----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:25:49]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.595926620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.295421200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.509896560000000 Atomic positions (fractional): *1 Ca 0.24763995355188 0.75000000000000 0.64860884407180 40.078 2 Ca 0.25236004644812 0.25000000000000 0.14860884407180 40.078 3 Ca 0.74763995355188 0.75000000000000 0.85139115592820 40.078 4 Ca 0.75236004644812 0.25000000000000 0.35139115592820 40.078 *5 Tm 0.07354438292867 0.75000000000000 0.38778939912507 168.934 *6 Tm 0.08378171335188 0.75000000000000 0.88868047224043 168.934 7 Tm 0.41621828664812 0.25000000000000 0.38868047224043 168.934 8 Tm 0.42645561707133 0.25000000000000 0.88778939912507 168.934 9 Tm 0.57354438292867 0.75000000000000 0.11221060087493 168.934 10 Tm 0.58378171335188 0.75000000000000 0.61131952775957 168.934 11 Tm 0.91621828664812 0.25000000000000 0.11131952775957 168.934 12 Tm 0.92645561707133 0.25000000000000 0.61221060087493 168.934 *13 O 0.00192376541604 0.25000000000000 0.28651413770671 15.999 *14 O 0.07451465689142 0.75000000000000 0.08189575582991 15.999 *15 O 0.13494978672411 0.25000000000000 0.51804523948501 15.999 *16 O 0.21654110524157 0.25000000000000 0.81564768733444 15.999 17 O 0.28345889475843 0.75000000000000 0.31564768733444 15.999 18 O 0.36505021327589 0.75000000000000 0.01804523948501 15.999 19 O 0.42548534310858 0.25000000000000 0.58189575582991 15.999 20 O 0.49807623458396 0.75000000000000 0.78651413770671 15.999 21 O 0.50192376541604 0.25000000000000 0.21348586229329 15.999 22 O 0.57451465689142 0.75000000000000 0.41810424417009 15.999 23 O 0.63494978672411 0.25000000000000 0.98195476051499 15.999 24 O 0.71654110524157 0.25000000000000 0.68435231266556 15.999 25 O 0.78345889475843 0.75000000000000 0.18435231266556 15.999 26 O 0.86505021327589 0.75000000000000 0.48195476051499 15.999 27 O 0.92548534310858 0.25000000000000 0.91810424417009 15.999 28 O 0.99807623458396 0.75000000000000 0.71348586229329 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.595926620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.295421200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.509896560000000 Atomic positions (fractional): *1 Ca 0.24763995355188 0.75000000000000 0.64860884407180 40.078 > 1 2 Ca 0.25236004644812 0.25000000000000 0.14860884407180 40.078 > 2 3 Ca 0.74763995355188 0.75000000000000 0.85139115592820 40.078 > 3 4 Ca 0.75236004644812 0.25000000000000 0.35139115592820 40.078 > 4 *5 Tm 0.07354438292867 0.75000000000000 0.38778939912507 168.934 > 5 *6 Tm 0.08378171335188 0.75000000000000 0.88868047224043 168.934 > 6 7 Tm 0.41621828664812 0.25000000000000 0.38868047224043 168.934 > 7 8 Tm 0.42645561707133 0.25000000000000 0.88778939912507 168.934 > 8 9 Tm 0.57354438292867 0.75000000000000 0.11221060087493 168.934 > 9 10 Tm 0.58378171335188 0.75000000000000 0.61131952775957 168.934 > 10 11 Tm 0.91621828664812 0.25000000000000 0.11131952775957 168.934 > 11 12 Tm 0.92645561707133 0.25000000000000 0.61221060087493 168.934 > 12 *13 O 0.00192376541604 0.25000000000000 0.28651413770671 15.999 > 13 *14 O 0.07451465689142 0.75000000000000 0.08189575582991 15.999 > 14 *15 O 0.13494978672411 0.25000000000000 0.51804523948501 15.999 > 15 *16 O 0.21654110524157 0.25000000000000 0.81564768733444 15.999 > 16 17 O 0.28345889475843 0.75000000000000 0.31564768733444 15.999 > 17 18 O 0.36505021327589 0.75000000000000 0.01804523948501 15.999 > 18 19 O 0.42548534310858 0.25000000000000 0.58189575582991 15.999 > 19 20 O 0.49807623458396 0.75000000000000 0.78651413770671 15.999 > 20 21 O 0.50192376541604 0.25000000000000 0.21348586229329 15.999 > 21 22 O 0.57451465689142 0.75000000000000 0.41810424417009 15.999 > 22 23 O 0.63494978672411 0.25000000000000 0.98195476051499 15.999 > 23 24 O 0.71654110524157 0.25000000000000 0.68435231266556 15.999 > 24 25 O 0.78345889475843 0.75000000000000 0.18435231266556 15.999 > 25 26 O 0.86505021327589 0.75000000000000 0.48195476051499 15.999 > 26 27 O 0.92548534310858 0.25000000000000 0.91810424417009 15.999 > 27 28 O 0.99807623458396 0.75000000000000 0.71348586229329 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.595926620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.886263599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.509896560000000 Atomic positions (fractional): *1 Ca 0.24763995355188 0.25000000000000 0.64860884407180 40.078 > 1 2 Ca 0.24763995355188 0.58333333333333 0.64860884407180 40.078 > 1 3 Ca 0.24763995355188 0.91666666666667 0.64860884407180 40.078 > 1 4 Ca 0.25236004644812 0.08333333333333 0.14860884407180 40.078 > 2 5 Ca 0.25236004644812 0.41666666666667 0.14860884407180 40.078 > 2 6 Ca 0.25236004644812 0.75000000000000 0.14860884407180 40.078 > 2 7 Ca 0.74763995355188 0.25000000000000 0.85139115592820 40.078 > 3 8 Ca 0.74763995355188 0.58333333333333 0.85139115592820 40.078 > 3 9 Ca 0.74763995355188 0.91666666666667 0.85139115592820 40.078 > 3 10 Ca 0.75236004644812 0.08333333333333 0.35139115592820 40.078 > 4 11 Ca 0.75236004644812 0.41666666666667 0.35139115592820 40.078 > 4 12 Ca 0.75236004644812 0.75000000000000 0.35139115592820 40.078 > 4 *13 Tm 0.07354438292867 0.25000000000000 0.38778939912507 168.934 > 5 14 Tm 0.07354438292867 0.58333333333333 0.38778939912507 168.934 > 5 15 Tm 0.07354438292867 0.91666666666667 0.38778939912507 168.934 > 5 *16 Tm 0.08378171335188 0.25000000000000 0.88868047224043 168.934 > 6 17 Tm 0.08378171335188 0.58333333333333 0.88868047224043 168.934 > 6 18 Tm 0.08378171335188 0.91666666666667 0.88868047224043 168.934 > 6 19 Tm 0.41621828664812 0.08333333333333 0.38868047224043 168.934 > 7 20 Tm 0.41621828664812 0.41666666666667 0.38868047224043 168.934 > 7 21 Tm 0.41621828664812 0.75000000000000 0.38868047224043 168.934 > 7 22 Tm 0.42645561707133 0.08333333333333 0.88778939912507 168.934 > 8 23 Tm 0.42645561707133 0.41666666666667 0.88778939912507 168.934 > 8 24 Tm 0.42645561707133 0.75000000000000 0.88778939912507 168.934 > 8 25 Tm 0.57354438292867 0.25000000000000 0.11221060087493 168.934 > 9 26 Tm 0.57354438292867 0.58333333333333 0.11221060087493 168.934 > 9 27 Tm 0.57354438292867 0.91666666666667 0.11221060087493 168.934 > 9 28 Tm 0.58378171335188 0.25000000000000 0.61131952775957 168.934 > 10 29 Tm 0.58378171335188 0.58333333333333 0.61131952775957 168.934 > 10 30 Tm 0.58378171335188 0.91666666666667 0.61131952775957 168.934 > 10 31 Tm 0.91621828664812 0.08333333333333 0.11131952775957 168.934 > 11 32 Tm 0.91621828664812 0.41666666666667 0.11131952775957 168.934 > 11 33 Tm 0.91621828664812 0.75000000000000 0.11131952775957 168.934 > 11 34 Tm 0.92645561707133 0.08333333333333 0.61221060087493 168.934 > 12 35 Tm 0.92645561707133 0.41666666666667 0.61221060087493 168.934 > 12 36 Tm 0.92645561707133 0.75000000000000 0.61221060087493 168.934 > 12 *37 O 0.00192376541604 0.08333333333333 0.28651413770671 15.999 > 13 38 O 0.00192376541604 0.41666666666667 0.28651413770671 15.999 > 13 39 O 0.00192376541604 0.75000000000000 0.28651413770671 15.999 > 13 *40 O 0.07451465689142 0.25000000000000 0.08189575582991 15.999 > 14 41 O 0.07451465689142 0.58333333333333 0.08189575582991 15.999 > 14 42 O 0.07451465689142 0.91666666666667 0.08189575582991 15.999 > 14 *43 O 0.13494978672411 0.08333333333333 0.51804523948501 15.999 > 15 44 O 0.13494978672411 0.41666666666667 0.51804523948501 15.999 > 15 45 O 0.13494978672411 0.75000000000000 0.51804523948501 15.999 > 15 *46 O 0.21654110524157 0.08333333333333 0.81564768733444 15.999 > 16 47 O 0.21654110524157 0.41666666666667 0.81564768733444 15.999 > 16 48 O 0.21654110524157 0.75000000000000 0.81564768733444 15.999 > 16 49 O 0.28345889475843 0.25000000000000 0.31564768733444 15.999 > 17 50 O 0.28345889475843 0.58333333333333 0.31564768733444 15.999 > 17 51 O 0.28345889475843 0.91666666666667 0.31564768733444 15.999 > 17 52 O 0.36505021327589 0.25000000000000 0.01804523948501 15.999 > 18 53 O 0.36505021327589 0.58333333333333 0.01804523948501 15.999 > 18 54 O 0.36505021327589 0.91666666666667 0.01804523948501 15.999 > 18 55 O 0.42548534310858 0.08333333333333 0.58189575582991 15.999 > 19 56 O 0.42548534310858 0.41666666666667 0.58189575582991 15.999 > 19 57 O 0.42548534310858 0.75000000000000 0.58189575582991 15.999 > 19 58 O 0.49807623458396 0.25000000000000 0.78651413770671 15.999 > 20 59 O 0.49807623458396 0.58333333333333 0.78651413770671 15.999 > 20 60 O 0.49807623458396 0.91666666666667 0.78651413770671 15.999 > 20 61 O 0.50192376541604 0.08333333333333 0.21348586229329 15.999 > 21 62 O 0.50192376541604 0.41666666666667 0.21348586229329 15.999 > 21 63 O 0.50192376541604 0.75000000000000 0.21348586229329 15.999 > 21 64 O 0.57451465689142 0.25000000000000 0.41810424417009 15.999 > 22 65 O 0.57451465689142 0.58333333333333 0.41810424417009 15.999 > 22 66 O 0.57451465689142 0.91666666666667 0.41810424417009 15.999 > 22 67 O 0.63494978672411 0.08333333333333 0.98195476051499 15.999 > 23 68 O 0.63494978672411 0.41666666666667 0.98195476051499 15.999 > 23 69 O 0.63494978672411 0.75000000000000 0.98195476051499 15.999 > 23 70 O 0.71654110524157 0.08333333333333 0.68435231266556 15.999 > 24 71 O 0.71654110524157 0.41666666666667 0.68435231266556 15.999 > 24 72 O 0.71654110524157 0.75000000000000 0.68435231266556 15.999 > 24 73 O 0.78345889475843 0.25000000000000 0.18435231266556 15.999 > 25 74 O 0.78345889475843 0.58333333333333 0.18435231266556 15.999 > 25 75 O 0.78345889475843 0.91666666666667 0.18435231266556 15.999 > 25 76 O 0.86505021327589 0.25000000000000 0.48195476051499 15.999 > 26 77 O 0.86505021327589 0.58333333333333 0.48195476051499 15.999 > 26 78 O 0.86505021327589 0.91666666666667 0.48195476051499 15.999 > 26 79 O 0.92548534310858 0.08333333333333 0.91810424417009 15.999 > 27 80 O 0.92548534310858 0.41666666666667 0.91810424417009 15.999 > 27 81 O 0.92548534310858 0.75000000000000 0.91810424417009 15.999 > 27 82 O 0.99807623458396 0.25000000000000 0.71348586229329 15.999 > 28 83 O 0.99807623458396 0.58333333333333 0.71348586229329 15.999 > 28 84 O 0.99807623458396 0.91666666666667 0.71348586229329 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1617669 0.0000000 0.0000000 0.0000000 4.3835975 0.0000000 0.0000000 0.0000000 4.2299349 -------------------------- Born effective charges -------------------------- 1 Ca 2.5833404 0.0000000 0.0317829 0.0000000 2.3734607 0.0000000 0.0161631 0.0000000 2.4361616 2 Ca 2.5833404 0.0000000 -0.0317829 0.0000000 2.3734607 0.0000000 -0.0161631 0.0000000 2.4361616 3 Ca 2.5833404 0.0000000 -0.0317829 0.0000000 2.3734607 0.0000000 -0.0161631 0.0000000 2.4361616 4 Ca 2.5833404 0.0000000 0.0317829 0.0000000 2.3734607 0.0000000 0.0161631 0.0000000 2.4361616 5 Tm 3.4736603 0.0000000 -0.1688128 0.0000000 4.1497697 0.0000000 -0.0411596 0.0000000 3.4711713 6 Tm 3.4397116 0.0000000 -0.1895068 0.0000000 3.9057870 0.0000000 -0.0740714 0.0000000 3.9707165 7 Tm 3.4397116 0.0000000 0.1895068 0.0000000 3.9057870 0.0000000 0.0740714 0.0000000 3.9707165 8 Tm 3.4736603 0.0000000 0.1688128 0.0000000 4.1497697 0.0000000 0.0411596 0.0000000 3.4711713 9 Tm 3.4736603 0.0000000 0.1688128 0.0000000 4.1497697 0.0000000 0.0411596 0.0000000 3.4711713 10 Tm 3.4397116 0.0000000 0.1895068 0.0000000 3.9057870 0.0000000 0.0740714 0.0000000 3.9707165 11 Tm 3.4397116 0.0000000 -0.1895068 0.0000000 3.9057870 0.0000000 -0.0740714 0.0000000 3.9707165 12 Tm 3.4736603 0.0000000 -0.1688128 0.0000000 4.1497697 0.0000000 -0.0411596 0.0000000 3.4711713 13 O -1.9775520 0.0000000 -0.4341546 0.0000000 -2.6088673 0.0000000 -0.5770673 0.0000000 -2.9635648 14 O -2.3501041 0.0000000 0.0407227 0.0000000 -2.6383985 0.0000000 0.1445190 0.0000000 -2.3881698 15 O -2.3604394 0.0000000 -0.0087872 0.0000000 -2.5759079 0.0000000 0.0435589 0.0000000 -2.4531964 16 O -2.8086168 0.0000000 0.0170160 0.0000000 -2.6058437 0.0000000 0.0280905 0.0000000 -2.0731185 17 O -2.8086168 0.0000000 -0.0170160 0.0000000 -2.6058437 0.0000000 -0.0280905 0.0000000 -2.0731185 18 O -2.3604394 0.0000000 0.0087872 0.0000000 -2.5759079 0.0000000 -0.0435589 0.0000000 -2.4531964 19 O -2.3501041 0.0000000 -0.0407227 0.0000000 -2.6383985 0.0000000 -0.1445190 0.0000000 -2.3881698 20 O -1.9775520 0.0000000 0.4341546 0.0000000 -2.6088673 0.0000000 0.5770673 0.0000000 -2.9635648 21 O -1.9775520 0.0000000 0.4341546 0.0000000 -2.6088673 0.0000000 0.5770673 0.0000000 -2.9635648 22 O -2.3501041 0.0000000 -0.0407227 0.0000000 -2.6383985 0.0000000 -0.1445190 0.0000000 -2.3881698 23 O -2.3604394 0.0000000 0.0087872 0.0000000 -2.5759079 0.0000000 -0.0435589 0.0000000 -2.4531964 24 O -2.8086168 0.0000000 -0.0170160 0.0000000 -2.6058437 0.0000000 -0.0280905 0.0000000 -2.0731185 25 O -2.8086168 0.0000000 0.0170160 0.0000000 -2.6058437 0.0000000 0.0280905 0.0000000 -2.0731185 26 O -2.3604394 0.0000000 -0.0087872 0.0000000 -2.5759079 0.0000000 0.0435589 0.0000000 -2.4531964 27 O -2.3501041 0.0000000 0.0407227 0.0000000 -2.6383985 0.0000000 0.1445190 0.0000000 -2.3881698 28 O -1.9775520 0.0000000 -0.4341546 0.0000000 -2.6088673 0.0000000 -0.5770673 0.0000000 -2.9635648 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.492 Solver_block: 200 / 480 - Time: 1.457 Solver_block: 300 / 480 - Time: 1.456 Solver_block: 400 / 480 - Time: 1.456 Solver_block: 480 / 480 - Time: 1.213 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.105 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), 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 23:26:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:26:12]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.595926620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.295421200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.509896560000000 Atomic positions (fractional): 1 Ca 0.24763995355188 0.75000000000000 0.64860884407180 40.078 2 Ca 0.25236004644812 0.25000000000000 0.14860884407180 40.078 3 Ca 0.74763995355188 0.75000000000000 0.85139115592820 40.078 4 Ca 0.75236004644812 0.25000000000000 0.35139115592820 40.078 5 Tm 0.07354438292867 0.75000000000000 0.38778939912507 168.934 6 Tm 0.08378171335188 0.75000000000000 0.88868047224043 168.934 7 Tm 0.41621828664812 0.25000000000000 0.38868047224043 168.934 8 Tm 0.42645561707133 0.25000000000000 0.88778939912507 168.934 9 Tm 0.57354438292867 0.75000000000000 0.11221060087493 168.934 10 Tm 0.58378171335188 0.75000000000000 0.61131952775957 168.934 11 Tm 0.91621828664812 0.25000000000000 0.11131952775957 168.934 12 Tm 0.92645561707133 0.25000000000000 0.61221060087493 168.934 13 O 0.00192376541604 0.25000000000000 0.28651413770671 15.999 14 O 0.07451465689142 0.75000000000000 0.08189575582991 15.999 15 O 0.13494978672411 0.25000000000000 0.51804523948501 15.999 16 O 0.21654110524157 0.25000000000000 0.81564768733444 15.999 17 O 0.28345889475843 0.75000000000000 0.31564768733444 15.999 18 O 0.36505021327589 0.75000000000000 0.01804523948501 15.999 19 O 0.42548534310858 0.25000000000000 0.58189575582991 15.999 20 O 0.49807623458396 0.75000000000000 0.78651413770671 15.999 21 O 0.50192376541604 0.25000000000000 0.21348586229329 15.999 22 O 0.57451465689142 0.75000000000000 0.41810424417009 15.999 23 O 0.63494978672411 0.25000000000000 0.98195476051499 15.999 24 O 0.71654110524157 0.25000000000000 0.68435231266556 15.999 25 O 0.78345889475843 0.75000000000000 0.18435231266556 15.999 26 O 0.86505021327589 0.75000000000000 0.48195476051499 15.999 27 O 0.92548534310858 0.25000000000000 0.91810424417009 15.999 28 O 0.99807623458396 0.75000000000000 0.71348586229329 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.595926620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.886263599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.509896560000000 Atomic positions (fractional): 1 Ca 0.24763995355188 0.25000000000000 0.64860884407180 40.078 > 1 2 Ca 0.24763995355188 0.58333333333333 0.64860884407180 40.078 > 1 3 Ca 0.24763995355188 0.91666666666667 0.64860884407180 40.078 > 1 4 Ca 0.25236004644812 0.08333333333333 0.14860884407180 40.078 > 4 5 Ca 0.25236004644812 0.41666666666667 0.14860884407180 40.078 > 4 6 Ca 0.25236004644812 0.75000000000000 0.14860884407180 40.078 > 4 7 Ca 0.74763995355188 0.25000000000000 0.85139115592820 40.078 > 7 8 Ca 0.74763995355188 0.58333333333333 0.85139115592820 40.078 > 7 9 Ca 0.74763995355188 0.91666666666667 0.85139115592820 40.078 > 7 10 Ca 0.75236004644812 0.08333333333333 0.35139115592820 40.078 > 10 11 Ca 0.75236004644812 0.41666666666667 0.35139115592820 40.078 > 10 12 Ca 0.75236004644812 0.75000000000000 0.35139115592820 40.078 > 10 13 Tm 0.07354438292867 0.25000000000000 0.38778939912507 168.934 > 13 14 Tm 0.07354438292867 0.58333333333333 0.38778939912507 168.934 > 13 15 Tm 0.07354438292867 0.91666666666667 0.38778939912507 168.934 > 13 16 Tm 0.08378171335188 0.25000000000000 0.88868047224043 168.934 > 16 17 Tm 0.08378171335188 0.58333333333333 0.88868047224043 168.934 > 16 18 Tm 0.08378171335188 0.91666666666667 0.88868047224043 168.934 > 16 19 Tm 0.41621828664812 0.08333333333333 0.38868047224043 168.934 > 19 20 Tm 0.41621828664812 0.41666666666667 0.38868047224043 168.934 > 19 21 Tm 0.41621828664812 0.75000000000000 0.38868047224043 168.934 > 19 22 Tm 0.42645561707133 0.08333333333333 0.88778939912507 168.934 > 22 23 Tm 0.42645561707133 0.41666666666667 0.88778939912507 168.934 > 22 24 Tm 0.42645561707133 0.75000000000000 0.88778939912507 168.934 > 22 25 Tm 0.57354438292867 0.25000000000000 0.11221060087493 168.934 > 25 26 Tm 0.57354438292867 0.58333333333333 0.11221060087493 168.934 > 25 27 Tm 0.57354438292867 0.91666666666667 0.11221060087493 168.934 > 25 28 Tm 0.58378171335188 0.25000000000000 0.61131952775957 168.934 > 28 29 Tm 0.58378171335188 0.58333333333333 0.61131952775957 168.934 > 28 30 Tm 0.58378171335188 0.91666666666667 0.61131952775957 168.934 > 28 31 Tm 0.91621828664812 0.08333333333333 0.11131952775957 168.934 > 31 32 Tm 0.91621828664812 0.41666666666667 0.11131952775957 168.934 > 31 33 Tm 0.91621828664812 0.75000000000000 0.11131952775957 168.934 > 31 34 Tm 0.92645561707133 0.08333333333333 0.61221060087493 168.934 > 34 35 Tm 0.92645561707133 0.41666666666667 0.61221060087493 168.934 > 34 36 Tm 0.92645561707133 0.75000000000000 0.61221060087493 168.934 > 34 37 O 0.00192376541604 0.08333333333333 0.28651413770671 15.999 > 37 38 O 0.00192376541604 0.41666666666667 0.28651413770671 15.999 > 37 39 O 0.00192376541604 0.75000000000000 0.28651413770671 15.999 > 37 40 O 0.07451465689142 0.25000000000000 0.08189575582991 15.999 > 40 41 O 0.07451465689142 0.58333333333333 0.08189575582991 15.999 > 40 42 O 0.07451465689142 0.91666666666667 0.08189575582991 15.999 > 40 43 O 0.13494978672411 0.08333333333333 0.51804523948501 15.999 > 43 44 O 0.13494978672411 0.41666666666667 0.51804523948501 15.999 > 43 45 O 0.13494978672411 0.75000000000000 0.51804523948501 15.999 > 43 46 O 0.21654110524157 0.08333333333333 0.81564768733444 15.999 > 46 47 O 0.21654110524157 0.41666666666667 0.81564768733444 15.999 > 46 48 O 0.21654110524157 0.75000000000000 0.81564768733444 15.999 > 46 49 O 0.28345889475843 0.25000000000000 0.31564768733444 15.999 > 49 50 O 0.28345889475843 0.58333333333333 0.31564768733444 15.999 > 49 51 O 0.28345889475843 0.91666666666667 0.31564768733444 15.999 > 49 52 O 0.36505021327589 0.25000000000000 0.01804523948501 15.999 > 52 53 O 0.36505021327589 0.58333333333333 0.01804523948501 15.999 > 52 54 O 0.36505021327589 0.91666666666667 0.01804523948501 15.999 > 52 55 O 0.42548534310858 0.08333333333333 0.58189575582991 15.999 > 55 56 O 0.42548534310858 0.41666666666667 0.58189575582991 15.999 > 55 57 O 0.42548534310858 0.75000000000000 0.58189575582991 15.999 > 55 58 O 0.49807623458396 0.25000000000000 0.78651413770671 15.999 > 58 59 O 0.49807623458396 0.58333333333333 0.78651413770671 15.999 > 58 60 O 0.49807623458396 0.91666666666667 0.78651413770671 15.999 > 58 61 O 0.50192376541604 0.08333333333333 0.21348586229329 15.999 > 61 62 O 0.50192376541604 0.41666666666667 0.21348586229329 15.999 > 61 63 O 0.50192376541604 0.75000000000000 0.21348586229329 15.999 > 61 64 O 0.57451465689142 0.25000000000000 0.41810424417009 15.999 > 64 65 O 0.57451465689142 0.58333333333333 0.41810424417009 15.999 > 64 66 O 0.57451465689142 0.91666666666667 0.41810424417009 15.999 > 64 67 O 0.63494978672411 0.08333333333333 0.98195476051499 15.999 > 67 68 O 0.63494978672411 0.41666666666667 0.98195476051499 15.999 > 67 69 O 0.63494978672411 0.75000000000000 0.98195476051499 15.999 > 67 70 O 0.71654110524157 0.08333333333333 0.68435231266556 15.999 > 70 71 O 0.71654110524157 0.41666666666667 0.68435231266556 15.999 > 70 72 O 0.71654110524157 0.75000000000000 0.68435231266556 15.999 > 70 73 O 0.78345889475843 0.25000000000000 0.18435231266556 15.999 > 73 74 O 0.78345889475843 0.58333333333333 0.18435231266556 15.999 > 73 75 O 0.78345889475843 0.91666666666667 0.18435231266556 15.999 > 73 76 O 0.86505021327589 0.25000000000000 0.48195476051499 15.999 > 76 77 O 0.86505021327589 0.58333333333333 0.48195476051499 15.999 > 76 78 O 0.86505021327589 0.91666666666667 0.48195476051499 15.999 > 76 79 O 0.92548534310858 0.08333333333333 0.91810424417009 15.999 > 79 80 O 0.92548534310858 0.41666666666667 0.91810424417009 15.999 > 79 81 O 0.92548534310858 0.75000000000000 0.91810424417009 15.999 > 79 82 O 0.99807623458396 0.25000000000000 0.71348586229329 15.999 > 82 83 O 0.99807623458396 0.58333333333333 0.71348586229329 15.999 > 82 84 O 0.99807623458396 0.91666666666667 0.71348586229329 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1617669 0.0000000 0.0000000 0.0000000 4.3835975 0.0000000 0.0000000 0.0000000 4.2299349 -------------------------- Born effective charges -------------------------- 1 Ca 2.5833404 0.0000000 0.0317829 0.0000000 2.3734607 0.0000000 0.0161631 0.0000000 2.4361616 2 Ca 2.5833404 0.0000000 -0.0317829 0.0000000 2.3734607 0.0000000 -0.0161631 0.0000000 2.4361616 3 Ca 2.5833404 0.0000000 -0.0317829 0.0000000 2.3734607 0.0000000 -0.0161631 0.0000000 2.4361616 4 Ca 2.5833404 0.0000000 0.0317829 0.0000000 2.3734607 0.0000000 0.0161631 0.0000000 2.4361616 5 Tm 3.4736603 0.0000000 -0.1688128 0.0000000 4.1497697 0.0000000 -0.0411596 0.0000000 3.4711713 6 Tm 3.4397116 0.0000000 -0.1895068 0.0000000 3.9057870 0.0000000 -0.0740714 0.0000000 3.9707165 7 Tm 3.4397116 0.0000000 0.1895068 0.0000000 3.9057870 0.0000000 0.0740714 0.0000000 3.9707165 8 Tm 3.4736603 0.0000000 0.1688128 0.0000000 4.1497697 0.0000000 0.0411596 0.0000000 3.4711713 9 Tm 3.4736603 0.0000000 0.1688128 0.0000000 4.1497697 0.0000000 0.0411596 0.0000000 3.4711713 10 Tm 3.4397116 0.0000000 0.1895068 0.0000000 3.9057870 0.0000000 0.0740714 0.0000000 3.9707165 11 Tm 3.4397116 0.0000000 -0.1895068 0.0000000 3.9057870 0.0000000 -0.0740714 0.0000000 3.9707165 12 Tm 3.4736603 0.0000000 -0.1688128 0.0000000 4.1497697 0.0000000 -0.0411596 0.0000000 3.4711713 13 O -1.9775520 0.0000000 -0.4341546 0.0000000 -2.6088673 0.0000000 -0.5770673 0.0000000 -2.9635648 14 O -2.3501041 0.0000000 0.0407227 0.0000000 -2.6383985 0.0000000 0.1445190 0.0000000 -2.3881698 15 O -2.3604394 0.0000000 -0.0087872 0.0000000 -2.5759079 0.0000000 0.0435589 0.0000000 -2.4531964 16 O -2.8086168 0.0000000 0.0170160 0.0000000 -2.6058437 0.0000000 0.0280905 0.0000000 -2.0731185 17 O -2.8086168 0.0000000 -0.0170160 0.0000000 -2.6058437 0.0000000 -0.0280905 0.0000000 -2.0731185 