634) 28.961 4.486 ( -32.685 -7.379 0.628) 33.514 5.111 ( -1.111 15.765 4.925) 16.554 5.282 ( 8.923 10.498 3.438) 14.200 5.615 ( 7.142 -1.357 2.961) 7.850 5.807 ( 6.290 10.307 -2.687) 12.371 6.372 ( -0.761 -4.294 4.825) 6.504 6.726 ( 5.514 -4.239 -5.524) 8.882 7.089 ( -3.671 -0.717 10.861) 11.488 7.226 ( 5.731 8.811 -10.919) 15.156 7.412 ( 6.737 4.808 -2.864) 8.758 7.756 ( 4.612 -4.139 0.287) 6.204 8.049 ( 3.262 -1.405 -1.639) 3.912 8.225 ( 0.449 7.024 -0.050) 7.039 8.400 ( 7.294 -9.428 9.173) 15.041 8.658 ( -6.817 -4.686 -6.193) 10.333 8.812 ( -5.168 -1.889 1.224) 5.636 8.888 ( 5.397 -3.117 9.875) 11.677 9.252 ( -4.161 -9.535 2.872) 10.792 9.321 ( -5.175 -5.406 -6.137) 9.678 9.632 ( -6.509 -7.105 0.027) 9.636 9.817 ( -2.556 -3.982 -9.727) 10.817 9.995 ( -5.796 10.607 -3.220) 12.509 10.012 ( -5.896 0.004 -6.362) 8.674 10.280 ( -0.904 0.399 2.595) 2.777 10.536 ( -3.918 2.484 -0.023) 4.639 10.635 ( 0.869 -1.220 1.657) 2.234 10.834 ( 3.866 -1.707 0.690) 4.282 10.991 ( 9.824 5.371 -1.546) 11.302 11.310 ( 4.069 3.920 -0.577) 5.679 11.440 ( 6.734 6.558 0.822) 9.436 11.733 ( 2.019 -1.697 13.995) 14.241 11.813 ( 3.574 -0.775 -1.445) 3.932 12.571 ( 2.685 1.445 2.515) 3.952 12.586 ( -6.845 3.171 -4.298) 8.682 12.815 ( 8.466 3.037 0.153) 8.995 12.953 ( -2.808 7.350 -7.115) 10.608 13.577 ( -1.493 1.157 -4.549) 4.926 13.788 ( -0.965 -0.933 0.372) 1.393 13.954 ( -0.961 -3.577 0.105) 3.705 14.248 ( -3.858 -2.568 1.989) 5.043 14.528 ( -8.887 1.652 2.935) 9.504 14.655 ( 8.678 -5.959 -1.358) 10.614 15.484 ( 2.383 6.529 0.340) 6.958 15.735 ( 1.332 -3.576 0.675) 3.875 18.617 ( 2.794 1.724 1.885) 3.786 19.167 ( 12.057 2.655 -3.580) 12.855 19.523 ( 4.249 5.000 0.274) 6.568 19.863 ( -0.573 15.116 -2.238) 15.292 20.502 ( -5.248 -1.654 -1.481) 5.698 20.645 ( -5.587 -15.844 4.670) 17.437 20.945 ( -1.548 -1.869 -6.980) 7.389 21.383 ( -0.122 -10.517 11.162) 15.337 22.260 ( -4.952 -2.306 -2.604) 6.051 22.355 ( -3.240 6.797 5.849) 9.535 22.474 ( 4.307 1.093 -4.970) 6.667 22.626 ( -0.205 0.584 -1.557) 1.676 ======================= Grid point 98 (49/90) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -36.997 1.601 4.578) 37.314 2.906 ( -22.012 2.081 23.428) 32.214 3.413 ( 18.336 -10.123 -6.473) 21.922 3.729 ( 13.792 -16.968 -14.432) 26.200 4.052 ( -32.347 -5.112 20.520) 38.646 5.233 ( -5.309 10.203 3.495) 12.021 5.542 ( 11.270 15.911 -4.431) 19.995 5.760 ( 11.226 0.934 -0.109) 11.265 6.002 ( 10.344 5.693 0.825) 11.836 6.320 ( -8.112 -5.276 4.681) 10.750 6.706 ( 7.720 -7.524 -1.588) 10.896 7.138 ( -3.805 -0.739 4.577) 5.998 7.319 ( 5.011 10.012 1.656) 11.318 7.539 ( 5.454 8.311 -5.577) 11.398 7.771 ( 7.871 -6.165 -4.542) 10.981 8.018 ( 1.393 -0.072 -6.765) 6.908 8.244 ( -0.862 4.482 -8.773) 9.889 8.399 ( -2.821 -1.358 -6.098) 6.855 8.460 ( -1.362 -14.668 -1.958) 14.861 8.761 ( -7.863 -5.448 9.581) 13.539 8.969 ( -1.608 -8.982 3.978) 9.954 9.129 ( -0.768 -14.065 -2.175) 14.253 9.256 ( 3.755 8.535 -1.924) 9.521 9.450 ( 0.090 -11.024 -0.072) 11.025 9.628 ( -7.566 1.619 -5.302) 9.380 9.911 ( -4.971 7.390 -0.053) 8.906 10.002 ( -6.136 7.018 0.586) 9.340 10.275 ( -2.798 -0.478 3.352) 4.393 10.558 ( 1.344 -1.953 0.877) 2.528 10.671 ( 1.972 2.890 1.848) 3.957 10.889 ( 6.244 -2.458 0.277) 6.716 11.156 ( 5.851 5.224 0.821) 7.887 11.321 ( -0.833 6.102 -7.487) 9.694 11.561 ( 0.655 6.161 0.848) 6.253 11.702 ( -5.264 -5.580 -3.919) 8.614 11.884 ( -2.198 1.687 4.004) 4.869 12.483 ( -4.061 -0.524 0.787) 4.170 12.681 ( 3.817 1.416 3.873) 5.619 12.929 ( 2.569 4.661 -4.187) 6.771 12.980 ( 6.324 2.028 3.003) 7.289 13.507 ( -4.525 -4.183 2.737) 6.743 13.734 ( -0.049 -2.278 -3.118) 3.862 14.019 ( 6.717 2.742 2.358) 7.629 14.200 ( -3.394 -1.059 2.922) 4.602 14.449 ( -4.526 2.047 -2.272) 5.463 14.694 ( 5.520 -6.131 -0.725) 8.281 15.545 ( -1.585 7.336 -1.581) 7.670 15.737 ( 1.377 -2.818 0.160) 3.140 18.735 ( 5.581 2.714 3.806) 7.280 19.264 ( 9.601 3.364 -11.017) 14.996 19.695 ( 5.362 7.706 5.753) 11.011 19.919 ( -2.673 7.679 -1.735) 8.314 20.410 ( -2.388 -6.974 2.254) 7.708 20.509 ( -7.668 -4.899 2.123) 9.344 20.828 ( 2.762 -1.580 -7.051) 7.736 21.305 ( -7.345 -13.429 1.190) 15.353 22.175 ( -6.549 1.752 4.003) 7.873 22.351 ( -4.167 1.607 -1.396) 4.680 22.587 ( 9.057 1.082 -1.648) 9.269 22.619 ( 0.493 0.942 3.707) 3.856 ======================= Grid point 101 (50/90) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -10.255 -0.311 25.363) 27.359 3.258 ( 27.316 -3.451 -2.422) 27.639 3.457 ( 0.669 2.133 17.559) 17.701 3.783 ( 10.620 -19.170 -6.612) 22.891 4.998 ( 15.229 -0.484 9.530) 17.972 5.097 ( -7.997 13.683 0.531) 15.858 5.465 ( 1.703 -8.681 -19.749) 21.640 5.600 ( -3.402 -8.869 -1.878) 9.683 6.222 ( 4.418 -1.267 -6.283) 7.785 6.427 ( 4.834 -0.595 3.605) 6.060 6.494 ( 1.929 -1.208 1.288) 2.615 6.875 ( -7.724 1.780 -6.992) 10.569 7.211 ( -11.109 6.367 -15.857) 20.381 7.502 ( -6.790 5.424 4.182) 9.644 7.688 ( 3.177 -2.089 -1.672) 4.154 7.761 ( -3.194 -7.127 9.315) 12.156 8.082 ( -1.619 9.273 6.362) 11.362 8.235 ( 4.196 -0.468 -0.693) 4.278 8.466 ( 1.838 0.643 7.420) 7.671 8.885 ( 0.579 -2.233 0.310) 2.328 9.018 ( 7.413 6.622 4.516) 10.918 9.134 ( -5.275 2.843 5.059) 7.842 9.357 ( -0.659 3.740 7.045) 8.003 9.478 ( 2.715 -13.676 0.760) 13.963 9.749 ( -1.214 -0.208 6.549) 6.664 9.990 ( 2.181 5.382 4.815) 7.544 10.176 ( 5.079 3.344 -6.747) 9.083 10.434 ( -3.222 2.933 3.912) 5.856 10.563 ( 3.671 -4.481 3.593) 6.817 10.674 ( -2.933 -1.923 -4.380) 5.611 10.908 ( -4.690 -1.594 3.430) 6.025 11.062 ( -2.470 -0.990 1.849) 3.240 11.230 ( -1.682 -2.659 -6.395) 7.127 11.349 ( 1.943 6.382 -12.119) 13.834 11.477 ( -13.383 -3.380 -1.138) 13.850 11.647 ( -1.545 6.516 -2.658) 7.205 12.685 ( 3.684 2.213 -2.329) 4.888 12.696 ( -5.195 1.587 -2.572) 6.010 12.765 ( -2.770 0.135 -2.307) 3.607 13.137 ( 3.309 7.534 -4.492) 9.375 13.378 ( -2.734 5.722 -1.643) 6.550 13.904 ( 5.074 -7.748 -2.079) 9.492 14.119 ( 5.407 -12.450 4.420) 14.275 14.184 ( 1.798 -3.201 2.066) 4.213 14.499 ( 6.121 -1.716 -1.619) 6.560 14.953 ( 2.135 -0.713 5.416) 5.865 15.305 ( -7.583 8.081 -3.955) 11.766 15.641 ( -3.530 -0.485 1.339) 3.806 18.693 ( 0.895 -3.687 -4.127) 5.606 19.211 ( -9.259 -7.090 -12.123) 16.821 19.407 ( -1.842 6.351 1.903) 6.881 19.735 ( 0.084 13.904 -6.620) 15.399 20.442 ( 2.299 -0.375 0.421) 2.367 20.775 ( 2.353 -6.321 6.921) 9.663 21.017 ( -2.699 -0.442 12.756) 13.046 21.220 ( 7.091 -6.080 2.731) 9.732 22.159 ( 0.129 3.106 -0.577) 3.162 22.392 ( -5.149 5.411 3.175) 8.116 22.600 ( -1.034 -1.385 0.391) 1.772 22.690 ( 6.856 -3.482 -6.825) 10.281 ======================= Grid point 102 (51/90) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -8.125 -8.634 20.292) 23.502 3.569 ( 19.760 -0.459 -2.173) 19.884 3.629 ( 6.148 -20.064 -5.424) 21.675 3.823 ( 8.258 9.070 16.968) 20.938 4.975 ( -5.926 -9.761 -8.065) 13.980 5.143 ( -1.460 9.349 -7.503) 12.076 5.381 ( 6.826 4.950 -6.076) 10.393 5.539 ( 0.282 -9.913 7.541) 12.459 6.001 ( -9.057 -12.036 -3.524) 15.469 6.442 ( 0.102 5.655 -8.722) 10.395 6.569 ( 1.457 6.746 -2.484) 7.335 6.860 ( 4.158 4.394 0.193) 6.052 6.987 ( -5.659 6.454 -7.210) 11.210 7.440 ( -10.213 -0.175 4.554) 11.184 7.670 ( -0.324 -8.245 9.153) 12.323 7.949 ( 10.404 -5.040 6.060) 13.053 8.167 ( -0.319 1.629 3.923) 4.260 8.250 ( -0.341 3.622 -2.522) 4.427 8.551 ( 2.533 0.343 3.321) 4.190 8.818 ( -3.342 -4.458 -0.020) 5.572 9.122 ( -3.328 -1.970 7.439) 8.384 9.248 ( 8.994 0.837 3.738) 9.775 9.465 ( 0.826 2.414 2.328) 3.453 9.566 ( 3.554 11.494 7.296) 14.070 9.850 ( 2.261 1.083 5.271) 5.837 10.080 ( -0.273 1.189 -0.992) 1.573 10.156 ( 1.186 0.870 -5.887) 6.068 10.435 ( -2.069 -0.498 3.512) 4.107 10.571 ( -0.198 1.955 -2.624) 3.278 10.636 ( 5.278 -6.787 -0.929) 8.648 10.843 ( -5.606 -0.887 1.773) 5.947 11.003 ( -6.942 -5.700 0.353) 8.989 11.043 ( -2.208 -9.237 -2.860) 9.918 11.239 ( -10.323 0.786 -4.805) 11.413 11.360 ( 1.381 5.480 -1.287) 5.796 11.694 ( 0.152 9.010 -1.231) 9.095 12.547 ( -3.535 -1.890 -3.941) 5.621 12.666 ( -4.310 1.177 -0.670) 4.518 12.789 ( 2.523 3.585 -3.371) 5.530 13.182 ( 1.339 10.427 -5.764) 11.989 13.435 ( 2.616 14.988 -4.599) 15.894 13.807 ( 2.873 -3.131 -12.066) 12.793 14.183 ( 8.160 -12.991 5.621) 16.339 14.219 ( 1.102 -6.428 4.941) 8.182 14.485 ( -2.696 -7.301 2.198) 8.087 15.023 ( 4.092 -2.847 2.396) 5.531 15.203 ( -10.736 4.605 0.462) 11.691 15.669 ( 1.811 3.205 1.855) 4.123 18.637 ( 0.223 -3.352 -1.877) 3.849 18.941 ( -3.857 -3.614 -8.598) 10.092 19.413 ( -3.576 4.914 -0.527) 6.100 19.790 ( -0.431 16.674 -6.656) 17.959 20.504 ( 4.999 -0.519 1.812) 5.343 20.883 ( 6.454 -5.948 7.918) 11.821 21.042 ( -3.286 -7.614 3.277) 8.917 21.251 ( -2.193 -7.912 8.672) 11.942 22.191 ( -0.060 4.777 -0.208) 4.782 22.413 ( -1.235 4.805 -0.247) 4.967 22.581 ( 0.843 -1.731 -0.736) 2.061 22.668 ( 1.738 -0.324 -4.419) 4.760 ======================= Grid point 103 (52/90) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -4.460 -13.831 9.504) 17.364 3.496 ( -2.420 -8.937 2.469) 9.582 3.812 ( 10.654 -2.962 3.793) 11.691 4.083 ( 5.742 -2.096 -1.969) 6.422 4.742 ( -3.208 -7.542 -2.821) 8.668 5.164 ( 2.795 9.825 -7.231) 12.515 5.291 ( 0.473 -2.195 -8.889) 9.168 5.465 ( -9.792 2.726 -1.808) 10.324 5.882 ( -1.124 -7.450 5.341) 9.235 6.421 ( -0.760 3.851 -1.672) 4.266 6.568 ( -4.080 14.111 -5.301) 15.616 6.917 ( 5.153 8.437 -7.405) 12.352 7.026 ( 2.738 -0.664 5.633) 6.298 7.361 ( -7.008 -4.808 6.935) 10.969 7.732 ( 3.273 -10.086 9.544) 14.266 8.024 ( 5.171 -5.030 -0.276) 7.219 8.139 ( -8.241 -3.060 5.636) 10.442 8.326 ( 7.468 3.255 -3.209) 8.755 8.626 ( -1.132 -2.807 5.915) 6.644 8.792 ( 0.295 2.268 1.172) 2.570 9.118 ( -4.384 -5.161 3.616) 7.676 9.333 ( 3.206 -4.313 -1.483) 5.575 9.550 ( 1.917 0.584 3.740) 4.243 9.737 ( -1.269 7.435 -0.628) 7.569 9.949 ( 0.160 7.067 1.945) 7.331 9.998 ( 0.415 -1.167 -2.192) 2.518 10.195 ( 7.435 -1.156 -1.101) 7.605 10.415 ( -5.413 -2.000 3.802) 6.910 10.496 ( -0.252 -5.880 -4.832) 7.615 10.635 ( 2.290 -1.228 -3.287) 4.190 10.786 ( 3.135 -11.741 -8.556) 14.862 10.903 ( -1.352 7.239 4.162) 8.459 11.009 ( -1.595 1.407 1.913) 2.861 11.068 ( -6.619 -1.618 3.618) 7.715 11.460 ( 1.703 3.348 7.179) 8.103 11.733 ( -1.488 8.038 -3.071) 8.732 12.490 ( 0.550 -0.186 -0.460) 0.741 12.625 ( -0.839 1.040 -1.291) 1.858 12.787 ( -1.317 4.219 -2.880) 5.276 13.203 ( -2.592 12.926 -6.683) 14.780 13.509 ( 2.722 10.317 -10.698) 15.110 13.743 ( 5.519 10.158 -9.978) 15.271 14.179 ( -3.478 -11.193 2.400) 11.964 14.255 ( 9.794 -12.999 2.865) 16.526 14.407 ( -5.305 -8.775 7.589) 12.757 15.027 ( -9.861 -0.402 4.521) 10.856 15.168 ( 4.951 1.088 0.241) 5.074 15.736 ( 1.182 2.048 0.643) 2.450 18.601 ( -1.137 -1.323 0.575) 1.836 18.837 ( 2.235 0.160 -4.564) 5.085 19.400 ( -1.298 4.161 -1.535) 4.621 19.834 ( -1.659 17.269 -6.489) 18.522 20.600 ( 4.791 -0.449 1.307) 4.986 20.904 ( -2.674 -16.165 0.023) 16.385 21.008 ( 4.630 -4.519 3.458) 7.336 21.270 ( -4.569 -6.751 14.551) 16.679 22.231 ( 0.003 5.714 -0.462) 5.733 22.410 ( 0.605 0.181 -2.823) 2.893 22.581 ( 0.719 -0.291 -0.202) 0.801 22.627 ( -1.553 2.867 -4.298) 5.395 ======================= Grid point 105 (53/90) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 0.580 -18.987 -2.611) 19.174 3.466 ( -9.018 1.370 11.140) 14.398 3.797 ( -3.691 -15.591 -11.814) 19.907 3.928 ( -6.006 -10.869 0.273) 12.421 4.745 ( 4.861 8.709 -2.466) 10.274 5.045 ( -1.785 -0.909 -13.826) 13.970 5.323 ( 1.770 8.803 0.383) 8.987 5.459 ( 1.715 6.777 4.918) 8.547 5.885 ( -4.338 -1.263 6.996) 8.328 6.355 ( -5.186 2.597 -4.054) 7.076 6.620 ( 1.345 6.220 0.142) 6.365 7.009 ( 8.066 8.809 -5.601) 13.192 7.123 ( 1.733 -0.753 7.927) 8.150 7.317 ( -2.340 -2.559 0.970) 3.601 7.801 ( 0.497 -3.448 5.139) 6.208 8.029 ( -5.003 -7.446 4.559) 10.063 8.126 ( 7.486 -7.148 4.992) 11.492 8.355 ( -3.618 -0.088 0.841) 3.716 8.637 ( 4.662 -2.990 -4.590) 7.193 8.806 ( -1.018 0.523 1.891) 2.211 9.016 ( -7.465 -2.792 2.317) 8.301 9.306 ( 0.399 -5.600 1.106) 5.722 9.559 ( -5.765 -1.904 -2.438) 6.543 9.662 ( -0.709 -5.231 -1.416) 5.465 9.865 ( 0.118 -9.442 -8.969) 13.024 10.050 ( 0.053 2.028 -6.238) 6.560 10.249 ( -1.959 -0.424 1.647) 2.594 10.334 ( -7.185 8.472 1.167) 11.169 10.494 ( 7.949 -6.591 -0.690) 10.350 10.633 ( 1.695 3.193 -5.334) 6.444 10.739 ( 5.779 1.372 5.112) 7.837 10.872 ( -4.403 -1.449 -0.016) 4.635 11.094 ( 5.768 -2.925 5.371) 8.407 11.202 ( 6.316 10.480 4.799) 13.144 11.634 ( 3.595 0.162 12.184) 12.705 11.723 ( -0.756 5.206 -3.802) 6.490 12.521 ( 1.493 1.381 0.378) 2.069 12.634 ( 2.855 2.395 -1.654) 4.077 12.759 ( -4.183 5.440 -1.773) 7.088 13.147 ( -6.973 11.234 -7.545) 15.223 13.477 ( 3.695 9.430 -12.420) 16.026 13.833 ( 3.213 8.076 -3.803) 9.488 14.027 ( -4.415 -11.519 0.843) 12.365 14.306 ( 2.233 -9.688 3.904) 10.681 14.380 ( 4.070 -6.360 2.534) 7.965 14.909 ( -14.021 1.564 4.896) 14.933 15.299 ( 9.565 0.662 1.234) 9.667 15.745 ( -0.984 -0.843 0.185) 1.309 18.601 ( -1.533 1.520 2.762) 3.506 18.883 ( 6.967 3.951 -2.654) 8.437 19.420 ( 1.827 3.219 -0.368) 3.719 19.888 ( -0.908 17.045 -4.956) 17.774 20.617 ( -1.083 0.181 -5.414) 5.525 20.736 ( -1.326 -20.036 5.066) 20.709 20.998 ( -1.400 -4.487 -1.939) 5.084 21.374 ( -0.049 -7.883 16.540) 18.323 22.261 ( 0.650 2.393 -2.230) 3.335 22.380 ( 0.708 -0.104 -3.173) 3.253 22.545 ( -4.685 2.803 -2.106) 5.851 22.616 ( 1.549 2.966 -1.012) 3.495 ======================= Grid point 106 (54/90) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 8.566 -20.240 -10.750) 24.466 3.335 ( 0.934 -20.458 -16.549) 26.330 3.557 ( -14.182 6.467 10.570) 18.833 3.701 ( -21.110 -6.733 8.243) 23.642 4.692 ( -6.611 1.327 -9.790) 11.888 5.048 ( 9.862 7.278 -1.999) 12.418 5.428 ( 3.943 5.190 -0.768) 6.562 5.656 ( 0.638 5.235 11.539) 12.687 5.873 ( -6.193 8.497 0.569) 10.530 6.310 ( 5.583 -0.390 -2.568) 6.157 6.677 ( -1.200 -1.715 4.470) 4.936 7.126 ( 3.355 5.222 -1.784) 6.459 7.267 ( 2.026 1.797 -0.375) 2.734 7.291 ( 4.371 4.433 5.356) 8.212 7.753 ( -6.491 -1.650 -1.451) 6.853 7.975 ( -0.144 -9.397 4.161) 10.279 8.214 ( 8.213 -5.490 -3.768) 10.573 8.306 ( -3.263 -1.387 2.356) 4.257 8.545 ( 1.816 -4.301 -9.284) 10.392 8.917 ( 3.622 -0.725 8.577) 9.338 8.967 ( -5.637 2.376 7.233) 9.474 9.219 ( -5.792 -10.169 -1.090) 11.753 9.327 ( -9.164 -6.077 -3.846) 11.649 9.586 ( -5.045 -13.462 -9.727) 17.358 9.686 ( 4.337 -2.253 -1.279) 5.052 9.921 ( -0.705 -1.730 -7.352) 7.586 10.209 ( -4.033 3.624 1.092) 5.531 10.383 ( -4.146 5.277 2.325) 7.102 10.483 ( 4.455 -2.285 -3.852) 6.317 10.727 ( -1.957 6.263 5.724) 8.708 10.818 ( 0.036 -2.412 -0.180) 2.419 10.908 ( 5.670 7.032 2.605) 9.401 11.238 ( 7.374 -1.027 1.629) 7.622 11.425 ( 6.844 8.094 2.973) 11.008 11.719 ( 2.831 -3.041 -1.113) 4.301 11.834 ( 3.773 0.317 9.034) 9.795 12.541 ( 2.060 3.607 -3.589) 5.489 12.685 ( -1.462 3.327 -0.904) 3.745 12.744 ( 0.866 4.706 0.728) 4.840 13.040 ( -6.855 8.947 -5.028) 12.342 13.504 ( 4.882 8.137 -6.124) 11.294 13.776 ( -3.570 -10.433 -0.956) 11.068 13.964 ( -0.484 -0.268 0.967) 1.114 14.253 ( -1.897 -4.466 -0.566) 4.885 14.472 ( 9.099 -2.360 0.083) 9.400 14.766 ( -14.007 1.490 2.762) 14.354 15.469 ( 8.120 3.381 2.070) 9.036 15.714 ( -1.402 -3.001 0.841) 3.417 18.652 ( -0.083 3.655 4.149) 5.529 18.999 ( 8.161 6.544 -6.029) 12.074 19.521 ( 5.356 3.353 5.226) 8.200 19.973 ( -0.300 14.934 -2.547) 15.152 20.472 ( -2.288 -6.456 -5.221) 8.613 20.654 ( -1.602 -12.005 4.699) 12.991 20.861 ( -4.840 -5.619 -6.098) 9.601 21.469 ( -3.139 -9.972 12.248) 16.103 22.231 ( 1.385 -0.564 -4.000) 4.271 22.343 ( 2.172 -1.010 -6.138) 6.589 22.510 ( -3.115 4.357 1.223) 5.494 22.668 ( -0.837 4.311 3.080) 5.364 ======================= Grid point 107 (55/90) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 18.721 -15.596 -13.105) 27.667 3.085 ( 17.944 -22.383 -13.490) 31.702 3.266 ( -32.129 4.078 3.183) 32.543 3.634 ( -17.722 -1.295 18.640) 25.753 4.580 ( -8.886 4.848 9.711) 14.028 5.174 ( 8.903 -0.329 -8.973) 12.644 5.511 ( 7.733 6.291 -5.733) 11.500 5.710 ( -5.266 3.222 2.970) 6.850 5.953 ( 4.637 8.441 -2.451) 9.937 6.447 ( 0.472 4.099 6.689) 7.859 6.621 ( -4.028 -8.989 6.135) 11.604 7.183 ( 2.849 6.322 1.103) 7.022 7.366 ( 9.896 -0.053 -1.125) 9.960 7.458 ( 3.671 6.667 -3.901) 8.553 7.647 ( -4.263 0.545 3.200) 5.359 7.913 ( 1.040 -7.529 -2.767) 8.089 8.199 ( -2.299 7.474 -8.404) 11.479 8.249 ( 0.566 -10.596 0.147) 10.612 8.464 ( -3.333 2.722 -2.231) 4.847 8.908 ( -4.707 -17.614 3.466) 18.559 8.941 ( -8.332 -3.481 1.073) 9.093 9.076 ( -5.184 -9.501 -0.010) 10.823 9.215 ( 3.227 4.968 -1.099) 6.025 9.372 ( 2.334 -4.745 -0.667) 5.330 9.674 ( -2.310 -1.678 0.929) 3.002 9.950 ( 6.168 1.018 4.548) 7.731 10.203 ( -3.707 2.484 0.770) 4.528 10.364 ( -4.548 3.430 1.276) 5.838 10.471 ( 1.031 -3.560 -3.362) 5.004 10.751 ( -2.823 2.202 2.400) 4.310 10.838 ( -0.135 -0.051 2.965) 2.969 11.096 ( 8.806 7.116 -0.437) 11.330 11.282 ( 1.262 5.174 -5.848) 7.910 11.602 ( 3.761 5.369 3.205) 7.297 11.651 ( -2.726 -5.616 -5.641) 8.414 11.940 ( 1.061 -0.689 2.784) 3.059 12.534 ( -3.216 -0.319 -2.737) 4.235 12.679 ( 2.468 3.683 0.676) 4.485 12.847 ( 5.489 3.897 -0.211) 6.735 13.039 ( -0.944 6.468 2.773) 7.101 13.547 ( -2.065 -2.997 0.734) 3.713 13.653 ( 2.129 -3.343 -2.641) 4.763 13.982 ( 2.244 -2.945 3.051) 4.798 14.200 ( 1.489 -0.055 -3.308) 3.628 14.577 ( 4.772 -1.609 2.377) 5.569 14.592 ( -11.786 2.195 -2.145) 12.179 15.603 ( 0.247 5.699 -0.120) 5.705 15.693 ( 2.312 -3.172 1.386) 4.163 18.757 ( 1.907 4.415 4.542) 6.615 19.056 ( 6.801 5.810 -10.150) 13.529 19.747 ( 6.504 5.560 8.444) 12.021 20.005 ( -4.734 4.878 -2.134) 7.124 20.402 ( 0.969 -1.310 0.807) 1.818 20.603 ( -2.601 -6.219 4.318) 8.005 20.648 ( -0.457 -5.300 -9.458) 10.851 21.362 ( -10.767 -11.745 2.772) 16.173 22.251 ( 0.718 0.340 2.640) 2.757 22.296 ( 5.788 -1.315 -7.089) 9.246 22.533 ( 0.285 2.632 0.570) 2.708 22.716 ( -3.828 2.959 4.647) 6.709 ======================= Grid point 111 (56/90) ======================= q-point: ( 0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 35.159 -3.770 -3.897) 35.575 3.136 ( 22.903 -23.236 -7.697) 33.522 3.589 ( -11.922 -0.627 18.914) 22.367 3.829 ( -8.681 2.809 12.432) 15.421 4.669 ( 35.716 -5.800 8.201) 37.102 5.120 ( 8.792 -0.659 -17.688) 19.763 5.271 ( -13.549 -0.051 -8.689) 16.096 5.619 ( -7.550 -0.204 -1.243) 7.655 6.131 ( 6.060 6.733 -0.050) 9.059 6.398 ( 6.213 -1.705 7.507) 9.893 6.553 ( -8.809 -2.154 -0.365) 9.076 6.965 ( -10.422 2.435 -3.062) 11.132 7.287 ( -12.300 5.251 -10.227) 16.836 7.548 ( 4.446 0.221 -2.919) 5.323 7.698 ( -6.391 2.350 -0.879) 6.866 7.927 ( -7.168 -4.067 10.688) 13.496 8.143 ( -0.660 3.396 -2.433) 4.229 8.312 ( -0.759 3.941 10.474) 11.217 8.463 ( 2.159 0.543 1.740) 2.826 8.876 ( -1.434 -2.156 0.525) 2.642 9.019 ( 4.973 2.497 3.899) 6.795 9.207 ( -1.116 -15.760 -0.550) 15.809 9.352 ( 6.887 -0.202 3.487) 7.723 9.442 ( 3.301 4.764 5.486) 7.981 9.785 ( 3.308 1.821 1.899) 4.227 10.066 ( 4.556 2.937 -2.540) 5.987 10.183 ( -4.884 5.918 6.813) 10.261 10.445 ( 3.588 -5.397 -2.430) 6.922 10.518 ( -2.673 -2.521 0.156) 3.677 10.562 ( 4.148 -3.295 -4.181) 6.749 10.992 ( -4.879 -0.169 0.512) 4.908 11.124 ( 0.628 -1.132 4.795) 4.966 11.224 ( -2.272 1.802 -9.372) 9.810 11.302 ( -7.067 9.380 -2.554) 12.019 11.596 ( -7.813 -6.437 0.463) 10.134 11.706 ( -2.305 5.711 -0.518) 6.180 12.607 ( 3.338 -0.684 -4.563) 5.695 12.688 ( 2.006 1.594 -1.527) 2.983 12.828 ( -5.085 2.019 -1.586) 5.696 13.093 ( -0.006 6.368 -5.923) 8.697 13.446 ( -0.866 -0.112 3.757) 3.857 13.730 ( 1.610 0.147 -9.637) 9.772 14.022 ( 4.396 -8.649 5.807) 11.307 14.226 ( -3.540 0.819 0.710) 3.702 14.357 ( 9.265 -2.860 1.220) 9.773 14.970 ( 0.874 -4.578 4.453) 6.446 15.414 ( -3.898 9.161 -3.670) 10.611 15.698 ( -3.621 -2.578 1.922) 4.842 18.638 ( -0.636 -0.886 -1.545) 1.891 19.154 ( -10.289 -6.862 -10.993) 16.547 19.548 ( -3.698 11.050 2.131) 11.846 19.806 ( -2.282 14.315 -3.719) 14.965 20.364 ( 4.290 -4.794 -0.963) 6.505 20.724 ( 4.464 -10.758 4.488) 12.482 21.038 ( 3.525 -2.923 -1.554) 4.836 21.297 ( -1.320 -1.085 16.914) 17.000 22.166 ( 2.758 2.743 -0.793) 3.970 22.428 ( 5.345 -5.756 -7.584) 10.919 22.500 ( -0.974 2.351 0.983) 2.728 22.675 ( -2.564 3.079 1.868) 4.421 ======================= Grid point 112 (57/90) ======================= q-point: ( 0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 28.220 -8.005 -0.538) 29.338 3.226 ( 23.950 -9.988 -2.102) 26.034 3.481 ( -13.467 -16.666 11.170) 24.164 3.995 ( -1.048 11.617 6.127) 13.175 4.901 ( -5.747 -2.048 -9.682) 11.444 5.013 ( 8.430 0.576 -11.092) 13.943 5.246 ( 10.396 1.275 2.677) 10.811 5.577 ( -0.877 -1.163 6.884) 7.036 6.022 ( -10.415 -10.957 -3.733) 15.571 6.436 ( -2.764 10.611 -7.249) 13.145 6.604 ( 3.966 4.405 6.982) 9.159 6.923 ( -3.689 9.885 1.043) 10.602 7.084 ( -8.225 0.605 -1.709) 8.422 7.566 ( 3.534 -4.607 -1.414) 5.976 7.685 ( 0.457 3.329 3.233) 4.663 7.872 ( -5.361 -12.637 8.472) 16.131 8.138 ( 0.483 5.590 -6.049) 8.251 8.338 ( -2.648 -5.516 5.219) 8.042 8.625 ( -1.330 6.348 6.574) 9.235 8.719 ( 3.035 -9.286 -2.739) 10.146 9.088 ( 3.075 -4.363 1.002) 5.432 9.244 ( 5.171 -1.361 3.080) 6.171 9.455 ( 4.645 0.767 -0.368) 4.722 9.607 ( 7.685 2.072 2.229) 8.266 9.879 ( 4.889 -0.360 2.898) 5.694 10.103 ( -0.293 3.240 -2.495) 4.099 10.190 ( -9.840 4.831 -4.625) 11.898 10.401 ( 4.710 0.892 0.554) 4.825 10.470 ( 0.866 -6.585 0.269) 6.647 10.579 ( 2.342 -0.085 -1.621) 2.849 10.904 ( -4.414 -1.314 -2.682) 5.330 11.041 ( -10.035 -5.303 -3.066) 11.757 11.115 ( -4.466 -0.614 3.885) 5.951 11.272 ( -4.645 6.615 -3.203) 8.694 11.497 ( -5.137 -2.252 8.775) 10.414 11.763 ( -0.759 7.528 1.358) 7.687 12.526 ( -1.402 -1.669 -3.737) 4.326 12.706 ( -2.624 -0.774 -2.475) 3.689 12.792 ( 0.070 5.581 -0.130) 5.583 13.098 ( 5.193 8.189 -9.228) 13.386 13.480 ( -0.707 8.883 -4.100) 9.809 13.674 ( 1.291 5.989 -5.822) 8.452 14.040 ( 3.518 -8.538 1.806) 9.409 14.223 ( 0.090 -5.400 2.930) 6.144 14.462 ( 4.098 -5.019 4.715) 8.013 14.948 ( 1.913 -7.604 0.134) 7.842 15.385 ( -7.626 5.359 0.514) 9.335 15.693 ( 0.623 0.857 2.079) 2.333 18.628 ( -0.804 0.184 2.079) 2.237 18.886 ( -5.366 -1.613 -8.056) 9.813 19.536 ( -7.359 6.102 -0.053) 9.560 19.877 ( -1.581 17.459 -4.942) 18.214 20.408 ( 7.205 -3.581 0.700) 8.076 20.788 ( 7.617 -10.580 5.156) 14.019 20.978 ( -0.064 -7.951 -2.871) 8.454 21.420 ( -4.715 -5.907 15.047) 16.839 22.216 ( 2.087 5.334 -2.132) 6.112 22.367 ( 3.260 -3.779 -4.812) 6.932 22.521 ( 1.000 0.951 -0.767) 1.579 22.691 ( -2.441 4.285 0.341) 4.943 ======================= Grid point 113 (58/90) ======================= q-point: ( 0.50 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -9.886 -22.171 2.275) 24.382 3.346 ( 16.277 -7.650 3.818) 18.387 3.620 ( 22.603 1.583 5.555) 23.329 3.948 ( -5.795 -4.459 -14.455) 16.199 4.771 ( -3.569 2.530 0.313) 4.386 5.058 ( 10.118 4.478 -5.278) 12.259 5.224 ( -8.442 1.092 -5.571) 10.173 5.615 ( -6.994 2.322 0.692) 7.402 5.836 ( 2.319 -7.107 0.174) 7.478 6.446 ( 1.119 5.897 -1.012) 6.087 6.743 ( -3.851 14.525 1.174) 15.073 6.915 ( -3.692 8.619 -5.023) 10.637 7.075 ( 0.429 -1.966 7.986) 8.235 7.528 ( -8.580 -6.523 6.598) 12.637 7.737 ( 2.186 -8.483 10.448) 13.634 7.867 ( 6.155 -1.644 -1.747) 6.606 8.100 ( 5.107 -5.332 -7.959) 10.856 8.303 ( -3.199 0.656 1.523) 3.603 8.686 ( 8.128 -6.717 6.778) 12.535 8.789 ( -4.041 1.768 4.549) 6.336 9.097 ( 1.926 -5.907 1.692) 6.440 9.290 ( 1.346 -1.434 -0.876) 2.153 9.511 ( 6.335 -2.839 -1.764) 7.163 9.719 ( 5.757 0.836 -5.331) 7.890 9.932 ( -10.213 -5.129 -4.673) 12.347 9.966 ( 8.342 -7.716 0.063) 11.363 10.082 ( -1.940 8.020 -7.681) 11.273 10.446 ( 1.465 -0.587 0.888) 1.811 10.536 ( 4.411 1.103 -1.869) 4.916 10.564 ( -3.688 4.557 2.038) 6.207 10.711 ( -9.814 -6.053 -0.271) 11.534 10.961 ( 0.927 1.519 0.296) 1.804 11.112 ( -4.453 2.040 3.748) 6.167 11.194 ( -6.613 2.146 3.118) 7.620 11.575 ( 0.109 -1.551 10.107) 10.226 11.805 ( -3.212 6.005 0.093) 6.811 12.496 ( -0.150 1.343 1.366) 1.921 12.633 ( -2.205 -0.610 -1.255) 2.610 12.828 ( -0.839 6.350 -2.148) 6.756 13.153 ( 7.393 9.807 -10.893) 16.416 13.449 ( -1.425 10.244 -9.364) 13.952 13.740 ( 0.205 15.464 -2.710) 15.701 14.056 ( 6.851 -11.010 1.832) 13.097 14.169 ( -2.700 -8.970 1.972) 9.573 14.476 ( -3.181 -8.392 5.459) 10.505 14.976 ( 10.080 -4.358 -0.329) 10.986 15.295 ( -10.952 1.559 2.622) 11.369 15.742 ( 1.283 1.234 0.818) 1.959 18.664 ( -2.004 2.063 5.170) 5.916 18.780 ( 0.097 3.368 -4.287) 5.452 19.474 ( -6.013 4.573 -0.728) 7.590 19.917 ( -1.429 15.146 -6.694) 16.621 20.510 ( 6.969 -1.257 0.644) 7.111 20.780 ( -0.134 -15.080 -0.190) 15.081 20.942 ( 4.907 -6.057 2.510) 8.189 21.445 ( -4.631 -9.580 13.081) 16.863 22.260 ( 0.273 5.271 -2.156) 5.702 22.345 ( 2.641 -1.252 -2.700) 3.980 22.535 ( 2.423 1.516 -1.829) 3.393 22.666 ( -3.635 3.001 -2.223) 5.212 ======================= Grid point 114 (59/90) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -7.537 -26.962 -4.618) 28.374 3.436 ( -8.720 -18.909 -26.074) 33.368 3.613 ( 9.029 3.302 8.435) 12.790 3.976 ( 10.288 -0.747 9.992) 14.361 4.804 ( -2.185 6.517 -0.789) 6.919 4.955 ( -9.621 2.446 -12.299) 15.805 5.196 ( 10.012 -1.304 -4.194) 10.933 5.593 ( -0.419 8.382 2.228) 8.683 5.906 ( 6.012 0.288 5.243) 7.982 6.421 ( -6.068 -1.462 -3.122) 6.979 6.770 ( -8.400 12.578 1.626) 15.212 6.931 ( 5.066 7.765 -4.717) 10.402 7.188 ( 2.168 2.968 6.718) 7.658 7.424 ( -8.795 -4.152 6.673) 11.795 7.872 ( -3.245 -4.009 10.132) 11.369 7.911 ( 9.069 -6.331 -2.011) 11.242 8.036 ( 9.057 -5.858 -5.691) 12.196 8.316 ( 1.139 -0.034 1.466) 1.857 8.645 ( -14.704 -6.634 2.667) 16.351 8.861 ( 4.489 -0.006 6.874) 8.210 9.101 ( -0.722 -4.297 6.238) 7.610 9.299 ( 2.880 0.351 -0.914) 3.041 9.490 ( 2.137 -8.032 -6.599) 10.613 9.621 ( -5.311 -6.082 -4.311) 9.153 9.704 ( -5.559 -7.198 -5.860) 10.819 9.971 ( -2.171 1.345 -11.213) 11.500 10.089 ( 15.783 -5.535 -4.401) 17.294 10.379 ( -2.011 -4.660 -2.782) 5.788 10.526 ( -5.493 3.784 2.247) 7.038 10.613 ( 2.457 7.943 0.355) 8.322 10.766 ( 4.292 2.776 10.450) 11.633 10.962 ( -3.629 1.538 1.216) 4.125 11.104 ( -2.025 -1.171 4.324) 4.916 11.270 ( 2.760 6.390 4.625) 8.357 11.683 ( 1.706 -2.462 5.640) 6.386 11.787 ( -3.221 2.897 1.740) 4.668 12.542 ( -1.577 3.007 0.828) 3.495 12.610 ( 1.904 0.795 -0.773) 2.203 12.834 ( -1.945 7.651 -2.244) 8.207 13.174 ( 1.799 8.139 -9.785) 12.854 13.429 ( -0.771 11.820 -6.039) 13.296 13.807 ( 0.061 7.442 -5.148) 9.050 14.008 ( -2.436 -9.860 1.443) 10.258 14.179 ( 7.078 -3.123 3.647) 8.552 14.386 ( -4.166 -7.974 1.204) 9.077 15.134 ( 11.060 -1.947 -1.143) 11.288 15.169 ( -10.213 1.225 5.374) 11.605 15.757 ( -0.603 -1.070 0.938) 1.545 18.713 ( -2.168 3.091 4.552) 5.914 18.833 ( 2.207 8.640 -0.237) 8.921 19.445 ( -1.444 3.434 0.685) 3.788 19.951 ( 1.130 13.198 -6.280) 14.660 20.531 ( -0.248 -1.818 -6.866) 7.107 20.659 ( 0.106 -15.067 5.446) 16.021 20.957 ( 0.361 -6.371 0.328) 6.390 21.489 ( 0.365 -10.533 13.869) 17.419 22.230 ( -1.715 0.646 -5.961) 6.237 22.328 ( -0.029 -1.101 -2.517) 2.747 22.589 ( 0.325 0.346 0.507) 0.695 22.620 ( 1.047 7.996 -2.412) 8.417 ======================= Grid point 115 (60/90) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -1.255 -29.031 -10.863) 31.022 2.819 ( -0.736 -24.659 -27.376) 36.852 3.904 ( 2.066 9.923 13.054) 16.527 4.071 ( -15.971 -2.384 10.212) 19.106 4.600 ( -2.865 2.672 -13.737) 14.285 4.870 ( 10.964 -10.852 -12.541) 19.881 5.266 ( 7.126 2.045 -2.514) 7.828 5.776 ( 5.349 13.085 2.987) 14.448 6.104 ( -3.165 4.853 12.604) 13.872 6.250 ( -1.909 2.465 -4.819) 5.739 6.800 ( -4.759 6.835 5.081) 9.756 7.038 ( 7.652 4.139 -2.972) 9.193 7.301 ( 0.104 5.791 -2.006) 6.129 7.385 ( -6.016 -0.491 7.945) 9.978 7.695 ( 1.498 -7.177 -12.629) 14.603 8.029 ( -0.571 -3.074 5.276) 6.133 8.096 ( 0.042 -3.493 11.278) 11.807 8.343 ( 0.900 -3.598 1.006) 3.843 8.491 ( -5.543 1.195 3.896) 6.880 8.959 ( 0.777 -1.946 4.755) 5.196 9.144 ( -4.959 1.158 4.357) 6.702 9.232 ( -3.197 -4.557 -7.424) 9.280 9.351 ( -5.849 -5.444 -4.036) 8.952 9.424 ( -8.583 -9.712 -5.170) 13.954 9.576 ( 9.387 -8.559 6.490) 14.265 9.796 ( 0.025 -3.350 -10.019) 10.564 10.166 ( 5.557 -1.936 -5.336) 7.943 10.336 ( 3.401 -3.471 -0.076) 4.860 10.553 ( -2.561 6.187 2.376) 7.105 10.722 ( 5.465 5.187 -3.287) 8.220 10.928 ( -4.101 3.987 6.605) 8.737 10.979 ( -0.213 2.029 5.936) 6.277 11.155 ( 4.974 -3.317 4.092) 7.245 11.435 ( 5.747 6.817 2.524) 9.267 11.666 ( -1.287 -1.793 -2.007) 2.983 11.861 ( 3.006 -2.058 5.274) 6.410 12.494 ( -0.435 3.843 -6.551) 7.608 12.683 ( 3.360 3.172 0.675) 4.669 12.843 ( -4.380 3.807 1.508) 5.996 13.126 ( -2.613 7.851 -5.599) 9.991 13.483 ( 1.850 9.975 -1.565) 10.266 13.704 ( -3.090 -8.890 -4.413) 10.395 13.972 ( -0.085 -0.893 1.230) 1.523 14.235 ( -2.778 -5.926 -1.183) 6.651 14.360 ( 7.318 4.675 0.095) 8.684 14.990 ( -12.716 -1.817 0.741) 12.866 15.368 ( 12.015 2.307 3.242) 12.657 15.737 ( -2.203 -2.650 1.949) 3.959 18.779 ( -1.525 5.148 5.535) 7.712 18.913 ( 0.860 9.444 -4.841) 10.647 19.547 ( 5.626 4.039 7.021) 9.862 20.030 ( 3.808 11.413 -3.684) 12.584 20.372 ( -2.561 -5.192 -7.062) 9.132 20.611 ( -1.253 -10.678 2.933) 11.144 20.854 ( -5.524 -6.559 -1.207) 8.660 21.572 ( -1.556 -11.832 12.920) 17.588 22.089 ( 1.441 -1.259 -12.701) 12.844 22.292 ( -0.671 -1.864 -0.057) 1.982 22.567 ( -1.634 1.432 -0.246) 2.186 22.750 ( 2.717 8.495 2.094) 9.162 ======================= Grid point 116 (61/90) ======================= q-point: (-0.12 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 15.486 -24.066 -12.634) 31.282 2.433 ( 16.447 -25.250 -17.870) 35.034 3.772 ( -28.357 5.945 0.295) 28.974 4.057 ( -11.607 -2.357 15.443) 19.462 4.571 ( 14.683 -12.721 -11.401) 22.526 4.751 ( 13.944 -9.634 -10.786) 20.090 5.391 ( 5.336 12.209 -2.262) 13.514 5.955 ( 2.379 12.552 -2.326) 12.986 5.987 ( -15.874 3.692 3.217) 16.612 6.534 ( 11.220 8.110 12.414) 18.595 6.737 ( -12.782 -3.829 -3.136) 13.707 7.097 ( 7.244 -7.470 -3.517) 10.984 7.297 ( -2.792 12.077 -0.154) 12.396 7.373 ( 5.057 5.584 -2.413) 7.910 7.723 ( 6.995 -0.608 3.543) 7.864 8.006 ( -12.012 -1.404 11.622) 16.773 8.229 ( 1.387 2.944 5.586) 6.465 8.256 ( -6.768 -2.378 -1.783) 7.392 8.528 ( -1.531 6.059 0.627) 6.281 8.874 ( -3.711 -13.991 -3.451) 14.880 8.972 ( -9.145 -6.855 -1.916) 11.588 9.093 ( -6.540 -10.257 -0.955) 12.202 9.262 ( 3.688 9.778 -1.046) 10.502 9.289 ( -1.978 -3.156 0.089) 3.726 9.705 ( 0.644 -1.990 4.909) 5.336 9.850 ( 14.287 -5.179 9.778) 18.071 10.135 ( 3.075 -5.615 -4.031) 7.565 10.365 ( 2.610 -0.800 -1.076) 2.934 10.538 ( -6.328 1.969 -1.750) 6.854 10.759 ( 1.573 2.594 -2.172) 3.731 10.967 ( -5.352 2.509 4.368) 7.350 11.049 ( 3.140 2.582 1.188) 4.235 11.235 ( 3.512 3.446 -2.221) 5.398 11.570 ( -0.265 -4.263 -2.653) 5.028 11.622 ( 3.934 3.823 1.844) 5.787 11.916 ( 3.074 -1.998 0.487) 3.698 12.488 ( 2.825 3.231 -4.781) 6.425 12.700 ( -2.356 -1.433 -1.075) 2.959 12.840 ( 1.023 3.968 1.241) 4.281 13.149 ( -1.135 7.340 2.012) 7.695 13.522 ( -3.250 -9.326 -4.228) 10.742 13.598 ( 3.986 4.989 2.233) 6.765 13.976 ( -0.304 -2.963 2.023) 3.601 14.132 ( -0.516 -0.701 -4.548) 4.631 14.519 ( 6.336 7.152 -0.164) 9.556 14.781 ( -13.392 -3.576 0.171) 13.862 15.587 ( 9.223 3.293 2.622) 10.138 15.693 ( -3.761 -2.124 0.807) 4.394 18.870 ( -4.647 5.175 1.637) 7.146 18.923 ( 5.608 8.707 -4.259) 11.199 19.805 ( 7.046 5.552 9.541) 13.096 20.084 ( -5.082 1.050 -0.582) 5.222 20.320 ( 11.563 5.271 -5.552) 13.867 20.484 ( -5.026 -8.844 -3.337) 10.706 20.708 ( -6.633 -5.894 3.391) 9.499 21.465 ( -11.726 -12.393 3.430) 17.402 22.048 ( 11.531 -2.881 -7.735) 14.181 22.280 ( -0.431 -0.494 1.595) 1.724 22.561 ( -0.841 1.569 -0.101) 1.783 22.841 ( -2.198 5.104 1.822) 5.849 ======================= Grid point 119 (62/90) ======================= q-point: ( 0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 36.617 -3.888 3.495) 36.989 2.420 ( 30.929 -26.775 -6.924) 41.490 3.940 ( -15.067 -10.661 12.800) 22.461 4.089 ( 14.412 5.092 10.176) 18.363 4.197 ( 25.293 1.441 12.756) 28.364 4.755 ( 9.024 -1.563 -15.921) 18.367 5.377 ( -14.902 0.744 -8.207) 17.029 5.778 ( -10.719 6.006 0.694) 12.306 6.122 ( 3.337 2.002 2.455) 4.601 6.428 ( 4.468 4.551 10.100) 11.945 6.656 ( -10.038 -2.164 -3.895) 10.983 7.125 ( -9.527 5.624 -2.039) 11.250 7.371 ( -8.527 -3.644 -2.411) 9.582 7.442 ( -3.475 1.835 -13.571) 14.128 7.736 ( -0.509 3.661 -4.451) 5.786 8.136 ( -4.894 0.458 9.104) 10.346 8.205 ( -3.900 2.937 0.457) 4.903 8.335 ( -0.578 -6.012 0.949) 6.114 8.630 ( 0.532 9.380 12.049) 15.279 8.854 ( -4.985 -8.351 -6.233) 11.551 8.987 ( 6.798 -10.791 0.447) 12.762 9.063 ( -2.310 -1.445 3.744) 4.631 9.248 ( 7.950 -3.258 0.042) 8.592 9.455 ( 6.071 0.456 1.350) 6.236 9.749 ( 3.355 3.090 -3.565) 5.789 10.019 ( 2.340 3.325 -2.559) 4.804 10.185 ( 6.815 -1.886 -5.863) 9.186 10.359 ( 6.457 -2.165 -0.126) 6.811 10.433 ( -3.521 1.662 -1.235) 4.084 10.643 ( -5.165 2.634 3.868) 6.970 11.046 ( -2.998 0.879 -2.772) 4.177 11.098 ( 1.298 -2.760 1.004) 3.211 11.232 ( -3.732 -2.221 -0.517) 4.374 11.464 ( -2.813 9.112 0.948) 9.584 11.611 ( -2.290 -6.069 0.391) 6.498 11.784 ( 0.861 4.153 3.757) 5.667 12.477 ( 3.002 -1.125 -5.135) 6.054 12.674 ( 1.569 2.026 0.657) 2.646 12.877 ( -3.877 -1.386 -1.013) 4.240 13.128 ( -5.040 7.167 -4.300) 9.760 13.466 ( 4.989 -5.248 7.770) 10.621 13.652 ( -3.366 4.138 -9.278) 10.702 13.989 ( 1.644 -3.224 3.978) 5.378 14.155 ( 5.794 -3.855 -1.828) 7.195 14.371 ( -3.853 5.442 1.647) 6.869 14.953 ( 0.327 -8.144 2.969) 8.675 15.484 ( -0.961 10.056 -3.942) 10.844 15.748 ( -3.102 -3.565 2.004) 5.133 18.666 ( -2.171 1.954 2.768) 4.024 19.128 ( -10.877 -5.417 -10.331) 15.949 19.734 ( -4.478 13.739 0.599) 14.463 19.945 ( -2.998 14.289 -0.512) 14.609 20.240 ( 3.354 -7.345 -0.627) 8.099 20.592 ( 5.472 -11.855 2.729) 13.339 20.935 ( 2.325 -4.047 -4.145) 6.242 21.504 ( -0.569 -3.120 16.706) 17.004 22.002 ( 11.889 -2.778 -8.400) 14.819 22.309 ( 0.321 -0.791 -0.667) 1.083 22.543 ( -1.652 0.983 0.801) 2.082 22.769 ( -2.841 5.047 1.497) 5.982 ======================= Grid point 120 (63/90) ======================= q-point: ( 0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 30.908 -11.452 1.451) 32.993 2.759 ( 33.968 -0.968 6.424) 34.583 3.649 ( -17.341 -20.527 5.200) 27.370 4.156 ( -7.249 8.160 -7.508) 13.247 4.689 ( 10.717 -1.451 -7.491) 13.156 4.869 ( 15.415 3.351 6.732) 17.152 5.220 ( 0.666 3.058 5.638) 6.448 5.726 ( -6.896 6.297 4.187) 10.234 6.004 ( -9.331 -13.737 -4.891) 17.311 6.499 ( -4.107 14.967 -9.775) 18.342 6.689 ( 3.308 -0.534 12.097) 12.553 7.104 ( -3.005 12.124 1.351) 12.564 7.167 ( -8.899 -3.990 -1.750) 9.908 7.356 ( 8.013 -3.556 -2.999) 9.265 7.743 ( 0.200 5.915 -2.372) 6.376 8.052 ( -13.235 -6.121 7.081) 16.210 8.123 ( -3.620 -4.134 -4.872) 7.344 8.359 ( 2.893 0.608 2.843) 4.101 8.487 ( -3.752 -12.437 -8.855) 15.721 8.910 ( -1.242 6.316 14.772) 16.114 9.042 ( -1.101 -4.067 2.198) 4.752 9.121 ( 9.361 -2.915 -0.371) 9.811 9.316 ( 7.911 -5.738 -3.602) 10.416 9.457 ( 5.964 -8.388 -3.802) 10.972 9.799 ( 4.918 0.509 -2.733) 5.649 10.056 ( 5.236 7.564 -11.371) 14.627 10.188 ( 2.204 1.247 -2.061) 3.265 10.380 ( 1.720 -0.235 -0.069) 1.738 10.465 ( -2.750 -3.579 3.222) 5.545 10.654 ( -1.684 6.963 5.429) 8.989 10.938 ( -7.430 0.574 -2.877) 7.988 11.029 ( -2.997 -5.728 -3.398) 7.303 11.193 ( -1.640 -1.216 2.351) 3.114 11.472 ( -8.944 10.281 1.181) 13.678 11.586 ( 0.335 -5.072 5.868) 7.764 11.877 ( -1.159 5.135 3.963) 6.589 12.467 ( 2.711 1.233 -2.088) 3.638 12.704 ( -0.806 -1.461 -0.119) 1.673 12.813 ( -0.257 3.218 -2.468) 4.063 13.054 ( -4.406 6.265 -5.442) 9.395 13.522 ( -3.198 6.636 -3.745) 8.264 13.638 ( 6.758 -1.000 2.761) 7.369 14.012 ( -0.950 1.245 0.239) 1.584 14.164 ( 3.282 -6.592 0.085) 7.365 14.438 ( 2.874 2.834 3.448) 5.308 14.857 ( -1.806 -11.469 -1.428) 11.698 15.520 ( -3.260 7.851 -0.706) 8.530 15.710 ( -0.457 -2.459 1.739) 3.046 18.715 ( -2.068 3.488 6.450) 7.619 18.872 ( -6.262 0.737 -7.749) 9.990 19.712 ( -8.272 8.212 -1.213) 11.719 20.000 ( -4.645 12.405 -3.909) 13.811 20.288 ( 7.332 -0.999 2.504) 7.812 20.634 ( 8.067 -11.532 4.195) 14.685 20.857 ( 1.628 -8.027 -4.377) 9.286 21.572 ( -3.011 -12.282 9.935) 16.081 22.102 ( 10.751 5.705 -4.140) 12.856 22.297 ( -0.066 -1.009 -0.460) 1.111 22.532 ( -1.510 0.593 -0.112) 1.626 22.771 ( -3.697 3.775 -0.644) 5.322 ======================= Grid point 121 (64/90) ======================= q-point: ( 0.50 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 24.629 -3.283 5.498) 25.448 3.245 ( -13.768 -24.528 0.333) 28.130 3.342 ( 29.007 3.430 8.968) 30.555 3.829 ( -12.578 -7.799 -20.752) 25.489 4.722 ( 5.773 -1.998 -7.951) 10.027 5.023 ( -0.765 9.019 4.511) 10.113 5.350 ( -6.849 3.341 2.231) 7.940 5.705 ( -6.353 -4.663 -2.846) 8.378 5.803 ( -0.006 4.921 3.889) 6.273 6.455 ( -0.134 6.237 -4.729) 7.828 6.812 ( 4.587 -1.876 -1.990) 5.341 7.015 ( -7.934 7.321 -0.902) 10.833 7.223 ( -3.565 9.212 7.046) 12.133 7.520 ( 12.757 -0.499 1.754) 12.886 7.705 ( -1.632 -4.086 -2.506) 5.064 7.913 ( -9.142 -4.673 -0.782) 10.297 7.994 ( -2.399 -3.833 7.531) 8.785 8.343 ( -2.355 -1.037 -0.327) 2.594 8.506 ( 14.220 -6.625 5.553) 16.641 9.005 ( -6.325 -5.306 8.976) 12.195 9.036 ( 0.793 -2.578 2.233) 3.502 9.187 ( 5.700 -0.983 -4.556) 7.363 9.300 ( 8.189 -7.538 -6.538) 12.909 9.510 ( 11.907 -4.328 -0.622) 12.685 9.786 ( 3.232 -5.576 -5.537) 8.497 10.019 ( -0.916 5.434 -10.771) 12.099 10.084 ( -13.614 -2.776 -0.962) 13.928 10.388 ( 1.990 -1.132 -3.233) 3.961 10.485 ( 4.228 2.242 2.672) 5.482 10.731 ( -4.377 -1.918 -1.452) 4.995 10.830 ( -6.590 10.159 5.660) 13.367 10.931 ( -0.104 -1.971 -1.510) 2.485 11.208 ( -0.689 0.025 3.527) 3.594 11.422 ( -11.399 8.275 2.754) 14.353 11.642 ( 1.107 -5.695 8.197) 10.042 11.912 ( -3.429 2.671 1.439) 4.579 12.526 ( 2.277 1.148 2.877) 3.844 12.645 ( -2.777 -0.696 -0.982) 3.026 12.850 ( 2.435 7.588 -4.373) 9.090 13.001 ( 1.535 7.420 -8.311) 11.247 13.500 ( -2.904 9.507 -3.163) 10.431 13.766 ( 7.223 -3.963 2.547) 8.624 13.997 ( -2.950 5.131 -2.089) 6.277 14.157 ( 0.049 -4.452 3.421) 5.615 14.505 ( -2.571 -5.110 3.176) 6.543 14.765 ( 8.424 -6.330 -3.420) 11.078 15.477 ( -8.200 2.069 1.627) 8.613 15.735 ( 1.910 0.276 0.518) 1.998 18.741 ( -1.971 2.853 -2.952) 4.554 18.848 ( -1.326 8.057 7.564) 11.131 19.632 ( -9.494 6.202 -0.314) 11.345 19.954 ( -2.245 7.563 -7.101) 10.614 20.430 ( 5.680 2.250 1.632) 6.323 20.676 ( 0.949 -12.178 3.295) 12.652 20.802 ( 7.992 -7.064 -1.071) 10.720 21.510 ( -0.996 -14.475 5.576) 15.544 22.257 ( 3.147 7.785 -2.392) 8.731 22.283 ( 1.883 -2.164 1.464) 3.221 22.513 ( -0.304 1.791 -1.511) 2.363 22.707 ( -3.948 1.158 -3.350) 5.305 ======================= Grid point 122 (65/90) ======================= q-point: (-0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -14.331 -31.405 -3.539) 34.701 3.133 ( -15.434 -16.748 -27.615) 35.794 3.530 ( 17.959 6.451 6.459) 20.146 3.870 ( 21.350 2.752 11.501) 24.406 4.551 ( 7.762 -23.317 -19.192) 31.182 5.069 ( -14.261 4.478 -6.311) 16.225 5.225 ( -7.679 11.296 5.451) 14.707 5.690 ( 0.368 11.014 1.195) 11.085 5.928 ( 4.692 9.089 3.866) 10.935 6.419 ( -1.909 -5.383 -2.137) 6.098 6.818 ( 5.705 3.990 -4.956) 8.546 7.042 ( -4.796 9.243 5.375) 11.718 7.299 ( -4.973 7.446 0.458) 8.966 7.479 ( 3.947 -6.516 -9.259) 11.990 7.758 ( -8.456 -2.697 4.723) 10.054 7.867 ( 10.717 5.499 5.191) 13.116 8.081 ( -3.966 -2.483 15.174) 15.879 8.322 ( 0.135 -2.988 1.662) 3.422 8.757 ( 15.168 -8.579 5.825) 18.374 8.887 ( -11.968 -7.790 5.309) 15.235 9.064 ( 5.272 -2.885 -3.480) 6.945 9.179 ( 2.383 1.888 -3.479) 4.620 9.318 ( 7.674 -8.516 1.922) 11.624 9.585 ( -1.485 -3.709 -3.323) 5.197 9.725 ( 9.155 -7.396 -8.355) 14.433 9.790 ( -13.824 -4.587 -3.157) 14.903 9.923 ( -1.593 0.944 -2.378) 3.014 10.334 ( -0.772 -2.143 -4.286) 4.854 10.581 ( 0.741 4.782 -2.039) 5.251 10.648 ( -0.226 0.462 0.958) 1.087 10.947 ( -4.075 8.318 9.456) 13.237 10.954 ( 4.744 2.789 -0.854) 5.569 11.229 ( -3.383 0.616 2.694) 4.368 11.379 ( -6.711 3.954 5.248) 9.392 11.705 ( 0.889 -4.950 6.121) 7.922 11.866 ( -4.148 -0.867 0.298) 4.248 12.539 ( 0.338 -1.596 -5.113) 5.367 12.641 ( -2.004 4.174 3.423) 5.758 12.897 ( 0.744 7.959 -1.562) 8.145 13.025 ( 7.129 6.951 -9.118) 13.501 13.509 ( -2.438 6.556 -0.680) 7.028 13.788 ( -0.019 -4.901 -2.502) 5.503 13.983 ( -0.304 2.764 -0.921) 2.929 14.196 ( -0.218 1.905 4.861) 5.226 14.379 ( -5.100 -6.609 -1.238) 8.440 14.901 ( 15.042 -2.075 -1.251) 15.236 15.381 ( -9.909 1.329 2.716) 10.360 15.762 ( 0.746 -1.150 1.281) 1.876 18.739 ( 1.451 5.662 -2.871) 6.512 19.021 ( -2.798 10.733 11.303) 15.836 19.547 ( -7.387 4.717 0.387) 8.773 19.919 ( 2.057 6.703 -7.653) 10.379 20.465 ( -1.341 -1.966 -3.404) 4.154 20.612 ( 0.754 -10.499 4.361) 11.393 20.870 ( 5.181 -5.526 0.933) 7.632 21.483 ( 4.411 -13.255 6.475) 15.398 22.193 ( -4.782 -2.086 -6.363) 8.229 22.317 ( -1.359 -1.532 0.758) 2.184 22.578 ( 4.618 5.339 0.840) 7.109 22.635 ( -0.687 4.292 -3.817) 5.785 ======================= Grid point 123 (66/90) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -13.483 -36.422 -5.134) 39.175 2.342 ( -12.442 -23.757 -31.480) 41.355 3.955 ( 16.994 7.879 3.670) 19.088 4.155 ( 11.864 -34.593 -22.567) 42.973 4.271 ( 12.457 -1.105 10.069) 16.056 4.641 ( -23.429 2.491 -13.270) 27.040 5.380 ( -3.550 14.774 7.670) 17.021 5.864 ( 3.145 16.448 1.283) 16.795 6.158 ( 8.691 9.530 -1.448) 12.979 6.337 ( -1.542 -1.282 5.285) 5.653 6.864 ( -0.215 1.688 -6.225) 6.453 7.119 ( -4.921 2.048 11.222) 12.424 7.201 ( 2.855 5.404 -9.827) 11.573 7.514 ( 4.975 1.114 2.097) 5.513 7.683 ( -15.339 4.777 7.399) 17.687 8.067 ( 4.848 3.261 2.897) 6.521 8.201 ( 0.555 -2.251 12.245) 12.462 8.332 ( 1.676 -3.554 1.121) 4.086 8.701 ( -10.141 -7.324 8.382) 15.058 8.903 ( 5.853 -10.640 -2.498) 12.398 9.052 ( 5.128 3.604 -4.321) 7.613 9.149 ( 0.454 -1.016 -8.681) 8.752 9.335 ( -7.584 -4.435 -9.263) 12.766 9.484 ( 0.113 -10.228 2.316) 10.487 9.552 ( -5.111 -6.990 13.451) 15.997 9.667 ( 2.796 -1.761 -1.902) 3.813 10.027 ( 5.929 3.597 -0.054) 6.935 10.271 ( 1.557 -3.412 -1.105) 3.910 10.577 ( 1.071 2.847 -4.757) 5.646 10.696 ( 1.625 4.371 -0.045) 4.664 11.051 ( -0.487 2.277 4.494) 5.062 11.056 ( 1.977 4.400 2.067) 5.248 11.190 ( -5.836 -2.973 5.847) 8.780 11.431 ( 3.146 2.339 2.654) 4.734 11.680 ( -4.618 -2.836 -0.141) 5.421 11.838 ( 1.971 -3.390 -0.134) 3.923 12.455 ( -1.032 2.296 -5.863) 6.380 12.679 ( 0.539 1.933 0.124) 2.010 12.934 ( -2.091 1.740 0.347) 2.742 13.098 ( 5.662 6.896 -3.330) 9.524 13.516 ( 0.552 0.091 -1.361) 1.471 13.668 ( -5.753 -1.997 -2.316) 6.515 13.995 ( -1.096 2.402 0.442) 2.677 14.198 ( -1.509 -3.294 -3.837) 5.277 14.355 ( 2.195 6.832 2.635) 7.644 15.028 ( 4.537 -4.638 -2.377) 6.910 15.339 ( -0.844 3.790 4.519) 5.959 15.770 ( -0.967 -2.490 2.775) 3.852 18.793 ( 3.367 7.770 -4.168) 9.438 19.138 ( -12.298 10.124 8.670) 18.136 19.589 ( 5.108 5.342 5.603) 9.275 19.952 ( 6.974 6.138 -6.213) 11.177 20.333 ( -5.680 -3.907 -3.378) 7.677 20.587 ( -0.571 -8.328 1.934) 8.569 20.855 ( -1.978 -5.675 1.429) 6.178 21.569 ( 8.308 -12.257 8.538) 17.093 21.939 ( -8.149 -5.901 -12.131) 15.760 22.299 ( -0.784 -1.259 1.156) 1.880 22.589 ( -0.972 0.573 -0.441) 1.211 22.769 ( 6.400 10.503 -0.783) 12.325 ======================= Grid point 124 (67/90) ======================= q-point: (-0.12 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 4.287 -33.496 -9.806) 35.164 1.799 ( 6.770 -30.804 -16.167) 35.441 3.653 ( 21.302 -48.876 -31.542) 61.948 4.177 ( -23.712 6.681 -5.592) 25.262 4.293 ( 3.574 4.337 8.057) 9.823 4.559 ( 11.298 3.223 3.381) 12.226 5.528 ( -3.745 14.990 5.765) 16.491 6.015 ( 0.108 12.592 -2.365) 12.813 6.149 ( -3.094 1.808 -4.166) 5.495 6.594 ( 10.513 4.120 -12.344) 16.730 6.679 ( -5.275 4.081 9.216) 11.376 7.171 ( -9.152 -0.792 11.274) 14.543 7.342 ( 5.527 7.627 5.451) 10.883 7.541 ( -9.712 12.562 1.239) 15.927 7.672 ( 4.403 -2.343 6.224) 7.975 8.168 ( -1.788 -5.022 1.637) 5.576 8.272 ( 0.539 1.258 -1.551) 2.068 8.366 ( 2.845 5.377 6.755) 9.091 8.679 ( -7.760 -1.425 10.854) 13.418 8.709 ( -3.295 -14.069 -7.636) 16.344 8.956 ( -1.194 -1.578 -13.748) 13.890 9.057 ( -6.712 -7.451 -5.599) 11.485 9.235 ( 4.562 1.795 6.351) 8.023 9.348 ( -0.653 -2.885 -1.085) 3.150 9.691 ( 5.154 3.688 4.718) 7.902 9.866 ( 5.872 -5.039 21.204) 22.572 10.039 ( -2.009 -1.082 -2.696) 3.532 10.273 ( 3.045 -4.850 -3.223) 6.571 10.551 ( -0.167 4.281 -4.579) 6.270 10.758 ( 1.690 4.732 -0.446) 5.045 11.054 ( -0.739 -2.045 1.368) 2.569 11.081 ( -5.346 0.505 -1.192) 5.500 11.197 ( 2.203 -2.034 3.388) 4.525 11.531 ( 0.068 -0.084 -2.608) 2.610 11.595 ( 2.969 -1.704 1.556) 3.760 11.824 ( 4.140 -2.571 -4.252) 6.467 12.444 ( 1.372 3.010 -1.124) 3.493 12.675 ( -0.014 -2.092 -2.061) 2.937 12.901 ( -2.983 1.612 1.135) 3.575 13.203 ( 3.557 2.241 1.669) 4.523 13.432 ( -2.449 -4.847 -5.428) 7.678 13.631 ( 0.603 0.873 2.532) 2.745 14.002 ( -2.008 3.037 0.748) 3.717 14.112 ( -2.364 1.946 -3.320) 4.517 14.502 ( 5.512 8.152 0.358) 9.848 14.897 ( -9.008 -5.977 -2.162) 11.025 15.511 ( 9.072 3.108 4.412) 10.556 15.750 ( -3.583 -1.744 1.849) 4.393 18.827 ( 1.367 8.235 -9.478) 12.629 19.126 ( -9.273 7.213 9.583) 15.161 19.857 ( 8.500 6.588 8.475) 13.692 20.081 ( 12.845 3.878 -3.490) 13.864 20.178 ( -7.157 -1.837 -2.571) 7.824 20.478 ( -5.210 -5.301 -3.298) 8.132 20.798 ( -4.309 -4.690 6.369) 9.007 21.564 ( -12.242 -13.056 1.061) 17.929 21.741 ( 13.379 -6.128 -5.811) 15.822 22.299 ( -0.283 -0.377 1.138) 1.232 22.580 ( -0.680 1.197 -0.438) 1.445 22.893 ( 1.774 7.103 -2.535) 7.747 ======================= Grid point 152 (68/90) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -0.000 0.000 34.543) 34.543 2.841 ( -0.000 -0.000 34.543) 34.543 3.844 ( 0.000 0.000 -1.520) 1.520 4.300 ( -0.000 -0.000 22.645) 22.645 4.653 ( -0.000 0.000 0.416) 0.416 4.653 ( 0.000 -0.000 0.416) 0.416 6.151 ( 0.000 0.000 -21.862) 21.862 6.169 ( -0.000 -0.000 0.561) 0.561 6.169 ( 0.000 0.000 0.561) 0.561 6.686 ( 0.000 0.000 -6.281) 6.281 6.686 ( 0.000 -0.000 -6.281) 6.281 6.948 ( 0.000 0.000 -7.121) 7.121 6.974 ( 0.000 0.000 -11.331) 11.331 6.974 ( 0.000 -0.000 -11.331) 11.331 7.714 ( -0.000 -0.000 7.543) 7.543 7.861 ( -0.000 -0.000 3.988) 3.988 7.988 ( -0.000 0.000 4.760) 4.760 7.988 ( -0.000 -0.000 4.760) 4.760 8.653 ( -0.000 0.000 4.154) 4.154 8.653 ( -0.000 0.000 4.154) 4.154 8.752 ( 0.000 0.000 -1.373) 1.373 9.031 ( -0.000 0.000 9.442) 9.442 9.031 ( -0.000 -0.000 9.442) 9.442 9.990 ( 0.000 0.000 -8.100) 8.100 9.990 ( 0.000 -0.000 -8.100) 8.100 10.023 ( -0.000 -0.000 10.889) 10.889 10.112 ( -0.000 -0.000 17.353) 17.353 10.328 ( 0.000 0.000 -8.096) 8.096 10.328 ( 0.000 -0.000 -8.096) 8.096 10.560 ( -0.000 -0.000 14.246) 14.246 10.978 ( -0.000 0.000 0.662) 0.662 10.978 ( 0.000 0.000 0.662) 0.662 11.019 ( -0.000 -0.000 0.070) 0.070 11.504 ( 0.000 0.000 -8.515) 8.515 11.504 ( 0.000 -0.000 -8.515) 8.515 11.623 ( 0.000 0.000 -3.805) 3.805 12.636 ( 0.000 0.000 -2.907) 2.907 12.636 ( 0.000 -0.000 -2.907) 2.907 12.906 ( 0.000 0.000 -2.385) 2.385 12.906 ( 0.000 -0.000 -2.385) 2.385 13.191 ( 0.000 0.000 -7.052) 7.052 14.061 ( -0.000 -0.000 9.989) 9.989 14.606 ( -0.000 0.000 2.051) 2.051 14.606 ( -0.000 -0.000 2.051) 2.051 14.801 ( -0.000 0.000 7.588) 7.588 14.801 ( -0.000 -0.000 7.588) 7.588 14.802 ( 0.000 0.000 -23.935) 23.935 15.480 ( -0.000 -0.000 4.363) 4.363 19.046 ( 0.000 -0.000 -9.034) 9.034 19.046 ( 0.000 0.000 -9.034) 9.034 19.556 ( 0.000 0.000 -9.337) 9.337 19.556 ( 0.000 -0.000 -9.337) 9.337 20.269 ( -0.000 -0.000 8.646) 8.646 20.802 ( -0.000 -0.000 11.660) 11.660 20.802 ( -0.000 -0.000 11.660) 11.660 21.799 ( -0.000 -0.000 6.047) 6.047 21.799 ( -0.000 0.000 6.047) 6.047 22.120 ( 0.000 0.000 -2.741) 2.741 22.598 ( 0.000 0.000 -0.026) 0.026 22.997 ( 0.000 0.000 -8.428) 8.428 ======================= Grid point 153 (69/90) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -3.895 -7.639 30.896) 32.063 3.427 ( 3.567 12.307 28.845) 31.563 3.721 ( -9.107 -6.796 -4.268) 12.138 4.322 ( -14.307 -9.077 -1.483) 17.008 4.634 ( 8.307 2.710 14.384) 16.830 4.927 ( 10.705 6.300 0.194) 12.423 5.745 ( -11.125 -8.311 -16.255) 21.379 5.949 ( -10.706 -3.796 -4.654) 12.276 6.284 ( -4.806 -3.912 -16.720) 17.831 6.403 ( 5.379 -2.119 -5.352) 7.879 6.580 ( 3.035 2.604 -14.090) 14.646 6.784 ( -2.891 1.559 -7.126) 7.847 7.012 ( 0.671 10.183 -1.214) 10.277 7.138 ( 15.154 0.038 2.981) 15.445 7.808 ( -2.182 1.844 12.137) 12.469 7.885 ( -6.792 -2.442 5.540) 9.099 7.956 ( 0.653 -7.667 7.472) 10.726 8.265 ( 6.157 10.079 4.947) 12.805 8.561 ( -7.177 -4.752 11.437) 14.314 8.767 ( 5.280 -2.494 -1.610) 6.057 8.890 ( 7.802 5.839 6.692) 11.821 9.071 ( -3.002 -4.500 9.650) 11.063 9.248 ( 3.899 6.766 8.158) 11.293 9.756 ( -5.057 -1.534 -3.981) 6.616 9.940 ( -6.435 4.443 -7.636) 10.930 10.032 ( -6.963 -10.534 -2.031) 12.790 10.145 ( -0.088 -2.320 5.949) 6.386 10.339 ( 1.850 1.869 11.562) 11.858 10.420 ( 8.918 6.808 -6.647) 13.041 10.747 ( -0.570 1.321 13.611) 13.687 10.940 ( -1.806 -1.144 0.152) 2.144 11.009 ( 4.305 -0.263 -1.642) 4.615 11.081 ( 4.923 -0.847 -0.280) 5.003 11.347 ( 0.006 -0.811 -11.342) 11.371 11.465 ( 1.877 2.794 -5.622) 6.553 11.507 ( -3.135 -0.815 -7.741) 8.391 12.592 ( 2.262 -1.423 -1.953) 3.310 12.639 ( 0.735 2.670 -3.659) 4.589 12.798 ( -2.077 0.303 -4.649) 5.100 12.952 ( 5.460 -1.470 -5.190) 7.675 13.174 ( 5.928 7.071 -7.034) 11.602 14.117 ( -3.600 -1.958 1.395) 4.329 14.428 ( -8.612 -5.891 -8.276) 13.318 14.532 ( -10.461 1.100 0.178) 10.520 14.605 ( -4.500 -2.262 2.973) 5.849 14.874 ( 5.380 -7.780 6.135) 11.274 15.019 ( 7.465 6.951 1.924) 10.380 15.571 ( 2.821 3.374 3.265) 5.477 18.833 ( -5.442 -2.479 -6.727) 9.001 19.063 ( 7.150 2.811 -9.191) 11.979 19.443 ( -3.216 6.267 -7.672) 10.416 19.471 ( 4.841 -4.999 -7.021) 9.885 20.408 ( 2.283 1.918 7.196) 7.790 20.904 ( -3.230 -0.956 9.584) 10.158 20.975 ( 2.173 0.896 13.971) 14.167 21.586 ( -13.563 -9.177 3.561) 16.759 22.085 ( 5.562 2.895 0.685) 6.307 22.124 ( 6.725 4.937 1.250) 8.436 22.597 ( 0.068 0.040 -0.190) 0.205 22.856 ( -3.473 -2.213 -8.615) 9.549 ======================= Grid point 154 (70/90) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( 2.892 -6.662 21.996) 23.164 3.368 ( -20.636 -15.846 1.978) 26.093 3.797 ( -9.634 8.688 16.637) 21.097 4.061 ( -14.748 3.437 3.678) 15.584 4.857 ( 9.679 0.070 -4.661) 10.743 5.052 ( 3.465 -4.852 1.843) 6.240 5.336 ( -8.081 -4.325 -17.590) 19.835 5.715 ( -10.369 -1.432 -3.448) 11.021 5.983 ( 3.995 -13.685 -12.346) 18.859 6.438 ( 2.060 -0.352 0.833) 2.250 6.527 ( 5.477 4.969 -8.498) 11.265 6.744 ( 3.506 9.945 -9.852) 14.431 7.114 ( -0.585 7.600 5.460) 9.376 7.390 ( 14.033 -0.503 2.900) 14.338 7.766 ( -9.120 -5.120 1.261) 10.535 7.938 ( -2.354 1.163 7.346) 7.801 8.053 ( 4.666 -0.615 10.294) 11.319 8.332 ( -7.507 1.136 4.209) 8.681 8.593 ( -4.155 -2.901 8.843) 10.192 8.833 ( 8.509 -2.434 -0.078) 8.851 9.049 ( -6.226 -7.306 6.411) 11.543 9.180 ( 5.741 6.424 13.039) 15.628 9.417 ( 0.992 4.587 4.996) 6.854 9.715 ( -11.742 11.417 -8.528) 18.465 9.791 ( 2.678 -0.837 0.907) 2.949 9.906 ( 3.095 -5.907 1.607) 6.859 10.148 ( -5.173 -4.100 5.668) 8.701 10.474 ( -1.087 0.146 5.999) 6.099 10.534 ( 8.161 5.672 -4.322) 10.838 10.777 ( -8.435 -0.286 -0.286) 8.445 10.924 ( 1.337 -0.227 -1.917) 2.348 11.032 ( 6.090 -7.086 -7.588) 12.037 11.108 ( 2.799 -2.437 6.088) 7.130 11.218 ( -3.179 -2.149 -4.530) 5.936 11.451 ( 8.356 4.005 -5.825) 10.945 11.539 ( 6.279 9.035 -1.321) 11.081 12.584 ( 2.542 -6.136 -1.197) 6.749 12.647 ( 1.463 6.871 -3.836) 8.004 12.731 ( -0.000 1.002 -5.217) 5.312 