----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:43:49]------------------------- 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 4.966043526080005 2.867146566589684 3.781956989999995 b -4.966043526079996 2.867146566589684 3.781956989999995 c -0.000000000000005 -5.734293133179376 3.781956989999995 Atomic positions (fractional): *1 La 0.74508154448808 0.43756103916648 0.93061666109545 138.905 2 La 0.06938333890455 0.25491845551193 0.56243896083352 138.905 3 La 0.56243896083352 0.06938333890455 0.25491845551192 138.905 4 La 0.43756103916648 0.93061666109545 0.74508154448808 138.905 5 La 0.93061666109545 0.74508154448808 0.43756103916648 138.905 6 La 0.25491845551192 0.56243896083352 0.06938333890455 138.905 *7 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 *8 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 *9 O 0.70209587314328 0.07854813041986 0.93704037624832 15.999 10 O 0.06295962375168 0.29790412685673 0.92145186958014 15.999 *11 O 0.41300714396657 0.20384615861699 0.54050486944085 15.999 12 O 0.92145186958014 0.06295962375168 0.29790412685672 15.999 13 O 0.45949513055915 0.58699285603343 0.79615384138301 15.999 14 O 0.79615384138301 0.45949513055915 0.58699285603342 15.999 15 O 0.20384615861699 0.54050486944085 0.41300714396657 15.999 16 O 0.54050486944085 0.41300714396657 0.20384615861699 15.999 17 O 0.07854813041986 0.93704037624833 0.70209587314328 15.999 18 O 0.58699285603343 0.79615384138301 0.45949513055915 15.999 19 O 0.93704037624832 0.70209587314328 0.07854813041986 15.999 20 O 0.29790412685672 0.92145186958014 0.06295962375168 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.932087052160002 0.000000000000000 0.000000000000000 b -4.966043526080001 8.601439699769060 0.000000000000000 c 0.000000000000000 0.000000000000000 11.345870969999998 Atomic positions (fractional): *1 La 0.04066179623807 0.77380308715455 0.70441974825000 138.905 > 1 2 La 0.77380308715455 0.73314129091648 0.29558025175000 138.905 > 2 3 La 0.26685870908352 0.04066179623807 0.29558025175000 138.905 > 3 4 La 0.73314129091648 0.95933820376193 0.70441974825000 138.905 > 4 5 La 0.22619691284545 0.26685870908352 0.70441974825000 138.905 > 5 6 La 0.95933820376193 0.22619691284545 0.29558025175000 138.905 > 6 7 La 0.70732846290474 0.10713642048788 0.03775308158333 138.905 > 1 8 La 0.44046975382122 0.06647462424981 0.62891358508333 138.905 > 2 9 La 0.93352537575019 0.37399512957141 0.62891358508333 138.905 > 3 10 La 0.39980795758314 0.29267153709526 0.03775308158333 138.905 > 4 11 La 0.89286357951212 0.60019204241686 0.03775308158333 138.905 > 5 12 La 0.62600487042859 0.55953024617878 0.62891358508333 138.905 > 6 13 La 0.37399512957141 0.44046975382122 0.37108641491667 138.905 > 1 14 La 0.10713642048788 0.39980795758314 0.96224691841667 138.905 > 2 15 La 0.60019204241686 0.70732846290474 0.96224691841667 138.905 > 3 16 La 0.06647462424981 0.62600487042859 0.37108641491667 138.905 > 4 17 La 0.55953024617878 0.93352537575019 0.37108641491667 138.905 > 5 18 La 0.29267153709526 0.89286357951212 0.96224691841667 138.905 > 6 *19 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 7 *20 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 8 21 Sc 0.66666666666667 0.33333333333333 0.33333333333333 44.956 > 7 22 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 8 23 Sc 0.33333333333333 0.66666666666667 0.66666666666667 44.956 > 7 24 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 8 *25 O 0.12953441320612 0.63552108368883 0.57256145993715 15.999 > 9 26 O 0.63552108368883 0.50598667048271 0.42743854006285 15.999 > 10 *27 O 0.02722108662510 0.84528118790062 0.38578605734147 15.999 > 11 28 O 0.49401332951729 0.12953441320612 0.42743854006285 15.999 > 12 29 O 0.84528118790062 0.81806010127552 0.61421394265853 15.999 > 13 30 O 0.18193989872448 0.02722108662510 0.61421394265853 15.999 > 14 31 O 0.81806010127552 0.97277891337490 0.38578605734147 15.999 > 15 32 O 0.15471881209938 0.18193989872448 0.38578605734147 15.999 > 16 33 O 0.50598667048271 0.87046558679388 0.57256145993715 15.999 > 17 34 O 0.97277891337490 0.15471881209938 0.61421394265853 15.999 > 18 35 O 0.36447891631117 0.49401332951729 0.57256145993715 15.999 > 19 36 O 0.87046558679388 0.36447891631117 0.42743854006285 15.999 > 20 37 O 0.79620107987279 0.96885441702216 0.90589479327049 15.999 > 9 38 O 0.30218775035550 0.83932000381604 0.76077187339618 15.999 > 10 39 O 0.69388775329177 0.17861452123395 0.71911939067480 15.999 > 11 40 O 0.16067999618396 0.46286774653946 0.76077187339618 15.999 > 12 41 O 0.51194785456729 0.15139343460885 0.94754727599186 15.999 > 13 42 O 0.84860656539115 0.36055441995844 0.94754727599186 15.999 > 14 43 O 0.48472676794218 0.30611224670823 0.71911939067480 15.999 > 15 44 O 0.82138547876605 0.51527323205782 0.71911939067480 15.999 > 16 45 O 0.17265333714937 0.20379892012721 0.90589479327049 15.999 > 17 46 O 0.63944558004156 0.48805214543271 0.94754727599186 15.999 > 18 47 O 0.03114558297784 0.82734666285063 0.90589479327049 15.999 > 19 48 O 0.53713225346054 0.69781224964450 0.76077187339618 15.999 > 20 49 O 0.46286774653946 0.30218775035550 0.23922812660382 15.999 > 9 50 O 0.96885441702216 0.17265333714937 0.09410520672951 15.999 > 10 51 O 0.36055441995844 0.51194785456729 0.05245272400814 15.999 > 11 52 O 0.82734666285063 0.79620107987279 0.09410520672951 15.999 > 12 53 O 0.17861452123395 0.48472676794218 0.28088060932520 15.999 > 13 54 O 0.51527323205782 0.69388775329177 0.28088060932520 15.999 > 14 55 O 0.15139343460885 0.63944558004156 0.05245272400814 15.999 > 15 56 O 0.48805214543271 0.84860656539115 0.05245272400814 15.999 > 16 57 O 0.83932000381604 0.53713225346054 0.23922812660382 15.999 > 17 58 O 0.30611224670823 0.82138547876605 0.28088060932520 15.999 > 18 59 O 0.69781224964450 0.16067999618396 0.23922812660382 15.999 > 19 60 O 0.20379892012721 0.03114558297784 0.09410520672951 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.932087052160002 0.000000000000000 0.000000000000000 b -4.966043526080001 8.601439699769060 0.000000000000000 c 0.000000000000000 0.000000000000000 11.345870969999998 Atomic positions (fractional): *1 La 0.04066179623807 0.77380308715455 0.70441974825000 138.905 > 1 2 La 0.77380308715455 0.73314129091648 0.29558025175000 138.905 > 2 3 La 0.26685870908352 0.04066179623807 0.29558025175000 138.905 > 3 4 La 0.73314129091648 0.95933820376193 0.70441974825000 138.905 > 4 5 La 0.22619691284545 0.26685870908352 0.70441974825000 138.905 > 5 6 La 0.95933820376193 0.22619691284545 0.29558025175000 138.905 > 6 7 La 0.70732846290474 0.10713642048788 0.03775308158333 138.905 > 1 8 La 0.44046975382122 0.06647462424981 0.62891358508333 138.905 > 2 9 La 0.93352537575019 0.37399512957141 0.62891358508333 138.905 > 3 10 La 0.39980795758314 0.29267153709526 0.03775308158333 138.905 > 4 11 La 0.89286357951212 0.60019204241686 0.03775308158333 138.905 > 5 12 La 0.62600487042859 0.55953024617878 0.62891358508333 138.905 > 6 13 La 0.37399512957141 0.44046975382122 0.37108641491667 138.905 > 1 14 La 0.10713642048788 0.39980795758314 0.96224691841667 138.905 > 2 15 La 0.60019204241686 0.70732846290474 0.96224691841667 138.905 > 3 16 La 0.06647462424981 0.62600487042859 0.37108641491667 138.905 > 4 17 La 0.55953024617878 0.93352537575019 0.37108641491667 138.905 > 5 18 La 0.29267153709526 0.89286357951212 0.96224691841667 138.905 > 6 *19 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 7 *20 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 8 21 Sc 0.66666666666667 0.33333333333333 0.33333333333333 44.956 > 7 22 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 8 23 Sc 0.33333333333333 0.66666666666667 0.66666666666667 44.956 > 7 24 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 8 *25 O 0.12953441320612 0.63552108368883 0.57256145993715 15.999 > 9 26 O 0.63552108368883 0.50598667048271 0.42743854006285 15.999 > 10 *27 O 0.02722108662510 0.84528118790062 0.38578605734147 15.999 > 11 28 O 0.49401332951729 0.12953441320612 0.42743854006285 15.999 > 12 29 O 0.84528118790062 0.81806010127552 0.61421394265853 15.999 > 13 30 O 0.18193989872448 0.02722108662510 0.61421394265853 15.999 > 14 31 O 0.81806010127552 0.97277891337490 0.38578605734147 15.999 > 15 32 O 0.15471881209938 0.18193989872448 0.38578605734147 15.999 > 16 33 O 0.50598667048271 0.87046558679388 0.57256145993715 15.999 > 17 34 O 0.97277891337490 0.15471881209938 0.61421394265853 15.999 > 18 35 O 0.36447891631117 0.49401332951729 0.57256145993715 15.999 > 19 36 O 0.87046558679388 0.36447891631117 0.42743854006285 15.999 > 20 37 O 0.79620107987279 0.96885441702216 0.90589479327049 15.999 > 9 38 O 0.30218775035550 0.83932000381604 0.76077187339618 15.999 > 10 39 O 0.69388775329177 0.17861452123395 0.71911939067480 15.999 > 11 40 O 0.16067999618396 0.46286774653946 0.76077187339618 15.999 > 12 41 O 0.51194785456729 0.15139343460885 0.94754727599186 15.999 > 13 42 O 0.84860656539115 0.36055441995844 0.94754727599186 15.999 > 14 43 O 0.48472676794218 0.30611224670823 0.71911939067480 15.999 > 15 44 O 0.82138547876605 0.51527323205782 0.71911939067480 15.999 > 16 45 O 0.17265333714937 0.20379892012721 0.90589479327049 15.999 > 17 46 O 0.63944558004156 0.48805214543271 0.94754727599186 15.999 > 18 47 O 0.03114558297784 0.82734666285063 0.90589479327049 15.999 > 19 48 O 0.53713225346054 0.69781224964450 0.76077187339618 15.999 > 20 49 O 0.46286774653946 0.30218775035550 0.23922812660382 15.999 > 9 50 O 0.96885441702216 0.17265333714937 0.09410520672951 15.999 > 10 51 O 0.36055441995844 0.51194785456729 0.05245272400814 15.999 > 11 52 O 0.82734666285063 0.79620107987279 0.09410520672951 15.999 > 12 53 O 0.17861452123395 0.48472676794218 0.28088060932520 15.999 > 13 54 O 0.51527323205782 0.69388775329177 0.28088060932520 15.999 > 14 55 O 0.15139343460885 0.63944558004156 0.05245272400814 15.999 > 15 56 O 0.48805214543271 0.84860656539115 0.05245272400814 15.999 > 16 57 O 0.83932000381604 0.53713225346054 0.23922812660382 15.999 > 17 58 O 0.30611224670823 0.82138547876605 0.28088060932520 15.999 > 18 59 O 0.69781224964450 0.16067999618396 0.23922812660382 15.999 > 19 60 O 0.20379892012721 0.03114558297784 0.09410520672951 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5140961 -0.0000125 0.0000000 0.0000125 4.5140961 0.0000000 0.0000000 0.0000000 4.3413473 -------------------------- Born effective charges -------------------------- 1 La 4.1353337 0.1608855 0.1546007 0.1516063 4.0886672 -0.0014667 0.0148605 0.0615547 3.8446234 2 La 4.2356467 -0.0936905 -0.0760302 -0.1029698 3.9883541 0.1346215 -0.0607382 -0.0179078 3.8446234 3 La 3.9650209 -0.0532762 -0.0785705 -0.0625554 4.2589800 -0.1331548 0.0458777 -0.0436469 3.8446234 4 La 3.9650209 -0.0532762 -0.0785705 -0.0625554 4.2589800 -0.1331548 0.0458777 -0.0436469 3.8446234 5 La 4.2356467 -0.0936905 -0.0760302 -0.1029698 3.9883541 0.1346215 -0.0607382 -0.0179078 3.8446234 6 La 4.1353337 0.1608855 0.1546007 0.1516063 4.0886672 -0.0014667 0.0148605 0.0615547 3.8446234 7 Sc 4.4186289 -0.1643921 -0.0000000 0.1643921 4.4186289 -0.0000000 -0.0000000 0.0000000 2.9002715 8 Sc 3.6035975 0.0245700 -0.0000000 -0.0245700 3.6035975 -0.0000000 -0.0000000 0.0000000 4.5237417 9 O -2.5051869 -0.0785818 -0.3322104 -0.1161674 -2.3949668 -0.1286993 -0.3196130 -0.1921381 -3.0084139 10 O -2.5068507 0.1152068 0.2775621 0.0776212 -2.3933030 -0.2233530 0.3262030 -0.1807239 -3.0084139 11 O -2.9535911 0.1047855 0.2668638 0.1050430 -3.0443315 -0.3746896 0.2531314 -0.3753044 -2.0735451 12 O -2.3381929 0.0197534 0.0546483 -0.0178322 -2.5619608 0.3520523 -0.0065900 0.3728620 -3.0084139 13 O -2.9307880 -0.0918776 0.1910588 -0.0916202 -3.0671346 0.4184556 0.1984575 0.4068705 -2.0735451 14 O -3.1125048 -0.0132941 -0.4579226 -0.0130366 -2.8854178 -0.0437661 -0.4515889 -0.0315660 -2.0735451 15 O -3.1125048 -0.0132941 -0.4579226 -0.0130366 -2.8854178 -0.0437661 -0.4515889 -0.0315660 -2.0735451 16 O -2.9307880 -0.0918776 0.1910588 -0.0916202 -3.0671346 0.4184556 0.1984575 0.4068705 -2.0735451 17 O -2.3381929 0.0197534 0.0546483 -0.0178322 -2.5619608 0.3520523 -0.0065900 0.3728620 -3.0084139 18 O -2.9535911 0.1047855 0.2668638 0.1050430 -3.0443315 -0.3746896 0.2531314 -0.3753044 -2.0735451 19 O -2.5068507 0.1152068 0.2775621 0.0776212 -2.3933030 -0.2233530 0.3262030 -0.1807239 -3.0084139 20 O -2.5051869 -0.0785818 -0.3322104 -0.1161674 -2.3949668 -0.1286993 -0.3196130 -0.1921381 -3.0084139 ---------------------------------------------------------------------------- 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): 0.002 Solver_block: 100 / 400 - Time: 0.526 Solver_block: 200 / 400 - Time: 0.529 Solver_block: 300 / 400 - Time: 0.530 Solver_block: 400 / 400 - Time: 0.530 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.132 --------------------------------- 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 2026-01-08 22:44:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:44:01]------------------------- 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 4.966043526080005 2.867146566589684 3.781956989999995 b -4.966043526079996 2.867146566589684 3.781956989999995 c -0.000000000000005 -5.734293133179376 3.781956989999995 Atomic positions (fractional): 1 La 0.74508154448808 0.43756103916648 0.93061666109545 138.905 2 La 0.06938333890455 0.25491845551193 0.56243896083352 138.905 3 La 0.56243896083352 0.06938333890455 0.25491845551192 138.905 4 La 0.43756103916648 0.93061666109545 0.74508154448808 138.905 5 La 0.93061666109545 0.74508154448808 0.43756103916648 138.905 6 La 0.25491845551192 0.56243896083352 0.06938333890455 138.905 7 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 8 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 9 O 0.70209587314328 0.07854813041986 0.93704037624832 15.999 10 O 0.06295962375168 0.29790412685673 0.92145186958014 15.999 11 O 0.41300714396657 0.20384615861699 0.54050486944085 15.999 12 O 0.92145186958014 0.06295962375168 0.29790412685672 15.999 13 O 0.45949513055915 0.58699285603343 0.79615384138301 15.999 14 O 0.79615384138301 0.45949513055915 0.58699285603342 15.999 15 O 0.20384615861699 0.54050486944085 0.41300714396657 15.999 16 O 0.54050486944085 0.41300714396657 0.20384615861699 15.999 17 O 0.07854813041986 0.93704037624833 0.70209587314328 15.999 18 O 0.58699285603343 0.79615384138301 0.45949513055915 15.999 19 O 0.93704037624832 0.70209587314328 0.07854813041986 15.999 20 O 0.29790412685672 0.92145186958014 0.06295962375168 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.932087052160002 0.000000000000000 0.000000000000000 b -4.966043526080001 8.601439699769060 0.000000000000000 c 0.000000000000000 0.000000000000000 11.345870969999998 Atomic positions (fractional): 1 La 0.04066179623807 0.77380308715455 0.70441974825000 138.905 > 1 2 La 0.77380308715455 0.73314129091648 0.29558025175000 138.905 > 2 3 La 0.26685870908352 0.04066179623807 0.29558025175000 138.905 > 3 4 La 0.73314129091648 0.95933820376193 0.70441974825000 138.905 > 4 5 La 0.22619691284545 0.26685870908352 0.70441974825000 138.905 > 5 6 La 0.95933820376193 0.22619691284545 0.29558025175000 138.905 > 6 7 La 0.70732846290474 0.10713642048788 0.03775308158333 138.905 > 1 8 La 0.44046975382122 0.06647462424981 0.62891358508333 138.905 > 2 9 La 0.93352537575019 0.37399512957141 0.62891358508333 138.905 > 3 10 La 0.39980795758314 0.29267153709526 0.03775308158333 138.905 > 4 11 La 0.89286357951212 0.60019204241686 0.03775308158333 138.905 > 5 12 La 0.62600487042859 0.55953024617878 0.62891358508333 138.905 > 6 13 La 0.37399512957141 0.44046975382122 0.37108641491667 138.905 > 1 14 La 0.10713642048788 0.39980795758314 0.96224691841667 138.905 > 2 15 La 0.60019204241686 0.70732846290474 0.96224691841667 138.905 > 3 16 La 0.06647462424981 0.62600487042859 0.37108641491667 138.905 > 4 17 La 0.55953024617878 0.93352537575019 0.37108641491667 138.905 > 5 18 La 0.29267153709526 0.89286357951212 0.96224691841667 138.905 > 6 19 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 19 20 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 20 21 Sc 0.66666666666667 0.33333333333333 0.33333333333333 44.956 > 19 22 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 20 23 Sc 0.33333333333333 0.66666666666667 0.66666666666667 44.956 > 19 24 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 20 25 O 0.12953441320612 0.63552108368883 0.57256145993715 15.999 > 25 26 O 0.63552108368883 0.50598667048271 0.42743854006285 15.999 > 26 27 O 0.02722108662510 0.84528118790062 0.38578605734147 15.999 > 27 28 O 0.49401332951729 0.12953441320612 0.42743854006285 15.999 > 28 29 O 0.84528118790062 0.81806010127552 0.61421394265853 15.999 > 29 30 O 0.18193989872448 0.02722108662510 0.61421394265853 15.999 > 30 31 O 0.81806010127552 0.97277891337490 0.38578605734147 15.999 > 31 32 O 0.15471881209938 0.18193989872448 0.38578605734147 15.999 > 32 33 O 0.50598667048271 0.87046558679388 0.57256145993715 15.999 > 33 34 O 0.97277891337490 0.15471881209938 0.61421394265853 15.999 > 34 35 O 0.36447891631117 0.49401332951729 0.57256145993715 15.999 > 35 36 O 0.87046558679388 0.36447891631117 0.42743854006285 15.999 > 36 37 O 0.79620107987279 0.96885441702216 0.90589479327049 15.999 > 25 38 O 0.30218775035550 0.83932000381604 0.76077187339618 15.999 > 26 39 O 0.69388775329177 0.17861452123395 0.71911939067480 15.999 > 27 40 O 0.16067999618396 0.46286774653946 0.76077187339618 15.999 > 28 41 O 0.51194785456729 0.15139343460885 0.94754727599186 15.999 > 29 42 O 0.84860656539115 0.36055441995844 0.94754727599186 15.999 > 30 43 O 0.48472676794218 0.30611224670823 0.71911939067480 15.999 > 31 44 O 0.82138547876605 0.51527323205782 0.71911939067480 15.999 > 32 45 O 0.17265333714937 0.20379892012721 0.90589479327049 15.999 > 33 46 O 0.63944558004156 0.48805214543271 0.94754727599186 15.999 > 34 47 O 0.03114558297784 0.82734666285063 0.90589479327049 15.999 > 35 48 O 0.53713225346054 0.69781224964450 0.76077187339618 15.999 > 36 49 O 0.46286774653946 0.30218775035550 0.23922812660382 15.999 > 25 50 O 0.96885441702216 0.17265333714937 0.09410520672951 15.999 > 26 51 O 0.36055441995844 0.51194785456729 0.05245272400814 15.999 > 27 52 O 0.82734666285063 0.79620107987279 0.09410520672951 15.999 > 28 53 O 0.17861452123395 0.48472676794218 0.28088060932520 15.999 > 29 54 O 0.51527323205782 0.69388775329177 0.28088060932520 15.999 > 30 55 O 0.15139343460885 0.63944558004156 0.05245272400814 15.999 > 31 56 O 0.48805214543271 0.84860656539115 0.05245272400814 15.999 > 32 57 O 0.83932000381604 0.53713225346054 0.23922812660382 15.999 > 33 58 O 0.30611224670823 0.82138547876605 0.28088060932520 15.999 > 34 59 O 0.69781224964450 0.16067999618396 0.23922812660382 15.999 > 35 60 O 0.20379892012721 0.03114558297784 0.09410520672951 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5140961 -0.0000125 0.0000000 0.0000125 4.5140961 0.0000000 0.0000000 0.0000000 4.3413473 -------------------------- Born effective charges -------------------------- 1 La 4.1353337 0.1608855 0.1546007 0.1516063 4.0886672 -0.0014667 0.0148605 0.0615547 3.8446234 2 La 4.2356467 -0.0936905 -0.0760302 -0.1029698 3.9883541 0.1346215 -0.0607382 -0.0179078 3.8446234 3 La 3.9650209 -0.0532762 -0.0785705 -0.0625554 4.2589800 -0.1331548 0.0458777 -0.0436469 3.8446234 4 La 3.9650209 -0.0532762 -0.0785705 -0.0625554 4.2589800 -0.1331548 0.0458777 -0.0436469 3.8446234 5 La 4.2356467 -0.0936905 -0.0760302 -0.1029698 3.9883541 0.1346215 -0.0607382 -0.0179078 3.8446234 6 La 4.1353337 0.1608855 0.1546007 0.1516063 4.0886672 -0.0014667 0.0148605 0.0615547 3.8446234 7 Sc 4.4186289 -0.1643921 -0.0000000 0.1643921 4.4186289 -0.0000000 -0.0000000 0.0000000 2.9002715 8 Sc 3.6035975 0.0245700 -0.0000000 -0.0245700 3.6035975 -0.0000000 -0.0000000 0.0000000 4.5237417 9 O -2.5051869 -0.0785818 -0.3322104 -0.1161674 -2.3949668 -0.1286993 -0.3196130 -0.1921381 -3.0084139 10 O -2.5068507 0.1152068 0.2775621 0.0776212 -2.3933030 -0.2233530 0.3262030 -0.1807239 -3.0084139 11 O -2.9535911 0.1047855 0.2668638 0.1050430 -3.0443315 -0.3746896 0.2531314 -0.3753044 -2.0735451 12 O -2.3381929 0.0197534 0.0546483 -0.0178322 -2.5619608 0.3520523 -0.0065900 0.3728620 -3.0084139 13 O -2.9307880 -0.0918776 0.1910588 -0.0916202 -3.0671346 0.4184556 0.1984575 0.4068705 -2.0735451 14 O -3.1125048 -0.0132941 -0.4579226 -0.0130366 -2.8854178 -0.0437661 -0.4515889 -0.0315660 -2.0735451 15 O -3.1125048 -0.0132941 -0.4579226 -0.0130366 -2.8854178 -0.0437661 -0.4515889 -0.0315660 -2.0735451 16 O -2.9307880 -0.0918776 0.1910588 -0.0916202 -3.0671346 0.4184556 0.1984575 0.4068705 -2.0735451 17 O -2.3381929 0.0197534 0.0546483 -0.0178322 -2.5619608 0.3520523 -0.0065900 0.3728620 -3.0084139 18 O -2.9535911 0.1047855 0.2668638 0.1050430 -3.0443315 -0.3746896 0.2531314 -0.3753044 -2.0735451 19 O -2.5068507 0.1152068 0.2775621 0.0776212 -2.3933030 -0.2233530 0.3262030 -0.1807239 -3.0084139 20 O -2.5051869 -0.0785818 -0.3322104 -0.1161674 -2.3949668 -0.1286993 -0.3196130 -0.1921381 -3.0084139 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 20, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yzz) 0.00000000 (yzz) 0.00000000 (yzz) 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 2026-01-08 22:44:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:44:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.966043526080005 2.867146566589684 3.781956989999995 b -4.966043526079996 2.867146566589684 3.781956989999995 c -0.000000000000005 -5.734293133179376 3.781956989999995 Atomic positions (fractional): 1 La 0.74508154448808 0.43756103916648 0.93061666109545 138.905 2 La 0.06938333890455 0.25491845551193 0.56243896083352 138.905 3 La 0.56243896083352 0.06938333890455 0.25491845551192 138.905 4 La 0.43756103916648 0.93061666109545 0.74508154448808 138.905 5 La 0.93061666109545 0.74508154448808 0.43756103916648 138.905 6 La 0.25491845551192 0.56243896083352 0.06938333890455 138.905 7 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 8 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 9 O 0.70209587314328 0.07854813041986 0.93704037624832 15.999 10 O 0.06295962375168 0.29790412685673 0.92145186958014 15.999 11 O 0.41300714396657 0.20384615861699 0.54050486944085 15.999 12 O 0.92145186958014 0.06295962375168 0.29790412685672 15.999 13 O 0.45949513055915 0.58699285603343 0.79615384138301 15.999 14 O 0.79615384138301 0.45949513055915 0.58699285603342 15.999 15 O 0.20384615861699 0.54050486944085 0.41300714396657 15.999 16 O 0.54050486944085 0.41300714396657 0.20384615861699 15.999 17 O 0.07854813041986 0.93704037624833 0.70209587314328 15.999 18 O 0.58699285603343 0.79615384138301 0.45949513055915 15.999 19 O 0.93704037624832 0.70209587314328 0.07854813041986 15.999 20 O 0.29790412685672 0.92145186958014 0.06295962375168 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.932087052160002 0.000000000000000 0.000000000000000 b -4.966043526080001 8.601439699769060 0.000000000000000 c 0.000000000000000 0.000000000000000 11.345870969999998 Atomic positions (fractional): 1 La 0.04066179623807 0.77380308715455 0.70441974825000 138.905 > 1 2 La 0.77380308715455 0.73314129091648 0.29558025175000 138.905 > 2 3 La 0.26685870908352 0.04066179623807 0.29558025175000 138.905 > 3 4 La 0.73314129091648 0.95933820376193 0.70441974825000 138.905 > 4 5 La 0.22619691284545 0.26685870908352 0.70441974825000 138.905 > 5 6 La 0.95933820376193 0.22619691284545 0.29558025175000 138.905 > 6 7 La 0.70732846290474 0.10713642048788 0.03775308158333 138.905 > 1 8 La 0.44046975382122 0.06647462424981 0.62891358508333 138.905 > 2 9 La 0.93352537575019 0.37399512957141 0.62891358508333 138.905 > 3 10 La 0.39980795758314 0.29267153709526 0.03775308158333 138.905 > 4 11 La 0.89286357951212 0.60019204241686 0.03775308158333 138.905 > 5 12 La 0.62600487042859 0.55953024617878 0.62891358508333 138.905 > 6 13 La 0.37399512957141 0.44046975382122 0.37108641491667 138.905 > 1 14 La 0.10713642048788 0.39980795758314 0.96224691841667 138.905 > 2 15 La 0.60019204241686 0.70732846290474 0.96224691841667 138.905 > 3 16 La 0.06647462424981 0.62600487042859 0.37108641491667 138.905 > 4 17 La 0.55953024617878 0.93352537575019 0.37108641491667 138.905 > 5 18 La 0.29267153709526 0.89286357951212 0.96224691841667 138.905 > 6 19 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 19 20 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 20 21 Sc 0.66666666666667 0.33333333333333 0.33333333333333 44.956 > 19 22 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 20 23 Sc 0.33333333333333 0.66666666666667 0.66666666666667 44.956 > 19 24 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 20 25 O 0.12953441320612 0.63552108368883 0.57256145993715 15.999 > 25 26 O 0.63552108368883 0.50598667048271 0.42743854006285 15.999 > 26 27 O 0.02722108662510 0.84528118790062 0.38578605734147 15.999 > 27 28 O 0.49401332951729 0.12953441320612 0.42743854006285 15.999 > 28 29 O 0.84528118790062 0.81806010127552 0.61421394265853 15.999 > 29 30 O 0.18193989872448 0.02722108662510 0.61421394265853 15.999 > 30 31 O 0.81806010127552 0.97277891337490 0.38578605734147 15.999 > 31 32 O 0.15471881209938 0.18193989872448 0.38578605734147 15.999 > 32 33 O 0.50598667048271 0.87046558679388 0.57256145993715 15.999 > 33 34 O 0.97277891337490 0.15471881209938 0.61421394265853 15.999 > 34 35 O 0.36447891631117 0.49401332951729 0.57256145993715 15.999 > 35 36 O 0.87046558679388 0.36447891631117 0.42743854006285 15.999 > 36 37 O 0.79620107987279 0.96885441702216 0.90589479327049 15.999 > 25 38 O 0.30218775035550 0.83932000381604 0.76077187339618 15.999 > 26 39 O 0.69388775329177 0.17861452123395 0.71911939067480 15.999 > 27 40 O 0.16067999618396 0.46286774653946 0.76077187339618 15.999 > 28 41 O 0.51194785456729 0.15139343460885 0.94754727599186 15.999 > 29 42 O 0.84860656539115 0.36055441995844 0.94754727599186 15.999 > 30 43 O 0.48472676794218 0.30611224670823 0.71911939067480 15.999 > 31 44 O 0.82138547876605 0.51527323205782 0.71911939067480 15.999 > 32 45 O 0.17265333714937 0.20379892012721 0.90589479327049 15.999 > 33 46 O 0.63944558004156 0.48805214543271 0.94754727599186 15.999 > 34 47 O 0.03114558297784 0.82734666285063 0.90589479327049 15.999 > 35 48 O 0.53713225346054 0.69781224964450 0.76077187339618 15.999 > 36 49 O 0.46286774653946 0.30218775035550 0.23922812660382 15.999 > 25 50 O 0.96885441702216 0.17265333714937 0.09410520672951 15.999 > 26 51 O 0.36055441995844 0.51194785456729 0.05245272400814 15.999 > 27 52 O 0.82734666285063 0.79620107987279 0.09410520672951 15.999 > 28 53 O 0.17861452123395 0.48472676794218 0.28088060932520 15.999 > 29 54 O 0.51527323205782 0.69388775329177 0.28088060932520 15.999 > 30 55 O 0.15139343460885 0.63944558004156 0.05245272400814 15.999 > 31 56 O 0.48805214543271 0.84860656539115 0.05245272400814 15.999 > 32 57 O 0.83932000381604 0.53713225346054 0.23922812660382 15.999 > 33 58 O 0.30611224670823 0.82138547876605 0.28088060932520 15.999 > 34 59 O 0.69781224964450 0.16067999618396 0.23922812660382 15.999 > 35 60 O 0.20379892012721 0.03114558297784 0.09410520672951 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5140961 -0.0000125 0.0000000 0.0000125 4.5140961 0.0000000 0.0000000 0.0000000 4.3413473 -------------------------- Born effective charges -------------------------- 1 La 4.1353337 0.1608855 0.1546007 0.1516063 4.0886672 -0.0014667 0.0148605 0.0615547 3.8446234 2 La 4.2356467 -0.0936905 -0.0760302 -0.1029698 3.9883541 0.1346215 -0.0607382 -0.0179078 3.8446234 3 La 3.9650209 -0.0532762 -0.0785705 -0.0625554 4.2589800 -0.1331548 0.0458777 -0.0436469 3.8446234 4 La 3.9650209 -0.0532762 -0.0785705 -0.0625554 4.2589800 -0.1331548 0.0458777 -0.0436469 3.8446234 5 La 4.2356467 -0.0936905 -0.0760302 -0.1029698 3.9883541 0.1346215 -0.0607382 -0.0179078 3.8446234 6 La 4.1353337 0.1608855 0.1546007 0.1516063 4.0886672 -0.0014667 0.0148605 0.0615547 3.8446234 7 Sc 4.4186289 -0.1643921 -0.0000000 0.1643921 4.4186289 -0.0000000 -0.0000000 0.0000000 2.9002715 8 Sc 3.6035975 0.0245700 -0.0000000 -0.0245700 3.6035975 -0.0000000 -0.0000000 0.0000000 4.5237417 9 O -2.5051869 -0.0785818 -0.3322104 -0.1161674 -2.3949668 -0.1286993 -0.3196130 -0.1921381 -3.0084139 10 O -2.5068507 0.1152068 0.2775621 0.0776212 -2.3933030 -0.2233530 0.3262030 -0.1807239 -3.0084139 11 O -2.9535911 0.1047855 0.2668638 0.1050430 -3.0443315 -0.3746896 0.2531314 -0.3753044 -2.0735451 12 O -2.3381929 0.0197534 0.0546483 -0.0178322 -2.5619608 0.3520523 -0.0065900 0.3728620 -3.0084139 13 O -2.9307880 -0.0918776 0.1910588 -0.0916202 -3.0671346 0.4184556 0.1984575 0.4068705 -2.0735451 14 O -3.1125048 -0.0132941 -0.4579226 -0.0130366 -2.8854178 -0.0437661 -0.4515889 -0.0315660 -2.0735451 15 O -3.1125048 -0.0132941 -0.4579226 -0.0130366 -2.8854178 -0.0437661 -0.4515889 -0.0315660 -2.0735451 16 O -2.9307880 -0.0918776 0.1910588 -0.0916202 -3.0671346 0.4184556 0.1984575 0.4068705 -2.0735451 17 O -2.3381929 0.0197534 0.0546483 -0.0178322 -2.5619608 0.3520523 -0.0065900 0.3728620 -3.0084139 18 O -2.9535911 0.1047855 0.2668638 0.1050430 -3.0443315 -0.3746896 0.2531314 -0.3753044 -2.0735451 19 O -2.5068507 0.1152068 0.2775621 0.0776212 -2.3933030 -0.2233530 0.3262030 -0.1807239 -3.0084139 20 O -2.5051869 -0.0785818 -0.3322104 -0.1161674 -2.3949668 -0.1286993 -0.3196130 -0.1921381 -3.0084139 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzz) 0.00000000 (yzz) 0.00000000 (yzz) 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 ... [ 7 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.572 ( 0.000 0.000 0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.668 ( 0.000 0.000 0.000) 0.000 8.253 ( 0.000 0.000 0.000) 0.000 8.253 ( 0.000 0.000 0.000) 0.000 8.385 ( 0.000 0.000 0.000) 0.000 8.385 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.259 ( 0.000 0.000 0.000) 0.000 9.414 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.098 ( 0.000 0.000 0.000) 0.000 10.118 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 11.345 ( 0.000 0.000 0.000) 0.000 11.689 ( 0.000 0.000 0.000) 0.000 11.689 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 14.493 ( 0.000 0.000 0.000) 0.000 15.185 ( 0.000 0.000 0.000) 0.000 15.185 ( 0.000 0.000 0.000) 0.000 15.464 ( 0.000 0.000 0.000) 0.000 15.464 ( 0.000 0.000 0.000) 0.000 16.150 ( 0.000 0.000 0.000) 0.000 16.745 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 18.252 6.455 16.394) 25.369 0.612 ( 24.281 8.282 14.876) 29.655 1.157 ( 38.805 27.096 27.814) 54.897 2.273 ( -4.661 -0.655 0.315) 4.717 2.402 ( 1.859 -0.849 10.701) 10.895 2.769 ( 1.899 0.673 -1.010) 2.253 3.145 ( 1.650 2.244 -1.302) 3.075 3.540 ( -6.708 -8.656 -4.175) 11.719 3.629 ( -10.652 -2.197 -4.628) 11.820 3.653 ( -6.387 -1.106 4.437) 7.855 3.963 ( 4.121 -4.912 -3.280) 7.202 4.074 ( 5.490 7.429 -5.084) 10.544 4.339 ( -7.244 -4.166 3.188) 8.944 4.421 ( -5.609 -1.799 -4.904) 7.665 4.739 ( 11.611 5.577 -0.063) 12.881 5.545 ( -9.261 -5.904 -5.620) 12.338 5.836 ( -9.967 -5.678 5.337) 12.652 6.198 ( -8.447 2.144 -5.968) 10.563 6.296 ( 3.387 -2.736 0.171) 4.358 6.631 ( -9.976 -3.162 8.197) 13.293 6.821 ( -1.501 -0.514 -4.250) 4.537 6.898 ( 0.504 -1.443 0.167) 1.538 6.938 ( 2.410 3.882 0.504) 4.597 7.032 ( 5.275 -0.771 3.664) 6.468 7.080 ( 1.171 1.470 -0.295) 1.902 7.254 ( 2.469 -1.578 3.938) 4.908 7.589 ( -1.215 0.168 -2.857) 3.110 7.705 ( 2.914 3.678 -2.740) 5.433 8.101 ( -5.894 -9.362 -3.418) 11.579 8.218 ( 0.763 -0.967 -5.387) 5.526 8.288 ( 5.408 11.745 -18.451) 22.530 8.434 ( 0.215 -2.280 5.773) 6.210 8.509 ( 6.596 3.032 -5.069) 8.854 8.990 ( 2.609 1.438 -0.865) 3.102 9.145 ( -5.583 -3.478 0.693) 6.614 9.313 ( -5.277 -2.884 -6.396) 8.779 9.425 ( -0.493 -3.253 4.750) 5.778 9.566 ( -2.103 -8.695 -0.064) 8.946 9.583 ( -0.692 8.429 -5.957) 10.345 9.713 ( -0.086 1.653 2.420) 2.932 9.885 ( -5.404 -0.761 5.933) 8.061 10.088 ( -0.419 0.279 3.185) 3.224 10.125 ( 0.703 -2.916 1.175) 3.221 10.208 ( 4.171 2.551 4.024) 6.333 10.343 ( 9.370 -0.518 4.128) 10.252 10.992 ( -1.809 5.227 -2.659) 6.137 11.089 ( 5.788 -0.271 3.419) 6.728 11.301 ( 2.363 2.032 -0.245) 3.126 11.673 ( -0.276 -1.072 -1.536) 1.894 11.685 ( -0.196 1.355 -2.463) 2.818 11.879 ( -0.601 -2.077 -0.323) 2.186 11.959 ( 2.048 3.414 2.262) 4.579 14.336 ( 12.925 7.286 -19.513) 24.513 15.146 ( -7.805 -2.151 0.837) 8.139 15.202 ( -0.469 -1.324 3.016) 3.327 15.359 ( -4.806 -7.443 0.548) 8.877 15.415 ( -3.305 1.361 10.342) 10.942 16.184 ( 5.390 2.778 -4.958) 7.833 16.823 ( 5.963 2.760 2.150) 6.914 17.193 ( 0.708 2.603 -3.393) 4.335 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 17.113 7.751 14.758) 23.890 1.200 ( 21.545 8.747 14.090) 27.189 2.181 ( -5.404 -4.286 -0.850) 6.950 2.197 ( 29.946 17.893 18.877) 39.664 2.528 ( -4.581 2.612 10.426) 11.684 2.827 ( 5.846 2.417 3.396) 7.179 3.112 ( -2.095 -0.784 -4.459) 4.988 3.314 ( -6.410 -6.191 -2.233) 9.187 3.422 ( -7.281 -0.606 -3.477) 8.091 3.665 ( -0.859 -1.908 6.490) 6.819 3.871 ( 0.752 -4.188 -9.182) 10.121 4.047 ( -1.863 -2.190 -3.069) 4.206 4.256 ( -5.572 -3.409 -2.579) 7.023 4.377 ( 2.125 9.206 1.562) 9.576 4.925 ( 10.710 -0.103 -1.781) 10.858 5.158 ( -20.411 -10.671 -10.425) 25.282 5.626 ( -11.198 -8.174 -0.413) 13.870 6.008 ( -10.064 4.405 -6.368) 12.698 6.372 ( 1.566 -0.325 5.483) 5.711 6.552 ( -4.541 -0.778 0.385) 4.623 6.736 ( -1.240 -3.615 -3.667) 5.296 6.908 ( 1.049 0.496 0.471) 1.252 7.009 ( 4.224 -0.040 -0.930) 4.325 7.084 ( -0.406 4.313 0.510) 4.362 7.177 ( 6.561 -1.886 3.193) 7.537 7.290 ( -1.407 0.943 0.445) 1.752 7.592 ( 4.825 1.471 -1.350) 5.222 7.716 ( 1.217 1.458 -4.088) 4.508 7.943 ( -3.269 -5.642 1.103) 6.613 8.116 ( 3.982 -3.047 -14.940) 15.759 8.194 ( -7.931 4.177 -0.561) 8.982 8.483 ( -2.323 -1.905 7.337) 7.928 8.605 ( 2.645 -1.094 7.363) 7.899 8.941 ( -8.714 -3.743 -1.128) 9.551 9.064 ( -5.677 -2.261 -7.492) 9.668 9.122 ( 2.957 3.558 -4.394) 6.381 9.452 ( 1.043 -2.987 -4.125) 5.199 9.460 ( -1.914 2.147 1.122) 3.087 9.610 ( -1.226 -0.392 2.613) 2.913 9.750 ( 2.399 0.145 0.049) 2.404 9.875 ( 0.200 -1.129 -0.866) 1.437 10.119 ( 0.140 -0.513 3.106) 3.151 10.138 ( -0.374 -1.546 3.711) 4.037 10.325 ( 3.179 0.892 2.585) 4.193 10.564 ( 11.256 3.926 2.537) 12.188 10.962 ( -1.866 2.205 -2.647) 3.918 11.166 ( 3.911 1.052 -0.431) 4.073 11.452 ( 7.022 -0.025 7.331) 10.151 11.614 ( -3.911 0.101 -3.112) 4.999 11.647 ( -1.348 0.663 -1.031) 1.822 11.849 ( -0.111 -0.622 -1.609) 1.729 12.057 ( 2.683 4.160 1.774) 5.258 14.340 ( 9.429 5.635 -13.526) 17.424 14.913 ( -14.680 -10.140 0.611) 17.852 15.210 ( -2.806 0.844 2.577) 3.903 15.324 ( 0.971 -3.705 2.735) 4.706 15.574 ( 1.541 5.105 12.241) 13.352 16.179 ( 4.048 0.740 -9.815) 10.643 16.961 ( 5.509 0.256 2.554) 6.077 17.191 ( -1.012 4.017 -0.280) 4.152 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 14.491 8.984 11.614) 20.630 1.689 ( 12.110 6.197 10.618) 17.257 1.972 ( -7.511 -8.350 -8.428) 14.042 2.333 ( -6.727 -4.536 -4.595) 9.324 2.702 ( -3.209 9.110 8.750) 13.033 2.958 ( -1.417 -11.199 -5.424) 12.524 3.134 ( 0.984 3.573 0.786) 3.789 3.339 ( 0.530 5.404 -1.320) 5.588 3.488 ( 23.124 5.883 16.959) 29.274 3.697 ( 1.654 -2.135 -1.423) 3.053 3.809 ( 1.434 6.169 3.017) 7.015 3.970 ( -1.877 -1.532 -0.725) 2.529 4.158 ( -1.912 -1.930 -0.875) 2.855 4.354 ( -16.684 -9.246 -14.971) 24.248 4.719 ( -6.265 8.614 2.014) 10.840 4.912 ( -0.229 -13.712 -5.969) 14.957 5.526 ( 1.629 -0.024 2.362) 2.870 5.823 ( -8.126 1.549 -4.730) 9.529 6.418 ( -2.915 1.019 3.117) 4.387 6.528 ( 1.789 -1.272 -0.639) 2.286 6.656 ( -0.651 -1.773 -1.844) 2.640 6.934 ( 0.496 0.777 0.281) 0.963 7.025 ( 0.427 -0.114 -0.444) 0.626 7.151 ( 2.075 2.470 2.579) 4.130 7.231 ( -0.613 -2.418 -2.037) 3.220 7.271 ( 0.612 1.216 -0.186) 1.374 7.704 ( 5.203 1.254 2.015) 5.719 7.707 ( 3.209 0.382 0.173) 3.237 7.890 ( -5.739 -0.505 -2.388) 6.237 7.951 ( 0.948 -3.178 -5.771) 6.656 8.141 ( -2.883 0.722 0.838) 3.088 8.534 ( 0.165 -0.677 4.904) 4.953 8.709 ( 1.040 -2.680 2.046) 3.529 8.780 ( -4.087 -2.227 2.280) 5.182 8.874 ( -4.874 1.958 -7.544) 9.192 9.165 ( 1.704 2.549 -1.741) 3.526 9.445 ( 3.039 -1.776 0.069) 3.520 9.462 ( -2.690 2.862 2.074) 4.441 9.569 ( -1.428 -3.343 -2.222) 4.260 9.802 ( 2.475 2.995 -0.168) 3.889 9.848 ( 0.031 -3.305 -0.453) 3.336 10.159 ( -0.176 0.005 2.313) 2.319 10.162 ( -0.093 -0.448 1.570) 1.636 10.372 ( 0.608 0.591 0.240) 0.881 10.765 ( 8.298 4.090 1.085) 9.314 10.903 ( -3.472 -2.491 -1.149) 4.424 11.238 ( 3.130 2.974 -0.116) 4.319 11.498 ( -3.882 -1.845 -0.959) 4.404 11.559 ( 2.660 -3.586 -0.758) 4.528 11.694 ( 0.360 2.888 5.202) 5.961 11.821 ( -0.269 1.006 -2.746) 2.937 12.128 ( 1.153 1.806 0.551) 2.212 14.371 ( 6.513 4.407 -6.894) 10.458 14.665 ( -9.319 -7.058 1.854) 11.836 15.207 ( -1.380 0.595 0.992) 1.801 15.344 ( 0.535 -1.210 1.248) 1.818 15.817 ( 2.247 5.111 13.336) 14.457 16.059 ( 0.548 -2.715 -12.511) 12.814 17.027 ( 1.252 -0.982 1.160) 1.970 17.220 ( 0.232 2.618 0.156) 2.633 ======================= Grid point 8 (5/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 1.197 12.269 20.954) 24.311 0.840 ( -6.578 14.214 23.243) 28.027 1.602 ( 2.534 34.699 37.093) 50.856 2.305 ( -0.253 -9.160 6.599) 11.292 2.578 ( 1.809 5.701 11.583) 13.036 2.767 ( -1.673 3.998 1.133) 4.479 3.105 ( 1.031 -5.495 -2.486) 6.119 3.477 ( -2.278 -10.708 -3.470) 11.484 3.648 ( 1.242 -9.211 -2.616) 9.655 3.656 ( 5.725 -1.265 -1.177) 5.980 3.816 ( -9.168 -2.537 -6.381) 11.455 4.044 ( 3.386 10.531 -8.796) 14.133 4.308 ( 2.633 -7.878 0.741) 8.339 4.482 ( -1.342 -0.034 -2.017) 2.423 4.659 ( -1.404 6.427 -2.121) 6.912 5.501 ( -0.283 -7.238 -5.559) 9.131 5.875 ( -2.545 -15.169 0.141) 15.381 6.118 ( 11.128 -6.022 -5.127) 13.653 6.286 ( -6.562 5.963 -0.987) 8.921 6.695 ( 4.713 -14.859 0.146) 15.590 6.780 ( -1.809 -3.057 -1.104) 3.720 6.861 ( -1.357 4.736 -3.888) 6.276 6.963 ( -0.210 -2.633 0.971) 2.814 7.037 ( 0.321 3.592 2.472) 4.373 7.164 ( 3.412 3.447 3.852) 6.194 7.190 ( -5.074 -3.205 -0.024) 6.002 7.568 ( -0.733 0.270 -3.539) 3.625 7.679 ( 2.405 5.444 -4.595) 7.519 7.919 ( -5.258 19.033 -20.290) 28.313 8.128 ( -4.180 -6.348 -1.991) 7.857 8.221 ( 7.267 2.025 -3.114) 8.162 8.543 ( -2.367 -1.435 9.609) 10.000 8.562 ( 1.037 -0.444 9.220) 9.289 8.967 ( 0.778 7.627 -3.785) 8.550 9.144 ( 1.661 -6.656 -1.189) 6.963 9.257 ( -6.119 -11.352 -7.745) 15.043 9.334 ( 6.499 -1.516 -6.506) 9.320 9.527 ( -2.039 3.579 0.387) 4.137 9.588 ( -2.497 -7.298 2.627) 8.149 9.719 ( 3.122 -2.176 1.371) 4.045 9.934 ( -1.601 7.316 -5.646) 9.379 10.137 ( 1.406 -1.999 4.490) 5.112 10.241 ( 5.957 6.757 2.637) 9.386 10.263 ( -2.920 3.307 4.699) 6.445 10.317 ( -8.091 -1.755 6.291) 10.399 10.968 ( 7.484 -4.940 1.445) 9.083 11.144 ( -8.176 6.133 5.114) 11.429 11.289 ( 2.200 0.033 1.231) 2.521 11.611 ( 1.305 -2.962 -2.519) 4.101 11.701 ( 0.169 5.011 -1.688) 5.291 11.887 ( -1.809 -1.362 0.328) 2.288 11.991 ( 2.201 4.056 2.869) 5.434 14.150 ( 0.002 13.270 -12.311) 18.102 15.174 ( 1.335 -8.430 3.636) 9.277 15.252 ( 0.850 -1.538 3.682) 4.080 15.367 ( -7.250 -8.576 0.838) 11.261 15.506 ( 5.182 1.511 5.994) 8.066 16.092 ( -0.402 9.092 -10.330) 13.767 16.865 ( -0.942 6.833 3.659) 7.808 17.181 ( 1.826 -0.312 1.912) 2.662 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 6.356 10.129 21.415) 24.527 1.238 ( 10.001 14.237 18.278) 25.234 2.221 ( -7.387 -7.316 4.447) 11.308 2.367 ( 6.558 14.846 18.489) 24.602 2.809 ( 3.296 3.833 10.078) 11.275 2.853 ( -1.794 12.147 11.373) 16.736 2.980 ( 2.362 -10.231 -6.564) 12.383 3.301 ( -3.649 -11.064 -2.757) 11.972 3.486 ( -7.040 -1.129 -2.008) 7.408 3.647 ( 2.621 -0.182 -8.448) 8.847 3.739 ( 2.702 -2.670 3.978) 5.500 4.029 ( 1.289 0.321 -3.650) 3.884 4.278 ( -8.397 -1.619 -4.230) 9.541 4.402 ( 3.370 6.028 -1.488) 7.065 4.737 ( 8.275 -1.374 -2.703) 8.813 5.245 ( -16.044 -8.136 -6.613) 19.166 5.631 ( -5.798 -12.505 -4.840) 14.609 6.061 ( -4.335 -2.958 -7.283) 8.977 6.350 ( 6.023 1.694 4.920) 7.960 6.587 ( -1.969 -11.278 -2.214) 11.660 6.668 ( -3.910 0.210 -4.593) 6.036 6.861 ( 2.961 3.451 -4.423) 6.344 6.965 ( 2.037 -1.589 1.172) 2.837 7.116 ( 4.559 -0.312 -0.397) 4.587 7.183 ( 0.410 2.814 4.264) 5.125 7.278 ( 2.941 -1.487 3.483) 4.795 7.510 ( 1.572 2.546 -6.043) 6.743 7.664 ( -0.527 3.900 -5.933) 7.119 7.798 ( 2.865 5.510 -12.180) 13.672 8.002 ( -3.055 -3.644 -2.323) 5.292 8.245 ( 0.424 0.311 -2.620) 2.672 8.596 ( -1.815 -4.118 6.319) 7.758 8.681 ( -0.357 -2.846 10.474) 10.859 8.945 ( -4.071 -4.551 -8.038) 10.094 9.022 ( -3.152 -1.914 -4.916) 6.145 9.102 ( 2.019 2.868 -3.636) 5.052 9.336 ( 4.644 -0.471 -4.517) 6.496 9.460 ( -1.406 -3.379 1.949) 4.147 9.604 ( -0.104 -1.853 -0.977) 2.098 9.745 ( 1.819 -1.348 1.918) 2.967 9.890 ( -4.048 4.464 -0.466) 6.044 10.176 ( -1.037 0.163 2.651) 2.851 10.218 ( -3.826 0.858 2.631) 4.722 10.396 ( 0.042 3.559 7.497) 8.299 10.467 ( 9.359 2.990 3.718) 10.505 11.054 ( -1.741 -3.630 1.795) 4.408 11.078 ( -0.806 4.453 0.141) 4.528 11.369 ( 6.455 -4.518 0.363) 7.888 11.615 ( 1.971 -0.918 -0.999) 2.393 11.711 ( -2.749 4.637 2.756) 6.054 11.873 ( -2.122 2.432 0.823) 3.331 12.099 ( 1.655 5.115 2.853) 6.086 14.145 ( 5.458 10.425 -10.966) 16.085 15.037 ( -11.925 -13.419 2.181) 18.084 15.198 ( -1.462 -7.331 1.770) 7.682 15.353 ( 2.080 0.029 2.468) 3.228 15.712 ( 5.721 4.475 10.404) 12.689 16.027 ( 0.378 7.741 -12.610) 14.801 16.951 ( 0.736 2.209 2.692) 3.559 17.242 ( 0.995 2.684 2.438) 3.760 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 5.782 11.959 14.071) 19.351 1.727 ( 12.406 10.910 13.351) 21.241 1.996 ( -15.491 -8.058 -1.191) 17.502 2.412 ( -8.922 -4.844 2.136) 10.375 2.671 ( -0.890 -17.643 -11.403) 21.026 2.958 ( -2.647 7.391 2.403) 8.210 3.131 ( 0.718 -7.080 1.346) 7.243 3.398 ( -2.505 5.635 -1.196) 6.281 3.481 ( 13.495 10.058 12.688) 21.078 3.713 ( 2.341 6.262 4.978) 8.335 3.818 ( 8.290 0.621 6.169) 10.352 4.028 ( -1.439 0.716 5.281) 5.520 4.098 ( -1.755 -1.366 -7.435) 7.761 4.392 ( -13.854 0.585 -9.815) 16.989 4.692 ( 0.645 -14.144 -6.812) 15.712 4.901 ( -8.871 4.469 1.062) 9.990 5.503 ( 3.160 -4.207 0.834) 5.327 5.848 ( -7.412 -4.626 -7.218) 11.333 6.426 ( -2.067 -5.467 -4.848) 7.594 6.495 ( 3.674 -1.056 3.893) 5.456 6.604 ( 1.156 1.556 -3.284) 3.813 6.866 ( 3.722 -0.489 -4.539) 5.890 7.008 ( 1.967 -0.500 1.429) 2.482 7.165 ( 6.476 -0.843 -3.631) 7.473 7.252 ( -2.971 -3.330 1.374) 4.670 7.294 ( -3.578 4.628 5.985) 8.369 7.565 ( 12.176 0.165 -4.410) 12.951 7.655 ( 5.608 1.723 -1.989) 6.195 7.776 ( 2.339 5.226 -5.988) 8.285 7.906 ( -2.718 -1.425 -3.443) 4.612 8.208 ( -1.496 -0.641 -1.062) 1.944 8.599 ( -0.853 -4.362 3.550) 5.688 8.689 ( -3.810 -5.496 -2.232) 7.051 8.805 ( 0.841 -5.830 3.367) 6.785 8.866 ( -6.139 -0.821 -5.292) 8.147 9.145 ( 4.760 7.741 -6.549) 11.202 9.355 ( 3.386 -2.656 -1.899) 4.704 9.459 ( 1.130 -1.047 -0.375) 1.585 9.558 ( -1.396 0.351 0.894) 1.694 9.811 ( 1.885 0.922 3.038) 3.693 9.882 ( -3.399 0.365 3.508) 4.899 10.189 ( -1.229 0.985 0.310) 1.606 10.201 ( -2.544 1.376 0.233) 2.902 10.470 ( -4.756 -0.963 7.536) 8.963 10.687 ( 10.204 5.938 2.379) 12.043 10.951 ( -6.840 -2.786 0.684) 7.417 11.181 ( 6.577 2.860 -0.804) 7.217 11.413 ( 6.909 -5.060 -0.747) 8.596 11.560 ( -5.132 -1.006 -0.163) 5.232 11.799 ( 1.519 0.931 3.540) 3.963 11.857 ( -6.054 4.908 1.615) 7.960 12.174 ( -1.295 3.768 2.171) 4.538 14.215 ( 9.257 9.807 -7.471) 15.418 14.808 ( -11.583 -7.844 4.561) 14.714 15.135 ( 1.762 -11.647 0.177) 11.781 15.392 ( -0.639 0.809 1.133) 1.531 15.895 ( -3.120 4.875 -13.592) 14.773 15.987 ( 5.788 5.980 11.689) 14.349 16.977 ( 1.290 -3.074 0.089) 3.335 17.299 ( -2.097 4.398 2.198) 5.345 ======================= Grid point 11 (8/60) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -20.686 -2.448 -6.285) 21.758 1.714 ( -11.942 -4.267 -5.723) 13.914 2.077 ( 2.379 6.824 9.402) 11.859 2.398 ( 1.371 -1.893 2.027) 3.094 2.483 ( 6.179 -2.437 3.440) 7.480 2.978 ( 3.950 -1.695 -3.310) 5.425 3.141 ( 0.173 -1.049 3.470) 3.630 3.357 ( -3.010 1.625 -1.880) 3.904 3.613 ( -16.665 -1.922 -8.309) 18.721 3.701 ( -16.448 -12.518 -12.101) 23.952 3.799 ( 2.690 5.105 5.108) 7.707 4.028 ( 3.183 0.334 7.643) 8.286 4.099 ( 1.142 4.324 -4.232) 6.157 4.429 ( 2.854 1.282 8.184) 8.762 4.532 ( 15.142 0.793 5.846) 16.251 5.041 ( 4.286 12.718 3.086) 13.771 5.522 ( -4.643 -3.479 -2.520) 6.326 5.713 ( 8.608 -6.308 2.197) 10.896 6.320 ( 0.794 -2.693 -4.407) 5.225 6.533 ( 0.682 -1.576 -0.670) 1.844 6.651 ( 3.833 4.128 0.197) 5.637 6.863 ( 4.000 -0.603 -3.407) 5.289 7.037 ( 0.599 -1.940 2.368) 3.120 7.178 ( -0.942 0.173 -3.544) 3.671 7.193 ( 2.990 -3.826 -1.228) 5.008 7.342 ( -4.841 -0.270 5.999) 7.713 7.646 ( 6.308 -1.265 -4.094) 7.626 7.760 ( -0.954 3.592 1.416) 3.977 7.824 ( 3.125 1.183 -0.736) 3.422 7.850 ( 10.196 3.417 -4.080) 11.501 8.173 ( -0.382 0.314 -1.174) 1.274 8.512 ( -4.103 -3.145 -2.697) 5.831 8.649 ( 3.771 -3.422 -6.105) 7.950 8.760 ( -1.409 2.961 2.882) 4.365 8.863 ( 4.584 -5.217 6.162) 9.284 9.187 ( 4.173 5.850 -6.096) 9.423 9.357 ( 2.066 -4.844 2.837) 5.982 9.459 ( -0.115 1.307 -0.474) 1.395 9.595 ( 0.622 2.544 0.773) 2.731 9.836 ( -2.896 -1.596 1.010) 3.457 9.883 ( -0.492 0.822 0.769) 1.228 10.142 ( -2.530 -1.015 -1.313) 3.026 10.205 ( -2.989 6.279 0.122) 6.955 10.448 ( -5.449 -3.032 4.229) 7.535 10.816 ( -5.934 -5.791 -1.984) 8.525 10.889 ( 5.433 5.359 2.590) 8.059 11.243 ( -0.423 -0.378 -0.287) 0.636 11.474 ( 6.099 -5.455 1.787) 8.375 11.522 ( 0.675 3.547 0.055) 3.611 11.721 ( -7.455 -1.027 -4.023) 8.533 11.902 ( -3.097 3.811 5.517) 7.386 12.169 ( -4.595 0.187 1.019) 4.711 14.389 ( 11.585 8.590 -1.451) 14.495 14.712 ( -6.955 -1.112 7.377) 10.200 15.071 ( 4.221 -11.673 -1.216) 12.472 15.379 ( -0.806 -0.732 -1.246) 1.655 15.688 ( -6.748 3.472 -12.545) 14.661 16.230 ( 1.923 4.790 9.217) 10.564 16.961 ( 2.779 -3.687 -1.947) 5.011 17.295 ( -5.782 2.007 1.947) 6.422 ======================= Grid point 12 (9/60) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -23.668 -1.274 -7.001) 24.715 1.297 ( -22.643 -6.343 -8.985) 25.173 2.151 ( 1.636 -2.994 3.524) 4.905 2.412 ( -8.391 2.510 -4.553) 9.871 2.510 ( -28.570 -1.957 -1.254) 28.664 2.852 ( -7.625 -2.824 -4.633) 9.358 3.069 ( 8.317 -1.790 4.170) 9.475 3.325 ( 3.340 4.764 1.522) 6.014 3.370 ( 4.684 -1.381 4.185) 6.432 3.530 ( 0.666 -4.046 -9.589) 10.429 3.922 ( 4.190 3.560 0.750) 5.549 4.117 ( 3.388 5.508 -6.169) 8.938 4.227 ( 5.938 -1.432 8.746) 10.668 4.317 ( -2.713 -5.692 3.150) 7.049 5.040 ( 2.155 2.058 -1.901) 3.535 5.120 ( 7.960 7.282 9.437) 14.333 5.512 ( 9.074 3.764 -0.561) 9.840 5.889 ( 12.262 -4.720 5.647) 14.301 6.292 ( 2.745 0.246 -3.054) 4.113 6.511 ( 0.779 -1.367 -1.034) 1.882 6.751 ( 3.722 2.312 1.643) 4.680 6.879 ( 1.947 3.482 -3.303) 5.179 7.066 ( 0.123 -2.965 3.740) 4.775 7.091 ( -4.811 -1.917 -0.984) 5.272 7.200 ( 3.687 -2.555 -1.531) 4.740 7.269 ( -6.321 -3.269 -2.171) 7.440 7.640 ( -1.549 0.015 -0.248) 1.569 7.782 ( -1.984 1.266 3.454) 4.179 7.896 ( 6.205 6.772 -0.787) 9.219 7.997 ( 10.200 -3.764 -3.663) 11.473 8.240 ( 7.855 2.454 3.152) 8.812 8.424 ( -1.608 0.085 -2.543) 3.010 8.578 ( 0.961 -0.837 -2.612) 2.906 8.848 ( 3.745 3.219 -1.382) 5.129 9.048 ( 10.647 -1.838 9.377) 14.306 9.222 ( 4.042 3.443 -3.418) 6.315 9.371 ( -4.256 -3.235 4.589) 7.045 9.500 ( 4.034 -1.965 3.913) 5.954 9.597 ( -1.805 3.801 -2.726) 5.014 9.772 ( -1.495 -4.973 -1.158) 5.320 9.861 ( -2.572 5.192 -4.622) 7.412 10.088 ( -1.948 -0.328 -0.988) 2.209 10.205 ( -3.694 4.501 -0.092) 5.824 10.380 ( -4.329 -2.765 -0.423) 5.154 10.622 ( -9.836 -6.452 -1.809) 11.901 10.993 ( 0.595 3.709 1.032) 3.896 11.194 ( -2.507 -3.501 1.823) 4.676 11.451 ( -7.301 -2.333 -5.268) 9.300 11.584 ( 5.747 -0.923 0.663) 5.858 11.631 ( 1.317 1.402 1.477) 2.425 11.945 ( -4.093 5.012 4.032) 7.624 12.078 ( -6.220 -3.391 -0.385) 7.094 14.602 ( -0.629 1.919 11.393) 11.570 14.780 ( 8.983 6.574 -1.462) 11.227 15.040 ( 5.900 -8.369 -1.625) 10.368 15.337 ( 1.849 -4.193 -2.774) 5.357 15.477 ( -8.559 5.456 -7.833) 12.821 16.326 ( -3.213 1.125 3.651) 4.992 16.953 ( 1.646 -1.230 -2.337) 3.112 17.235 ( -6.262 -0.454 3.177) 7.037 ======================= Grid point 13 (10/60) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -24.813 -3.861 -4.763) 25.560 0.829 ( -28.371 4.941 -1.792) 28.853 1.672 ( -56.351 -0.767 2.702) 56.421 2.252 ( 2.685 0.366 6.835) 7.353 2.334 ( -1.647 -0.580 -6.703) 6.927 2.807 ( -2.483 0.087 -0.477) 2.529 3.201 ( -2.439 0.478 3.230) 4.076 3.436 ( 10.411 -0.084 -7.535) 12.851 3.513 ( 12.517 -1.633 2.455) 12.860 3.536 ( 7.239 1.020 4.470) 8.569 3.971 ( 0.117 2.203 -3.166) 3.859 4.157 ( 10.108 -3.234 -3.475) 11.167 4.232 ( -3.646 -0.814 2.636) 4.572 4.434 ( 1.660 2.615 3.555) 4.715 4.860 ( -10.180 -0.488 -1.999) 10.386 5.446 ( 14.627 -0.035 -0.759) 14.647 5.675 ( 9.693 0.229 0.742) 9.724 6.114 ( 11.358 -0.446 4.622) 12.270 6.300 ( 0.352 1.064 -1.780) 2.104 6.529 ( 3.109 -0.739 1.067) 3.369 6.820 ( 2.972 -1.723 1.635) 3.805 6.887 ( -0.076 3.497 -3.043) 4.636 6.993 ( -3.751 1.393 -0.166) 4.005 7.067 ( -6.127 -3.504 -0.389) 7.069 7.125 ( -2.787 -1.037 -0.028) 2.974 7.206 ( 0.789 0.367 -1.169) 1.457 7.612 ( -1.508 0.355 -0.047) 1.550 7.789 ( -5.064 0.574 2.297) 5.590 8.009 ( 11.084 -3.073 -4.924) 12.512 8.106 ( 8.074 4.603 2.338) 9.584 8.362 ( 2.589 -3.795 2.657) 5.307 8.409 ( -0.440 1.957 -0.580) 2.088 8.702 ( 14.800 0.468 0.113) 14.808 8.845 ( -0.387 -0.242 -1.933) 1.986 9.260 ( 2.063 -2.126 -8.675) 9.167 9.294 ( -2.036 2.744 7.866) 8.576 9.313 ( 5.198 0.041 3.360) 6.190 9.473 ( -0.689 -1.805 -4.962) 5.325 9.658 ( -0.120 -0.255 2.895) 2.908 9.735 ( 5.240 -1.926 4.701) 7.299 9.793 ( -5.950 5.705 -4.112) 9.212 10.063 ( -0.471 -0.637 1.001) 1.276 10.157 ( -2.540 -1.357 -3.238) 4.333 10.263 ( -3.583 -1.766 -3.944) 5.613 10.418 ( -13.560 1.630 0.935) 13.690 11.020 ( -0.728 -1.409 3.348) 3.704 11.140 ( -6.173 1.105 -2.009) 6.585 11.312 ( -1.715 0.110 0.150) 1.725 11.660 ( 2.778 -3.489 2.097) 4.928 11.680 ( 3.037 3.694 -2.039) 5.199 11.938 ( -4.933 -0.460 -2.704) 5.644 11.974 ( -4.406 0.309 3.860) 5.866 14.619 ( -8.138 -0.046 -0.324) 8.145 15.009 ( 17.982 1.116 -2.160) 18.145 15.088 ( 5.192 -0.208 2.927) 5.964 15.291 ( 0.167 -5.095 0.049) 5.098 15.376 ( -3.649 4.303 -0.549) 5.669 16.278 ( -5.315 -0.075 -0.484) 5.337 16.891 ( -5.784 -0.050 -0.985) 5.868 17.227 ( -0.540 0.029 2.346) 2.407 ======================= Grid point 15 (11/60) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -7.723 11.667 16.674) 21.766 1.365 ( -9.611 15.041 19.860) 26.702 2.289 ( 7.116 -5.182 5.584) 10.425 2.358 ( -9.989 18.222 21.578) 29.958 2.622 ( 3.539 0.040 8.743) 9.432 2.887 ( 0.766 3.244 3.498) 4.832 3.026 ( -3.721 -7.167 0.075) 8.076 3.371 ( 0.789 -6.279 -1.743) 6.564 3.412 ( 7.375 -0.988 0.514) 7.459 3.695 ( -3.397 -3.885 0.714) 5.210 3.777 ( 0.257 -0.901 -11.983) 12.020 3.956 ( -1.827 1.406 -6.662) 7.050 4.212 ( 3.492 -1.051 -0.688) 3.711 4.429 ( 3.999 -0.240 2.107) 4.527 4.829 ( -12.677 7.554 -3.403) 15.144 5.230 ( 16.548 -9.373 -6.736) 20.176 5.750 ( 4.547 -11.859 0.420) 12.708 5.800 ( 7.279 -9.254 -9.663) 15.232 6.422 ( -2.616 -0.225 4.683) 5.369 6.519 ( 1.791 -5.866 -2.955) 6.808 6.754 ( 0.931 -0.634 -1.550) 1.916 6.842 ( -1.640 2.837 -7.109) 7.828 7.001 ( -5.216 0.429 0.907) 5.312 7.069 ( 0.739 0.287 1.600) 1.786 7.157 ( -3.783 -8.413 -2.827) 9.647 7.244 ( -0.495 5.271 1.142) 5.416 7.588 ( -2.686 4.161 -1.759) 5.256 7.659 ( -2.116 4.338 -3.166) 5.772 7.912 ( -5.105 9.554 -15.380) 18.811 8.069 ( 6.558 -0.208 -0.938) 6.628 8.113 ( -0.743 -6.058 -0.693) 6.143 8.619 ( 2.725 -3.723 7.674) 8.954 8.694 ( -2.394 -1.314 8.815) 9.228 8.931 ( 4.463 -0.129 -7.373) 8.619 8.951 ( 3.625 -9.247 -9.020) 13.417 9.090 ( 2.023 -0.140 -3.288) 3.863 9.308 ( -5.447 0.227 -0.932) 5.531 9.572 ( 1.872 -1.973 2.130) 3.455 9.639 ( -5.683 -0.095 1.599) 5.904 9.667 ( 2.370 -0.298 -1.552) 2.848 9.938 ( 1.697 5.145 -1.356) 5.585 10.172 ( 0.381 -1.024 5.157) 5.271 10.248 ( 3.841 5.579 2.258) 7.140 10.336 ( 1.955 -1.100 2.283) 3.200 10.535 ( -10.813 4.099 2.611) 11.855 10.902 ( -0.257 -0.759 1.553) 1.747 11.209 ( 4.552 0.326 0.866) 4.646 11.472 ( -13.820 1.137 7.402) 15.718 11.518 ( 1.740 -5.754 -3.033) 6.733 11.693 ( 4.468 6.512 -1.374) 8.016 11.903 ( 2.836 1.751 1.801) 3.788 12.052 ( -1.191 3.362 3.449) 4.962 14.140 ( -5.149 9.878 -11.173) 15.778 15.094 ( 12.729 -4.564 2.327) 13.722 15.152 ( -0.003 -14.091 2.932) 14.393 15.413 ( -1.719 -3.128 0.574) 3.615 15.624 ( -4.590 5.187 9.597) 11.835 16.053 ( -1.603 9.085 -11.748) 14.938 17.000 ( -2.530 4.411 2.839) 5.824 17.181 ( 1.145 -0.449 3.616) 3.820 ======================= Grid point 16 (12/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 2.874 11.031 17.571) 20.945 1.632 ( -5.175 15.848 19.194) 25.424 2.364 ( -4.932 -9.130 10.075) 14.463 2.472 ( 2.863 -0.042 -4.734) 5.533 2.744 ( -2.805 -15.542 -3.245) 16.123 2.983 ( 2.877 5.433 11.013) 12.612 3.071 ( 4.867 2.608 2.586) 6.097 3.309 ( -5.886 8.221 8.117) 12.966 3.469 ( 3.066 -5.418 -2.132) 6.580 3.540 ( -2.863 -3.033 -3.270) 5.300 3.692 ( 4.684 -2.045 -6.931) 8.612 3.978 ( 3.624 3.771 6.329) 8.210 4.291 ( 2.602 2.654 -1.379) 3.965 4.423 ( -4.588 3.279 -3.444) 6.608 4.693 ( -5.485 2.987 -0.653) 6.280 5.239 ( 1.335 -5.893 -4.435) 7.495 5.509 ( -4.017 -13.132 -6.349) 15.129 5.877 ( 9.752 -7.332 -4.181) 12.897 6.420 ( -4.287 2.797 1.686) 5.389 6.447 ( 2.625 -10.067 -2.207) 10.635 6.690 ( -5.044 -0.893 -2.025) 5.508 6.765 ( 1.672 1.796 -7.696) 8.078 6.948 ( 0.552 -1.151 -2.179) 2.525 7.021 ( 1.103 -2.328 -1.809) 3.148 7.147 ( 4.366 -3.900 2.072) 6.210 7.297 ( 1.911 4.188 0.042) 4.604 7.498 ( -5.067 4.341 -7.391) 9.957 7.653 ( -0.107 4.493 -2.335) 5.064 7.767 ( -4.743 8.967 -7.776) 12.781 7.978 ( -2.771 -7.827 -0.281) 8.308 8.168 ( 4.449 -0.152 -2.226) 4.977 8.617 ( -1.530 -6.613 -0.193) 6.790 8.762 ( 0.828 -3.784 3.807) 5.431 8.812 ( 0.430 -7.155 -5.559) 9.071 8.937 ( 7.757 -0.205 -6.754) 10.287 9.009 ( -4.013 -2.595 -3.144) 5.720 9.285 ( -0.247 3.901 -2.201) 4.486 9.521 ( -4.550 -0.243 1.275) 4.732 9.618 ( -1.669 -1.394 1.032) 2.407 9.733 ( 3.263 0.682 4.725) 5.783 9.985 ( -1.443 4.382 1.862) 4.975 10.228 ( -0.733 -0.451 4.181) 4.269 10.272 ( -2.118 0.074 -2.701) 3.433 10.449 ( 4.819 1.472 3.898) 6.371 10.523 ( -0.163 5.908 6.293) 8.633 10.971 ( 4.269 0.046 3.387) 5.450 11.219 ( -0.822 -6.687 -2.935) 7.349 11.336 ( -10.578 1.834 3.111) 11.177 11.542 ( 5.881 -2.434 1.113) 6.461 11.789 ( 0.921 5.638 0.780) 5.766 11.974 ( -2.200 4.033 5.003) 6.792 12.156 ( 2.426 5.580 3.733) 7.139 14.062 ( 0.516 10.702 -9.769) 14.499 15.033 ( -2.171 -19.024 4.859) 19.755 15.243 ( -9.527 -4.282 -3.301) 10.954 15.272 ( 9.854 -2.438 1.303) 10.234 15.805 ( 3.174 7.917 8.979) 12.385 15.983 ( -1.669 9.767 -9.099) 13.452 17.004 ( -1.945 -1.601 1.043) 2.726 17.285 ( 2.010 4.636 4.388) 6.693 ======================= Grid point 17 (13/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 4.381 8.186 11.570) 14.835 1.948 ( 0.596 16.161 12.147) 20.226 2.209 ( -15.897 -2.748 1.288) 16.184 2.389 ( -0.894 -14.505 -3.068) 14.853 2.541 ( -7.054 -4.831 3.872) 9.385 2.958 ( 1.171 -11.473 -6.843) 13.410 3.078 ( -1.048 0.051 0.276) 1.085 3.403 ( 0.874 -3.458 -2.862) 4.573 3.505 ( 4.919 -0.360 2.086) 5.356 3.664 ( 9.943 -1.648 -9.214) 13.655 3.773 ( 14.815 8.297 13.301) 21.570 4.129 ( -10.417 2.097 -4.766) 11.646 4.226 ( -2.700 10.151 14.702) 18.068 4.432 ( -2.388 6.387 -3.182) 7.525 4.620 ( -7.737 -4.172 -0.487) 8.804 5.069 ( -10.917 -0.677 -0.383) 10.944 5.376 ( 6.927 -6.931 -1.313) 9.886 5.796 ( -3.776 -5.857 -5.562) 8.916 6.331 ( -0.135 -5.685 -5.372) 7.823 6.469 ( 3.449 -1.874 2.658) 4.740 6.606 ( -2.915 2.263 -0.456) 3.719 6.726 ( 4.303 -2.253 -5.275) 7.171 6.953 ( 7.167 -0.407 -5.985) 9.346 7.020 ( 1.228 -1.853 -0.079) 2.224 7.195 ( 6.297 -7.457 -0.428) 9.769 7.396 ( 2.173 8.650 -3.897) 9.733 7.408 ( 3.430 2.237 0.003) 4.095 7.624 ( -3.540 3.428 -1.416) 5.127 7.773 ( 2.161 5.949 -0.248) 6.334 7.879 ( -2.182 -4.044 -2.361) 5.167 8.165 ( 0.836 -1.177 -3.072) 3.394 8.532 ( 1.759 -6.403 -3.315) 7.422 8.656 ( -3.450 -7.671 -3.722) 9.198 8.768 ( 2.018 -5.810 1.187) 6.264 8.888 ( -3.027 -2.397 -1.511) 4.146 8.986 ( 6.229 2.562 -6.456) 9.330 9.280 ( 1.734 1.364 -2.900) 3.644 9.513 ( -2.754 4.451 2.543) 5.819 9.595 ( -0.848 -0.176 0.592) 1.049 9.853 ( 1.316 0.811 5.198) 5.423 9.979 ( -4.980 -0.617 1.733) 5.309 10.214 ( -1.906 -0.449 0.064) 1.959 10.276 ( -1.538 4.982 2.441) 5.757 10.566 ( 1.979 -2.767 5.180) 6.197 10.675 ( 3.795 5.813 3.200) 7.644 11.023 ( -6.100 -8.305 0.732) 10.331 11.118 ( 4.954 5.881 -0.480) 7.705 11.315 ( 1.362 -0.657 0.652) 1.647 11.588 ( 0.338 -1.948 0.581) 2.061 11.829 ( -1.304 1.038 1.065) 1.978 12.027 ( -4.384 5.263 4.780) 8.353 12.262 ( -0.825 4.378 3.245) 5.512 14.090 ( 6.515 10.005 -7.272) 13.980 14.922 ( -3.158 -15.897 8.285) 18.203 15.050 ( -5.466 -3.692 -4.079) 7.756 15.347 ( 3.652 -2.701 -2.248) 5.068 15.888 ( -5.205 9.787 -7.741) 13.520 16.070 ( 6.422 5.347 8.694) 12.059 16.954 ( -1.665 -4.141 -0.453) 4.486 17.385 ( -0.443 4.389 2.888) 5.273 ======================= Grid point 18 (14/60) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -14.847 -7.338 -4.920) 17.277 1.883 ( -15.863 8.751 -4.075) 18.569 2.216 ( -6.785 -5.848 5.561) 10.543 2.347 ( 5.783 10.085 9.432) 14.970 2.597 ( -1.205 2.521 9.094) 9.513 2.819 ( 5.256 -6.402 -3.479) 8.984 3.092 ( 5.437 -4.471 -1.487) 7.195 3.372 ( -0.718 0.620 -2.688) 2.850 3.464 ( 5.727 -11.786 -7.776) 15.238 3.775 ( 9.721 6.132 -3.952) 12.154 3.913 ( -8.024 2.569 -3.045) 8.958 4.063 ( -27.195 -2.922 -2.835) 27.498 4.223 ( 6.727 4.320 9.865) 12.698 4.313 ( -4.484 -10.546 -3.019) 11.851 4.656 ( 2.227 13.264 11.612) 17.769 5.104 ( 5.045 9.638 3.218) 11.344 5.507 ( 10.648 -3.430 2.989) 11.579 5.575 ( -7.458 -7.005 -4.752) 11.281 6.234 ( 1.022 -3.153 -3.828) 5.063 6.501 ( 0.633 -1.547 -0.154) 1.679 6.649 ( 2.161 3.395 1.802) 4.410 6.751 ( 6.875 0.238 -0.860) 6.933 6.989 ( 9.351 1.019 -7.034) 11.746 7.029 ( 1.994 -2.635 2.018) 3.872 7.168 ( 0.584 -8.730 -0.400) 8.759 7.426 ( -1.379 3.315 -2.784) 4.543 7.526 ( 4.666 -2.809 2.846) 6.145 7.642 ( 9.404 2.736 -3.546) 10.416 7.818 ( 0.006 3.841 -1.795) 4.239 7.851 ( 0.102 4.518 1.497) 4.761 8.110 ( 0.617 -1.485 -4.156) 4.457 8.481 ( 2.172 -5.476 -3.085) 6.650 8.531 ( -1.952 -3.593 -0.765) 4.160 8.809 ( 5.424 -6.392 5.863) 10.230 8.855 ( -1.743 3.135 1.369) 3.839 9.004 ( 7.389 0.659 -7.222) 10.353 9.310 ( 4.619 -0.393 0.299) 4.645 9.564 ( -2.224 7.138 2.855) 8.003 9.599 ( -0.421 1.449 -0.652) 1.644 9.850 ( -3.464 -5.453 -0.683) 6.497 9.938 ( -2.839 3.513 0.556) 4.551 10.181 ( -3.276 0.581 0.654) 3.391 10.315 ( -3.549 3.926 1.788) 5.586 10.533 ( -6.944 -4.565 -0.238) 8.314 10.751 ( 3.315 -0.437 -3.465) 4.816 10.947 ( -0.856 -2.287 5.427) 5.951 11.243 ( 2.278 4.658 0.194) 5.188 11.354 ( 5.027 -1.531 -1.042) 5.357 11.564 ( -1.199 -2.231 2.142) 3.317 11.771 ( -6.258 -0.468 -1.702) 6.502 12.066 ( -4.131 5.214 4.437) 7.996 12.265 ( -5.558 0.413 1.099) 5.681 14.231 ( 12.857 7.110 -4.120) 15.258 14.905 ( -2.028 -10.011 10.653) 14.759 14.939 ( -2.020 -0.139 -1.207) 2.357 15.283 ( 0.747 -5.337 -6.268) 8.266 15.770 ( -9.881 7.952 -4.824) 13.569 16.288 ( 5.964 3.143 3.944) 7.811 16.897 ( -0.296 -3.465 -0.221) 3.485 17.409 ( -3.804 2.023 1.667) 4.620 ======================= Grid point 19 (15/60) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -21.118 -3.059 -3.500) 21.624 1.606 ( -24.528 7.422 -1.766) 25.688 2.217 ( -1.279 0.657 5.168) 5.364 2.416 ( -4.658 -4.025 -1.031) 6.242 2.740 ( 8.728 4.319 1.092) 9.800 2.968 ( -3.187 -3.819 -4.298) 6.574 3.015 ( -1.445 1.211 5.320) 5.644 3.294 ( 0.489 -2.073 -4.045) 4.571 3.432 ( 0.261 -1.235 1.419) 1.899 3.492 ( -25.186 -0.355 3.841) 25.480 3.874 ( 5.391 0.017 -3.792) 6.591 3.943 ( 7.749 6.857 -9.838) 14.278 4.159 ( -1.406 -10.938 3.135) 11.465 4.483 ( 1.767 5.572 10.541) 12.054 4.892 ( 11.491 2.050 -3.444) 12.170 5.207 ( -5.019 -0.182 -2.661) 5.683 5.437 ( 3.972 1.025 0.146) 4.105 5.719 ( 15.152 -2.230 4.109) 15.857 6.234 ( 3.300 0.536 0.430) 3.371 6.489 ( -0.271 -0.889 0.254) 0.964 6.729 ( 3.526 -1.051 2.291) 4.335 6.858 ( 2.579 7.811 -1.575) 8.375 7.051 ( 3.756 -0.789 -4.531) 5.938 7.085 ( 3.962 -2.386 3.745) 5.951 7.107 ( 2.411 -5.072 2.422) 6.116 7.288 ( -7.160 -2.876 -4.227) 8.798 7.612 ( 6.612 -0.494 -0.338) 6.639 7.784 ( 5.689 -0.771 -0.779) 5.793 7.862 ( 3.879 6.199 -1.288) 7.425 7.906 ( -0.330 2.386 3.225) 4.026 8.105 ( 7.805 -1.630 -1.853) 8.186 8.441 ( 0.144 -0.802 0.205) 0.840 8.497 ( 0.016 -2.089 -0.238) 2.103 8.864 ( -0.221 0.054 0.514) 0.562 8.991 ( 9.957 -1.763 6.147) 11.834 9.047 ( 7.454 1.426 -2.990) 8.157 9.414 ( 6.804 -2.574 3.749) 8.184 9.540 ( -4.264 -2.481 -4.025) 6.367 9.621 ( -2.796 8.792 0.743) 9.255 9.748 ( -3.539 -0.464 -1.457) 3.855 9.924 ( -2.604 3.748 -1.015) 4.675 10.147 ( -4.355 1.045 1.338) 4.674 10.258 ( -4.737 -3.011 -2.826) 6.285 10.352 ( -4.341 -3.974 -4.674) 7.516 10.735 ( -4.960 1.215 2.514) 5.692 11.008 ( 1.354 0.995 1.389) 2.180 11.232 ( -3.100 -0.842 -0.510) 3.253 11.388 ( 4.961 -3.963 -2.036) 6.668 11.597 ( -0.538 2.815 1.661) 3.313 11.647 ( -5.091 0.119 -1.030) 5.196 12.098 ( -4.087 5.187 2.355) 7.011 12.148 ( -7.848 -4.312 -0.438) 8.966 14.452 ( 17.831 0.672 -2.322) 17.994 14.887 ( -6.827 -0.609 0.247) 6.858 14.958 ( 0.714 2.196 2.301) 3.260 15.211 ( 4.313 -6.975 2.051) 8.453 15.627 ( -11.344 5.238 -1.705) 12.611 16.360 ( 1.033 -0.333 -2.105) 2.368 16.902 ( 1.960 -0.448 1.060) 2.272 17.362 ( -5.971 0.006 1.191) 6.088 ======================= Grid point 20 (16/60) ======================= q-point: (-0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -22.436 4.156 6.743) 23.793 1.320 ( -25.740 10.216 4.176) 28.006 2.197 ( 2.454 1.064 -9.628) 9.993 2.408 ( -3.649 -4.769 12.224) 13.619 2.484 ( -32.363 2.471 3.909) 32.692 2.871 ( -10.310 4.322 5.537) 12.475 3.159 ( 4.731 -3.507 -8.724) 10.525 3.200 ( 10.361 1.120 -1.249) 10.496 3.450 ( -0.255 -1.888 1.411) 2.371 3.513 ( 3.134 2.138 7.867) 8.734 3.910 ( 5.379 -2.178 -6.713) 8.874 3.968 ( 6.446 4.795 -2.659) 8.462 4.180 ( 5.388 -4.283 2.414) 7.294 4.560 ( -8.650 0.683 2.116) 8.931 4.922 ( 1.759 3.052 -4.978) 6.098 5.135 ( 12.380 -8.546 -8.467) 17.262 5.519 ( 8.349 -3.235 -0.772) 8.987 5.983 ( 12.965 -0.721 2.247) 13.178 6.309 ( 0.897 1.080 3.305) 3.591 6.498 ( 1.839 0.079 1.068) 2.128 6.759 ( 1.719 -3.589 -1.657) 4.311 6.879 ( 0.840 0.745 -0.432) 1.203 7.038 ( -1.508 4.666 -1.506) 5.130 7.132 ( -0.026 -1.431 0.878) 1.679 7.146 ( -4.191 -0.434 0.638) 4.261 7.212 ( 2.943 4.250 2.727) 5.845 7.656 ( -3.286 1.180 0.017) 3.491 7.767 ( 6.191 -2.940 -5.425) 8.741 7.896 ( -4.267 -0.731 2.836) 5.175 8.048 ( 9.614 5.460 0.272) 11.059 8.221 ( 11.312 -7.561 -0.374) 13.612 8.464 ( -2.456 -2.401 0.774) 3.521 8.499 ( 3.241 3.923 0.933) 5.174 8.870 ( 2.079 -2.817 2.733) 4.441 9.069 ( 8.247 -0.429 -7.120) 10.904 9.241 ( 6.456 -4.201 4.890) 9.123 9.346 ( -5.568 2.598 -4.521) 7.628 9.533 ( 0.475 -1.213 5.218) 5.378 