18 O -2.3604394 0.0000000 0.0087872 0.0000000 -2.5759079 0.0000000 -0.0435589 0.0000000 -2.4531964 19 O -2.3501041 0.0000000 -0.0407227 0.0000000 -2.6383985 0.0000000 -0.1445190 0.0000000 -2.3881698 20 O -1.9775520 0.0000000 0.4341546 0.0000000 -2.6088673 0.0000000 0.5770673 0.0000000 -2.9635648 21 O -1.9775520 0.0000000 0.4341546 0.0000000 -2.6088673 0.0000000 0.5770673 0.0000000 -2.9635648 22 O -2.3501041 0.0000000 -0.0407227 0.0000000 -2.6383985 0.0000000 -0.1445190 0.0000000 -2.3881698 23 O -2.3604394 0.0000000 0.0087872 0.0000000 -2.5759079 0.0000000 -0.0435589 0.0000000 -2.4531964 24 O -2.8086168 0.0000000 -0.0170160 0.0000000 -2.6058437 0.0000000 -0.0280905 0.0000000 -2.0731185 25 O -2.8086168 0.0000000 0.0170160 0.0000000 -2.6058437 0.0000000 0.0280905 0.0000000 -2.0731185 26 O -2.3604394 0.0000000 -0.0087872 0.0000000 -2.5759079 0.0000000 0.0435589 0.0000000 -2.4531964 27 O -2.3501041 0.0000000 0.0407227 0.0000000 -2.6383985 0.0000000 0.1445190 0.0000000 -2.3881698 28 O -1.9775520 0.0000000 -0.4341546 0.0000000 -2.6088673 0.0000000 -0.5770673 0.0000000 -2.9635648 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 16, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:26:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:26:28]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.595926620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.295421200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.509896560000000 Atomic positions (fractional): 1 Ca 0.24763995355188 0.75000000000000 0.64860884407180 40.078 2 Ca 0.25236004644812 0.25000000000000 0.14860884407180 40.078 3 Ca 0.74763995355188 0.75000000000000 0.85139115592820 40.078 4 Ca 0.75236004644812 0.25000000000000 0.35139115592820 40.078 5 Tm 0.07354438292867 0.75000000000000 0.38778939912507 168.934 6 Tm 0.08378171335188 0.75000000000000 0.88868047224043 168.934 7 Tm 0.41621828664812 0.25000000000000 0.38868047224043 168.934 8 Tm 0.42645561707133 0.25000000000000 0.88778939912507 168.934 9 Tm 0.57354438292867 0.75000000000000 0.11221060087493 168.934 10 Tm 0.58378171335188 0.75000000000000 0.61131952775957 168.934 11 Tm 0.91621828664812 0.25000000000000 0.11131952775957 168.934 12 Tm 0.92645561707133 0.25000000000000 0.61221060087493 168.934 13 O 0.00192376541604 0.25000000000000 0.28651413770671 15.999 14 O 0.07451465689142 0.75000000000000 0.08189575582991 15.999 15 O 0.13494978672411 0.25000000000000 0.51804523948501 15.999 16 O 0.21654110524157 0.25000000000000 0.81564768733444 15.999 17 O 0.28345889475843 0.75000000000000 0.31564768733444 15.999 18 O 0.36505021327589 0.75000000000000 0.01804523948501 15.999 19 O 0.42548534310858 0.25000000000000 0.58189575582991 15.999 20 O 0.49807623458396 0.75000000000000 0.78651413770671 15.999 21 O 0.50192376541604 0.25000000000000 0.21348586229329 15.999 22 O 0.57451465689142 0.75000000000000 0.41810424417009 15.999 23 O 0.63494978672411 0.25000000000000 0.98195476051499 15.999 24 O 0.71654110524157 0.25000000000000 0.68435231266556 15.999 25 O 0.78345889475843 0.75000000000000 0.18435231266556 15.999 26 O 0.86505021327589 0.75000000000000 0.48195476051499 15.999 27 O 0.92548534310858 0.25000000000000 0.91810424417009 15.999 28 O 0.99807623458396 0.75000000000000 0.71348586229329 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.595926620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.886263599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.509896560000000 Atomic positions (fractional): 1 Ca 0.24763995355188 0.25000000000000 0.64860884407180 40.078 > 1 2 Ca 0.24763995355188 0.58333333333333 0.64860884407180 40.078 > 1 3 Ca 0.24763995355188 0.91666666666667 0.64860884407180 40.078 > 1 4 Ca 0.25236004644812 0.08333333333333 0.14860884407180 40.078 > 4 5 Ca 0.25236004644812 0.41666666666667 0.14860884407180 40.078 > 4 6 Ca 0.25236004644812 0.75000000000000 0.14860884407180 40.078 > 4 7 Ca 0.74763995355188 0.25000000000000 0.85139115592820 40.078 > 7 8 Ca 0.74763995355188 0.58333333333333 0.85139115592820 40.078 > 7 9 Ca 0.74763995355188 0.91666666666667 0.85139115592820 40.078 > 7 10 Ca 0.75236004644812 0.08333333333333 0.35139115592820 40.078 > 10 11 Ca 0.75236004644812 0.41666666666667 0.35139115592820 40.078 > 10 12 Ca 0.75236004644812 0.75000000000000 0.35139115592820 40.078 > 10 13 Tm 0.07354438292867 0.25000000000000 0.38778939912507 168.934 > 13 14 Tm 0.07354438292867 0.58333333333333 0.38778939912507 168.934 > 13 15 Tm 0.07354438292867 0.91666666666667 0.38778939912507 168.934 > 13 16 Tm 0.08378171335188 0.25000000000000 0.88868047224043 168.934 > 16 17 Tm 0.08378171335188 0.58333333333333 0.88868047224043 168.934 > 16 18 Tm 0.08378171335188 0.91666666666667 0.88868047224043 168.934 > 16 19 Tm 0.41621828664812 0.08333333333333 0.38868047224043 168.934 > 19 20 Tm 0.41621828664812 0.41666666666667 0.38868047224043 168.934 > 19 21 Tm 0.41621828664812 0.75000000000000 0.38868047224043 168.934 > 19 22 Tm 0.42645561707133 0.08333333333333 0.88778939912507 168.934 > 22 23 Tm 0.42645561707133 0.41666666666667 0.88778939912507 168.934 > 22 24 Tm 0.42645561707133 0.75000000000000 0.88778939912507 168.934 > 22 25 Tm 0.57354438292867 0.25000000000000 0.11221060087493 168.934 > 25 26 Tm 0.57354438292867 0.58333333333333 0.11221060087493 168.934 > 25 27 Tm 0.57354438292867 0.91666666666667 0.11221060087493 168.934 > 25 28 Tm 0.58378171335188 0.25000000000000 0.61131952775957 168.934 > 28 29 Tm 0.58378171335188 0.58333333333333 0.61131952775957 168.934 > 28 30 Tm 0.58378171335188 0.91666666666667 0.61131952775957 168.934 > 28 31 Tm 0.91621828664812 0.08333333333333 0.11131952775957 168.934 > 31 32 Tm 0.91621828664812 0.41666666666667 0.11131952775957 168.934 > 31 33 Tm 0.91621828664812 0.75000000000000 0.11131952775957 168.934 > 31 34 Tm 0.92645561707133 0.08333333333333 0.61221060087493 168.934 > 34 35 Tm 0.92645561707133 0.41666666666667 0.61221060087493 168.934 > 34 36 Tm 0.92645561707133 0.75000000000000 0.61221060087493 168.934 > 34 37 O 0.00192376541604 0.08333333333333 0.28651413770671 15.999 > 37 38 O 0.00192376541604 0.41666666666667 0.28651413770671 15.999 > 37 39 O 0.00192376541604 0.75000000000000 0.28651413770671 15.999 > 37 40 O 0.07451465689142 0.25000000000000 0.08189575582991 15.999 > 40 41 O 0.07451465689142 0.58333333333333 0.08189575582991 15.999 > 40 42 O 0.07451465689142 0.91666666666667 0.08189575582991 15.999 > 40 43 O 0.13494978672411 0.08333333333333 0.51804523948501 15.999 > 43 44 O 0.13494978672411 0.41666666666667 0.51804523948501 15.999 > 43 45 O 0.13494978672411 0.75000000000000 0.51804523948501 15.999 > 43 46 O 0.21654110524157 0.08333333333333 0.81564768733444 15.999 > 46 47 O 0.21654110524157 0.41666666666667 0.81564768733444 15.999 > 46 48 O 0.21654110524157 0.75000000000000 0.81564768733444 15.999 > 46 49 O 0.28345889475843 0.25000000000000 0.31564768733444 15.999 > 49 50 O 0.28345889475843 0.58333333333333 0.31564768733444 15.999 > 49 51 O 0.28345889475843 0.91666666666667 0.31564768733444 15.999 > 49 52 O 0.36505021327589 0.25000000000000 0.01804523948501 15.999 > 52 53 O 0.36505021327589 0.58333333333333 0.01804523948501 15.999 > 52 54 O 0.36505021327589 0.91666666666667 0.01804523948501 15.999 > 52 55 O 0.42548534310858 0.08333333333333 0.58189575582991 15.999 > 55 56 O 0.42548534310858 0.41666666666667 0.58189575582991 15.999 > 55 57 O 0.42548534310858 0.75000000000000 0.58189575582991 15.999 > 55 58 O 0.49807623458396 0.25000000000000 0.78651413770671 15.999 > 58 59 O 0.49807623458396 0.58333333333333 0.78651413770671 15.999 > 58 60 O 0.49807623458396 0.91666666666667 0.78651413770671 15.999 > 58 61 O 0.50192376541604 0.08333333333333 0.21348586229329 15.999 > 61 62 O 0.50192376541604 0.41666666666667 0.21348586229329 15.999 > 61 63 O 0.50192376541604 0.75000000000000 0.21348586229329 15.999 > 61 64 O 0.57451465689142 0.25000000000000 0.41810424417009 15.999 > 64 65 O 0.57451465689142 0.58333333333333 0.41810424417009 15.999 > 64 66 O 0.57451465689142 0.91666666666667 0.41810424417009 15.999 > 64 67 O 0.63494978672411 0.08333333333333 0.98195476051499 15.999 > 67 68 O 0.63494978672411 0.41666666666667 0.98195476051499 15.999 > 67 69 O 0.63494978672411 0.75000000000000 0.98195476051499 15.999 > 67 70 O 0.71654110524157 0.08333333333333 0.68435231266556 15.999 > 70 71 O 0.71654110524157 0.41666666666667 0.68435231266556 15.999 > 70 72 O 0.71654110524157 0.75000000000000 0.68435231266556 15.999 > 70 73 O 0.78345889475843 0.25000000000000 0.18435231266556 15.999 > 73 74 O 0.78345889475843 0.58333333333333 0.18435231266556 15.999 > 73 75 O 0.78345889475843 0.91666666666667 0.18435231266556 15.999 > 73 76 O 0.86505021327589 0.25000000000000 0.48195476051499 15.999 > 76 77 O 0.86505021327589 0.58333333333333 0.48195476051499 15.999 > 76 78 O 0.86505021327589 0.91666666666667 0.48195476051499 15.999 > 76 79 O 0.92548534310858 0.08333333333333 0.91810424417009 15.999 > 79 80 O 0.92548534310858 0.41666666666667 0.91810424417009 15.999 > 79 81 O 0.92548534310858 0.75000000000000 0.91810424417009 15.999 > 79 82 O 0.99807623458396 0.25000000000000 0.71348586229329 15.999 > 82 83 O 0.99807623458396 0.58333333333333 0.71348586229329 15.999 > 82 84 O 0.99807623458396 0.91666666666667 0.71348586229329 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1617669 0.0000000 0.0000000 0.0000000 4.3835975 0.0000000 0.0000000 0.0000000 4.2299349 -------------------------- Born effective charges -------------------------- 1 Ca 2.5833404 0.0000000 0.0317829 0.0000000 2.3734607 0.0000000 0.0161631 0.0000000 2.4361616 2 Ca 2.5833404 0.0000000 -0.0317829 0.0000000 2.3734607 0.0000000 -0.0161631 0.0000000 2.4361616 3 Ca 2.5833404 0.0000000 -0.0317829 0.0000000 2.3734607 0.0000000 -0.0161631 0.0000000 2.4361616 4 Ca 2.5833404 0.0000000 0.0317829 0.0000000 2.3734607 0.0000000 0.0161631 0.0000000 2.4361616 5 Tm 3.4736603 0.0000000 -0.1688128 0.0000000 4.1497697 0.0000000 -0.0411596 0.0000000 3.4711713 6 Tm 3.4397116 0.0000000 -0.1895068 0.0000000 3.9057870 0.0000000 -0.0740714 0.0000000 3.9707165 7 Tm 3.4397116 0.0000000 0.1895068 0.0000000 3.9057870 0.0000000 0.0740714 0.0000000 3.9707165 8 Tm 3.4736603 0.0000000 0.1688128 0.0000000 4.1497697 0.0000000 0.0411596 0.0000000 3.4711713 9 Tm 3.4736603 0.0000000 0.1688128 0.0000000 4.1497697 0.0000000 0.0411596 0.0000000 3.4711713 10 Tm 3.4397116 0.0000000 0.1895068 0.0000000 3.9057870 0.0000000 0.0740714 0.0000000 3.9707165 11 Tm 3.4397116 0.0000000 -0.1895068 0.0000000 3.9057870 0.0000000 -0.0740714 0.0000000 3.9707165 12 Tm 3.4736603 0.0000000 -0.1688128 0.0000000 4.1497697 0.0000000 -0.0411596 0.0000000 3.4711713 13 O -1.9775520 0.0000000 -0.4341546 0.0000000 -2.6088673 0.0000000 -0.5770673 0.0000000 -2.9635648 14 O -2.3501041 0.0000000 0.0407227 0.0000000 -2.6383985 0.0000000 0.1445190 0.0000000 -2.3881698 15 O -2.3604394 0.0000000 -0.0087872 0.0000000 -2.5759079 0.0000000 0.0435589 0.0000000 -2.4531964 16 O -2.8086168 0.0000000 0.0170160 0.0000000 -2.6058437 0.0000000 0.0280905 0.0000000 -2.0731185 17 O -2.8086168 0.0000000 -0.0170160 0.0000000 -2.6058437 0.0000000 -0.0280905 0.0000000 -2.0731185 18 O -2.3604394 0.0000000 0.0087872 0.0000000 -2.5759079 0.0000000 -0.0435589 0.0000000 -2.4531964 19 O -2.3501041 0.0000000 -0.0407227 0.0000000 -2.6383985 0.0000000 -0.1445190 0.0000000 -2.3881698 20 O -1.9775520 0.0000000 0.4341546 0.0000000 -2.6088673 0.0000000 0.5770673 0.0000000 -2.9635648 21 O -1.9775520 0.0000000 0.4341546 0.0000000 -2.6088673 0.0000000 0.5770673 0.0000000 -2.9635648 22 O -2.3501041 0.0000000 -0.0407227 0.0000000 -2.6383985 0.0000000 -0.1445190 0.0000000 -2.3881698 23 O -2.3604394 0.0000000 0.0087872 0.0000000 -2.5759079 0.0000000 -0.0435589 0.0000000 -2.4531964 24 O -2.8086168 0.0000000 -0.0170160 0.0000000 -2.6058437 0.0000000 -0.0280905 0.0000000 -2.0731185 25 O -2.8086168 0.0000000 0.0170160 0.0000000 -2.6058437 0.0000000 0.0280905 0.0000000 -2.0731185 26 O -2.3604394 0.0000000 -0.0087872 0.0000000 -2.5759079 0.0000000 0.0435589 0.0000000 -2.4531964 27 O -2.3501041 0.0000000 0.0407227 0.0000000 -2.6383985 0.0000000 0.1445190 0.0000000 -2.3881698 28 O -1.9775520 0.0000000 -0.4341546 0.0000000 -2.6088673 0.0000000 -0.5770673 0.0000000 -2.9635648 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy) 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 ... [ 5 15 4 ] 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: 0.58, Number of G-points: 289, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 1.300 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.399 ( 0.000 0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.217 ( 0.000 0.000 0.000) 0.000 8.413 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.764 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 9.702 ( 0.000 0.000 0.000) 0.000 10.469 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.550 ( 0.000 0.000 0.000) 0.000 11.131 ( 0.000 0.000 0.000) 0.000 11.150 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.261 ( 0.000 0.000 0.000) 0.000 11.422 ( 0.000 0.000 0.000) 0.000 12.170 ( 0.000 0.000 0.000) 0.000 12.172 ( 0.000 0.000 0.000) 0.000 13.177 ( 0.000 0.000 0.000) 0.000 13.267 ( 0.000 0.000 0.000) 0.000 13.420 ( 0.000 0.000 0.000) 0.000 13.550 ( 0.000 0.000 0.000) 0.000 14.239 ( 0.000 0.000 0.000) 0.000 14.258 ( 0.000 0.000 0.000) 0.000 14.300 ( 0.000 0.000 0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.359 ( 0.000 0.000 0.000) 0.000 14.403 ( 0.000 0.000 0.000) 0.000 14.491 ( 0.000 0.000 0.000) 0.000 14.646 ( 0.000 0.000 0.000) 0.000 14.876 ( 0.000 0.000 0.000) 0.000 16.328 ( 0.000 0.000 0.000) 0.000 16.948 ( 0.000 0.000 0.000) 0.000 17.421 ( 0.000 0.000 0.000) 0.000 18.722 ( 0.000 0.000 0.000) 0.000 18.911 ( 0.000 0.000 0.000) 0.000 19.194 ( 0.000 0.000 0.000) 0.000 19.669 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 26.336 0.000 0.000) 26.336 0.564 ( 25.781 0.000 0.000) 25.781 0.875 ( 43.016 0.000 0.000) 43.016 1.640 ( -7.415 0.000 0.000) 7.415 1.769 ( -3.854 0.000 0.000) 3.854 1.914 ( 11.268 0.000 0.000) 11.268 2.104 ( -8.239 0.000 0.000) 8.239 2.235 ( -8.319 0.000 0.000) 8.319 2.258 ( -6.242 0.000 0.000) 6.242 2.517 ( 6.046 0.000 0.000) 6.046 2.662 ( 3.592 0.000 0.000) 3.592 2.676 ( 2.398 0.000 0.000) 2.398 2.811 ( 2.986 0.000 0.000) 2.986 2.998 ( -5.983 0.000 0.000) 5.983 3.015 ( -7.940 0.000 0.000) 7.940 3.253 ( 1.234 0.000 0.000) 1.234 3.315 ( -17.109 0.000 0.000) 17.109 3.356 ( 1.312 0.000 0.000) 1.312 3.436 ( 5.015 0.000 0.000) 5.015 3.487 ( -1.267 0.000 0.000) 1.267 3.682 ( -3.054 0.000 0.000) 3.054 3.703 ( -2.105 0.000 0.000) 2.105 3.750 ( 6.433 0.000 0.000) 6.433 4.245 ( 7.857 0.000 0.000) 7.857 4.319 ( -2.295 0.000 0.000) 2.295 4.678 ( -5.563 0.000 0.000) 5.563 4.895 ( -2.160 0.000 0.000) 2.160 4.998 ( 12.357 0.000 0.000) 12.357 5.034 ( 4.184 0.000 0.000) 4.184 5.415 ( -14.341 0.000 0.000) 14.341 5.505 ( 5.915 0.000 0.000) 5.915 6.120 ( -3.655 0.000 0.000) 3.655 6.567 ( 7.301 0.000 0.000) 7.301 6.692 ( 3.367 0.000 0.000) 3.367 6.836 ( 6.812 0.000 0.000) 6.812 6.971 ( -9.755 0.000 0.000) 9.755 7.304 ( -1.615 0.000 0.000) 1.615 7.439 ( -13.987 0.000 0.000) 13.987 7.498 ( 6.753 0.000 0.000) 6.753 7.838 ( -0.425 0.000 0.000) 0.425 7.930 ( -2.496 0.000 0.000) 2.496 8.056 ( -2.710 0.000 0.000) 2.710 8.391 ( -1.501 0.000 0.000) 1.501 8.399 ( -1.576 0.000 0.000) 1.576 8.617 ( 2.226 0.000 0.000) 2.226 8.854 ( 7.743 0.000 0.000) 7.743 8.861 ( 3.471 0.000 0.000) 3.471 8.886 ( -10.276 0.000 0.000) 10.276 9.093 ( 7.209 0.000 0.000) 7.209 9.351 ( 1.543 0.000 0.000) 1.543 9.417 ( -5.123 0.000 0.000) 5.123 9.592 ( -4.137 0.000 0.000) 4.137 10.023 ( 26.824 0.000 0.000) 26.824 10.487 ( 0.621 0.000 0.000) 0.621 10.519 ( 6.093 0.000 0.000) 6.093 10.543 ( -0.667 0.000 0.000) 0.667 11.135 ( 0.361 0.000 0.000) 0.361 11.150 ( 0.028 0.000 0.000) 0.028 11.190 ( -5.684 0.000 0.000) 5.684 11.222 ( 0.576 0.000 0.000) 0.576 11.470 ( 2.589 0.000 0.000) 2.589 12.129 ( -2.526 0.000 0.000) 2.526 12.136 ( -17.032 0.000 0.000) 17.032 12.313 ( -1.724 0.000 0.000) 1.724 13.149 ( -6.598 0.000 0.000) 6.598 13.223 ( -4.137 0.000 0.000) 4.137 13.466 ( 5.447 0.000 0.000) 5.447 13.552 ( 0.373 0.000 0.000) 0.373 14.262 ( 0.359 0.000 0.000) 0.359 14.296 ( -0.376 0.000 0.000) 0.376 14.325 ( 0.331 0.000 0.000) 0.331 14.355 ( -0.326 0.000 0.000) 0.326 14.412 ( 0.776 0.000 0.000) 0.776 14.529 ( 3.306 0.000 0.000) 3.306 14.548 ( -3.918 0.000 0.000) 3.918 14.792 ( -5.510 0.000 0.000) 5.510 16.456 ( 14.335 0.000 0.000) 14.335 16.954 ( 0.084 0.000 0.000) 0.084 17.433 ( 1.132 0.000 0.000) 1.132 17.503 ( -0.539 0.000 0.000) 0.539 18.870 ( 0.687 0.000 0.000) 0.687 18.910 ( -0.110 0.000 0.000) 0.110 19.211 ( 1.720 0.000 0.000) 1.720 19.588 ( -7.150 0.000 0.000) 7.150 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 20.658 0.000 0.000) 20.658 1.086 ( 23.892 0.000 0.000) 23.892 1.415 ( -14.077 0.000 0.000) 14.077 1.534 ( -18.104 0.000 0.000) 18.104 1.775 ( 42.154 0.000 0.000) 42.154 2.043 ( 2.154 0.000 0.000) 2.154 2.080 ( 3.824 0.000 0.000) 3.824 2.116 ( -2.900 0.000 0.000) 2.900 2.132 ( -5.611 0.000 0.000) 5.611 2.586 ( -30.857 0.000 0.000) 30.857 2.640 ( 5.169 0.000 0.000) 5.169 2.699 ( -0.358 0.000 0.000) 0.358 2.742 ( 4.064 0.000 0.000) 4.064 2.858 ( -6.779 0.000 0.000) 6.779 2.917 ( -0.926 0.000 0.000) 0.926 2.955 ( -5.753 0.000 0.000) 5.753 3.376 ( 7.205 0.000 0.000) 7.205 3.398 ( 2.487 0.000 0.000) 2.487 3.449 ( -2.274 0.000 0.000) 2.274 3.540 ( -8.314 0.000 0.000) 8.314 3.544 ( 5.088 0.000 0.000) 5.088 3.639 ( -3.909 0.000 0.000) 3.909 3.969 ( 13.581 0.000 0.000) 13.581 4.249 ( -9.693 0.000 0.000) 9.693 4.503 ( 9.504 0.000 0.000) 9.504 4.617 ( 12.676 0.000 0.000) 12.676 4.722 ( -11.317 0.000 0.000) 11.317 5.008 ( -18.677 0.000 0.000) 18.677 5.227 ( 5.171 0.000 0.000) 5.171 5.241 ( 6.391 0.000 0.000) 6.391 5.671 ( 10.816 0.000 0.000) 10.816 5.939 ( -12.849 0.000 0.000) 12.849 6.730 ( 6.889 0.000 0.000) 6.889 6.768 ( 2.570 0.000 0.000) 2.570 6.886 ( 1.916 0.000 0.000) 1.916 6.971 ( 2.598 0.000 0.000) 2.598 7.154 ( -8.645 0.000 0.000) 8.645 7.210 ( -6.548 0.000 0.000) 6.548 7.666 ( 9.727 0.000 0.000) 9.727 7.839 ( 0.757 0.000 0.000) 0.757 7.873 ( -2.480 0.000 0.000) 2.480 7.895 ( -11.222 0.000 0.000) 11.222 8.369 ( -0.484 0.000 0.000) 0.484 8.372 ( -0.802 0.000 0.000) 0.802 8.684 ( 3.610 0.000 0.000) 3.610 8.754 ( -3.566 0.000 0.000) 3.566 9.009 ( 10.171 0.000 0.000) 10.171 9.047 ( 10.019 0.000 0.000) 10.019 9.226 ( -2.410 0.000 0.000) 2.410 9.240 ( -10.325 0.000 0.000) 10.325 9.313 ( 2.718 0.000 0.000) 2.718 9.468 ( -7.505 0.000 0.000) 7.505 10.504 ( 0.958 0.000 0.000) 0.958 10.525 ( -0.983 0.000 0.000) 0.983 10.657 ( 29.109 0.000 0.000) 29.109 10.726 ( 11.823 0.000 0.000) 11.823 11.046 ( -6.426 0.000 0.000) 6.426 11.144 ( 0.376 0.000 0.000) 0.376 11.149 ( -0.141 0.000 0.000) 0.141 11.212 ( -5.298 0.000 0.000) 5.298 11.471 ( -1.883 0.000 0.000) 1.883 11.613 ( -22.988 0.000 0.000) 22.988 12.162 ( 6.745 0.000 0.000) 6.745 12.321 ( -4.482 0.000 0.000) 4.482 13.021 ( -1.260 0.000 0.000) 1.260 13.104 ( -6.608 0.000 0.000) 6.608 13.560 ( 2.307 0.000 0.000) 2.307 13.568 ( 0.833 0.000 0.000) 0.833 14.272 ( 0.590 0.000 0.000) 0.590 14.285 ( -0.600 0.000 0.000) 0.600 14.335 ( 0.533 0.000 0.000) 0.533 14.346 ( -0.529 0.000 0.000) 0.529 14.432 ( 1.165 0.000 0.000) 1.165 14.469 ( -2.804 0.000 0.000) 2.804 14.611 ( 4.161 0.000 0.000) 4.161 14.696 ( -4.019 0.000 0.000) 4.019 16.749 ( 11.915 0.000 0.000) 11.915 16.918 ( -4.358 0.000 0.000) 4.358 17.462 ( 1.416 0.000 0.000) 1.416 17.487 ( -1.002 0.000 0.000) 1.002 18.888 ( 0.933 0.000 0.000) 0.933 18.904 ( -0.525 0.000 0.000) 0.525 19.275 ( 4.785 0.000 0.000) 4.785 19.415 ( -8.329 0.000 0.000) 8.329 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 26.426 0.000) 26.426 0.633 ( 0.000 30.722 0.000) 30.722 1.205 ( 0.000 58.455 0.000) 58.455 1.382 ( 0.000 8.703 0.000) 8.703 1.774 ( 0.000 3.317 0.000) 3.317 2.063 ( 0.000 24.348 0.000) 24.348 2.366 ( 0.000 0.743 0.000) 0.743 2.398 ( 0.000 12.657 0.000) 12.657 2.531 ( 0.000 13.244 0.000) 13.244 2.649 ( 0.000 20.564 0.000) 20.564 2.761 ( 0.000 5.597 0.000) 5.597 2.786 ( 0.000 15.839 0.000) 15.839 2.834 ( 0.000 16.936 0.000) 16.936 2.991 ( 0.000 -6.364 0.000) 6.364 3.184 ( 0.000 6.054 0.000) 6.054 3.350 ( 0.000 17.086 0.000) 17.086 3.448 ( 0.000 2.586 0.000) 2.586 3.568 ( 0.000 7.458 0.000) 7.458 3.646 ( 0.000 19.847 0.000) 19.847 3.660 ( 0.000 -0.554 0.000) 0.554 3.792 ( 0.000 14.376 0.000) 14.376 3.887 ( 0.000 22.220 0.000) 22.220 3.960 ( 0.000 21.810 0.000) 21.810 4.216 ( 0.000 4.302 0.000) 4.302 4.454 ( 0.000 1.353 0.000) 1.353 4.511 ( 0.000 -0.479 0.000) 0.479 4.556 ( 0.000 2.302 0.000) 2.302 4.909 ( 0.000 5.568 0.000) 5.568 4.910 ( 0.000 -2.365 0.000) 2.365 5.017 ( 0.000 -2.048 0.000) 2.048 5.541 ( 0.000 -3.941 0.000) 3.941 6.066 ( 0.000 -6.858 0.000) 6.858 6.463 ( 0.000 -1.529 0.000) 1.529 6.678 ( 0.000 0.970 0.000) 0.970 6.678 ( 0.000 1.976 0.000) 1.976 7.049 ( 0.000 -10.073 0.000) 10.073 7.213 ( 0.000 -5.830 0.000) 5.830 7.265 ( 0.000 -8.227 0.000) 8.227 7.536 ( 0.000 -6.619 0.000) 6.619 7.865 ( 0.000 -13.264 0.000) 13.264 8.106 ( 0.000 -7.328 0.000) 7.328 8.291 ( 0.000 25.216 0.000) 25.216 8.467 ( 0.000 3.559 0.000) 3.559 8.576 ( 0.000 -2.180 0.000) 2.180 8.582 ( 0.000 11.990 0.000) 11.990 8.799 ( 0.000 -2.254 0.000) 2.254 9.071 ( 0.000 25.149 0.000) 25.149 9.180 ( 0.000 -1.812 0.000) 1.812 9.213 ( 0.000 -1.590 0.000) 1.590 9.266 ( 0.000 22.205 0.000) 22.205 9.643 ( 0.000 15.455 0.000) 15.455 9.644 ( 0.000 -3.088 0.000) 3.088 9.754 ( 0.000 10.721 0.000) 10.721 10.438 ( 0.000 -1.580 0.000) 1.580 10.542 ( 0.000 4.824 0.000) 4.824 10.622 ( 0.000 8.149 0.000) 8.149 11.010 ( 0.000 -9.302 0.000) 9.302 11.053 ( 0.000 -4.794 0.000) 4.794 11.319 ( 0.000 5.574 0.000) 5.574 11.349 ( 0.000 8.336 0.000) 8.336 11.422 ( 0.000 -1.418 0.000) 1.418 12.136 ( 0.000 -3.355 0.000) 3.355 12.212 ( 0.000 3.685 0.000) 3.685 13.118 ( 0.000 -11.140 0.000) 11.140 13.189 ( 0.000 -3.060 0.000) 3.060 13.239 ( 0.000 -2.605 0.000) 2.605 13.512 ( 0.000 -3.959 0.000) 3.959 13.713 ( 0.000 14.682 0.000) 14.682 13.831 ( 0.000 -27.363 0.000) 27.363 14.172 ( 0.000 -7.215 0.000) 7.215 14.239 ( 0.000 -5.965 0.000) 5.965 14.342 ( 0.000 0.382 0.000) 0.382 14.452 ( 0.000 3.330 0.000) 3.330 14.518 ( 0.000 0.674 0.000) 0.674 14.685 ( 0.000 -1.496 0.000) 1.496 14.812 ( 0.000 -6.037 0.000) 6.037 16.490 ( 0.000 13.286 0.000) 13.286 16.979 ( 0.000 2.919 0.000) 2.919 17.398 ( 0.000 -2.019 0.000) 2.019 17.672 ( 0.000 -2.214 0.000) 2.214 18.657 ( 0.000 -6.264 0.000) 6.264 18.830 ( 0.000 -7.857 0.000) 7.857 19.106 ( 0.000 -8.493 0.000) 8.493 19.532 ( 0.000 -13.099 0.000) 13.099 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 20.319 17.360 0.000) 26.725 0.835 ( 16.141 22.172 0.000) 27.425 1.434 ( 16.893 34.824 0.000) 38.705 1.610 ( 8.467 9.991 0.000) 13.096 1.932 ( 13.011 4.245 0.000) 13.686 2.014 ( -7.511 20.390 0.000) 21.730 2.242 ( -5.798 8.147 0.000) 9.999 2.325 ( -4.816 12.994 0.000) 13.857 2.468 ( -4.670 17.706 0.000) 18.312 2.693 ( 3.799 15.524 0.000) 15.982 2.794 ( 1.095 5.722 0.000) 5.826 2.853 ( 2.090 8.522 0.000) 8.774 2.862 ( 2.221 16.986 0.000) 17.130 2.988 ( -0.735 0.220 0.000) 0.767 3.047 ( -9.235 4.310 0.000) 10.191 3.286 ( -11.755 4.432 0.000) 12.563 3.338 ( -1.109 12.385 0.000) 12.434 3.640 ( 4.196 13.118 0.000) 13.773 3.652 ( -4.426 4.697 0.000) 6.454 3.701 ( 3.357 19.000 0.000) 19.295 3.766 ( 0.972 16.645 0.000) 16.673 3.845 ( 0.030 18.998 0.000) 18.998 3.936 ( -2.392 21.424 0.000) 21.557 4.244 ( 