12.926 ( 5.656 -3.641 -7.536) 10.102 13.290 ( 7.999 11.524 -5.248) 14.978 13.899 ( -6.045 -0.962 -16.579) 17.673 14.311 ( -6.593 -2.806 8.016) 10.752 14.381 ( -11.907 -1.818 2.773) 12.360 14.537 ( -6.685 -4.756 3.629) 8.971 14.953 ( 5.621 -8.532 5.110) 11.424 15.177 ( 5.562 5.000 0.304) 7.485 15.670 ( 1.978 4.232 1.604) 4.939 18.688 ( -2.894 -1.641 -4.361) 5.485 19.086 ( 7.584 4.507 -9.826) 13.205 19.368 ( -1.564 2.977 -4.030) 5.249 19.481 ( 8.639 -0.469 -4.610) 9.804 20.494 ( -2.260 1.309 3.977) 4.758 20.943 ( -4.689 -0.354 7.744) 9.060 21.188 ( 0.660 0.766 12.556) 12.596 21.368 ( -9.621 -9.253 5.222) 14.334 22.113 ( 1.935 0.167 -0.135) 1.947 22.324 ( 7.751 5.665 -0.255) 9.604 22.601 ( 1.057 -0.118 -0.566) 1.205 22.661 ( -6.100 -3.153 -7.708) 10.323 ======================= Grid point 155 (71/90) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -28.193 -17.610 7.944) 34.177 3.470 ( -26.954 -5.378 -1.813) 27.545 3.636 ( 6.171 -8.284 12.464) 16.189 4.202 ( -9.077 22.122 14.690) 28.064 4.788 ( -7.853 -11.029 -2.240) 13.723 4.850 ( -0.467 -12.479 -18.444) 22.274 5.190 ( 2.137 2.677 -2.755) 4.396 5.585 ( -0.494 1.057 -3.127) 3.338 5.889 ( 10.745 -13.550 -2.609) 17.489 6.470 ( -0.611 -2.737 3.744) 4.678 6.641 ( 5.928 14.099 -1.747) 15.394 6.779 ( 7.793 7.634 -10.326) 15.021 7.232 ( 1.444 1.936 5.193) 5.727 7.528 ( -0.338 -6.458 0.184) 6.470 7.664 ( 2.419 5.947 -1.067) 6.508 7.939 ( -1.321 -1.141 -0.527) 1.824 8.245 ( 1.604 -4.016 3.126) 5.336 8.342 ( 1.806 8.168 15.129) 17.287 8.595 ( -6.796 -1.992 5.446) 8.933 8.913 ( -0.466 0.717 0.178) 0.873 8.997 ( 2.119 -9.523 7.116) 12.076 9.392 ( -0.411 1.267 7.342) 7.462 9.433 ( -10.752 8.831 -10.049) 17.163 9.516 ( -5.396 1.340 4.775) 7.329 9.793 ( -2.157 -6.052 2.737) 6.983 10.001 ( -0.330 -1.185 -1.779) 2.163 10.188 ( 6.396 1.633 8.481) 10.747 10.399 ( -6.397 -4.623 -10.388) 13.047 10.560 ( -4.780 -0.068 -4.281) 6.417 10.613 ( -1.992 1.582 -2.074) 3.282 10.926 ( 4.877 -2.615 -0.610) 5.567 11.029 ( 7.049 -5.323 -2.161) 9.094 11.173 ( 4.805 0.766 1.130) 4.995 11.231 ( 2.090 5.917 0.545) 6.299 11.553 ( 7.620 1.783 -0.844) 7.872 11.735 ( 3.921 8.559 4.924) 10.624 12.552 ( -0.337 -2.985 -1.587) 3.398 12.625 ( 0.060 0.567 -5.612) 5.641 12.741 ( 6.183 1.196 -1.389) 6.449 12.899 ( 6.250 -0.387 -7.624) 9.866 13.431 ( 7.583 10.720 -7.220) 14.985 13.672 ( -4.046 2.016 -6.969) 8.307 14.219 ( -9.935 -1.157 0.287) 10.006 14.301 ( -5.235 -3.713 6.785) 9.340 14.419 ( -8.455 -5.490 2.801) 10.463 15.017 ( 4.578 -7.894 4.284) 10.081 15.272 ( 3.395 4.204 -1.508) 5.610 15.740 ( 1.536 2.928 1.202) 3.518 18.621 ( 0.217 -1.044 -1.437) 1.790 19.110 ( 4.206 10.739 -11.602) 16.359 19.376 ( 6.052 -2.259 0.039) 6.461 19.590 ( 10.336 1.938 -1.537) 10.628 20.463 ( -6.847 0.678 1.518) 7.046 20.927 ( -8.373 -0.149 3.513) 9.081 21.114 ( -8.302 -6.262 1.612) 10.524 21.479 ( 3.186 -2.882 16.364) 16.919 22.145 ( -0.224 0.973 1.049) 1.448 22.400 ( -1.381 1.277 -7.658) 7.885 22.468 ( 0.019 -2.602 -1.264) 2.893 22.629 ( 2.587 0.778 -1.312) 3.003 ======================= Grid point 156 (72/90) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -30.076 -11.683 19.380) 37.639 2.854 ( -40.115 -6.732 -3.847) 40.858 3.832 ( 15.371 -9.289 1.405) 18.014 4.404 ( -10.539 11.157 12.718) 19.932 4.482 ( -3.768 -9.321 -9.774) 14.022 4.538 ( -16.165 -15.604 7.210) 23.596 5.253 ( 8.145 7.254 -6.671) 12.785 5.650 ( 10.117 4.172 -2.238) 11.170 5.982 ( 13.367 -8.362 2.685) 15.994 6.434 ( -4.801 -1.349 -0.386) 5.002 6.782 ( 0.032 11.710 -2.085) 11.894 6.915 ( 13.636 5.223 -0.192) 14.603 7.262 ( 1.615 -4.004 -4.175) 6.005 7.476 ( -0.369 -2.890 4.428) 5.301 7.718 ( -4.111 13.501 -6.553) 15.560 7.969 ( 10.323 -3.680 -0.284) 10.963 8.283 ( 2.231 2.747 -1.509) 3.847 8.457 ( -9.189 -1.304 -2.399) 9.586 8.686 ( 5.592 -1.547 18.474) 19.364 8.897 ( -0.731 3.605 -0.036) 3.678 9.069 ( 2.443 -3.952 6.133) 7.694 9.152 ( -12.678 2.140 -10.279) 16.461 9.384 ( -8.519 -1.970 4.699) 9.926 9.557 ( -6.267 2.262 6.723) 9.465 9.713 ( -4.390 -6.343 1.377) 7.836 9.904 ( -1.390 -1.648 -12.833) 13.013 10.077 ( -4.650 -8.205 -9.798) 13.599 10.335 ( 0.391 -3.117 0.599) 3.198 10.466 ( 0.131 -0.478 3.887) 3.918 10.636 ( 1.868 2.684 -0.325) 3.286 10.985 ( 5.012 -0.958 -0.652) 5.145 11.063 ( 5.034 -1.606 -2.448) 5.823 11.242 ( 1.471 3.024 -2.555) 4.224 11.350 ( 6.995 4.427 -0.394) 8.287 11.667 ( 1.650 5.152 1.686) 5.667 11.853 ( -2.375 0.120 6.275) 6.711 12.448 ( -3.622 0.326 -4.076) 5.463 12.632 ( 3.039 0.188 0.540) 3.093 12.863 ( 6.432 1.490 2.248) 6.974 12.934 ( 10.312 0.962 -5.123) 11.555 13.497 ( 5.559 6.186 -8.361) 11.793 13.643 ( -4.219 3.094 5.526) 7.610 14.071 ( -6.517 -3.525 -1.384) 7.537 14.258 ( -7.129 -3.142 4.370) 8.933 14.317 ( -1.096 0.174 -0.933) 1.450 15.048 ( 1.755 -6.855 3.307) 7.810 15.317 ( 2.817 3.482 -3.282) 5.553 15.789 ( 0.825 1.261 0.360) 1.550 18.651 ( 4.024 -0.044 2.526) 4.751 19.112 ( 1.459 14.324 -11.457) 18.400 19.491 ( 11.242 -2.957 0.038) 11.624 19.763 ( 10.742 0.941 2.134) 10.992 20.378 ( -7.709 1.763 1.729) 8.095 20.777 ( -10.983 -3.347 -0.373) 11.488 20.983 ( -6.440 -3.154 -0.744) 7.209 21.667 ( 2.944 -8.383 12.467) 15.309 22.039 ( -13.158 3.006 -4.805) 14.327 22.311 ( -0.038 -0.188 -0.145) 0.240 22.528 ( 4.556 1.123 1.438) 4.908 22.658 ( 5.646 -1.305 -2.607) 6.354 ======================= Grid point 161 (73/90) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( -4.406 -12.490 26.605) 29.719 3.739 ( -1.271 -2.579 3.245) 4.335 3.774 ( 8.295 8.588 20.476) 23.703 4.268 ( 1.175 -22.533 -0.819) 22.579 4.760 ( 1.139 9.777 5.591) 11.320 4.939 ( -4.512 14.986 -3.530) 16.044 5.506 ( 0.858 -14.190 -18.840) 23.602 5.888 ( -0.974 -16.268 -0.798) 16.316 6.133 ( -9.525 -2.622 -20.776) 23.005 6.259 ( 9.552 8.034 -13.457) 18.354 6.368 ( -2.563 8.597 -9.358) 12.963 6.755 ( 0.845 4.992 -9.622) 10.873 7.009 ( 6.029 -5.010 11.064) 13.559 7.233 ( -5.218 7.758 9.766) 13.519 7.898 ( 0.833 -8.751 9.668) 13.067 8.005 ( 0.331 0.378 8.560) 8.574 8.157 ( -11.739 -0.491 6.882) 13.617 8.259 ( 13.533 4.788 6.892) 15.923 8.684 ( -2.388 -6.686 5.051) 8.713 8.730 ( -1.789 -0.111 2.813) 3.335 9.012 ( 0.594 7.451 13.630) 15.545 9.231 ( -2.616 2.283 8.912) 9.565 9.353 ( 3.586 7.470 7.692) 11.306 9.657 ( 2.380 -9.047 -2.438) 9.667 9.831 ( 1.434 1.541 -11.282) 11.477 10.098 ( -8.802 -5.129 1.750) 10.337 10.199 ( 10.677 1.597 -5.795) 12.253 10.335 ( -3.254 7.806 3.432) 9.127 10.482 ( 1.097 -1.116 12.380) 12.479 10.888 ( -1.615 -5.934 -2.523) 6.647 10.900 ( 2.571 -0.035 9.644) 9.981 10.982 ( -2.340 0.691 -2.350) 3.388 11.039 ( -4.599 -4.080 -5.760) 8.425 11.237 ( 2.070 5.290 -3.723) 6.792 11.401 ( 1.690 -1.529 -5.807) 6.238 11.415 ( -1.344 0.334 -5.598) 5.767 12.521 ( -0.201 -1.468 -2.145) 2.608 12.664 ( 0.492 7.988 -3.405) 8.697 12.707 ( 0.765 -4.366 -5.015) 6.693 12.897 ( -4.711 5.921 -7.420) 10.597 13.092 ( 3.835 13.219 -8.775) 16.323 13.968 ( 0.769 -3.792 -22.727) 23.054 14.422 ( 0.297 -5.581 7.279) 9.177 14.600 ( 6.297 -7.512 3.550) 10.425 14.614 ( -3.468 -6.684 3.604) 8.348 14.952 ( -8.045 0.572 5.510) 9.768 15.044 ( 3.199 5.123 3.932) 7.206 15.608 ( 1.221 3.044 2.928) 4.397 18.761 ( 0.138 -5.421 -5.125) 7.461 18.932 ( -0.264 2.935 -8.630) 9.119 19.325 ( 1.252 -0.650 -4.743) 4.948 19.446 ( -1.488 8.833 -7.640) 11.773 20.504 ( 0.681 1.961 7.351) 7.639 21.041 ( 1.191 -2.595 9.058) 9.497 21.113 ( -0.784 -0.642 14.355) 14.391 21.605 ( -0.777 -17.721 1.866) 17.836 22.086 ( -1.363 3.206 -1.473) 3.782 22.149 ( 1.560 13.005 1.427) 13.176 22.591 ( -0.078 -0.150 -0.494) 0.522 22.756 ( -0.050 -2.666 -8.592) 8.996 ======================= Grid point 162 (74/90) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( -2.397 -12.620 18.209) 22.284 3.585 ( -15.706 -10.641 5.843) 19.851 4.096 ( -7.736 -8.524 6.265) 13.106 4.229 ( 11.621 3.611 10.973) 16.386 4.823 ( -8.858 7.521 -5.646) 12.919 4.914 ( 1.676 0.693 -6.608) 6.853 5.183 ( -1.361 -4.769 -14.628) 15.446 5.668 ( 1.949 -14.075 -9.295) 16.979 5.819 ( -10.378 1.609 -6.494) 12.348 6.323 ( 8.811 7.873 -8.260) 14.417 6.388 ( 5.596 3.339 -0.905) 6.579 6.725 ( 0.335 10.166 -6.996) 12.345 7.221 ( 11.407 -5.447 7.289) 14.592 7.322 ( -5.490 1.572 10.929) 12.331 7.837 ( -6.139 -4.304 -1.763) 7.702 8.087 ( -6.904 -1.989 6.730) 9.844 8.147 ( 1.021 1.493 8.999) 9.178 8.501 ( 1.098 -3.647 11.517) 12.131 8.684 ( 2.916 -2.044 -0.605) 3.612 8.706 ( -0.627 -2.976 5.649) 6.416 9.153 ( -6.317 -6.260 4.573) 10.001 9.385 ( 0.610 11.896 12.149) 17.014 9.482 ( 0.799 1.426 2.047) 2.619 9.719 ( 4.903 3.885 0.388) 6.268 9.722 ( 1.375 0.221 -5.250) 5.432 9.991 ( -6.639 3.155 3.003) 7.941 10.240 ( 2.396 -3.588 -3.116) 5.322 10.402 ( 1.859 4.566 0.464) 4.951 10.587 ( -4.751 -1.744 3.974) 6.434 10.791 ( 0.893 -1.364 -6.306) 6.514 10.839 ( -0.914 -9.260 -3.827) 10.061 10.893 ( -1.014 -2.099 -1.735) 2.906 11.054 ( 3.967 -2.850 2.918) 5.690 11.234 ( 3.485 -7.213 -6.103) 10.071 11.331 ( -1.657 9.521 2.267) 9.926 11.518 ( 7.552 6.321 4.690) 10.908 12.513 ( 1.681 -1.447 -0.003) 2.218 12.651 ( 2.088 -1.686 -3.946) 4.772 12.671 ( -1.074 5.655 -4.720) 7.444 12.804 ( -2.182 8.102 -7.584) 11.310 13.202 ( 7.028 16.567 -10.154) 20.663 13.686 ( 2.493 2.861 -22.532) 22.849 14.433 ( -3.074 -10.553 5.791) 12.424 14.507 ( -8.655 -6.673 6.286) 12.608 14.648 ( 0.685 -4.097 2.249) 4.724 14.898 ( -4.747 -7.026 6.888) 10.924 15.182 ( 4.427 5.116 2.220) 7.121 15.688 ( 1.911 3.326 1.078) 3.985 18.653 ( -1.958 -3.484 -2.998) 4.996 18.900 ( 6.041 1.102 -7.157) 9.430 19.325 ( 3.258 1.612 -2.997) 4.711 19.423 ( -0.988 11.555 -5.446) 12.812 20.591 ( -1.406 1.187 4.261) 4.641 21.086 ( -3.481 -3.059 6.988) 8.385 21.288 ( 1.349 -5.800 9.628) 11.321 21.439 ( -4.167 -12.849 6.963) 15.197 22.102 ( 1.437 3.375 -0.299) 3.681 22.288 ( 3.590 9.952 -2.496) 10.870 22.572 ( -1.245 -1.491 -2.783) 3.394 22.622 ( -1.837 -1.466 -5.272) 5.772 ======================= Grid point 163 (75/90) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -22.923 -9.734 13.235) 28.203 3.535 ( 1.798 -13.952 6.677) 15.571 3.865 ( -23.495 -7.341 3.007) 24.798 4.382 ( 5.229 -15.499 -11.426) 19.953 4.683 ( 4.741 -0.238 -6.475) 8.028 4.776 ( -12.728 17.117 1.276) 21.369 5.131 ( 3.685 0.844 -4.039) 5.532 5.579 ( 5.335 -0.918 -5.789) 7.926 5.677 ( -3.972 -4.723 4.050) 7.382 6.416 ( 7.272 -1.575 -1.738) 7.641 6.553 ( 9.330 9.792 -0.221) 13.527 6.757 ( 1.083 12.722 -5.074) 13.739 7.323 ( -4.520 -8.191 7.972) 12.291 7.404 ( 8.555 -5.495 2.348) 10.435 7.720 ( -3.959 3.204 -0.304) 5.102 8.019 ( -8.182 1.767 -0.528) 8.387 8.238 ( -0.814 -5.385 5.880) 8.015 8.581 ( -1.669 5.264 12.264) 13.450 8.682 ( -3.424 -8.135 3.083) 9.350 8.843 ( 11.856 -3.579 3.089) 12.764 8.994 ( -5.810 -4.994 -2.409) 8.031 9.478 ( -6.956 0.408 -3.231) 7.681 9.499 ( -0.168 -3.309 3.413) 4.757 9.709 ( -3.297 9.828 3.340) 10.891 9.797 ( -0.459 1.659 0.185) 1.731 10.001 ( -5.541 3.380 -5.858) 8.743 10.195 ( 3.686 -5.906 2.674) 7.457 10.303 ( -5.778 -9.639 -5.041) 12.317 10.613 ( -0.886 9.199 0.981) 9.293 10.625 ( -6.032 -1.714 -4.005) 7.440 10.797 ( 6.227 -9.196 -0.886) 11.141 10.896 ( 2.656 -3.425 0.390) 4.352 11.112 ( 6.467 2.295 0.620) 6.890 11.234 ( 2.076 2.936 -2.388) 4.317 11.487 ( 8.337 10.771 0.931) 13.653 11.783 ( 7.817 0.252 12.311) 14.585 12.541 ( 2.163 -0.442 1.617) 2.736 12.585 ( -3.916 2.156 -5.247) 6.893 12.664 ( 4.346 0.633 -3.185) 5.425 12.774 ( -0.405 8.006 -6.636) 10.406 13.279 ( 7.677 12.653 -13.294) 19.894 13.629 ( 6.098 11.689 -8.531) 15.704 14.289 ( -6.442 -13.229 1.385) 14.779 14.408 ( -8.621 -4.835 3.811) 10.594 14.602 ( -8.228 -1.174 3.606) 9.060 14.883 ( 3.487 -12.359 5.194) 13.852 15.299 ( 2.213 5.936 0.945) 6.405 15.740 ( 1.642 1.466 0.241) 2.214 18.595 ( -0.174 -1.503 -0.134) 1.519 18.938 ( 8.448 3.293 -7.730) 11.915 19.350 ( 1.239 4.864 -1.631) 5.278 19.510 ( 5.184 9.646 -0.587) 10.966 20.575 ( -5.041 -0.147 0.899) 5.123 21.049 ( -6.696 -4.163 1.516) 8.029 21.160 ( -5.498 -13.245 1.783) 14.451 21.569 ( 3.208 -5.619 14.733) 16.091 22.187 ( 3.816 4.045 3.159) 6.395 22.333 ( -0.233 7.204 -8.536) 11.172 22.435 ( -3.331 -3.648 -3.151) 5.859 22.600 ( 0.621 0.663 -0.903) 1.281 ======================= Grid point 164 (76/90) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -25.130 -3.394 20.484) 32.598 3.326 ( -29.599 -5.735 -0.790) 30.160 3.557 ( 3.134 -13.793 -1.910) 14.273 4.068 ( 6.217 -20.542 -17.754) 27.854 4.676 ( -4.203 -6.686 4.303) 8.994 4.897 ( -4.196 18.062 7.697) 20.077 5.145 ( 1.816 3.928 -1.992) 4.764 5.585 ( -0.446 5.615 -0.150) 5.634 5.769 ( 11.865 -4.246 3.519) 13.084 6.451 ( 2.607 -1.135 -2.159) 3.571 6.737 ( 4.142 -0.100 3.431) 5.379 6.874 ( 7.226 17.764 -5.216) 19.874 7.251 ( -3.048 -2.121 1.010) 3.848 7.465 ( 2.109 -11.440 8.038) 14.140 7.782 ( 5.243 4.847 -0.538) 7.160 7.881 ( -8.022 3.397 -4.269) 9.701 8.228 ( 0.555 -3.025 -1.869) 3.599 8.482 ( -6.755 -3.335 -10.038) 