9.614 ( 1.012 0.863 -7.601) 7.716 9.718 ( -1.946 5.054 0.219) 5.420 9.912 ( -2.574 1.820 0.440) 3.183 10.105 ( -3.314 -3.531 2.088) 5.274 10.118 ( -1.894 -3.186 -0.038) 3.707 10.291 ( -1.753 4.673 -0.313) 5.001 10.666 ( -11.965 4.862 1.263) 12.977 11.004 ( 0.783 -2.939 -1.645) 3.458 11.202 ( -2.245 1.127 0.512) 2.564 11.388 ( -1.535 2.669 1.365) 3.368 11.593 ( 2.298 -0.900 -0.692) 2.564 11.655 ( 0.949 1.898 -0.016) 2.122 11.964 ( -6.864 -4.597 -3.415) 8.939 12.102 ( -4.837 1.583 2.308) 5.588 14.595 ( 1.910 -1.863 -10.885) 11.207 14.756 ( 6.623 -3.152 -1.236) 7.439 15.077 ( 5.508 6.345 2.474) 8.758 15.295 ( 0.717 -4.166 6.945) 8.131 15.524 ( -8.036 1.546 5.874) 10.073 16.296 ( -1.572 -0.479 -5.528) 5.767 16.939 ( -0.258 1.536 1.380) 2.081 17.281 ( -5.135 -1.382 -0.345) 5.329 ======================= Grid point 22 (17/60) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -9.268 8.859 12.845) 18.148 1.832 ( -6.055 13.105 15.274) 21.016 2.040 ( 17.065 -5.440 -8.134) 19.672 2.404 ( 10.076 -8.353 1.986) 13.238 2.700 ( -0.571 -7.801 7.767) 11.023 3.006 ( -2.335 -3.042 -2.556) 4.609 3.125 ( 9.856 0.492 -3.823) 10.582 3.236 ( -10.807 7.620 2.988) 13.557 3.598 ( -6.937 0.008 -1.512) 7.100 3.658 ( -1.000 1.513 -1.088) 2.115 3.769 ( -10.877 3.769 9.701) 15.054 3.912 ( -1.668 -1.534 2.453) 3.339 4.200 ( 2.987 5.227 0.938) 6.093 4.400 ( 10.719 -0.152 -4.995) 11.827 4.657 ( 8.981 -11.742 -5.526) 15.782 5.073 ( 7.025 9.047 -1.100) 11.507 5.546 ( 2.076 -3.576 1.019) 4.258 5.646 ( -4.582 -11.640 -5.047) 13.489 6.391 ( -0.075 -5.775 -1.160) 5.891 6.533 ( -1.138 0.835 0.573) 1.524 6.698 ( 3.413 3.574 -2.317) 5.458 6.835 ( -4.800 0.226 -3.865) 6.166 7.068 ( -2.520 -2.113 -1.460) 3.598 7.107 ( -6.037 -2.539 1.936) 6.829 7.112 ( -1.638 -2.645 -1.251) 3.353 7.290 ( -0.206 1.594 -1.175) 1.991 7.667 ( -8.261 2.507 -2.259) 8.924 7.690 ( -1.955 3.442 -2.831) 4.866 7.838 ( 1.662 1.865 -6.743) 7.191 7.989 ( 4.685 4.165 -0.723) 6.310 8.085 ( -2.559 -4.426 -0.955) 5.201 8.604 ( 2.604 -6.329 0.109) 6.844 8.717 ( 1.991 -4.824 -7.152) 8.854 8.755 ( 4.354 -1.369 0.245) 4.571 8.823 ( -2.944 -3.774 4.548) 6.603 9.116 ( -3.891 5.857 -3.102) 7.686 9.380 ( -5.093 1.863 -2.362) 5.915 9.543 ( 4.181 -2.767 2.992) 5.839 9.602 ( 3.305 0.829 -0.101) 3.409 9.739 ( -4.325 -0.471 1.966) 4.774 9.932 ( 4.293 1.719 1.846) 4.979 10.200 ( 2.250 0.865 1.237) 2.709 10.232 ( 6.175 2.497 -0.883) 6.719 10.318 ( -3.073 -4.071 1.415) 5.293 10.738 ( -7.443 2.518 3.450) 8.581 10.956 ( 0.537 4.479 0.660) 4.559 11.180 ( -1.543 -0.651 0.208) 1.688 11.404 ( 0.890 -7.317 -2.399) 7.751 11.638 ( 1.558 0.940 -0.808) 1.991 11.730 ( -4.499 0.878 2.998) 5.477 11.890 ( 7.423 6.022 5.486) 11.021 12.142 ( -1.022 2.895 2.697) 4.086 14.194 ( -9.135 8.074 -7.627) 14.381 14.872 ( 14.999 -3.647 3.731) 15.880 15.109 ( -3.754 -13.119 2.105) 13.807 15.399 ( 0.644 -0.315 -1.569) 1.725 15.856 ( -4.225 5.475 1.836) 7.155 15.993 ( 0.060 5.269 -3.102) 6.115 17.025 ( 0.190 -3.634 -0.135) 3.641 17.256 ( 0.245 5.240 4.070) 6.640 ======================= Grid point 23 (18/60) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.881 9.211 14.423) 17.217 1.977 ( 1.023 4.667 -0.551) 4.809 2.222 ( 9.684 2.236 8.472) 13.060 2.478 ( 4.133 -9.507 4.151) 11.167 2.698 ( -1.308 -6.751 2.008) 7.164 2.879 ( -5.220 -4.839 -1.372) 7.249 3.122 ( 8.766 -6.514 -9.718) 14.619 3.327 ( -0.432 6.850 -1.411) 7.007 3.474 ( -2.418 -2.909 -2.888) 4.759 3.563 ( -1.049 0.635 0.460) 1.310 3.594 ( -9.909 -6.123 1.097) 11.700 4.185 ( 1.094 11.503 14.940) 18.887 4.368 ( 0.657 13.116 9.913) 16.454 4.410 ( -1.766 -1.427 -3.769) 4.400 4.659 ( 14.178 -2.114 -9.683) 17.299 5.187 ( -2.714 4.749 3.233) 6.354 5.368 ( -4.822 -12.488 -6.433) 14.852 5.640 ( 11.153 -5.818 0.824) 12.607 6.314 ( 0.648 -6.372 -3.567) 7.331 6.507 ( -3.803 -0.026 -0.467) 3.832 6.689 ( -1.333 2.924 -6.308) 7.080 6.771 ( -4.630 2.116 2.219) 5.553 6.873 ( -4.970 -4.276 -5.656) 8.659 7.026 ( -3.408 -6.264 0.578) 7.154 7.105 ( -0.880 -0.772 -0.695) 1.361 7.305 ( 2.453 4.944 -0.852) 5.585 7.491 ( -5.833 2.047 -7.936) 10.060 7.657 ( -0.521 1.898 -2.277) 3.010 7.821 ( -2.238 5.033 -2.405) 6.010 7.953 ( -2.714 -7.665 -0.001) 8.131 8.098 ( 3.028 2.683 -1.131) 4.201 8.491 ( 1.113 -8.133 -6.337) 10.370 8.678 ( 3.951 -2.129 -6.006) 7.498 8.750 ( -3.923 -3.570 0.817) 5.367 8.844 ( 2.029 -1.006 2.041) 3.049 9.030 ( -4.924 -0.252 -2.971) 5.756 9.295 ( -2.968 3.807 -4.719) 6.751 9.576 ( 1.582 -4.322 0.806) 4.672 9.630 ( -3.145 2.136 2.052) 4.320 9.792 ( 2.393 0.395 7.259) 7.653 10.035 ( 2.521 0.283 3.157) 4.050 10.221 ( 2.136 -0.017 -3.735) 4.302 10.277 ( 1.191 -1.440 4.370) 4.752 10.401 ( 7.930 4.532 1.436) 9.246 10.679 ( -6.928 1.362 4.031) 8.130 11.017 ( 0.561 3.251 2.916) 4.403 11.136 ( -1.570 -1.911 -2.998) 3.886 11.426 ( 5.176 -3.504 0.623) 6.281 11.528 ( -7.472 -1.334 0.568) 7.612 11.809 ( 3.459 2.262 1.737) 4.484 12.094 ( 1.236 4.900 6.316) 8.089 12.212 ( 2.441 4.836 3.060) 6.221 14.068 ( -5.183 8.860 -6.853) 12.342 14.961 ( -1.388 -16.969 4.136) 17.521 15.107 ( 10.825 -0.982 2.120) 11.075 15.274 ( -5.809 -1.942 -7.029) 9.324 15.909 ( 3.363 8.568 -3.617) 9.889 16.035 ( -3.628 5.065 6.624) 9.093 16.982 ( 0.128 -4.727 -1.250) 4.891 17.369 ( 0.957 5.483 3.978) 6.841 ======================= Grid point 24 (19/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 0.823 -3.857 0.814) 4.027 1.999 ( 2.989 9.173 1.437) 9.754 2.474 ( -7.684 2.247 3.862) 8.888 2.489 ( -3.034 6.195 16.973) 18.321 2.636 ( 1.707 -7.754 2.181) 8.234 2.758 ( -3.409 -2.489 -2.389) 4.850 3.054 ( -1.478 -2.932 -7.694) 8.366 3.166 ( 8.591 -13.184 -12.345) 20.001 3.368 ( 0.157 -5.057 -4.023) 6.464 3.525 ( 0.836 1.474 0.326) 1.726 3.817 ( 9.965 6.679 12.332) 17.204 4.157 ( -8.233 -2.707 -7.804) 11.662 4.452 ( 2.566 7.576 2.109) 8.272 4.642 ( -7.585 6.231 1.661) 9.955 4.714 ( 1.577 7.831 10.210) 12.963 5.171 ( -4.816 -5.381 -1.890) 7.465 5.198 ( 4.340 -3.318 0.170) 5.466 5.732 ( 3.018 -2.632 -0.581) 4.047 6.213 ( 0.118 -5.055 -4.754) 6.940 6.439 ( -0.795 -1.976 -0.346) 2.158 6.619 ( 0.351 -0.127 -3.557) 3.577 6.729 ( -7.723 3.233 3.231) 8.974 6.794 ( 3.251 -0.167 -3.585) 4.842 6.948 ( 3.409 -6.340 -3.547) 8.025 7.069 ( 0.892 -2.592 -1.148) 2.972 7.371 ( -0.140 8.765 -6.676) 11.019 7.424 ( 1.371 1.243 4.414) 4.786 7.666 ( 1.646 -0.332 -0.361) 1.718 7.789 ( -1.989 1.696 -0.452) 2.653 7.853 ( -2.293 -3.742 -1.736) 4.719 8.132 ( 0.423 1.798 -0.859) 2.037 8.386 ( 2.256 -6.030 -4.153) 7.662 8.621 ( -2.100 -4.095 -2.589) 5.281 8.677 ( 1.390 -1.061 -1.641) 2.398 8.851 ( 0.483 -2.664 -0.493) 2.752 8.944 ( -1.876 0.515 -1.989) 2.782 9.255 ( -0.259 2.142 -2.003) 2.944 9.568 ( 0.245 -2.482 0.906) 2.653 9.649 ( -1.974 6.430 1.380) 6.867 9.874 ( 1.106 -5.011 3.046) 5.967 10.040 ( -1.831 -0.682 -0.083) 1.955 10.233 ( -0.031 1.613 -0.034) 1.614 10.373 ( 0.761 4.066 4.529) 6.134 10.563 ( 5.057 0.594 4.723) 6.945 10.683 ( 0.610 1.309 -0.460) 1.515 10.988 ( -1.939 -6.153 -3.202) 7.202 11.152 ( 1.241 5.875 3.813) 7.113 11.348 ( -4.452 -1.339 -1.757) 4.970 11.556 ( 2.635 -1.234 1.707) 3.373 11.861 ( 0.030 0.481 0.612) 0.779 12.162 ( -2.054 2.724 2.947) 4.508 12.335 ( 1.331 3.455 2.947) 4.733 14.025 ( 0.678 6.134 -4.505) 7.640 14.883 ( 0.218 -13.187 5.628) 14.340 15.068 ( -4.404 0.921 -6.318) 7.756 15.256 ( 3.770 -0.907 -0.021) 3.877 15.940 ( -0.918 5.400 -3.188) 6.338 16.143 ( 1.074 3.782 5.820) 7.024 16.926 ( -0.524 -3.535 -1.223) 3.777 17.452 ( 0.130 2.936 2.006) 3.559 ======================= Grid point 25 (20/60) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -5.884 -2.036 -1.413) 6.385 2.056 ( -5.239 3.887 -2.990) 7.176 2.384 ( -10.467 3.451 0.434) 11.030 2.582 ( -3.253 -6.802 8.635) 11.463 2.667 ( -8.364 10.349 -2.100) 13.471 2.778 ( 4.533 1.490 5.124) 7.002 2.925 ( 3.894 -4.299 -1.647) 6.029 3.132 ( 12.441 -9.484 -3.903) 16.123 3.340 ( 2.412 0.853 0.449) 2.598 3.612 ( 9.609 5.076 -4.389) 11.720 3.905 ( -5.261 -4.582 -9.937) 12.141 4.165 ( 11.818 2.899 9.647) 15.529 4.402 ( -11.346 -3.573 0.027) 11.896 4.483 ( -20.909 0.800 2.401) 21.061 4.852 ( -4.119 4.100 0.825) 5.870 5.115 ( 4.291 2.936 0.293) 5.207 5.307 ( 11.347 -3.582 0.573) 11.913 5.642 ( -9.440 -0.474 -2.752) 9.844 6.166 ( 1.423 -0.080 -0.012) 1.426 6.468 ( 3.686 -0.944 1.100) 3.961 6.627 ( 4.046 -1.827 1.000) 4.551 6.739 ( 0.780 3.719 3.248) 4.999 6.833 ( 3.908 5.197 -1.464) 6.666 6.946 ( 7.380 -5.231 -2.170) 9.303 7.068 ( 2.173 -2.957 0.427) 3.694 7.391 ( 4.023 1.342 -0.197) 4.246 7.484 ( -0.306 -4.959 -1.588) 5.216 7.597 ( -3.220 2.571 -0.752) 4.189 7.833 ( 1.864 4.087 0.546) 4.525 7.843 ( 3.767 -0.396 0.548) 3.828 8.108 ( -3.353 2.031 -0.988) 4.042 8.360 ( 3.448 -3.492 -0.788) 4.970 8.557 ( -2.490 -1.938 2.549) 4.056 8.728 ( 6.986 -1.110 0.883) 7.129 8.846 ( 1.576 -0.021 -0.873) 1.801 8.939 ( 1.058 1.377 1.703) 2.433 9.264 ( 1.933 0.301 0.166) 1.964 9.561 ( -0.146 -0.247 -0.918) 0.962 9.697 ( -0.012 5.908 -0.566) 5.935 9.842 ( -2.015 -2.260 -0.000) 3.028 10.012 ( -3.243 0.903 0.776) 3.454 10.232 ( -1.340 1.201 -0.246) 1.816 10.395 ( -3.728 -1.161 -0.245) 3.912 10.560 ( -8.040 -4.395 -6.442) 11.201 10.690 ( 4.312 2.170 1.898) 5.187 10.961 ( 2.443 -0.378 2.302) 3.378 11.228 ( 1.709 -4.040 -0.207) 4.392 11.329 ( 0.723 5.370 0.956) 5.502 11.560 ( 0.021 -1.994 -0.418) 2.038 11.839 ( -3.851 0.281 -0.240) 3.868 12.181 ( -1.589 2.309 1.095) 3.009 12.339 ( -4.171 -1.350 -0.647) 4.431 14.075 ( 7.209 0.030 -0.912) 7.266 14.869 ( 0.673 2.040 -1.811) 2.810 15.047 ( 2.070 -2.743 7.692) 8.425 15.209 ( -5.237 -1.391 -3.966) 6.715 15.903 ( -5.648 2.470 -0.600) 6.194 16.234 ( 4.671 -0.150 -1.217) 4.830 16.895 ( -0.729 -0.458 0.942) 1.276 17.468 ( -1.436 -0.108 0.086) 1.443 ======================= Grid point 26 (21/60) ======================= q-point: (-0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -16.813 2.791 5.505) 17.910 1.912 ( -8.507 2.230 -5.429) 10.335 2.227 ( -10.739 3.524 -7.578) 13.608 2.469 ( 1.624 -9.105 -2.933) 9.703 2.736 ( -5.800 4.699 9.237) 11.876 2.841 ( 4.901 0.415 -5.712) 7.538 2.963 ( 6.599 0.743 -1.590) 6.828 3.299 ( 4.987 3.497 8.568) 10.512 3.458 ( 4.600 0.997 7.233) 8.629 3.677 ( 3.494 -2.933 -9.733) 10.749 3.757 ( 8.374 3.497 -8.136) 12.188 4.088 ( -33.899 1.773 8.107) 34.900 4.245 ( -9.730 -3.921 4.308) 11.341 4.478 ( 13.803 1.965 3.032) 14.268 4.708 ( 1.030 -8.912 -13.079) 15.861 5.171 ( -3.857 -2.579 -2.655) 5.346 5.453 ( 0.300 2.546 -0.219) 2.573 5.534 ( 10.781 2.199 0.306) 11.008 6.236 ( 2.014 3.128 3.812) 5.327 6.509 ( -0.167 0.307 1.892) 1.924 6.691 ( 3.261 -3.291 3.189) 5.624 6.869 ( 0.201 0.903 -3.487) 3.607 6.911 ( 10.558 3.722 1.236) 11.263 7.028 ( 6.026 2.322 2.710) 7.003 7.111 ( 2.585 -0.242 3.653) 4.482 7.302 ( -5.798 -5.139 -3.984) 8.712 7.511 ( 6.850 1.004 3.703) 7.851 7.694 ( 8.397 0.614 1.944) 8.641 7.845 ( -1.498 -2.234 -1.257) 2.969 7.931 ( 3.677 5.028 1.540) 6.416 8.068 ( -2.615 -0.734 0.631) 2.789 8.403 ( 2.772 1.140 2.194) 3.714 8.560 ( -2.838 0.395 3.884) 4.826 8.830 ( 5.321 -0.959 -1.162) 5.530 8.855 ( 2.499 -0.431 -1.346) 2.871 9.043 ( 4.643 1.426 5.554) 7.378 9.337 ( 6.432 -1.799 2.885) 7.276 9.518 ( -3.598 0.514 -2.077) 4.186 9.710 ( -0.098 2.476 -3.713) 4.464 9.798 ( -3.643 4.029 -2.459) 5.962 9.977 ( -4.237 1.444 0.541) 4.509 10.192 ( -2.557 -3.031 -1.816) 4.361 10.267 ( -5.734 -1.572 -2.603) 6.490 10.361 ( -4.949 -2.298 -1.877) 5.771 10.786 ( 3.729 4.585 -1.002) 5.994 11.015 ( 0.104 -2.759 3.142) 4.183 11.201 ( 3.242 -5.942 -0.785) 6.814 11.335 ( -3.804 5.329 -3.197) 7.287 11.593 ( 4.064 -0.835 2.550) 4.870 11.754 ( -7.111 1.833 -1.405) 7.477 12.158 ( -3.992 -1.320 -4.766) 6.356 12.215 ( -4.520 -3.086 0.423) 5.489 14.200 ( 12.218 -5.577 1.616) 13.527 14.912 ( 0.742 9.933 -3.835) 10.673 15.022 ( -7.863 -0.333 -5.068) 9.361 15.215 ( 4.074 -1.838 11.914) 12.725 15.806 ( -9.292 -0.907 2.444) 9.650 16.238 ( 5.073 -3.030 -6.926) 9.104 16.922 ( -0.059 2.449 2.385) 3.419 17.414 ( -2.941 -2.657 -1.540) 4.252 ======================= Grid point 27 (22/60) ======================= q-point: (-0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -19.604 5.454 11.059) 23.160 1.753 ( -13.050 3.957 1.938) 13.774 2.020 ( 0.088 -0.635 -11.101) 11.119 2.380 ( 3.457 -4.244 -8.667) 10.251 2.759 ( -10.987 -2.393 11.146) 15.833 2.855 ( 9.280 2.240 -6.798) 11.720 3.087 ( 6.988 4.991 -0.950) 8.640 3.412 ( 0.975 -7.571 0.861) 7.682 3.507 ( -15.418 6.813 11.236) 20.258 3.647 ( -0.563 3.791 -3.863) 5.442 3.826 ( -4.297 4.719 10.771) 12.520 3.892 ( -1.915 5.562 -1.010) 5.969 4.164 ( -2.124 -3.775 1.286) 4.518 4.472 ( 12.938 -15.627 -19.432) 28.093 4.717 ( 10.125 3.503 0.906) 10.752 4.947 ( -9.830 -6.287 -4.667) 12.567 5.483 ( -1.028 4.561 2.134) 5.139 5.770 ( 15.072 -1.351 -1.626) 15.219 6.347 ( 2.531 1.583 4.538) 5.431 6.520 ( -1.404 1.936 0.396) 2.424 6.695 ( -0.621 -4.720 -0.857) 4.837 6.862 ( 3.322 -0.145 1.985) 3.873 7.081 ( 0.086 4.840 0.001) 4.841 7.093 ( 3.161 -0.529 0.322) 3.222 7.186 ( 1.929 2.164 -2.159) 3.615 7.249 ( 0.963 2.177 4.510) 5.100 7.657 ( 3.496 0.913 4.112) 5.474 7.750 ( -5.479 -0.197 0.078) 5.483 7.868 ( 13.009 -1.966 -2.486) 13.390 7.961 ( -3.565 -3.659 1.132) 5.233 8.090 ( 4.066 0.367 1.824) 4.472 8.490 ( -0.740 3.832 3.029) 4.940 8.588 ( -0.798 3.104 5.554) 6.412 8.801 ( 1.451 -3.516 -4.277) 5.723 8.899 ( 5.068 0.979 -2.965) 5.953 9.182 ( 4.669 -5.884 4.519) 8.766 9.437 ( -0.674 3.030 -1.065) 3.282 9.458 ( 1.090 -0.753 2.064) 2.453 9.609 ( -4.194 -0.190 -5.372) 6.818 9.779 ( -0.166 4.289 -1.211) 4.460 9.907 ( -2.902 -0.061 -3.810) 4.790 10.145 ( -2.021 -1.742 3.708) 4.568 10.174 ( -4.129 -3.151 1.841) 5.511 10.335 ( 0.972 5.051 -1.123) 5.265 10.825 ( -2.120 4.362 -1.426) 5.055 10.952 ( -3.521 -5.423 -1.849) 6.725 11.227 ( 2.287 0.191 1.252) 2.614 11.360 ( 5.946 3.801 0.850) 7.108 11.602 ( -4.381 -0.145 -2.143) 4.879 11.710 ( -1.919 2.585 3.231) 4.561 11.950 ( -5.637 -6.556 -6.376) 10.743 12.172 ( -2.328 -0.921 -0.443) 2.542 14.358 ( 12.947 -6.516 1.323) 14.555 14.737 ( -10.353 0.805 -7.302) 12.694 15.088 ( 5.081 10.353 0.219) 11.535 15.352 ( -0.628 -1.711 5.130) 5.444 15.744 ( -6.749 -2.563 10.940) 13.107 16.167 ( 3.534 -2.290 -10.095) 10.938 16.979 ( 0.320 3.377 1.953) 3.914 17.310 ( -3.621 -3.871 -2.373) 5.808 ======================= Grid point 57 (23/60) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.000 -0.000 24.784) 24.784 1.007 ( -0.000 -0.000 24.784) 24.784 1.864 ( -0.000 -0.000 44.780) 44.780 2.592 ( 0.000 0.000 10.374) 10.374 2.592 ( -0.000 -0.000 10.374) 10.374 2.754 ( -0.000 -0.000 3.555) 3.555 3.182 ( -0.000 -0.000 2.257) 2.257 3.585 ( 0.000 0.000 -2.639) 2.639 3.585 ( 0.000 0.000 -2.639) 2.639 3.734 ( 0.000 0.000 -11.052) 11.052 3.734 ( 0.000 0.000 -11.052) 11.052 3.753 ( 0.000 0.000 -2.360) 2.360 4.414 ( 0.000 0.000 -3.072) 3.072 4.414 ( 0.000 -0.000 -3.072) 3.072 4.560 ( 0.000 0.000 -1.528) 1.528 5.501 ( 0.000 0.000 -5.717) 5.717 6.046 ( 0.000 0.000 -10.873) 10.873 6.046 ( 0.000 0.000 -10.873) 10.873 6.196 ( -0.000 -0.000 10.523) 10.523 6.742 ( 0.000 0.000 -4.556) 4.556 6.742 ( 0.000 0.000 -4.556) 4.556 7.004 ( 0.000 0.000 1.104) 1.104 7.004 ( -0.000 -0.000 1.104) 1.104 7.037 ( 0.000 0.000 -10.159) 10.159 7.127 ( 0.000 -0.000 1.613) 1.613 7.127 ( -0.000 -0.000 1.613) 1.613 7.501 ( 0.000 0.000 -6.843) 6.843 7.501 ( 0.000 0.000 -6.843) 6.843 7.551 ( 0.000 0.000 -3.060) 3.060 8.192 ( 0.000 0.000 -1.275) 1.275 8.192 ( 0.000 -0.000 -1.275) 1.275 8.704 ( -0.000 -0.000 11.109) 11.109 8.704 ( -0.000 -0.000 11.109) 11.109 8.839 ( 0.000 0.000 -5.821) 5.821 9.176 ( 0.000 0.000 -2.036) 2.036 9.228 ( 0.000 0.000 -11.130) 11.130 9.228 ( 0.000 0.000 -11.130) 11.130 9.547 ( -0.000 -0.000 7.312) 7.312 9.710 ( 0.000 0.000 -1.301) 1.301 9.710 ( 0.000 0.000 -1.301) 1.301 9.750 ( 0.000 0.000 -6.006) 6.006 10.220 ( -0.000 -0.000 4.354) 4.354 10.292 ( -0.000 -0.000 9.546) 9.546 10.308 ( 0.000 0.000 1.999) 1.999 10.308 ( -0.000 -0.000 1.999) 1.999 11.139 ( 0.000 0.000 5.695) 5.695 11.139 ( -0.000 -0.000 5.695) 5.695 11.313 ( -0.000 -0.000 5.581) 5.581 11.603 ( 0.000 0.000 -3.636) 3.636 11.603 ( 0.000 0.000 -3.636) 3.636 11.961 ( 0.000 0.000 3.046) 3.046 11.961 ( -0.000 -0.000 3.046) 3.046 13.922 ( 0.000 0.000 -7.259) 7.259 15.319 ( -0.000 -0.000 5.811) 5.811 15.319 ( -0.000 -0.000 5.811) 5.811 15.506 ( 0.000 0.000 2.200) 2.200 15.506 ( 0.000 -0.000 2.200) 2.200 15.821 ( 0.000 0.000 -14.573) 14.573 16.862 ( -0.000 -0.000 5.687) 5.687 17.235 ( -0.000 -0.000 3.860) 3.860 ======================= Grid point 58 (24/60) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 2.468 5.262 21.380) 22.156 1.420 ( 10.947 0.801 21.175) 23.851 2.398 ( -6.928 -4.468 9.331) 12.451 2.547 ( 2.338 -0.974 21.860) 22.006 2.816 ( -0.449 8.372 4.910) 9.716 2.867 ( 3.829 -1.026 8.704) 9.564 3.125 ( -6.184 -6.127 1.561) 8.844 3.446 ( -5.669 -3.710 0.981) 6.846 3.462 ( -8.989 1.105 -2.740) 9.461 3.533 ( 4.738 -6.159 -10.636) 13.172 3.763 ( 3.378 4.015 1.999) 5.615 3.868 ( 7.375 8.080 -3.323) 11.434 4.242 ( -9.048 -2.438 -4.776) 10.517 4.396 ( 2.676 -3.643 -1.812) 4.870 4.659 ( 10.741 5.787 -3.760) 12.767 5.309 ( -13.728 -7.596 -5.007) 16.469 5.758 ( -6.739 -10.710 -8.789) 15.407 5.905 ( -7.559 5.721 -8.171) 12.516 6.393 ( 7.241 1.447 4.099) 8.446 6.624 ( -5.940 -1.167 -3.251) 6.871 6.715 ( -7.556 -7.058 -5.733) 11.822 6.744 ( 2.867 3.104 -4.000) 5.818 6.998 ( 2.097 -0.934 0.242) 2.309 7.110 ( 0.844 6.502 1.708) 6.776 7.142 ( 6.485 -2.366 -1.442) 7.052 7.212 ( -1.357 7.798 -8.242) 11.428 7.470 ( 11.105 -5.497 -1.975) 12.547 7.500 ( 5.895 4.747 -9.221) 11.929 7.577 ( 3.777 3.948 -1.795) 5.751 8.082 ( -5.424 -5.674 -0.778) 7.888 8.191 ( -1.303 2.481 -2.592) 3.817 8.742 ( -1.535 -3.743 2.592) 4.805 8.814 ( 0.134 -0.113 -1.034) 1.049 8.831 ( 0.033 4.434 0.371) 4.449 8.989 ( -9.073 -1.453 -6.196) 11.083 9.070 ( -2.139 -5.042 -3.314) 6.402 9.232 ( 5.116 4.587 -5.546) 8.831 9.591 ( -0.544 -6.998 1.639) 7.208 9.611 ( -1.439 -1.440 -1.449) 2.499 9.715 ( 0.242 4.707 2.534) 5.351 9.829 ( 5.546 2.869 -0.481) 6.262 10.251 ( -1.783 -1.949 3.676) 4.526 10.266 ( -2.746 -3.561 4.195) 6.149 10.390 ( 0.912 3.252 4.230) 5.413 10.488 ( 7.199 4.421 4.209) 9.439 11.079 ( -11.450 1.627 6.643) 13.337 11.177 ( 0.198 -6.851 1.536) 7.024 11.464 ( 7.911 -4.398 1.135) 9.122 11.570 ( 0.256 -0.248 -2.219) 2.248 11.612 ( 1.737 9.517 1.686) 9.820 11.947 ( -2.952 -3.411 5.236) 6.912 12.072 ( 2.336 2.989 4.347) 5.770 13.899 ( 6.840 4.079 -8.247) 11.465 15.224 ( -13.031 -8.185 0.998) 15.421 15.348 ( -5.047 -1.371 5.226) 7.393 15.432 ( -0.266 -5.003 2.104) 5.434 15.689 ( 3.355 11.313 -0.086) 11.800 15.755 ( 10.661 0.834 -6.794) 12.669 16.971 ( 3.236 0.591 4.890) 5.894 17.264 ( -1.797 0.162 3.389) 3.840 ======================= Grid point 59 (25/60) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 3.917 6.113 15.369) 16.998 1.820 ( 10.756 0.033 13.722) 17.435 2.123 ( -17.044 -9.219 -1.013) 19.404 2.596 ( -11.917 -8.895 5.357) 15.806 2.798 ( -0.001 -5.582 -13.546) 14.650 2.893 ( -4.416 -5.572 1.646) 7.298 3.203 ( 3.246 4.875 10.680) 12.181 3.283 ( -8.482 6.742 -0.752) 10.861 3.531 ( 6.896 0.852 -3.707) 7.875 3.657 ( 3.368 4.200 5.634) 7.793 3.857 ( 4.639 6.010 10.230) 12.739 4.001 ( 3.924 6.322 7.032) 10.238 4.093 ( 1.667 -5.775 -3.379) 6.895 4.334 ( -5.559 -6.057 -6.637) 10.566 4.746 ( 0.125 4.294 -5.477) 6.961 4.954 ( -10.033 -13.823 -0.181) 17.082 5.563 ( 0.410 -2.667 -1.447) 3.062 5.738 ( -7.315 3.807 -7.751) 11.317 6.412 ( -3.081 -1.463 -5.916) 6.828 6.556 ( -1.060 -0.018 2.939) 3.125 6.581 ( 2.244 -3.136 -3.716) 5.355 6.773 ( 3.241 3.313 -3.483) 5.797 7.044 ( 3.841 -0.174 -0.172) 3.849 7.105 ( 1.858 2.873 -6.738) 7.557 7.176 ( 2.736 1.458 -4.235) 5.249 7.263 ( -0.073 8.954 4.633) 10.081 7.525 ( 10.266 4.050 -10.295) 15.093 7.580 ( 9.597 -0.656 -0.219) 9.622 7.661 ( 4.420 1.115 0.975) 4.661 7.948 ( -4.318 -6.165 -0.838) 7.574 8.144 ( -1.991 2.637 -4.007) 5.194 8.689 ( -2.892 -3.837 -3.370) 5.869 8.704 ( -5.811 0.105 -7.259) 9.299 8.768 ( -3.639 1.726 -1.284) 4.227 8.898 ( 0.201 2.227 -1.809) 2.876 9.034 ( 1.654 -2.926 1.241) 3.583 9.286 ( 5.236 4.953 -3.705) 8.103 9.531 ( 0.726 -5.581 -1.278) 5.771 9.597 ( 0.226 -3.479 2.808) 4.477 9.812 ( 1.385 2.131 4.746) 5.384 9.916 ( 1.373 2.266 2.649) 3.746 10.192 ( -3.932 -5.443 -1.789) 6.949 10.233 ( -3.753 -1.801 1.701) 4.497 10.487 ( -4.183 7.346 5.604) 10.143 10.683 ( 9.230 2.260 3.756) 10.218 11.027 ( -7.541 -1.581 5.454) 9.440 11.149 ( 2.141 -0.839 -2.092) 3.108 11.463 ( 0.572 -0.378 -3.394) 3.462 11.554 ( 1.446 -3.562 1.163) 4.017 11.759 ( 1.418 4.742 0.806) 5.015 11.952 ( -3.375 -4.310 8.666) 10.250 12.173 ( 0.443 1.944 4.672) 5.080 13.981 ( 11.335 7.088 -6.203) 14.738 14.996 ( -10.724 -8.377 3.544) 14.062 15.285 ( -4.667 -4.160 0.337) 6.261 15.406 ( -5.104 2.561 0.359) 5.722 15.661 ( 4.973 -1.014 -11.558) 12.624 16.003 ( 8.020 6.721 8.907) 13.742 17.026 ( 0.066 -2.060 0.093) 2.063 17.298 ( -1.083 0.981 4.769) 4.987 ======================= Grid point 60 (26/60) ======================= q-point: (-0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -18.585 -8.337 -4.245) 20.807 1.839 ( -10.963 -10.433 2.434) 15.328 2.139 ( 3.902 1.878 12.269) 13.011 2.401 ( -4.932 -2.743 -9.092) 10.701 2.643 ( 1.668 -5.636 7.674) 9.666 2.926 ( 4.839 3.077 1.218) 5.863 3.211 ( -6.510 4.295 2.667) 8.243 3.315 ( 1.585 -2.784 -1.075) 3.379 3.508 ( -7.775 1.377 -9.365) 12.250 3.721 ( 4.755 7.559 2.540) 9.285 3.817 ( -24.411 -17.753 -9.762) 31.723 4.016 ( 1.910 -3.516 -4.795) 6.245 4.061 ( -0.035 7.378 6.015) 9.519 4.521 ( 15.737 6.293 21.405) 27.302 4.699 ( 2.044 -5.932 -3.125) 7.010 4.885 ( 4.882 3.230 2.325) 6.299 5.517 ( -6.089 -1.763 -4.607) 7.836 5.725 ( 9.900 6.410 -0.296) 11.798 6.290 ( -0.968 -1.192 -5.311) 5.528 6.539 ( -1.351 -0.264 -1.454) 2.003 6.611 ( 4.495 0.749 -0.052) 4.557 6.804 ( 3.856 1.340 -2.335) 4.703 7.089 ( 4.705 -0.283 -4.813) 6.737 7.095 ( 1.433 0.679 0.218) 1.600 7.181 ( 0.059 4.564 -1.773) 4.896 7.340 ( -4.987 5.728 1.396) 7.722 7.596 ( 7.417 5.613 -3.720) 10.018 7.702 ( 1.557 -2.374 -1.124) 3.053 7.768 ( 13.469 4.023 0.159) 14.058 7.871 ( 0.969 -4.707 1.619) 5.071 8.086 ( -0.609 2.407 -5.233) 5.793 8.540 ( -6.242 -0.443 -2.863) 6.882 8.578 ( -1.932 0.672 -5.028) 5.428 8.767 ( 1.651 -0.522 0.684) 1.861 8.939 ( 4.418 4.867 -0.666) 6.607 9.068 ( 4.155 -0.646 0.768) 4.275 9.375 ( 5.277 5.664 -1.974) 7.989 9.484 ( -1.479 -2.750 -0.136) 3.125 9.614 ( 2.057 -5.125 1.868) 5.830 9.871 ( -1.948 -4.003 4.936) 6.647 9.943 ( -1.730 -3.299 0.426) 3.750 10.085 ( -2.261 4.873 -3.117) 6.211 10.171 ( -4.476 -2.277 1.151) 5.152 10.501 ( -7.306 2.840 3.518) 8.592 10.858 ( 7.242 -1.463 2.030) 7.662 10.925 ( -8.249 -3.075 0.373) 8.811 11.187 ( 4.518 3.040 -2.474) 5.981 11.428 ( -2.684 4.192 -1.652) 5.245 11.584 ( 1.906 -3.775 3.547) 5.519 11.723 ( -3.547 -1.517 -2.799) 4.766 11.981 ( -2.814 -4.504 7.019) 8.802 12.214 ( -3.148 -0.853 3.425) 4.730 14.195 ( 15.942 9.758 -2.333) 18.837 14.890 ( -7.644 -5.706 9.403) 13.394 15.169 ( -0.298 -4.754 -6.575) 8.119 15.333 ( -9.412 9.108 -2.460) 13.326 15.563 ( 2.520 -8.912 -5.318) 10.680 16.253 ( 4.738 4.521 7.226) 9.752 16.971 ( -1.365 -1.324 -3.106) 3.642 17.338 ( -2.369 -1.452 4.484) 5.276 ======================= Grid point 61 (27/60) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -20.964 -10.275 -0.451) 23.351 1.463 ( -21.290 -18.064 -1.060) 27.941 2.198 ( 1.525 -0.159 -8.239) 8.380 2.363 ( -2.044 1.970 10.355) 10.737 2.737 ( -23.016 -11.719 13.124) 28.971 2.885 ( -15.019 -9.170 -8.419) 19.507 3.097 ( 8.172 0.284 0.505) 8.193 3.256 ( 2.860 5.597 1.610) 6.488 3.405 ( 4.747 3.989 1.610) 6.406 3.448 ( -4.940 -2.232 -8.730) 10.276 3.881 ( 3.997 -0.949 0.247) 4.116 3.948 ( 7.412 3.464 -6.366) 10.367 4.249 ( 0.152 9.822 8.990) 13.316 4.523 ( -2.964 -10.303 -1.378) 10.809 4.965 ( 0.641 0.362 -4.988) 5.042 5.102 ( 15.223 9.581 11.428) 21.310 5.449 ( 5.353 2.225 -1.256) 5.931 5.905 ( 8.926 6.444 -3.143) 11.449 6.255 ( 2.939 0.460 -1.657) 3.405 6.501 ( -0.996 0.758 -0.815) 1.494 6.705 ( 5.359 3.098 0.206) 6.193 6.843 ( 3.276 -1.571 0.072) 3.634 7.068 ( 3.013 -0.205 -5.461) 6.240 7.120 ( -2.472 0.511 1.620) 3.000 7.184 ( -3.738 3.657 -1.824) 5.538 7.261 ( -4.323 -0.637 -1.474) 4.611 7.658 ( -0.836 -1.116 -1.304) 1.909 7.770 ( 7.620 5.511 3.774) 10.133 7.853 ( -0.114 -3.197 1.564) 3.561 8.007 ( 9.690 -2.699 -4.590) 11.057 8.099 ( 8.781 11.636 -1.205) 14.627 8.453 ( -2.579 -2.081 0.585) 3.366 8.544 ( 1.484 3.013 -0.649) 3.421 8.817 ( 2.320 0.450 2.317) 3.310 9.059 ( 7.935 6.612 -4.498) 11.266 9.189 ( 5.806 2.029 6.226) 8.751 9.429 ( -3.609 -0.221 2.225) 4.246 9.456 ( 1.571 4.520 -4.923) 6.866 9.596 ( 1.268 -4.720 -2.385) 5.438 9.792 ( -3.517 -2.820 -6.402) 7.830 9.896 ( 0.584 -9.300 7.728) 12.106 10.088 ( -3.687 3.356 0.075) 4.986 10.138 ( -1.383 1.314 2.580) 3.209 10.429 ( -7.266 -1.473 1.396) 7.544 10.702 ( -9.734 -6.259 -4.812) 12.533 10.967 ( 2.850 -0.703 1.655) 3.370 11.222 ( -0.206 1.664 -0.191) 1.688 11.387 ( -4.439 1.812 -4.090) 6.302 11.564 ( 1.359 -3.352 -1.631) 3.968 11.704 ( 0.769 0.777 3.016) 3.208 11.966 ( -3.465 -3.347 3.629) 6.031 12.153 ( -6.582 -3.194 1.433) 7.456 14.526 ( 19.173 10.393 0.506) 21.815 14.827 ( -9.461 -5.203 1.377) 10.885 15.097 ( 6.088 -2.538 -2.317) 6.991 15.248 ( -9.003 10.906 -2.202) 14.312 15.475 ( -0.112 -10.128 2.012) 10.326 16.359 ( -1.296 -0.433 2.391) 2.754 16.927 ( 0.635 0.736 -2.101) 2.315 17.308 ( -5.026 -2.963 2.342) 6.287 ======================= Grid point 62 (28/60) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -17.792 -12.591 9.774) 23.888 1.006 ( -21.917 -18.132 6.014) 29.074 2.032 ( -46.009 -23.339 14.982) 53.722 2.167 ( 2.945 3.630 -3.384) 5.770 2.488 ( -2.206 -2.425 13.607) 13.997 2.830 ( -2.861 -2.730 0.989) 4.076 3.143 ( -0.546 3.763 -9.784) 10.497 3.332 ( 11.370 2.329 -4.300) 12.377 3.484 ( 7.351 3.926 4.591) 9.514 3.562 ( 4.447 7.823 1.958) 9.209 3.856 ( 5.535 -2.617 -7.429) 9.626 4.101 ( 9.357 3.811 -0.444) 10.113 4.333 ( -10.817 -1.747 0.816) 10.987 4.438 ( 3.033 3.051 1.510) 4.559 4.820 ( -3.747 -5.535 -6.488) 9.315 5.407 ( 9.815 4.923 -1.153) 11.041 5.625 ( 11.126 6.603 1.376) 13.011 6.029 ( 6.522 10.168 -4.703) 12.963 6.309 ( 2.548 -0.775 1.497) 3.055 6.525 ( 2.694 3.218 0.735) 4.261 6.778 ( 2.093 2.177 -2.267) 3.776 6.891 ( 4.040 -2.116 2.934) 5.423 7.003 ( -3.277 -4.754 -3.453) 6.727 7.081 ( -4.454 0.414 0.290) 4.483 7.110 ( 0.417 3.951 -3.141) 5.065 7.224 ( -2.418 -3.629 2.318) 4.939 7.616 ( -1.374 -1.923 -0.805) 2.497 7.799 ( -4.211 0.152 -2.278) 4.790 7.979 ( 10.343 1.885 0.587) 10.530 8.048 ( 5.945 1.861 -2.256) 6.625 8.310 ( 5.496 8.370 -1.007) 10.063 8.453 ( -0.192 -0.449 4.337) 4.364 8.604 ( 2.569 -0.783 -6.786) 7.298 8.919 ( 3.868 2.002 9.664) 10.600 9.149 ( 8.598 4.139 -8.486) 12.770 9.276 ( -7.114 -4.498 -9.560) 12.737 9.344 ( -1.884 5.913 0.139) 6.207 9.458 ( 4.093 -2.125 4.880) 6.714 9.559 ( 2.796 0.560 -4.372) 5.219 9.678 ( -0.183 0.027 -2.458) 2.465 10.000 ( 0.232 -2.512 10.893) 11.181 10.077 ( -1.871 2.435 2.184) 3.768 10.160 ( 1.583 -2.583 2.755) 4.095 10.326 ( -3.227 -7.375 1.415) 8.173 10.436 ( -12.492 -4.268 -3.471) 13.650 10.964 ( -3.025 1.502 -1.635) 3.752 11.228 ( -3.739 -3.118 2.568) 5.504 11.266 ( 0.368 -1.038 -2.827) 3.034 11.586 ( 3.043 3.400 -2.908) 5.410 11.742 ( 0.093 -1.840 1.871) 2.626 11.924 ( -3.086 -1.532 -0.076) 3.446 12.042 ( -7.005 -2.116 2.147) 7.626 14.550 ( -9.077 -5.329 -14.567) 17.972 14.904 ( 17.486 7.804 2.612) 19.326 15.190 ( 0.432 2.188 3.389) 4.057 15.236 ( 2.000 4.199 1.563) 4.907 15.456 ( -2.266 -3.913 7.185) 8.490 16.291 ( -4.648 -3.414 -2.570) 6.314 16.922 ( -1.782 -2.186 1.696) 3.290 17.221 ( -4.894 0.027 -1.552) 5.135 ======================= Grid point 65 (29/60) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 3.043 2.445 19.678) 20.061 1.669 ( -3.980 8.017 18.324) 20.393 2.539 ( 4.413 -9.623 -0.229) 10.589 2.601 ( -6.052 -7.409 1.830) 9.740 2.909 ( -0.473 6.685 1.816) 6.943 2.963 ( -2.695 -1.990 6.447) 7.265 3.175 ( 7.439 -8.189 2.473) 11.337 3.366 ( -5.043 -2.005 5.623) 7.815 3.468 ( 4.573 2.369 -4.786) 7.031 3.541 ( -1.431 -5.049 3.716) 6.430 3.706 ( 0.559 -2.986 1.474) 3.377 3.935 ( 1.511 13.262 9.409) 16.331 4.242 ( 4.561 -2.056 -4.348) 6.629 4.335 ( -8.769 0.710 -5.066) 10.152 4.575 ( 1.539 8.175 -3.296) 8.948 5.310 ( 0.209 -7.706 -2.689) 8.164 5.617 ( -2.782 -10.509 -8.909) 14.055 5.829 ( 3.865 1.907 -9.883) 10.782 6.406 ( -0.938 -0.542 1.312) 1.701 6.593 ( -1.136 -5.818 -1.283) 6.065 6.647 ( 1.756 -0.547 -5.985) 6.261 6.698 ( -0.143 -2.237 -2.484) 3.345 6.947 ( 0.753 -4.183 -6.539) 7.799 6.994 ( -1.707 1.108 -0.966) 2.252 7.149 ( 2.227 7.686 -6.570) 10.354 7.182 ( 1.197 8.725 -2.686) 9.207 7.323 ( -1.192 -2.894 -4.202) 5.240 7.538 ( -4.400 8.049 1.186) 9.249 7.567 ( 2.047 5.569 -0.089) 5.934 8.088 ( -3.050 -4.966 -1.904) 6.130 8.134 ( 3.103 -0.866 -3.645) 4.865 8.678 ( -0.994 0.202 -6.644) 6.721 8.755 ( 1.436 -4.651 -7.322) 8.792 8.811 ( 2.338 -1.602 -4.685) 5.475 8.980 ( 3.396 -5.800 1.528) 6.892 9.047 ( -7.737 -2.159 -3.191) 8.644 9.158 ( 3.683 4.654 -2.037) 6.275 9.568 ( -3.438 -4.275 0.240) 5.492 9.634 ( -0.775 -2.050 -1.176) 2.488 9.754 ( 0.582 3.684 5.905) 6.984 9.875 ( 1.399 11.162 1.919) 11.412 10.294 ( 0.183 -2.521 2.495) 3.552 10.322 ( -5.602 -4.545 3.142) 7.868 10.445 ( 6.733 3.016 3.659) 8.235 10.526 ( -0.081 4.226 6.177) 7.485 11.114 ( 0.803 -7.565 4.049) 8.618 11.276 ( 6.729 -2.196 -1.039) 7.155 11.392 ( -13.253 -5.380 2.819) 14.579 11.530 ( 2.298 2.278 -2.959) 4.385 11.690 ( 2.781 8.803 5.035) 10.516 12.042 ( -1.585 -1.503 7.167) 7.492 12.137 ( 1.513 3.721 5.610) 6.899 13.801 ( 0.123 7.233 -6.991) 10.060 15.282 ( -6.234 -7.752 -7.366) 12.379 15.345 ( 6.847 -7.532 0.917) 10.220 15.393 ( -0.010 -12.632 5.956) 13.966 15.634 ( -1.458 12.696 -5.370) 13.862 15.808 ( 0.908 10.759 6.631) 12.671 17.029 ( -0.775 0.731 3.603) 3.757 17.311 ( 0.663 -0.011 3.906) 3.962 ======================= Grid point 66 (30/60) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 1.009 0.585 11.217) 11.278 1.898 ( 3.078 7.085 13.419) 15.484 2.278 ( -14.114 -6.537 -2.822) 15.808 2.573 ( -1.092 -7.887 -5.418) 9.631 2.694 ( -6.977 -8.650 0.574) 11.129 2.951 ( -6.542 -2.244 -2.081) 7.223 3.234 ( 7.353 -10.583 1.415) 12.964 3.374 ( 0.398 6.231 -2.759) 6.826 3.456 ( -1.077 -0.073 0.298) 1.119 3.670 ( 5.276 -4.331 -1.108) 6.915 3.885 ( 13.221 -0.841 13.032) 18.583 4.053 ( -9.260 2.913 0.195) 9.710 4.202 ( -1.655 11.739 9.584) 15.244 4.291 ( 0.198 3.140 -2.809) 4.218 4.655 ( 2.992 1.766 -1.597) 3.823 5.104 ( -15.841 -5.647 0.130) 16.818 5.457 ( 4.639 -5.533 -3.431) 7.994 5.720 ( -3.317 1.634 -9.751) 10.429 6.347 ( -1.129 -4.631 -5.011) 6.916 6.533 ( -1.211 -0.822 -0.286) 1.491 6.591 ( -0.268 -0.602 0.950) 1.156 6.706 ( 2.876 -0.730 -2.057) 3.610 6.877 ( 6.398 -2.266 -8.623) 10.974 7.012 ( 2.751 1.711 -1.929) 3.771 7.123 ( 3.556 10.455 -7.049) 13.101 7.287 ( 7.889 -5.363 -2.096) 9.767 7.358 ( 5.661 7.893 2.754) 10.096 7.549 ( -2.554 4.702 1.154) 5.474 7.672 ( 2.797 6.544 1.678) 7.311 7.953 ( -5.039 -6.543 -1.786) 8.450 8.096 ( 0.335 0.689 -6.046) 6.094 8.573 ( 0.728 -4.150 -6.626) 7.852 8.687 ( -0.695 -0.954 -5.068) 5.203 8.745 ( 4.991 1.340 -7.051) 8.742 8.883 ( -5.749 -0.126 -3.781) 6.882 8.998 ( 1.762 -5.345 2.646) 6.219 9.230 ( 4.450 2.134 -0.466) 4.957 9.504 ( -2.743 -0.646 0.572) 2.876 9.583 ( -0.053 -2.388 -1.893) 3.048 9.863 ( -0.107 3.150 4.770) 5.718 10.010 ( -0.465 6.981 3.542) 7.842 10.205 ( -4.601 -2.925 -1.953) 5.791 10.289 ( -3.100 -3.542 3.203) 5.693 10.630 ( 3.109 4.794 5.111) 7.666 10.648 ( 3.938 1.375 3.842) 5.671 11.080 ( -0.475 -2.692 -2.176) 3.493 11.196 ( -9.060 -6.873 2.746) 11.699 11.345 ( 5.142 -1.411 0.575) 5.363 11.562 ( 2.029 2.263 -0.625) 3.103 11.807 ( -1.677 2.869 2.261) 4.019 12.083 ( -3.394 -1.501 7.374) 8.255 12.260 ( 0.177 2.993 5.804) 6.533 13.847 ( 6.902 9.481 -4.548) 12.578 15.052 ( -3.875 -5.340 -5.851) 8.818 15.277 ( -5.219 -13.335 4.394) 14.979 15.404 ( 5.264 -6.863 -1.500) 8.778 15.628 ( -6.918 11.699 -2.109) 13.754 16.041 ( 7.342 8.441 5.663) 12.538 17.024 ( -1.666 -3.744 0.495) 4.128 17.380 ( -0.295 2.009 4.514) 4.950 ======================= Grid point 67 (31/60) ======================= q-point: (-0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -15.052 -5.958 -4.264) 16.741 1.955 ( -10.627 -9.115 4.975) 14.858 2.250 ( -5.424 5.338 1.457) 7.748 2.343 ( 1.893 0.096 -0.064) 1.896 2.733 ( -1.426 -1.059 10.443) 10.593 2.827 ( 3.746 -3.592 -4.152) 6.646 3.225 ( 3.294 -9.949 -0.953) 10.523 3.346 ( -2.192 0.706 0.892) 2.470 3.500 ( -1.615 3.600 -5.239) 6.559 3.639 ( 11.253 -4.867 -6.302) 13.785 3.850 ( -7.646 -0.691 -2.542) 8.087 4.093 ( -23.619 -3.654 -0.132) 23.900 4.254 ( -0.014 7.932 8.905) 11.925 4.469 ( 13.628 -7.555 2.713) 15.816 4.648 ( -0.671 3.102 6.407) 7.150 4.978 ( -2.491 8.800 3.899) 9.942 5.515 ( -5.026 -1.039 -6.143) 8.005 5.580 ( 11.059 0.653 -2.993) 11.476 6.233 ( -0.881 -2.665 -3.864) 4.776 6.528 ( -0.316 -0.268 0.515) 0.661 6.611 ( -0.415 3.041 1.096) 3.259 6.734 ( 4.556 0.938 -0.704) 4.704 6.880 ( 9.185 -0.537 -6.981) 11.549 7.065 ( 5.481 1.460 -1.008) 5.761 7.214 ( 2.091 5.407 0.338) 5.807 7.316 ( 4.809 -1.460 -4.348) 6.646 7.549 ( 8.747 4.652 -3.243) 10.425 7.582 ( 2.567 2.767 3.206) 4.953 7.749 ( -1.038 2.525 1.513) 3.121 7.861 ( 0.661 -2.953 2.305) 3.803 8.021 ( -0.137 1.772 -6.756) 6.986 8.500 ( 2.066 -0.998 -4.101) 4.700 8.580 ( -4.060 -2.347 -1.694) 4.986 8.801 ( 1.375 5.638 -1.241) 5.934 8.828 ( 5.691 1.621 -3.401) 6.825 9.030 ( 3.552 -5.157 4.619) 7.781 9.313 ( 6.005 2.488 -1.457) 6.661 9.489 ( -0.831 2.943 -1.104) 3.251 9.557 ( 1.388 -1.318 -1.189) 2.253 9.901 ( -2.713 0.035 0.382) 2.740 9.969 ( -6.173 -7.267 1.662) 9.678 10.181 ( -1.687 9.678 -1.378) 9.920 10.239 ( -4.849 -3.347 2.974) 6.600 10.602 ( -5.474 -4.096 -1.767) 7.062 10.784 ( 4.526 -2.965 3.317) 6.347 11.034 ( -3.984 -3.597 1.356) 5.536 11.114 ( 0.399 6.942 -3.183) 7.647 11.412 ( 4.100 -0.489 0.392) 4.148 11.620 ( 2.128 -1.508 4.259) 4.995 11.734 ( -7.595 -0.900 -3.334) 8.343 12.099 ( -4.522 -1.194 5.678) 7.356 12.308 ( -3.709 -0.819 3.832) 5.396 14.041 ( 12.992 10.580 -1.174) 16.796 14.945 ( 3.454 -3.588 -6.234) 7.980 15.126 ( -10.331 -5.957 2.904) 12.274 15.391 ( 4.945 -11.319 1.112) 12.402 15.575 ( -11.511 10.335 0.830) 15.492 16.260 ( 7.495 4.435 2.105) 8.959 16.953 ( -2.431 -3.524 -0.882) 4.371 17.427 ( -2.429 0.309 3.771) 4.496 ======================= Grid point 68 (32/60) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -19.228 -5.344 2.092) 20.066 1.670 ( -22.256 -11.003 5.305) 25.388 2.124 ( -1.270 3.143 -7.865) 8.565 2.534 ( 1.597 3.877 9.119) 10.037 2.744 ( 4.442 -6.481 -2.471) 8.236 2.959 ( 6.091 3.466 0.162) 7.010 3.122 ( -2.381 -9.992 -3.044) 10.713 3.332 ( -5.369 -3.559 2.674) 6.974 3.442 ( 0.990 3.519 2.159) 4.246 3.542 ( -29.905 0.415 5.641) 30.435 3.724 ( 7.354 2.245 -9.405) 12.148 3.868 ( 1.992 -2.342 1.762) 3.544 4.330 ( 1.915 -5.016 -0.074) 5.370 4.527 ( -0.736 0.496 6.484) 6.545 4.817 ( 7.674 2.778 -5.512) 9.848 5.123 ( 3.374 4.318 0.316) 5.489 5.393 ( 2.558 2.641 -2.021) 4.196 5.742 ( 13.062 1.810 -2.941) 13.511 6.219 ( 2.542 1.659 0.685) 3.112 6.510 ( -1.286 -0.758 0.113) 1.497 6.692 ( 2.625 7.074 0.674) 7.575 6.796 ( 2.963 -1.199 0.935) 3.330 6.945 ( 6.827 3.734 -3.688) 8.611 7.122 ( 2.577 0.059 -3.355) 4.230 7.221 ( -3.163 0.625 -2.645) 4.170 7.269 ( -1.415 -3.917 1.306) 4.365 7.611 ( 6.141 -0.260 -1.511) 6.329 7.721 ( 4.259 4.628 -2.032) 6.609 7.840 ( 6.819 -0.959 4.342) 8.141 7.896 ( -0.320 2.233 0.638) 2.344 8.010 ( 7.212 5.789 -3.450) 9.871 8.502 ( -2.141 -2.373 1.626) 3.586 8.514 ( 0.970 0.701 0.469) 1.286 8.879 ( 0.946 3.117 6.046) 6.867 8.906 ( 8.467 2.869 -6.169) 10.861 9.148 ( 8.279 -2.958 4.767) 10.001 9.392 ( 4.849 4.915 -4.802) 8.410 9.462 ( -1.562 2.554 -5.678) 6.419 9.561 ( -1.290 0.968 0.888) 1.841 9.757 ( -7.055 -3.904 -2.584) 8.467 9.929 ( -0.450 -4.081 5.211) 6.634 10.176 ( -2.410 -0.269 -1.015) 2.629 10.199 ( -3.712 3.107 0.702) 4.891 10.442 ( -4.633 -9.189 -0.940) 10.334 10.775 ( -5.916 -2.119 -0.614) 6.314 10.975 ( -2.249 2.614 0.325) 3.464 11.188 ( 4.871 3.069 -0.778) 5.810 11.467 ( 4.227 -4.419 -0.510) 6.137 11.503 ( -13.001 2.935 -3.777) 13.853 11.705 ( 2.841 -3.235 2.937) 5.212 12.074 ( -5.756 0.268 2.529) 6.293 12.246 ( -6.428 -4.127 2.372) 7.999 14.344 ( 16.870 8.841 0.838) 19.064 14.820 ( -4.082 -1.582 -12.580) 13.319 15.039 ( 0.377 -5.149 4.441) 6.810 15.393 ( -0.077 -4.403 2.097) 4.878 15.530 ( -8.842 5.170 7.893) 12.931 16.347 ( 2.522 -1.378 -2.562) 3.850 16.909 ( -0.066 0.091 -0.141) 0.180 17.402 ( -5.403 -1.684 2.155) 6.056 ======================= Grid point 69 (33/60) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -19.254 -3.520 13.521) 23.789 1.364 ( -23.537 -4.863 11.544) 26.663 2.095 ( 5.506 0.515 -2.830) 6.212 2.559 ( -13.589 -8.962 -1.897) 16.388 2.693 ( -2.576 -1.571 14.803) 15.107 2.907 ( -0.902 0.203 -3.592) 3.710 3.086 ( -18.956 -0.971 3.434) 19.289 3.167 ( 7.068 -0.655 -0.324) 7.106 3.455 ( 1.993 2.756 1.042) 3.557 3.593 ( 4.681 2.202 6.711) 8.473 3.715 ( 1.682 5.726 -7.863) 9.871 3.967 ( 8.982 -1.356 0.137) 9.084 4.300 ( 3.941 -8.021 -1.405) 9.046 4.561 ( -9.110 2.587 2.336) 9.754 4.750 ( 0.171 4.946 -9.647) 10.842 5.191 ( 12.966 -7.756 -4.369) 15.727 5.498 ( 9.361 3.018 -3.280) 10.368 5.944 ( 12.336 7.047 -1.464) 14.282 6.312 ( 1.543 2.754 3.569) 4.765 6.494 ( 1.776 0.442 -1.738) 2.524 6.728 ( 0.477 0.823 -4.499) 4.599 6.868 ( 3.934 1.239 2.799) 4.985 6.983 ( -2.251 -0.008 -1.846) 2.911 7.106 ( 1.452 6.650 -2.122) 7.129 7.133 ( -2.678 1.055 -1.407) 3.204 7.272 ( -1.814 -4.900 4.997) 7.230 7.614 ( -3.170 0.755 -2.886) 4.353 7.743 ( 5.447 -2.387 -5.338) 7.991 7.878 ( -1.505 3.117 -1.821) 3.911 7.987 ( 5.581 1.295 0.023) 5.730 8.206 ( 11.810 5.011 -2.413) 13.055 8.515 ( -0.402 0.523 4.347) 4.397 8.544 ( 1.516 -3.834 3.902) 5.677 8.943 ( 6.800 -0.973 -6.870) 9.715 8.991 ( 3.136 -0.161 3.198) 4.482 9.213 ( -2.269 3.210 -5.343) 6.633 9.372 ( 0.476 3.957 -8.390) 9.289 9.417 ( -0.258 -1.477 4.362) 4.613 9.570 ( 0.587 2.440 0.281) 2.526 9.675 ( -0.845 2.123 1.147) 2.557 9.970 ( 2.324 -7.011 0.569) 7.408 10.147 ( -0.148 0.921 1.077) 1.425 10.194 ( -1.437 -1.729 5.213) 5.677 10.334 ( -3.094 -5.200 3.924) 7.212 10.611 ( -13.189 1.950 -1.447) 13.411 10.999 ( 1.779 0.946 0.177) 2.022 11.213 ( -4.850 -4.677 -2.428) 7.162 11.306 ( -1.842 5.798 -1.159) 6.193 11.556 ( 3.784 4.083 0.146) 5.568 11.722 ( 0.196 -5.532 2.874) 6.237 11.985 ( -6.520 -2.369 -1.311) 7.060 12.156 ( -6.128 -2.380 3.099) 7.268 14.467 ( -7.171 -2.359 -11.984) 14.163 14.743 ( 15.004 6.077 1.104) 16.225 15.096 ( 7.024 -4.897 1.316) 8.663 15.358 ( -4.455 2.715 0.557) 5.247 15.615 ( -4.275 1.845 13.196) 13.994 16.255 ( -2.595 -4.243 -7.316) 8.847 16.936 ( 1.158 0.527 1.229) 1.769 17.310 ( -7.023 -1.535 0.765) 7.230 ======================= Grid point 72 (34/60) ======================= q-point: ( 0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -0.730 2.578 14.722) 14.963 1.956 ( -2.588 2.354 6.367) 7.264 2.310 ( 13.279 -1.512 4.527) 14.111 2.585 ( -2.454 -4.489 -10.157) 11.373 2.834 ( 13.473 -5.359 1.151) 14.545 2.960 ( -1.872 -5.945 0.034) 6.233 3.165 ( -5.011 -5.536 -3.396) 8.203 3.228 ( 2.651 -2.650 -2.836) 4.701 3.492 ( 2.532 -2.679 1.099) 3.846 3.612 ( -1.313 -1.482 5.358) 5.712 3.767 ( -10.112 -7.910 5.962) 14.155 4.157 ( 3.997 5.733 -0.203) 6.992 4.268 ( -1.747 17.057 18.919) 25.533 4.346 ( -1.075 2.635 -5.182) 5.912 4.589 ( 0.938 -0.751 -5.994) 6.113 5.168 ( 9.177 -0.130 1.628) 9.321 5.462 ( -3.427 -8.157 -6.974) 11.266 5.663 ( 5.713 -0.569 -5.612) 8.029 6.346 ( 1.483 -4.717 -4.988) 7.024 6.544 ( -0.244 -2.758 -2.206) 3.540 6.589 ( 0.741 0.547 0.079) 0.925 6.717 ( -3.539 4.720 -1.389) 6.061 6.862 ( -7.230 -2.867 -6.882) 10.385 7.061 ( 0.366 5.783 -8.078) 9.941 7.096 ( -5.604 -0.357 -1.299) 5.764 7.202 ( -2.770 -2.991 2.707) 4.894 7.357 ( -5.962 6.305 -2.193) 8.951 7.592 ( -0.180 4.636 -0.599) 4.678 7.687 ( -3.381 7.787 0.896) 8.537 8.022 ( 3.671 -0.944 -2.182) 4.374 8.050 ( -0.292 -2.474 -3.857) 4.592 8.566 ( 1.885 -8.397 -6.995) 11.091 8.635 ( -1.716 -1.464 -6.114) 6.517 8.695 ( -0.722 1.906 -6.347) 6.667 8.894 ( 3.337 -1.945 -1.050) 4.002 9.094 ( -2.025 -5.245 1.534) 5.828 9.158 ( -3.285 5.433 -2.062) 6.675 9.559 ( 1.348 0.664 -3.144) 3.484 9.653 ( -3.701 0.075 1.723) 4.083 9.865 ( -0.458 1.074 6.076) 6.187 9.980 ( 1.473 11.401 3.102) 11.907 10.230 ( 4.329 -5.052 -3.880) 7.701 10.334 ( 7.231 -2.599 2.485) 8.075 10.447 ( -2.017 -3.008 6.599) 7.527 10.683 ( -6.029 3.676 5.343) 8.854 11.113 ( -0.194 -0.912 -3.041) 3.181 11.130 ( 6.247 -7.343 4.576) 10.671 11.456 ( 2.575 1.786 -1.880) 3.654 11.525 ( -6.579 -1.508 -2.627) 7.243 11.794 ( 2.159 3.027 5.325) 6.495 12.142 ( 2.205 1.779 8.840) 9.283 12.213 ( 0.286 0.969 4.587) 4.697 13.842 ( -6.691 9.065 -4.317) 12.066 15.121 ( 3.680 -1.690 -6.344) 7.526 15.232 ( -0.198 -11.085 -3.049) 11.498 15.316 ( 4.904 -11.002 3.476) 12.537 15.709 ( 1.727 11.023 -0.346) 11.162 16.025 ( -6.722 7.498 7.054) 12.295 17.033 ( 1.373 -3.403 -0.926) 3.784 17.371 ( 0.494 1.759 5.299) 5.605 ======================= Grid point 73 (35/60) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 0.944 -3.705 -3.068) 4.902 2.052 ( 0.108 2.113 12.866) 13.039 2.391 ( -6.299 1.385 -6.964) 9.491 2.535 ( 2.206 6.675 5.035) 8.647 2.796 ( -12.684 -3.807 2.285) 13.439 2.939 ( -3.377 -3.762 -8.267) 9.691 2.971 ( 12.907 -15.670 2.581) 20.465 3.256 ( 14.164 -9.547 -6.862) 18.408 3.387 ( -3.709 -3.741 -2.820) 5.975 3.615 ( -7.791 -8.044 3.107) 11.622 3.905 ( 10.902 2.947 13.494) 17.596 4.115 ( -8.381 -3.420 -6.381) 11.075 4.329 ( 4.972 9.132 1.641) 10.526 4.508 ( -7.134 13.498 4.481) 15.912 4.700 ( 1.760 7.647 6.687) 10.309 5.214 ( -1.460 -2.181 1.080) 2.838 5.294 ( 1.120 -9.256 -3.969) 10.133 5.649 ( 0.553 4.398 -8.137) 9.266 6.250 ( -0.135 -5.933 -3.955) 7.132 6.505 ( 1.357 -4.004 -0.091) 4.229 6.597 ( 2.411 -0.323 -0.720) 2.537 6.684 ( -4.285 4.389 0.184) 6.137 6.748 ( -0.107 0.654 -3.401) 3.465 6.927 ( 0.910 0.912 -9.433) 9.521 7.108 ( 3.115 0.579 0.808) 3.270 7.173 ( -1.776 1.239 1.298) 2.524 7.419 ( 0.970 7.484 4.479) 8.776 7.636 ( 0.107 3.159 -0.127) 3.164 7.710 ( -0.402 6.293 -0.349) 6.316 7.927 ( -2.905 -6.158 -2.485) 7.248 8.039 ( -0.216 3.376 -4.073) 5.295 8.451 ( 0.892 -5.912 -4.348) 7.393 8.578 ( 5.055 2.174 -5.477) 7.764 8.628 ( 0.069 0.504 -4.690) 4.718 8.870 ( -0.635 -0.659 -4.074) 4.175 9.007 ( -2.158 -5.336 3.750) 6.870 9.204 ( 1.156 2.969 1.018) 3.345 9.524 ( 0.230 0.310 -4.859) 4.875 9.592 ( -5.542 3.138 0.663) 6.403 9.949 ( 0.366 2.039 3.517) 4.082 10.081 ( -0.943 -4.397 0.472) 4.522 10.199 ( 1.138 9.191 -4.214) 10.175 10.352 ( -2.472 -5.366 4.703) 7.551 10.609 ( 7.989 1.535 5.071) 9.586 10.692 ( -2.235 -1.268 2.784) 3.788 11.022 ( -0.898 -4.529 -5.098) 6.878 11.233 ( 2.699 -2.854 6.531) 7.621 11.366 ( -5.661 -2.204 -0.101) 6.076 11.510 ( 3.361 3.871 -3.957) 6.475 11.879 ( -0.488 -0.883 2.937) 3.106 12.201 ( -2.897 -0.978 5.111) 5.956 12.339 ( 2.077 2.331 4.868) 5.784 13.842 ( 0.077 10.895 -0.987) 10.940 14.921 ( -1.811 -3.835 -12.139) 12.859 15.226 ( 4.545 -11.472 4.294) 13.065 15.336 ( 0.139 -7.393 2.992) 7.977 15.796 ( -3.067 9.761 2.011) 10.427 16.105 ( -0.024 7.196 2.591) 7.648 16.995 ( 0.326 -5.570 -0.723) 5.626 17.452 ( 0.177 1.657 3.890) 4.232 ======================= Grid point 74 (36/60) ======================= q-point: (-0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -4.687 -2.160 -0.748) 5.215 2.102 ( -7.877 -5.111 2.711) 9.773 2.302 ( -1.227 0.736 -3.360) 3.652 2.452 ( -11.222 8.672 -5.577) 15.240 2.722 ( -1.124 -2.097 -0.426) 2.417 2.919 ( -1.773 1.303 12.053) 12.252 3.008 ( 9.201 -13.020 -4.102) 16.462 3.277 ( 10.775 -12.709 -4.362) 17.223 3.348 ( 3.549 0.217 1.386) 3.816 3.520 ( -1.808 0.364 0.483) 1.906 3.877 ( -4.745 -5.114 -6.602) 9.605 4.237 ( 11.307 1.629 6.269) 13.031 4.443 ( -7.897 1.831 3.407) 8.793 4.472 ( -12.401 4.725 3.962) 13.850 4.780 ( -3.168 6.063 1.325) 6.968 5.105 ( -5.678 -2.337 -0.394) 6.153 5.337 ( 13.642 -2.087 -3.086) 14.142 5.532 ( -7.265 3.649 -7.811) 11.274 6.181 ( 0.340 -1.935 -0.722) 2.093 6.531 ( 3.424 -2.696 1.753) 4.697 6.665 ( 4.871 -0.699 1.406) 5.118 6.695 ( -1.682 7.793 2.000) 8.219 6.722 ( 1.962 2.446 -2.215) 3.839 6.931 ( 8.945 1.536 -5.260) 10.490 7.153 ( 5.263 -5.852 0.766) 7.908 7.264 ( 3.211 7.943 3.008) 9.080 7.504 ( -4.450 4.046 -3.984) 7.214 7.610 ( 2.210 -0.851 2.870) 3.721 7.782 ( 1.608 2.304 -0.223) 2.819 7.861 ( 0.313 -0.630 2.517) 2.613 7.999 ( -2.245 5.531 -3.904) 7.132 8.411 ( 3.078 -1.944 -1.153) 3.819 8.594 ( -0.986 0.651 -0.137) 1.190 8.656 ( 8.420 3.556 -4.051) 9.997 8.836 ( 1.458 1.019 -0.639) 1.890 9.031 ( 0.859 -4.096 6.639) 7.848 9.258 ( 1.978 2.516 0.720) 3.281 9.461 ( 0.258 3.094 -6.324) 7.045 9.585 ( -1.994 5.491 -0.071) 5.843 9.958 ( -4.572 -5.557 -1.527) 7.356 9.983 ( -1.217 -3.062 1.740) 3.726 10.231 ( -1.269 10.841 -7.345) 13.156 10.329 ( -4.176 -4.892 5.656) 8.565 10.583 ( -4.029 -6.183 -3.662) 8.239 10.753 ( 1.912 -4.245 3.062) 5.572 10.975 ( 4.272 -0.331 0.216) 4.291 11.248 ( -6.825 5.514 -0.080) 8.774 11.356 ( 2.192 -4.465 2.289) 5.475 11.550 ( 6.766 -0.368 -1.811) 7.014 11.827 ( -7.077 -1.391 -0.519) 7.231 12.204 ( -2.811 -1.560 3.213) 4.545 12.379 ( -2.354 -2.046 1.631) 3.520 13.995 ( 6.361 10.528 2.867) 12.630 14.762 ( 2.552 -1.556 -10.106) 10.539 15.236 ( -6.740 -5.869 -1.346) 9.038 15.284 ( 4.231 -8.984 7.941) 12.715 15.832 ( -8.008 7.957 4.551) 12.172 16.186 ( 5.294 2.513 -2.762) 6.478 16.944 ( -0.930 -3.924 -0.002) 4.033 17.490 ( -1.009 -0.653 2.124) 2.440 ======================= Grid point 75 (37/60) ======================= q-point: (-0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -13.485 1.446 8.995) 16.274 1.948 ( -6.247 -7.437 0.829) 9.748 2.094 ( -15.531 1.021 -3.707) 16.000 2.426 ( 8.860 0.335 -10.297) 13.588 2.716 ( 0.282 1.543 -2.006) 2.546 2.889 ( 2.622 -9.361 -5.440) 11.140 3.052 ( -2.606 -1.770 8.176) 8.762 3.342 ( 6.047 1.325 5.138) 8.045 3.483 ( 3.371 7.850 1.724) 8.716 3.575 ( 6.049 0.424 1.825) 6.332 3.726 ( 3.068 -8.755 -5.112) 10.592 4.207 ( -32.546 0.043 11.898) 34.653 4.315 ( -6.640 -2.426 -0.962) 7.135 4.483 ( 11.198 0.521 -0.998) 11.255 4.713 ( 0.992 -7.915 -7.954) 11.265 5.107 ( -2.758 5.093 -1.495) 5.982 5.365 ( -2.201 2.920 -4.689) 5.946 5.506 ( 15.674 0.456 -2.229) 15.838 6.219 ( 2.605 3.038 1.944) 4.449 6.543 ( -2.342 -1.140 1.559) 3.036 6.734 ( 0.748 4.464 -2.976) 5.417 6.750 ( 3.075 3.451 1.649) 4.908 6.870 ( 8.189 5.031 3.228) 10.138 7.008 ( 7.019 0.931 -3.292) 7.808 7.198 ( 2.430 -2.085 0.915) 3.330 7.275 ( -3.502 -2.079 -2.615) 4.840 7.529 ( 6.876 3.402 5.334) 9.343 7.715 ( 2.146 5.474 -1.254) 6.012 7.801 ( 1.057 -1.573 2.467) 3.111 7.903 ( 1.941 1.430 -0.083) 2.412 7.997 ( -0.621 7.509 -1.246) 7.637 8.463 ( 3.844 -1.723 2.406) 4.851 8.584 ( -3.362 2.243 1.387) 4.273 8.735 ( 6.628 2.382 -5.788) 9.116 8.900 ( 4.753 -2.769 2.460) 6.026 9.119 ( 3.200 0.764 4.975) 5.964 9.325 ( 2.279 5.933 -0.899) 6.419 9.442 ( 0.703 1.902 -1.903) 2.781 9.589 ( -0.970 4.409 -3.343) 5.617 9.818 ( -5.822 -5.021 -0.302) 7.694 9.958 ( -2.045 -1.673 1.099) 2.861 10.159 ( -1.671 3.618 -6.516) 7.638 10.290 ( -4.521 -3.662 4.357) 7.269 10.443 ( -4.192 -6.309 0.404) 7.585 10.763 ( 2.788 -2.704 -0.327) 3.898 11.039 ( -1.309 1.790 -0.357) 2.246 11.197 ( -3.305 6.473 -0.775) 7.309 11.349 ( 3.590 -9.117 0.062) 9.799 11.634 ( 2.750 0.030 -1.079) 2.955 11.680 ( -7.309 1.027 -0.050) 7.381 12.157 ( -4.630 -2.798 -0.319) 5.419 12.307 ( -3.937 -5.411 0.935) 6.757 14.242 ( 10.213 5.790 5.199) 12.839 14.696 ( 2.181 4.958 -9.923) 11.305 15.047 ( -6.771 -7.291 -1.373) 10.044 15.379 ( 3.304 -3.944 4.869) 7.084 15.835 ( -9.887 5.561 9.320) 14.681 16.207 ( 5.386 -3.393 -6.575) 9.152 16.915 ( -0.397 -0.047 0.045) 0.402 17.461 ( -2.895 -3.218 0.457) 4.353 ======================= Grid point 76 (38/60) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -18.530 1.057 15.545) 24.210 1.817 ( -18.917 -0.993 10.628) 21.721 1.924 ( 6.740 -4.779 -5.846) 10.121 2.394 ( 7.792 -7.720 -7.337) 13.196 2.628 ( 6.632 2.148 -14.841) 16.397 2.940 ( 1.498 5.371 6.452) 8.527 3.049 ( -0.896 -4.115 1.303) 4.408 3.479 ( -1.864 4.461 -2.240) 5.329 3.546 ( -2.323 2.680 2.594) 4.394 3.636 ( 0.137 -5.385 7.614) 9.326 3.780 ( 1.026 5.051 3.520) 6.242 3.963 ( -18.302 0.543 15.406) 23.929 4.195 ( -1.782 -3.439 -4.617) 6.026 4.547 ( 8.595 -16.062 -11.939) 21.781 4.597 ( 9.928 4.378 -8.646) 13.874 4.987 ( -8.263 -2.780 0.833) 8.757 5.414 ( 2.843 6.094 0.107) 6.725 5.735 ( 16.963 1.439 -3.259) 17.333 6.332 ( 5.413 4.097 1.217) 6.897 6.501 ( -3.936 0.610 -0.007) 3.983 6.688 ( -2.562 0.630 -4.158) 4.925 6.843 ( 4.041 3.226 -0.642) 5.210 7.005 ( 0.196 2.851 -0.696) 2.941 7.096 ( 6.669 2.930 2.087) 7.577 7.176 ( -2.221 7.150 -1.199) 7.583 7.283 ( 2.127 -7.711 5.062) 9.466 7.654 ( -2.727 5.292 -2.419) 6.427 7.682 ( -3.812 3.309 -0.979) 5.142 7.857 ( 4.211 -2.724 -1.348) 5.193 7.933 ( 0.019 3.195 -2.538) 4.081 8.106 ( 6.985 4.223 2.814) 8.634 8.524 ( 1.647 -1.489 2.670) 3.473 8.595 ( -0.105 3.314 3.443) 4.780 8.742 ( 5.699 0.155 -7.166) 9.157 8.918 ( 2.924 -5.099 -3.241) 6.712 9.257 ( 4.425 4.886 3.125) 7.295 9.330 ( -4.828 5.161 -6.731) 9.759 9.459 ( -0.082 -2.272 4.340) 4.899 9.560 ( -0.366 1.283 -2.471) 2.808 9.750 ( -1.839 1.373 3.129) 3.880 9.910 ( -1.261 -4.528 -0.352) 4.713 10.171 ( 1.764 2.672 0.989) 3.351 10.244 ( -3.090 -4.192 2.253) 5.674 10.379 ( -0.712 -4.282 4.188) 6.032 10.767 ( -4.354 2.137 0.820) 4.919 10.955 ( -2.178 -0.309 -4.044) 4.603 11.229 ( -1.163 0.490 0.503) 1.359 11.346 ( 2.474 0.005 0.994) 2.667 11.544 ( -2.743 2.277 -2.050) 4.112 11.736 ( 2.078 -0.183 3.837) 4.367 12.010 ( -6.095 -7.279 -2.690) 9.868 12.230 ( -3.247 -4.358 1.306) 5.589 14.415 ( -0.082 -1.417 -1.847) 2.329 14.649 ( 2.570 5.993 -2.367) 6.937 14.984 ( 5.515 -0.900 -0.316) 5.596 15.406 ( -0.814 -0.475 0.210) 0.965 15.902 ( -6.840 2.904 13.866) 15.732 16.108 ( 1.124 -6.197 -10.008) 11.825 16.932 ( 1.532 2.153 -0.405) 2.673 17.376 ( -4.165 -4.558 0.116) 6.175 ======================= Grid point 79 (39/60) ======================= q-point: ( 0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 14.210 -7.992 -0.054) 16.303 2.059 ( 6.057 -1.009 9.190) 11.053 2.256 ( 5.911 3.827 -12.451) 14.305 2.364 ( 9.051 -1.857 6.464) 11.276 2.773 ( -1.510 1.280 4.800) 5.192 2.920 ( 1.936 -2.145 -1.078) 3.084 3.067 ( -6.977 -11.221 -0.674) 13.231 3.255 ( -8.692 -3.803 -7.181) 11.899 3.408 ( 1.868 -1.106 -1.527) 2.654 3.730 ( 0.001 3.399 9.210) 9.817 3.950 ( -11.217 -6.341 4.833) 13.762 4.079 ( 18.582 3.295 -8.431) 20.669 4.088 ( 18.986 -2.278 1.918) 19.218 4.498 ( -11.101 -6.818 -5.986) 14.337 4.735 ( -6.040 11.415 16.770) 21.166 5.075 ( 9.753 9.352 0.735) 13.532 5.456 ( -3.606 -3.050 -6.208) 7.800 5.552 ( -5.817 -1.225 -3.116) 6.712 6.234 ( 0.666 -2.693 -3.598) 4.543 6.511 ( -0.059 -1.931 -1.092) 2.220 6.602 ( -1.751 3.285 -0.931) 3.837 6.794 ( -2.303 8.233 -1.430) 8.668 6.938 ( -12.584 -2.339 -4.052) 13.425 7.019 ( -4.057 1.171 -4.881) 6.454 7.101 ( -1.480 -3.733 -1.814) 4.407 7.294 ( -0.465 0.220 3.669) 3.705 7.475 ( -7.004 2.400 0.608) 7.429 7.687 ( -9.059 4.658 1.347) 10.275 7.762 ( 0.725 5.040 0.230) 5.098 7.955 ( 2.085 -0.226 -1.645) 2.666 8.001 ( 0.576 2.482 -3.907) 4.664 8.442 ( -1.940 -4.353 -2.445) 5.356 8.544 ( 1.770 -3.089 -2.970) 4.637 8.709 ( -6.708 3.946 -6.917) 10.412 8.874 ( -1.298 1.370 1.662) 2.515 9.088 ( -2.132 -4.571 0.557) 5.074 9.256 ( -5.531 4.313 -0.042) 7.014 9.503 ( 1.589 0.730 -2.570) 3.108 9.712 ( 0.844 4.410 -0.189) 4.494 9.943 ( -3.358 -2.213 3.288) 5.194 9.998 ( 8.007 -8.823 -2.746) 12.227 10.091 ( 4.323 12.663 -0.428) 13.387 10.262 ( 6.684 -2.044 5.216) 8.722 10.491 ( 0.607 -6.961 4.871) 8.518 10.865 ( -7.355 0.539 3.139) 8.015 10.951 ( 6.289 -3.532 -5.169) 8.874 11.151 ( -0.808 2.719 1.438) 3.180 11.403 ( 3.655 0.439 -1.327) 3.913 11.582 ( -6.456 -2.605 0.064) 6.962 11.770 ( 7.056 -0.399 0.597) 7.093 12.183 ( 8.044 2.495 5.447) 10.030 12.251 ( 0.393 -3.463 3.170) 4.711 14.043 ( -13.284 10.846 0.082) 17.149 15.021 ( -3.986 -1.126 -14.639) 15.214 15.099 ( 6.719 -4.529 6.600) 10.451 15.188 ( 3.697 -11.929 2.042) 12.655 15.737 ( 7.261 7.342 2.658) 10.663 16.256 ( -7.420 4.179 4.197) 9.494 16.942 ( 2.346 -4.054 -2.595) 5.355 17.424 ( 2.251 0.286 3.635) 4.285 ======================= Grid point 80 (40/60) ======================= q-point: ( 0.43 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 3.228 -1.887 2.326) 4.403 2.155 ( 5.570 0.702 -6.263) 8.411 2.281 ( 3.245 2.499 2.871) 5.002 2.611 ( 9.995 -4.678 3.755) 11.657 2.691 ( -1.021 -3.376 -14.191) 14.623 2.863 ( 8.756 -13.253 -2.752) 16.121 2.945 ( -3.823 -3.096 4.437) 6.625 3.054 ( -13.185 5.803 4.282) 15.028 3.382 ( -2.585 -3.223 1.444) 4.377 3.756 ( -11.151 -5.475 3.467) 12.897 3.957 ( 5.414 3.223 6.906) 9.348 4.111 ( -7.381 -3.467 -6.166) 10.223 4.322 ( 8.424 6.936 2.618) 11.222 4.484 ( 20.100 -0.958 1.382) 20.170 4.868 ( -2.799 3.835 1.177) 4.891 5.183 ( -2.617 -6.304 -1.310) 6.950 5.226 ( -5.012 0.991 -3.864) 6.406 5.560 ( 6.384 6.290 -5.240) 10.381 6.186 ( -0.515 -2.271 -0.244) 2.341 6.490 ( -1.759 -2.614 1.386) 3.442 6.593 ( -1.590 1.784 0.471) 2.436 6.724 ( -3.108 0.230 -4.615) 5.569 6.805 ( -3.856 9.853 -2.016) 10.771 6.905 ( -7.554 -0.561 0.718) 7.609 7.051 ( 1.641 -2.240 -0.606) 2.842 7.337 ( -7.331 3.380 5.303) 9.659 7.506 ( 5.201 3.752 3.623) 7.366 7.636 ( -2.730 0.128 1.490) 3.113 7.765 ( -5.485 4.278 -3.589) 7.827 7.893 ( -0.231 -1.955 -1.520) 2.487 8.046 ( 1.487 5.821 -2.434) 6.483 8.383 ( -1.610 -2.437 1.822) 3.443 8.505 ( 0.431 0.093 -2.103) 2.148 8.599 ( -0.872 5.657 -5.344) 7.831 8.862 ( -3.315 -0.012 -0.357) 3.334 9.016 ( -0.411 -5.017 2.739) 5.731 9.275 ( -2.095 2.813 3.788) 5.163 9.474 ( -0.830 3.288 -5.783) 6.704 9.695 ( -4.150 3.605 -1.299) 5.648 9.950 ( 3.501 -9.879 -0.739) 10.507 9.979 ( 2.299 0.074 -0.731) 2.413 10.211 ( 3.319 11.473 -6.035) 13.382 10.374 ( 1.363 -6.219 5.913) 8.689 10.581 ( 5.405 0.481 3.111) 6.255 10.763 ( -6.120 -5.143 2.895) 8.502 10.921 ( 1.982 -1.502 -4.821) 5.425 11.236 ( 4.682 0.852 3.824) 6.105 11.422 ( -4.435 -4.220 0.297) 6.129 11.472 ( -1.272 4.299 -3.347) 5.595 11.852 ( 4.704 -2.520 0.255) 5.343 12.242 ( 0.410 -4.482 0.972) 4.604 12.352 ( 4.384 0.292 2.912) 5.271 14.011 ( -7.552 11.378 4.166) 14.278 14.766 ( -2.471 -2.081 -13.408) 13.791 15.139 ( 3.939 -9.029 3.694) 10.520 15.286 ( 4.679 -3.733 4.891) 7.729 15.910 ( 2.650 5.426 4.519) 7.542 16.201 ( -6.067 3.091 -2.145) 7.139 16.920 ( 2.336 -4.288 -0.506) 4.910 17.486 ( 1.301 -0.643 2.020) 2.487 ======================= Grid point 81 (41/60) ======================= q-point: (-0.43 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -1.367 -0.306 -0.033) 1.402 2.094 ( -2.536 -0.346 -3.559) 4.384 2.309 ( 0.468 -2.089 -7.450) 7.752 2.475 ( -3.252 0.138 -5.185) 6.122 2.638 ( 10.769 -13.628 -6.481) 18.539 2.828 ( -3.086 -4.543 1.912) 5.815 3.062 ( 2.350 1.414 5.160) 5.844 3.123 ( 3.594 10.727 10.137) 15.190 3.358 ( -0.428 0.174 2.094) 2.144 3.631 ( -8.770 -4.407 7.223) 12.187 3.803 ( -7.210 -6.845 -8.407) 13.020 4.200 ( 6.597 3.084 5.468) 9.107 4.527 ( -0.612 -5.379 -2.174) 5.834 4.635 ( 6.354 5.239 2.294) 8.549 4.724 ( -1.593 -7.470 -12.623) 14.754 5.133 ( 1.783 0.735 2.708) 3.325 5.167 ( -0.222 -0.986 -1.865) 2.121 5.591 ( -4.115 8.982 -4.864) 11.013 6.192 ( -0.467 2.367 1.960) 3.108 6.468 ( 2.325 -2.186 2.086) 3.812 6.645 ( 2.819 2.590 2.388) 4.512 6.728 ( 3.792 0.054 -0.323) 3.806 6.824 ( -3.410 1.470 2.132) 4.282 6.831 ( -3.870 9.899 0.402) 10.636 7.080 ( 3.049 -1.981 1.840) 4.075 7.346 ( -1.963 3.229 2.297) 4.422 7.573 ( -6.234 -3.715 -1.386) 7.388 7.639 ( -1.882 3.456 4.593) 6.048 7.720 ( 7.527 4.315 -1.826) 8.866 7.893 ( 0.061 -0.409 1.763) 1.811 8.050 ( -2.185 7.090 -4.011) 8.434 8.406 ( -0.993 1.565 5.183) 5.505 8.550 ( 5.004 4.042 -1.006) 6.511 8.625 ( 1.326 5.269 -0.070) 5.434 8.834 ( -1.134 0.253 2.179) 2.470 9.053 ( 1.860 -4.165 5.489) 7.137 9.315 ( -0.948 0.333 4.443) 4.555 9.411 ( -0.654 7.442 -7.570) 10.636 9.647 ( -2.976 3.934 -3.681) 6.155 9.879 ( 0.860 -8.964 -1.372) 9.109 10.009 ( 0.440 0.323 0.425) 0.692 10.211 ( -0.483 7.719 -9.680) 12.390 10.390 ( -0.515 -6.405 4.590) 7.897 10.544 ( -2.604 -4.855 -2.527) 6.061 10.733 ( -2.002 -4.218 -0.290) 4.678 10.941 ( 4.522 2.620 2.075) 5.623 11.299 ( -4.052 -7.227 0.508) 8.301 11.371 ( 7.043 -2.070 4.388) 8.552 11.436 ( -2.840 5.732 -6.582) 9.178 11.865 ( -0.538 -1.508 -0.663) 1.733 12.212 ( 0.424 -5.222 -0.344) 5.251 12.377 ( -0.382 -3.908 -0.809) 4.009 14.111 ( -1.476 8.118 8.268) 11.681 14.610 ( 1.455 3.257 -10.331) 10.929 15.208 ( 5.813 -5.671 4.557) 9.312 15.295 ( -4.309 -4.292 1.393) 6.239 16.022 ( -1.128 3.380 6.247) 7.192 16.097 ( -1.000 -0.992 -6.849) 6.993 16.920 ( 0.843 -1.591 0.341) 1.832 17.494 ( 0.072 -3.177 0.148) 3.181 ======================= Grid point 82 (42/60) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 1.885 -9.635 -10.506) 14.380 2.082 ( 0.391 -6.982 -0.467) 7.008 2.161 ( -4.319 0.977 -5.304) 6.910 2.370 ( -8.178 -0.268 2.991) 8.712 2.604 ( -1.289 -1.371 -3.341) 3.834 2.801 ( 1.180 3.787 -1.324) 4.182 3.177 ( 0.285 2.475 4.850) 5.453 3.362 ( 5.305 6.309 4.176) 9.241 3.457 ( 8.430 -3.293 -1.644) 9.199 3.563 ( -2.664 1.295 2.848) 4.109 3.674 ( -2.437 -5.092 10.480) 11.904 4.226 ( 0.900 -19.118 -18.599) 26.688 4.336 ( 6.131 2.718 -4.512) 8.083 4.453 ( -8.562 -4.366 -4.706) 10.701 4.767 ( -13.515 0.929 10.642) 17.227 5.180 ( 12.403 2.114 -3.778) 13.137 5.275 ( 0.977 5.603 6.292) 8.482 5.483 ( -10.900 8.651 -3.129) 14.263 6.243 ( 0.756 4.604 0.872) 4.747 6.541 ( 3.315 -1.962 0.860) 3.947 6.727 ( 3.955 2.915 -3.146) 5.834 6.758 ( -1.573 3.240 3.503) 5.024 6.883 ( 3.145 4.921 3.669) 6.897 6.923 ( 3.544 4.536 1.909) 6.065 7.144 ( 5.035 -3.498 2.253) 6.532 7.296 ( -4.568 1.463 -2.840) 5.574 7.570 ( 2.097 2.688 5.593) 6.551 7.741 ( 2.809 3.158 5.167) 6.675 7.802 ( 2.202 0.415 -0.914) 2.419 7.905 ( -1.368 1.060 0.619) 1.838 8.050 ( -0.040 8.038 -2.319) 8.366 8.491 ( -0.738 3.639 5.629) 6.744 8.620 ( 2.720 5.613 -4.620) 7.762 8.681 ( -1.114 4.056 0.945) 4.311 8.850 ( -1.159 -3.082 2.459) 4.110 9.126 ( 3.918 -2.159 5.434) 7.038 9.394 ( 4.199 2.224 -3.914) 6.156 9.406 ( -1.092 5.474 4.570) 7.214 9.584 ( -1.230 3.769 -5.022) 6.398 9.790 ( -0.453 -7.065 -2.203) 7.415 10.001 ( -2.770 -0.446 0.417) 2.837 10.138 ( -0.811 5.079 -5.191) 7.307 10.366 ( -3.687 -5.171 3.143) 7.086 10.454 ( -3.014 -4.589 0.121) 5.492 10.666 ( 3.733 -4.229 -2.504) 6.172 11.055 ( 2.406 2.717 1.576) 3.957 11.211 ( 1.391 -9.354 0.117) 9.458 11.326 ( -7.271 4.993 -3.600) 9.527 11.523 ( 9.850 -1.473 1.664) 10.097 11.790 ( -6.646 0.950 -2.171) 7.056 12.146 ( -1.429 -6.957 -1.940) 7.362 12.287 ( -1.830 -6.953 -1.779) 7.407 14.277 ( 2.557 -1.021 10.609) 10.960 14.611 ( 4.352 13.998 -7.774) 16.593 15.112 ( -11.657 -4.420 -1.247) 12.529 15.332 ( 6.139 -1.629 1.698) 6.575 15.989 ( 3.612 -5.884 -8.523) 10.968 16.103 ( -4.014 1.002 9.613) 10.466 16.920 ( -0.355 1.899 -1.018) 2.184 17.440 ( -0.752 -6.235 -1.433) 6.442 ======================= Grid point 83 (43/60) ======================= q-point: (-0.14 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 10.368 -12.372 -6.596) 17.438 1.880 ( 2.713 -15.212 -12.580) 19.926 2.110 ( -8.266 -1.231 6.091) 10.342 2.343 ( -6.592 4.649 6.699) 10.485 2.501 ( -8.160 4.732 -1.512) 9.553 2.892 ( 6.963 7.370 -2.634) 10.475 3.175 ( -6.282 1.238 0.796) 6.452 3.389 ( 6.077 -11.008 -2.208) 12.766 3.571 ( 5.763 8.170 0.361) 10.005 3.694 ( 2.010 -2.002 5.658) 6.329 3.781 ( 12.091 -9.091 -4.613) 15.815 3.941 ( 1.711 -7.294 -1.047) 7.565 4.240 ( -5.381 -3.801 -4.398) 7.921 4.370 ( 5.293 2.348 -7.735) 9.662 4.626 ( -26.921 5.036 14.149) 30.827 5.196 ( -7.593 -3.362 0.861) 8.349 5.463 ( 6.293 2.394 -1.881) 6.991 5.498 ( 5.522 13.587 5.016) 15.501 6.302 ( 2.151 4.143 -1.414) 4.878 6.535 ( -0.426 -0.402 -1.204) 1.339 6.715 ( -3.010 1.511 -1.379) 3.639 6.833 ( 0.833 4.843 1.893) 5.266 6.995 ( 1.734 2.812 -0.638) 3.365 7.052 ( 7.058 5.463 1.625) 9.072 7.208 ( 4.502 -3.854 0.835) 5.985 7.269 ( -1.082 1.689 2.371) 3.106 7.670 ( 1.977 2.834 -1.968) 3.976 7.791 ( -0.426 -4.076 1.163) 4.260 7.826 ( -4.959 6.233 3.406) 8.663 7.926 ( 0.158 3.341 -1.531) 3.678 8.105 ( 2.576 4.205 1.259) 5.090 8.536 ( -0.039 0.531 -2.482) 2.539 8.639 ( -1.143 8.861 -1.854) 9.125 8.704 ( 0.539 5.031 1.966) 5.428 8.810 ( -1.622 -4.538 0.485) 4.844 9.247 ( 4.648 0.020 3.235) 5.663 9.342 ( -2.912 1.284 -6.531) 7.265 9.494 ( -0.549 -2.058 3.701) 4.270 9.580 ( -0.581 4.201 0.305) 4.252 9.758 ( 4.088 -1.984 0.839) 4.621 9.940 ( -4.729 -1.489 1.011) 5.060 10.150 ( 2.115 1.856 -2.298) 3.633 10.284 ( -4.006 -3.786 0.934) 5.591 10.390 ( -0.848 -5.576 2.691) 6.249 10.723 ( 8.280 -1.737 -0.690) 8.488 11.015 ( -8.084 1.702 -3.174) 8.850 11.204 ( 5.700 -7.095 1.137) 9.171 11.325 ( 1.612 6.269 3.596) 7.405 11.618 ( -3.902 1.237 -1.543) 4.374 11.699 ( 3.855 0.254 -1.366) 4.097 11.999 ( -5.712 -9.552 -0.659) 11.150 12.201 ( 0.548 -6.567 -1.292) 6.715 14.411 ( 2.398 -4.886 8.153) 9.802 14.706 ( -3.123 13.912 -4.078) 14.830 14.938 ( -1.443 0.420 -0.628) 1.629 15.386 ( 2.034 1.036 -2.254) 3.208 15.872 ( 3.514 -8.917 -9.515) 13.506 16.174 ( -4.631 -0.728 11.282) 12.217 16.926 ( 0.577 4.527 -2.020) 4.991 17.350 ( -0.502 -7.913 -1.126) 8.008 ======================= Grid point 86 (44/60) ======================= q-point: ( 0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 19.808 -4.038 5.540) 20.961 1.792 ( 25.691 -8.140 1.733) 27.005 2.078 ( -0.371 1.790 -5.429) 5.729 2.508 ( -1.295 0.122 12.447) 12.514 2.783 ( -2.718 -5.327 -7.723) 9.768 2.910 ( -9.606 -0.506 -10.339) 14.122 3.094 ( 0.205 -6.456 6.472) 9.144 3.336 ( -2.868 3.851 6.031) 7.709 3.395 ( 1.795 0.554 2.252) 2.933 3.488 ( 32.558 -5.369 1.130) 33.017 3.851 ( -0.816 4.986 -7.512) 9.053 3.975 ( 2.259 6.442 3.959) 7.891 4.166 ( -9.437 -5.705 7.674) 13.435 4.462 ( -3.469 -8.414 -9.422) 13.100 5.002 ( -7.014 -2.358 6.544) 9.878 5.093 ( 4.152 12.723 -2.825) 13.678 5.410 ( -2.847 3.606 -1.198) 4.748 5.639 ( -14.748 -3.051 -8.216) 17.156 6.223 ( -2.737 1.304 0.205) 3.039 6.494 ( 0.318 -0.826 1.053) 1.375 6.669 ( -3.730 3.787 -0.276) 5.322 6.893 ( -2.746 9.340 -0.106) 9.736 6.961 ( -4.317 -2.947 -5.323) 7.461 7.038 ( -3.115 -2.804 -4.446) 6.111 7.128 ( -2.910 -0.028 2.584) 3.892 7.289 ( 2.847 0.714 1.515) 3.303 7.616 ( -5.731 0.629 1.188) 5.886 7.799 ( -0.570 2.054 2.837) 3.549 7.882 ( -3.102 0.039 -1.874) 3.624 7.935 ( -5.397 -0.362 -0.636) 5.446 7.980 ( -3.297 9.973 -2.011) 10.694 8.475 ( 1.395 -1.484 -0.002) 2.037 8.489 ( -4.807 -0.170 3.367) 5.872 8.776 ( -9.190 3.386 -5.386) 11.177 8.953 ( -2.298 -0.483 1.763) 2.936 9.111 ( -6.517 -2.754 -0.186) 7.078 9.364 ( -3.603 0.124 1.196) 3.799 9.494 ( -0.439 7.485 -0.559) 7.518 9.665 ( 7.189 1.276 -4.701) 8.684 9.766 ( 6.394 -4.862 -3.402) 8.723 10.004 ( -3.449 -3.946 1.725) 5.517 10.103 ( 3.393 4.467 -0.361) 5.621 10.253 ( 5.834 2.851 6.649) 9.293 10.453 ( 2.593 -7.493 3.625) 