4.171 -1.666 0.000) 4.492 4.291 ( -0.770 0.942 0.000) 1.217 4.612 ( -3.821 -4.245 0.000) 5.711 4.924 ( -5.589 1.977 0.000) 5.928 4.958 ( 18.139 -4.176 0.000) 18.614 5.029 ( 6.654 0.628 0.000) 6.684 5.094 ( 18.749 -11.920 0.000) 22.218 5.383 ( -13.665 -3.009 0.000) 13.992 6.003 ( -6.830 -10.134 0.000) 12.221 6.550 ( 7.255 -1.555 0.000) 7.419 6.692 ( 2.850 0.707 0.000) 2.936 6.790 ( 7.316 -1.081 0.000) 7.396 6.899 ( -7.332 -5.964 0.000) 9.452 7.241 ( -0.907 -5.243 0.000) 5.321 7.370 ( -12.632 -5.300 0.000) 13.699 7.377 ( 8.503 -8.261 0.000) 11.855 7.894 ( 0.660 -11.569 0.000) 11.587 8.208 ( 5.309 3.352 0.000) 6.279 8.272 ( -1.549 26.052 0.000) 26.098 8.429 ( -1.773 0.298 0.000) 1.797 8.532 ( -5.638 15.984 0.000) 16.949 8.590 ( 0.858 0.146 0.000) 0.870 8.837 ( -13.969 -4.438 0.000) 14.657 8.846 ( 4.926 -0.468 0.000) 4.948 9.084 ( 2.944 23.191 0.000) 23.377 9.318 ( 4.786 19.594 0.000) 20.170 9.358 ( 0.291 0.436 0.000) 0.524 9.578 ( -5.307 13.823 0.000) 14.806 9.700 ( -4.511 10.218 0.000) 11.170 9.931 ( 22.920 -4.669 0.000) 23.391 10.504 ( 6.342 -1.008 0.000) 6.421 10.578 ( 3.640 6.021 0.000) 7.036 10.611 ( -0.574 6.140 0.000) 6.166 11.004 ( -4.083 -4.771 0.000) 6.280 11.028 ( 2.096 -7.345 0.000) 7.638 11.222 ( -7.235 1.453 0.000) 7.379 11.339 ( 0.783 6.783 0.000) 6.828 11.485 ( 3.237 1.889 0.000) 3.748 12.167 ( -2.172 -2.791 0.000) 3.537 12.183 ( -1.465 4.498 0.000) 4.730 12.623 ( -30.452 12.296 0.000) 32.840 13.135 ( -6.061 -2.124 0.000) 6.422 13.200 ( -3.863 -2.359 0.000) 4.526 13.514 ( 0.463 -3.667 0.000) 3.696 13.568 ( -0.431 6.400 0.000) 6.415 13.950 ( 3.588 -18.891 0.000) 19.229 14.092 ( -4.210 -13.325 0.000) 13.974 14.229 ( -6.092 -6.468 0.000) 8.886 14.304 ( 1.413 -0.227 0.000) 1.431 14.423 ( 0.381 -0.261 0.000) 0.462 14.599 ( 5.535 2.908 0.000) 6.252 14.622 ( -3.341 -1.861 0.000) 3.824 14.857 ( 0.293 1.547 0.000) 1.574 16.598 ( 9.948 11.368 0.000) 15.106 16.987 ( 0.258 3.048 0.000) 3.059 17.414 ( 1.479 -1.716 0.000) 2.266 17.569 ( -4.651 2.668 0.000) 5.362 18.740 ( 3.742 -9.997 0.000) 10.674 18.828 ( -0.185 -7.910 0.000) 7.913 19.121 ( 1.527 -8.656 0.000) 8.790 19.459 ( -6.452 -12.374 0.000) 13.955 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 15.518 13.193 0.000) 20.368 1.231 ( 20.166 12.124 0.000) 23.530 1.510 ( -5.334 7.567 0.000) 9.258 1.722 ( -17.841 14.275 0.000) 22.849 1.994 ( 25.625 15.889 0.000) 30.151 2.165 ( 8.539 14.420 0.000) 16.759 2.199 ( -1.519 8.478 0.000) 8.613 2.279 ( 1.504 20.150 0.000) 20.206 2.367 ( -4.678 21.020 0.000) 21.535 2.616 ( -23.134 5.510 0.000) 23.781 2.790 ( 3.986 12.450 0.000) 13.073 2.819 ( -0.764 6.944 0.000) 6.986 2.907 ( 0.869 8.874 0.000) 8.917 2.931 ( 1.418 8.345 0.000) 8.465 2.954 ( -2.228 11.078 0.000) 11.300 3.046 ( -8.345 8.888 0.000) 12.192 3.390 ( 5.401 7.098 0.000) 8.919 3.526 ( -6.987 4.673 0.000) 8.406 3.706 ( 2.063 24.869 0.000) 24.954 3.746 ( -1.833 22.669 0.000) 22.743 3.766 ( 4.400 16.925 0.000) 17.487 3.863 ( -4.357 19.446 0.000) 19.928 3.982 ( 10.990 4.878 0.000) 12.024 4.217 ( -8.632 -1.582 0.000) 8.776 4.486 ( 11.989 -1.824 0.000) 12.127 4.602 ( 11.469 -0.202 0.000) 11.471 4.729 ( -11.627 0.688 0.000) 11.648 4.978 ( -18.731 -2.592 0.000) 18.910 5.225 ( 4.333 0.042 0.000) 4.333 5.225 ( 6.360 -1.282 0.000) 6.488 5.450 ( 15.956 -14.111 0.000) 21.301 5.774 ( -14.337 -12.707 0.000) 19.158 6.710 ( 6.701 -1.772 0.000) 6.932 6.754 ( 1.916 -0.948 0.000) 2.138 6.840 ( 1.706 -4.259 0.000) 4.588 6.912 ( 1.038 -5.068 0.000) 5.173 7.131 ( -6.034 -1.111 0.000) 6.136 7.173 ( -4.947 -2.716 0.000) 5.643 7.578 ( 10.854 -6.037 0.000) 12.420 7.806 ( -9.340 -7.572 0.000) 12.024 8.242 ( -0.950 27.252 0.000) 27.268 8.243 ( -0.831 25.956 0.000) 25.969 8.417 ( 0.166 1.602 0.000) 1.611 8.430 ( -1.828 4.602 0.000) 4.952 8.616 ( 1.819 -2.770 0.000) 3.314 8.672 ( -4.012 -5.583 0.000) 6.875 9.007 ( 10.229 0.200 0.000) 10.231 9.212 ( 5.083 13.651 0.000) 14.567 9.243 ( -6.542 2.778 0.000) 7.107 9.394 ( -4.538 14.087 0.000) 14.799 9.475 ( 2.273 14.977 0.000) 15.149 9.589 ( -5.821 11.038 0.000) 12.479 10.390 ( 15.178 -6.544 0.000) 16.529 10.548 ( -3.072 1.200 0.000) 3.298 10.715 ( 9.400 2.043 0.000) 9.620 10.735 ( 10.730 1.299 0.000) 10.808 10.916 ( -3.530 -7.878 0.000) 8.633 11.031 ( -10.622 -0.901 0.000) 10.660 11.158 ( 13.121 2.091 0.000) 13.286 11.382 ( 1.674 5.738 0.000) 5.977 11.503 ( -1.339 3.256 0.000) 3.520 11.723 ( -29.347 6.913 0.000) 30.150 12.227 ( 6.417 5.036 0.000) 8.157 12.375 ( -4.859 4.052 0.000) 6.326 13.017 ( -1.684 -0.350 0.000) 1.720 13.087 ( -6.133 -1.594 0.000) 6.336 13.538 ( 1.796 -2.711 0.000) 3.252 13.572 ( -0.816 0.221 0.000) 0.845 13.992 ( 0.979 -19.702 0.000) 19.726 14.023 ( -2.356 -18.468 0.000) 18.618 14.190 ( 2.287 -7.805 0.000) 8.134 14.264 ( -3.718 -2.619 0.000) 4.548 14.485 ( 3.851 1.687 0.000) 4.204 14.558 ( -3.131 1.963 0.000) 3.696 14.718 ( 5.562 4.147 0.000) 6.937 14.817 ( -3.658 4.519 0.000) 5.814 16.822 ( 9.643 6.466 0.000) 11.610 16.960 ( -3.527 3.881 0.000) 5.244 17.454 ( 2.149 -0.819 0.000) 2.299 17.501 ( -2.454 0.748 0.000) 2.566 18.793 ( 1.757 -8.846 0.000) 9.019 18.819 ( -0.790 -8.157 0.000) 8.195 19.178 ( 4.230 -9.344 0.000) 10.257 19.303 ( -7.459 -10.764 0.000) 13.095 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 23.661 0.000) 23.661 1.231 ( 0.000 28.067 0.000) 28.067 1.663 ( 0.000 18.695 0.000) 18.695 1.883 ( 0.000 7.533 0.000) 7.533 2.345 ( 0.000 53.381 0.000) 53.381 2.411 ( 0.000 3.512 0.000) 3.512 2.528 ( 0.000 2.666 0.000) 2.666 2.656 ( 0.000 28.292 0.000) 28.292 2.770 ( 0.000 8.447 0.000) 8.447 2.892 ( 0.000 -2.541 0.000) 2.541 3.068 ( 0.000 22.485 0.000) 22.485 3.114 ( 0.000 11.520 0.000) 11.520 3.155 ( 0.000 26.445 0.000) 26.445 3.259 ( 0.000 22.895 0.000) 22.895 3.434 ( 0.000 18.552 0.000) 18.552 3.507 ( 0.000 5.427 0.000) 5.427 3.646 ( 0.000 -0.476 0.000) 0.476 3.733 ( 0.000 14.442 0.000) 14.442 3.807 ( 0.000 26.167 0.000) 26.167 4.039 ( 0.000 7.061 0.000) 7.061 4.170 ( 0.000 27.354 0.000) 27.354 4.461 ( 0.000 13.057 0.000) 13.057 4.476 ( 0.000 13.758 0.000) 13.758 4.516 ( 0.000 12.644 0.000) 12.644 4.520 ( 0.000 36.311 0.000) 36.311 4.539 ( 0.000 12.629 0.000) 12.629 4.694 ( 0.000 17.973 0.000) 17.973 4.842 ( 0.000 -4.109 0.000) 4.109 4.969 ( 0.000 0.089 0.000) 0.089 5.096 ( 0.000 11.878 0.000) 11.878 5.434 ( 0.000 -6.327 0.000) 6.327 5.887 ( 0.000 -9.952 0.000) 9.952 6.420 ( 0.000 -2.685 0.000) 2.685 6.703 ( 0.000 1.307 0.000) 1.307 6.736 ( 0.000 3.569 0.000) 3.569 6.824 ( 0.000 -11.093 0.000) 11.093 7.093 ( 0.000 -5.229 0.000) 5.229 7.101 ( 0.000 -8.205 0.000) 8.205 7.385 ( 0.000 -7.556 0.000) 7.556 7.584 ( 0.000 -14.148 0.000) 14.148 7.974 ( 0.000 -5.488 0.000) 5.488 8.481 ( 0.000 -1.175 0.000) 1.175 8.492 ( 0.000 -5.951 0.000) 5.951 8.687 ( 0.000 -2.784 0.000) 2.784 8.796 ( 0.000 2.024 0.000) 2.024 8.812 ( 0.000 21.587 0.000) 21.587 9.175 ( 0.000 -2.039 0.000) 2.039 9.265 ( 0.000 10.795 0.000) 10.795 9.639 ( 0.000 28.430 0.000) 28.430 9.691 ( 0.000 9.171 0.000) 9.171 9.786 ( 0.000 25.065 0.000) 25.065 10.001 ( 0.000 11.743 0.000) 11.743 10.037 ( 0.000 23.014 0.000) 23.014 10.421 ( 0.000 0.428 0.000) 0.428 10.639 ( 0.000 4.571 0.000) 4.571 10.806 ( 0.000 9.039 0.000) 9.039 10.867 ( 0.000 -2.298 0.000) 2.298 10.987 ( 0.000 -1.448 0.000) 1.448 11.347 ( 0.000 -5.469 0.000) 5.469 11.480 ( 0.000 10.318 0.000) 10.318 11.523 ( 0.000 8.639 0.000) 8.639 12.041 ( 0.000 -5.781 0.000) 5.781 12.301 ( 0.000 4.578 0.000) 4.578 12.869 ( 0.000 -11.972 0.000) 11.972 13.147 ( 0.000 -2.777 0.000) 2.777 13.169 ( 0.000 -4.027 0.000) 4.027 13.340 ( 0.000 -17.930 0.000) 17.930 13.389 ( 0.000 -7.746 0.000) 7.746 13.996 ( 0.000 -9.737 0.000) 9.737 14.005 ( 0.000 13.990 0.000) 13.990 14.119 ( 0.000 -6.281 0.000) 6.281 14.323 ( 0.000 -3.500 0.000) 3.500 14.485 ( 0.000 -3.894 0.000) 3.894 14.493 ( 0.000 -0.152 0.000) 0.152 14.565 ( 0.000 -8.186 0.000) 8.186 14.649 ( 0.000 -9.469 0.000) 9.469 16.747 ( 0.000 10.255 0.000) 10.255 17.053 ( 0.000 4.060 0.000) 4.060 17.353 ( 0.000 -2.103 0.000) 2.103 17.608 ( 0.000 -4.015 0.000) 4.015 18.477 ( 0.000 -11.291 0.000) 11.291 18.606 ( 0.000 -13.862 0.000) 13.862 18.862 ( 0.000 -15.176 0.000) 15.176 19.174 ( 0.000 -21.208 0.000) 21.208 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 10.998 22.071 0.000) 24.659 1.329 ( 8.588 25.067 0.000) 26.498 1.694 ( 4.111 12.319 0.000) 12.987 2.027 ( 8.691 10.189 0.000) 13.393 2.305 ( -9.196 8.503 0.000) 12.525 2.498 ( 13.321 47.210 0.000) 49.053 2.519 ( -9.193 12.592 0.000) 15.591 2.589 ( 2.477 8.583 0.000) 8.933 2.766 ( 0.368 8.709 0.000) 8.717 2.910 ( 2.882 4.302 0.000) 5.178 2.970 ( -4.956 14.782 0.000) 15.590 3.108 ( -3.250 22.794 0.000) 23.024 3.218 ( -11.497 14.695 0.000) 18.658 3.256 ( 5.850 17.930 0.000) 18.860 3.308 ( 0.715 23.853 0.000) 23.864 3.444 ( -5.315 13.513 0.000) 14.521 3.705 ( 0.109 2.986 0.000) 2.988 3.747 ( -2.962 20.147 0.000) 20.363 3.767 ( 1.742 12.679 0.000) 12.798 4.128 ( 9.716 7.607 0.000) 12.339 4.232 ( 4.973 28.336 0.000) 28.769 4.233 ( -8.168 6.628 0.000) 10.519 4.463 ( -3.831 22.819 0.000) 23.138 4.477 ( -3.213 36.443 0.000) 36.584 4.502 ( 0.355 21.550 0.000) 21.553 4.618 ( -2.416 10.958 0.000) 11.221 4.894 ( 18.248 -1.042 0.000) 18.278 4.936 ( -4.680 1.041 0.000) 4.794 5.015 ( 11.935 1.675 0.000) 12.052 5.132 ( 2.783 9.351 0.000) 9.757 5.304 ( -10.860 -4.015 0.000) 11.578 5.775 ( -9.583 -11.189 0.000) 14.732 6.506 ( 7.202 -2.762 0.000) 7.714 6.718 ( 1.400 1.444 0.000) 2.011 6.761 ( -3.874 -7.440 0.000) 8.388 6.776 ( 2.707 -0.490 0.000) 2.751 7.127 ( 1.149 -5.557 0.000) 5.674 7.203 ( 9.201 -8.636 0.000) 12.619 7.257 ( -8.864 -5.149 0.000) 10.251 7.635 ( 2.182 -13.604 0.000) 13.778 8.129 ( 12.585 -6.150 0.000) 14.007 8.347 ( -3.920 -5.575 0.000) 6.815 8.646 ( 4.959 3.084 0.000) 5.839 8.658 ( -4.726 -6.421 0.000) 7.973 8.783 ( -1.219 15.403 0.000) 15.452 8.850 ( 4.430 5.136 0.000) 6.782 8.907 ( -11.544 12.230 0.000) 16.818 9.381 ( -0.328 2.589 0.000) 2.610 9.649 ( 0.872 28.770 0.000) 28.784 9.775 ( -1.067 20.389 0.000) 20.417 9.814 ( 7.245 11.290 0.000) 13.414 9.937 ( -4.730 11.226 0.000) 12.182 10.077 ( 6.921 20.657 0.000) 21.786 10.507 ( 7.290 2.211 0.000) 7.618 10.652 ( 1.786 1.162 0.000) 2.131 10.739 ( -3.913 5.006 0.000) 6.354 10.944 ( 7.492 0.731 0.000) 7.528 10.982 ( -2.234 2.960 0.000) 3.709 11.223 ( -8.095 -1.162 0.000) 8.178 11.490 ( -1.607 7.837 0.000) 8.001 11.579 ( 4.961 7.842 0.000) 9.280 12.063 ( -0.860 -7.154 0.000) 7.206 12.274 ( -1.343 3.948 0.000) 4.170 12.673 ( -17.542 -3.711 0.000) 17.931 13.069 ( -3.836 -3.922 0.000) 5.486 13.133 ( -3.401 -3.973 0.000) 5.230 13.396 ( 4.058 -13.426 0.000) 14.026 13.407 ( 1.903 -6.669 0.000) 6.935 13.832 ( -9.021 -11.177 0.000) 14.364 13.963 ( -3.918 10.944 0.000) 11.624 14.146 ( -14.245 -2.333 0.000) 14.435 14.284 ( 8.175 -3.281 0.000) 8.808 14.382 ( -4.542 -3.378 0.000) 5.660 14.477 ( 2.068 -10.736 0.000) 10.933 14.593 ( 5.056 -3.509 0.000) 6.155 14.797 ( 3.801 -6.679 0.000) 7.685 16.821 ( 6.342 9.074 0.000) 11.071 17.063 ( 0.617 4.174 0.000) 4.220 17.374 ( 1.945 -2.014 0.000) 2.800 17.567 ( -3.246 -2.348 0.000) 4.006 18.509 ( 2.435 -12.801 0.000) 13.030 18.604 ( -0.253 -13.845 0.000) 13.847 18.874 ( 1.126 -15.333 0.000) 15.374 19.119 ( -4.835 -20.225 0.000) 20.795 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 20.456 15.737 0.000) 25.809 1.537 ( 9.898 19.731 0.000) 22.075 1.712 ( -2.862 12.782 0.000) 13.098 1.992 ( -19.864 12.222 0.000) 23.322 2.200 ( 8.030 9.853 0.000) 12.711 2.358 ( -6.828 6.857 0.000) 9.677 2.651 ( 3.268 8.232 0.000) 8.857 2.694 ( 1.252 19.701 0.000) 19.741 2.877 ( 8.862 30.816 0.000) 32.065 2.886 ( -1.151 13.709 0.000) 13.757 2.962 ( 0.398 17.394 0.000) 17.399 2.970 ( -8.023 6.131 0.000) 10.098 3.093 ( 2.944 19.593 0.000) 19.813 3.255 ( -7.672 19.346 0.000) 20.812 3.344 ( 1.583 23.454 0.000) 23.507 3.360 ( -0.414 20.544 0.000) 20.549 3.668 ( -2.001 8.541 0.000) 8.772 3.668 ( -2.509 17.695 0.000) 17.872 3.883 ( 8.304 2.960 0.000) 8.816 4.076 ( -8.788 1.215 0.000) 8.872 4.338 ( 4.241 31.364 0.000) 31.650 4.358 ( 3.926 31.748 0.000) 31.990 4.426 ( -0.824 32.248 0.000) 32.259 4.445 ( 5.542 4.211 0.000) 6.961 4.481 ( 2.677 23.110 0.000) 23.265 4.667 ( 7.700 8.847 0.000) 11.728 4.759 ( -12.225 3.706 0.000) 12.774 4.936 ( -16.788 -0.442 0.000) 16.793 5.215 ( 7.408 1.530 0.000) 7.564 5.254 ( 14.263 -4.922 0.000) 15.088 5.257 ( 2.072 4.551 0.000) 5.001 5.539 ( -12.551 -9.434 0.000) 15.701 6.662 ( 6.656 -2.984 0.000) 7.295 6.727 ( 0.950 -6.423 0.000) 6.493 6.738 ( -0.222 -0.698 0.000) 0.733 6.785 ( -2.946 -6.873 0.000) 7.478 7.122 ( -2.494 0.067 0.000) 2.495 7.125 ( -1.078 -1.814 0.000) 2.110 7.423 ( 10.829 -9.390 0.000) 14.333 7.607 ( -5.559 -11.829 0.000) 13.070 8.328 ( 1.953 -6.237 0.000) 6.535 8.376 ( 5.354 -5.014 0.000) 7.335 8.500 ( -2.260 -3.210 0.000) 3.926 8.628 ( -5.993 3.528 0.000) 6.954 8.788 ( 1.368 19.126 0.000) 19.175 8.810 ( -0.953 16.648 0.000) 16.675 9.008 ( 10.272 -0.260 0.000) 10.276 9.242 ( -10.895 0.277 0.000) 10.898 9.680 ( 2.290 26.888 0.000) 26.986 9.737 ( -2.611 19.057 0.000) 19.235 9.852 ( -0.904 20.044 0.000) 20.065 9.858 ( -2.116 13.891 0.000) 14.051 10.356 ( 14.195 4.874 0.000) 15.008 10.553 ( -5.017 0.399 0.000) 5.033 10.731 ( 5.865 0.819 0.000) 5.921 10.799 ( 8.947 4.616 0.000) 10.068 10.885 ( -5.332 4.002 0.000) 6.667 11.027 ( -9.085 0.446 0.000) 9.096 11.223 ( 18.240 4.169 0.000) 18.711 11.489 ( 0.344 5.502 0.000) 5.512 11.612 ( -1.475 7.296 0.000) 7.443 11.790 ( -23.301 -0.526 0.000) 23.307 12.312 ( 5.224 2.604 0.000) 5.837 12.426 ( -5.149 0.396 0.000) 5.164 13.008 ( -1.342 -0.502 0.000) 1.433 13.045 ( -4.170 -2.296 0.000) 4.761 13.472 ( 4.123 -3.566 0.000) 5.451 13.486 ( 3.873 -8.638 0.000) 9.466 13.673 ( -5.524 -14.278 0.000) 15.309 13.720 ( -11.557 -5.462 0.000) 12.783 14.114 ( 5.316 0.000 0.000) 5.316 14.242 ( -6.238 -0.342 0.000) 6.247 14.450 ( 4.831 -5.066 0.000) 7.000 14.504 ( -0.404 -6.497 0.000) 6.509 14.703 ( 5.418 -5.393 0.000) 7.645 14.798 ( -2.945 -5.874 0.000) 6.571 16.965 ( 6.338 6.554 0.000) 9.117 17.054 ( -2.078 4.816 0.000) 5.245 17.428 ( 3.034 -1.743 0.000) 3.499 17.495 ( -3.412 -1.490 0.000) 3.723 18.558 ( 2.089 -13.785 0.000) 13.942 18.591 ( -1.049 -13.854 0.000) 13.894 18.914 ( 2.976 -16.158 0.000) 16.430 19.003 ( -5.437 -18.042 0.000) 18.843 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.000 20.206 0.000) 20.206 1.758 ( 0.000 23.760 0.000) 23.760 2.066 ( 0.000 10.353 0.000) 10.353 2.096 ( 0.000 22.713 0.000) 22.713 2.492 ( 0.000 3.910 0.000) 3.910 2.524 ( 0.000 -1.118 0.000) 1.118 2.885 ( 0.000 2.130 0.000) 2.130 2.890 ( 0.000 4.489 0.000) 4.489 3.094 ( 0.000 10.707 0.000) 10.707 3.210 ( 0.000 0.471 0.000) 0.471 3.325 ( 0.000 39.507 0.000) 39.507 3.521 ( 0.000 21.434 0.000) 21.434 3.532 ( 0.000 7.332 0.000) 7.332 3.636 ( 0.000 12.579 0.000) 12.579 3.713 ( 0.000 10.718 0.000) 10.718 3.782 ( 0.000 22.454 0.000) 22.454 3.892 ( 0.000 24.676 0.000) 24.676 4.154 ( 0.000 5.037 0.000) 5.037 4.186 ( 0.000 26.974 0.000) 26.974 4.355 ( 0.000 26.964 0.000) 26.964 4.517 ( 0.000 3.711 0.000) 3.711 4.566 ( 0.000 6.148 0.000) 6.148 4.570 ( 0.000 4.721 0.000) 4.721 4.773 ( 0.000 0.670 0.000) 0.670 4.825 ( 0.000 17.156 0.000) 17.156 5.116 ( 0.000 14.513 0.000) 14.513 5.124 ( 0.000 33.224 0.000) 33.224 5.231 ( 0.000 28.976 0.000) 28.976 5.278 ( 0.000 -5.529 0.000) 5.529 5.339 ( 0.000 36.358 0.000) 36.358 5.461 ( 0.000 22.110 0.000) 22.110 5.720 ( 0.000 -2.710 0.000) 2.710 6.355 ( 0.000 -3.536 0.000) 3.536 6.615 ( 0.000 -9.397 0.000) 9.397 6.718 ( 0.000 -0.101 0.000) 0.101 6.815 ( 0.000 4.015 0.000) 4.015 6.939 ( 0.000 -7.320 0.000) 7.320 7.017 ( 0.000 -2.293 0.000) 2.293 7.248 ( 0.000 -5.724 0.000) 5.724 7.301 ( 0.000 -13.619 0.000) 13.619 7.901 ( 0.000 -1.119 0.000) 1.119 8.369 ( 0.000 -5.065 0.000) 5.065 8.443 ( 0.000 -1.126 0.000) 1.126 8.568 ( 0.000 -6.626 0.000) 6.626 8.860 ( 0.000 3.850 0.000) 3.850 9.105 ( 0.000 7.744 0.000) 7.744 9.133 ( 0.000 -2.142 0.000) 2.142 9.490 ( 0.000 8.507 0.000) 8.507 9.968 ( 0.000 14.988 0.000) 14.988 10.060 ( 0.000 7.653 0.000) 7.653 10.117 ( 0.000 8.486 0.000) 8.486 10.238 ( 0.000 14.659 0.000) 14.659 10.488 ( 0.000 7.005 0.000) 7.005 10.563 ( 0.000 24.554 0.000) 24.554 10.736 ( 0.000 5.439 0.000) 5.439 10.949 ( 0.000 4.236 0.000) 4.236 10.977 ( 0.000 12.130 0.000) 12.130 11.017 ( 0.000 5.390 0.000) 5.390 11.258 ( 0.000 -0.126 0.000) 0.126 11.698 ( 0.000 8.625 0.000) 8.625 11.722 ( 0.000 12.636 0.000) 12.636 11.914 ( 0.000 -6.511 0.000) 6.511 12.385 ( 0.000 3.745 0.000) 3.745 12.646 ( 0.000 -9.810 0.000) 9.810 13.055 ( 0.000 -6.694 0.000) 6.694 13.089 ( 0.000 -3.509 0.000) 3.509 13.178 ( 0.000 1.966 0.000) 1.966 13.236 ( 0.000 -6.160 0.000) 6.160 13.798 ( 0.000 -9.323 0.000) 9.323 13.946 ( 0.000 -11.692 0.000) 11.692 14.116 ( 0.000 -16.296 0.000) 16.296 14.260 ( 0.000 9.676 0.000) 9.676 14.380 ( 0.000 -5.958 0.000) 5.958 14.424 ( 0.000 -6.842 0.000) 6.842 14.470 ( 0.000 -6.214 0.000) 6.214 14.478 ( 0.000 -0.145 0.000) 0.145 16.878 ( 0.000 2.899 0.000) 2.899 17.137 ( 0.000 4.210 0.000) 4.210 17.324 ( 0.000 -0.712 0.000) 0.712 17.514 ( 0.000 -5.138 0.000) 5.138 18.215 ( 0.000 -14.131 0.000) 14.131 18.290 ( 0.000 -16.816 0.000) 16.816 18.513 ( 0.000 -18.765 0.000) 18.765 18.718 ( 0.000 -22.825 0.000) 22.825 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 8.375 19.853 0.000) 21.547 1.812 ( 4.822 22.116 0.000) 22.636 1.985 ( 0.452 14.990 0.000) 14.997 2.280 ( 9.058 15.218 0.000) 17.710 2.463 ( -0.191 6.259 0.000) 6.262 2.613 ( 4.468 1.200 0.000) 4.627 2.674 ( -17.136 2.767 0.000) 17.358 2.871 ( -1.221 4.144 0.000) 4.320 2.985 ( -3.186 3.337 0.000) 4.614 3.325 ( -14.154 5.367 0.000) 15.138 3.355 ( 7.230 10.754 0.000) 12.958 3.407 ( 7.245 35.894 0.000) 36.618 3.560 ( 1.991 16.167 0.000) 16.289 3.650 ( -2.506 17.635 0.000) 17.813 3.751 ( 3.523 12.585 0.000) 13.069 3.812 ( 2.170 24.075 0.000) 24.173 3.832 ( -4.332 17.960 0.000) 18.475 4.114 ( -5.970 19.573 0.000) 20.463 4.188 ( 3.035 3.417 0.000) 4.570 4.239 ( -7.059 24.105 0.000) 25.117 4.419 ( -6.296 10.151 0.000) 11.945 4.633 ( 6.535 10.625 0.000) 12.474 4.668 ( 4.752 6.816 0.000) 8.309 4.882 ( 7.350 5.942 0.000) 9.452 4.958 ( 10.662 10.110 0.000) 14.693 5.095 ( -6.641 9.878 0.000) 11.902 5.115 ( -4.610 11.528 0.000) 12.415 5.123 ( -0.033 34.398 0.000) 34.398 5.258 ( -2.737 18.516 0.000) 18.717 5.389 ( 4.468 33.198 0.000) 33.497 5.494 ( 2.185 23.856 0.000) 23.956 5.602 ( -9.060 -2.310 0.000) 9.350 6.440 ( 7.158 -3.588 0.000) 8.007 6.606 ( -1.421 -7.465 0.000) 7.599 6.707 ( -1.531 -2.516 0.000) 2.945 6.799 ( -1.682 2.725 0.000) 3.202 6.993 ( 5.880 -8.220 0.000) 10.107 7.074 ( 4.171 -3.326 0.000) 5.334 7.173 ( -3.831 -3.391 0.000) 5.116 7.353 ( 1.817 -13.934 0.000) 14.052 8.030 ( 11.270 -2.674 0.000) 11.583 8.264 ( -3.490 -1.657 0.000) 3.863 8.526 ( -4.397 -5.255 0.000) 6.852 8.644 ( 11.613 -2.634 0.000) 11.908 8.825 ( -3.551 1.217 0.000) 3.754 9.070 ( -3.001 3.723 0.000) 4.782 9.101 ( -0.073 8.277 0.000) 8.277 9.450 ( -6.159 2.789 0.000) 6.761 10.039 ( 5.123 13.091 0.000) 14.057 10.045 ( 0.075 6.161 0.000) 6.161 10.156 ( 3.440 12.263 0.000) 12.736 10.212 ( -0.933 18.358 0.000) 18.381 10.541 ( -0.389 19.659 0.000) 19.663 10.616 ( 7.860 8.358 0.000) 11.473 10.696 ( -2.419 4.725 0.000) 5.308 10.806 ( -5.833 2.716 0.000) 6.435 11.043 ( 4.717 8.235 0.000) 9.490 11.108 ( 1.905 8.331 0.000) 8.546 11.240 ( -0.319 5.894 0.000) 5.902 11.645 ( -3.388 7.337 0.000) 8.081 11.778 ( 3.155 10.467 0.000) 10.932 11.894 ( -3.231 -8.994 0.000) 9.557 12.338 ( -2.975 2.701 0.000) 4.018 12.563 ( -8.307 -6.012 0.000) 10.255 12.992 ( -1.557 -3.723 0.000) 4.036 13.056 ( -2.667 -3.226 0.000) 4.186 13.269 ( 5.492 0.946 0.000) 5.573 13.271 ( 3.212 -5.716 0.000) 6.557 13.657 ( -7.907 -6.330 0.000) 10.129 14.050 ( -10.202 -11.556 0.000) 15.415 14.106 ( 8.555 -13.644 0.000) 16.105 14.119 ( -12.278 2.794 0.000) 12.592 14.324 ( 3.321 0.688 0.000) 3.391 14.328 ( -2.662 -2.588 0.000) 3.713 14.464 ( 2.394 -9.026 0.000) 9.338 14.644 ( 3.041 -6.639 0.000) 7.302 16.940 ( 5.325 2.825 0.000) 6.028 17.146 ( 0.548 3.911 0.000) 3.949 17.342 ( 1.682 -1.059 0.000) 1.987 17.495 ( -1.751 -4.354 0.000) 4.693 18.226 ( 1.022 -14.826 0.000) 14.861 18.289 ( -0.119 -16.682 0.000) 16.682 18.523 ( 0.923 -18.697 0.000) 18.720 18.682 ( -3.194 -22.032 0.000) 22.262 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 15.004 15.317 0.000) 21.441 1.929 ( 5.422 18.101 0.000) 18.895 2.011 ( -0.440 15.600 0.000) 15.606 2.229 ( -20.003 11.080 0.000) 22.867 2.442 ( 6.244 13.892 0.000) 15.231 2.519 ( -0.384 9.842 0.000) 9.850 2.699 ( 5.304 -0.092 0.000) 5.305 2.836 ( -4.131 2.554 0.000) 4.856 2.971 ( 1.327 1.973 0.000) 2.378 3.051 ( -9.003 1.997 0.000) 9.222 3.494 ( 5.703 21.824 0.000) 22.556 3.567 ( 1.314 28.096 0.000) 28.127 3.594 ( 2.524 7.394 0.000) 7.813 3.598 ( 3.033 22.735 0.000) 22.937 3.736 ( -4.332 10.074 0.000) 10.966 3.788 ( -5.465 24.048 0.000) 24.661 3.840 ( 5.944 14.476 0.000) 15.649 3.990 ( -6.677 13.152 0.000) 14.750 4.130 ( -1.386 22.838 0.000) 22.880 4.174 ( -4.007 11.277 0.000) 11.968 4.464 ( 10.398 4.904 0.000) 11.496 4.679 ( -5.230 6.567 0.000) 8.395 4.780 ( 5.419 9.351 0.000) 10.808 4.892 ( -7.488 3.816 0.000) 8.404 4.987 ( 3.259 13.678 0.000) 14.061 5.050 ( -3.390 15.735 0.000) 16.096 5.127 ( 0.950 35.855 0.000) 35.868 5.180 ( -4.008 33.859 0.000) 34.095 5.206 ( 11.223 3.177 0.000) 11.664 5.406 ( -8.407 -0.480 0.000) 8.421 5.491 ( 4.218 27.130 0.000) 27.456 5.535 ( 0.048 23.705 0.000) 23.705 6.569 ( 2.493 -6.169 0.000) 6.653 6.624 ( 5.993 -3.005 0.000) 6.704 6.640 ( -4.343 -6.287 0.000) 7.641 6.741 ( -4.121 0.331 0.000) 4.135 7.094 ( 2.363 -1.822 0.000) 2.983 7.123 ( -1.227 -0.332 0.000) 1.271 7.205 ( 8.077 -11.496 0.000) 14.050 7.337 ( -3.687 -14.445 0.000) 14.908 8.248 ( 1.729 -0.685 0.000) 1.860 8.270 ( 5.923 -3.561 0.000) 6.911 8.442 ( 2.139 -1.475 0.000) 2.598 8.644 ( -10.335 -0.740 0.000) 10.361 8.935 ( 12.875 -2.306 0.000) 13.080 9.063 ( 1.293 8.012 0.000) 8.115 9.102 ( -0.166 7.972 0.000) 7.974 9.231 ( -13.007 -1.654 0.000) 13.112 10.090 ( 3.563 8.295 0.000) 9.028 10.122 ( 2.504 17.663 0.000) 17.839 10.182 ( -1.551 11.079 0.000) 11.187 10.192 ( -1.450 21.408 0.000) 21.457 10.551 ( -0.384 10.510 0.000) 10.517 10.592 ( -4.838 3.090 0.000) 5.741 10.783 ( 12.497 4.181 0.000) 13.178 10.907 ( 9.370 6.271 0.000) 11.275 11.042 ( -7.913 10.370 0.000) 13.044 11.067 ( -3.570 4.761 0.000) 5.951 11.345 ( 11.162 8.633 0.000) 14.111 11.591 ( -5.205 3.571 0.000) 6.313 11.734 ( -7.849 -3.161 0.000) 8.461 11.762 ( -4.438 6.560 0.000) 7.920 12.335 ( 2.701 0.442 0.000) 2.737 12.406 ( -4.620 -1.567 0.000) 4.879 12.994 ( 0.577 -0.941 0.000) 1.103 13.008 ( -1.323 -1.070 0.000) 1.702 13.382 ( 8.188 -4.965 0.000) 9.576 13.383 ( 5.569 0.031 0.000) 5.569 13.509 ( -6.322 -2.020 0.000) 6.637 13.657 ( -17.928 -2.625 0.000) 18.119 14.098 ( 2.417 -4.759 0.000) 5.338 14.163 ( -2.650 -10.121 0.000) 10.462 14.345 ( 3.098 -2.818 0.000) 4.187 14.370 ( 0.735 -4.146 0.000) 4.211 14.530 ( 4.416 -10.796 0.000) 11.665 14.628 ( -3.756 -9.348 0.000) 10.074 17.061 ( 5.379 2.842 0.000) 6.084 17.138 ( -1.824 3.277 0.000) 3.750 17.389 ( 2.692 -1.899 0.000) 3.294 17.447 ( -2.713 -2.996 0.000) 4.042 18.254 ( 1.466 -15.869 0.000) 15.937 18.280 ( -0.871 -16.394 0.000) 16.417 18.552 ( 1.884 -18.987 0.000) 19.080 18.607 ( -3.420 -20.299 0.000) 20.585 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.000 16.838 0.000) 16.838 2.181 ( 0.000 17.658 0.000) 17.658 2.293 ( 0.000 11.809 0.000) 11.809 2.505 ( 0.000 -0.592 0.000) 0.592 2.537 ( 0.000 20.135 0.000) 20.135 2.555 ( 0.000 2.476 0.000) 2.476 2.980 ( 0.000 4.683 0.000) 