12.550 8.839 ( 3.715 3.539 14.317) 15.209 8.889 ( 1.285 -12.394 1.300) 12.528 9.004 ( 7.095 -0.115 1.869) 7.338 9.257 ( -13.226 -0.602 -4.429) 13.961 9.478 ( -1.893 -8.043 2.019) 8.506 9.743 ( -5.431 -4.276 -12.263) 14.077 9.755 ( -2.645 -2.187 2.121) 4.034 9.813 ( -8.193 9.034 4.309) 12.934 10.005 ( -6.821 -9.455 -2.997) 12.038 10.332 ( 0.789 -1.807 3.949) 4.413 10.504 ( -1.118 1.399 -0.313) 1.818 10.658 ( -2.835 2.128 0.802) 3.635 10.867 ( 10.185 0.688 -3.368) 10.749 10.918 ( 3.640 -3.451 0.078) 5.017 11.231 ( 1.277 4.553 -1.860) 5.081 11.288 ( 6.305 8.315 -2.548) 10.742 11.708 ( 5.259 8.564 2.186) 10.285 11.922 ( -1.865 -3.422 2.007) 4.384 12.507 ( -3.851 2.988 1.524) 5.107 12.609 ( 3.188 0.310 1.322) 3.465 12.744 ( 9.623 2.912 -3.290) 10.579 12.805 ( 5.710 3.199 2.092) 6.871 13.375 ( 8.481 10.379 -6.419) 14.861 13.743 ( 2.480 8.999 -0.447) 9.345 14.092 ( -6.298 -11.794 -0.312) 13.374 14.277 ( -5.341 -1.593 -2.716) 6.200 14.495 ( -11.429 -0.296 3.841) 12.061 14.900 ( 6.551 -13.812 3.026) 15.583 15.364 ( -1.288 7.882 -0.648) 8.012 15.770 ( 1.670 -0.558 -0.272) 1.781 18.626 ( 3.114 0.299 2.639) 4.093 18.989 ( 7.448 6.781 -10.590) 14.615 19.431 ( 3.064 6.957 1.531) 7.755 19.698 ( 7.875 6.682 3.845) 11.020 20.498 ( -4.947 -0.506 0.305) 4.983 20.857 ( -9.840 -7.756 -2.253) 12.730 21.012 ( -4.757 -9.193 -0.597) 10.368 21.669 ( -1.526 -9.507 6.432) 11.579 22.207 ( -6.285 4.290 -4.266) 8.723 22.318 ( 0.840 3.177 2.791) 4.312 22.430 ( 7.407 -0.563 0.029) 7.428 22.605 ( -0.108 1.056 -0.080) 1.065 ======================= Grid point 169 (77/90) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -1.738 -9.193 19.929) 22.016 3.643 ( 15.294 -5.823 5.298) 17.202 3.909 ( 2.014 -5.009 11.296) 12.520 3.990 ( 9.710 -20.129 1.637) 22.408 4.841 ( 0.866 11.443 -5.860) 12.885 5.071 ( -4.591 -6.988 -8.171) 11.691 5.168 ( 3.747 6.867 -11.163) 13.631 5.721 ( 3.180 -7.059 -4.683) 9.048 6.068 ( -5.414 -3.382 -5.818) 8.637 6.119 ( -1.601 11.191 -11.429) 16.076 6.417 ( -7.754 7.933 -7.644) 13.472 6.671 ( 2.376 4.992 -3.353) 6.466 7.112 ( -3.848 -6.092 12.781) 14.672 7.482 ( -4.132 5.827 10.277) 12.516 7.865 ( 5.911 -7.034 1.955) 9.394 8.067 ( 10.595 2.410 -2.038) 11.055 8.164 ( -3.108 -0.248 11.664) 12.074 8.327 ( 0.813 -8.656 5.767) 10.433 8.719 ( 0.318 -8.348 10.622) 13.514 8.808 ( -4.184 3.962 -2.090) 6.130 9.238 ( -3.663 1.186 8.771) 9.579 9.306 ( 11.083 1.839 7.403) 13.454 9.450 ( 0.976 1.526 3.106) 3.596 9.551 ( 1.095 -2.755 1.176) 3.189 9.772 ( -4.910 5.463 -1.564) 7.509 10.021 ( 5.498 4.237 -5.185) 8.664 10.183 ( -4.172 -6.354 2.860) 8.121 10.442 ( 1.858 6.586 -0.469) 6.859 10.570 ( -0.266 -3.816 7.403) 8.332 10.736 ( 5.601 -7.959 -8.756) 13.091 10.871 ( -3.441 -3.657 -0.857) 5.094 11.023 ( -3.333 2.527 -0.222) 4.189 11.111 ( -6.091 2.642 -4.852) 8.223 11.169 ( 0.977 -7.384 -6.686) 10.009 11.377 ( -1.487 6.798 7.127) 9.962 11.492 ( -5.167 6.208 3.469) 8.791 12.521 ( -3.460 -0.363 -2.357) 4.202 12.633 ( -2.073 -0.208 -3.329) 3.927 12.659 ( 2.339 5.653 -3.890) 7.250 12.916 ( 0.267 8.955 -9.254) 12.880 13.119 ( -5.571 14.326 -6.296) 16.610 13.627 ( -0.053 -1.747 -24.186) 24.249 14.423 ( 6.550 -10.179 5.850) 13.444 14.472 ( 4.647 -10.179 7.315) 13.368 14.628 ( 2.439 -4.197 3.989) 6.283 15.071 ( 1.298 0.545 2.485) 2.856 15.139 ( -6.021 4.861 2.522) 8.139 15.655 ( -0.822 1.600 2.173) 2.821 18.665 ( 1.523 -2.606 -2.006) 3.624 18.873 ( -4.390 -1.123 -8.725) 9.831 19.305 ( -2.529 4.190 -2.811) 5.644 19.474 ( -1.790 11.723 -5.358) 13.013 20.556 ( 3.020 -1.744 4.628) 5.795 21.062 ( 4.648 -4.862 8.094) 10.524 21.267 ( 0.038 -8.126 7.108) 10.796 21.496 ( 1.053 -7.461 8.403) 11.286 22.116 ( -1.334 2.612 -1.123) 3.141 22.270 ( -3.294 10.031 -2.163) 10.777 22.591 ( -0.693 0.268 -0.379) 0.834 22.612 ( 3.252 -2.396 -7.300) 8.343 ======================= Grid point 170 (78/90) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -7.715 -18.241 13.557) 24.001 3.715 ( -3.526 -11.196 5.107) 12.801 4.007 ( 14.327 -11.510 7.777) 19.955 4.122 ( 8.297 -6.159 -2.290) 10.584 4.810 ( -7.556 -3.961 -8.618) 12.126 4.931 ( 7.743 3.781 -5.514) 10.230 5.098 ( -7.118 11.418 -8.005) 15.656 5.484 ( -6.551 -8.665 -7.305) 13.091 5.896 ( -2.136 5.868 -3.419) 7.120 6.262 ( -0.313 9.463 -3.877) 10.231 6.348 ( 3.893 8.883 -1.031) 9.753 6.717 ( 1.547 8.209 -3.085) 8.905 7.192 ( 1.670 -7.530 11.434) 13.792 7.540 ( -8.303 -3.580 10.448) 13.818 7.833 ( -1.452 -1.950 -3.414) 4.191 8.136 ( 5.629 -0.632 -4.056) 6.966 8.277 ( -3.952 -0.946 10.882) 11.616 8.410 ( 12.773 -13.584 9.115) 20.755 8.731 ( -5.087 3.393 0.008) 6.115 8.767 ( -2.035 -3.985 3.988) 5.993 9.244 ( -7.224 -5.453 2.663) 9.435 9.426 ( 4.510 -7.864 -0.671) 9.090 9.557 ( 1.576 6.185 3.611) 7.334 9.668 ( 5.086 1.987 3.902) 6.711 9.770 ( -1.644 9.879 0.626) 10.034 9.986 ( 4.690 -1.548 -6.121) 7.866 10.185 ( -0.395 4.964 1.762) 5.282 10.477 ( -5.661 -2.444 -2.278) 6.574 10.577 ( 0.824 -8.061 -1.288) 8.204 10.637 ( 5.769 -4.633 -2.613) 7.847 10.826 ( -0.139 3.035 3.672) 4.766 10.907 ( -6.997 -6.370 -4.292) 10.390 11.050 ( 1.895 -4.194 -2.154) 5.081 11.069 ( -1.257 1.751 1.652) 2.716 11.478 ( -3.354 14.713 -5.941) 16.218 11.600 ( 1.243 -1.396 18.821) 18.914 12.491 ( 1.011 -0.133 0.223) 1.043 12.582 ( 0.120 0.702 -3.007) 3.090 12.666 ( -1.288 4.806 -3.500) 6.083 12.879 ( -2.659 13.183 -8.061) 15.679 13.155 ( 0.309 16.110 -10.347) 19.149 13.398 ( 5.644 9.666 -18.713) 21.805 14.432 ( -3.067 -13.207 4.191) 14.191 14.505 ( 8.122 -12.372 2.624) 15.031 14.635 ( -4.026 -7.090 6.080) 10.171 15.086 ( -10.102 0.744 4.819) 11.217 15.149 ( 6.394 1.529 0.222) 6.578 15.703 ( 1.115 2.895 0.904) 3.232 18.636 ( -1.488 -1.851 0.587) 2.447 18.767 ( 2.245 0.164 -5.840) 6.258 19.295 ( 0.123 4.864 -2.140) 5.316 19.492 ( -1.690 14.370 -4.846) 15.259 20.627 ( 1.835 -2.003 2.128) 3.451 21.136 ( 0.357 -7.091 5.114) 8.750 21.236 ( 1.757 -16.109 1.911) 16.317 21.553 ( -3.190 -4.100 14.908) 15.787 22.111 ( 0.463 5.627 -2.883) 6.339 22.306 ( 0.491 8.234 -3.394) 8.919 22.535 ( -0.943 -0.807 -5.961) 6.089 22.582 ( 0.126 -0.119 -0.377) 0.415 ======================= Grid point 172 (79/90) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( -4.943 -23.805 3.361) 24.544 3.644 ( -8.822 -5.770 11.232) 15.404 3.933 ( 1.448 -21.550 -16.798) 27.362 4.143 ( -7.048 -7.982 7.009) 12.749 4.573 ( -3.175 2.158 -7.625) 8.537 4.912 ( 2.762 2.549 -8.149) 8.974 5.147 ( 1.624 12.078 1.604) 12.292 5.439 ( 6.222 1.934 3.447) 7.371 5.878 ( -10.038 8.136 2.954) 13.254 6.270 ( 5.150 1.077 -4.845) 7.152 6.525 ( 6.535 9.991 0.225) 11.940 6.777 ( 2.211 8.775 -2.506) 9.390 7.301 ( 5.556 -8.672 9.572) 14.060 7.438 ( -9.299 -6.234 3.082) 11.611 7.791 ( -2.232 2.917 0.438) 3.699 8.121 ( -2.878 0.856 -2.295) 3.779 8.296 ( -2.293 -7.986 4.334) 9.371 8.598 ( 12.275 -9.974 -0.116) 15.817 8.655 ( -6.170 -12.881 0.795) 14.305 8.753 ( 0.633 7.394 5.340) 9.143 9.064 ( -9.062 -0.637 -0.045) 9.084 9.420 ( 2.209 -5.188 -0.969) 5.721 9.560 ( -4.126 -2.528 -0.720) 4.892 9.748 ( 1.686 -2.230 2.568) 3.796 9.791 ( 0.424 2.457 -9.201) 9.533 10.035 ( 8.017 -4.565 -3.827) 9.988 10.180 ( -13.796 8.484 0.866) 16.218 10.328 ( -1.977 -4.437 3.559) 6.022 10.541 ( 4.219 -0.812 -4.670) 6.346 10.624 ( 1.451 -9.060 -2.793) 9.591 10.802 ( -2.949 2.290 6.839) 7.791 10.893 ( -2.162 -0.455 1.811) 2.857 11.075 ( 3.871 5.924 1.954) 7.341 11.164 ( 7.163 0.800 1.593) 7.381 11.508 ( 1.695 13.528 -3.278) 14.023 11.838 ( 4.595 -3.705 14.516) 15.670 12.512 ( 0.694 -0.727 -0.820) 1.297 12.568 ( 1.958 1.576 -3.148) 4.028 12.638 ( -2.252 5.697 -1.943) 6.427 12.843 ( -4.330 12.635 -6.930) 15.047 13.155 ( 4.340 13.106 -8.824) 16.384 13.517 ( 10.244 17.881 -7.483) 21.924 14.270 ( -5.940 -14.832 0.999) 16.009 14.521 ( -6.423 -9.124 2.859) 11.518 14.556 ( 5.603 -10.307 1.246) 11.798 14.983 ( -11.456 -2.045 5.266) 12.773 15.278 ( 7.453 2.939 0.382) 8.021 15.739 ( 0.316 1.703 0.096) 1.735 18.621 ( -2.395 0.434 3.004) 3.867 18.777 ( 5.933 2.318 -5.278) 8.272 19.344 ( 3.108 5.202 -0.260) 6.066 19.565 ( 0.998 15.024 -2.134) 15.207 20.603 ( -1.742 -3.636 -2.058) 4.527 21.092 ( -0.533 -13.434 1.610) 13.541 21.100 ( -5.632 -10.946 0.930) 12.345 21.689 ( -0.260 -5.019 15.572) 16.363 22.143 ( 2.990 4.909 -5.982) 8.296 22.326 ( 0.734 5.054 -3.241) 6.048 22.444 ( -3.424 1.253 -2.340) 4.333 22.589 ( 1.070 0.756 0.038) 1.310 ======================= Grid point 173 (80/90) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.939 -26.440 -3.707) 26.715 3.534 ( 4.100 -24.240 -13.550) 28.071 3.632 ( -16.334 -1.099 8.544) 18.467 3.832 ( -22.350 -1.048 1.806) 22.447 4.626 ( 7.472 -0.730 1.626) 7.681 4.937 ( 5.617 2.841 -2.992) 6.970 5.276 ( 0.336 10.975 0.824) 11.011 5.661 ( 7.350 7.231 4.592) 11.287 5.806 ( -14.067 3.900 6.357) 15.922 6.302 ( 9.056 -2.505 -3.304) 9.960 6.701 ( 7.798 5.695 1.029) 9.711 6.899 ( 4.660 12.400 -1.458) 13.326 7.276 ( -7.472 -3.521 -1.845) 8.464 7.440 ( 6.114 -6.725 9.355) 13.044 7.781 ( -2.484 -3.047 0.776) 4.007 8.021 ( -9.449 5.285 -2.753) 11.171 8.170 ( -2.655 -6.714 -7.722) 10.571 8.397 ( -4.566 -3.389 -4.326) 7.145 8.658 ( 5.705 -16.142 -1.769) 17.212 8.943 ( 5.462 5.798 3.746) 8.802 9.039 ( -1.307 0.986 6.901) 7.092 9.323 ( -5.529 -4.997 -5.059) 9.007 9.439 ( -5.111 -9.769 -0.243) 11.027 9.607 ( -2.436 -6.576 -7.278) 10.107 9.801 ( 1.994 -3.028 5.715) 6.768 9.955 ( -1.759 -9.946 -2.301) 10.359 10.103 ( -8.953 10.678 1.857) 14.058 10.381 ( -0.330 -0.454 4.768) 4.801 10.467 ( 1.467 -1.908 -3.860) 4.549 10.698 ( 9.222 5.072 -2.484) 10.813 10.784 ( -7.751 0.283 3.006) 8.318 10.919 ( -1.180 0.816 4.273) 4.508 11.216 ( 2.461 4.122 -1.051) 4.915 11.268 ( 4.955 10.472 -1.041) 11.632 11.681 ( 8.322 5.349 0.485) 9.904 11.925 ( -1.689 -1.866 -1.238) 2.805 12.505 ( 4.869 -2.884 -1.272) 5.800 12.614 ( 1.580 4.135 2.185) 4.936 12.693 ( 1.695 4.466 3.726) 6.058 12.833 ( -0.847 9.380 -1.235) 9.499 13.294 ( 7.728 11.053 -1.139) 13.535 13.718 ( 8.047 12.583 -4.385) 15.566 14.065 ( -5.730 -12.661 -0.301) 13.900 14.333 ( -8.905 -6.620 -1.771) 11.237 14.571 ( 3.403 -6.946 -0.193) 7.737 14.858 ( -8.918 -5.810 4.777) 11.666 15.405 ( 4.142 5.772 0.208) 7.107 15.745 ( 0.012 -0.335 -0.407) 0.527 18.654 ( -0.506 2.188 4.469) 5.001 18.821 ( 6.142 4.276 -7.461) 10.567 19.473 ( 4.530 8.324 2.695) 9.852 19.727 ( 5.181 12.542 2.190) 13.745 20.495 ( -1.547 -5.484 -3.780) 6.838 20.916 ( -9.364 -8.463 0.426) 12.629 20.950 ( -2.792 -13.541 -2.010) 13.971 21.744 ( -7.639 -6.923 5.973) 11.915 22.133 ( 7.085 2.163 -6.451) 9.823 22.326 ( -0.058 -1.160 -1.408) 1.825 22.452 ( -0.772 4.725 3.209) 5.764 22.634 ( 1.096 3.420 1.952) 4.088 ======================= Grid point 179 (81/90) ======================= q-point: ( 0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 28.102 -10.459 11.025) 31.948 3.510 ( 17.081 -22.287 -1.660) 28.128 3.888 ( 3.855 4.786 6.258) 8.771 3.985 ( -12.522 -21.349 10.218) 26.777 4.793 ( 6.404 -1.287 -15.526) 16.844 4.831 ( 0.524 7.299 -5.052) 8.893 5.191 ( 0.276 6.042 -1.334) 6.194 5.624 ( 2.438 2.073 -1.433) 3.507 6.074 ( 5.089 11.178 1.516) 12.375 6.166 ( -17.524 -5.311 -11.679) 21.718 6.539 ( -6.739 8.332 -1.898) 10.883 6.710 ( -2.343 7.274 0.832) 7.687 7.280 ( -5.576 -5.641 10.734) 13.346 7.640 ( 11.535 -5.396 -4.322) 13.448 7.677 ( 2.795 3.651 9.708) 10.742 7.976 ( 1.932 4.101 -3.169) 5.531 8.181 ( -0.700 -14.785 3.578) 15.228 8.452 ( -6.028 4.624 8.478) 11.384 8.728 ( 5.994 -6.320 10.507) 13.648 8.814 ( -0.652 -6.407 -5.535) 8.491 9.162 ( 3.529 -6.160 -0.860) 7.151 9.297 ( 5.073 0.928 1.786) 5.457 9.462 ( 1.378 0.646 4.234) 4.499 9.606 ( 1.988 1.205 3.913) 4.552 9.888 ( 1.803 3.717 1.137) 4.285 9.959 ( -0.098 3.097 -7.867) 8.455 10.208 ( -3.657 -6.319 3.384) 8.047 10.416 ( 4.182 -1.178 0.923) 4.442 10.498 ( 2.621 -0.651 -6.597) 7.128 10.588 ( 1.894 -2.574 -0.222) 3.204 10.914 ( -3.615 -1.725 0.745) 4.074 11.064 ( -0.757 2.319 -6.499) 6.941 11.110 ( -6.970 1.202 0.261) 7.078 11.151 ( -4.037 1.090 0.167) 4.185 11.523 ( -2.801 11.815 -1.862) 12.285 11.740 ( -6.903 -0.876 14.022) 15.654 12.511 ( 0.200 -1.982 -3.281) 3.839 12.621 ( 1.086 4.618 -3.336) 5.800 12.698 ( -5.010 5.325 -0.143) 7.313 12.836 ( 0.338 7.061 -10.527) 12.680 13.244 ( -5.867 10.209 -8.150) 14.320 13.491 ( -9.157 5.564 -8.041) 13.397 14.245 ( 8.292 -12.407 2.128) 15.074 14.433 ( 4.067 -9.635 6.765) 12.456 14.554 ( 9.253 -1.499 1.949) 9.574 15.066 ( -1.482 -5.980 0.523) 6.183 15.268 ( -1.509 8.288 0.589) 8.445 15.713 ( -2.459 0.403 1.858) 3.109 18.639 ( 0.560 1.183 1.426) 1.936 18.829 ( -6.131 -3.019 -8.316) 10.764 19.385 ( -4.616 8.250 -2.026) 9.668 19.575 ( -4.898 12.502 -2.327) 13.627 20.503 ( 5.463 -5.259 2.717) 8.055 21.011 ( 7.551 -7.420 5.342) 11.858 21.140 ( 4.082 -12.019 -0.705) 12.713 21.678 ( -3.596 -0.636 16.166) 16.573 22.111 ( 0.574 0.330 -5.510) 5.550 22.327 ( -0.754 3.654 -3.465) 5.092 22.483 ( 1.726 0.693 -2.825) 3.382 22.614 ( -1.406 2.854 -1.001) 3.336 ======================= Grid point 180 (82/90) ======================= q-point: ( 0.50 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( 13.003 -15.490 1.578) 20.286 3.715 ( -10.106 -24.381 7.046) 27.317 3.781 ( 22.156 -7.910 12.940) 26.849 3.895 ( -0.152 -8.378 -9.909) 12.977 4.721 ( 3.639 0.254 -5.768) 6.824 4.885 ( 1.759 8.770 -2.511) 9.290 5.142 ( -7.512 2.649 -5.405) 9.626 5.550 ( -9.476 3.495 -2.997) 10.536 5.863 ( 0.193 -0.068 -6.075) 6.078 6.303 ( 6.361 8.413 2.519) 10.843 6.488 ( -9.872 14.755 -0.501) 17.760 6.764 ( -0.833 7.737 0.191) 7.784 7.261 ( -2.948 -8.555 7.632) 11.837 7.665 ( 2.292 -4.651 -3.505) 6.259 7.827 ( -0.129 1.612 6.309) 6.512 7.939 ( 2.305 -2.610 -7.214) 8.010 8.221 ( 9.444 -14.599 9.963) 20.039 8.420 ( -3.486 -6.686 4.359) 8.710 8.739 ( 0.585 4.083 -1.934) 4.556 8.877 ( -2.318 -1.748 7.189) 7.753 9.196 ( 11.296 -5.440 -1.402) 12.616 9.337 ( -1.853 -4.228 0.279) 4.625 9.547 ( 4.455 -0.965 1.432) 4.778 9.654 ( 1.848 0.202 -1.461) 2.365 9.847 ( -3.535 4.014 -5.043) 7.351 9.950 ( -5.982 0.670 -0.925) 6.090 10.151 ( 7.808 -6.759 1.248) 10.402 10.455 ( 1.856 -0.053 -1.283) 2.257 10.499 ( 3.416 -2.765 -3.583) 5.670 10.563 ( -3.973 -1.124 3.631) 5.498 10.846 ( -3.036 -9.647 -0.598) 10.132 10.921 ( -1.569 3.520 -1.094) 4.006 11.090 ( -3.479 6.295 0.647) 7.221 11.130 ( -3.768 2.382 1.634) 4.747 11.580 ( -2.564 13.819 -3.554) 14.497 11.824 ( -3.355 -3.609 14.988) 15.777 12.502 ( 0.199 0.644 2.309) 2.406 12.594 ( -3.350 2.946 -1.491) 4.704 12.684 ( -1.608 4.330 -5.367) 7.081 12.818 ( 6.648 11.431 -11.354) 17.429 13.151 ( -4.641 11.354 -9.091) 15.267 13.436 ( -6.047 18.789 0.136) 19.739 14.291 ( 9.420 -13.477 1.752) 16.536 14.403 ( -1.941 -13.347 3.006) 13.818 14.653 ( 1.465 -5.945 2.729) 6.704 15.025 ( 6.582 -4.191 -2.331) 8.144 15.278 ( -7.068 3.986 2.128) 8.389 15.727 ( 0.178 1.979 1.094) 2.269 18.682 ( -0.619 1.018 0.111) 1.196 18.698 ( -0.845 1.637 -0.357) 1.877 19.354 ( -4.527 6.610 -1.573) 8.165 19.590 ( -2.775 14.392 -4.270) 15.267 20.568 ( 4.206 -4.569 1.249) 6.335 21.058 ( 1.977 -14.851 0.137) 14.983 21.110 ( 5.662 -8.957 4.459) 11.497 21.749 ( -4.528 -6.796 12.374) 14.826 22.097 ( 2.181 7.360 -4.845) 9.078 22.321 ( -0.533 3.464 -2.097) 4.084 22.462 ( 0.893 0.819 -4.404) 4.568 22.600 ( -1.778 1.817 -0.751) 2.651 ======================= Grid point 181 (83/90) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( -9.430 -30.091 1.595) 31.574 3.509 ( -4.498 -24.286 -20.829) 32.309 3.715 ( 7.697 -3.978 6.288) 10.705 4.177 ( 13.837 -5.834 15.367) 21.485 4.661 ( -16.962 3.670 -8.973) 19.536 4.804 ( 2.142 3.674 -5.173) 6.696 5.132 ( 5.759 4.606 0.045) 7.374 5.508 ( -0.008 6.024 2.998) 6.729 5.923 ( 10.061 0.521 -1.558) 10.195 6.349 ( -10.455 7.840 0.645) 13.084 6.564 ( 0.028 14.623 1.783) 14.731 6.784 ( 0.115 4.061 -3.416) 5.308 7.276 ( 3.205 -5.945 6.155) 9.138 7.574 ( -8.996 -3.361 3.311) 10.158 7.839 ( -0.763 -2.320 -3.937) 4.633 7.924 ( 12.113 -0.254 -9.754) 15.554 8.233 ( -0.666 -11.018 2.332) 11.281 8.472 ( 3.847 -9.479 9.288) 13.817 8.771 ( -9.921 -0.157 4.540) 10.911 8.841 ( -2.014 5.414 0.207) 5.780 9.192 ( -7.548 -3.894 1.082) 8.562 9.280 ( 8.722 -2.845 -8.095) 12.235 9.562 ( -1.592 -3.982 0.656) 4.339 9.679 ( 1.099 -2.132 -1.308) 2.732 9.747 ( -2.603 -4.884 0.150) 5.537 9.867 ( 2.095 -1.762 -5.610) 6.242 10.229 ( 8.646 -12.704 -0.315) 15.371 10.418 ( -1.533 -1.785 -1.018) 2.564 10.439 ( -3.021 5.416 -2.442) 6.666 10.569 ( -2.842 -0.322 2.632) 3.887 10.864 ( 7.011 -0.181 7.373) 10.176 10.960 ( -0.771 0.615 1.237) 1.582 11.114 ( 0.025 4.179 2.992) 5.139 11.165 ( -0.122 7.914 1.386) 8.036 11.585 ( -3.845 11.688 -3.571) 12.812 11.920 ( 0.066 -4.722 8.819) 10.004 12.500 ( -3.534 -0.238 -3.922) 5.285 12.570 ( -0.635 3.050 0.387) 3.140 12.674 ( 1.750 7.444 0.061) 7.647 12.872 ( 3.263 11.658 -9.145) 15.172 13.171 ( 0.051 14.085 -0.134) 14.086 13.551 ( -0.997 17.269 0.299) 17.300 14.237 ( -4.429 -14.427 0.167) 15.092 14.353 ( 8.075 -11.317 2.176) 14.071 14.552 ( -5.055 -10.326 -1.289) 11.569 15.129 ( 8.667 -0.150 -2.171) 8.937 15.204 ( -7.015 1.200 3.448) 7.909 15.758 ( 0.006 1.934 0.471) 1.991 18.674 ( 3.161 2.089 -3.419) 5.103 18.758 ( -4.458 4.995 7.100) 9.758 19.359 ( 0.687 6.135 -0.066) 6.174 19.645 ( 0.743 14.373 -3.794) 14.884 20.542 ( -0.764 -5.706 -2.745) 6.378 20.966 ( 1.060 -15.105 1.314) 15.199 21.104 ( -1.510 -9.096 1.962) 9.427 21.800 ( 2.866 -6.965 9.178) 11.873 22.100 ( -4.343 3.981 -5.355) 7.961 22.314 ( 0.295 2.300 -1.904) 3.001 22.456 ( 2.222 5.090 -2.377) 6.041 22.588 ( -0.058 0.556 0.412) 0.695 ======================= Grid point 182 (84/90) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -6.619 -34.481 -6.462) 35.700 3.021 ( 2.383 -30.133 -12.920) 32.873 3.907 ( 4.129 5.684 8.266) 10.848 4.130 ( -25.888 0.549 -7.027) 26.831 4.540 ( 9.230 -3.309 7.691) 12.461 4.860 ( 4.871 0.676 -2.317) 5.436 5.226 ( 6.054 -0.510 -3.642) 7.084 5.640 ( 6.216 4.214 -0.289) 7.515 6.125 ( 13.123 5.899 4.391) 15.043 6.205 ( -18.800 3.603 4.617) 19.691 6.680 ( 2.148 7.819 -0.872) 8.156 6.870 ( 7.980 11.099 -1.065) 13.711 7.368 ( 5.311 -7.413 3.542) 9.783 7.415 ( -14.437 -0.411 -1.814) 14.556 7.691 ( 3.166 -7.677 -7.816) 11.404 8.027 ( 6.598 4.873 -0.925) 8.255 8.167 ( -6.216 1.690 1.180) 6.549 8.475 ( -2.817 -8.106 1.028) 8.643 8.610 ( -14.499 -6.300 9.513) 18.450 8.891 ( 5.855 9.216 -9.394) 14.403 9.121 ( -2.979 -0.620 -0.318) 3.060 9.234 ( 1.591 -7.206 -5.455) 9.177 9.435 ( -5.435 -7.566 -2.675) 9.692 9.570 ( -4.896 -6.298 -0.140) 7.979 9.805 ( 4.851 -4.693 11.580) 13.403 9.824 ( 3.030 -7.419 -2.162) 8.301 10.183 ( 2.228 -5.215 -2.292) 6.116 10.393 ( 1.012 -2.634 -1.326) 3.118 10.474 ( -1.980 5.638 3.326) 6.839 10.601 ( 4.497 3.488 -2.583) 6.249 10.930 ( -5.578 1.540 2.875) 6.462 11.025 ( -0.240 2.262 5.464) 5.918 11.206 ( 1.838 1.281 0.370) 2.271 11.288 ( 4.653 12.103 0.945) 13.000 11.623 ( 2.786 4.281 -0.743) 5.161 11.910 ( -1.843 -0.370 -4.480) 4.859 12.430 ( 0.919 -2.249 0.335) 2.453 12.627 ( 3.024 3.600 1.628) 4.975 12.789 ( -0.905 5.827 3.742) 6.983 12.908 ( 0.907 10.439 -2.494) 10.771 13.327 ( 2.752 10.514 4.559) 11.785 13.663 ( 3.202 7.532 -3.856) 9.047 14.058 ( -5.413 -8.620 0.974) 10.226 14.344 ( -5.664 -9.482 -3.664) 11.637 14.410 ( 6.958 -7.981 0.431) 10.597 15.032 ( -11.054 -1.886 0.896) 11.249 15.341 ( 10.167 3.846 1.133) 10.930 15.760 ( -1.916 0.977 -0.347) 2.178 18.707 ( 3.894 3.517 -4.482) 6.901 18.806 ( -6.422 5.295 7.313) 11.080 19.500 ( 6.766 8.496 3.594) 11.440 19.772 ( 5.446 13.492 -1.350) 14.613 20.409 ( -2.730 -7.600 -4.110) 9.061 20.845 ( -2.265 -13.515 -1.082) 13.746 20.982 ( -6.740 -8.109 1.284) 10.622 21.888 ( -12.650 -4.225 -3.524) 13.794 21.939 ( 10.868 -3.119 0.513) 11.319 22.313 ( -0.234 -0.816 -0.064) 0.852 22.513 ( -0.052 4.208 -0.115) 4.210 22.657 ( 4.231 5.067 1.999) 6.897 ======================= Grid point 228 (85/90) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.833 ( -0.000 -0.000 7.321) 7.321 3.868 ( -0.000 0.000 20.939) 20.939 3.868 ( -0.000 -0.000 20.939) 20.939 4.603 ( 0.000 0.000 -3.022) 3.022 4.603 ( 0.000 0.000 -3.022) 3.022 4.704 ( 0.000 0.000 -1.837) 1.837 5.447 ( 0.000 0.000 -16.300) 16.300 5.880 ( 0.000 0.000 -19.794) 19.794 5.880 ( 0.000 -0.000 -19.794) 19.794 6.148 ( 0.000 0.000 -1.418) 1.418 6.148 ( 0.000 -0.000 -1.418) 1.418 6.602 ( 0.000 0.000 -9.606) 9.606 7.268 ( -0.000 0.000 14.501) 14.501 7.268 ( -0.000 -0.000 14.501) 14.501 8.100 ( -0.000 -0.000 10.511) 10.511 8.111 ( -0.000 0.000 -1.871) 1.871 8.111 ( 0.000 -0.000 -1.871) 1.871 8.425 ( -0.000 -0.000 18.808) 18.808 8.685 ( -0.000 -0.000 1.507) 1.507 8.989 ( -0.000 0.000 10.085) 10.085 8.989 ( -0.000 -0.000 10.085) 10.085 9.362 ( -0.000 -0.000 7.964) 7.964 9.362 ( -0.000 -0.000 7.964) 7.964 9.701 ( 0.000 0.000 -3.991) 3.991 9.701 ( 0.000 0.000 -3.991) 3.991 10.145 ( 0.000 0.000 -4.066) 4.066 10.145 ( 0.000 -0.000 -4.066) 4.066 10.300 ( -0.000 -0.000 5.765) 5.765 10.639 ( -0.000 -0.000 9.684) 9.684 10.900 ( 0.000 0.000 -1.896) 1.896 10.921 ( 0.000 -0.000 -4.280) 4.280 10.921 ( 0.000 -0.000 -4.280) 4.280 11.126 ( 0.000 0.000 -8.583) 8.583 11.126 ( 0.000 0.000 -8.583) 8.583 11.177 ( -0.000 -0.000 7.644) 7.644 11.560 ( -0.000 -0.000 9.381) 9.381 12.529 ( 0.000 0.000 -2.299) 2.299 12.529 ( 0.000 -0.000 -2.299) 2.299 12.719 ( 0.000 0.000 -6.892) 6.892 12.719 ( 0.000 -0.000 -6.892) 6.892 12.838 ( 0.000 0.000 -11.798) 11.798 13.649 ( 0.000 0.000 -31.097) 31.097 14.590 ( -0.000 -0.000 11.075) 11.075 14.716 ( -0.000 0.000 3.490) 3.490 14.716 ( -0.000 0.000 3.490) 3.490 15.027 ( -0.000 -0.000 4.013) 4.013 15.027 ( -0.000 -0.000 4.013) 4.013 15.617 ( -0.000 -0.000 2.472) 2.472 18.781 ( 0.000 -0.000 -5.233) 5.233 18.781 ( 0.000 -0.000 -5.233) 5.233 19.277 ( 0.000 0.000 -5.628) 5.628 19.277 ( 0.000 0.000 -5.628) 5.628 20.590 ( -0.000 -0.000 7.882) 7.882 21.231 ( -0.000 -0.000 11.505) 11.505 21.231 ( -0.000 -0.000 11.505) 11.505 21.888 ( -0.000 0.000 -1.166) 1.166 21.888 ( 0.000 -0.000 -1.166) 1.166 22.070 ( 0.000 0.000 -0.208) 0.208 22.583 ( 0.000 0.000 -0.892) 0.892 22.678 ( 0.000 0.000 -7.883) 7.883 ======================= Grid point 229 (86/90) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( -10.622 -7.771 10.948) 17.120 3.896 ( -7.453 -10.813 14.003) 19.198 4.188 ( -5.253 7.294 10.338) 13.699 4.334 ( -11.108 0.703 3.959) 11.813 4.620 ( 1.701 1.573 -7.443) 7.795 4.845 ( 14.323 -1.597 -7.385) 16.194 5.107 ( -11.845 -4.243 -13.355) 18.349 5.605 ( -0.639 -5.095 -12.749) 13.745 5.857 ( 9.180 1.064 -10.111) 13.698 6.060 ( 0.597 3.749 0.533) 3.833 6.262 ( 5.433 6.809 -3.841) 9.520 6.565 ( 5.022 2.748 -3.939) 6.949 7.371 ( -4.018 1.310 13.112) 13.776 7.525 ( 5.218 -2.997 15.769) 16.878 7.913 ( -7.629 -9.361 -6.246) 13.596 8.080 ( -5.436 3.628 -3.895) 7.608 8.254 ( 3.601 1.461 10.273) 10.983 8.625 ( 0.413 3.706 6.881) 7.826 8.648 ( -5.674 -3.173 -0.703) 6.539 9.008 ( 0.020 -6.936 16.231) 17.651 9.216 ( 0.746 3.866 -3.528) 5.286 9.363 ( -0.793 -2.498 7.202) 7.664 9.523 ( 0.908 0.516 8.068) 8.135 9.640 ( -5.482 0.319 0.593) 5.524 9.727 ( 3.730 2.530 2.113) 4.978 9.943 ( -7.563 -0.162 -5.686) 9.464 10.222 ( 10.915 2.579 -5.413) 12.453 10.376 ( -2.453 -0.200 5.474) 6.002 10.694 ( -2.793 -3.057 2.165) 4.672 10.742 ( -7.254 -3.837 -5.470) 9.862 10.857 ( 1.269 0.953 -4.965) 5.212 10.969 ( 1.024 -3.728 -0.832) 3.955 11.029 ( 10.477 10.236 -4.923) 15.452 11.144 ( 4.626 -0.124 -5.347) 7.072 11.232 ( -4.930 -2.669 3.002) 6.359 11.696 ( -1.150 -0.516 19.511) 19.551 12.516 ( 1.315 2.993 -1.236) 3.495 12.549 ( 1.687 0.172 -0.912) 1.925 12.594 ( -1.335 0.705 -5.450) 5.655 12.691 ( 5.061 -2.966 -6.837) 9.008 12.837 ( 10.925 8.778 -10.894) 17.751 13.312 ( 3.758 3.974 -27.176) 27.721 14.648 ( -10.240 -2.435 4.623) 11.496 14.663 ( -4.161 -6.284 6.772) 10.132 14.724 ( -4.284 -0.676 2.770) 5.146 15.057 ( 1.989 -3.625 3.217) 5.239 15.125 ( 3.222 4.052 1.848) 5.497 15.658 ( 1.534 1.535 1.170) 2.465 18.673 ( -2.621 -2.162 -1.850) 3.869 18.782 ( 2.829 2.553 -5.751) 6.899 19.238 ( 0.900 3.307 -3.374) 4.809 19.277 ( 6.601 0.504 -3.312) 7.403 20.653 ( -2.585 -0.900 5.045) 5.740 21.246 ( -6.591 -3.666 8.738) 11.543 21.427 ( -0.898 0.574 6.927) 7.009 21.666 ( -6.276 -5.156 4.104) 9.101 22.064 ( 10.353 3.402 -4.933) 11.963 22.093 ( 1.042 3.380 -0.306) 3.550 22.554 ( -1.480 -1.376 -4.539) 4.969 22.590 ( -0.690 -0.084 -2.046) 2.161 ======================= Grid point 230 (87/90) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.676 ( -19.030 -12.993 14.007) 26.966 3.804 ( -10.197 -8.793 3.469) 13.904 3.943 ( -21.226 -3.862 -2.988) 21.781 4.479 ( -5.776 15.706 11.335) 20.212 4.518 ( -1.546 -10.149 -17.176) 20.010 4.709 ( 2.942 -5.317 -0.198) 6.080 5.053 ( 7.610 1.671 -3.152) 8.404 5.484 ( 3.450 -0.070 -7.146) 7.936 5.875 ( 8.016 -9.883 0.716) 12.745 6.204 ( 3.810 19.204 -3.703) 19.926 6.368 ( 9.889 2.959 -1.896) 10.495 6.665 ( 5.593 3.327 1.544) 6.688 7.440 ( -5.636 -1.805 5.155) 7.848 7.642 ( -3.991 -6.458 -3.699) 8.445 7.753 ( 3.333 -6.195 14.113) 15.769 7.954 ( -6.872 2.978 -5.964) 9.574 8.409 ( -8.017 -6.094 5.605) 11.525 8.518 ( 0.122 6.680 6.621) 9.407 8.740 ( 5.719 3.115 -5.875) 8.771 8.962 ( -13.352 -6.154 -0.935) 14.732 9.199 ( 6.022 -13.096 9.038) 17.014 9.346 ( -13.641 6.946 -4.395) 15.926 9.537 ( 0.625 3.557 4.342) 5.648 9.662 ( -1.112 1.059 3.711) 4.016 9.820 ( 4.003 -2.242 -0.450) 4.610 9.872 ( -0.951 1.489 -2.831) 3.337 10.331 ( 8.771 2.363 -6.623) 11.242 10.363 ( -3.672 -2.307 5.944) 7.358 10.523 ( -13.191 -2.009 -0.545) 13.354 10.624 ( -2.121 -3.627 -1.063) 4.334 10.866 ( 6.138 -0.157 -2.291) 6.553 10.982 ( 0.867 -2.935 -0.328) 3.078 11.105 ( 1.680 3.071 -4.395) 5.619 11.131 ( -3.037 -3.438 -1.041) 4.704 11.303 ( 14.598 9.495 0.494) 17.421 11.938 ( 0.717 1.689 13.258) 13.385 12.513 ( -2.664 -0.223 -2.935) 3.970 