8.718 10.727 ( 9.034 -2.590 -6.037) 11.170 11.000 ( -4.705 1.128 1.711) 5.132 11.212 ( 1.378 1.463 0.934) 2.216 11.326 ( 0.743 1.578 -3.035) 3.500 11.630 ( 5.022 0.500 -2.791) 5.768 11.676 ( -2.799 -3.918 3.388) 5.887 12.107 ( 8.399 -0.583 0.988) 8.477 12.207 ( 4.954 -5.207 2.127) 7.496 14.385 ( -16.865 11.523 3.338) 20.697 14.795 ( 3.746 -3.015 -14.933) 15.688 15.078 ( -1.276 -12.474 0.315) 12.543 15.173 ( 0.276 4.276 8.280) 9.323 15.697 ( 10.103 2.151 5.298) 11.609 16.372 ( -1.927 0.268 -0.743) 2.082 16.882 ( -1.447 -0.684 -1.127) 1.957 17.386 ( 5.889 -2.707 1.276) 6.606 ======================= Grid point 87 (45/60) ======================= q-point: ( 0.43 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 13.875 0.753 3.309) 14.284 1.995 ( 7.915 3.986 -1.080) 8.928 2.197 ( 11.645 -7.693 8.542) 16.363 2.426 ( -5.003 -13.909 -13.139) 19.777 2.564 ( -5.211 -8.388 -11.485) 15.147 2.727 ( -0.131 6.804 5.300) 8.626 3.101 ( -4.427 1.291 4.476) 6.426 3.352 ( -9.467 9.974 3.664) 14.231 3.443 ( -1.452 -1.907 4.579) 5.168 3.808 ( 2.895 2.470 -6.163) 7.244 3.968 ( -6.349 -2.188 -3.685) 7.660 4.076 ( 30.889 -1.119 6.041) 31.494 4.198 ( -4.584 0.290 4.033) 6.113 4.293 ( 8.251 -1.354 5.440) 9.975 4.780 ( -5.352 -16.450 -9.387) 19.682 5.209 ( -6.542 -6.308 -1.446) 9.203 5.326 ( -9.205 10.695 -4.810) 14.908 5.467 ( 7.686 7.990 -1.328) 11.166 6.221 ( -1.542 2.752 1.998) 3.734 6.518 ( -0.171 -1.467 2.705) 3.082 6.651 ( -2.840 2.253 0.716) 3.695 6.759 ( -7.741 -0.840 -2.496) 8.176 6.922 ( -3.683 8.556 -1.011) 9.370 7.013 ( 1.918 4.074 -1.024) 4.618 7.081 ( -9.254 0.509 4.100) 10.134 7.400 ( 8.339 3.315 -1.939) 9.181 7.547 ( -7.307 -0.828 3.546) 8.164 7.738 ( -8.696 -3.410 1.828) 9.518 7.847 ( 2.120 0.844 -2.351) 3.276 7.883 ( -5.144 1.909 0.784) 5.543 8.023 ( 1.271 8.081 -2.393) 8.523 8.489 ( -4.279 1.550 4.801) 6.615 8.501 ( 1.309 0.651 2.866) 3.217 8.623 ( -5.041 6.208 -4.441) 9.147 8.883 ( -0.975 -3.424 -1.996) 4.082 9.094 ( -5.081 1.494 7.655) 9.309 9.342 ( -0.889 -2.535 0.868) 2.823 9.489 ( -4.158 8.034 -3.681) 9.767 9.667 ( 4.282 -3.700 -6.136) 8.347 9.805 ( 3.829 -2.092 0.301) 4.373 9.971 ( -0.041 -1.532 0.523) 1.619 10.150 ( 3.153 4.751 -4.443) 7.229 10.352 ( 2.307 -5.513 2.283) 6.397 10.509 ( 5.123 -1.914 -1.360) 5.635 10.787 ( 6.277 1.466 0.112) 6.447 10.899 ( -8.375 -3.356 1.113) 9.091 11.245 ( -0.869 2.322 0.177) 2.486 11.379 ( 6.295 1.020 -1.965) 6.673 11.544 ( -7.665 -4.030 1.506) 8.790 11.744 ( 6.564 1.313 -1.513) 6.863 12.150 ( 4.293 -7.600 -0.977) 8.783 12.296 ( 5.749 -2.420 1.516) 6.419 14.324 ( -12.554 7.669 7.783) 16.643 14.618 ( -0.561 2.641 -13.553) 13.820 15.020 ( 4.843 -8.646 0.637) 9.930 15.316 ( 1.355 1.623 6.591) 6.922 15.916 ( 8.474 -0.265 6.704) 10.809 16.251 ( -7.105 -1.073 -7.507) 10.392 16.874 ( 1.020 -0.256 1.053) 1.488 17.450 ( 3.831 -3.127 0.687) 4.993 ======================= Grid point 88 (46/60) ======================= q-point: (-0.43 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -5.699 -8.151 -8.256) 12.926 2.050 ( -0.322 -15.523 -15.555) 21.978 2.096 ( 7.780 0.149 -6.969) 10.445 2.333 ( 5.313 5.015 8.762) 11.409 2.540 ( 6.703 -3.530 6.816) 10.191 2.852 ( -0.488 4.300 4.303) 6.103 3.117 ( 1.041 0.453 1.205) 1.656 3.354 ( -5.703 7.334 3.409) 9.896 3.420 ( -5.371 5.295 0.931) 7.600 3.743 ( -8.050 -5.420 -7.589) 12.320 3.809 ( -1.841 -2.740 3.415) 4.750 4.199 ( 2.413 -3.541 -1.777) 4.639 4.266 ( 1.175 -17.596 -12.114) 21.395 4.466 ( 9.134 5.362 4.196) 11.392 4.662 ( 4.567 -4.708 2.163) 6.906 5.061 ( 5.093 -0.187 -0.677) 5.141 5.282 ( -4.897 6.222 2.151) 8.206 5.663 ( 2.900 12.943 0.485) 13.272 6.263 ( -1.197 5.948 0.905) 6.134 6.484 ( -2.944 -3.256 1.204) 4.552 6.639 ( 0.250 0.377 0.855) 0.967 6.756 ( 0.154 3.009 5.728) 6.472 6.949 ( -1.816 6.936 0.031) 7.170 6.991 ( -9.680 4.146 1.601) 10.652 7.070 ( 0.779 2.432 1.017) 2.749 7.419 ( -3.645 -1.278 -1.233) 4.055 7.557 ( 3.956 -3.073 2.476) 5.588 7.655 ( 0.194 0.689 0.469) 0.856 7.800 ( -8.076 2.545 1.873) 8.672 7.893 ( 2.785 1.083 1.242) 3.236 8.067 ( 0.179 8.619 -3.849) 9.441 8.513 ( -0.266 1.803 2.391) 3.006 8.606 ( -2.050 6.608 7.107) 9.918 8.620 ( 3.458 5.295 -2.186) 6.691 8.908 ( 1.693 0.595 6.130) 6.387 9.111 ( -5.663 -0.849 6.088) 8.358 9.299 ( 0.532 0.141 -4.846) 4.877 9.473 ( -2.899 5.975 1.017) 6.718 9.599 ( 1.649 -2.497 -6.275) 6.952 9.795 ( -0.336 -3.881 -2.789) 4.791 9.985 ( 3.087 -1.822 0.535) 3.624 10.160 ( 0.573 5.484 -5.094) 7.507 10.343 ( 2.270 -6.384 -0.383) 6.787 10.495 ( 1.667 -3.026 -2.811) 4.454 10.742 ( -6.915 -5.616 -2.072) 9.146 10.928 ( 5.034 4.061 2.918) 7.095 11.260 ( 3.973 -0.815 -1.423) 4.298 11.330 ( -6.805 -9.818 2.239) 12.154 11.493 ( -1.680 5.651 -1.678) 6.129 11.810 ( 4.339 0.359 -1.906) 4.753 12.117 ( 2.292 -8.233 -1.227) 8.634 12.317 ( 1.229 -5.282 -1.284) 5.573 14.333 ( -6.099 -3.236 11.229) 13.181 14.536 ( 0.230 14.808 -9.148) 17.407 15.087 ( 9.128 -3.588 1.216) 9.883 15.369 ( -3.522 -1.117 2.830) 4.654 16.002 ( -6.010 -2.669 -11.826) 13.532 16.100 ( 4.776 -2.385 8.359) 9.919 16.911 ( 1.117 1.459 0.655) 1.951 17.447 ( 0.613 -5.290 -0.792) 5.384 ======================= Grid point 89 (47/60) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -1.974 -15.443 -12.381) 19.892 1.718 ( 4.163 -21.282 -15.136) 26.445 2.132 ( 3.945 4.406 -6.957) 9.131 2.603 ( 3.810 7.924 6.507) 10.938 2.655 ( -5.233 -3.404 14.729) 15.998 2.844 ( -2.897 4.444 -5.889) 7.926 3.162 ( 5.036 -5.152 -0.405) 7.216 3.367 ( -11.101 -2.026 -3.913) 11.944 3.416 ( 2.686 -1.366 -4.111) 5.097 3.513 ( 4.471 -6.027 0.432) 7.517 3.729 ( -1.627 -2.950 -6.455) 7.281 3.961 ( -0.373 -0.118 0.799) 0.890 4.325 ( -1.764 2.008 2.542) 3.688 4.515 ( -8.642 -5.521 -1.156) 10.320 4.725 ( 15.993 -0.062 2.200) 16.144 5.207 ( -1.471 4.895 3.123) 5.990 5.374 ( 2.624 10.503 4.644) 11.780 5.733 ( -9.409 12.386 1.936) 15.675 6.292 ( -0.893 6.284 -1.473) 6.516 6.487 ( 2.531 -1.909 1.555) 3.531 6.684 ( 1.996 2.786 0.876) 3.537 6.859 ( 0.672 1.477 4.850) 5.115 6.936 ( -2.439 6.083 0.358) 6.564 6.988 ( -1.177 1.911 2.259) 3.184 7.095 ( 0.268 -1.350 1.837) 2.296 7.332 ( -3.158 -1.179 -1.330) 3.624 7.618 ( 2.286 -1.633 2.972) 4.090 7.733 ( 3.545 -0.237 1.436) 3.832 7.799 ( 1.590 4.902 3.706) 6.348 7.958 ( -0.218 2.185 2.146) 3.070 8.099 ( -0.718 10.278 -1.439) 10.403 8.546 ( 0.795 2.759 -2.344) 3.706 8.639 ( 1.080 3.646 -4.608) 5.975 8.754 ( -2.787 8.051 7.971) 11.667 8.993 ( -6.253 -0.077 7.052) 9.425 9.123 ( 2.003 -2.831 6.272) 7.167 9.275 ( 4.278 2.115 -4.933) 6.864 9.512 ( -1.589 2.211 2.990) 4.044 9.548 ( 2.514 3.520 -5.433) 6.945 9.697 ( -0.444 -5.513 -2.967) 6.277 10.029 ( 0.999 -1.508 2.670) 3.225 10.133 ( -1.435 4.294 -4.215) 6.186 10.330 ( 4.386 -1.732 -4.141) 6.276 10.462 ( 0.950 -7.543 2.201) 7.915 10.562 ( -5.121 -6.168 -3.449) 8.727 11.023 ( 2.561 -2.166 -0.023) 3.354 11.200 ( -4.955 -3.724 2.370) 6.636 11.314 ( 6.668 1.010 -2.974) 7.370 11.483 ( -2.445 2.197 1.189) 3.495 11.817 ( -0.031 -0.774 -2.139) 2.275 12.048 ( 0.928 -8.222 -2.027) 8.519 12.227 ( -2.118 -7.449 -2.419) 8.113 14.374 ( -0.969 -9.316 12.127) 15.323 14.634 ( 2.466 21.665 -4.161) 22.199 15.220 ( 8.938 0.921 -0.493) 8.999 15.255 ( -11.600 -1.957 -0.691) 11.784 15.780 ( 0.694 -5.425 -10.951) 12.241 16.226 ( 1.316 -4.155 8.843) 9.859 16.935 ( -0.099 3.570 -1.330) 3.811 17.365 ( -1.227 -8.297 -1.971) 8.616 ======================= Grid point 90 (48/60) ======================= q-point: (-0.14 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 8.651 -17.491 -8.801) 21.406 1.453 ( 8.695 -22.577 -12.747) 27.346 2.116 ( -0.041 4.294 -3.983) 5.857 2.588 ( 2.995 -19.281 -1.898) 19.605 2.598 ( -9.785 -3.327 -3.820) 11.019 2.916 ( 0.408 9.527 7.028) 11.846 2.961 ( 5.260 -18.583 -10.198) 21.841 3.283 ( 2.697 4.702 0.214) 5.424 3.398 ( -3.607 -0.841 -1.303) 3.927 3.546 ( 2.575 6.959 -6.081) 9.594 3.831 ( 5.790 5.843 7.354) 11.034 4.048 ( 1.782 3.964 4.870) 6.527 4.277 ( -7.458 -6.143 5.493) 11.115 4.337 ( -7.665 4.175 -5.871) 10.519 4.982 ( 16.121 -6.324 2.046) 17.437 5.162 ( -16.885 9.165 5.449) 19.970 5.544 ( -0.349 10.415 -0.972) 10.466 5.730 ( -8.623 12.147 8.426) 17.114 6.309 ( -0.438 4.981 -2.132) 5.435 6.507 ( 0.671 0.076 -0.879) 1.109 6.739 ( 0.461 2.975 0.377) 3.034 6.923 ( -0.709 0.868 3.761) 3.924 7.010 ( -0.170 1.165 1.183) 1.669 7.028 ( 3.851 7.060 0.052) 8.043 7.111 ( 3.931 -3.843 1.289) 5.647 7.287 ( 0.070 -1.723 -1.317) 2.170 7.650 ( 0.831 -1.190 0.321) 1.486 7.766 ( 1.016 -3.611 2.569) 4.546 7.951 ( 0.848 6.352 2.724) 6.963 7.972 ( -2.249 5.651 -1.108) 6.183 8.161 ( -1.507 7.544 2.470) 8.080 8.498 ( -1.666 0.759 -5.165) 5.480 8.609 ( 0.899 1.353 -4.853) 5.118 8.877 ( -3.342 10.435 6.134) 12.557 8.943 ( -8.314 2.418 4.107) 9.583 9.218 ( 3.485 3.863 1.536) 5.425 9.301 ( 0.657 -7.563 3.170) 8.227 9.514 ( -0.923 -0.898 -1.199) 1.760 9.615 ( 4.543 6.613 -0.254) 8.027 9.666 ( 3.761 -3.299 0.593) 5.038 10.005 ( -5.538 -2.456 -0.163) 6.060 10.106 ( 0.888 0.646 -2.450) 2.685 10.278 ( -0.137 -2.413 -4.831) 5.402 10.399 ( -3.985 -5.444 1.006) 6.822 10.541 ( 10.383 -5.127 -0.979) 11.621 11.005 ( 3.483 -8.135 1.269) 8.939 11.162 ( -3.503 2.780 -0.073) 4.473 11.392 ( 5.055 4.699 -1.090) 6.988 11.524 ( 3.929 -2.653 2.234) 5.241 11.736 ( -6.133 -0.011 -2.492) 6.620 11.980 ( 0.150 -7.002 0.796) 7.049 12.107 ( -0.501 -7.407 -2.385) 7.797 14.464 ( 1.647 -8.607 13.393) 16.005 14.813 ( 2.294 20.225 -3.256) 20.614 15.037 ( -12.678 -0.380 -0.950) 12.720 15.315 ( 4.653 4.351 -4.559) 7.834 15.637 ( 2.743 -8.914 -7.904) 12.225 16.294 ( 0.085 -5.026 6.681) 8.361 16.944 ( -0.184 4.819 -1.856) 5.167 17.256 ( 0.210 -9.599 -0.684) 9.625 ======================= Grid point 114 (49/60) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -0.000 -0.000 16.780) 16.780 1.810 ( -0.000 -0.000 16.780) 16.780 2.616 ( 0.000 0.000 -11.044) 11.044 2.616 ( 0.000 0.000 -11.044) 11.044 2.793 ( -0.000 -0.000 3.878) 3.878 3.092 ( -0.000 -0.000 6.647) 6.647 3.293 ( 0.000 0.000 -5.699) 5.699 3.293 ( 0.000 -0.000 -5.699) 5.699 3.508 ( -0.000 -0.000 12.489) 12.489 3.785 ( -0.000 -0.000 9.330) 9.330 3.785 ( -0.000 -0.000 9.330) 9.330 3.889 ( -0.000 -0.000 12.827) 12.827 4.242 ( 0.000 0.000 -6.193) 6.193 4.242 ( 0.000 -0.000 -6.193) 6.193 4.424 ( 0.000 0.000 -0.846) 0.846 5.378 ( -0.000 -0.000 0.001) 0.001 5.622 ( 0.000 0.000 -10.674) 10.674 5.622 ( 0.000 -0.000 -10.674) 10.674 6.431 ( 0.000 0.000 -1.023) 1.023 6.586 ( 0.000 0.000 -3.644) 3.644 6.586 ( 0.000 0.000 -3.644) 3.644 6.718 ( 0.000 0.000 -2.376) 2.376 6.872 ( 0.000 0.000 -10.508) 10.508 6.872 ( 0.000 0.000 -10.508) 10.508 7.069 ( 0.000 -0.000 3.528) 3.528 7.069 ( -0.000 -0.000 3.528) 3.528 7.419 ( 0.000 -0.000 0.634) 0.634 7.419 ( -0.000 -0.000 0.634) 0.634 7.530 ( -0.000 -0.000 0.697) 0.697 8.090 ( 0.000 0.000 -4.439) 4.439 8.090 ( 0.000 0.000 -4.439) 4.439 8.560 ( 0.000 0.000 -7.457) 7.457 8.726 ( 0.000 0.000 -8.176) 8.176 8.726 ( 0.000 0.000 -8.176) 8.176 8.921 ( 0.000 0.000 -9.946) 9.946 9.118 ( -0.000 0.000 2.825) 2.825 9.118 ( -0.000 -0.000 2.825) 2.825 9.664 ( 0.000 0.000 -1.444) 1.444 9.664 ( 0.000 -0.000 -1.444) 1.444 9.687 ( -0.000 -0.000 1.109) 1.109 9.820 ( -0.000 -0.000 6.807) 6.807 10.335 ( 0.000 0.000 -0.116) 0.116 10.478 ( -0.000 -0.000 7.566) 7.566 10.478 ( -0.000 -0.000 7.566) 7.566 10.517 ( -0.000 -0.000 2.848) 2.848 11.232 ( 0.000 0.000 -1.796) 1.796 11.232 ( -0.000 -0.000 -1.796) 1.796 11.485 ( 0.000 0.000 -2.406) 2.406 11.485 ( 0.000 0.000 -2.406) 2.406 11.700 ( -0.000 -0.000 14.154) 14.154 12.169 ( -0.000 -0.000 7.149) 7.149 12.169 ( -0.000 -0.000 7.149) 7.149 13.663 ( 0.000 0.000 -5.017) 5.017 15.213 ( 0.000 0.000 -16.265) 16.265 15.455 ( 0.000 0.000 2.170) 2.170 15.455 ( -0.000 -0.000 2.170) 2.170 15.690 ( -0.000 -0.000 5.945) 5.945 15.690 ( -0.000 -0.000 5.945) 5.945 17.076 ( -0.000 -0.000 3.439) 3.439 17.360 ( -0.000 -0.000 4.041) 4.041 ======================= Grid point 115 (50/60) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -0.696 0.563 12.219) 12.252 2.027 ( 2.287 1.023 8.138) 8.515 2.331 ( -8.443 -8.004 -8.171) 14.217 2.483 ( -0.718 1.866 -9.969) 10.168 2.819 ( -0.213 -5.910 -2.270) 6.335 3.045 ( -6.988 -6.130 0.676) 9.320 3.192 ( -0.877 5.839 -2.780) 6.526 3.317 ( -1.470 3.114 1.134) 3.625 3.554 ( -4.917 -4.297 -0.658) 6.563 3.749 ( -4.866 -3.959 7.809) 10.017 3.978 ( -0.504 9.377 3.605) 10.058 4.040 ( -2.114 -4.760 1.408) 5.395 4.215 ( 9.394 0.046 0.561) 9.411 4.268 ( 8.540 0.804 9.565) 12.848 4.545 ( 3.651 5.707 1.552) 6.950 5.253 ( -12.304 -8.350 1.685) 14.965 5.442 ( -0.169 -0.289 -7.255) 7.263 5.562 ( 0.955 1.572 -8.886) 9.075 6.350 ( -3.571 -2.300 -4.420) 6.130 6.512 ( -0.930 -0.239 -2.342) 2.531 6.604 ( 4.344 -0.541 -2.315) 4.952 6.665 ( -3.816 2.090 -0.532) 4.383 6.792 ( 2.670 7.828 -8.778) 12.061 6.834 ( 7.995 -2.267 -6.356) 10.462 7.090 ( 2.340 -0.971 5.028) 5.630 7.259 ( 7.044 6.031 4.101) 10.140 7.330 ( -2.990 -0.265 -0.233) 3.011 7.505 ( 2.350 0.526 0.425) 2.446 7.611 ( 6.557 3.384 1.559) 7.542 7.995 ( -2.433 -2.148 -4.504) 5.551 8.019 ( -1.264 -0.717 -5.347) 5.541 8.503 ( 2.019 0.317 -7.079) 7.368 8.603 ( -0.393 2.759 -6.038) 6.650 8.623 ( -1.785 0.669 -7.325) 7.569 8.824 ( 1.993 -0.925 -6.221) 6.598 9.122 ( 0.265 -2.808 3.845) 4.768 9.170 ( -0.405 3.474 0.059) 3.498 9.521 ( -3.417 -2.539 -2.869) 5.133 9.657 ( 1.914 -5.100 -1.415) 5.628 9.817 ( 5.651 7.038 -1.353) 9.127 9.928 ( 2.050 1.396 5.366) 5.912 10.267 ( -4.972 -3.277 -2.729) 6.550 10.430 ( -5.819 -6.383 5.931) 10.478 10.598 ( -1.905 6.353 6.055) 8.980 10.692 ( 7.203 1.513 7.050) 10.192 11.086 ( -4.643 -2.610 -4.662) 7.078 11.297 ( -1.625 2.577 1.201) 3.274 11.336 ( -2.441 -7.023 -4.293) 8.585 11.517 ( 3.412 4.070 -2.133) 5.723 11.871 ( -1.595 -1.730 9.850) 10.127 12.222 ( -1.127 -3.564 6.998) 7.934 12.288 ( 0.312 2.928 5.879) 6.575 13.684 ( 7.259 4.245 -2.362) 8.734 14.998 ( -0.568 -1.413 -13.249) 13.337 15.388 ( -9.324 0.706 1.256) 9.435 15.536 ( -3.784 -4.613 2.852) 6.613 15.580 ( -0.692 -2.854 5.190) 5.963 15.967 ( 11.140 6.228 3.824) 13.324 17.075 ( -2.838 -1.551 0.079) 3.236 17.424 ( 0.342 0.324 5.173) 5.195 ======================= Grid point 116 (51/60) ======================= q-point: (-0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -13.176 -9.717 -0.678) 16.385 2.053 ( -1.425 2.807 -6.121) 6.883 2.220 ( -5.085 -3.331 3.764) 7.150 2.418 ( 2.008 -7.517 5.034) 9.267 2.761 ( 2.183 2.705 -1.389) 3.743 2.895 ( -4.542 -6.112 -1.845) 7.835 3.236 ( 2.415 9.273 -4.128) 10.433 3.261 ( -8.786 3.283 -2.383) 9.677 3.460 ( -2.511 -0.846 4.206) 4.971 3.731 ( 2.487 -9.789 -3.105) 10.566 3.914 ( -2.974 -8.016 1.768) 8.731 4.103 ( -3.867 7.099 1.036) 8.150 4.270 ( -7.491 -0.567 9.141) 11.832 4.551 ( -3.131 8.786 -3.488) 9.958 4.632 ( 17.331 -4.612 5.532) 18.768 5.050 ( -7.555 -8.452 6.164) 12.904 5.413 ( -1.988 2.594 -7.755) 8.416 5.483 ( 5.787 3.838 -5.055) 8.589 6.230 ( -2.646 -2.018 -2.856) 4.385 6.517 ( 2.074 1.689 0.463) 2.714 6.583 ( -3.304 -0.511 -0.967) 3.480 6.679 ( 5.425 3.513 -1.058) 6.549 6.869 ( 7.163 -3.222 -3.305) 8.521 6.874 ( 8.832 11.001 -6.527) 15.544 7.176 ( -1.399 3.568 3.018) 4.879 7.297 ( 0.633 -0.600 -0.074) 0.876 7.469 ( 8.430 3.235 2.125) 9.276 7.569 ( 5.508 1.699 1.139) 5.875 7.753 ( 3.718 2.640 4.293) 6.263 7.894 ( 0.683 -0.392 -6.908) 6.953 7.931 ( -1.316 -2.324 -3.126) 4.112 8.442 ( 1.023 1.458 -2.909) 3.411 8.534 ( -0.676 1.472 -4.645) 4.920 8.629 ( 3.304 7.853 -3.838) 9.344 8.837 ( 5.298 -0.294 1.491) 5.512 9.143 ( -1.309 0.197 0.779) 1.536 9.213 ( 3.687 2.297 1.291) 4.532 9.449 ( 0.268 -0.825 -4.115) 4.205 9.610 ( 2.241 -6.130 -2.947) 7.162 9.903 ( 3.497 2.799 -2.492) 5.126 9.998 ( -1.174 0.759 0.564) 1.508 10.123 ( -5.387 -2.650 -0.075) 6.004 10.369 ( -6.181 -5.707 5.851) 10.247 10.641 ( -3.989 0.387 3.141) 5.092 10.875 ( 2.494 -1.217 4.144) 4.987 10.964 ( -2.846 4.146 -4.247) 6.582 11.135 ( -4.106 -7.557 -0.755) 8.633 11.357 ( 1.948 3.156 -1.953) 4.191 11.591 ( 4.218 4.881 -2.245) 6.830 11.847 ( -8.179 -6.768 5.130) 11.791 12.228 ( -3.305 -5.561 4.615) 7.946 12.354 ( -2.745 1.309 3.658) 4.757 13.883 ( 14.020 7.691 1.311) 16.045 14.844 ( 1.272 0.244 -13.076) 13.140 15.260 ( -8.973 -4.771 4.542) 11.132 15.426 ( -11.431 4.186 0.865) 12.204 15.658 ( 3.795 -8.242 7.047) 11.489 16.195 ( 9.858 5.251 0.051) 11.170 16.987 ( -5.219 -2.117 -1.015) 5.722 17.480 ( -1.251 -0.515 3.828) 4.060 ======================= Grid point 117 (52/60) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -13.912 -9.016 4.748) 17.244 1.934 ( -12.606 -5.186 1.387) 13.701 2.072 ( -4.616 -8.874 5.405) 11.370 2.541 ( 10.547 -0.756 -1.660) 10.703 2.779 ( -2.778 0.392 -2.331) 3.648 2.817 ( -1.302 8.928 -5.330) 10.480 3.181 ( 0.874 0.849 -1.755) 2.137 3.318 ( 4.056 6.229 -0.320) 7.440 3.446 ( -5.660 -7.755 -0.615) 9.620 3.627 ( 5.722 -0.459 -4.113) 7.062 3.806 ( -21.622 -12.233 12.651) 27.879 3.992 ( -6.404 -5.724 5.211) 10.047 4.292 ( -0.465 6.549 0.511) 6.585 4.562 ( -6.155 9.695 0.024) 11.484 4.754 ( 12.394 -13.341 -5.444) 19.006 5.114 ( 4.152 2.862 4.778) 6.947 5.316 ( 1.804 0.714 -4.439) 4.845 5.580 ( 7.022 10.323 -5.752) 13.746 6.204 ( 1.962 0.900 0.464) 2.208 6.524 ( -2.003 -1.241 0.532) 2.415 6.609 ( 4.806 2.885 0.358) 5.617 6.802 ( 5.747 5.245 1.213) 7.874 6.881 ( 3.745 -2.767 -3.333) 5.726 6.975 ( 5.194 6.757 -7.137) 11.116 7.177 ( -3.033 0.239 -0.860) 3.162 7.307 ( -0.560 2.517 1.357) 2.913 7.605 ( 4.447 0.956 1.418) 4.764 7.693 ( 8.064 -2.339 -2.187) 8.676 7.857 ( -0.464 -2.338 -3.991) 4.648 7.871 ( 6.822 3.598 1.733) 7.905 7.896 ( 3.955 4.713 1.176) 6.264 8.490 ( 1.156 2.113 0.761) 2.526 8.524 ( 2.703 2.079 1.616) 3.774 8.700 ( 4.222 8.577 -4.732) 10.667 8.983 ( 4.836 1.238 6.145) 7.917 9.135 ( -0.329 5.241 -2.811) 5.957 9.293 ( 6.805 -5.048 -5.928) 10.341 9.409 ( -0.109 1.944 2.749) 3.368 9.553 ( 1.588 -2.715 -4.460) 5.457 9.827 ( -8.706 -5.321 0.399) 10.212 10.012 ( 4.209 3.049 0.347) 5.209 10.086 ( -0.928 0.023 -1.856) 2.075 10.318 ( -3.975 -5.753 6.367) 9.457 10.594 ( -4.263 -5.729 2.987) 7.741 10.714 ( -10.767 0.645 -7.070) 12.897 11.000 ( 1.863 -1.730 1.838) 3.137 11.170 ( 6.628 0.618 3.120) 7.352 11.353 ( -5.193 5.347 -1.935) 7.700 11.560 ( -2.719 -5.939 -4.813) 8.113 11.782 ( -1.581 -0.170 4.204) 4.495 12.158 ( -5.873 -5.501 2.529) 8.435 12.320 ( -6.235 -1.513 2.007) 6.723 14.225 ( 18.398 8.699 3.989) 20.738 14.657 ( -3.773 -0.642 -14.336) 14.838 15.205 ( -0.512 -6.903 4.909) 8.486 15.316 ( -11.020 7.658 0.193) 13.421 15.724 ( 0.059 -7.420 9.689) 12.203 16.309 ( 4.716 1.751 -4.667) 6.862 16.906 ( -2.581 -0.053 0.255) 2.594 17.461 ( -4.844 -2.204 1.898) 5.650 ======================= Grid point 122 (53/60) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.240 -8.009 -1.818) 8.217 2.162 ( -0.297 3.808 9.031) 9.806 2.256 ( 1.153 -1.465 -11.162) 11.317 2.425 ( -2.504 7.725 -2.480) 8.491 2.808 ( -2.479 0.599 -1.415) 2.917 3.002 ( -1.275 -12.179 0.148) 12.247 3.251 ( 4.593 -4.787 4.419) 7.971 3.271 ( 3.905 -0.370 -1.945) 4.378 3.478 ( -0.575 -12.339 -3.963) 12.973 3.797 ( -6.899 -9.130 0.427) 11.452 3.976 ( 4.265 2.151 0.824) 4.847 4.137 ( -2.094 -2.244 2.796) 4.152 4.227 ( 9.052 6.809 4.342) 12.131 4.328 ( -8.129 13.290 4.422) 16.194 4.656 ( 0.454 6.910 8.007) 10.587 5.275 ( 1.260 -6.038 -3.952) 7.325 5.393 ( -3.788 -5.283 0.250) 6.505 5.449 ( 2.655 4.510 -8.644) 10.105 6.294 ( -0.383 -4.491 -3.704) 5.834 6.517 ( 3.225 1.358 -2.053) 4.057 6.529 ( -3.626 4.063 -3.085) 6.259 6.656 ( 2.254 -0.429 -4.140) 4.733 6.697 ( 4.078 -0.116 -0.075) 4.081 6.761 ( -4.907 4.552 -4.424) 8.023 7.153 ( 0.711 -1.404 6.277) 6.471 7.277 ( -1.631 -4.821 2.454) 5.651 7.344 ( -0.442 5.631 5.188) 7.669 7.564 ( 4.742 4.406 -0.924) 6.539 7.594 ( -3.327 7.325 1.072) 8.116 7.935 ( 1.193 -1.032 -6.390) 6.582 7.958 ( -2.172 -0.524 -4.098) 4.668 8.430 ( -2.001 1.507 -4.912) 5.514 8.490 ( 4.506 -1.493 -5.161) 7.012 8.558 ( 0.483 1.041 -5.453) 5.572 8.761 ( -1.380 4.991 -4.893) 7.124 9.146 ( 0.693 -3.662 4.011) 5.475 9.190 ( -0.000 0.459 2.067) 2.118 9.491 ( 0.885 -4.315 -5.990) 7.436 9.567 ( -4.819 -0.993 -1.867) 5.262 9.857 ( 2.582 14.913 -4.427) 15.769 9.986 ( -0.733 0.276 4.721) 4.786 10.224 ( -0.031 -6.242 -3.161) 6.996 10.521 ( -2.406 -5.697 5.140) 8.041 10.662 ( 4.399 -1.008 5.583) 7.178 10.766 ( -1.598 2.149 8.172) 8.600 11.030 ( 0.831 -5.308 -5.248) 7.511 11.259 ( -1.767 5.155 -3.071) 6.255 11.390 ( -5.419 -2.600 -1.546) 6.206 11.421 ( 6.935 0.568 -2.286) 7.324 11.997 ( -0.670 -4.642 8.065) 9.330 12.300 ( -2.385 -2.329 5.105) 6.097 12.363 ( 2.236 2.307 4.535) 5.557 13.667 ( -0.033 8.620 0.213) 8.623 14.819 ( -0.218 -2.267 -12.348) 12.556 15.416 ( 3.568 -7.879 3.511) 9.335 15.547 ( -2.002 -9.759 2.484) 10.267 15.702 ( -0.852 6.039 5.461) 8.187 15.977 ( -0.566 9.956 0.213) 9.975 17.070 ( 0.222 -3.841 -0.623) 3.897 17.488 ( 0.062 0.537 4.499) 4.531 ======================= Grid point 123 (54/60) ======================= q-point: (-0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -3.101 -4.743 -0.716) 5.711 2.096 ( -2.411 0.092 -6.395) 6.835 2.258 ( -2.319 3.546 -2.045) 