4.683 2.985 ( 0.000 7.653 0.000) 7.653 3.168 ( 0.000 -0.446 0.000) 0.446 3.215 ( 0.000 1.030 0.000) 1.030 3.476 ( 0.000 -3.882 0.000) 3.882 3.747 ( 0.000 1.930 0.000) 1.930 3.794 ( 0.000 4.418 0.000) 4.418 3.891 ( 0.000 13.793 0.000) 13.793 4.181 ( 0.000 5.911 0.000) 5.911 4.241 ( 0.000 25.263 0.000) 25.263 4.259 ( 0.000 19.677 0.000) 19.677 4.303 ( 0.000 12.685 0.000) 12.685 4.458 ( 0.000 -6.176 0.000) 6.176 4.573 ( 0.000 -1.821 0.000) 1.821 4.676 ( 0.000 16.927 0.000) 16.927 4.735 ( 0.000 13.646 0.000) 13.646 4.869 ( 0.000 23.866 0.000) 23.866 5.075 ( 0.000 23.986 0.000) 23.986 5.168 ( 0.000 -1.499 0.000) 1.499 5.222 ( 0.000 20.340 0.000) 20.340 5.413 ( 0.000 12.030 0.000) 12.030 5.423 ( 0.000 0.883 0.000) 0.883 5.783 ( 0.000 30.546 0.000) 30.546 5.994 ( 0.000 26.274 0.000) 26.274 5.998 ( 0.000 16.561 0.000) 16.561 6.033 ( 0.000 30.771 0.000) 30.771 6.332 ( 0.000 5.616 0.000) 5.616 6.453 ( 0.000 -6.316 0.000) 6.316 6.703 ( 0.000 -0.574 0.000) 0.574 6.842 ( 0.000 -0.864 0.000) 0.864 6.885 ( 0.000 2.346 0.000) 2.346 6.993 ( 0.000 -0.068 0.000) 0.068 7.054 ( 0.000 -9.815 0.000) 9.815 7.154 ( 0.000 -3.860 0.000) 3.860 7.952 ( 0.000 6.427 0.000) 6.427 8.328 ( 0.000 1.577 0.000) 1.577 8.472 ( 0.000 4.274 0.000) 4.274 8.474 ( 0.000 -1.913 0.000) 1.913 8.945 ( 0.000 4.484 0.000) 4.484 9.093 ( 0.000 -1.557 0.000) 1.557 9.170 ( 0.000 -0.298 0.000) 0.298 9.565 ( 0.000 -0.682 0.000) 0.682 10.093 ( 0.000 -0.248 0.000) 0.248 10.200 ( 0.000 7.350 0.000) 7.350 10.229 ( 0.000 3.700 0.000) 3.700 10.430 ( 0.000 2.390 0.000) 2.390 10.706 ( 0.000 13.734 0.000) 13.734 10.807 ( 0.000 1.749 0.000) 1.749 10.866 ( 0.000 7.019 0.000) 7.019 10.954 ( 0.000 -3.779 0.000) 3.779 11.230 ( 0.000 14.668 0.000) 14.668 11.265 ( 0.000 13.852 0.000) 13.852 11.489 ( 0.000 20.281 0.000) 20.281 11.778 ( 0.000 -7.354 0.000) 7.354 11.861 ( 0.000 7.011 0.000) 7.011 11.932 ( 0.000 6.824 0.000) 6.824 12.470 ( 0.000 5.262 0.000) 5.262 12.480 ( 0.000 -6.489 0.000) 6.489 12.877 ( 0.000 -10.487 0.000) 10.487 13.045 ( 0.000 -0.285 0.000) 0.285 13.175 ( 0.000 0.216 0.000) 0.216 13.358 ( 0.000 13.350 0.000) 13.350 13.636 ( 0.000 -6.363 0.000) 6.363 13.638 ( 0.000 -18.120 0.000) 18.120 13.741 ( 0.000 -19.522 0.000) 19.522 14.217 ( 0.000 -13.343 0.000) 13.343 14.252 ( 0.000 -6.789 0.000) 6.789 14.265 ( 0.000 -4.559 0.000) 4.559 14.511 ( 0.000 2.810 0.000) 2.810 14.542 ( 0.000 8.662 0.000) 8.662 16.891 ( 0.000 -0.736 0.000) 0.736 17.226 ( 0.000 4.702 0.000) 4.702 17.318 ( 0.000 -0.182 0.000) 0.182 17.405 ( 0.000 -5.569 0.000) 5.569 17.923 ( 0.000 -14.303 0.000) 14.303 17.948 ( 0.000 -16.480 0.000) 16.480 18.128 ( 0.000 -18.708 0.000) 18.708 18.287 ( 0.000 -19.002 0.000) 19.002 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 7.539 16.097 0.000) 17.775 2.207 ( 2.241 16.479 0.000) 16.630 2.268 ( -0.313 12.922 0.000) 12.926 2.526 ( 3.623 1.105 0.000) 3.788 2.607 ( 0.262 -1.013 0.000) 1.046 2.617 ( 5.734 16.703 0.000) 17.660 2.823 ( -9.366 10.994 0.000) 14.443 2.956 ( -1.777 4.584 0.000) 4.916 3.065 ( -3.213 4.933 0.000) 5.886 3.368 ( -12.240 0.638 0.000) 12.256 3.389 ( 8.039 -2.051 0.000) 8.296 3.663 ( -0.372 -0.894 0.000) 0.969 3.825 ( 0.365 2.309 0.000) 2.338 3.898 ( 0.239 12.657 0.000) 12.659 4.074 ( -9.346 1.479 0.000) 9.462 4.230 ( -10.041 3.412 0.000) 10.604 4.282 ( 4.839 31.282 0.000) 31.654 4.341 ( 1.085 14.868 0.000) 14.908 4.377 ( 4.670 12.608 0.000) 13.445 4.618 ( 1.304 7.247 0.000) 7.363 4.760 ( 4.940 7.555 0.000) 9.026 4.771 ( -1.104 25.078 0.000) 25.103 4.850 ( 2.377 10.535 0.000) 10.800 5.048 ( -9.282 -1.354 0.000) 9.380 5.115 ( 3.610 17.892 0.000) 18.253 5.301 ( 5.967 20.250 0.000) 21.111 5.404 ( -2.988 9.206 0.000) 9.679 5.419 ( 1.171 6.404 0.000) 6.510 5.798 ( 1.373 30.811 0.000) 30.841 5.960 ( -3.141 22.675 0.000) 22.892 6.036 ( 3.487 25.466 0.000) 25.704 6.056 ( 1.986 29.934 0.000) 29.999 6.386 ( 4.501 -1.111 0.000) 4.637 6.497 ( 3.272 -0.548 0.000) 3.317 6.660 ( -4.076 -0.948 0.000) 4.184 6.851 ( 2.282 -4.294 0.000) 4.863 6.860 ( -2.675 3.077 0.000) 4.078 7.035 ( 2.879 -0.758 0.000) 2.977 7.050 ( -0.154 -10.782 0.000) 10.783 7.144 ( -1.165 -4.369 0.000) 4.522 8.052 ( 9.050 5.211 0.000) 10.443 8.305 ( -0.397 5.977 0.000) 5.990 8.473 ( -0.431 0.398 0.000) 0.586 8.604 ( 10.028 -0.346 0.000) 10.034 8.871 ( -6.597 3.556 0.000) 7.495 9.097 ( 1.120 -0.130 0.000) 1.127 9.188 ( 1.312 1.023 0.000) 1.664 9.456 ( -10.136 -1.782 0.000) 10.291 10.104 ( 2.187 1.328 0.000) 2.558 10.241 ( 4.186 5.862 0.000) 7.203 10.308 ( 5.815 4.141 0.000) 7.139 10.441 ( 1.403 3.462 0.000) 3.735 10.726 ( -4.513 1.102 0.000) 4.646 10.810 ( 2.555 8.420 0.000) 8.800 10.850 ( -2.422 10.017 0.000) 10.305 10.875 ( -0.547 4.752 0.000) 4.784 11.249 ( -1.605 9.427 0.000) 9.563 11.307 ( 4.238 11.635 0.000) 12.383 11.522 ( 2.944 19.253 0.000) 19.476 11.713 ( -5.258 -8.620 0.000) 10.097 11.779 ( -6.365 5.275 0.000) 8.267 11.947 ( -0.205 5.610 0.000) 5.614 12.406 ( -4.557 4.280 0.000) 6.252 12.456 ( -2.955 -4.312 0.000) 5.227 12.892 ( 2.661 -6.438 0.000) 6.966 13.015 ( -1.730 -0.636 0.000) 1.843 13.213 ( 3.261 0.238 0.000) 3.270 13.405 ( 3.400 10.972 0.000) 11.486 13.549 ( -2.589 -5.880 0.000) 6.425 13.714 ( -3.441 -18.944 0.000) 19.254 13.790 ( 7.307 -15.299 0.000) 16.954 14.141 ( -11.023 0.180 0.000) 11.025 14.230 ( 1.809 -12.050 0.000) 12.185 14.259 ( 0.737 -6.056 0.000) 6.101 14.372 ( -4.848 1.100 0.000) 4.971 14.601 ( -1.148 2.575 0.000) 2.819 16.957 ( 5.744 -0.297 0.000) 5.751 17.222 ( -0.556 3.602 0.000) 3.645 17.329 ( 0.983 -0.316 0.000) 1.033 17.400 ( -0.520 -4.946 0.000) 4.974 17.923 ( 0.123 -14.724 0.000) 14.724 17.950 ( 0.148 -16.324 0.000) 16.325 18.143 ( 1.322 -18.224 0.000) 18.272 18.264 ( -2.067 -18.523 0.000) 18.638 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 8.777 13.818 0.000) 16.370 2.249 ( 0.573 13.582 0.000) 13.595 2.299 ( 2.201 12.331 0.000) 12.525 2.420 ( -11.862 7.295 0.000) 13.925 2.671 ( 9.473 0.019 0.000) 9.473 2.727 ( 4.086 11.840 0.000) 12.525 2.791 ( 0.948 14.367 0.000) 14.398 2.897 ( -6.071 4.970 0.000) 7.846 3.027 ( 0.001 4.136 0.000) 4.136 3.094 ( -9.151 3.621 0.000) 9.841 3.548 ( 8.121 -3.209 0.000) 8.732 3.717 ( -1.712 -4.857 0.000) 5.150 3.777 ( 0.222 1.444 0.000) 1.461 3.896 ( -0.134 10.404 0.000) 10.404 3.917 ( -3.202 5.790 0.000) 6.616 3.965 ( -12.429 -1.314 0.000) 12.499 4.395 ( 5.226 30.443 0.000) 30.888 4.421 ( 3.217 23.005 0.000) 23.229 4.516 ( 8.666 13.778 0.000) 16.277 4.614 ( 0.024 12.202 0.000) 12.202 4.657 ( -6.286 26.573 0.000) 27.306 4.756 ( -11.298 1.698 0.000) 11.425 4.897 ( 6.021 3.613 0.000) 7.022 4.970 ( -0.468 4.730 0.000) 4.753 5.212 ( 5.087 11.413 0.000) 12.495 5.311 ( -4.707 9.080 0.000) 10.227 5.410 ( 3.729 16.999 0.000) 17.403 5.445 ( 0.277 11.800 0.000) 11.803 5.836 ( 2.224 30.782 0.000) 30.862 5.891 ( -3.081 28.337 0.000) 28.504 6.100 ( 1.681 28.561 0.000) 28.611 6.102 ( 1.847 27.410 0.000) 27.472 6.461 ( 2.941 -3.904 0.000) 4.888 6.551 ( -5.560 -1.717 0.000) 5.819 6.608 ( 7.454 2.887 0.000) 7.994 6.763 ( -6.529 2.331 0.000) 6.933 6.947 ( 5.872 -10.658 0.000) 12.168 7.041 ( -1.891 -13.271 0.000) 13.405 7.081 ( 1.345 -1.580 0.000) 2.075 7.105 ( -1.828 -2.116 0.000) 2.797 8.271 ( 8.926 4.047 0.000) 9.801 8.319 ( 1.170 7.756 0.000) 7.844 8.469 ( 2.306 4.428 0.000) 4.992 8.646 ( -10.550 1.439 0.000) 10.648 8.886 ( 12.898 -1.037 0.000) 12.939 9.151 ( 3.378 1.208 0.000) 3.588 9.185 ( -14.679 -2.211 0.000) 14.845 9.199 ( -0.763 1.719 0.000) 1.881 10.192 ( 5.722 2.371 0.000) 6.194 10.305 ( -2.901 2.240 0.000) 3.665 10.408 ( 7.149 9.637 0.000) 11.999 10.493 ( 2.817 7.322 0.000) 7.846 10.654 ( -6.546 0.869 0.000) 6.603 10.654 ( -7.203 1.447 0.000) 7.347 10.906 ( 12.260 8.871 0.000) 15.133 11.048 ( 7.904 7.459 0.000) 10.868 11.196 ( -3.694 5.499 0.000) 6.624 11.246 ( -12.161 8.445 0.000) 14.806 11.584 ( 2.228 13.833 0.000) 14.011 11.607 ( -1.595 -0.397 0.000) 1.644 11.737 ( 2.904 2.826 0.000) 4.053 11.862 ( -7.240 3.691 0.000) 8.126 12.354 ( -0.134 1.489 0.000) 1.495 12.384 ( -2.896 -0.530 0.000) 2.944 12.970 ( 3.374 -1.603 0.000) 3.735 13.002 ( -0.055 0.214 0.000) 0.221 13.316 ( 7.417 -2.215 0.000) 7.740 13.461 ( 0.949 5.766 0.000) 5.844 13.511 ( -1.402 0.427 0.000) 1.466 13.551 ( -10.759 -9.361 0.000) 14.261 13.898 ( 3.060 -12.729 0.000) 13.091 13.961 ( -4.563 -4.647 0.000) 6.513 14.269 ( 1.198 -9.117 0.000) 9.195 14.303 ( -2.284 -4.994 0.000) 5.492 14.335 ( 7.253 -4.502 0.000) 8.536 14.501 ( -7.439 -1.804 0.000) 7.655 17.091 ( 6.179 0.706 0.000) 6.219 17.189 ( -2.975 1.984 0.000) 3.576 17.354 ( 1.348 -1.572 0.000) 2.071 17.382 ( -1.187 -3.401 0.000) 3.602 17.932 ( 0.720 -15.535 0.000) 15.551 17.947 ( -0.527 -16.031 0.000) 16.040 18.176 ( 1.690 -17.482 0.000) 17.564 18.216 ( -2.215 -17.632 0.000) 17.770 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.000 13.789 0.000) 13.789 2.443 ( 0.000 7.222 0.000) 7.222 2.504 ( 0.000 0.471 0.000) 0.471 2.536 ( 0.000 12.045 0.000) 12.045 2.626 ( 0.000 5.881 0.000) 5.881 2.886 ( 0.000 13.975 0.000) 13.975 3.081 ( 0.000 5.234 0.000) 5.234 3.129 ( 0.000 -2.903 0.000) 2.903 3.177 ( 0.000 10.566 0.000) 10.566 3.277 ( 0.000 5.582 0.000) 5.582 3.362 ( 0.000 -7.320 0.000) 7.320 3.720 ( 0.000 -3.582 0.000) 3.582 3.861 ( 0.000 2.980 0.000) 2.980 4.063 ( 0.000 3.189 0.000) 3.189 4.141 ( 0.000 -3.437 0.000) 3.437 4.287 ( 0.000 -8.578 0.000) 8.578 4.411 ( 0.000 0.566 0.000) 0.566 4.439 ( 0.000 -2.526 0.000) 2.526 4.462 ( 0.000 -0.796 0.000) 0.796 4.762 ( 0.000 -5.527 0.000) 5.527 4.902 ( 0.000 25.287 0.000) 25.287 5.086 ( 0.000 18.031 0.000) 18.031 5.303 ( 0.000 14.003 0.000) 14.003 5.305 ( 0.000 17.674 0.000) 17.674 5.535 ( 0.000 18.988 0.000) 18.988 5.578 ( 0.000 13.695 0.000) 13.695 5.579 ( 0.000 12.884 0.000) 12.884 5.589 ( 0.000 5.228 0.000) 5.228 6.087 ( 0.000 -0.494 0.000) 0.494 6.315 ( 0.000 21.275 0.000) 21.275 6.362 ( 0.000 -0.757 0.000) 0.757 6.404 ( 0.000 11.311 0.000) 11.311 6.522 ( 0.000 15.910 0.000) 15.910 6.597 ( 0.000 11.433 0.000) 11.433 6.757 ( 0.000 7.671 0.000) 7.671 6.852 ( 0.000 -3.995 0.000) 3.995 6.965 ( 0.000 13.053 0.000) 13.053 6.989 ( 0.000 2.658 0.000) 2.658 7.053 ( 0.000 7.729 0.000) 7.729 7.084 ( 0.000 -2.842 0.000) 2.842 8.150 ( 0.000 12.330 0.000) 12.330 8.432 ( 0.000 8.040 0.000) 8.040 8.504 ( 0.000 4.712 0.000) 4.712 8.606 ( 0.000 8.306 0.000) 8.306 9.039 ( 0.000 4.667 0.000) 4.667 9.087 ( 0.000 1.517 0.000) 1.517 9.130 ( 0.000 -2.830 0.000) 2.830 9.499 ( 0.000 -4.801 0.000) 4.801 10.126 ( 0.000 4.220 0.000) 4.220 10.261 ( 0.000 -0.761 0.000) 0.761 10.284 ( 0.000 1.580 0.000) 1.580 10.386 ( 0.000 -5.113 0.000) 5.113 10.803 ( 0.000 -10.062 0.000) 10.062 10.863 ( 0.000 6.502 0.000) 6.502 10.991 ( 0.000 4.951 0.000) 4.951 11.011 ( 0.000 15.210 0.000) 15.210 11.464 ( 0.000 5.273 0.000) 5.273 11.541 ( 0.000 14.976 0.000) 14.976 11.591 ( 0.000 -11.636 0.000) 11.636 11.871 ( 0.000 15.145 0.000) 15.145 11.961 ( 0.000 2.456 0.000) 2.456 12.000 ( 0.000 1.027 0.000) 1.027 12.379 ( 0.000 -3.891 0.000) 3.891 12.594 ( 0.000 6.432 0.000) 6.432 12.663 ( 0.000 -9.576 0.000) 9.576 13.105 ( 0.000 6.642 0.000) 6.642 13.110 ( 0.000 -15.984 0.000) 15.984 13.326 ( 0.000 -18.904 0.000) 18.904 13.355 ( 0.000 -0.960 0.000) 0.960 13.542 ( 0.000 -3.342 0.000) 3.342 13.667 ( 0.000 13.749 0.000) 13.749 13.906 ( 0.000 -16.586 0.000) 16.586 14.104 ( 0.000 -7.735 0.000) 7.735 14.197 ( 0.000 -1.977 0.000) 1.977 14.580 ( 0.000 3.763 0.000) 3.763 14.688 ( 0.000 5.272 0.000) 5.272 16.879 ( 0.000 0.161 0.000) 0.161 17.292 ( 0.000 -5.523 0.000) 5.523 17.301 ( 0.000 -1.683 0.000) 1.683 17.330 ( 0.000 5.558 0.000) 5.558 17.641 ( 0.000 -13.475 0.000) 13.475 17.654 ( 0.000 -11.852 0.000) 11.852 17.779 ( 0.000 -15.295 0.000) 15.295 17.971 ( 0.000 -12.013 0.000) 12.013 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 6.301 12.728 0.000) 14.203 2.454 ( 1.591 6.684 0.000) 6.871 2.513 ( -1.442 11.303 0.000) 11.395 2.551 ( 3.455 1.174 0.000) 3.649 2.612 ( -1.994 3.711 0.000) 4.213 2.898 ( 0.023 9.790 0.000) 9.790 3.050 ( -1.172 9.329 0.000) 9.402 3.060 ( -1.423 5.802 0.000) 5.974 3.190 ( -2.035 7.435 0.000) 7.709 3.351 ( 5.550 0.045 0.000) 5.550 3.359 ( -1.620 -2.261 0.000) 2.782 3.620 ( -7.117 -1.800 0.000) 7.341 3.830 ( -0.150 -0.615 0.000) 0.633 4.043 ( -1.991 1.863 0.000) 2.727 4.049 ( -7.927 -1.879 0.000) 8.147 4.146 ( -11.096 -6.288 0.000) 12.753 4.464 ( 3.938 -0.642 0.000) 3.990 4.494 ( 2.801 -2.345 0.000) 3.654 4.591 ( 11.440 -1.270 0.000) 11.511 4.858 ( 6.458 -6.071 0.000) 8.864 4.922 ( 1.767 24.029 0.000) 24.094 5.076 ( -0.502 18.349 0.000) 18.356 5.193 ( -7.893 15.327 0.000) 17.240 5.274 ( -3.545 20.311 0.000) 20.618 5.492 ( -1.146 16.456 0.000) 16.496 5.580 ( -0.704 11.943 0.000) 11.964 5.621 ( 2.502 7.064 0.000) 7.494 5.665 ( 4.626 14.245 0.000) 14.978 6.145 ( 5.301 0.761 0.000) 5.355 6.319 ( 0.042 19.606 0.000) 19.606 6.339 ( -0.668 0.463 0.000) 0.813 6.465 ( 5.156 11.283 0.000) 12.405 6.522 ( 0.340 15.006 0.000) 15.010 6.670 ( 5.538 9.863 0.000) 11.311 6.720 ( -3.784 6.411 0.000) 7.444 6.856 ( -0.156 -4.072 0.000) 4.075 6.900 ( -4.761 11.148 0.000) 12.122 6.945 ( -3.448 3.961 0.000) 5.252 7.082 ( 1.559 7.209 0.000) 7.375 7.085 ( 0.007 -1.244 0.000) 1.244 8.232 ( 7.424 11.731 0.000) 13.883 8.491 ( 4.461 11.291 0.000) 12.141 8.543 ( 3.176 5.985 0.000) 6.776 8.635 ( 2.841 3.376 0.000) 4.412 8.981 ( -4.496 7.074 0.000) 8.381 9.096 ( 1.156 0.816 0.000) 1.415 9.163 ( 2.156 -2.815 0.000) 3.546 9.408 ( -8.583 -2.376 0.000) 8.905 10.140 ( 2.008 3.104 0.000) 3.697 10.278 ( 2.311 -1.668 0.000) 2.850 10.351 ( 5.151 0.362 0.000) 5.163 10.409 ( 2.445 -5.043 0.000) 5.604 10.763 ( -6.757 4.005 0.000) 7.855 10.791 ( -2.138 -6.907 0.000) 7.230 11.042 ( 2.451 8.870 0.000) 9.203 11.099 ( 6.732 13.599 0.000) 15.174 11.368 ( -6.984 2.222 0.000) 7.329 11.498 ( -3.057 -7.933 0.000) 8.502 11.581 ( -1.247 9.450 0.000) 9.532 11.866 ( -6.612 3.432 0.000) 7.450 11.872 ( -0.240 13.621 0.000) 13.623 12.024 ( 0.216 2.872 0.000) 2.881 12.383 ( -0.194 -3.265 0.000) 3.270 12.495 ( -7.637 3.903 0.000) 8.577 12.742 ( 7.150 -7.973 0.000) 10.710 12.983 ( -3.328 -7.035 0.000) 7.783 13.239 ( 2.627 1.151 0.000) 2.868 13.316 ( -1.602 -19.169 0.000) 19.236 13.380 ( 3.702 -5.320 0.000) 6.481 13.617 ( 6.237 -2.809 0.000) 6.840 13.659 ( -0.980 12.133 0.000) 12.173 13.955 ( 4.681 -13.058 0.000) 13.871 14.135 ( -6.087 -0.545 0.000) 6.111 14.139 ( 3.589 -6.396 0.000) 7.334 14.407 ( -11.578 2.970 0.000) 11.953 14.672 ( -4.491 3.045 0.000) 5.426 16.956 ( 6.562 0.569 0.000) 6.587 17.271 ( -1.919 -0.167 0.000) 1.927 17.297 ( 0.427 -5.185 0.000) 5.203 17.342 ( 0.042 2.797 0.000) 2.797 17.646 ( 0.405 -13.309 0.000) 13.315 17.648 ( -0.436 -12.025 0.000) 12.032 17.809 ( 2.513 -14.428 0.000) 14.646 17.955 ( -1.490 -11.781 0.000) 11.874 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 5.717 11.083 0.000) 12.471 2.484 ( -1.327 9.415 0.000) 9.508 2.506 ( 0.795 8.340 0.000) 8.378 2.525 ( -2.684 3.507 0.000) 4.416 2.666 ( 6.903 0.475 0.000) 6.920 2.828 ( -6.990 0.512 0.000) 7.008 3.059 ( 1.541 7.886 0.000) 8.035 3.092 ( 0.911 11.521 0.000) 11.556 3.155 ( 1.915 10.211 0.000) 10.389 3.260 ( -5.991 12.712 0.000) 14.053 3.463 ( 5.435 -4.514 0.000) 7.065 3.556 ( -1.717 -9.634 0.000) 9.785 3.802 ( -1.421 0.857 0.000) 1.659 3.907 ( -10.113 -2.995 0.000) 10.547 3.947 ( 0.132 -0.557 0.000) 0.572 3.989 ( -2.898 0.275 0.000) 2.911 4.538 ( 2.756 -3.857 0.000) 4.741 4.551 ( 1.714 -5.308 0.000) 5.578 4.819 ( 9.143 0.071 0.000) 9.144 4.932 ( -0.861 -2.975 0.000) 3.097 4.959 ( 1.743 22.077 0.000) 22.145 5.035 ( -6.086 19.476 0.000) 20.404 5.096 ( 2.984 18.976 0.000) 19.209 5.182 ( -4.698 20.931 0.000) 21.451 5.497 ( 1.311 14.131 0.000) 14.191 5.538 ( -2.485 12.189 0.000) 12.440 5.687 ( 3.104 9.416 0.000) 9.914 5.722 ( 0.350 11.900 0.000) 11.905 6.249 ( 3.353 8.023 0.000) 8.696 6.301 ( -1.820 14.157 0.000) 14.273 6.401 ( 7.066 -1.358 0.000) 7.195 6.537 ( -1.253 9.279 0.000) 9.364 6.572 ( 3.603 15.694 0.000) 16.102 6.609 ( -4.555 10.829 0.000) 11.748 6.784 ( 4.922 7.338 0.000) 8.836 6.810 ( -2.638 4.231 0.000) 4.986 6.824 ( -2.683 -5.205 0.000) 5.855 6.872 ( -3.555 7.185 0.000) 8.017 7.091 ( 0.604 2.432 0.000) 2.506 7.099 ( 0.077 5.217 0.000) 5.218 8.421 ( 9.249 9.703 0.000) 13.405 8.538 ( -1.119 12.389 0.000) 12.440 8.612 ( 3.339 8.956 0.000) 9.558 8.685 ( -1.579 2.465 0.000) 2.928 8.947 ( 5.436 7.331 0.000) 9.127 9.140 ( 1.842 -1.135 0.000) 2.164 9.174 ( -11.779 1.726 0.000) 11.904 9.186 ( -0.539 -2.238 0.000) 2.302 10.220 ( 5.275 1.274 0.000) 5.426 10.311 ( -1.527 -1.236 0.000) 1.964 10.471 ( 6.454 -3.073 0.000) 7.148 10.491 ( 4.823 -5.548 0.000) 7.352 10.645 ( -4.262 1.014 0.000) 4.381 10.684 ( -7.460 -1.136 0.000) 7.546 11.097 ( 5.145 8.593 0.000) 10.016 11.191 ( 0.750 4.894 0.000) 4.952 11.268 ( -1.698 2.538 0.000) 3.054 11.365 ( -11.603 3.840 0.000) 12.222 11.619 ( 9.511 2.761 0.000) 9.904 11.827 ( -5.964 9.074 0.000) 10.858 11.832 ( 3.051 6.565 0.000) 7.239 11.938 ( -7.166 4.635 0.000) 8.534 12.371 ( -0.610 -1.305 0.000) 1.441 12.380 ( -2.305 0.284 0.000) 2.322 12.909 ( 7.197 -5.137 0.000) 8.842 12.972 ( 0.829 -5.960 0.000) 6.018 13.219 ( -2.030 -7.494 0.000) 7.764 13.248 ( -4.186 -17.276 0.000) 17.776 13.497 ( 6.162 -0.117 0.000) 6.163 13.609 ( -4.093 7.162 0.000) 8.249 13.770 ( 8.102 0.192 0.000) 8.104 13.956 ( -9.741 2.650 0.000) 10.095 14.075 ( 5.903 -7.923 0.000) 9.880 14.204 ( -7.345 -3.280 0.000) 8.044 14.274 ( 9.590 -2.844 0.000) 10.003 14.502 ( -10.827 0.390 0.000) 10.834 17.108 ( 7.063 1.172 0.000) 7.159 17.220 ( -3.484 0.688 0.000) 3.551 17.308 ( 0.592 -3.935 0.000) 3.979 17.326 ( -1.179 -0.887 0.000) 1.475 17.644 ( 0.140 -12.383 0.000) 12.384 17.650 ( -0.177 -12.806 0.000) 12.808 17.866 ( 2.691 -12.790 0.000) 13.070 17.916 ( -2.112 -11.752 0.000) 11.940 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 0.000 12.360 0.000) 12.360 2.509 ( 0.000 1.247 0.000) 1.247 2.519 ( 0.000 0.845 0.000) 0.845 2.770 ( 0.000 10.841 0.000) 10.841 2.774 ( 0.000 7.228 0.000) 7.228 3.062 ( 0.000 -3.569 0.000) 3.569 3.079 ( 0.000 4.232 0.000) 4.232 3.181 ( 0.000 -10.506 0.000) 10.506 3.199 ( 0.000 7.127 0.000) 7.127 3.380 ( 0.000 9.664 0.000) 9.664 3.453 ( 0.000 11.150 0.000) 11.150 3.621 ( 0.000 -5.873 0.000) 5.873 3.927 ( 0.000 3.423 0.000) 3.423 4.016 ( 0.000 -7.501 0.000) 7.501 4.074 ( 0.000 -2.892 0.000) 2.892 4.111 ( 0.000 -8.814 0.000) 8.814 4.389 ( 0.000 -3.501 0.000) 3.501 4.389 ( 0.000 -1.885 0.000) 1.885 4.391 ( 0.000 -1.910 0.000) 1.910 4.596 ( 0.000 -8.932 0.000) 8.932 5.325 ( 0.000 15.995 0.000) 15.995 5.397 ( 0.000 11.999 0.000) 11.999 5.553 ( 0.000 7.168 0.000) 7.168 5.594 ( 0.000 11.246 0.000) 11.246 5.646 ( 0.000 2.280 0.000) 2.280 5.767 ( 0.000 5.649 0.000) 5.649 5.797 ( 0.000 7.004 0.000) 7.004 5.798 ( 0.000 6.275 0.000) 6.275 6.131 ( 0.000 6.000 0.000) 6.000 6.354 ( 0.000 0.563 0.000) 0.563 6.574 ( 0.000 6.030 0.000) 6.030 6.637 ( 0.000 10.943 0.000) 10.943 6.708 ( 0.000 1.776 0.000) 1.776 6.736 ( 0.000 8.106 0.000) 8.106 6.822 ( 0.000 1.127 0.000) 1.127 6.895 ( 0.000 0.884 0.000) 0.884 7.075 ( 0.000 5.081 0.000) 5.081 7.092 ( 0.000 4.962 0.000) 4.962 7.262 ( 0.000 13.499 0.000) 13.499 7.278 ( 0.000 11.659 0.000) 11.659 8.407 ( 0.000 12.099 0.000) 12.099 8.615 ( 0.000 9.150 0.000) 9.150 8.630 ( 0.000 6.287 0.000) 6.287 8.771 ( 0.000 6.808 0.000) 6.808 9.083 ( 0.000 -1.260 0.000) 1.260 9.118 ( 0.000 2.625 0.000) 2.625 9.166 ( 0.000 6.111 0.000) 6.111 9.404 ( 0.000 -3.883 0.000) 3.883 10.214 ( 0.000 -1.400 0.000) 1.400 10.221 ( 0.000 -2.232 0.000) 2.232 10.280 ( 0.000 -1.656 0.000) 1.656 10.332 ( 0.000 6.681 0.000) 6.681 10.561 ( 0.000 -13.169 0.000) 13.169 11.080 ( 0.000 4.612 0.000) 4.612 11.086 ( 0.000 14.820 0.000) 14.820 11.299 ( 0.000 -11.506 0.000) 11.506 11.318 ( 0.000 9.490 0.000) 9.490 11.482 ( 0.000 -2.820 0.000) 2.820 11.815 ( 0.000 11.516 0.000) 11.516 11.954 ( 0.000 -2.772 0.000) 2.772 11.999 ( 0.000 -1.641 0.000) 1.641 12.089 ( 0.000 7.202 0.000) 7.202 12.302 ( 0.000 -4.122 0.000) 4.122 12.524 ( 0.000 -3.709 0.000) 3.709 12.641 ( 0.000 -16.878 0.000) 16.878 12.756 ( 0.000 1.161 0.000) 1.161 12.961 ( 0.000 -16.591 0.000) 16.591 13.299 ( 0.000 11.282 0.000) 11.282 13.433 ( 0.000 -10.771 0.000) 10.771 13.444 ( 0.000 5.441 0.000) 5.441 13.628 ( 0.000 -7.159 0.000) 7.159 13.916 ( 0.000 10.368 0.000) 10.368 13.940 ( 0.000 -8.551 0.000) 8.551 14.176 ( 0.000 -0.527 0.000) 0.527 14.652 ( 0.000 3.152 0.000) 3.152 14.750 ( 0.000 1.003 0.000) 1.003 16.909 ( 0.000 2.749 0.000) 2.749 17.183 ( 0.000 -5.265 0.000) 5.265 17.256 ( 0.000 -2.324 0.000) 2.324 17.406 ( 0.000 -7.650 0.000) 7.650 17.454 ( 0.000 4.635 0.000) 4.635 17.457 ( 0.000 -7.380 0.000) 7.380 17.523 ( 0.000 -9.839 0.000) 9.839 17.791 ( 0.000 -6.508 0.000) 6.508 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 4.485 11.177 0.000) 12.043 2.514 ( 1.928 1.410 0.000) 2.389 2.555 ( 1.691 -0.182 0.000) 1.700 2.722 ( -3.905 9.264 0.000) 10.053 2.755 ( -1.284 7.782 0.000) 7.887 2.988 ( -7.016 -0.098 0.000) 7.017 3.106 ( 3.967 -2.809 0.000) 4.861 3.179 ( -0.527 1.826 0.000) 1.901 3.265 ( 4.812 -2.842 0.000) 5.589 3.361 ( -1.781 9.444 0.000) 9.610 3.473 ( 1.714 10.655 0.000) 10.792 3.593 ( -2.502 -2.485 0.000) 3.526 3.857 ( -4.000 4.282 0.000) 5.859 3.965 ( -5.015 -7.763 0.000) 9.242 4.028 ( -3.876 -0.135 0.000) 3.879 4.045 ( -4.519 -5.007 0.000) 6.745 4.399 ( 1.071 -4.210 0.000) 4.344 4.417 ( 1.914 -2.994 0.000) 3.554 4.528 ( 10.238 -4.221 0.000) 11.074 4.682 ( 6.320 -9.911 0.000) 11.755 5.327 ( 0.200 15.275 0.000) 15.277 5.395 ( 0.306 12.290 0.000) 12.294 5.487 ( -4.699 10.945 0.000) 11.911 5.586 ( -1.242 10.630 0.000) 10.702 5.700 ( 4.256 2.012 0.000) 4.708 5.733 ( -1.277 7.754 0.000) 7.859 5.793 ( -1.703 7.190 0.000) 7.389 5.851 ( 2.566 4.321 0.000) 5.026 6.170 ( 4.882 3.439 0.000) 5.971 6.355 ( 0.781 1.184 0.000) 1.418 6.596 ( -3.716 9.179 0.000) 9.903 6.616 ( 3.751 5.402 0.000) 6.577 6.735 ( -4.233 4.261 0.000) 6.006 6.759 ( -1.080 4.140 0.000) 4.279 6.759 ( 3.812 1.255 0.000) 4.014 6.875 ( -2.112 -0.233 0.000) 2.125 7.060 ( -0.267 7.462 0.000) 7.467 7.151 ( 3.849 6.397 0.000) 7.465 7.200 ( -4.251 14.433 0.000) 15.046 7.294 ( 0.134 10.763 0.000) 10.764 8.476 ( 5.897 11.135 0.000) 12.600 8.667 ( 3.620 5.394 0.000) 6.496 8.673 ( 3.862 5.511 0.000) 6.729 8.778 ( 1.292 9.612 0.000) 9.699 9.076 ( -0.909 -1.043 0.000) 1.384 9.152 ( 3.170 5.076 0.000) 5.985 9.158 ( -0.389 5.670 0.000) 5.684 9.378 ( -3.025 -0.327 0.000) 3.043 10.215 ( 0.315 -3.296 0.000) 3.311 10.235 ( 1.660 2.488 0.000) 2.991 10.303 ( -1.081 -0.718 0.000) 1.297 10.325 ( 3.307 -2.960 0.000) 4.438 10.598 ( 2.221 -10.781 0.000) 11.008 10.879 ( -10.502 6.950 0.000) 12.594 11.213 ( -6.395 -14.381 0.000) 15.739 11.244 ( 6.011 12.286 0.000) 13.677 11.347 ( -9.264 -4.032 0.000) 10.103 11.398 ( 6.936 12.589 0.000) 14.373 11.805 ( -2.932 9.025 0.000) 9.490 11.932 ( -0.315 3.705 0.000) 3.718 12.058 ( 2.113 2.496 0.000) 3.270 12.082 ( -0.051 5.105 0.000) 5.105 12.306 ( 0.286 -4.748 0.000) 4.757 12.493 ( -11.913 -9.133 0.000) 15.011 12.592 ( 6.476 -6.154 0.000) 8.934 12.738 ( -0.398 -6.672 0.000) 6.684 12.947 ( -1.553 -16.773 0.000) 16.845 13.248 ( -9.548 -7.898 0.000) 12.391 13.387 ( 6.658 7.592 0.000) 10.098 13.612 ( 10.009 2.571 0.000) 10.334 13.766 ( 9.651 -5.223 0.000) 10.974 13.878 ( -3.780 9.154 0.000) 9.904 14.003 ( 6.434 -7.021 0.000) 9.524 14.125 ( -4.664 -0.549 0.000) 4.696 14.483 ( -12.847 4.297 0.000) 13.547 14.700 ( -6.477 -0.445 0.000) 6.492 16.987 ( 6.610 2.375 0.000) 7.024 17.194 ( 1.035 -4.832 0.000) 4.941 17.235 ( -1.561 -2.154 0.000) 2.660 17.384 ( -2.365 -4.868 0.000) 5.412 17.454 ( -0.152 -6.875 0.000) 6.877 17.467 ( 0.924 1.042 