12.535 ( 1.844 0.285 -1.426) 2.349 12.627 ( 4.476 3.379 -1.299) 5.757 12.643 ( 5.073 0.234 -3.358) 6.089 12.969 ( 14.134 5.933 -7.728) 17.167 13.293 ( 13.404 12.600 -9.416) 20.666 14.470 ( -13.964 -3.947 1.797) 14.622 14.558 ( -6.473 -11.337 1.000) 13.093 14.672 ( -8.840 0.355 3.806) 9.631 15.096 ( 3.995 -6.164 2.706) 7.828 15.200 ( 0.262 5.060 -0.745) 5.122 15.713 ( 2.427 1.917 0.462) 3.128 18.632 ( 0.076 -2.032 1.331) 2.430 18.771 ( 1.922 4.550 -6.622) 8.261 19.270 ( 4.232 2.045 -1.120) 4.832 19.404 ( 10.309 4.491 0.151) 11.245 20.619 ( -5.755 -2.060 2.324) 6.539 21.175 ( -9.424 -6.029 4.108) 11.918 21.293 ( -10.257 -3.583 -2.045) 11.056 21.796 ( 4.554 -2.534 11.732) 12.837 22.090 ( -0.681 7.658 -9.210) 11.997 22.186 ( 8.285 0.401 1.435) 8.418 22.454 ( -2.236 -2.210 -2.062) 3.760 22.583 ( 0.481 0.282 -0.508) 0.754 ======================= Grid point 237 (88/90) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( -1.262 -12.914 8.832) 15.696 4.066 ( -9.230 -14.221 11.410) 20.436 4.211 ( 10.577 -7.913 -0.066) 13.209 4.314 ( 6.397 -9.756 4.487) 12.499 4.622 ( 0.893 7.645 -7.769) 10.936 4.761 ( -7.535 17.105 -6.912) 19.928 4.978 ( 1.527 -12.436 -5.923) 13.859 5.517 ( -4.726 -5.730 -7.796) 10.768 5.693 ( 2.532 11.958 -3.688) 12.767 6.123 ( -4.656 2.682 0.444) 5.391 6.200 ( 6.148 6.264 -1.623) 8.926 6.535 ( -0.280 9.330 -2.365) 9.629 7.506 ( 2.304 -9.510 14.359) 17.376 7.713 ( -5.254 1.368 13.996) 15.012 7.828 ( -3.486 -7.406 -9.574) 12.596 8.030 ( 6.476 2.519 -9.388) 11.680 8.369 ( 0.198 4.412 9.553) 10.524 8.559 ( -2.261 6.637 -5.471) 8.893 8.789 ( 6.081 -15.155 5.211) 17.141 8.972 ( -4.026 -8.853 6.036) 11.446 9.352 ( -4.962 10.440 -0.135) 11.560 9.431 ( 0.910 -4.536 7.834) 9.098 9.564 ( 0.855 -6.578 0.126) 6.635 9.716 ( 0.450 1.900 4.275) 4.699 9.721 ( 1.320 -0.672 1.626) 2.199 9.940 ( 10.883 -2.303 -4.307) 11.928 10.072 ( -8.800 6.339 -3.274) 11.329 10.484 ( 0.209 2.508 4.565) 5.213 10.628 ( -0.225 -5.304 -6.607) 8.475 10.735 ( -0.577 -5.282 -0.816) 5.375 10.811 ( 0.410 -0.955 -2.979) 3.155 10.901 ( 0.806 8.192 -1.883) 8.444 10.976 ( -1.664 0.385 2.407) 2.951 11.132 ( 0.845 10.806 -5.349) 12.087 11.282 ( -1.373 -10.795 3.638) 11.474 11.913 ( 0.222 -5.571 19.735) 20.508 12.496 ( 1.206 0.685 1.167) 1.812 12.536 ( 0.776 0.626 -2.795) 2.967 12.559 ( -1.494 1.492 -5.062) 5.484 12.621 ( -0.241 7.205 -4.132) 8.309 12.761 ( -1.970 16.158 -7.323) 17.849 12.998 ( 2.374 9.078 -19.800) 21.911 14.682 ( -3.002 -10.637 2.344) 11.298 14.713 ( 5.458 -8.174 2.214) 10.076 14.774 ( -2.124 -3.160 3.340) 5.065 15.104 ( -3.346 1.787 1.767) 4.185 15.122 ( 2.493 2.666 0.887) 3.756 15.668 ( 0.272 2.048 0.439) 2.112 18.670 ( -0.939 -1.452 0.250) 1.747 18.706 ( 1.065 -0.061 -3.643) 3.796 19.206 ( 0.975 2.859 -1.472) 3.360 19.257 ( -1.208 8.165 -2.414) 8.600 20.705 ( 0.277 -2.877 2.556) 3.858 21.344 ( -0.413 -8.652 6.997) 11.135 21.457 ( 1.429 -8.514 -0.539) 8.650 21.737 ( -1.751 -0.112 9.608) 9.767 21.963 ( 0.678 6.498 -7.089) 9.640 22.122 ( 0.033 6.745 -1.146) 6.842 22.507 ( -0.192 -1.832 -3.246) 3.732 22.577 ( 0.065 0.004 -0.480) 0.484 ======================= Grid point 239 (89/90) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.841 ( -9.102 -16.190 1.671) 18.648 3.926 ( -7.025 -12.885 9.141) 17.290 4.099 ( 0.437 -18.197 -13.042) 22.392 4.237 ( -18.921 -2.730 -6.873) 20.315 4.608 ( 7.148 -5.733 5.534) 10.705 4.763 ( 0.256 5.548 -0.624) 5.589 4.987 ( 3.988 9.792 2.329) 10.826 5.455 ( 2.029 0.462 2.672) 3.386 5.778 ( -1.606 6.892 2.540) 7.518 6.197 ( 11.145 2.133 -2.178) 11.554 6.292 ( 1.123 12.498 -2.032) 12.711 6.638 ( 4.472 7.695 0.063) 8.900 7.525 ( -8.406 -7.695 -7.998) 13.922 7.617 ( 1.115 -9.118 12.310) 15.359 7.822 ( -0.997 -1.819 7.903) 8.170 7.978 ( -0.780 5.214 -10.837) 12.052 8.503 ( -3.489 -5.339 2.571) 6.876 8.561 ( 5.498 2.605 -3.376) 6.958 8.634 ( -5.017 -2.558 -3.393) 6.575 9.000 ( -3.532 -3.703 -1.171) 5.250 9.206 ( -4.190 -16.112 13.145) 21.212 9.452 ( -2.395 -4.315 -5.696) 7.537 9.546 ( 3.608 5.117 -3.372) 7.111 9.687 ( -1.464 -1.692 -2.324) 3.226 9.778 ( 0.254 2.181 1.287) 2.545 9.949 ( -1.325 5.654 -3.678) 6.874 10.147 ( 4.261 2.525 2.887) 5.733 10.462 ( -3.399 -4.932 3.405) 6.889 10.534 ( 1.041 -4.607 -3.513) 5.886 10.701 ( -7.466 -3.209 -2.532) 8.512 10.789 ( 4.675 3.903 4.226) 7.412 10.931 ( -0.144 -0.211 1.442) 1.464 11.111 ( -7.225 -2.349 -2.870) 8.121 11.114 ( 3.396 2.607 -0.130) 4.283 11.260 ( 10.025 10.238 3.244) 14.691 12.016 ( -1.703 -3.170 -0.822) 3.691 12.519 ( 0.519 1.007 -0.774) 1.372 12.536 ( 2.229 0.917 3.640) 4.366 12.548 ( 0.144 1.109 -0.223) 1.140 12.617 ( 3.211 5.702 -2.547) 7.022 12.874 ( 5.652 14.005 2.842) 15.367 13.130 ( 11.763 18.225 -3.740) 22.011 14.522 ( -6.062 -13.937 -0.049) 15.198 14.645 ( -10.313 -5.011 -0.962) 11.506 14.728 ( 2.282 -7.435 0.315) 7.784 15.072 ( -3.915 -2.399 2.438) 5.198 15.212 ( 4.114 4.674 -0.793) 6.277 15.700 ( 1.280 2.313 -0.376) 2.670 18.656 ( -1.769 -0.353 2.872) 3.392 18.697 ( 2.226 0.679 -3.329) 4.061 19.250 ( 2.416 4.839 -0.380) 5.422 19.355 ( 5.577 9.472 1.090) 11.045 20.664 ( -2.579 -4.598 -0.645) 5.311 21.272 ( -7.620 -9.563 2.409) 12.463 21.304 ( -3.678 -10.350 -3.484) 11.524 21.885 ( -1.451 1.382 9.871) 10.072 21.956 ( 5.247 4.807 -9.735) 12.059 22.188 ( 3.568 6.859 0.868) 7.780 22.455 ( -1.488 -2.346 0.414) 2.809 22.579 ( 0.330 0.497 -0.001) 0.597 ======================= Grid point 316 (90/90) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( 0.000 -0.000 -0.000) 0.000 4.317 ( -0.000 0.000 -0.000) 0.000 4.317 ( -0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 -0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 5.112 ( -0.000 0.000 0.000) 0.000 5.510 ( 0.000 -0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 6.133 ( -0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 7.793 ( -0.000 0.000 -0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 -0.000 -0.000) 0.000 7.839 ( -0.000 -0.000 0.000) 0.000 8.411 ( -0.000 0.000 0.000) 0.000 8.416 ( -0.000 0.000 -0.000) 0.000 9.089 ( 0.000 -0.000 0.000) 0.000 9.089 ( 0.000 0.000 0.000) 0.000 9.091 ( -0.000 0.000 0.000) 0.000 9.638 ( -0.000 -0.000 0.000) 0.000 9.638 ( -0.000 0.000 0.000) 0.000 9.714 ( 0.000 -0.000 0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 9.959 ( -0.000 0.000 -0.000) 0.000 9.959 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 10.556 ( -0.000 0.000 0.000) 0.000 10.768 ( -0.000 0.000 -0.000) 0.000 10.807 ( 0.000 0.000 0.000) 0.000 10.807 ( 0.000 0.000 0.000) 0.000 10.994 ( -0.000 0.000 0.000) 0.000 10.994 ( -0.000 0.000 0.000) 0.000 11.447 ( -0.000 0.000 0.000) 0.000 12.128 ( -0.000 0.000 0.000) 0.000 12.499 ( -0.000 0.000 -0.000) 0.000 12.499 ( -0.000 0.000 0.000) 0.000 12.534 ( -0.000 0.000 0.000) 0.000 12.544 ( -0.000 -0.000 0.000) 0.000 12.544 ( 0.000 -0.000 0.000) 0.000 12.736 ( 0.000 0.000 0.000) 0.000 14.792 ( -0.000 0.000 0.000) 0.000 14.792 ( 0.000 0.000 0.000) 0.000 14.841 ( -0.000 0.000 0.000) 0.000 15.093 ( -0.000 0.000 0.000) 0.000 15.093 ( 0.000 0.000 0.000) 0.000 15.652 ( 0.000 0.000 0.000) 0.000 18.685 ( -0.000 0.000 0.000) 0.000 18.685 ( 0.000 0.000 0.000) 0.000 19.172 ( 0.000 0.000 0.000) 0.000 19.172 ( 0.000 0.000 0.000) 0.000 20.750 ( -0.000 0.000 -0.000) 0.000 21.518 ( 0.000 0.000 0.000) 0.000 21.518 ( -0.000 0.000 0.000) 0.000 21.795 ( -0.000 0.000 -0.000) 0.000 21.795 ( -0.000 0.000 0.000) 0.000 22.072 ( 0.000 0.000 0.000) 0.000 22.505 ( 0.000 0.000 0.000) 0.000 22.573 ( 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 1907.912 1907.912 1301.883 0.000 -0.000 0.000 3/30720 20.0 1650.587 1650.587 1573.284 0.000 -0.000 0.000 3/30720 30.0 765.719 765.719 753.153 0.000 -0.000 0.000 3/30720 40.0 378.497 378.497 372.330 0.000 -0.000 0.000 3/30720 50.0 206.711 206.711 203.999 0.000 -0.000 0.000 3/30720 60.0 126.583 126.583 125.272 0.000 -0.000 0.000 3/30720 70.0 85.122 85.122 84.367 0.000 -0.000 0.000 3/30720 80.0 61.470 61.470 60.969 0.000 -0.000 0.000 3/30720 90.0 46.873 46.873 46.510 0.000 -0.000 0.000 3/30720 100.0 37.283 37.283 37.004 0.000 -0.000 0.000 3/30720 110.0 30.654 30.654 30.432 0.000 -0.000 0.000 3/30720 120.0 25.878 25.878 25.695 0.000 -0.000 0.000 3/30720 130.0 22.315 22.315 22.161 0.000 -0.000 0.000 3/30720 140.0 19.577 19.577 19.444 0.000 -0.000 0.000 3/30720 150.0 17.421 17.421 17.304 0.000 -0.000 0.000 3/30720 160.0 15.685 15.685 15.580 0.000 -0.000 0.000 3/30720 170.0 14.263 14.263 14.167 0.000 -0.000 0.000 3/30720 180.0 13.079 13.079 12.990 0.000 -0.000 0.000 3/30720 190.0 12.079 12.079 11.995 0.000 -0.000 0.000 3/30720 200.0 11.224 11.224 11.145 0.000 -0.000 0.000 3/30720 210.0 10.485 10.485 10.410 0.000 -0.000 0.000 3/30720 220.0 9.840 9.840 9.768 0.000 -0.000 0.000 3/30720 230.0 9.273 9.273 9.204 0.000 -0.000 0.000 3/30720 240.0 8.770 8.770 8.703 0.000 -0.000 0.000 3/30720 250.0 8.321 8.321 8.256 0.000 -0.000 0.000 3/30720 260.0 7.918 7.918 7.855 0.000 -0.000 0.000 3/30720 270.0 7.554 7.554 7.492 0.000 -0.000 0.000 3/30720 280.0 7.224 7.224 7.163 0.000 -0.000 0.000 3/30720 290.0 6.922 6.922 6.863 0.000 -0.000 0.000 3/30720 300.0 6.646 6.646 6.588 0.000 -0.000 0.000 3/30720 310.0 6.392 6.392 6.335 0.000 -0.000 0.000 3/30720 320.0 6.157 6.157 6.102 0.000 -0.000 0.000 3/30720 330.0 5.940 5.940 5.886 0.000 -0.000 0.000 3/30720 340.0 5.739 5.739 5.686 0.000 -0.000 0.000 3/30720 350.0 5.551 5.551 5.499 0.000 -0.000 0.000 3/30720 360.0 5.376 5.376 5.325 0.000 -0.000 0.000 3/30720 370.0 5.212 5.212 5.162 0.000 -0.000 0.000 3/30720 380.0 5.058 5.058 5.009 0.000 -0.000 0.000 3/30720 390.0 4.913 4.913 4.865 0.000 -0.000 0.000 3/30720 400.0 4.777 4.777 4.730 0.000 -0.000 0.000 3/30720 410.0 4.648 4.648 4.602 0.000 -0.000 0.000 3/30720 420.0 4.527 4.527 4.481 0.000 -0.000 0.000 3/30720 430.0 4.412 4.412 4.366 0.000 -0.000 0.000 3/30720 440.0 4.302 4.302 4.258 0.000 -0.000 0.000 3/30720 450.0 4.198 4.198 4.155 0.000 -0.000 0.000 3/30720 460.0 4.100 4.100 4.057 0.000 -0.000 0.000 3/30720 470.0 4.006 4.006 3.964 0.000 -0.000 0.000 3/30720 480.0 3.916 3.916 3.875 0.000 -0.000 0.000 3/30720 490.0 3.830 3.830 3.790 0.000 -0.000 0.000 3/30720 500.0 3.749 3.749 3.708 0.000 -0.000 0.000 3/30720 510.0 3.670 3.670 3.631 0.000 -0.000 0.000 3/30720 520.0 3.595 3.595 3.556 0.000 -0.000 0.000 3/30720 530.0 3.523 3.523 3.485 0.000 -0.000 0.000 3/30720 540.0 3.454 3.454 3.416 0.000 -0.000 0.000 3/30720 550.0 3.388 3.388 3.351 0.000 -0.000 0.000 3/30720 560.0 3.324 3.324 3.288 0.000 -0.000 0.000 3/30720 570.0 3.263 3.263 3.227 0.000 -0.000 0.000 3/30720 580.0 3.204 3.204 3.168 0.000 -0.000 0.000 3/30720 590.0 3.147 3.147 3.112 0.000 -0.000 0.000 3/30720 600.0 3.092 3.092 3.057 0.000 -0.000 0.000 3/30720 610.0 3.039 3.039 3.005 0.000 -0.000 0.000 3/30720 620.0 2.988 2.988 2.954 0.000 -0.000 0.000 3/30720 630.0 2.939 2.939 2.905 0.000 -0.000 0.000 3/30720 640.0 2.891 2.891 2.858 0.000 -0.000 0.000 3/30720 650.0 2.845 2.845 2.812 0.000 -0.000 0.000 3/30720 660.0 2.800 2.800 2.768 0.000 -0.000 0.000 3/30720 670.0 2.757 2.757 2.725 0.000 -0.000 0.000 3/30720 680.0 2.715 2.715 2.684 0.000 -0.000 0.000 3/30720 690.0 2.674 2.674 2.643 0.000 -0.000 0.000 3/30720 700.0 2.635 2.635 2.604 0.000 -0.000 0.000 3/30720 710.0 2.596 2.596 2.566 0.000 -0.000 0.000 3/30720 720.0 2.559 2.559 2.530 0.000 -0.000 0.000 3/30720 730.0 2.523 2.523 2.494 0.000 -0.000 0.000 3/30720 740.0 2.488 2.488 2.459 0.000 -0.000 0.000 3/30720 750.0 2.454 2.454 2.425 0.000 -0.000 0.000 3/30720 760.0 2.421 2.421 2.392 0.000 -0.000 0.000 3/30720 770.0 2.388 2.388 2.361 0.000 -0.000 0.000 3/30720 780.0 2.357 2.357 2.329 0.000 -0.000 0.000 3/30720 790.0 2.326 2.326 2.299 0.000 -0.000 0.000 3/30720 800.0 2.297 2.297 2.270 0.000 -0.000 0.000 3/30720 810.0 2.268 2.268 2.241 0.000 -0.000 0.000 3/30720 820.0 2.239 2.239 2.213 0.000 -0.000 0.000 3/30720 830.0 2.212 2.212 2.186 0.000 -0.000 0.000 3/30720 840.0 2.185 2.185 2.159 0.000 -0.000 0.000 3/30720 850.0 2.159 2.159 2.133 0.000 -0.000 0.000 3/30720 860.0 2.133 2.133 2.108 0.000 -0.000 0.000 3/30720 870.0 2.108 2.108 2.083 0.000 -0.000 0.000 3/30720 880.0 2.083 2.083 2.059 0.000 -0.000 0.000 3/30720 890.0 2.060 2.060 2.035 0.000 -0.000 0.000 3/30720 900.0 2.036 2.036 2.012 0.000 -0.000 0.000 3/30720 910.0 2.014 2.014 1.990 0.000 -0.000 0.000 3/30720 920.0 1.991 1.991 1.968 0.000 -0.000 0.000 3/30720 930.0 1.969 1.969 1.946 0.000 -0.000 0.000 3/30720 940.0 1.948 1.948 1.925 0.000 -0.000 0.000 3/30720 950.0 1.927 1.927 1.904 0.000 -0.000 0.000 3/30720 960.0 1.907 1.907 1.884 0.000 -0.000 0.000 3/30720 970.0 1.887 1.887 1.864 0.000 -0.000 0.000 3/30720 980.0 1.867 1.867 1.845 0.000 -0.000 0.000 3/30720 990.0 1.848 1.848 1.826 0.000 -0.000 0.000 3/30720 1000.0 1.829 1.829 1.808 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 2026-01-07 19:25:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|