4.705 2.419 ( -1.531 -3.973 5.229) 6.743 2.744 ( -4.530 -3.161 -0.354) 5.535 2.944 ( -0.508 1.280 2.198) 2.593 3.205 ( 1.083 -9.788 -3.595) 10.484 3.274 ( -2.921 -2.669 -3.602) 5.350 3.436 ( 8.540 -2.968 0.800) 9.077 3.636 ( -7.475 -6.911 3.024) 10.620 3.926 ( -0.366 -5.658 -1.281) 5.812 4.223 ( 1.220 5.787 1.479) 6.096 4.384 ( 0.784 2.711 0.837) 2.943 4.501 ( 5.092 7.259 8.142) 12.038 4.700 ( -6.693 2.653 1.295) 7.315 5.177 ( -10.645 -4.900 -0.368) 11.724 5.306 ( 9.339 0.300 -4.244) 10.262 5.403 ( -3.012 -0.670 -4.730) 5.648 6.209 ( -1.316 -2.849 -1.382) 3.429 6.521 ( 1.523 4.885 -0.546) 5.146 6.604 ( 4.213 3.436 -0.262) 5.443 6.650 ( -1.532 2.978 -1.548) 3.690 6.705 ( 5.195 -2.592 -0.688) 5.846 6.786 ( 5.358 7.290 -2.906) 9.502 7.247 ( -0.757 -3.564 1.287) 3.864 7.277 ( 4.767 -0.468 5.085) 6.986 7.408 ( -0.697 3.824 2.128) 4.432 7.586 ( 0.274 3.075 -0.257) 3.098 7.753 ( 7.623 5.222 2.599) 9.599 7.853 ( -2.718 2.603 -4.964) 6.229 7.877 ( -1.190 -0.610 -3.128) 3.402 8.390 ( 2.377 1.432 -1.587) 3.197 8.509 ( 0.266 4.480 -4.505) 6.359 8.560 ( 6.020 3.765 -2.490) 7.524 8.798 ( 4.409 4.789 1.427) 6.664 9.190 ( -2.439 -3.783 4.010) 6.028 9.199 ( 0.795 0.678 0.214) 1.067 9.382 ( 1.007 -0.683 -3.356) 3.569 9.521 ( 0.052 0.371 -2.822) 2.847 9.920 ( -0.041 11.267 -4.734) 12.221 10.021 ( -0.991 -1.455 1.905) 2.594 10.112 ( -1.799 -6.906 -2.249) 7.482 10.481 ( -5.361 -5.040 4.638) 8.698 10.679 ( -1.926 -6.219 1.707) 6.731 10.863 ( 0.193 -5.456 0.440) 5.478 10.985 ( 4.122 2.348 3.244) 5.747 11.158 ( -8.938 0.901 -4.218) 9.924 11.351 ( 1.358 2.949 -0.875) 3.363 11.512 ( 6.472 3.318 -2.151) 7.584 11.952 ( -6.762 -9.683 3.686) 12.372 12.293 ( -3.122 -3.467 3.316) 5.724 12.422 ( -0.867 -0.177 1.662) 1.883 13.832 ( 7.591 12.204 2.834) 14.649 14.673 ( 1.078 -2.192 -9.373) 9.686 15.360 ( -7.030 -8.350 1.438) 11.010 15.485 ( 1.051 -7.240 1.438) 7.456 15.787 ( -5.738 6.666 8.376) 12.146 16.084 ( 7.879 5.150 -3.378) 10.001 17.009 ( -2.503 -4.120 -0.658) 4.865 17.532 ( -0.646 -0.570 2.506) 2.650 ======================= Grid point 124 (55/60) ======================= q-point: (-0.29 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -6.225 0.332 4.355) 7.604 2.036 ( -2.062 -3.087 4.261) 5.652 2.169 ( -6.020 -2.516 -1.470) 6.688 2.388 ( -2.865 -9.287 4.004) 10.511 2.658 ( 1.217 -1.208 -6.817) 7.029 2.983 ( -7.205 -3.306 -2.231) 8.235 3.055 ( 6.082 -1.502 -2.342) 6.689 3.274 ( 5.320 7.508 -5.856) 10.907 3.426 ( -5.272 -1.044 0.211) 5.379 3.658 ( 0.297 0.517 9.481) 9.500 3.879 ( 1.410 -7.300 -0.296) 7.440 4.247 ( -5.424 5.203 0.173) 7.518 4.396 ( 0.853 -7.714 1.246) 7.860 4.502 ( -10.368 -5.683 3.322) 12.281 4.711 ( -0.738 5.027 -0.150) 5.083 5.059 ( 0.161 -2.440 0.162) 2.450 5.278 ( -2.051 -0.272 -4.528) 4.978 5.451 ( 12.212 3.432 -1.288) 12.750 6.197 ( 1.263 1.225 0.509) 1.832 6.558 ( -4.696 1.664 -1.366) 5.166 6.600 ( 2.206 4.055 0.601) 4.655 6.750 ( 5.895 -1.427 -2.619) 6.607 6.788 ( 7.875 7.209 0.090) 10.677 6.896 ( 3.673 8.042 -1.192) 8.921 7.160 ( -2.957 -2.825 -5.289) 6.685 7.370 ( 2.124 0.145 4.650) 5.114 7.551 ( 5.044 1.260 4.246) 6.713 7.614 ( 1.717 2.218 -0.366) 2.829 7.811 ( -0.216 6.145 -5.910) 8.529 7.827 ( 1.186 2.408 -0.349) 2.707 7.914 ( 4.014 1.115 4.027) 5.794 8.473 ( 5.429 2.350 0.970) 5.995 8.514 ( 0.653 4.975 -2.067) 5.426 8.621 ( 4.145 3.056 -5.150) 7.283 8.947 ( 6.193 1.320 -0.951) 6.403 9.145 ( 0.056 -0.809 -0.647) 1.037 9.198 ( -1.522 3.369 1.199) 3.886 9.465 ( 1.209 0.961 3.894) 4.189 9.483 ( 1.895 2.904 -1.780) 3.898 9.918 ( -7.490 -6.319 0.750) 9.828 9.995 ( 4.396 6.432 0.674) 7.820 10.043 ( -0.249 -3.273 -2.363) 4.045 10.414 ( -5.147 -4.718 4.158) 8.126 10.589 ( -3.596 -8.961 0.595) 9.674 10.798 ( -2.499 -0.517 -0.995) 2.739 10.981 ( -4.927 -0.620 -4.511) 6.709 11.156 ( 4.589 1.752 5.947) 7.713 11.400 ( 3.615 2.624 -0.825) 4.543 11.538 ( -5.003 2.528 -4.164) 6.983 11.811 ( -2.684 -9.072 2.718) 9.844 12.229 ( -5.328 -4.286 1.495) 7.000 12.389 ( -3.065 -3.049 0.515) 4.353 14.135 ( 13.149 13.513 3.633) 19.201 14.547 ( -2.457 -1.779 -7.631) 8.212 15.198 ( -4.741 -10.331 0.600) 11.383 15.437 ( -2.564 -1.000 -1.903) 3.346 15.885 ( -4.681 4.285 11.797) 13.395 16.161 ( 6.872 0.131 -6.298) 9.322 16.933 ( -2.307 -2.467 -0.439) 3.406 17.516 ( -2.639 -2.234 0.651) 3.518 ======================= Grid point 129 (56/60) ======================= q-point: ( 0.43 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -1.287 -4.072 1.948) 4.694 1.998 ( 8.404 -1.252 -9.452) 12.709 2.331 ( 1.900 5.755 5.738) 8.346 2.500 ( -7.684 2.270 -7.446) 10.938 2.759 ( 9.168 -2.651 3.417) 10.137 2.961 ( 6.862 -4.756 -2.597) 8.743 3.074 ( -1.139 -7.368 0.214) 7.458 3.161 ( -0.185 -12.470 1.547) 12.567 3.461 ( -4.753 -2.349 2.046) 5.683 3.826 ( 3.935 1.255 -2.063) 4.617 3.932 ( -5.068 -1.470 -4.385) 6.861 4.154 ( 5.032 0.275 5.905) 7.763 4.286 ( -3.114 1.156 4.488) 5.583 4.540 ( 3.284 2.039 4.882) 6.227 4.741 ( 0.029 8.248 -0.299) 8.254 5.209 ( -3.978 -2.574 -2.925) 5.568 5.295 ( 7.140 -5.428 1.924) 9.173 5.375 ( 0.786 2.345 -7.893) 8.272 6.217 ( 1.128 -2.537 -1.649) 3.229 6.514 ( -1.688 3.414 0.382) 3.828 6.594 ( -1.916 0.275 -0.064) 1.937 6.637 ( -2.971 1.709 -0.762) 3.511 6.655 ( -2.404 3.921 -2.031) 5.028 6.845 ( -5.903 5.454 -2.693) 8.476 7.137 ( 0.916 -5.855 2.514) 6.437 7.382 ( -1.254 1.154 3.460) 3.857 7.479 ( 1.400 4.805 4.987) 7.065 7.562 ( -5.166 6.636 1.305) 8.511 7.694 ( -6.431 1.518 -3.559) 7.505 7.836 ( 1.664 0.665 -3.704) 4.115 7.945 ( 1.023 3.314 -2.980) 4.573 8.406 ( -1.098 0.715 -0.384) 1.365 8.441 ( -3.113 3.558 -4.061) 6.233 8.521 ( -1.099 -0.106 -0.670) 1.291 8.821 ( -5.184 5.266 -0.286) 7.395 9.119 ( 2.606 -3.684 1.717) 4.828 9.262 ( -1.880 1.958 3.738) 4.620 9.394 ( -0.540 -1.071 -4.499) 4.656 9.596 ( -2.593 2.700 -5.657) 6.784 9.875 ( 0.728 10.486 -3.308) 11.020 10.032 ( 1.815 -1.346 1.170) 2.545 10.114 ( 1.427 -6.279 -1.851) 6.700 10.514 ( 4.307 -3.271 3.232) 6.301 10.673 ( 1.531 -5.663 4.745) 7.545 10.884 ( 3.421 -2.784 -5.019) 6.681 10.908 ( -4.311 -2.920 6.450) 8.290 11.243 ( 8.147 1.458 -4.094) 9.234 11.311 ( -1.727 4.011 -1.011) 4.482 11.482 ( -6.828 1.229 -0.177) 6.940 11.969 ( 6.163 -8.452 2.867) 10.846 12.331 ( 1.653 -3.755 1.178) 4.269 12.388 ( 2.091 0.224 3.446) 4.037 13.839 ( -8.073 13.015 2.892) 15.586 14.668 ( -0.704 -2.902 -9.798) 10.243 15.342 ( 3.641 -9.239 3.942) 10.685 15.435 ( 6.584 -7.999 1.924) 10.537 15.856 ( 0.889 8.681 6.579) 10.928 16.087 ( -7.583 5.313 -4.370) 10.238 16.999 ( 3.011 -4.917 -0.313) 5.774 17.529 ( 0.777 -0.750 2.559) 2.778 ======================= Grid point 130 (57/60) ======================= q-point: (-0.43 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -1.725 -3.564 -4.541) 6.025 2.029 ( 3.196 4.544 2.839) 6.239 2.259 ( -3.548 -5.366 -8.938) 11.013 2.489 ( 0.754 3.350 6.157) 7.050 2.805 ( 9.679 -13.475 -7.354) 18.147 2.860 ( -11.400 -1.875 0.233) 11.556 3.098 ( -1.874 0.899 5.015) 5.429 3.192 ( 8.745 -7.670 2.409) 11.879 3.412 ( 0.019 -1.408 4.345) 4.568 3.745 ( -6.580 -3.814 -3.839) 8.520 3.856 ( -0.491 -3.185 3.681) 4.892 4.196 ( 1.471 0.517 0.795) 1.750 4.530 ( 7.228 7.835 1.910) 10.830 4.552 ( -4.546 8.594 1.333) 9.813 4.692 ( -1.783 -9.696 -8.639) 13.108 5.144 ( 6.363 -1.408 -0.357) 6.527 5.262 ( -4.598 -7.563 1.645) 9.003 5.384 ( -1.389 6.423 -4.001) 7.694 6.193 ( -0.214 -1.117 -0.030) 1.138 6.504 ( 1.185 1.393 0.586) 1.921 6.614 ( 3.118 1.271 -0.056) 3.368 6.653 ( -1.664 9.950 0.077) 10.088 6.720 ( -1.488 2.024 1.711) 3.040 6.784 ( -0.209 5.689 0.321) 5.702 7.177 ( 3.326 -4.766 3.139) 6.606 7.349 ( -4.260 0.263 -0.049) 4.269 7.538 ( -5.964 2.322 3.760) 7.423 7.590 ( 1.112 4.516 -2.813) 5.435 7.702 ( 7.213 5.233 2.988) 9.399 7.820 ( 0.795 2.514 -2.895) 3.916 7.923 ( -3.094 3.501 -2.769) 5.431 8.396 ( -1.322 3.768 1.658) 4.323 8.462 ( 2.409 4.792 -2.116) 5.766 8.547 ( 0.923 4.540 0.955) 4.730 8.845 ( -0.428 6.444 3.467) 7.330 9.167 ( 1.619 -4.235 1.442) 4.758 9.228 ( -1.041 1.143 -3.938) 4.230 9.379 ( 0.212 0.188 5.972) 5.979 9.514 ( -2.245 3.887 -5.918) 7.428 9.929 ( 0.830 10.975 -5.452) 12.282 10.028 ( -0.004 -9.329 -1.382) 9.431 10.056 ( -0.290 -1.811 2.179) 2.848 10.513 ( -0.340 -5.477 -0.299) 5.495 10.683 ( -0.431 -8.000 4.519) 9.198 10.796 ( -2.158 -5.545 -3.442) 6.874 10.975 ( 4.234 -1.933 5.008) 6.837 11.234 ( -1.565 6.750 -8.066) 10.634 11.324 ( -1.342 0.523 -0.170) 1.450 11.471 ( 1.915 1.778 3.404) 4.292 11.951 ( -0.597 -10.032 0.166) 10.051 12.306 ( 0.095 -5.458 0.315) 5.468 12.424 ( -0.028 -1.948 -0.171) 1.956 13.940 ( -0.325 17.189 2.317) 17.347 14.557 ( 0.396 -3.970 -2.657) 4.793 15.362 ( 4.002 -8.528 1.733) 9.578 15.413 ( -3.756 -7.687 0.337) 8.563 15.972 ( 2.250 3.117 -5.053) 6.350 16.026 ( -2.719 8.085 4.913) 9.844 16.979 ( 0.213 -4.865 -0.259) 4.876 17.545 ( 0.047 -1.951 0.561) 2.031 ======================= Grid point 131 (58/60) ======================= q-point: (-0.29 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 2.809 -8.641 -1.304) 9.179 2.022 ( 0.130 0.712 -9.729) 9.756 2.257 ( 2.581 -3.251 10.373) 11.173 2.485 ( -6.680 -5.456 2.655) 9.024 2.670 ( -11.319 -3.411 0.645) 11.840 2.748 ( 5.122 -7.793 -4.228) 10.240 3.121 ( -1.565 4.365 -0.938) 4.731 3.242 ( 0.923 8.629 -1.144) 8.753 3.539 ( -4.533 4.088 0.972) 6.181 3.631 ( 10.293 -11.083 4.330) 15.733 3.909 ( -2.670 -2.202 10.503) 11.058 4.191 ( 4.560 -0.958 -9.571) 10.645 4.358 ( -8.576 -7.514 -5.443) 12.634 4.438 ( 0.190 -9.529 -9.708) 13.605 4.831 ( 1.958 7.440 7.062) 10.444 5.141 ( -0.782 -3.139 0.674) 3.305 5.297 ( 5.915 0.490 4.454) 7.421 5.319 ( -7.731 6.989 -0.927) 10.463 6.198 ( 0.568 1.255 0.146) 1.385 6.575 ( 2.640 -1.718 -0.608) 3.208 6.613 ( 1.271 4.085 -3.870) 5.769 6.711 ( -2.109 5.892 1.826) 6.519 6.770 ( 1.865 9.927 2.437) 10.390 6.917 ( 4.516 3.838 2.910) 6.602 7.152 ( -4.521 1.490 -3.045) 5.650 7.324 ( 4.374 -5.046 2.133) 7.010 7.580 ( -1.191 3.382 -0.267) 3.596 7.665 ( 3.239 5.580 6.176) 8.931 7.820 ( 1.384 11.635 -3.693) 12.286 7.857 ( -3.769 2.674 -2.912) 5.462 7.887 ( 5.630 -1.726 3.857) 7.039 8.470 ( 1.644 4.493 3.152) 5.729 8.494 ( 1.370 3.928 -3.359) 5.347 8.582 ( -1.661 4.783 -2.706) 5.741 8.917 ( -2.527 1.494 1.386) 3.247 9.127 ( 1.279 3.427 -3.536) 5.088 9.277 ( 1.947 2.079 5.652) 6.329 9.439 ( -1.025 3.317 -6.415) 7.294 9.527 ( 4.985 -0.061 9.278) 10.533 9.910 ( -1.883 -8.228 -1.548) 8.582 9.975 ( 2.021 5.122 -2.087) 5.889 10.058 ( -1.546 -0.966 2.814) 3.353 10.448 ( -0.610 -5.215 -0.955) 5.336 10.597 ( -6.645 -7.938 1.112) 10.412 10.744 ( 4.334 -5.819 1.258) 7.364 11.011 ( -3.929 1.226 -3.135) 5.174 11.190 ( 0.688 4.148 -0.305) 4.215 11.327 ( 3.332 -1.812 -0.200) 3.798 11.570 ( 2.332 2.888 1.516) 4.009 11.809 ( -5.650 -8.792 -0.899) 10.490 12.251 ( -1.566 -6.425 -0.123) 6.615 12.367 ( -0.862 -4.895 -1.904) 5.322 14.152 ( 6.512 19.289 -1.105) 20.388 14.533 ( -1.796 -3.710 4.989) 6.472 15.218 ( -9.780 -8.959 -0.509) 13.273 15.365 ( 3.484 -4.236 -3.564) 6.541 15.957 ( 7.073 -2.119 -7.538) 10.552 16.149 ( -3.668 7.650 8.764) 12.198 16.922 ( -1.472 -3.759 -1.001) 4.159 17.512 ( -0.738 -3.735 -1.033) 3.945 ======================= Grid point 171 (59/60) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.000 0.000 -6.844) 6.844 2.056 ( 0.000 0.000 -6.844) 6.844 2.297 ( 0.000 -0.000 2.154) 2.154 2.297 ( -0.000 0.000 2.154) 2.154 2.791 ( 0.000 0.000 -0.948) 0.948 3.235 ( -0.000 -0.000 2.725) 2.725 3.246 ( 0.000 -0.000 2.161) 2.161 3.246 ( -0.000 -0.000 2.161) 2.161 3.573 ( 0.000 0.000 -4.564) 4.564 3.870 ( 0.000 0.000 -5.161) 5.161 3.870 ( 0.000 0.000 -5.161) 5.161 4.223 ( -0.000 0.000 4.965) 4.965 4.223 ( -0.000 -0.000 4.965) 4.965 4.270 ( -0.000 -0.000 6.491) 6.491 4.702 ( -0.000 -0.000 6.751) 6.751 5.278 ( 0.000 0.000 -6.542) 6.542 5.278 ( 0.000 0.000 -6.542) 6.542 5.497 ( -0.000 -0.000 4.428) 4.428 6.289 ( 0.000 0.000 -3.095) 3.095 6.454 ( 0.000 0.000 -2.636) 2.636 6.454 ( 0.000 0.000 -2.636) 2.636 6.633 ( 0.000 0.000 -1.880) 1.880 6.633 ( 0.000 0.000 -1.880) 1.880 6.745 ( -0.000 -0.000 0.589) 0.589 7.268 ( 0.000 0.000 3.442) 3.442 7.268 ( -0.000 -0.000 3.442) 3.442 7.486 ( -0.000 -0.000 5.232) 5.232 7.486 ( -0.000 -0.000 5.232) 5.232 7.527 ( 0.000 0.000 -0.617) 0.617 7.879 ( 0.000 0.000 -6.395) 6.395 7.879 ( 0.000 0.000 -6.395) 6.395 8.362 ( 0.000 0.000 -2.544) 2.544 8.461 ( 0.000 0.000 -4.607) 4.607 8.461 ( 0.000 0.000 -4.607) 4.607 8.646 ( 0.000 0.000 -3.659) 3.659 9.231 ( -0.000 -0.000 4.817) 4.817 9.231 ( -0.000 -0.000 4.817) 4.817 9.496 ( 0.000 0.000 -7.325) 7.325 9.496 ( 0.000 0.000 -7.325) 7.325 9.671 ( 0.000 0.000 -0.960) 0.960 10.047 ( -0.000 -0.000 4.404) 4.404 10.234 ( 0.000 0.000 -3.186) 3.186 10.611 ( -0.000 -0.000 1.490) 1.490 10.808 ( -0.000 0.000 8.458) 8.458 10.808 ( -0.000 -0.000 8.458) 8.458 11.080 ( 0.000 0.000 -5.402) 5.402 11.080 ( 0.000 0.000 -5.402) 5.402 11.391 ( 0.000 0.000 -2.085) 2.085 11.391 ( 0.000 0.000 -2.085) 2.085 12.158 ( -0.000 -0.000 7.276) 7.276 12.381 ( -0.000 -0.000 3.016) 3.016 12.381 ( -0.000 -0.000 3.016) 3.016 13.595 ( -0.000 -0.000 0.881) 0.881 14.696 ( 0.000 0.000 -9.124) 9.124 15.598 ( 0.000 0.000 4.872) 4.872 15.598 ( -0.000 -0.000 4.872) 4.872 15.797 ( 0.000 0.000 -0.716) 0.716 15.797 ( -0.000 -0.000 -0.716) 0.716 17.094 ( 0.000 0.000 -0.740) 0.740 17.537 ( -0.000 -0.000 3.409) 3.409 ======================= Grid point 172 (60/60) ======================= q-point: (-0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -3.672 -2.829 -1.090) 4.762 2.008 ( 0.825 2.354 -3.861) 4.597 2.285 ( -1.950 -3.665 2.467) 4.830 2.415 ( 7.163 4.933 -1.181) 8.777 2.800 ( 0.943 0.418 1.536) 1.850 3.049 ( -11.340 -9.203 0.284) 14.607 3.199 ( -7.201 -0.335 1.581) 7.380 3.360 ( -10.991 -1.773 -0.348) 11.138 3.438 ( 5.775 -0.710 -3.275) 6.677 3.763 ( -2.883 -5.325 1.600) 6.263 3.892 ( 3.347 4.088 -4.869) 7.185 4.220 ( -3.654 -2.211 3.977) 5.836 4.373 ( 3.017 9.212 3.634) 10.352 4.406 ( 12.343 0.095 -1.481) 12.432 4.750 ( -2.841 -1.535 3.061) 4.450 5.197 ( -2.084 -1.708 -2.709) 3.821 5.241 ( 3.197 1.876 -1.986) 4.205 5.458 ( -7.999 -4.149 1.405) 9.120 6.232 ( -2.420 -1.470 -0.919) 2.977 6.455 ( 2.661 1.278 -0.145) 2.956 6.504 ( 6.833 4.191 -1.955) 8.251 6.626 ( -0.232 0.323 -0.460) 0.608 6.666 ( 3.199 3.183 1.095) 4.644 6.733 ( 0.969 -1.068 -1.599) 2.153 7.262 ( -3.935 1.320 1.397) 4.379 7.330 ( 3.471 -1.586 -1.067) 3.963 7.486 ( 0.172 -2.768 7.040) 7.567 7.553 ( 1.877 1.234 1.634) 2.778 7.626 ( 2.380 5.270 -4.161) 7.124 7.819 ( 2.646 1.143 1.045) 3.066 7.836 ( 1.418 -0.372 -4.472) 4.706 8.355 ( 2.459 0.598 -0.820) 2.660 8.402 ( -0.958 1.507 -1.645) 2.427 8.477 ( 4.781 2.465 -1.491) 5.582 8.710 ( 8.111 4.478 -0.580) 9.283 9.224 ( -5.365 -1.439 4.618) 7.224 9.288 ( -3.539 -3.349 -2.487) 5.471 9.380 ( 2.457 1.272 3.823) 4.719 9.458 ( 2.290 0.035 -8.105) 8.422 9.736 ( 6.326 4.434 -0.201) 7.728 10.081 ( -1.165 -0.741 2.279) 2.664 10.158 ( -4.056 -2.376 -2.200) 5.190 10.586 ( -3.621 -2.415 1.225) 4.522 10.816 ( -3.654 -3.901 5.617) 7.753 10.880 ( -6.959 -1.159 -5.548) 8.975 11.013 ( 4.057 2.998 8.252) 9.672 11.096 ( 2.971 -0.448 -7.282) 7.877 11.327 ( -2.903 -0.964 0.742) 3.148 11.425 ( 4.543 2.782 -1.825) 5.632 12.128 ( -8.314 -4.907 1.867) 9.833 12.378 ( -2.347 -2.463 1.107) 3.578 12.425 ( 0.376 1.254 1.036) 1.669 13.700 ( 9.399 5.365 0.949) 10.864 14.607 ( -0.901 -0.468 -3.753) 3.888 15.516 ( -8.031 -5.171 3.377) 10.131 15.561 ( -8.663 -3.207 -2.217) 9.499 15.822 ( 5.026 1.033 6.978) 8.662 15.935 ( 8.969 5.739 -5.041) 11.781 17.055 ( -3.265 -1.798 -0.251) 3.736 17.563 ( -0.461 -0.238 1.118) 1.232 =================== 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 3/20580 10.0 3901.208 3901.208 3817.708 0.000 -0.000 -0.000 3/20580 20.0 643.000 643.000 557.899 0.000 -0.000 -0.000 3/20580 30.0 256.116 256.116 216.640 0.000 -0.000 -0.000 3/20580 40.0 138.169 138.169 117.060 0.000 -0.000 -0.000 3/20580 50.0 84.884 84.884 72.802 0.000 -0.000 -0.000 3/20580 60.0 56.677 56.677 49.279 0.000 -0.000 -0.000 3/20580 70.0 40.405 40.405 35.527 0.000 -0.000 -0.000 3/20580 80.0 30.387 30.387 26.936 0.000 -0.000 -0.000 3/20580 90.0 23.867 23.867 21.274 0.000 -0.000 -0.000 3/20580 100.0 19.414 19.414 17.368 0.000 -0.000 -0.000 3/20580 110.0 16.242 16.242 14.565 0.000 -0.000 -0.000 3/20580 120.0 13.902 13.902 12.486 0.000 -0.000 -0.000 3/20580 130.0 12.122 12.122 10.897 0.000 -0.000 -0.000 3/20580 140.0 10.731 10.731 9.652 0.000 -0.000 -0.000 3/20580 150.0 9.620 9.620 8.655 0.000 -0.000 -0.000 3/20580 160.0 8.715 8.715 7.842 0.000 -0.000 -0.000 3/20580 170.0 7.966 7.966 7.168 0.000 -0.000 -0.000 3/20580 180.0 7.336 7.336 6.601 0.000 -0.000 -0.000 3/20580 190.0 6.800 6.800 6.119 0.000 -0.000 -0.000 3/20580 200.0 6.339 6.339 5.703 0.000 -0.000 -0.000 3/20580 210.0 5.937 5.937 5.341 0.000 -0.000 -0.000 3/20580 220.0 5.585 5.585 5.023 0.000 -0.000 -0.000 3/20580 230.0 5.274 5.274 4.743 0.000 -0.000 -0.000 3/20580 240.0 4.996 4.996 4.493 0.000 -0.000 -0.000 3/20580 250.0 4.748 4.748 4.268 0.000 -0.000 -0.000 3/20580 260.0 4.523 4.523 4.066 0.000 -0.000 -0.000 3/20580 270.0 4.320 4.320 3.883 0.000 -0.000 -0.000 3/20580 280.0 4.135 4.135 3.717 0.000 -0.000 -0.000 3/20580 290.0 3.966 3.966 3.564 0.000 -0.000 -0.000 3/20580 300.0 3.811 3.811 3.424 0.000 -0.000 -0.000 3/20580 310.0 3.667 3.667 3.295 0.000 -0.000 -0.000 3/20580 320.0 3.535 3.535 3.176 0.000 -0.000 -0.000 3/20580 330.0 3.412 3.412 3.065 0.000 -0.000 -0.000 3/20580 340.0 3.298 3.298 2.962 0.000 -0.000 -0.000 3/20580 350.0 3.191 3.191 2.866 0.000 -0.000 -0.000 3/20580 360.0 3.091 3.091 2.776 0.000 -0.000 -0.000 3/20580 370.0 2.998 2.998 2.692 0.000 -0.000 -0.000 3/20580 380.0 2.910 2.910 2.613 0.000 -0.000 -0.000 3/20580 390.0 2.828 2.828 2.539 0.000 -0.000 -0.000 3/20580 400.0 2.750 2.750 2.469 0.000 -0.000 -0.000 3/20580 410.0 2.676 2.676 2.403 0.000 -0.000 -0.000 3/20580 420.0 2.606 2.606 2.340 0.000 -0.000 -0.000 3/20580 430.0 2.540 2.540 2.281 0.000 -0.000 -0.000 3/20580 440.0 2.478 2.478 2.224 0.000 -0.000 -0.000 3/20580 450.0 2.418 2.418 2.171 0.000 -0.000 -0.000 3/20580 460.0 2.362 2.362 2.120 0.000 -0.000 -0.000 3/20580 470.0 2.308 2.308 2.071 0.000 -0.000 -0.000 3/20580 480.0 2.256 2.256 2.025 0.000 -0.000 -0.000 3/20580 490.0 2.207 2.207 1.981 0.000 -0.000 -0.000 3/20580 500.0 2.160 2.160 1.938 0.000 -0.000 -0.000 3/20580 510.0 2.115 2.115 1.898 0.000 -0.000 -0.000 3/20580 520.0 2.072 2.072 1.859 0.000 -0.000 -0.000 3/20580 530.0 2.030 2.030 1.822 0.000 -0.000 -0.000 3/20580 540.0 1.990 1.990 1.786 0.000 -0.000 -0.000 3/20580 550.0 1.952 1.952 1.752 0.000 -0.000 -0.000 3/20580 560.0 1.916 1.916 1.719 0.000 -0.000 -0.000 3/20580 570.0 1.880 1.880 1.687 0.000 -0.000 -0.000 3/20580 580.0 1.846 1.846 1.657 0.000 -0.000 -0.000 3/20580 590.0 1.813 1.813 1.627 0.000 -0.000 -0.000 3/20580 600.0 1.782 1.782 1.599 0.000 -0.000 -0.000 3/20580 610.0 1.751 1.751 1.571 0.000 -0.000 -0.000 3/20580 620.0 1.722 1.722 1.545 0.000 -0.000 -0.000 3/20580 630.0 1.693 1.693 1.519 0.000 -0.000 -0.000 3/20580 640.0 1.666 1.666 1.495 0.000 -0.000 -0.000 3/20580 650.0 1.639 1.639 1.471 0.000 -0.000 -0.000 3/20580 660.0 1.613 1.613 1.448 0.000 -0.000 -0.000 3/20580 670.0 1.588 1.588 1.425 0.000 -0.000 -0.000 3/20580 680.0 1.564 1.564 1.403 0.000 -0.000 -0.000 3/20580 690.0 1.541 1.541 1.382 0.000 -0.000 -0.000 3/20580 700.0 1.518 1.518 1.362 0.000 -0.000 -0.000 3/20580 710.0 1.496 1.496 1.342 0.000 -0.000 -0.000 3/20580 720.0 1.474 1.474 1.323 0.000 -0.000 -0.000 3/20580 730.0 1.454 1.454 1.304 0.000 -0.000 -0.000 3/20580 740.0 1.433 1.433 1.286 0.000 -0.000 -0.000 3/20580 750.0 1.414 1.414 1.268 0.000 -0.000 -0.000 3/20580 760.0 1.395 1.395 1.251 0.000 -0.000 -0.000 3/20580 770.0 1.376 1.376 1.234 0.000 -0.000 -0.000 3/20580 780.0 1.358 1.358 1.218 0.000 -0.000 -0.000 3/20580 790.0 1.340 1.340 1.202 0.000 -0.000 -0.000 3/20580 800.0 1.323 1.323 1.187 0.000 -0.000 -0.000 3/20580 810.0 1.306 1.306 1.172 0.000 -0.000 -0.000 3/20580 820.0 1.290 1.290 1.157 0.000 -0.000 -0.000 3/20580 830.0 1.274 1.274 1.143 0.000 -0.000 -0.000 3/20580 840.0 1.258 1.258 1.129 0.000 -0.000 -0.000 3/20580 850.0 1.243 1.243 1.115 0.000 -0.000 -0.000 3/20580 860.0 1.229 1.229 1.102 0.000 -0.000 -0.000 3/20580 870.0 1.214 1.214 1.089 0.000 -0.000 -0.000 3/20580 880.0 1.200 1.200 1.076 0.000 -0.000 -0.000 3/20580 890.0 1.186 1.186 1.064 0.000 -0.000 -0.000 3/20580 900.0 1.173 1.173 1.052 0.000 -0.000 -0.000 3/20580 910.0 1.160 1.160 1.040 0.000 -0.000 -0.000 3/20580 920.0 1.147 1.147 1.029 0.000 -0.000 -0.000 3/20580 930.0 1.134 1.134 1.017 0.000 -0.000 -0.000 3/20580 940.0 1.122 1.122 1.006 0.000 -0.000 -0.000 3/20580 950.0 1.110 1.110 0.996 0.000 -0.000 -0.000 3/20580 960.0 1.098 1.098 0.985 0.000 -0.000 -0.000 3/20580 970.0 1.087 1.087 0.975 0.000 -0.000 -0.000 3/20580 980.0 1.075 1.075 0.964 0.000 -0.000 -0.000 3/20580 990.0 1.064 1.064 0.955 0.000 -0.000 -0.000 3/20580 1000.0 1.053 1.053 0.945 0.000 -0.000 -0.000 3/20580 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:45:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|