0.000) 1.393 17.568 ( 3.820 -9.386 0.000) 10.133 17.777 ( -1.396 -6.488 0.000) 6.636 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 1.147 1.735 0.000) 2.080 2.583 ( 2.180 7.886 0.000) 8.182 2.597 ( 4.836 1.648 0.000) 5.109 2.651 ( -1.614 6.453 0.000) 6.652 2.736 ( -0.264 6.619 0.000) 6.624 2.817 ( -8.169 -0.894 0.000) 8.218 3.178 ( 0.562 1.612 0.000) 1.707 3.183 ( 1.545 -2.799 0.000) 3.197 3.351 ( 1.972 5.922 0.000) 6.242 3.356 ( 3.137 -4.768 0.000) 5.707 3.494 ( 0.132 10.464 0.000) 10.464 3.530 ( -3.406 8.783 0.000) 9.420 3.796 ( -1.171 -0.156 0.000) 1.182 3.841 ( -5.200 -4.194 0.000) 6.681 3.967 ( -1.247 2.879 0.000) 3.137 3.975 ( -1.944 -0.564 0.000) 2.024 4.428 ( 1.390 -5.183 0.000) 5.366 4.442 ( 0.237 -4.598 0.000) 4.604 4.722 ( 6.937 -7.518 0.000) 10.230 4.780 ( 1.622 -9.899 0.000) 10.031 5.338 ( 1.213 14.432 0.000) 14.483 5.391 ( -3.917 13.878 0.000) 14.420 5.435 ( 3.735 12.865 0.000) 13.397 5.529 ( -4.282 12.443 0.000) 13.159 5.720 ( -0.047 7.849 0.000) 7.849 5.738 ( -2.107 7.002 0.000) 7.313 5.799 ( 4.504 2.281 0.000) 5.049 5.866 ( -1.393 2.758 0.000) 3.090 6.334 ( 9.621 1.781 0.000) 9.785 6.408 ( 4.474 2.483 0.000) 5.117 6.496 ( -5.656 7.048 0.000) 9.037 6.564 ( -9.611 -0.742 0.000) 9.639 6.711 ( 4.948 3.257 0.000) 5.924 6.796 ( 2.361 4.793 0.000) 5.343 6.809 ( -4.090 0.752 0.000) 4.158 6.818 ( 1.021 1.121 0.000) 1.516 7.065 ( 0.896 11.800 0.000) 11.834 7.110 ( -3.660 15.144 0.000) 15.580 7.228 ( 3.245 8.045 0.000) 8.675 7.279 ( -1.584 9.352 0.000) 9.485 8.608 ( 5.636 7.653 0.000) 9.504 8.687 ( -1.792 3.223 0.000) 3.687 8.770 ( 4.704 4.635 0.000) 6.604 8.826 ( 0.662 7.713 0.000) 7.741 9.090 ( 3.803 4.481 0.000) 5.877 9.159 ( -0.091 4.749 0.000) 4.749 9.206 ( 1.353 7.413 0.000) 7.535 9.270 ( -6.352 7.223 0.000) 9.619 10.248 ( 2.263 -4.843 0.000) 5.346 10.261 ( 1.026 1.930 0.000) 2.185 10.339 ( 3.320 -7.688 0.000) 8.374 10.377 ( 0.586 -5.441 0.000) 5.472 10.608 ( -0.540 -4.741 0.000) 4.772 10.674 ( -7.763 2.745 0.000) 8.234 11.120 ( -1.588 -10.792 0.000) 10.908 11.155 ( -5.358 -4.043 0.000) 6.712 11.394 ( 6.489 11.210 0.000) 12.952 11.511 ( -1.295 10.842 0.000) 10.919 11.750 ( 4.775 8.941 0.000) 10.137 11.972 ( -10.628 6.675 0.000) 12.550 11.980 ( 3.760 7.401 0.000) 8.301 12.057 ( -3.386 6.147 0.000) 7.018 12.309 ( 0.013 -5.250 0.000) 5.250 12.319 ( -2.379 -7.652 0.000) 8.013 12.754 ( 6.525 -9.338 0.000) 11.392 12.758 ( 2.354 -10.594 0.000) 10.853 12.906 ( -0.391 -15.513 0.000) 15.518 13.039 ( -9.960 -11.165 0.000) 14.962 13.563 ( 9.495 6.144 0.000) 11.309 13.754 ( -8.062 6.906 0.000) 10.616 13.821 ( 9.361 2.691 0.000) 9.740 13.969 ( 9.979 -2.165 0.000) 10.211 13.995 ( -7.433 -0.007 0.000) 7.433 14.203 ( -12.786 3.398 0.000) 13.230 14.212 ( 12.851 -3.502 0.000) 13.320 14.490 ( -12.726 -1.861 0.000) 12.861 17.132 ( 5.920 0.747 0.000) 5.967 17.202 ( -1.721 -1.843 0.000) 2.521 17.228 ( 2.559 -3.791 0.000) 4.574 17.310 ( -4.423 -2.737 0.000) 5.202 17.458 ( 0.678 -5.249 0.000) 5.293 17.474 ( -0.417 -2.636 0.000) 2.668 17.657 ( 4.234 -8.177 0.000) 9.208 17.732 ( -2.868 -6.938 0.000) 7.507 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.000 0.571 0.000) 0.571 2.531 ( 0.000 0.169 0.000) 0.169 2.691 ( 0.000 12.485 0.000) 12.485 2.898 ( 0.000 5.098 0.000) 5.098 2.940 ( 0.000 -8.647 0.000) 8.647 2.969 ( 0.000 4.153 0.000) 4.153 2.987 ( 0.000 -3.893 0.000) 3.893 3.080 ( 0.000 -3.256 0.000) 3.256 3.352 ( 0.000 7.374 0.000) 7.374 3.493 ( 0.000 -6.629 0.000) 6.629 3.589 ( 0.000 11.048 0.000) 11.048 3.686 ( 0.000 11.456 0.000) 11.456 3.817 ( 0.000 -11.090 0.000) 11.090 3.912 ( 0.000 -10.763 0.000) 10.763 3.987 ( 0.000 2.354 0.000) 2.354 4.027 ( 0.000 -1.891 0.000) 1.891 4.359 ( 0.000 -0.701 0.000) 0.701 4.363 ( 0.000 -0.904 0.000) 0.904 4.366 ( 0.000 1.308 0.000) 1.308 4.440 ( 0.000 -5.957 0.000) 5.957 5.543 ( 0.000 5.539 0.000) 5.539 5.558 ( 0.000 3.794 0.000) 3.794 5.629 ( 0.000 1.348 0.000) 1.348 5.639 ( 0.000 -0.077 0.000) 0.077 5.788 ( 0.000 5.468 0.000) 5.468 5.841 ( 0.000 2.159 0.000) 2.159 5.844 ( 0.000 -0.472 0.000) 0.472 5.860 ( 0.000 0.434 0.000) 0.434 6.277 ( 0.000 6.423 0.000) 6.423 6.356 ( 0.000 -1.336 0.000) 1.336 6.670 ( 0.000 3.551 0.000) 3.551 6.716 ( 0.000 -0.891 0.000) 0.891 6.776 ( 0.000 3.961 0.000) 3.961 6.840 ( 0.000 -1.570 0.000) 1.570 6.873 ( 0.000 2.003 0.000) 2.003 6.876 ( 0.000 2.587 0.000) 2.587 7.163 ( 0.000 3.045 0.000) 3.045 7.179 ( 0.000 1.887 0.000) 1.887 7.452 ( 0.000 4.751 0.000) 4.751 7.453 ( 0.000 4.814 0.000) 4.814 8.611 ( 0.000 7.590 0.000) 7.590 8.698 ( 0.000 -0.518 0.000) 0.518 8.774 ( 0.000 6.013 0.000) 6.013 8.841 ( 0.000 -0.231 0.000) 0.231 9.095 ( 0.000 2.157 0.000) 2.157 9.134 ( 0.000 -0.960 0.000) 0.960 9.297 ( 0.000 5.392 0.000) 5.392 9.357 ( 0.000 -1.340 0.000) 1.340 10.174 ( 0.000 1.282 0.000) 1.282 10.198 ( 0.000 0.291 0.000) 0.291 10.231 ( 0.000 -2.615 0.000) 2.615 10.305 ( 0.000 -10.937 0.000) 10.937 10.591 ( 0.000 16.031 0.000) 16.031 10.944 ( 0.000 -18.235 0.000) 18.235 11.197 ( 0.000 6.928 0.000) 6.928 11.329 ( 0.000 -2.718 0.000) 2.718 11.489 ( 0.000 15.439 0.000) 15.439 11.592 ( 0.000 12.611 0.000) 12.611 11.812 ( 0.000 -8.668 0.000) 8.668 11.853 ( 0.000 -14.859 0.000) 14.859 12.046 ( 0.000 9.010 0.000) 9.010 12.197 ( 0.000 4.115 0.000) 4.115 12.201 ( 0.000 -6.177 0.000) 6.177 12.308 ( 0.000 -9.650 0.000) 9.650 12.522 ( 0.000 3.715 0.000) 3.715 12.675 ( 0.000 -11.188 0.000) 11.188 12.901 ( 0.000 9.647 0.000) 9.647 13.143 ( 0.000 -14.110 0.000) 14.110 13.531 ( 0.000 3.003 0.000) 3.003 13.539 ( 0.000 10.730 0.000) 10.730 13.573 ( 0.000 -0.653 0.000) 0.653 13.755 ( 0.000 -9.768 0.000) 9.768 14.080 ( 0.000 5.846 0.000) 5.846 14.156 ( 0.000 -1.928 0.000) 1.928 14.705 ( 0.000 2.156 0.000) 2.156 14.742 ( 0.000 -1.413 0.000) 1.413 16.984 ( 0.000 4.415 0.000) 4.415 17.079 ( 0.000 -4.957 0.000) 4.957 17.230 ( 0.000 0.195 0.000) 0.195 17.274 ( 0.000 -4.340 0.000) 4.340 17.363 ( 0.000 -1.866 0.000) 1.866 17.384 ( 0.000 -3.949 0.000) 3.949 17.570 ( 0.000 5.662 0.000) 5.662 17.679 ( 0.000 -5.148 0.000) 5.148 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 1.650 0.887 0.000) 1.873 2.550 ( 1.507 -0.393 0.000) 1.557 2.716 ( 1.915 10.865 0.000) 11.033 2.875 ( -6.077 3.113 0.000) 6.827 2.897 ( -0.069 6.334 0.000) 6.334 2.930 ( -4.097 -3.024 0.000) 5.092 3.015 ( 2.114 -5.378 0.000) 5.779 3.039 ( -1.614 -8.178 0.000) 8.336 3.371 ( 1.632 7.087 0.000) 7.273 3.504 ( 1.224 -5.825 0.000) 5.952 3.566 ( -2.216 10.522 0.000) 10.753 3.691 ( -0.258 8.823 0.000) 8.827 3.790 ( -1.687 -8.048 0.000) 8.223 3.902 ( -0.174 -8.682 0.000) 8.684 3.965 ( -2.209 4.902 0.000) 5.377 4.025 ( -0.441 -0.974 0.000) 1.069 4.380 ( 1.252 2.610 0.000) 2.895 4.381 ( 1.704 0.291 0.000) 1.729 4.435 ( 5.820 -4.406 0.000) 7.300 4.493 ( 4.191 -8.052 0.000) 9.078 5.535 ( -0.388 5.553 0.000) 5.566 5.557 ( 0.345 3.507 0.000) 3.524 5.621 ( -0.541 3.583 0.000) 3.624 5.666 ( 1.747 -0.913 0.000) 1.971 5.790 ( 0.195 5.407 0.000) 5.411 5.839 ( -0.058 3.293 0.000) 3.294 5.852 ( -0.282 -0.601 0.000) 0.664 5.878 ( 0.937 -0.665 0.000) 1.149 6.278 ( 1.624 5.674 0.000) 5.902 6.356 ( 1.164 -1.698 0.000) 2.059 6.711 ( 3.254 3.820 0.000) 5.018 6.714 ( -5.405 3.177 0.000) 6.269 6.756 ( -7.387 -0.592 0.000) 7.410 6.761 ( 3.443 -1.107 0.000) 3.617 6.854 ( -0.575 2.430 0.000) 2.497 6.873 ( -0.958 0.939 0.000) 1.341 7.196 ( 2.942 4.982 0.000) 5.786 7.238 ( 4.264 1.184 0.000) 4.425 7.415 ( -2.860 6.221 0.000) 6.847 7.444 ( -1.386 3.293 0.000) 3.573 8.652 ( 3.458 6.151 0.000) 7.056 8.724 ( 2.331 -0.725 0.000) 2.441 8.769 ( -0.345 4.942 0.000) 4.954 8.855 ( 0.445 -2.459 0.000) 2.499 9.126 ( 4.155 6.277 0.000) 7.528 9.213 ( 6.013 -0.716 0.000) 6.055 9.301 ( 0.666 6.883 0.000) 6.915 9.381 ( 1.654 -0.742 0.000) 1.813 10.183 ( -0.998 0.749 0.000) 1.248 10.196 ( 1.638 0.588 0.000) 1.740 10.243 ( 0.665 -4.424 0.000) 4.473 10.305 ( -1.104 -8.071 0.000) 8.146 10.566 ( -0.522 12.164 0.000) 12.175 10.880 ( -4.368 -17.021 0.000) 17.573 11.039 ( -11.517 8.784 0.000) 14.484 11.218 ( -10.267 -8.240 0.000) 13.165 11.556 ( 5.647 18.217 0.000) 19.072 11.662 ( 5.750 12.216 0.000) 13.502 11.849 ( 2.351 -4.836 0.000) 5.378 11.932 ( 5.425 -15.969 0.000) 16.865 12.059 ( 1.204 7.708 0.000) 7.802 12.185 ( -1.210 4.019 0.000) 4.198 12.196 ( -0.559 -5.852 0.000) 5.878 12.264 ( -4.299 -5.916 0.000) 7.313 12.531 ( 1.511 1.216 0.000) 1.940 12.659 ( -1.302 -11.003 0.000) 11.080 12.791 ( -7.719 7.791 0.000) 10.967 13.006 ( -9.993 -12.806 0.000) 16.244 13.562 ( 4.481 7.712 0.000) 8.919 13.668 ( 6.396 -1.795 0.000) 6.643 13.724 ( 12.801 3.920 0.000) 13.388 13.856 ( 9.967 -7.420 0.000) 12.425 14.025 ( -5.166 5.409 0.000) 7.480 14.100 ( -5.138 -2.212 0.000) 5.594 14.574 ( -10.799 4.529 0.000) 11.710 14.658 ( -8.312 -3.450 0.000) 9.000 17.043 ( 4.811 2.978 0.000) 5.658 17.108 ( 2.289 -3.646 0.000) 4.305 17.213 ( -1.366 0.442 0.000) 1.436 17.262 ( -1.209 -4.507 0.000) 4.666 17.379 ( 1.703 -0.527 0.000) 1.783 17.425 ( 3.726 -4.821 0.000) 6.093 17.560 ( -1.168 5.317 0.000) 5.444 17.665 ( -1.457 -5.100 0.000) 5.304 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 3.679 0.778 0.000) 3.760 2.607 ( 5.096 -0.052 0.000) 5.096 2.698 ( -4.895 3.729 0.000) 6.153 2.742 ( -6.895 0.037 0.000) 6.895 2.853 ( 0.404 7.098 0.000) 7.110 2.886 ( -1.280 7.799 0.000) 7.903 3.043 ( 0.909 -10.245 0.000) 10.285 3.049 ( 0.710 -8.140 0.000) 8.171 3.420 ( 3.218 6.867 0.000) 7.584 3.500 ( -3.945 8.126 0.000) 9.033 3.551 ( 3.357 -5.019 0.000) 6.038 3.637 ( -4.323 -2.488 0.000) 4.988 3.802 ( 2.978 5.175 0.000) 5.971 3.890 ( -4.640 7.593 0.000) 8.898 3.935 ( 3.164 -4.806 0.000) 5.754 4.000 ( -2.302 -1.751 0.000) 2.892 4.407 ( 0.975 4.143 0.000) 4.256 4.410 ( 0.759 2.949 0.000) 3.045 4.547 ( 3.776 -8.949 0.000) 9.713 4.567 ( 1.877 -10.296 0.000) 10.465 5.545 ( 1.566 6.304 0.000) 6.496 5.591 ( 3.056 2.307 0.000) 3.829 5.593 ( -2.354 6.540 0.000) 6.951 5.663 ( -2.693 0.478 0.000) 2.735 5.812 ( 1.530 2.217 0.000) 2.694 5.831 ( -0.735 3.590 0.000) 3.664 5.836 ( 0.552 0.828 0.000) 0.996 5.875 ( -1.431 -0.970 0.000) 1.729 6.382 ( 7.895 3.163 0.000) 8.505 6.433 ( 5.966 -0.966 0.000) 6.044 6.569 ( -8.846 1.091 0.000) 8.913 6.581 ( -8.010 0.983 0.000) 8.070 6.780 ( 3.011 3.328 0.000) 4.488 6.825 ( 2.230 -0.817 0.000) 2.375 6.831 ( -1.863 1.948 0.000) 2.696 6.853 ( -0.806 0.645 0.000) 1.033 7.266 ( 3.576 6.913 0.000) 7.784 7.327 ( 3.987 1.054 0.000) 4.124 7.343 ( -3.744 7.322 0.000) 8.224 7.399 ( -2.857 1.803 0.000) 3.379 8.722 ( 2.619 4.063 0.000) 4.834 8.757 ( -0.943 3.942 0.000) 4.053 8.784 ( 3.126 -1.975 0.000) 3.697 8.839 ( -1.886 -3.632 0.000) 4.093 9.250 ( 6.162 8.952 0.000) 10.868 9.318 ( -0.031 8.336 0.000) 8.336 9.335 ( 4.632 1.899 0.000) 5.006 9.393 ( -1.067 2.318 0.000) 2.552 10.175 ( 0.638 -0.510 0.000) 0.816 10.206 ( -1.315 -1.815 0.000) 2.241 10.248 ( -0.131 -6.505 0.000) 6.507 10.259 ( -1.794 -4.669 0.000) 5.001 10.618 ( 5.427 7.618 0.000) 9.354 10.793 ( -10.989 8.809 0.000) 14.084 10.854 ( 3.193 -13.886 0.000) 14.248 10.997 ( -9.590 -10.217 0.000) 14.013 11.676 ( 5.504 16.012 0.000) 16.932 11.754 ( 0.032 12.140 0.000) 12.140 11.897 ( 4.415 1.961 0.000) 4.831 12.002 ( -1.364 -12.835 0.000) 12.908 12.101 ( 2.769 3.827 0.000) 4.723 12.142 ( -1.596 3.092 0.000) 3.480 12.168 ( -3.201 0.741 0.000) 3.285 12.173 ( -1.790 -6.043 0.000) 6.303 12.600 ( 3.756 -3.931 0.000) 5.437 12.651 ( 2.519 -8.774 0.000) 9.129 12.661 ( -4.154 1.268 0.000) 4.343 12.798 ( -9.382 -11.066 0.000) 14.508 13.697 ( 8.102 6.319 0.000) 10.275 13.803 ( 7.002 -3.867 0.000) 7.999 13.877 ( -8.496 5.155 0.000) 9.938 13.960 ( -7.716 -3.035 0.000) 8.291 14.014 ( 14.335 5.255 0.000) 15.268 14.125 ( 14.433 -5.129 0.000) 15.317 14.309 ( -13.816 6.039 0.000) 15.078 14.422 ( -13.479 -4.756 0.000) 14.293 17.136 ( 3.189 0.243 0.000) 3.199 17.162 ( 3.042 -2.426 0.000) 3.891 17.181 ( -1.667 0.303 0.000) 1.695 17.223 ( -2.486 -3.869 0.000) 4.599 17.438 ( 3.769 2.409 0.000) 4.473 17.515 ( -3.153 4.347 0.000) 5.370 17.522 ( 5.001 -5.472 0.000) 7.413 17.613 ( -3.513 -5.218 0.000) 6.291 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 0.000 27.456) 27.456 0.660 ( 0.000 0.000 29.299) 29.299 1.182 ( 0.000 0.000 49.455) 49.455 1.607 ( 0.000 0.000 -10.012) 10.012 1.628 ( 0.000 0.000 25.654) 25.654 1.675 ( 0.000 0.000 -13.109) 13.109 2.129 ( 0.000 0.000 -0.598) 0.598 2.349 ( 0.000 0.000 -4.987) 4.987 2.499 ( 0.000 0.000 8.093) 8.093 2.505 ( 0.000 0.000 5.113) 5.113 2.595 ( 0.000 0.000 -0.654) 0.654 2.712 ( 0.000 0.000 6.014) 6.014 2.721 ( 0.000 0.000 -1.468) 1.468 2.935 ( 0.000 0.000 -22.489) 22.489 3.012 ( 0.000 0.000 -5.054) 5.054 3.028 ( 0.000 0.000 -9.430) 9.430 3.339 ( 0.000 0.000 -16.651) 16.651 3.346 ( 0.000 0.000 -0.221) 0.221 3.357 ( 0.000 0.000 -0.335) 0.335 3.403 ( 0.000 0.000 -15.637) 15.637 3.552 ( 0.000 0.000 3.867) 3.867 3.702 ( 0.000 0.000 -2.069) 2.069 3.981 ( 0.000 0.000 6.648) 6.648 4.307 ( 0.000 0.000 -8.225) 8.225 4.390 ( 0.000 0.000 -1.773) 1.773 4.497 ( 0.000 0.000 19.080) 19.080 4.622 ( 0.000 0.000 6.940) 6.940 4.894 ( 0.000 0.000 -0.815) 0.815 5.045 ( 0.000 0.000 2.857) 2.857 5.149 ( 0.000 0.000 12.280) 12.280 5.441 ( 0.000 0.000 -11.424) 11.424 5.961 ( 0.000 0.000 -17.584) 17.584 6.715 ( 0.000 0.000 3.457) 3.457 6.716 ( 0.000 0.000 3.273) 3.273 6.934 ( 0.000 0.000 4.977) 4.977 7.135 ( 0.000 0.000 -3.865) 3.865 7.299 ( 0.000 0.000 -1.806) 1.806 7.358 ( 0.000 0.000 0.176) 0.176 7.808 ( 0.000 0.000 10.682) 10.682 7.899 ( 0.000 0.000 4.827) 4.827 8.004 ( 0.000 0.000 3.659) 3.659 8.028 ( 0.000 0.000 -1.994) 1.994 8.302 ( 0.000 0.000 -8.202) 8.202 8.302 ( 0.000 0.000 8.107) 8.107 8.340 ( 0.000 0.000 -5.962) 5.962 8.673 ( 0.000 0.000 -2.739) 2.739 8.847 ( 0.000 0.000 5.450) 5.450 8.998 ( 0.000 0.000 -1.176) 1.176 9.163 ( 0.000 0.000 -4.229) 4.229 9.164 ( 0.000 0.000 -4.133) 4.133 9.508 ( 0.000 0.000 2.894) 2.894 9.621 ( 0.000 0.000 -1.352) 1.352 9.865 ( 0.000 0.000 11.817) 11.817 10.362 ( 0.000 0.000 -8.987) 8.987 10.489 ( 0.000 0.000 0.751) 0.751 10.538 ( 0.000 0.000 -1.026) 1.026 11.098 ( 0.000 0.000 -0.858) 0.858 11.134 ( 0.000 0.000 0.238) 0.238 11.147 ( 0.000 0.000 -0.232) 0.232 11.348 ( 0.000 0.000 -5.210) 5.210 11.522 ( 0.000 0.000 13.982) 13.982 12.062 ( 0.000 0.000 -8.926) 8.926 12.173 ( 0.000 0.000 0.399) 0.399 12.353 ( 0.000 0.000 -8.304) 8.304 13.348 ( 0.000 0.000 9.726) 9.726 13.475 ( 0.000 0.000 7.588) 7.588 13.523 ( 0.000 0.000 -2.307) 2.307 14.083 ( 0.000 0.000 -11.903) 11.903 14.266 ( 0.000 0.000 0.639) 0.639 14.297 ( 0.000 0.000 -0.368) 0.368 14.324 ( 0.000 0.000 0.324) 0.324 14.352 ( 0.000 0.000 -0.570) 0.570 14.445 ( 0.000 0.000 3.769) 3.769 14.546 ( 0.000 0.000 1.968) 1.968 14.662 ( 0.000 0.000 2.203) 2.203 14.838 ( 0.000 0.000 -3.258) 3.258 16.262 ( 0.000 0.000 1.513) 1.513 16.322 ( 0.000 0.000 -0.616) 0.616 17.159 ( 0.000 0.000 1.608) 1.608 17.346 ( 0.000 0.000 -5.742) 5.742 18.811 ( 0.000 0.000 7.272) 7.272 19.137 ( 0.000 0.000 -5.066) 5.066 19.697 ( 0.000 0.000 2.336) 2.336 19.807 ( 0.000 0.000 -1.603) 1.603 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 16.298 0.000 21.729) 27.161 0.892 ( 22.579 0.000 18.164) 28.978 1.398 ( 19.589 0.000 38.470) 43.170 1.691 ( 7.175 0.000 -11.852) 13.855 1.715 ( 3.115 0.000 -9.629) 10.120 1.792 ( 3.416 0.000 16.995) 17.335 2.007 ( -10.255 0.000 -0.976) 10.301 2.236 ( -8.036 0.000 -3.914) 8.938 2.447 ( -5.256 0.000 11.859) 12.971 2.570 ( 4.303 0.000 3.007) 5.250 2.638 ( 2.993 0.000 -1.096) 3.187 2.735 ( 1.729 0.000 4.527) 4.846 2.792 ( 2.521 0.000 -3.159) 4.042 2.955 ( -2.110 0.000 -6.572) 6.903 2.956 ( -4.666 0.000 -3.630) 5.912 3.016 ( 5.521 0.000 -16.330) 17.238 3.120 ( -14.461 0.000 -13.811) 19.997 3.362 ( 1.848 0.000 0.615) 1.948 3.411 ( 3.850 0.000 -1.408) 4.099 3.458 ( 5.044 0.000 -18.230) 18.915 3.541 ( -0.974 0.000 3.653) 3.780 3.681 ( -1.997 0.000 -1.968) 2.804 3.877 ( -3.963 0.000 7.388) 8.383 4.273 ( -1.740 0.000 2.103) 2.730 4.337 ( -6.125 0.000 -6.548) 8.967 4.567 ( 0.459 0.000 9.687) 9.698 4.837 ( 7.036 0.000 -15.164) 16.717 4.985 ( 5.979 0.000 -2.047) 6.320 5.115 ( 1.493 0.000 6.602) 6.769 5.247 ( 13.154 0.000 0.514) 13.164 5.355 ( -5.521 0.000 -2.545) 6.079 5.930 ( -3.889 0.000 -15.806) 16.277 6.708 ( 0.415 0.000 6.199) 6.213 6.752 ( 3.460 0.000 3.716) 5.078 6.910 ( 2.899 0.000 4.482) 5.338 7.053 ( -5.887 0.000 1.711) 6.130 7.263 ( -4.429 0.000 -3.307) 5.527 7.355 ( -1.426 0.000 0.311) 1.460 7.776 ( -1.825 0.000 14.116) 14.233 7.890 ( -0.645 0.000 4.562) 4.607 7.973 ( -2.610 0.000 3.474) 4.345 8.042 ( -0.367 0.000 -0.677) 0.770 8.293 ( -0.520 0.000 -7.221) 7.240 8.325 ( -1.221 0.000 -5.806) 5.933 8.569 ( 11.422 0.000 -3.922) 12.077 8.626 ( 3.012 0.000 -5.876) 6.603 8.924 ( 6.820 0.000 4.927) 8.413 8.936 ( -10.049 0.000 3.102) 10.517 9.078 ( 6.872 0.000 -1.516) 7.037 9.262 ( -0.720 0.000 -8.483) 8.514 9.456 ( -4.796 0.000 3.158) 5.742 9.577 ( -4.185 0.000 -1.419) 4.419 10.123 ( 22.497 0.000 7.962) 23.864 10.475 ( 9.289 0.000 -5.864) 10.985 10.493 ( 0.423 0.000 0.560) 0.702 10.533 ( -0.492 0.000 -0.856) 0.987 11.101 ( -0.066 0.000 -0.838) 0.840 11.138 ( 0.311 0.000 0.191) 0.365 11.148 ( 0.077 0.000 -0.186) 0.201 11.270 ( -5.079 0.000 -2.237) 5.550 11.586 ( 2.777 0.000 10.673) 11.029 12.055 ( -6.711 0.000 -7.571) 10.117 12.139 ( -2.324 0.000 1.142) 2.590 12.311 ( -0.669 0.000 -4.165) 4.219 13.298 ( -9.921 0.000 11.375) 15.094 13.373 ( -8.793 0.000 4.038) 9.676 13.503 ( -2.607 0.000 -0.998) 2.792 13.635 ( -15.565 0.000 5.120) 16.385 14.269 ( 0.334 0.000 0.614) 0.699 14.296 ( -0.164 0.000 -0.131) 0.210 14.325 ( 0.131 0.000 0.098) 0.163 14.349 ( -0.312 0.000 -0.555) 0.637 14.445 ( -0.225 0.000 2.629) 2.638 14.542 ( 1.157 0.000 0.393) 1.222 14.562 ( -3.355 0.000 2.446) 4.152 14.759 ( -4.890 0.000 -3.016) 5.745 16.474 ( 15.038 0.000 1.808) 15.146 16.742 ( 17.621 0.000 -13.648) 22.288 17.233 ( 6.136 0.000 -3.686) 7.158 17.377 ( 2.373 0.000 -5.892) 6.352 18.837 ( 2.473 0.000 6.183) 6.659 19.141 ( -0.073 0.000 -4.506) 4.507 19.452 ( -19.179 0.000 14.868) 24.267 19.604 ( -8.343 0.000 1.055) 8.409 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 19.718 0.000 13.228) 23.744 1.365 ( 19.977 0.000 19.782) 28.114 1.629 ( -15.233 0.000 7.849) 17.136 1.689 ( -10.769 0.000 20.567) 23.215 1.905 ( 12.970 0.000 -6.045) 14.310 1.906 ( 4.946 0.000 -10.979) 12.042 1.942 ( 30.536 0.000 14.649) 33.868 2.061 ( -8.422 0.000 -6.706) 10.766 2.219 ( -15.394 0.000 2.370) 15.575 2.558 ( -25.255 0.000 -2.383) 25.367 2.656 ( 3.473 0.000 1.007) 3.616 2.686 ( 0.942 0.000 -0.739) 1.197 2.771 ( 2.130 0.000 2.105) 2.995 2.848 ( -5.033 0.000 -0.933) 5.119 2.946 ( 1.684 0.000 -4.013) 4.352 2.975 ( -0.583 0.000 2.311) 2.384 3.228 ( 11.940 0.000 -9.711) 15.391 3.414 ( 2.824 0.000 1.364) 3.136 3.441 ( -7.030 0.000 -8.142) 10.756 3.460 ( -0.696 0.000 0.439) 0.823 3.546 ( 2.821 0.000 0.532) 2.870 3.622 ( -3.562 0.000 -1.552) 3.885 3.925 ( 7.633 0.000 -2.209) 7.946 4.129 ( -11.211 0.000 -9.046) 14.405 4.378 ( 11.698 0.000 -4.703) 12.608 4.638 ( 0.982 0.000 -1.662) 1.931 4.730 ( -6.342 0.000 -1.590) 6.538 4.917 ( -11.137 0.000 -5.032) 12.221 5.245 ( 6.376 0.000 1.817) 6.630 5.291 ( 0.884 0.000 1.897) 2.092 5.535 ( 11.878 0.000 -5.138) 12.942 5.775 ( -10.502 0.000 -11.529) 15.595 6.786 ( 5.576 0.000 4.026) 6.878 6.831 ( 2.499 0.000 3.659) 4.431 6.969 ( -0.235 0.000 4.379) 4.385 6.990 ( 0.142 0.000 0.622) 0.638 7.175 ( -0.600 0.000 3.197) 3.253 7.267 ( -6.485 0.000 2.870) 7.092 7.794 ( 4.309 0.000 9.238) 10.194 7.885 ( 0.489 0.000 3.970) 4.000 7.916 ( -2.376 0.000 3.487) 4.219 7.938 ( -8.065 0.000 2.937) 8.583 8.289 ( 0.154 0.000 -6.052) 6.054 8.300 ( -0.932 0.000 -5.651) 5.728 8.648 ( 4.871 0.000 -1.736) 5.171 8.755 ( -4.513 0.000 -1.461) 4.744 8.908 ( 11.178 0.000 -4.704) 12.127 9.099 ( 9.171 0.000 3.931) 9.978 9.140 ( -9.753 0.000 -8.187) 12.734 9.226 ( 3.324 0.000 -0.750) 3.407 9.340 ( -2.689 0.000 2.622) 3.756 9.454 ( -7.318 0.000 -1.371) 7.445 10.505 ( 0.672 0.000 0.102) 0.679 10.520 ( -0.707 0.000 -0.426) 0.825 10.653 ( 22.597 0.000 -0.427) 22.601 10.706 ( 11.003 0.000 -2.132) 11.208 11.063 ( -2.316 0.000 1.947) 3.026 11.145 ( 0.299 0.000 0.073) 0.308 11.149 ( -0.065 0.000 -0.069) 0.095 11.182 ( -5.280 0.000 -2.353) 5.780 11.560 ( -3.168 0.000 7.177) 7.846 11.698 ( -18.712 0.000 4.738) 19.303 12.201 ( 8.142 0.000 3.082) 8.706 12.346 ( -1.837 0.000 0.141) 1.842 13.054 ( -5.814 0.000 3.256) 6.664 13.127 ( -9.977 0.000 1.449) 10.082 13.521 ( 2.394 0.000 -1.958) 3.093 13.556 ( -0.978 0.000 -1.876) 2.115 14.279 ( 0.526 0.000 0.523) 0.742 14.289 ( -0.459 0.000 0.294) 0.545 14.330 ( 0.411 0.000 -0.298) 0.508 14.340 ( -0.484 0.000 -0.492) 0.690 14.450 ( 0.722 0.000 1.369) 1.548 14.480 ( -2.475 0.000 0.677) 2.566 14.613 ( 3.429 0.000 0.429) 3.456 14.680 ( -3.135 0.000 -1.387) 3.428 16.768 ( 11.212 0.000 1.810) 11.357 16.895 ( -0.424 0.000 -2.268) 2.308 17.350 ( 4.292 0.000 -6.323) 7.642 17.403 ( -0.612 0.000 -5.899) 5.931 18.917 ( 5.309 0.000 5.220) 7.445 19.057 ( -7.723 0.000 5.111) 9.261 19.284 ( 2.223 0.000 2.129) 3.078 19.411 ( -8.779 0.000 -0.681) 8.805 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 16.878 19.834) 26.043 0.971 ( 0.000 20.974 22.674) 30.887 1.572 ( 0.000 24.563 7.647) 25.726 1.619 ( 0.000 3.886 15.278) 15.764 1.712 ( 0.000 20.460 14.838) 25.274 1.977 ( 0.000 22.612 -6.988) 23.667 2.305 ( 0.000 15.193 -0.078) 15.193 2.455 ( 0.000 1.450 5.616) 5.800 2.580 ( 0.000 14.462 -5.562) 15.495 2.637 ( 0.000 8.059 4.225) 9.099 2.767 ( 0.000 14.112 -2.204) 14.283 2.773 ( 0.000 9.422 -0.089) 9.423 2.837 ( 0.000 -0.049 -11.613) 11.613 2.899 ( 0.000 16.321 5.526) 17.232 3.100 ( 0.000 8.099 -5.597) 9.844 3.260 ( 0.000 17.640 -7.965) 19.355 3.336 ( 0.000 1.711 -11.113) 11.244 3.345 ( 0.000 3.992 -14.761) 15.292 3.617 ( 0.000 21.930 -1.631) 21.990 3.647 ( 0.000 22.326 -3.715) 22.633 3.779 ( 0.000 14.322 2.707) 14.576 3.932 ( 0.000 20.876 -2.393) 21.013 4.012 ( 0.000 7.836 6.009) 9.875 4.334 ( 0.000 3.293 -8.850) 9.443 4.396 ( 0.000 0.814 -2.213) 2.358 4.492 ( 0.000 0.528 19.555) 19.562 4.618 ( 0.000 -0.010 5.354) 5.354 4.872 ( 0.000 -2.080 -0.285) 2.100 5.028 ( 0.000 -1.761 1.144) 2.099 5.177 ( 0.000 3.042 13.023) 13.374 5.400 ( 0.000 -3.803 -11.361) 11.980 5.892 ( 0.000 -5.415 -14.486) 15.465 6.637 ( 0.000 -9.508 10.741) 14.345 6.723 ( 0.000 0.816 3.271) 3.371 6.747 ( 0.000 -0.200 4.706) 4.710 7.012 ( 0.000 -9.794 -3.918) 10.549 7.240 ( 0.000 -5.289 -0.366) 5.301 7.255 ( 0.000 -6.602 2.275) 6.983 7.602 ( 0.000 -12.495 4.571) 13.305 7.808 ( 0.000 -14.047 -4.616) 14.786 8.147 ( 0.000 -1.708 3.366) 3.775 8.356 ( 0.000 16.431 -11.387) 19.991 8.373 ( 0.000 13.560 4.450) 14.271 8.441 ( 0.000 12.783 1.308) 12.850 8.550 ( 0.000 8.583 -9.225) 12.600 8.662 ( 0.000 3.675 0.860) 3.774 9.111 ( 0.000 -1.847 -5.140) 5.462 9.112 ( 0.000 9.223 -1.792) 9.396 9.138 ( 0.000 11.581 0.390) 11.587 9.262 ( 0.000 21.367 -0.888) 21.385 9.668 ( 0.000 14.843 2.154) 14.998 9.744 ( 0.000 10.889 -0.490) 10.900 9.830 ( 0.000 -1.300 13.025) 13.090 10.367 ( 0.000 0.353 -7.427) 7.435 10.536 ( 0.000 3.916 -0.096) 3.917 10.610 ( 0.000 6.039 -2.916) 6.706 11.020 ( 0.000 -7.823 2.294) 8.153 11.054 ( 0.000 -3.335 0.744) 3.417 11.224 ( 0.000 7.113 -2.139) 7.428 11.348 ( 0.000 -0.401 -4.772) 4.788 11.566 ( 0.000 3.511 12.191) 12.687 12.050 ( 0.000 -1.825 -7.498) 7.717 12.224 ( 0.000 4.532 1.442) 4.756 12.586 ( 0.000 12.424 -19.778) 23.356 13.357 ( 0.000 -12.976 8.628) 15.583 13.385 ( 0.000 2.238 7.221) 7.560 13.482 ( 0.000 -5.759 -2.420) 6.247 13.820 ( 0.000 -21.507 -2.274) 21.627 13.965 ( 0.000 -11.435 7.672) 13.770 14.144 ( 0.000 -7.378 -6.277) 9.687 14.221 ( 0.000 -5.610 2.922) 6.325 14.324 ( 0.000 0.973 -1.944) 2.174 14.504 ( 0.000 2.213 4.650) 5.149 14.571 ( 0.000 -1.859 3.837) 4.263 14.679 ( 0.000 -1.408 -0.744) 1.592 14.778 ( 0.000 -6.094 -3.075) 6.825 16.502 ( 0.000 14.433 1.156) 14.480 16.742 ( 0.000 22.430 -15.247) 27.121 17.241 ( 0.000 7.728 -5.749) 9.632 17.336 ( 0.000 -0.826 -4.749) 4.820 18.739 ( 0.000 -6.966 6.709) 9.672 19.040 ( 0.000 -9.502 -4.390) 10.467 19.410 ( 0.000 -26.714 16.291) 31.290 19.549 ( 0.000 -14.012 1.243) 14.068 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 15.914 11.999 16.241) 25.709 1.122 ( 12.742 16.409 20.214) 28.986 1.656 ( 7.154 6.897 -7.192) 12.267 1.721 ( 6.449 10.390 17.625) 21.452 1.882 ( 12.008 24.220 13.640) 30.280 2.007 ( 1.558 20.947 -4.612) 21.505 2.193 ( -9.227 15.375 0.148) 17.931 2.391 ( -6.125 7.758 2.639) 10.231 2.514 ( -3.978 11.869 3.543) 13.010 2.711 ( 5.061 8.429 1.068) 9.889 2.748 ( -0.667 7.742 -4.020) 8.749 2.838 ( 2.278 4.409 -1.125) 5.088 2.875 ( 1.734 9.915 -3.062) 10.521 2.949 ( 3.156 14.455 1.112) 14.838 3.019 ( -4.488 6.130 -2.572) 8.021 3.136 ( -10.265 4.273 -11.144) 15.743 3.247 ( -0.693 18.404 -6.600) 19.564 3.483 ( 6.765 4.521 -15.217) 17.256 3.642 ( 1.413 21.795 -2.604) 21.995 3.666 ( 1.769 21.714 -3.325) 22.038 3.751 ( -1.083 16.629 3.842) 17.101 3.910 ( -2.647 18.076 -0.714) 18.282 3.915 ( -3.776 10.069 3.635) 11.352 4.292 ( -2.620 2.882 3.506) 5.241 4.329 ( -6.348 -0.028 -7.796) 10.054 4.536 ( 2.067 -1.642 11.241) 11.546 4.779 ( 6.261 -3.468 -10.693) 12.867 4.966 ( 6.369 -1.714 -1.561) 6.777 5.104 ( 4.314 -1.611 4.128) 6.184 5.218 ( 6.347 -0.055 7.061) 9.495 5.322 ( -5.079 -2.868 -2.391) 6.304 5.843 ( -5.187 -7.141 -12.712) 15.475 6.650 ( 2.737 -4.687 7.096) 8.934 6.748 ( 2.848 -0.077 3.671) 4.647 6.829 ( 5.409 -2.895 3.076) 6.863 6.947 ( -3.668 -7.832 0.678) 8.675 7.216 ( -3.985 -4.153 -2.626) 6.326 7.254 ( -0.499 -6.656 0.110) 6.675 7.586 ( 0.538 -11.625 9.019) 14.723 7.850 ( 1.517 -12.887 -3.861) 13.538 8.200 ( 2.934 8.546 0.446) 9.047 8.318 ( -2.264 22.915 -1.868) 23.102 8.418 ( -1.253 14.094 0.303) 14.153 8.422 ( 2.632 2.075 -2.072) 3.940 8.591 ( -5.179 3.423 -1.857) 6.479 8.642 ( 7.997 6.488 -8.703) 13.483 8.869 ( -10.892 -5.362 3.069) 12.522 9.166 ( 4.077 20.776 4.357) 21.616 9.229 ( -0.015 -0.474 -9.096) 9.108 9.311 ( 4.307 18.878 -1.441) 19.417 9.615 ( -4.701 14.346 2.680) 15.332 9.697 ( -4.299 11.096 -0.548) 11.912 10.057 ( 18.722 -3.751 9.449) 21.304 10.450 ( 7.277 -0.933 -5.531) 9.188 10.553 ( 1.174 3.434 -0.285) 3.640 10.621 ( 2.173 7.954 -2.291) 8.558 11.006 ( -1.837 -7.092 2.252) 7.665 11.045 ( 0.617 -4.553 0.883) 4.679 11.213 ( -2.345 4.496 0.046) 5.071 11.297 ( -1.362 2.225 -2.510) 3.620 11.634 ( 3.066 3.352 10.267) 11.227 12.067 ( -2.277 -1.112 -7.481) 7.898 12.199 ( -1.560 4.428 0.945) 4.789 12.439 ( -10.637 8.989 -10.949) 17.715 13.248 ( -9.902 -8.215 7.740) 15.015 13.330 ( -8.293 -1.832 7.279) 11.186 13.458 ( -0.532 -5.053 -2.453) 5.642 13.651 ( -8.786 0.324 1.266) 8.883 13.980 ( 1.579 -16.713 2.333) 16.949 14.057 ( -2.295 -14.030 -2.074) 14.367 14.232 ( -3.897 -6.107 0.573) 7.267 14.298 ( -0.763 -0.853 -0.983) 1.509 14.450 ( 0.080 -1.254 2.408) 2.716 14.580 ( -0.525 -0.549 -1.857) 2.006 14.665 ( 1.697 1.644 3.682) 4.375 14.830 ( 0.768 1.798 -2.428) 3.117 16.620 ( 10.351 11.646 2.092) 15.721 16.877 ( 7.137 9.052 -9.428) 14.892 17.294 ( 3.944 4.524 -6.503) 8.849 17.380 ( 3.252 0.791 -6.015) 6.883 18.760 ( 2.064 -7.367 5.804) 9.603 19.035 ( -1.141 -10.390 -2.730) 10.803 19.253 ( -9.572 -16.066 14.499) 23.663 19.465 ( -7.271 -13.063 0.246) 14.952 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 17.969 10.258 13.252) 24.571 1.444 ( 17.936 8.088 15.823) 25.248 1.657 ( -7.179 3.543 9.997) 12.807 1.846 ( -14.562 11.599 11.217) 21.735 1.958 ( 12.726 5.476 -5.372) 14.859 2.129 ( 6.418 18.212 -9.796) 21.652 2.195 ( 14.637 23.989 9.432) 29.643 2.221 ( -9.051 9.556 -3.442) 13.605 2.348 ( -9.965 16.576 -2.305) 19.477 2.604 ( -17.047 7.582 -1.202) 18.695 2.797 ( 0.708 7.888 -1.891) 8.143 2.809 ( 0.983 12.512 0.782) 12.575 2.926 ( 3.104 12.575 0.953) 12.988 2.976 ( -1.193 12.614 1.387) 12.746 2.990 ( 1.909 4.659 3.859) 6.344 3.040 ( -1.564 8.315 -0.732) 8.493 3.316 ( 7.757 11.237 -5.268) 14.635 3.488 ( -6.395 6.447 -5.038) 10.385 3.678 ( 2.070 22.051 -1.881) 22.228 3.701 ( 0.514 20.391 -2.359) 20.533 3.773 ( 2.939 19.611 0.383) 19.834 3.848 ( -3.665 20.019 -1.109) 20.382 3.939 ( 6.400 4.809 -2.220) 8.307 4.124 ( -10.454 1.173 -7.390) 12.856 4.375 ( 10.179 0.371 -4.465) 11.122 4.611 ( -1.288 -1.814 -3.734) 4.346 4.714 ( -2.378 -1.112 -0.029) 2.625 4.907 ( -10.948 -0.801 -4.140) 11.732 5.239 ( 5.716 -0.453 1.366) 5.894 5.266 ( 1.819 -2.268 1.509) 3.276 5.441 ( 10.629 -6.599 0.976) 12.549 5.672 ( -10.610 -8.277 -7.561) 15.435 6.752 ( 5.692 -2.712 3.480) 7.202 6.807 ( 1.315 -2.015 3.396) 4.162 6.895 ( 1.172 -5.738 3.500) 6.823 6.928 ( -0.057 -5.355 0.318) 5.365 7.137 ( -0.738 -2.513 1.768) 3.160 7.198 ( -4.439 -4.671 1.366) 6.587 7.656 ( 6.030 -8.449 5.756) 11.869 7.801 ( -6.183 -9.270 -0.574) 11.158 8.239 ( 1.175 21.042 0.009) 21.075 8.270 ( -2.111 26.111 0.277) 26.197 8.391 ( -0.311 9.068 -0.883) 9.117 8.418 ( -2.913 7.366 -1.265) 8.021 8.575 ( 4.733 -4.860 -1.259) 6.900 8.688 ( -5.427 -3.703 0.900) 6.631 8.881 ( 11.280 -1.405 -6.683) 13.186 9.112 ( -9.633 -1.714 -9.324) 13.516 9.293 ( 7.408 16.974 4.427) 19.042 9.411 ( 1.832 15.588 -0.181) 15.696 9.499 ( -3.174 14.597 2.415) 15.132 9.585 ( -6.057 11.925 -0.609) 13.389 10.419 ( 10.967 -5.247 2.270) 12.367 10.533 ( -2.015 1.204 -1.597) 2.839 10.653 ( 9.780 -2.005 -2.125) 10.207 10.724 ( 4.384 1.988 -3.732) 6.091 10.983 ( 1.712 -4.601 5.990) 7.744 11.094 ( -5.083 1.716 4.525) 7.019 11.153 ( 8.969 1.231 -0.447) 9.064 11.326 ( 0.964 6.047 -4.080) 7.358 11.604 ( -4.420 3.157 6.723) 8.643 11.748 ( -21.675 3.524 1.557) 22.014 12.241 ( 7.218 3.284 1.445) 8.060 12.369 ( -1.905 1.667 -1.543) 2.964 13.050 ( -4.805 -0.590 3.181) 5.792 13.116 ( -9.049 -0.945 1.879) 9.290 13.482 ( 2.206 -4.760 -3.168) 6.129 13.541 ( -3.508 -1.882 -3.424) 5.251 14.015 ( 2.027 -18.005 2.107) 18.240 14.054 ( -0.632 -14.139 1.937) 14.285 14.178 ( 0.792 -9.283 -0.718) 9.344 14.242 ( -3.800 -4.445 -1.976) 6.173 14.504 ( 3.508 1.643 1.641) 4.207 14.563 ( -1.807 1.961 0.043) 2.667 14.726 ( 3.812 4.387 0.905) 5.881 14.802 ( -2.966 4.546 -1.409) 5.608 16.841 ( 8.927 6.338 1.747) 11.086 16.946 ( -0.810 4.406 -1.511) 4.728 17.373 ( 3.293 1.635 -5.235) 6.397 17.416 ( -0.391 1.236 -5.488) 5.639 18.829 ( 4.535 -8.464 4.812) 10.741 18.946 ( -6.358 -10.440 5.003) 13.208 19.182 ( 2.457 -9.705 1.395) 10.108 19.296 ( -7.718 -11.003 -0.886) 13.469 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 20.019 12.003) 23.342 1.401 ( 0.000 20.981 13.127) 24.749 1.802 ( 0.000 14.103 10.521) 17.595 1.818 ( 0.000 11.830 -6.326) 13.416 2.381 ( 0.000 12.173 -12.067) 17.140 2.484 ( 0.000 5.176 5.461) 7.524 2.538 ( 0.000 37.963 15.386) 40.962 2.643 ( 0.000 13.933 0.012) 13.933 2.710 ( 0.000 6.386 -11.373) 13.043 2.763 ( 0.000 10.268 1.576) 10.389 3.016 ( 0.000 5.885 -7.718) 9.706 3.114 ( 0.000 20.033 0.176) 20.034 3.175 ( 0.000 26.459 -0.151) 26.459 3.293 ( 0.000 19.038 2.296) 19.176 3.360 ( 0.000 19.439 -1.632) 19.508 3.482 ( 0.000 16.177 -7.198) 17.706 3.577 ( 0.000 19.431 -0.803) 19.447 3.730 ( 0.000 23.189 -5.164) 23.757 3.863 ( 0.000 7.410 7.397) 10.471 4.140 ( 0.000 24.864 -1.973) 24.942 4.225 ( 0.000 20.309 4.368) 20.773 4.329 ( 0.000 10.400 -11.372) 15.410 4.349 ( 0.000 17.555 0.950) 17.581 4.454 ( 0.000 7.409 -1.533) 7.566 4.584 ( 0.000 12.231 11.383) 16.708 4.597 ( 0.000 28.677 -4.415) 29.015 4.686 ( 0.000 8.938 -2.363) 9.245 4.840 ( 0.000 3.417 5.337) 6.337 4.995 ( 0.000 0.129 0.723) 0.735 5.268 ( 0.000 2.984 2.427) 3.846 5.315 ( 0.000 -0.902 -2.422) 2.584 5.772 ( 0.000 -6.078 -9.383) 11.180 6.503 ( 0.000 -4.891 6.875) 8.437 6.737 ( 0.000 -1.038 1.427) 1.765 6.779 ( 0.000 2.569 2.708) 3.733 6.814 ( 0.000 -7.812 -0.884) 7.862 7.104 ( 0.000 -7.795 0.551) 7.814 7.116 ( 0.000 -6.465 1.562) 6.651 7.377 ( 0.000 -9.410 0.018) 9.410 7.526 ( 0.000 -13.639 -4.838) 14.472 8.046 ( 0.000 -5.779 6.355) 8.589 8.407 ( 0.000 -5.948 -6.964) 9.158 8.488 ( 0.000 1.256 0.833) 1.507 8.663 ( 0.000 4.205 -7.016) 8.180 8.747 ( 0.000 -0.350 2.604) 2.628 8.858 ( 0.000 18.631 3.326) 18.925 9.073 ( 0.000 -0.204 -6.244) 6.247 9.198 ( 0.000 11.673 -5.568) 12.933 9.680 ( 0.000 28.017 3.145) 28.193 9.777 ( 0.000 26.150 -0.839) 26.163 9.872 ( 0.000 7.604 13.794) 15.751 10.013 ( 0.000 12.618 0.981) 12.656 10.039 ( 0.000 20.115 0.120) 20.116 10.393 ( 0.000 3.096 -3.735) 4.851 10.630 ( 0.000 5.464 -0.511) 5.488 10.737 ( 0.000 6.190 -6.338) 8.859 10.905 ( 0.000 -2.589 3.279) 4.178 10.989 ( 0.000 -2.674 -0.109) 2.676 11.333 ( 0.000 -0.535 0.180) 0.564 11.417 ( 0.000 11.398 -2.726) 11.719 11.643 ( 0.000 4.247 7.676) 8.773 11.987 ( 0.000 -4.220 -5.085) 6.608 12.328 ( 0.000 5.076 2.811) 5.802 12.706 ( 0.000 0.238 -13.405) 13.407 13.036 ( 0.000 -14.083 0.433) 14.090 13.196 ( 0.000 -17.505 -6.398) 18.637 13.404 ( 0.000 -1.552 11.034) 11.143 13.555 ( 0.000 -5.713 7.800) 9.669 13.975 ( 0.000 7.274 -1.842) 7.504 14.015 ( 0.000 -6.194 -7.605) 9.808 14.072 ( 0.000 -8.774 4.846) 10.024 14.328 ( 0.000 -1.511 -2.062) 2.556 14.456 ( 0.000 -9.054 0.095) 9.054 14.523 ( 0.000 -1.214 2.465) 2.748 14.592 ( 0.000 -5.702 1.182) 5.823 14.614 ( 0.000 -9.016 -2.954) 9.488 16.771 ( 0.000 10.301 2.322) 10.559 16.992 ( 0.000 6.200 -5.741) 8.450 17.324 ( 0.000 -0.166 -2.125) 2.131 17.390 ( 0.000 5.059 -10.077) 11.275 18.540 ( 0.000 -12.364 5.260) 13.436 18.761 ( 0.000 -17.470 0.121) 17.470 18.932 ( 0.000 -20.841 10.914) 23.526 19.172 ( 0.000 -22.026 -0.534) 22.032 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 9.334 18.759 9.928) 23.186 1.481 ( 7.919 17.955 12.622) 23.332 1.779 ( 1.648 10.216 0.848) 10.383 1.954 ( 6.683 13.338 1.038) 14.955 2.406 ( 1.058 13.908 -13.246) 19.236 2.436 ( -8.705 8.258 6.520) 13.656 2.519 ( -4.153 8.843 -0.376) 9.777 2.655 ( 3.776 32.131 9.168) 33.626 2.736 ( 3.012 6.848 -4.909) 8.947 2.793 ( 3.516 9.421 0.642) 10.076 2.943 ( -0.565 11.774 -2.947) 12.150 3.136 ( -1.279 23.313 0.242) 23.350 3.195 ( -1.165 17.885 -2.577) 18.107 3.262 ( -3.580 17.593 0.532) 17.961 3.350 ( 2.195 21.535 2.826) 21.830 3.395 ( -4.400 20.910 -3.021) 21.580 3.662 ( 5.101 13.870 -3.176) 15.116 3.694 ( -2.648 23.355 -3.888) 23.824 3.863 ( -0.819 6.898 7.079) 9.918 4.103 ( -4.479 13.934 -5.297) 15.566 4.216 ( -1.786 19.117 -3.608) 19.537 4.265 ( 3.035 23.024 4.995) 23.755 4.356 ( 1.219 10.135 -10.198) 14.429 4.464 ( -3.885 22.812 -1.665) 23.200 4.501 ( -2.364 20.951 3.618) 21.392 4.648 ( 0.728 19.106 5.633) 19.932 4.772 ( 3.584 6.434 -5.423) 9.146 4.937 ( 6.743 0.665 -1.460) 6.931 5.067 ( 6.600 -0.661 3.335) 7.424 5.220 ( -4.799 -3.018 -4.685) 7.354 5.307 ( 0.967 4.964 8.360) 9.771 5.689 ( -7.242 -7.311 -7.029) 12.462 6.563 ( 5.288 -4.093 4.763) 8.210 6.734 ( 0.280 -3.900 0.476) 3.939 6.789 ( -0.637 -1.761 2.157) 2.857 6.807 ( 1.038 -3.125 1.640) 3.679 7.110 ( -0.429 -5.599 -1.345) 5.774 7.133 ( 0.286 -5.095 -2.102) 5.519 7.360 ( 1.703 -10.420 5.441) 11.877 7.583 ( 2.927 -13.324 -4.351) 14.319 8.172 ( 9.950 -5.291 4.056) 11.978 8.361 ( -0.400 -5.153 0.334) 5.179 8.553 ( 0.985 0.872 -4.280) 4.477 8.701 ( 4.114 1.118 -5.147) 6.683 8.737 ( -0.922 1.934 -0.594) 2.223 8.834 ( -2.660 15.564 1.499) 15.861 8.890 ( -9.467 13.351 0.775) 16.385 9.242 ( -1.444 4.654 -9.809) 10.953 9.690 ( 1.074 27.439 3.114) 27.636 9.776 ( 0.367 24.007 -0.491) 24.015 9.915 ( -0.377 11.229 5.553) 12.532 9.955 ( -4.276 11.599 1.260) 12.426 10.124 ( 10.328 14.820 5.333) 18.835 10.476 ( 7.227 5.020 -4.367) 9.824 10.619 ( -0.426 2.876 0.207) 2.915 10.786 ( 2.319 6.086 -0.820) 6.564 10.904 ( 1.421 -0.766 -0.652) 1.741 10.978 ( 0.595 -2.020 -0.258) 2.121 11.271 ( -4.762 1.844 3.765) 6.344 11.419 ( 0.445 9.219 -3.038) 9.717 11.702 ( 3.133 3.658 7.343) 8.782 12.000 ( -1.090 -5.227 -5.157) 7.423 12.291 ( -2.181 4.239 1.565) 5.018 12.546 ( -12.742 1.358 -9.614) 16.019 13.030 ( -0.745 -10.559 0.756) 10.612 13.192 ( -1.185 -12.670 -4.240) 13.413 13.343 ( -4.717 -3.279 7.428) 9.390 13.578 ( 1.320 -4.364 6.209) 7.703 13.805 ( -11.511 -7.962 -2.255) 14.177 13.951 ( -0.273 5.795 -1.647) 6.030 14.122 ( -9.138 -4.696 -0.148) 10.275 14.282 ( -0.619 -0.976 -2.109) 2.405 14.366 ( -0.591 -7.504 0.697) 7.559 14.473 ( 1.317 -9.281 -1.382) 9.475 14.633 ( 4.835 -3.915 3.531) 7.154 14.775 ( 3.991 -6.336 -1.926) 7.732 16.842 ( 6.029 8.734 2.039) 10.807 17.018 ( 1.963 4.944 -4.178) 6.764 17.340 ( 1.958 0.642 -2.185) 3.003 17.429 ( 2.281 2.694 -7.397) 8.196 18.551 ( 1.169 -12.852 4.675) 13.726 18.739 ( -2.316 -17.738 2.378) 18.046 18.905 ( -1.362 -17.851 6.181) 18.940 19.112 ( -5.194 -20.790 -0.933) 21.450 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 18.859 12.742 7.422) 23.940 1.682 ( 10.649 13.990 11.309) 20.905 1.793 ( -2.311 10.207 5.225) 11.697 2.053 ( -11.879 10.208 5.276) 16.527 2.128 ( 0.003 9.897 -3.167) 10.391 2.337 ( -10.891 6.054 -3.493) 12.941 2.522 ( 5.441 14.102 -11.559) 19.029 2.658 ( -6.374 12.965 -10.014) 17.578 2.771 ( 7.953 15.831 2.217) 17.854 2.908 ( -1.162 18.908 1.788) 19.028 3.036 ( 4.702 19.754 6.966) 21.467 3.084 ( -4.612 14.278 6.046) 16.177 3.126 ( 2.791 19.551 1.460) 19.804 3.214 ( -2.537 19.429 -3.588) 19.920 3.364 ( 1.320 21.035 0.713) 21.089 3.387 ( -0.125 20.704 2.859) 20.901 3.659 ( 0.327 19.451 -0.171) 19.455 3.705 ( -2.168 14.055 1.448) 14.295 3.874 ( 3.904 4.973 0.030) 6.323 3.997 ( -6.403 4.726 -5.857) 9.881 4.239 ( 4.711 16.457 -6.565) 18.334 4.330 ( -0.872 27.706 -2.590) 27.841 4.374 ( 2.137 22.641 -5.115) 23.310 4.425 ( -1.483 31.830 -2.800) 31.987 4.501 ( 4.921 18.406 3.028) 19.292 4.669 ( -3.794 13.893 -3.172) 14.747 4.720 ( 0.159 3.928 2.018) 4.419 4.897 ( -10.030 0.517 -3.106) 10.512 5.226 ( 4.574 -0.256 0.582) 4.618 5.235 ( 6.607 0.175 -0.028) 6.610 5.350 ( 3.651 -0.992 4.966) 6.243 5.510 ( -9.260 -6.761 -2.292) 11.692 6.689 ( 5.860 -3.642 2.272) 7.264 6.752 ( 0.968 -5.544 1.386) 5.796 6.778 ( -0.606 -3.084 2.838) 4.235 6.804 ( -1.967 -6.402 1.339) 6.830 7.096 ( 0.234 -1.626 -1.049) 1.949 7.118 ( -1.349 -2.810 -0.943) 3.256 7.465 ( 6.831 -10.534 3.059) 12.923 7.584 ( -3.343 -12.068 -1.969) 12.676 8.318 ( 4.468 -3.538 0.926) 5.774 8.448 ( -7.421 -3.835 1.652) 8.515 8.490 ( 9.946 -3.811 2.160) 10.868 8.665 ( -5.147 2.836 2.361) 6.333 8.779 ( -0.847 16.853 -2.045) 16.997 8.793 ( -2.068 20.306 0.802) 20.426 8.877 ( 10.478 1.046 -9.115) 13.927 9.106 ( -10.267 1.931 -9.977) 14.446 9.731 ( 2.806 24.587 3.369) 24.974 9.778 ( -0.695 19.302 1.853) 19.404 9.865 ( -2.414 19.073 1.280) 19.267 9.875 ( -2.897 15.101 0.980) 15.408 10.389 ( 11.843 3.944 2.928) 12.821 10.564 ( -4.871 1.797 -0.247) 5.198 10.639 ( 6.844 2.797 -3.438) 8.154 10.783 ( -5.679 4.358 -5.050) 8.760 10.954 ( 9.093 0.467 7.723) 11.939 11.144 ( -6.304 3.094 8.049) 10.681 11.198 ( 16.447 3.047 -2.412) 16.900 11.443 ( 0.194 5.711 -3.822) 6.875 11.675 ( -4.770 4.196 4.193) 7.612 11.781 ( -18.114 -0.635 -0.680) 18.138 12.302 ( 4.360 2.278 -0.372) 4.933 12.387 ( -2.690 -0.083 -3.128) 4.127 13.016 ( 0.591 -2.689 1.827) 3.305 13.097 ( -6.560 -0.734 2.843) 7.187 13.320 ( 3.400 -9.416 -5.514) 11.430 13.468 ( -10.184 -4.351 -6.773) 12.981 13.730 ( 4.385 -9.257 8.013) 13.005 13.865 ( -7.930 -5.480 7.883) 12.452 14.058 ( 4.777 -1.755 -4.849) 7.029 14.182 ( -6.257 -1.874 -5.059) 8.262 14.464 ( 4.756 -5.643 1.203) 7.478 14.510 ( 0.459 -6.758 0.079) 6.774 14.716 ( 3.688 -4.907 1.230) 6.261 14.785 ( -2.225 -5.566 -1.116) 6.097 16.975 ( 5.523 5.779 0.949) 8.050 17.040 ( -0.620 4.225 -1.266) 4.454 17.397 ( 2.979 0.723 -1.919) 3.617 17.444 ( -1.070 1.098 -3.553) 3.870 18.593 ( 2.913 -14.221 3.649) 14.968 18.668 ( -3.964 -16.207 3.819) 17.116 18.912 ( 2.127 -16.404 0.359) 16.545 18.992 ( -5.385 -18.200 -1.149) 19.015 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.000 17.812 7.311) 19.254 1.792 ( 0.000 17.308 2.016) 17.425 2.101 ( 0.000 15.614 2.671) 15.841 2.158 ( 0.000 19.822 5.197) 20.492 2.497 ( 0.000 2.020 -3.406) 3.961 2.534 ( 0.000 1.913 3.522) 4.008 2.742 ( 0.000 5.858 -9.539) 11.195 2.795 ( 0.000 5.555 -4.883) 7.396 2.999 ( 0.000 7.651 -8.424) 11.380 3.051 ( 0.000 0.107 -10.536) 10.537 3.448 ( 0.000 36.475 9.445) 37.679 3.496 ( 0.000 13.820 2.051) 13.972 3.579 ( 0.000 9.533 1.683) 9.680 3.701 ( 0.000 24.297 2.362) 24.412 3.803 ( 0.000 15.552 6.381) 16.811 3.858 ( 0.000 25.293 1.486) 25.337 3.992 ( 0.000 18.593 10.027) 21.125 4.082 ( 0.000 19.241 -1.596) 19.307 4.316 ( 0.000 26.233 -2.029) 26.312 4.378 ( 0.000 4.697 9.684) 10.763 4.400 ( 0.000 5.287 -6.978) 8.755 4.562 ( 0.000 11.786 -5.921) 13.190 4.591 ( 0.000 7.761 2.970) 8.310 4.685 ( 0.000 11.534 -5.894) 12.953 4.711 ( 0.000 2.539 -4.570) 5.228 5.118 ( 0.000 33.083 0.965) 33.097 5.121 ( 0.000 2.208 -11.276) 11.490 5.160 ( 0.000 17.477 1.207) 17.518 5.283 ( 0.000 25.846 2.970) 26.016 5.353 ( 0.000 27.345 -0.212) 27.346 5.520 ( 0.000 18.040 4.327) 18.552 5.688 ( 0.000 1.622 -2.707) 3.156 6.406 ( 0.000 -5.009 4.252) 6.570 6.592 ( 0.000 -8.937 -2.243) 9.214 6.782 ( 0.000 0.038 4.679) 4.679 6.842 ( 0.000 3.539 1.806) 3.973 6.945 ( 0.000 -7.101 0.766) 7.142 7.010 ( 0.000 -3.982 -0.669) 4.037 7.224 ( 0.000 -5.782 -1.611) 6.002 7.264 ( 0.000 -11.914 -2.914) 12.265 7.955 ( 0.000 -2.390 4.850) 5.407 8.272 ( 0.000 -5.979 -7.305) 9.439 8.488 ( 0.000 0.117 3.868) 3.870 8.624 ( 0.000 -4.105 3.051) 5.115 8.802 ( 0.000 4.283 -3.822) 5.740 8.983 ( 0.000 -0.769 -7.611) 7.650 9.207 ( 0.000 7.583 4.245) 8.690 9.431 ( 0.000 8.519 -4.776) 9.766 10.087 ( 0.000 10.293 9.372) 13.921 10.133 ( 0.000 12.034 6.100) 13.492 10.152 ( 0.000 9.420 2.650) 9.786 10.249 ( 0.000 14.047 1.327) 14.109 10.432 ( 0.000 15.227 -5.318) 16.129 10.566 ( 0.000 16.988 -1.346) 17.041 10.754 ( 0.000 5.881 1.647) 6.107 10.841 ( 0.000 -2.641 -4.390) 5.123 10.941 ( 0.000 11.410 -5.084) 12.491 10.978 ( 0.000 3.378 -3.426) 4.811 11.357 ( 0.000 3.378 7.630) 8.344 11.642 ( 0.000 9.476 -4.097) 10.324 11.772 ( 0.000 9.333 3.384) 9.927 11.908 ( 0.000 -2.240 -1.042) 2.471 12.418 ( 0.000 4.063 3.240) 5.197 12.626 ( 0.000 -6.786 -2.320) 7.172 12.868 ( 0.000 -2.954 -6.893) 7.500 12.977 ( 0.000 -3.257 -8.852) 9.433 13.313 ( 0.000 -7.417 11.444) 13.637 13.485 ( 0.000 -1.064 12.658) 12.703 13.843 ( 0.000 -12.213 -7.771) 14.476 13.881 ( 0.000 -9.633 6.281) 11.500 14.131 ( 0.000 5.809 -8.974) 10.690 14.167 ( 0.000 -13.308 3.774) 13.833 14.307 ( 0.000 -6.300 -6.157) 8.808 14.390 ( 0.000 -9.516 -3.746) 10.227 14.507 ( 0.000 -1.488 1.972) 2.470 14.510 ( 0.000 -2.049 2.403) 3.158 16.897 ( 0.000 2.502 1.830) 3.100 17.074 ( 0.000 2.565 -5.080) 5.690 17.334 ( 0.000 1.074 0.997) 1.466 17.442 ( 0.000 0.789 -4.397) 4.467 18.258 ( 0.000 -15.057 3.564) 15.473 18.378 ( 0.000 -19.353 3.248) 19.624 18.523 ( 0.000 -20.163 2.853) 20.364 18.703 ( 0.000 -23.388 -1.622) 23.444 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 7.097 17.646 5.437) 19.781 1.817 ( 3.520 15.332 0.963) 15.760 2.067 ( -0.061 16.705 5.457) 17.574 2.263 ( 5.689 16.614 0.495) 17.568 2.552 ( 1.940 3.008 -6.781) 7.668 2.570 ( 3.976 3.786 6.405) 8.436 2.621 ( -12.491 6.236 -3.696) 14.442 2.796 ( 0.001 3.776 -3.158) 4.923 2.857 ( -3.828 4.887 -8.677) 10.669 3.111 ( 0.511 4.458 -10.435) 11.359 3.475 ( 2.272 18.617 5.679) 19.596 3.513 ( 1.188 17.374 6.147) 18.468 3.598 ( 1.776 19.772 1.215) 19.889 3.676 ( -3.301 23.070 1.710) 23.368 3.756 ( -2.883 21.340 2.355) 21.662 3.832 ( -3.220 18.610 0.547) 18.895 3.982 ( -0.189 15.188 9.955) 18.160 4.068 ( -0.589 19.327 -0.269) 19.337 4.214 ( -6.150 18.108 -0.194) 19.125 4.285 ( -4.884 12.103 1.067) 13.094 4.427 ( -3.746 9.687 1.380) 10.478 4.565 ( 5.531 7.916 -5.014) 10.881 4.608 ( 3.563 15.616 -5.586) 16.963 4.791 ( 5.185 4.863 -6.246) 9.463 4.881 ( 10.283 7.460 -1.890) 12.844 5.044 ( -3.869 10.319 -4.793) 12.018 5.137 ( 0.583 22.932 2.176) 23.043 5.202 ( 0.693 16.371 3.467) 16.748 5.265 ( -0.809 23.875 0.237) 23.890 5.362 ( 1.530 31.207 -1.841) 31.298 5.531 ( 0.405 19.542 2.413) 19.694 5.595 ( -7.341 2.057 -0.606) 7.648 6.471 ( 5.750 -5.045 2.674) 8.103 6.589 ( -0.078 -7.852 -1.552) 8.004 6.760 ( -2.338 -2.113 3.793) 4.932 6.814 ( -1.964 2.439 1.183) 3.347 7.005 ( 4.424 -5.891 0.556) 7.388 7.041 ( 2.358 -3.338 -2.171) 4.627 7.187 ( -0.788 -6.136 1.356) 6.333 7.315 ( 2.205 -12.822 -3.107) 13.376 8.075 ( 10.433 -3.133 4.059) 11.626 8.272 ( 0.983 -2.855 -0.783) 3.120 8.494 ( -2.005 -3.229 -0.272) 3.811 8.676 ( 5.918 -1.460 -0.326) 6.105 8.781 ( -2.338 2.056 -1.312) 3.379 8.992 ( 1.197 3.156 -5.625) 6.560 9.149 ( -4.159 8.301 3.385) 9.883 9.371 ( -6.585 5.196 -5.839) 10.220 10.077 ( -0.105 5.738 4.272) 7.155 10.115 ( 0.373 11.653 3.392) 12.142 10.183 ( 0.557 15.941 1.774) 16.049 10.247 ( 0.505 17.237 2.818) 17.473 10.500 ( 4.545 16.935 -2.302) 17.685 10.664 ( 6.154 11.240 -2.485) 13.053 10.691 ( -1.555 5.012 3.582) 6.354 10.787 ( -2.470 -1.971 1.798) 3.636 10.978 ( -0.303 3.827 -4.264) 5.738 11.052 ( 8.164 11.077 -6.659) 15.288 11.333 ( -2.617 4.529 7.335) 9.009 11.600 ( -2.989 7.469 -3.696) 8.853 11.814 ( 2.347 7.918 2.520) 8.634 11.890 ( -2.820 -3.977 -0.307) 4.885 12.364 ( -3.764 3.193 2.248) 5.424 12.519 ( -9.031 -3.221 -3.641) 10.257 12.885 ( 2.510 -3.229 -3.659) 5.488 13.018 ( 3.634 -2.891 -7.962) 9.217 13.260 ( -4.611 -5.597 9.298) 11.792 13.523 ( 2.683 -0.976 10.410) 10.795 13.663 ( -9.210 -6.362 -0.141) 11.195 13.993 ( -4.077 -10.127 -1.801) 11.064 14.073 ( -2.290 2.170 -2.867) 4.262 14.184 ( -5.957 -8.020 1.085) 10.049 14.214 ( 1.645 -7.592 -3.425) 8.489 14.291 ( 0.657 -4.949 -4.937) 7.021 14.522 ( 2.173 -6.513 3.524) 7.718 14.629 ( 2.896 -6.413 -1.360) 7.167 16.950 ( 4.576 2.235 1.121) 5.214 17.089 ( 1.135 2.247 -4.453) 5.115 17.354 ( 1.892 0.803 1.299) 2.432 17.457 ( 0.876 0.309 -2.751) 2.904 18.260 ( 0.317 -15.421 3.231) 15.759 18.361 ( -1.592 -18.967 3.118) 19.288 18.526 ( 0.405 -19.508 1.433) 19.565 18.665 ( -3.219 -22.451 -1.634) 22.740 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 13.165 13.653 3.179) 19.230 1.941 ( 6.646 11.755 1.187) 13.556 2.065 ( -1.104 14.926 4.405) 15.602 2.254 ( -18.264 8.682 1.160) 20.255 2.370 ( 5.016 14.557 -1.795) 15.501 2.495 ( -6.535 10.245 -3.527) 12.654 2.708 ( 6.882 5.962 -4.532) 10.171 2.816 ( -1.974 5.870 -10.627) 12.300 2.880 ( 6.905 1.715 4.587) 8.465 3.041 ( -6.887 1.080 1.820) 7.205 3.528 ( 4.724 11.052 1.556) 12.119 3.565 ( 1.070 11.678 -0.586) 11.741 3.589 ( -2.674 20.555 0.060) 20.729 3.640 ( 1.224 26.777 3.513) 27.034 3.716 ( -5.244 11.101 -2.496) 12.529 3.735 ( -1.204 24.640 -1.660) 24.725 3.986 ( 1.975 15.152 9.090) 17.779 4.065 ( -2.824 18.154 6.211) 19.393 4.123 ( -0.287 20.626 0.063) 20.628 4.178 ( -4.253 16.047 0.064) 16.601 4.449 ( 5.383 9.575 -2.187) 11.200 4.579 ( -4.566 8.760 -8.194) 12.835 4.733 ( 6.503 9.575 -2.437) 11.828 4.826 ( -1.823 4.707 -4.996) 7.102 4.983 ( 2.411 11.354 -0.382) 11.613 5.044 ( -0.209 19.722 -1.650) 19.792 5.144 ( -1.191 20.751 2.249) 20.906 5.189 ( -2.598 31.556 1.616) 31.704 5.258 ( 6.286 10.417 3.058) 12.545 5.418 ( -5.364 9.696 0.053) 11.081 5.458 ( 2.692 20.354 -1.639) 20.596 5.528 ( -1.987 20.481 -1.087) 20.606 6.585 ( 3.661 -6.639 1.415) 7.712 6.626 ( 3.250 -5.855 0.255) 6.701 6.694 ( -2.129 -3.403 3.697) 5.457 6.758 ( -3.813 0.105 1.229) 4.008 7.069 ( 1.688 -1.052 -1.894) 2.746 7.082 ( 0.677 -1.433 -2.492) 2.954 7.234 ( 4.749 -11.731 1.844) 12.789 7.318 ( -2.258 -13.914 -1.635) 14.190 8.269 ( 5.406 -0.464 2.894) 6.150 8.368 ( 0.907 -2.825 7.239) 7.823 8.421 ( 5.207 -1.443 -1.922) 5.735 8.654 ( -9.569 -1.894 -0.093) 9.755 8.872 ( 11.030 -0.219 -4.273) 11.831 9.030 ( 0.894 5.769 -5.651) 8.125 9.080 ( -2.052 8.479 0.642) 8.747 9.170 ( -10.592 3.162 -3.844) 11.703 10.112 ( 2.650 9.362 2.274) 9.992 10.148 ( 1.375 14.984 1.334) 15.106 10.170 ( -0.111 14.203 0.329) 14.207 10.227 ( -2.708 18.156 0.614) 18.367 10.565 ( 0.697 10.400 1.506) 10.532 10.603 ( -3.458 1.670 1.028) 3.975 10.775 ( 6.728 7.805 -0.174) 10.306 10.898 ( -1.738 7.514 -4.081) 8.726 10.996 ( 10.919 4.451 4.167) 12.506 11.224 ( -7.199 5.069 8.160) 12.004 11.281 ( 12.541 5.447 -5.477) 14.730 11.531 ( -6.261 2.141 -4.984) 8.284 11.760 ( -6.362 0.661 2.061) 6.720 11.783 ( -5.038 6.407 1.277) 8.250 12.331 ( 1.024 0.952 -0.312) 1.433 12.375 ( -3.405 -0.737 -2.345) 4.200 12.970 ( 5.517 -1.062 0.362) 5.630 13.089 ( -2.617 -0.024 3.441) 4.323 13.187 ( 4.457 -3.119 -5.839) 7.981 13.410 ( -12.856 -1.175 -6.569) 14.485 13.622 ( 5.004 -2.229 11.315) 12.572 13.772 ( -9.924 -4.205 7.668) 13.227 14.056 ( 1.601 -1.276 -4.510) 4.953 14.117 ( -3.712 -6.286 -4.532) 8.593 14.310 ( 4.392 -8.274 -1.677) 9.516 14.332 ( 1.704 -8.563 -2.303) 9.029 14.564 ( 2.296 -9.007 2.148) 9.540 14.624 ( -2.579 -8.931 -0.498) 9.309 17.051 ( 4.173 1.728 -0.557) 4.551 17.101 ( -0.571 1.702 -2.662) 3.211 17.406 ( 2.813 0.256 1.487) 3.192 17.454 ( -1.386 0.017 0.118) 1.391 18.277 ( 1.447 -16.487 2.241) 16.701 18.318 ( -2.275 -17.788 2.194) 18.066 18.545 ( 1.496 -19.203 -0.284) 19.263 18.593 ( -3.156 -20.471 -1.263) 20.751 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.000 15.150 3.909) 15.646 2.103 ( 0.000 13.682 -3.963) 14.244 2.416 ( 0.000 14.600 6.692) 16.060 2.517 ( 0.000 1.073 0.718) 1.291 2.557 ( 0.000 17.936 1.826) 18.029 2.565 ( 0.000 1.447 1.656) 2.199 2.898 ( 0.000 4.250 -4.273) 6.027 2.906 ( 0.000 9.957 -5.025) 11.153 3.064 ( 0.000 1.813 -9.785) 9.952 3.114 ( 0.000 5.305 -8.231) 9.792 3.569 ( 0.000 -3.049 5.903) 6.644 3.641 ( 0.000 2.347 -1.031) 2.564 3.882 ( 0.000 3.891 9.040) 9.841 4.140 ( 0.000 14.398 6.861) 15.949 4.208 ( 0.000 5.571 -5.424) 7.775 4.211 ( 0.000 -0.577 0.159) 0.599 4.303 ( 0.000 26.405 7.943) 27.574 4.326 ( 0.000 14.689 6.715) 16.151 4.482 ( 0.000 1.089 2.341) 2.582 4.560 ( 0.000 1.070 -0.345) 1.124 4.656 ( 0.000 14.120 -2.715) 14.378 4.733 ( 0.000 13.933 -1.456) 14.009 4.843 ( 0.000 23.808 -2.054) 23.897 4.987 ( 0.000 10.952 -12.068) 16.297 5.066 ( 0.000 24.183 -0.105) 24.183 5.200 ( 0.000 14.493 -3.882) 15.003 5.431 ( 0.000 9.791 1.193) 9.864 5.433 ( 0.000 2.003 0.759) 2.142 5.813 ( 0.000 30.024 2.862) 30.160 5.975 ( 0.000 28.546 -2.385) 28.645 6.031 ( 0.000 27.310 0.498) 27.315 6.037 ( 0.000 21.533 2.355) 21.661 6.322 ( 0.000 -0.209 0.035) 0.212 6.432 ( 0.000 -6.228 -2.090) 6.569 6.754 ( 0.000 -2.295 3.489) 4.176 6.869 ( 0.000 0.702 2.848) 2.933 6.906 ( 0.000 0.724 -0.581) 0.929 6.946 ( 0.000 -1.511 -1.225) 1.945 7.070 ( 0.000 -5.973 0.466) 5.991 7.133 ( 0.000 -3.712 -1.809) 4.130 7.981 ( 0.000 5.417 2.738) 6.070 8.212 ( 0.000 0.870 -7.047) 7.101 8.532 ( 0.000 4.528 5.086) 6.810 8.583 ( 0.000 0.721 6.439) 6.479 8.887 ( 0.000 4.260 -4.703) 6.345 8.966 ( 0.000 -0.390 -7.296) 7.307 9.274 ( 0.000 -0.260 5.617) 5.623 9.509 ( 0.000 -0.359 -4.573) 4.587 10.160 ( 0.000 1.133 6.041) 6.146 10.262 ( 0.000 3.594 2.520) 4.389 10.326 ( 0.000 5.641 10.636) 12.039 10.430 ( 0.000 1.780 0.144) 1.785 10.702 ( 0.000 4.375 -6.144) 7.543 10.745 ( 0.000 5.384 -4.718) 7.159 10.861 ( 0.000 6.017 -0.392) 6.030 10.865 ( 0.000 5.346 -0.253) 5.352 11.171 ( 0.000 13.804 -5.030) 14.692 11.172 ( 0.000 9.226 -12.913) 15.871 11.473 ( 0.000 7.476 7.785) 10.793 11.803 ( 0.000 6.826 -5.019) 8.472 11.954 ( 0.000 7.291 7.707) 10.609 11.961 ( 0.000 7.319 2.415) 7.707 12.494 ( 0.000 -5.732 2.032) 6.082 12.506 ( 0.000 4.831 2.783) 5.575 12.849 ( 0.000 -0.934 -1.495) 1.763 13.033 ( 0.000 7.306 -8.732) 11.386 13.131 ( 0.000 -8.444 6.840) 10.866 13.485 ( 0.000 -12.120 -3.944) 12.746 13.553 ( 0.000 -2.593 7.264) 7.713 13.698 ( 0.000 -8.067 5.148) 9.570 13.863 ( 0.000 -16.419 6.958) 17.832 14.130 ( 0.000 -7.813 -7.536) 10.855 14.169 ( 0.000 -6.804 -6.540) 9.437 14.201 ( 0.000 -6.817 -5.206) 8.577 14.525 ( 0.000 2.578 1.039) 2.779 14.547 ( 0.000 5.439 0.284) 5.446 16.905 ( 0.000 -0.786 1.513) 1.705 17.106 ( 0.000 0.680 -7.488) 7.519 17.355 ( 0.000 0.596 3.032) 3.090 17.448 ( 0.000 0.223 1.033) 1.057 17.952 ( 0.000 -14.622 2.457) 14.827 18.003 ( 0.000 -17.322 3.655) 17.704 18.119 ( 0.000 -19.405 -0.139) 19.405 18.260 ( 0.000 -19.693 -2.586) 19.862 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 6.141 14.345 1.991) 15.730 2.109 ( 1.086 13.328 -3.814) 13.906 2.389 ( -1.484 13.866 5.289) 14.914 2.559 ( -0.137 7.036 -0.698) 7.072 2.580 ( 3.451 0.848 1.516) 3.863 2.646 ( 5.630 9.529 1.926) 11.234 2.804 ( -5.994 10.149 -0.883) 11.820 2.895 ( -1.263 6.319 -4.686) 7.967 2.977 ( -2.035 7.258 -5.543) 9.356 3.175 ( 0.048 3.099 -10.655) 11.097 3.518 ( -4.426 -1.865 5.956) 7.651 3.630 ( 1.484 -1.535 -0.138) 2.139 3.893 ( -2.225 3.271 4.963) 6.347 4.020 ( -8.410 3.922 -0.927) 9.326 4.105 ( -5.030 10.501 6.152) 13.169 4.176 ( -4.435 5.687 -0.885) 7.266 4.351 ( 3.192 25.556 6.151) 26.478 4.386 ( 4.225 13.545 4.999) 15.043 4.464 ( 1.240 10.779 5.592) 12.206 4.617 ( 1.986 7.086 -0.525) 7.378 4.723 ( 1.005 8.323 -4.717) 9.619 4.730 ( 0.864 20.121 -3.581) 20.456 4.829 ( 1.236 14.709 -0.938) 14.791 4.948 ( -3.857 5.734 -7.634) 10.297 5.104 ( 3.660 17.747 -0.454) 18.126 5.223 ( 3.255 17.619 -4.989) 18.599 5.419 ( -2.402 8.106 1.303) 8.555 5.454 ( 1.679 7.734 1.145) 7.997 5.824 ( 1.007 30.131 2.391) 30.242 5.956 ( -2.434 23.589 -1.325) 23.752 6.020 ( 1.256 28.689 0.309) 28.718 6.070 ( 1.615 28.074 0.135) 28.121 6.374 ( 4.161 -3.536 -0.337) 5.470 6.461 ( 2.633 -2.981 -2.802) 4.865 6.726 ( -2.531 -0.893 4.839) 5.533 6.875 ( -1.518 2.982 1.246) 3.571 6.886 ( 0.617 -3.784 1.963) 4.307 6.985 ( 3.072 -3.800 -2.457) 5.469 7.068 ( -0.126 -6.037 0.367) 6.050 7.126 ( -0.936 -4.269 -1.612) 4.658 8.083 ( 9.175 4.399 2.796) 10.552 8.269 ( 4.907 2.941 -3.824) 6.882 8.492 ( -2.052 3.585 3.863) 5.656 8.679 ( 6.896 1.919 4.061) 8.230 8.822 ( -5.360 2.656 -3.172) 6.771 9.023 ( 3.952 0.567 -5.659) 6.926 9.235 ( -2.903 1.017 3.314) 4.521 9.409 ( -9.143 -0.841 -3.825) 9.947 10.156 ( 1.140 2.616 4.989) 5.748 10.284 ( 2.525 5.236 1.699) 6.056 10.382 ( 1.314 4.082 5.937) 7.324 10.446 ( 4.039 2.461 1.890) 5.094 10.665 ( -4.210 -4.168 -7.629) 9.659 10.791 ( 0.674 11.007 -0.416) 11.035 10.841 ( -3.505 6.067 0.018) 7.007 10.885 ( 8.247 9.675 2.392) 12.936 11.167 ( -0.828 11.129 -6.829) 13.083 11.246 ( 5.894 7.021 -11.071) 14.374 11.445 ( -2.762 6.031 5.948) 8.909 11.722 ( -6.757 4.984 -4.668) 9.606 11.915 ( -3.430 7.149 9.046) 12.029 11.976 ( 0.224 6.651 2.132) 6.987 12.432 ( -5.468 3.568 1.812) 6.776 12.445 ( -4.562 -3.629 -0.272) 5.836 12.878 ( 3.531 0.904 -0.222) 3.652 13.064 ( 2.894 5.460 -5.481) 8.260 13.121 ( -0.634 -6.345 4.401) 7.748 13.464 ( -1.719 -10.995 -5.818) 12.558 13.583 ( 2.037 2.407 10.362) 10.831 13.739 ( 0.195 -11.182 3.837) 11.824 13.874 ( 2.119 -15.611 5.220) 16.597 14.091 ( -6.762 -3.907 -4.059) 8.801 14.127 ( -0.619 -5.282 -8.202) 9.775 14.191 ( 0.472 -5.661 -5.507) 7.912 14.425 ( -3.777 -1.564 3.787) 5.572 14.576 ( -1.746 1.217 -2.222) 3.076 16.960 ( 4.640 -0.508 0.581) 4.704 17.116 ( 0.713 0.593 -6.572) 6.637 17.365 ( 1.126 0.012 3.325) 3.510 17.456 ( 0.418 -0.168 1.701) 1.759 17.950 ( -0.259 -14.713 2.457) 14.919 17.992 ( -0.872 -17.091 2.789) 17.339 18.133 ( 1.249 -18.757 -0.440) 18.804 18.237 ( -1.936 -19.184 -2.445) 19.436 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 7.553 12.024 0.026) 14.200 2.171 ( 4.396 10.892 -3.441) 12.239 2.339 ( -3.325 11.741 1.455) 12.289 2.406 ( -10.377 6.607 -0.984) 12.341 2.668 ( 4.127 11.465 0.470) 12.194 2.731 ( -1.071 10.668 -1.715) 10.858 2.818 ( 7.807 8.228 2.172) 11.548 2.923 ( 4.599 4.395 -3.094) 7.073 2.952 ( -2.134 6.785 -1.309) 7.232 3.065 ( -8.962 2.891 0.144) 9.418 3.512 ( 4.297 -3.988 -1.526) 6.058 3.636 ( -4.028 -3.635 -5.004) 7.382 3.797 ( -1.668 3.388 1.540) 4.078 3.865 ( -5.938 3.587 -2.070) 7.240 4.050 ( -0.439 9.300 8.590) 12.668 4.084 ( -3.663 5.770 6.840) 9.670 4.433 ( 4.133 26.914 3.086) 27.404 4.450 ( 2.447 17.836 2.587) 18.188 4.557 ( 5.179 18.174 3.407) 19.203 4.605 ( -1.952 12.819 -1.812) 13.093 4.648 ( -3.843 17.718 -1.025) 18.159 4.705 ( -5.057 7.065 -2.477) 9.035 4.887 ( 3.011 5.831 -1.205) 6.672 4.921 ( 0.414 4.952 -4.043) 6.407 5.201 ( 5.036 11.909 -0.568) 12.943 5.289 ( -1.320 11.434 -2.910) 11.872 5.373 ( 2.191 14.193 -0.473) 14.369 5.452 ( -2.486 11.372 -0.995) 11.683 5.854 ( 1.880 29.390 1.678) 29.497 5.901 ( -2.525 26.407 0.723) 26.537 6.060 ( 2.128 29.914 -2.119) 30.065 6.089 ( -0.243 29.190 -1.821) 29.248 6.459 ( 4.098 -5.221 0.419) 6.650 6.522 ( 0.439 -3.405 -1.638) 3.804 6.684 ( 1.170 2.623 4.844) 5.632 6.783 ( -5.781 2.427 1.045) 6.356 6.964 ( 4.894 -9.113 1.412) 10.440 7.037 ( 0.167 -10.622 -0.627) 10.642 7.062 ( 0.029 -1.909 -1.186) 2.248 7.090 ( -1.950 -2.849 -1.297) 3.688 8.306 ( 9.435 4.214 3.045) 10.773 8.387 ( 4.459 5.415 4.978) 8.602 8.455 ( 0.988 4.809 -0.618) 4.948 8.651 ( -10.856 2.203 -0.623) 11.094 8.861 ( 10.657 0.030 -1.040) 10.707 9.074 ( -3.956 -0.038 -6.910) 7.962 9.171 ( -2.461 1.468 0.910) 3.006 9.212 ( -4.866 1.137 -0.265) 5.004 10.227 ( 5.080 2.936 3.355) 6.759 10.332 ( -3.508 2.965 2.061) 5.035 10.385 ( 5.444 7.550 -1.957) 9.512 10.511 ( -3.136 8.264 -2.234) 9.117 10.601 ( 1.803 -1.987 1.393) 3.023 10.719 ( -7.017 3.875 3.303) 8.669 10.886 ( 9.878 6.120 -0.808) 11.648 11.086 ( -4.440 8.042 -2.708) 9.577 11.117 ( 8.535 6.493 0.599) 10.741 11.329 ( -8.787 4.728 4.267) 10.853 11.399 ( 8.312 5.275 -8.772) 13.186 11.569 ( -7.465 3.503 -5.461) 9.891 11.856 ( -0.444 8.007 7.184) 10.767 11.920 ( -5.020 6.706 3.389) 9.036 12.354 ( -1.284 1.228 -0.198) 1.788 12.364 ( -2.207 -0.441 -1.427) 2.665 12.983 ( 5.517 1.839 1.886) 6.113 13.071 ( -2.631 -2.222 5.501) 6.490 13.193 ( 7.869 2.620 -7.091) 10.912 13.378 ( -7.629 -4.039 -7.136) 11.200 13.612 ( 1.314 0.576 9.102) 9.215 13.670 ( -4.473 -6.416 6.185) 9.971 13.917 ( 1.596 -10.885 1.028) 11.050 13.969 ( -3.687 -4.447 0.804) 5.832 14.166 ( 3.484 -6.611 -7.458) 10.558 14.207 ( 0.124 -5.156 -5.966) 7.887 14.398 ( 1.528 -6.527 2.644) 7.206 14.487 ( -5.684 -3.658 -1.313) 6.886 17.061 ( 4.265 -0.087 -1.705) 4.593 17.117 ( -1.039 0.258 -4.341) 4.471 17.403 ( 2.359 -0.725 3.750) 4.489 17.448 ( -1.431 -0.701 3.178) 3.555 17.949 ( 0.455 -15.447 1.591) 15.536 17.970 ( -1.267 -16.223 1.500) 16.341 18.162 ( 1.428 -17.927 -0.956) 18.010 18.195 ( -1.801 -18.182 -1.765) 18.356 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.000 12.609 1.674) 12.719 2.344 ( 0.000 9.667 -5.185) 10.970 2.532 ( 0.000 1.000 2.416) 2.614 2.609 ( 0.000 3.682 0.333) 3.697 2.664 ( 0.000 9.412 5.818) 11.065 2.862 ( 0.000 9.711 -2.878) 10.129 2.969 ( 0.000 4.556 -2.748) 5.321 3.105 ( 0.000 6.957 -6.705) 9.662 3.151 ( 0.000 8.600 -3.882) 9.436 3.236 ( 0.000 6.243 1.104) 6.340 3.487 ( 0.000 -4.142 6.779) 7.944 3.658 ( 0.000 0.761 -7.371) 7.410 3.871 ( 0.000 -3.373 10.888) 11.399 4.130 ( 0.000 -4.715 -0.801) 4.782 4.174 ( 0.000 -5.465 -6.918) 8.816 4.282 ( 0.000 -0.569 7.910) 7.930 4.406 ( 0.000 -2.784 -2.710) 3.886 4.438 ( 0.000 -2.898 0.292) 2.913 4.496 ( 0.000 -0.884 4.796) 4.877 4.734 ( 0.000 -2.499 -2.824) 3.770 4.963 ( 0.000 23.215 5.035) 23.754 5.110 ( 0.000 19.378 1.615) 19.445 5.246 ( 0.000 15.691 -4.254) 16.257 5.274 ( 0.000 17.852 -2.794) 18.070 5.516 ( 0.000 17.468 -0.728) 17.483 5.547 ( 0.000 14.652 -1.830) 14.766 5.582 ( 0.000 12.695 -0.087) 12.695 5.594 ( 0.000 7.018 -0.270) 7.024 6.129 ( 0.000 -0.792 3.064) 3.165 6.297 ( 0.000 -1.576 -4.770) 5.023 6.350 ( 0.000 18.717 3.434) 19.030 6.437 ( 0.000 14.605 3.384) 14.992 6.519 ( 0.000 14.679 -1.080) 14.719 6.590 ( 0.000 17.086 -0.871) 17.108 6.792 ( 0.000 8.675 0.500) 8.689 6.854 ( 0.000 -2.225 -3.978) 4.558 6.926 ( 0.000 -0.590 1.625) 1.728 6.956 ( 0.000 5.171 1.545) 5.396 7.079 ( 0.000 0.799 -1.052) 1.321 7.094 ( 0.000 6.574 0.574) 6.599 8.165 ( 0.000 11.901 1.391) 11.982 8.310 ( 0.000 8.214 -5.753) 10.029 8.654 ( 0.000 5.614 8.173) 9.915 8.664 ( 0.000 7.859 5.133) 9.387 8.978 ( 0.000 4.646 -5.397) 7.121 8.979 ( 0.000 1.817 -6.010) 6.279 9.232 ( 0.000 -2.865 5.299) 6.024 9.450 ( 0.000 -4.527 -4.129) 6.127 10.210 ( 0.000 4.031 7.393) 8.421 10.300 ( 0.000 -0.749 3.039) 3.130 10.343 ( 0.000 -3.847 4.040) 5.578 10.410 ( 0.000 -0.435 3.467) 3.494 10.661 ( 0.000 -0.217 -10.154) 10.156 10.825 ( 0.000 -4.875 -5.537) 7.377 10.991 ( 0.000 6.000 0.044) 6.001 11.035 ( 0.000 14.648 0.064) 14.649 11.293 ( 0.000 2.516 -9.307) 9.641 11.452 ( 0.000 12.977 -7.088) 14.787 11.590 ( 0.000 2.670 6.537) 7.061 11.898 ( 0.000 1.643 -5.212) 5.465 12.054 ( 0.000 2.713 4.174) 4.978 12.148 ( 0.000 9.787 10.253) 14.174 12.387 ( 0.000 -5.391 3.913) 6.662 12.610 ( 0.000 5.244 0.407) 5.260 12.719 ( 0.000 -10.637 5.288) 11.879 13.063 ( 0.000 -20.456 -4.165) 20.875 13.118 ( 0.000 6.954 0.920) 7.014 13.221 ( 0.000 6.525 -5.886) 8.787 13.477 ( 0.000 -16.048 6.979) 17.500 13.559 ( 0.000 -6.063 1.560) 6.260 13.714 ( 0.000 7.262 3.576) 8.094 13.862 ( 0.000 -14.997 -3.630) 15.430 14.037 ( 0.000 -6.005 -4.550) 7.534 14.142 ( 0.000 -0.991 -4.914) 5.013 14.592 ( 0.000 3.688 1.035) 3.830 14.662 ( 0.000 4.854 -1.949) 5.231 16.893 ( 0.000 0.108 1.508) 1.512 17.107 ( 0.000 -0.452 -8.545) 8.557 17.343 ( 0.000 -1.924 3.590) 4.073 17.458 ( 0.000 0.607 2.553) 2.624 17.680 ( 0.000 -12.146 2.033) 12.315 17.688 ( 0.000 -13.778 4.933) 14.635 17.763 ( 0.000 -14.706 -1.307) 14.764 17.934 ( 0.000 -12.007 -3.458) 12.495 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 4.688 11.876 -0.003) 12.768 2.345 ( 0.424 9.658 -4.776) 10.783 2.565 ( 1.819 1.567 1.321) 2.740 2.615 ( -1.203 4.111 0.104) 4.285 2.647 ( -0.114 6.427 6.719) 9.299 2.856 ( 0.328 6.445 -3.620) 7.399 2.975 ( 1.347 7.293 -2.043) 7.693 3.077 ( -1.678 9.979 -3.435) 10.687 3.148 ( -0.584 9.502 -1.718) 9.673 3.261 ( 1.798 4.701 -2.918) 5.818 3.472 ( -5.600 -1.411 4.027) 7.040 3.563 ( -1.628 -3.187 -2.097) 4.148 3.903 ( -1.262 -1.413 5.714) 6.020 4.024 ( -7.053 -1.120 -1.395) 7.277 4.106 ( -4.446 -5.596 -0.864) 7.199 4.209 ( -4.927 -1.860 8.726) 10.192 4.454 ( 3.935 -3.690 -2.714) 6.039 4.497 ( 3.916 -2.730 1.541) 5.016 4.607 ( 7.805 -1.388 1.510) 8.070 4.786 ( 3.725 -0.834 -5.067) 6.344 4.987 ( 2.377 19.940 4.251) 20.526 5.087 ( -1.935 20.095 0.568) 20.196 5.166 ( -5.493 15.735 -1.546) 16.737 5.251 ( -2.963 19.776 -2.209) 20.118 5.482 ( -1.169 16.507 -0.608) 16.560 5.541 ( 0.560 12.593 -2.905) 12.935 5.619 ( 1.957 9.350 0.515) 9.566 5.672 ( 4.341 12.757 -0.212) 13.477 6.168 ( 3.622 1.565 1.713) 4.301 6.278 ( -0.001 4.313 -3.219) 5.382 6.359 ( -0.139 12.254 2.598) 12.527 6.493 ( 4.620 14.929 2.671) 15.854 6.527 ( 0.795 12.157 -0.771) 12.207 6.616 ( 1.378 16.598 -2.290) 16.812 6.779 ( -0.894 7.989 0.926) 8.092 6.830 ( -2.350 -1.204 -3.541) 4.417 6.915 ( -0.842 0.240 4.344) 4.432 6.951 ( -0.590 3.546 1.449) 3.876 7.074 ( -0.315 1.419 -1.376) 2.001 7.083 ( -0.790 5.876 -0.666) 5.967 8.248 ( 7.549 11.105 1.499) 13.511 8.388 ( 6.992 8.279 -5.048) 11.955 8.634 ( -0.811 9.578 5.459) 11.054 8.731 ( 4.124 2.630 7.158) 8.670 8.919 ( -3.540 7.181 -5.101) 9.493 9.032 ( 3.085 0.567 -5.001) 5.904 9.218 ( -1.101 -1.791 3.563) 4.137 9.372 ( -7.124 -2.155 -2.986) 8.020 10.210 ( 0.720 3.258 6.199) 7.040 10.319 ( 1.721 -2.001 2.276) 3.485 10.400 ( 0.470 -1.941 -0.698) 2.116 10.418 ( 5.592 -2.908 7.128) 9.515 10.616 ( -3.593 0.444 -9.488) 10.155 10.838 ( -0.558 -3.418 0.217) 3.470 11.000 ( 0.696 7.212 -3.839) 8.200 11.115 ( 6.759 11.893 -1.528) 13.764 11.256 ( -3.103 0.806 -5.683) 6.525 11.427 ( -2.448 7.295 -3.790) 8.577 11.550 ( -2.174 5.224 2.295) 6.106 11.805 ( -7.542 3.052 -4.943) 9.520 12.075 ( 1.073 3.469 3.857) 5.298 12.105 ( -3.871 9.227 11.174) 14.999 12.368 ( -1.664 -4.147 0.162) 4.471 12.504 ( -8.363 3.184 0.043) 8.948 12.802 ( 7.229 -8.768 5.428) 12.594 13.002 ( -1.872 -9.481 1.194) 9.737 13.182 ( 2.349 -6.128 -4.086) 7.731 13.228 ( 0.119 4.081 -5.160) 6.580 13.497 ( 1.774 -12.487 6.967) 14.409 13.635 ( 5.609 -5.377 1.332) 7.884 13.711 ( -0.328 6.525 4.186) 7.759 13.902 ( 4.202 -10.850 -4.080) 12.330 14.049 ( -0.067 -3.653 -5.220) 6.371 14.110 ( -1.824 -2.098 -3.944) 4.825 14.446 ( -10.066 2.669 3.287) 10.920 14.627 ( -5.383 2.683 -3.710) 7.067 16.955 ( 5.155 0.399 0.370) 5.183 17.119 ( 0.836 -0.194 -7.513) 7.562 17.342 ( 0.251 -2.457 3.917) 4.631 17.451 ( -0.769 -0.667 2.737) 2.920 17.679 ( -0.347 -13.783 3.108) 14.133 17.687 ( -0.125 -10.520 3.477) 11.081 17.790 ( 2.367 -14.692 -1.521) 14.958 17.918 ( -1.352 -11.772 -3.344) 12.312 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 4.574 9.947 -2.342) 11.196 2.374 ( 2.289 9.047 -4.306) 10.277 2.521 ( -3.655 5.104 -0.275) 6.284 2.543 ( -4.432 8.141 -0.291) 9.274 2.736 ( 6.922 -0.248 5.336) 8.744 2.855 ( -2.821 0.868 0.940) 3.098 3.044 ( 4.107 6.951 -1.429) 8.199 3.082 ( 3.625 12.577 -3.623) 13.581 3.115 ( -2.199 9.754 1.072) 10.056 3.227 ( -6.712 12.466 -2.063) 14.308 3.408 ( 3.697 -5.850 -1.946) 7.188 3.527 ( -4.922 -5.374 -3.433) 8.055 3.843 ( -0.626 1.822 2.667) 3.290 3.900 ( -4.792 1.419 -0.431) 5.016 4.060 ( 0.091 -4.271 7.977) 9.049 4.108 ( -4.147 -2.704 8.477) 9.817 4.536 ( 3.099 -4.920 -0.624) 5.849 4.556 ( 1.323 -4.858 1.164) 5.168 4.765 ( 6.220 -0.535 -4.198) 7.523 4.831 ( -0.093 1.961 -6.293) 6.592 5.023 ( -0.156 18.646 3.060) 18.896 5.046 ( -2.174 17.706 1.306) 17.887 5.099 ( 1.355 18.479 -0.320) 18.531 5.168 ( -4.252 20.221 -1.298) 20.704 5.490 ( 1.697 14.140 -0.119) 14.242 5.532 ( -1.752 11.958 -0.338) 12.090 5.671 ( 3.090 12.002 -1.032) 12.436 5.717 ( -0.423 12.419 -1.026) 12.468 6.244 ( 3.214 7.861 0.092) 8.493 6.298 ( -1.053 13.630 -0.419) 13.677 6.387 ( 5.441 -1.493 -0.397) 5.656 6.512 ( -3.862 4.487 -2.768) 6.535 6.588 ( 3.072 17.602 1.431) 17.925 6.616 ( -0.319 20.457 0.722) 20.472 6.771 ( -0.185 5.231 -1.067) 5.342 6.784 ( -1.186 -2.900 -0.365) 3.154 6.898 ( 0.008 2.290 4.872) 5.383 6.926 ( -1.865 4.060 3.641) 5.764 7.069 ( 0.160 2.048 -1.992) 2.861 7.076 ( -0.225 4.466 -2.124) 4.950 8.444 ( 9.911 8.784 2.044) 13.400 8.557 ( 7.333 9.780 -0.978) 12.263 8.598 ( -2.711 8.160 2.254) 8.890 8.724 ( -6.497 4.647 1.812) 8.191 8.922 ( 6.127 6.709 -1.400) 9.193 9.070 ( -3.058 0.347 -5.445) 6.254 9.183 ( -1.537 0.656 1.884) 2.518 9.220 ( -4.080 0.366 0.867) 4.187 10.259 ( 3.735 0.980 3.597) 5.277 10.332 ( -2.002 -1.986 1.488) 3.188 10.444 ( 4.407 -1.456 -2.500) 5.272 10.515 ( -0.374 -4.949 -1.744) 5.261 10.594 ( 4.779 0.325 1.361) 4.980 10.747 ( -7.657 -0.447 4.928) 9.116 11.026 ( 3.210 5.848 -5.930) 8.926 11.141 ( -6.010 -0.917 -7.933) 9.995 11.281 ( 6.153 8.372 4.206) 11.209 11.405 ( -3.875 2.760 2.766) 5.503 11.521 ( 4.378 7.450 -4.754) 9.862 11.667 ( -5.859 5.794 -6.977) 10.797 12.021 ( -2.560 7.162 8.884) 11.695 12.045 ( -3.588 5.656 5.967) 8.971 12.343 ( -0.346 -2.073 -2.118) 2.984 12.366 ( -3.331 -0.501 -1.409) 3.652 12.962 ( 6.390 -5.939 4.356) 9.751 13.010 ( 1.486 -5.402 3.101) 6.404 13.177 ( -1.114 -8.458 -3.081) 9.071 13.210 ( -2.521 -8.671 -3.371) 9.639 13.553 ( 3.854 -2.479 4.385) 6.343 13.643 ( -3.896 2.972 2.163) 5.357 13.796 ( 7.220 -0.263 2.587) 7.674 13.952 ( -7.172 1.609 -0.300) 7.356 14.028 ( 6.428 -5.788 -3.916) 9.495 14.127 ( -0.829 -2.508 -5.858) 6.426 14.303 ( 0.467 -3.249 2.170) 3.935 14.454 ( -9.961 -0.626 -3.816) 10.685 17.065 ( 4.445 0.589 -2.424) 5.097 17.122 ( -1.050 0.229 -5.222) 5.331 17.368 ( 2.268 -2.918 4.507) 5.829 17.420 ( -2.228 -2.288 4.029) 5.141 17.669 ( 0.026 -11.961 2.326) 12.185 17.681 ( -0.692 -11.472 2.364) 11.733 17.844 ( 2.410 -13.117 -1.808) 13.459 17.885 ( -1.695 -11.868 -2.661) 12.280 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.000 8.943 -0.720) 8.972 2.473 ( 0.000 3.391 -2.575) 4.257 2.569 ( 0.000 3.431 3.765) 5.094 2.733 ( 0.000 7.837 -2.063) 8.104 2.805 ( 0.000 5.246 0.807) 5.308 2.921 ( 0.000 -0.173 -6.274) 6.276 3.102 ( 0.000 4.184 -0.117) 4.185 3.136 ( 0.000 -4.755 -2.741) 5.488 3.339 ( 0.000 4.590 7.812) 9.061 3.360 ( 0.000 10.660 0.143) 10.661 3.485 ( 0.000 5.556 3.138) 6.381 3.715 ( 0.000 4.954 -11.216) 12.261 3.778 ( 0.000 -5.156 10.816) 11.982 4.023 ( 0.000 -8.779 -2.680) 9.179 4.043 ( 0.000 -3.837 -2.447) 4.551 4.166 ( 0.000 -9.458 -0.234) 9.461 4.355 ( 0.000 -1.580 -0.676) 1.719 4.380 ( 0.000 -2.512 -0.710) 2.610 4.446 ( 0.000 -3.241 4.224) 5.325 4.596 ( 0.000 -8.346 -0.630) 8.370 5.357 ( 0.000 14.323 2.750) 14.585 5.419 ( 0.000 10.545 1.845) 10.705 5.542 ( 0.000 11.656 -3.853) 12.276 5.544 ( 0.000 9.148 -1.376) 9.251 5.683 ( 0.000 3.944 3.154) 5.050 5.748 ( 0.000 6.751 -1.487) 6.912 5.787 ( 0.000 7.849 0.991) 7.911 5.817 ( 0.000 7.316 0.104) 7.317 6.155 ( 0.000 4.763 1.076) 4.883 6.282 ( 0.000 0.794 -5.521) 5.578 6.610 ( 0.000 5.265 3.672) 6.419 6.619 ( 0.000 8.114 0.695) 8.144 6.753 ( 0.000 8.676 1.089) 8.744 6.759 ( 0.000 0.931 3.423) 3.547 6.860 ( 0.000 3.112 0.776) 3.208 6.935 ( 0.000 -3.306 -0.777) 3.397 7.029 ( 0.000 10.656 -0.982) 10.702 7.039 ( 0.000 9.425 -1.171) 9.497 7.252 ( 0.000 10.872 -1.847) 11.028 7.256 ( 0.000 8.511 -2.195) 8.789 8.417 ( 0.000 11.917 0.897) 11.951 8.508 ( 0.000 10.298 -3.993) 11.045 8.763 ( 0.000 3.851 6.254) 7.345 8.806 ( 0.000 4.867 3.123) 5.783 9.030 ( 0.000 2.798 -3.659) 4.606 9.067 ( 0.000 3.956 -4.288) 5.834 9.211 ( 0.000 2.025 3.134) 3.732 9.364 ( 0.000 -3.125 -3.216) 4.485 10.209 ( 0.000 -5.183 0.369) 5.197 10.246 ( 0.000 -3.465 1.158) 3.654 10.303 ( 0.000 0.430 4.779) 4.799 10.479 ( 0.000 8.895 8.952) 12.620 10.543 ( 0.000 -10.549 -1.494) 10.654 10.896 ( 0.000 9.814 -13.065) 16.340 11.099 ( 0.000 5.113 1.776) 5.413 11.263 ( 0.000 1.590 -3.824) 4.141 11.343 ( 0.000 9.820 2.753) 10.199 11.557 ( 0.000 -5.661 5.868) 8.153 11.678 ( 0.000 9.091 -10.295) 13.735 11.852 ( 0.000 -5.938 -6.451) 8.768 12.087 ( 0.000 -0.051 5.052) 5.052 12.258 ( 0.000 -7.213 2.371) 7.593 12.307 ( 0.000 5.633 9.940) 11.426 12.547 ( 0.000 -4.578 2.184) 5.072 12.640 ( 0.000 -17.584 -0.996) 17.612 12.727 ( 0.000 5.211 -2.374) 5.727 13.075 ( 0.000 -16.592 8.600) 18.688 13.314 ( 0.000 10.788 1.228) 10.858 13.389 ( 0.000 -12.439 -3.947) 13.050 13.418 ( 0.000 5.969 -2.378) 6.425 13.628 ( 0.000 -6.066 0.446) 6.082 13.811 ( 0.000 -1.803 -7.086) 7.312 13.982 ( 0.000 3.232 2.553) 4.118 14.140 ( 0.000 0.384 -3.145) 3.168 14.661 ( 0.000 2.872 0.806) 2.983 14.727 ( 0.000 1.504 -1.829) 2.368 16.918 ( 0.000 2.245 1.050) 2.478 17.088 ( 0.000 -1.486 -6.349) 6.521 17.287 ( 0.000 -3.043 2.805) 4.139 17.434 ( 0.000 -6.883 0.668) 6.916 17.439 ( 0.000 -7.593 -1.011) 7.660 17.470 ( 0.000 -8.230 0.745) 8.264 17.589 ( 0.000 -1.621 5.202) 5.448 17.768 ( 0.000 -5.274 -2.160) 5.700 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 3.643 8.086 -1.444) 8.985 2.487 ( 1.673 5.134 -2.380) 5.901 2.582 ( 0.856 1.679 2.800) 3.375 2.720 ( -0.995 6.637 -0.744) 6.753 2.775 ( -2.857 5.248 1.194) 6.093 2.910 ( -1.322 0.333 -5.182) 5.358 3.071 ( -0.832 0.072 -0.432) 0.940 3.171 ( 1.863 -3.459 -4.932) 6.306 3.317 ( -1.332 5.247 7.097) 8.926 3.359 ( -0.269 9.685 1.096) 9.751 3.512 ( 0.764 5.690 1.843) 6.030 3.601 ( -4.643 6.275 -3.822) 8.691 3.853 ( 1.261 -3.059 4.878) 5.894 3.972 ( -2.760 -7.046 -0.318) 7.574 4.007 ( -2.867 -0.643 -1.899) 3.499 4.108 ( -4.144 -7.294 3.319) 9.022 4.362 ( 1.964 -3.403 -1.954) 4.388 4.421 ( 2.172 -3.808 -0.632) 4.430 4.542 ( 6.699 -4.516 1.477) 8.213 4.653 ( 4.600 -8.847 -2.454) 10.269 5.352 ( -0.162 13.518 2.090) 13.680 5.409 ( -0.710 10.973 1.355) 11.080 5.461 ( -4.356 11.899 -1.918) 12.816 5.559 ( -1.049 10.359 -2.707) 10.759 5.701 ( 0.681 6.466 0.313) 6.509 5.759 ( 0.105 5.936 -0.229) 5.941 5.778 ( 0.907 8.608 2.097) 8.906 5.860 ( 2.680 5.124 0.196) 5.786 6.203 ( 4.907 3.303 1.521) 6.108 6.294 ( 1.675 1.224 -4.456) 4.915 6.570 ( -3.491 5.881 1.161) 6.937 6.634 ( -0.257 4.128 -0.558) 4.173 6.741 ( -0.253 7.223 2.535) 7.659 6.795 ( 1.040 2.609 2.782) 3.953 6.818 ( -0.768 2.452 1.625) 3.040 6.931 ( -0.938 -1.463 2.458) 3.010 7.041 ( 0.385 10.377 -0.288) 10.388 7.066 ( 2.289 11.340 -3.579) 12.110 7.218 ( -1.872 9.532 -0.583) 9.732 7.262 ( -0.340 9.312 -3.077) 9.813 8.482 ( 5.638 10.793 0.652) 12.195 8.568 ( 5.409 8.549 -3.799) 10.806 8.769 ( -0.818 1.941 3.963) 4.488 8.830 ( 2.601 6.288 3.839) 7.813 9.037 ( 0.133 1.962 -2.914) 3.515 9.089 ( 2.495 7.279 -3.502) 8.454 9.216 ( 0.702 2.613 2.894) 3.962 9.344 ( -2.127 -0.108 -2.651) 3.401 10.239 ( 2.291 -3.748 0.202) 4.397 10.250 ( 0.655 -3.462 1.837) 3.974 10.338 ( 2.875 -0.514 5.717) 6.420 10.410 ( -3.502 1.512 4.705) 6.057 10.591 ( 1.484 -4.113 -0.278) 4.382 10.826 ( -4.266 4.964 -6.723) 9.383 11.066 ( -4.548 -2.262 -4.271) 6.636 11.260 ( -1.734 5.318 -2.854) 6.280 11.376 ( 1.278 7.159 2.445) 7.672 11.449 ( -2.653 -0.017 3.706) 4.558 11.701 ( 0.023 7.674 -6.413) 10.001 11.838 ( -1.553 0.002 -6.988) 7.159 12.118 ( 2.684 0.461 3.574) 4.494 12.246 ( -3.814 0.529 11.242) 11.884 12.270 ( -1.068 -1.399 -1.736) 2.472 12.528 ( -11.102 -4.484 1.111) 12.025 12.619 ( 6.617 -7.885 2.399) 10.570 12.724 ( 2.570 -7.246 -1.397) 7.814 13.008 ( -4.427 -13.884 5.192) 15.470 13.230 ( -8.870 -8.390 -2.176) 12.401 13.421 ( 7.830 6.103 3.251) 10.446 13.594 ( 10.269 2.046 -1.824) 10.628 13.745 ( 9.052 -3.965 -1.362) 9.975 13.838 ( 1.405 2.684 -4.411) 5.351 13.982 ( 1.401 -0.900 0.172) 1.674 14.097 ( -3.893 0.097 -2.512) 4.634 14.510 ( -11.895 3.322 2.260) 12.556 14.658 ( -7.551 0.137 -3.426) 8.293 16.980 ( 5.156 1.998 -0.088) 5.530 17.107 ( 1.405 -1.084 -5.609) 5.883 17.276 ( -0.533 -3.474 3.051) 4.654 17.388 ( -2.572 -6.244 -0.481) 6.770 17.449 ( 1.313 -7.712 1.864) 8.042 17.545 ( 4.596 -8.093 -0.637) 9.329 17.578 ( -1.138 -1.524 4.922) 5.277 17.754 ( -1.320 -5.292 -2.084) 5.838 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 2.525 6.009 -2.213) 6.884 2.555 ( 1.728 8.768 -2.715) 9.340 2.599 ( 1.913 2.795 0.638) 3.447 2.685 ( -4.712 5.729 -1.929) 7.664 2.732 ( 2.917 0.652 3.825) 4.854 2.838 ( -5.489 -1.269 0.854) 5.698 3.112 ( 4.137 -2.349 -3.499) 5.906 3.182 ( -1.533 -5.353 -4.815) 7.361 3.313 ( 1.303 7.288 3.066) 8.014 3.346 ( -1.100 6.166 1.128) 6.364 3.494 ( -0.289 11.017 -1.768) 11.162 3.537 ( -3.265 7.887 -2.384) 8.863 3.858 ( 1.714 -1.370 5.205) 5.649 3.923 ( -3.314 -2.071 4.309) 5.817 3.977 ( 0.756 -0.291 1.780) 1.956 4.023 ( -3.475 -4.117 4.174) 6.816 4.415 ( 2.481 -5.244 -0.830) 5.861 4.445 ( -0.150 -5.233 0.074) 5.236 4.675 ( 5.233 -6.846 -3.474) 9.291 4.724 ( 0.951 -8.658 -4.420) 9.767 5.353 ( 0.312 12.575 1.296) 12.645 5.383 ( -2.763 13.040 -0.352) 13.334 5.421 ( 2.441 11.726 -1.210) 12.038 5.499 ( -4.208 11.482 -2.835) 12.553 5.716 ( 0.830 8.321 0.441) 8.374 5.735 ( -1.110 8.063 0.405) 8.149 5.838 ( 3.280 4.869 2.410) 6.346 5.886 ( -0.717 4.261 0.824) 4.399 6.344 ( 7.080 3.470 -0.167) 7.886 6.372 ( 6.554 0.549 -1.816) 6.823 6.471 ( -5.643 4.978 -0.653) 7.553 6.543 ( -7.764 -0.083 -1.482) 7.905 6.765 ( 2.322 5.642 2.414) 6.562 6.797 ( -0.035 3.960 0.804) 4.041 6.852 ( 1.874 2.425 4.225) 5.220 6.896 ( -2.144 0.508 4.519) 5.027 7.056 ( 1.082 12.362 -0.193) 12.411 7.082 ( -0.954 12.927 -1.718) 13.076 7.208 ( 1.218 8.237 -1.949) 8.552 7.242 ( -1.495 8.802 -3.363) 9.541 8.613 ( 5.999 6.973 0.730) 9.227 8.690 ( 2.243 3.458 -0.776) 4.194 8.743 ( 1.455 5.099 -0.127) 5.304 8.837 ( -3.180 3.505 -0.495) 4.758 9.080 ( 4.263 7.717 -0.211) 8.818 9.135 ( 0.670 7.347 -1.674) 7.565 9.237 ( 0.893 5.429 1.971) 5.844 9.276 ( -3.598 5.391 0.283) 6.487 10.269 ( 1.604 -3.763 1.655) 4.413 10.288 ( 0.718 1.569 1.951) 2.605 10.360 ( 1.742 -6.392 1.006) 6.701 10.411 ( -0.462 -4.306 2.337) 4.921 10.592 ( 2.237 0.257 0.458) 2.297 10.721 ( -7.422 -0.679 4.555) 8.735 11.014 ( 1.972 -7.032 -8.787) 11.425 11.121 ( -7.642 -2.510 -4.748) 9.340 11.428 ( 4.185 6.826 3.207) 8.625 11.493 ( 0.142 7.528 -0.126) 7.531 11.695 ( 2.717 8.879 -3.367) 9.877 11.799 ( -3.608 6.587 -7.446) 10.575 12.137 ( -2.052 4.388 5.824) 7.575 12.151 ( -2.613 4.233 6.280) 8.012 12.268 ( 0.926 -5.258 -2.467) 5.882 12.326 ( -5.700 -2.811 -0.474) 6.373 12.770 ( 6.435 -11.092 2.357) 13.038 12.826 ( 6.351 -9.386 3.307) 11.806 12.913 ( -3.704 -14.306 1.409) 14.845 13.037 ( -9.450 -10.775 -0.632) 14.346 13.598 ( 8.740 5.627 3.153) 10.863 13.745 ( -2.123 6.008 -1.313) 6.506 13.838 ( 4.839 2.636 1.818) 5.803 13.949 ( 7.579 -1.384 -1.783) 7.908 13.987 ( -3.584 0.491 -0.483) 3.650 14.106 ( 5.171 -0.217 -5.690) 7.692 14.262 ( -6.713 -0.420 2.367) 7.130 14.435 ( -12.740 -1.691 -4.513) 13.621 17.084 ( 3.766 1.139 -2.662) 4.751 17.124 ( -0.258 -0.056 -4.340) 4.348 17.286 ( 1.660 -4.991 3.099) 6.105 17.335 ( -2.631 -6.143 1.260) 6.801 17.488 ( 2.376 -5.018 2.832) 6.233 17.541 ( -2.375 -2.413 3.955) 5.206 17.639 ( 4.177 -7.337 -1.366) 8.553 17.712 ( -2.757 -5.949 -1.852) 6.813 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 0.000 1.009 -0.850) 1.319 2.515 ( 0.000 1.127 -0.966) 1.484 2.714 ( 0.000 9.623 1.659) 9.764 2.835 ( 0.000 0.697 -4.542) 4.595 2.910 ( 0.000 -0.450 -3.748) 3.775 2.934 ( 0.000 6.490 -1.606) 6.686 2.978 ( 0.000 -7.096 1.788) 7.318 3.080 ( 0.000 -5.171 -1.179) 5.304 3.461 ( 0.000 6.886 7.914) 10.490 3.550 ( 0.000 3.089 4.350) 5.336 3.624 ( 0.000 7.440 1.432) 7.577 3.723 ( 0.000 3.572 4.711) 5.912 3.806 ( 0.000 1.236 -5.666) 5.799 3.829 ( 0.000 -10.117 -0.302) 10.122 3.973 ( 0.000 -3.105 -4.649) 5.590 3.976 ( 0.000 -6.713 -2.873) 7.302 4.334 ( 0.000 -0.428 -1.207) 1.281 4.342 ( 0.000 -1.188 -1.344) 1.794 4.401 ( 0.000 -0.311 2.158) 2.180 4.451 ( 0.000 -5.231 0.392) 5.245 5.533 ( 0.000 3.717 -0.045) 3.717 5.543 ( 0.000 2.370 -0.312) 2.390 5.670 ( 0.000 3.573 1.403) 3.838 5.682 ( 0.000 2.588 0.381) 2.615 5.762 ( 0.000 3.556 1.213) 3.757 5.805 ( 0.000 -0.356 -0.976) 1.039 5.891 ( 0.000 2.575 3.106) 4.035 5.897 ( 0.000 1.748 2.445) 3.006 6.275 ( 0.000 4.963 -1.722) 5.253 6.312 ( 0.000 1.013 -4.477) 4.590 6.673 ( 0.000 0.910 1.948) 2.150 6.679 ( 0.000 -0.238 -0.386) 0.453 6.802 ( 0.000 3.098 1.802) 3.584 6.841 ( 0.000 -0.519 -0.263) 0.582 6.915 ( 0.000 2.053 1.685) 2.656 6.923 ( 0.000 1.875 1.874) 2.651 7.174 ( 0.000 3.392 1.968) 3.921 7.174 ( 0.000 3.494 1.096) 3.662 7.399 ( 0.000 4.508 -4.718) 6.526 7.409 ( 0.000 3.801 -4.219) 5.679 8.618 ( 0.000 7.560 0.735) 7.596 8.675 ( 0.000 4.260 -1.526) 4.525 8.786 ( 0.000 -0.196 0.774) 0.799 8.828 ( 0.000 -2.116 -1.070) 2.372 9.094 ( 0.000 3.097 0.065) 3.097 9.121 ( 0.000 0.852 -0.995) 1.310 9.292 ( 0.000 4.030 -0.156) 4.033 9.333 ( 0.000 -0.618 -1.689) 1.799 10.140 ( 0.000 -0.511 -0.558) 0.757 10.181 ( 0.000 -3.118 -1.240) 3.355 10.293 ( 0.000 -0.292 2.792) 2.807 10.347 ( 0.000 -6.857 2.000) 7.143 10.728 ( 0.000 13.814 11.474) 17.958 10.965 ( 0.000 -6.965 2.735) 7.483 11.220 ( 0.000 7.129 1.859) 7.367 11.353 ( 0.000 7.462 -1.098) 7.543 11.400 ( 0.000 -3.207 -2.552) 4.099 11.589 ( 0.000 11.654 -2.740) 11.972 11.661 ( 0.000 -12.978 -9.325) 15.981 11.770 ( 0.000 -2.869 -11.465) 11.818 12.047 ( 0.000 -0.816 4.974) 5.041 12.119 ( 0.000 -6.034 0.269) 6.040 12.359 ( 0.000 0.268 5.815) 5.821 12.395 ( 0.000 -5.227 3.260) 6.160 12.571 ( 0.000 6.529 5.419) 8.485 12.768 ( 0.000 -12.239 7.552) 14.381 12.881 ( 0.000 8.820 -2.281) 9.110 13.109 ( 0.000 -13.287 -3.803) 13.821 13.515 ( 0.000 3.409 -1.189) 3.610 13.523 ( 0.000 9.003 -1.050) 9.064 13.567 ( 0.000 -1.359 -0.017) 1.360 13.698 ( 0.000 -7.447 -4.497) 8.700 14.084 ( 0.000 4.471 0.444) 4.493 14.139 ( 0.000 -1.021 -1.465) 1.785 14.706 ( 0.000 1.684 0.166) 1.692 14.731 ( 0.000 -0.736 -0.816) 1.099 16.978 ( 0.000 3.439 -0.175) 3.443 17.044 ( 0.000 -2.860 -2.644) 3.895 17.244 ( 0.000 -0.727 0.986) 1.225 17.279 ( 0.000 -4.636 -0.136) 4.638 17.360 ( 0.000 -2.519 -0.129) 2.522 17.361 ( 0.000 -2.347 -0.872) 2.503 17.620 ( 0.000 2.935 3.263) 4.389 17.685 ( 0.000 -3.441 0.280) 3.453 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 2.250 1.502 -0.128) 2.708 2.548 ( 2.762 0.088 -0.149) 2.768 2.712 ( 0.036 9.016 -0.168) 9.018 2.828 ( -1.236 0.286 -4.737) 4.903 2.878 ( -4.403 6.338 -0.249) 7.721 2.906 ( -0.906 0.936 -2.029) 2.411 2.988 ( 0.372 -6.315 -0.329) 6.335 3.031 ( -3.287 -7.519 -1.188) 8.292 3.459 ( 0.047 7.416 6.204) 9.669 3.542 ( -0.792 4.471 3.618) 5.805 3.622 ( -0.431 4.201 2.120) 4.725 3.715 ( -1.028 5.337 2.123) 5.835 3.796 ( -1.130 -5.635 0.811) 5.804 3.840 ( 2.207 -3.364 -2.380) 4.674 3.968 ( -0.644 -3.749 -1.650) 4.147 3.985 ( 0.867 -2.172 -3.518) 4.224 4.349 ( 1.740 1.974 -1.212) 2.897 4.377 ( 1.821 -0.096 -1.250) 2.211 4.446 ( 3.729 -3.972 0.852) 5.515 4.483 ( 2.708 -6.983 -0.804) 7.533 5.521 ( -0.574 3.959 -0.488) 4.030 5.538 ( -0.182 2.285 -0.844) 2.442 5.631 ( -2.785 5.189 -0.394) 5.902 5.674 ( -1.314 1.303 -1.035) 2.120 5.799 ( 2.307 3.119 1.723) 4.244 5.820 ( 1.545 0.926 1.327) 2.237 5.899 ( 0.260 3.024 2.936) 4.223 5.915 ( 1.262 1.043 2.094) 2.658 6.288 ( 2.094 3.835 -0.742) 4.432 6.321 ( 1.622 0.563 -3.477) 3.877 6.634 ( -3.491 1.563 -0.928) 3.936 6.663 ( -3.155 -1.033 -2.262) 4.017 6.817 ( 1.270 2.538 3.974) 4.884 6.840 ( 0.788 0.276 1.779) 1.965 6.892 ( -0.972 3.578 2.940) 4.732 6.922 ( -0.668 0.179 3.057) 3.134 7.198 ( 2.120 4.483 0.930) 5.045 7.215 ( 3.132 3.017 -0.913) 4.444 7.375 ( -2.082 5.011 -3.694) 6.564 7.396 ( -1.239 3.093 -4.296) 5.437 8.655 ( 3.069 6.074 0.362) 6.815 8.699 ( 2.172 3.167 -1.518) 4.129 8.787 ( -0.217 0.600 1.028) 1.210 8.839 ( 0.428 -3.211 -1.291) 3.488 9.132 ( 4.317 5.591 0.571) 7.087 9.188 ( 5.409 1.046 -1.820) 5.802 9.305 ( 1.391 4.937 0.424) 5.147 9.357 ( 1.731 0.105 -1.736) 2.454 10.166 ( 2.464 -1.438 -0.063) 2.853 10.187 ( 0.540 -2.351 0.005) 2.412 10.316 ( 1.841 -0.955 3.084) 3.716 10.355 ( -0.239 -5.355 3.036) 6.160 10.669 ( -3.759 10.657 8.911) 14.391 10.882 ( -6.197 -7.485 1.106) 9.780 11.033 ( -12.030 7.216 -0.406) 14.034 11.229 ( -11.974 -9.547 -0.637) 15.327 11.493 ( 7.258 12.550 -2.905) 14.785 11.635 ( 3.508 10.727 -3.280) 11.753 11.734 ( 3.736 -7.444 -7.230) 11.029 11.809 ( 2.937 -3.616 -11.002) 11.947 12.083 ( 3.280 -1.678 4.429) 5.761 12.130 ( 1.038 -4.769 0.926) 4.968 12.331 ( -3.663 1.449 6.228) 7.369 12.371 ( -1.758 -4.161 3.859) 5.941 12.574 ( 1.027 3.134 3.715) 4.968 12.732 ( -3.012 -10.728 5.853) 12.586 12.778 ( -6.987 7.061 -0.962) 9.979 12.991 ( -8.804 -12.501 -1.970) 15.416 13.572 ( 5.506 6.841 1.087) 8.849 13.660 ( 7.369 0.504 -0.910) 7.442 13.695 ( 11.869 1.066 -1.831) 12.057 13.789 ( 9.293 -5.153 -5.085) 11.781 14.038 ( -4.138 3.835 1.043) 5.737 14.091 ( -4.442 -1.223 -0.887) 4.692 14.576 ( -11.033 3.209 0.301) 11.494 14.634 ( -9.253 -2.305 -1.888) 9.721 17.029 ( 4.125 2.579 -0.730) 4.919 17.076 ( 2.542 -1.960 -2.361) 3.985 17.225 ( -1.525 -0.910 0.811) 1.952 17.261 ( -1.680 -4.554 -0.516) 4.881 17.377 ( 2.700 -0.345 0.570) 2.781 17.417 ( 4.113 -4.112 -0.543) 5.841 17.607 ( -1.371 2.763 3.150) 4.409 17.671 ( -1.494 -3.457 0.264) 3.775 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 4.666 2.115 0.596) 5.158 2.623 ( 4.057 0.311 1.627) 4.382 2.709 ( -1.400 4.200 -0.562) 4.463 2.738 ( -6.038 0.785 0.303) 6.096 2.817 ( -0.679 6.446 -2.308) 6.881 2.855 ( -3.294 4.891 -1.822) 6.172 2.988 ( 0.642 -8.427 -3.873) 9.296 3.004 ( -0.507 -9.215 -3.198) 9.768 3.475 ( 1.574 8.107 3.926) 9.145 3.516 ( -1.841 8.438 2.849) 9.095 3.614 ( 0.500 -1.816 1.697) 2.535 3.659 ( -3.418 -0.799 0.726) 3.584 3.826 ( 3.647 2.505 3.227) 5.476 3.888 ( 0.003 2.274 0.832) 2.421 3.951 ( 0.528 -3.830 0.779) 3.944 3.988 ( -1.138 -2.119 -1.340) 2.754 4.387 ( 1.492 3.417 -1.236) 3.928 4.401 ( 0.291 2.108 -0.939) 2.326 4.519 ( 2.566 -7.817 -2.108) 8.493 4.534 ( 1.279 -9.280 -2.515) 9.700 5.524 ( 1.083 4.781 -1.089) 5.022 5.555 ( 2.106 1.975 -2.281) 3.679 5.568 ( -2.901 5.684 -1.525) 6.561 5.620 ( -3.502 0.956 -3.214) 4.849 5.842 ( 1.772 4.115 2.370) 5.069 5.856 ( 1.153 3.496 2.799) 4.624 5.897 ( 0.223 1.537 3.492) 3.822 5.922 ( -0.950 -0.172 2.573) 2.748 6.385 ( 6.825 1.571 -0.603) 7.029 6.399 ( 5.692 0.608 -2.493) 6.244 6.529 ( -6.237 1.255 -2.107) 6.701 6.544 ( -7.372 -0.192 -1.922) 7.621 6.850 ( 1.719 2.686 3.850) 4.999 6.869 ( 0.883 1.146 4.239) 4.480 6.881 ( -0.042 1.897 2.600) 3.219 6.900 ( -1.229 0.101 4.621) 4.782 7.250 ( 2.735 6.097 -0.984) 6.755 7.280 ( 2.160 4.415 -2.991) 5.754 7.326 ( -1.738 3.833 -2.159) 4.730 7.357 ( -2.435 1.957 -3.665) 4.816 8.719 ( 2.666 3.791 -0.043) 4.634 8.750 ( 1.145 2.387 -0.820) 2.771 8.779 ( 0.607 -0.318 -0.042) 0.686 8.824 ( -1.920 -3.016 -1.323) 3.812 9.253 ( 5.767 7.615 0.435) 9.563 9.297 ( 3.041 5.781 -1.337) 6.667 9.341 ( 1.874 3.224 0.302) 3.741 9.376 ( -0.495 2.216 -1.237) 2.586 10.212 ( 2.369 -1.045 2.672) 3.720 10.239 ( 4.258 -3.760 2.414) 6.172 10.297 ( -4.545 -0.826 4.457) 6.419 10.328 ( -2.113 -3.698 3.966) 5.819 10.648 ( 2.555 6.219 3.330) 7.503 10.788 ( -9.679 7.454 -0.332) 12.221 10.827 ( 2.320 -10.143 -2.083) 10.611 10.981 ( -10.650 -9.900 -2.354) 14.730 11.619 ( 4.669 11.485 -3.229) 12.811 11.678 ( -0.526 9.899 -5.006) 11.105 11.797 ( 3.248 -2.002 -5.821) 6.960 11.846 ( -0.353 -4.600 -8.931) 10.053 12.156 ( 2.374 -0.633 1.976) 3.153 12.176 ( 3.843 0.289 2.973) 4.868 12.236 ( -3.543 2.754 6.041) 7.525 12.300 ( -5.026 -1.277 4.310) 6.743 12.636 ( 3.805 -2.267 1.349) 4.630 12.672 ( -1.872 -7.100 4.301) 8.509 12.682 ( -0.642 -2.411 0.667) 2.583 12.804 ( -8.472 -10.747 0.144) 13.685 13.721 ( 8.170 5.575 2.103) 10.112 13.803 ( 6.805 -1.955 -0.119) 7.081 13.890 ( -5.733 3.989 0.947) 7.048 13.951 ( -1.973 -1.087 -1.218) 2.561 14.000 ( 8.942 2.719 -0.522) 9.360 14.072 ( 13.281 -3.262 -3.951) 14.235 14.300 ( -14.262 3.694 -0.476) 14.741 14.380 ( -14.145 -3.630 -3.364) 14.986 17.111 ( 3.011 1.576 -1.630) 3.769 17.127 ( 1.719 0.414 -2.133) 2.770 17.194 ( -0.934 -2.992 0.535) 3.180 17.216 ( -2.321 -4.553 -0.546) 5.140 17.461 ( 4.791 1.460 1.899) 5.356 17.517 ( 4.553 -3.335 -0.311) 5.652 17.558 ( -2.942 1.439 2.791) 4.303 17.618 ( -3.649 -3.773 0.148) 5.251 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 0.000 -22.520) 22.520 1.167 ( 0.000 0.000 22.520) 22.520 1.249 ( 0.000 0.000 -24.323) 24.323 1.249 ( 0.000 0.000 24.323) 24.323 2.119 ( 0.000 0.000 -4.102) 4.102 2.119 ( 0.000 0.000 4.102) 4.102 2.216 ( 0.000 0.000 -6.442) 6.442 2.216 ( 0.000 0.000 6.442) 6.442 2.466 ( 0.000 0.000 -7.337) 7.337 2.466 ( 0.000 0.000 7.337) 7.337 2.570 ( 0.000 0.000 -1.708) 1.708 2.570 ( 0.000 0.000 1.708) 1.708 2.757 ( 0.000 0.000 -10.038) 10.038 2.757 ( 0.000 0.000 10.038) 10.038 2.871 ( 0.000 0.000 -7.522) 7.522 2.871 ( 0.000 0.000 7.522) 7.522 3.146 ( 0.000 0.000 -4.975) 4.975 3.146 ( 0.000 0.000 4.975) 4.975 3.349 ( 0.000 0.000 -0.357) 0.357 3.349 ( 0.000 0.000 0.357) 0.357 3.638 ( 0.000 0.000 -3.671) 3.671 3.638 ( 0.000 0.000 3.671) 3.671 4.140 ( 0.000 0.000 -7.850) 7.850 4.140 ( 0.000 0.000 7.850) 7.850 4.498 ( 0.000 0.000 -8.686) 8.686 4.498 ( 0.000 0.000 8.686) 8.686 4.982 ( 0.000 0.000 -8.816) 8.816 4.982 ( 0.000 0.000 8.816) 8.816 5.025 ( 0.000 0.000 -18.048) 18.048 5.025 ( 0.000 0.000 18.048) 18.048 5.556 ( 0.000 0.000 -18.118) 18.118 5.556 ( 0.000 0.000 18.118) 18.118 6.761 ( 0.000 0.000 -0.138) 0.138 6.761 ( 0.000 0.000 0.138) 0.138 7.032 ( 0.000 0.000 -4.397) 4.397 7.032 ( 0.000 0.000 4.397) 4.397 7.330 ( 0.000 0.000 -2.534) 2.534 7.330 ( 0.000 0.000 2.534) 2.534 7.967 ( 0.000 0.000 -4.181) 4.181 7.967 ( 0.000 0.000 4.181) 4.181 8.026 ( 0.000 0.000 -4.881) 4.881 8.026 ( 0.000 0.000 4.881) 4.881 8.211 ( 0.000 0.000 -3.465) 3.465 8.211 ( 0.000 0.000 3.465) 3.465 8.532 ( 0.000 0.000 -10.473) 10.473 8.532 ( 0.000 0.000 10.473) 10.473 8.948 ( 0.000 0.000 -3.511) 3.511 8.948 ( 0.000 0.000 3.511) 3.511 9.106 ( 0.000 0.000 -0.132) 0.132 9.106 ( 0.000 0.000 0.132) 0.132 9.575 ( 0.000 0.000 -2.840) 2.840 9.575 ( 0.000 0.000 2.840) 2.840 10.127 ( 0.000 0.000 -11.789) 11.789 10.127 ( 0.000 0.000 11.789) 11.789 10.512 ( 0.000 0.000 -1.274) 1.274 10.512 ( 0.000 0.000 1.274) 1.274 11.140 ( 0.000 0.000 -0.330) 0.330 11.140 ( 0.000 0.000 0.330) 0.330 11.192 ( 0.000 0.000 -7.838) 7.838 11.192 ( 0.000 0.000 7.838) 7.838 11.819 ( 0.000 0.000 -12.914) 12.914 11.819 ( 0.000 0.000 12.914) 12.914 12.212 ( 0.000 0.000 -3.872) 3.872 12.212 ( 0.000 0.000 3.872) 3.872 13.459 ( 0.000 0.000 -3.376) 3.376 13.459 ( 0.000 0.000 3.376) 3.376 13.775 ( 0.000 0.000 -15.748) 15.748 13.775 ( 0.000 0.000 15.748) 15.748 14.283 ( 0.000 0.000 -0.847) 0.847 14.283 ( 0.000 0.000 0.847) 0.847 14.337 ( 0.000 0.000 -0.767) 0.767 14.337 ( 0.000 0.000 0.767) 0.767 14.527 ( 0.000 0.000 -3.049) 3.049 14.527 ( 0.000 0.000 3.049) 3.049 14.747 ( 0.000 0.000 -4.709) 4.709 14.747 ( 0.000 0.000 4.709) 4.709 16.298 ( 0.000 0.000 -1.560) 1.560 16.298 ( 0.000 0.000 1.560) 1.560 17.225 ( 0.000 0.000 -4.581) 4.581 17.225 ( 0.000 0.000 4.581) 4.581 18.988 ( 0.000 0.000 -8.125) 8.125 18.988 ( 0.000 0.000 8.125) 8.125 19.757 ( 0.000 0.000 -2.839) 2.839 19.757 ( 0.000 0.000 2.839) 2.839 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 13.178 0.000 -18.372) 22.610 1.298 ( 13.178 0.000 18.372) 22.610 1.345 ( 8.677 0.000 -21.503) 23.188 1.345 ( 8.677 0.000 21.503) 23.188 2.106 ( -9.406 0.000 -6.968) 11.705 2.106 ( -9.406 0.000 6.968) 11.705 2.184 ( 4.781 0.000 -3.214) 5.761 2.184 ( 4.781 0.000 3.214) 5.761 2.494 ( -0.399 0.000 -9.689) 9.698 2.494 ( -0.399 0.000 9.689) 9.698 2.613 ( 3.214 0.000 -1.295) 3.465 2.613 ( 3.214 0.000 1.295) 3.465 2.830 ( -0.352 0.000 -9.730) 9.737 2.830 ( -0.352 0.000 9.730) 9.737 2.853 ( -1.599 0.000 -5.550) 5.775 2.853 ( -1.599 0.000 5.550) 5.775 3.065 ( 3.156 0.000 -12.657) 13.045 3.065 ( 3.156 0.000 12.657) 13.045 3.382 ( 2.891 0.000 -1.189) 3.126 3.382 ( 2.891 0.000 1.189) 3.126 3.621 ( -1.626 0.000 -3.439) 3.804 3.621 ( -1.626 0.000 3.439) 3.804 4.083 ( -5.790 0.000 -11.198) 12.607 4.083 ( -5.790 0.000 11.198) 12.607 4.491 ( -2.013 0.000 -13.682) 13.830 4.491 ( -2.013 0.000 13.682) 13.830 4.891 ( -3.895 0.000 -11.081) 11.746 4.891 ( -3.895 0.000 11.081) 11.746 5.162 ( 7.515 0.000 -3.337) 8.223 5.162 ( 7.515 0.000 3.337) 8.223 5.572 ( 0.697 0.000 -15.751) 15.766 5.572 ( 0.697 0.000 15.751) 15.766 6.794 ( 2.663 0.000 -1.029) 2.855 6.794 ( 2.663 0.000 1.029) 2.855 6.993 ( -1.311 0.000 -3.969) 4.180 6.993 ( -1.311 0.000 3.969) 4.180 7.307 ( -1.962 0.000 -3.955) 4.415 7.307 ( -1.962 0.000 3.955) 4.415 7.997 ( 0.158 0.000 -5.228) 5.230 7.997 ( 0.158 0.000 5.228) 5.230 8.002 ( -1.933 0.000 -3.604) 4.090 8.002 ( -1.933 0.000 3.604) 4.090 8.206 ( -0.316 0.000 -2.474) 2.494 8.206 ( -0.316 0.000 2.474) 2.494 8.552 ( 3.342 0.000 -2.203) 4.003 8.552 ( 3.342 0.000 2.203) 4.003 9.022 ( 6.490 0.000 -3.651) 7.446 9.022 ( 6.490 0.000 3.651) 7.446 9.058 ( -4.304 0.000 -8.445) 9.478 9.058 ( -4.304 0.000 8.445) 9.478 9.528 ( -4.373 0.000 -3.018) 5.313 9.528 ( -4.373 0.000 3.018) 5.313 10.307 ( 15.499 0.000 -8.524) 17.688 10.307 ( 15.499 0.000 8.524) 17.688 10.511 ( -0.046 0.000 -1.015) 1.016 10.511 ( -0.046 0.000 1.015) 1.016 11.143 ( 0.194 0.000 -0.265) 0.328 11.143 ( 0.194 0.000 0.265) 0.328 11.169 ( -1.874 0.000 -5.597) 5.902 11.169 ( -1.874 0.000 5.597) 5.902 11.843 ( -0.914 0.000 -11.585) 11.621 11.843 ( -0.914 0.000 11.585) 11.621 12.197 ( 0.597 0.000 -4.492) 4.531 12.197 ( 0.597 0.000 4.492) 4.531 13.436 ( -6.414 0.000 -2.034) 6.729 13.436 ( -6.414 0.000 2.034) 6.729 13.568 ( -12.629 0.000 -8.868) 15.432 13.568 ( -12.629 0.000 8.868) 15.432 14.285 ( 0.218 0.000 -0.755) 0.786 14.285 ( 0.218 0.000 0.755) 0.786 14.334 ( -0.224 0.000 -0.690) 0.725 14.334 ( -0.224 0.000 0.690) 0.725 14.507 ( -1.811 0.000 -2.675) 3.230 14.507 ( -1.811 0.000 2.675) 3.230 14.666 ( -3.306 0.000 -5.289) 6.237 14.666 ( -3.306 0.000 5.289) 6.237 16.546 ( 17.275 0.000 -5.299) 18.069 16.546 ( 17.275 0.000 5.299) 18.069 17.258 ( 2.594 0.000 -4.168) 4.910 17.258 ( 2.594 0.000 4.168) 4.910 19.001 ( 1.263 0.000 -7.737) 7.840 19.001 ( 1.263 0.000 7.737) 7.840 19.603 ( -12.277 0.000 -2.002) 12.439 19.603 ( -12.277 0.000 2.002) 12.439 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 12.772 0.000 -15.439) 20.038 1.578 ( 12.772 0.000 15.439) 20.038 1.683 ( 21.510 0.000 -10.526) 23.948 1.683 ( 21.510 0.000 10.526) 23.948 1.866 ( -12.808 0.000 -10.016) 16.259 1.866 ( -12.808 0.000 10.016) 16.259 2.139 ( -15.060 0.000 -12.243) 19.409 2.139 ( -15.060 0.000 12.243) 19.409 2.411 ( -0.318 0.000 -17.217) 17.220 2.411 ( -0.318 0.000 17.217) 17.220 2.673 ( 1.940 0.000 -0.587) 2.027 2.673 ( 1.940 0.000 0.587) 2.027 2.817 ( -1.371 0.000 -1.921) 2.360 2.817 ( -1.371 0.000 1.921) 2.360 2.823 ( 1.440 0.000 -3.816) 4.079 2.823 ( 1.440 0.000 3.816) 4.079 3.262 ( 7.881 0.000 -8.141) 11.331 3.262 ( 7.881 0.000 8.141) 11.331 3.448 ( 2.651 0.000 -1.443) 3.019 3.448 ( 2.651 0.000 1.443) 3.019 3.578 ( -1.951 0.000 -2.163) 2.913 3.578 ( -1.951 0.000 2.163) 2.913 3.955 ( -4.286 0.000 -5.508) 6.979 3.955 ( -4.286 0.000 5.508) 6.979 4.435 ( -1.940 0.000 -9.466) 9.662 4.435 ( -1.940 0.000 9.466) 9.662 4.809 ( -3.377 0.000 -5.481) 6.438 4.809 ( -3.377 0.000 5.481) 6.438 5.287 ( 3.584 0.000 -1.718) 3.974 5.287 ( 3.584 0.000 1.718) 3.974 5.564 ( -0.913 0.000 -6.602) 6.665 5.564 ( -0.913 0.000 6.602) 6.665 6.858 ( 2.846 0.000 -1.817) 3.377 6.858 ( 2.846 0.000 1.817) 3.377 7.003 ( 0.904 0.000 -0.790) 1.200 7.003 ( 0.904 0.000 0.790) 1.200 7.265 ( -1.518 0.000 -3.225) 3.565 7.265 ( -1.518 0.000 3.225) 3.565 7.949 ( -2.764 0.000 -3.360) 4.351 7.949 ( -2.764 0.000 3.360) 4.351 7.966 ( -1.090 0.000 -1.219) 1.636 7.966 ( -1.090 0.000 1.219) 1.636 8.201 ( -0.138 0.000 -0.795) 0.807 8.201 ( -0.138 0.000 0.795) 0.807 8.667 ( 5.499 0.000 -3.869) 6.724 8.667 ( 5.499 0.000 3.869) 6.724 8.952 ( -4.638 0.000 -7.280) 8.632 8.952 ( -4.638 0.000 7.280) 8.632 9.182 ( 7.554 0.000 -3.174) 8.194 9.182 ( 7.554 0.000 3.174) 8.194 9.407 ( -6.409 0.000 -2.896) 7.033 9.407 ( -6.409 0.000 2.896) 7.033 10.510 ( -0.023 0.000 -0.379) 0.379 10.510 ( -0.023 0.000 0.379) 0.379 10.658 ( 14.099 0.000 -1.435) 14.172 10.658 ( 14.099 0.000 1.435) 14.172 11.122 ( -2.536 0.000 -3.042) 3.960 11.122 ( -2.536 0.000 3.042) 3.960 11.147 ( 0.117 0.000 -0.100) 0.154 11.147 ( 0.117 0.000 0.100) 0.154 11.708 ( -8.199 0.000 -4.389) 9.300 11.708 ( -8.199 0.000 4.389) 9.300 12.288 ( 5.407 0.000 -4.511) 7.042 12.288 ( 5.407 0.000 4.511) 7.042 13.127 ( -12.048 0.000 -2.100) 12.229 13.127 ( -12.048 0.000 2.100) 12.229 13.510 ( 0.233 0.000 -1.354) 1.374 13.510 ( 0.233 0.000 1.354) 1.374 14.290 ( 0.168 0.000 -0.357) 0.395 14.290 ( 0.168 0.000 0.357) 0.395 14.329 ( -0.172 0.000 -0.332) 0.374 14.329 ( -0.172 0.000 0.332) 0.374 14.478 ( -0.633 0.000 -0.966) 1.155 14.478 ( -0.633 0.000 0.966) 1.155 14.641 ( -0.147 0.000 -1.964) 1.970 14.641 ( -0.147 0.000 1.964) 1.970 16.827 ( 7.649 0.000 -3.415) 8.377 16.827 ( 7.649 0.000 3.415) 8.377 17.303 ( 1.176 0.000 -2.082) 2.391 17.303 ( 1.176 0.000 2.082) 2.391 19.040 ( 2.037 0.000 -4.761) 5.178 19.040 ( 2.037 0.000 4.761) 5.178 19.367 ( -7.784 0.000 -3.603) 8.577 19.367 ( -7.784 0.000 3.603) 8.577 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 8.720 -19.163) 21.053 1.259 ( 0.000 8.720 19.163) 21.053 1.470 ( 0.000 17.272 -20.160) 26.548 1.470 ( 0.000 17.272 20.160) 26.548 2.229 ( 0.000 7.785 -16.899) 18.606 2.229 ( 0.000 7.785 16.899) 18.606 2.322 ( 0.000 11.343 -4.725) 12.287 2.322 ( 0.000 11.343 4.725) 12.287 2.646 ( 0.000 19.340 -15.609) 24.853 2.646 ( 0.000 19.340 15.609) 24.853 2.715 ( 0.000 8.805 -3.051) 9.319 2.715 ( 0.000 8.805 3.051) 9.319 2.766 ( 0.000 6.369 -9.856) 11.735 2.766 ( 0.000 6.369 9.856) 11.735 3.095 ( 0.000 16.835 -5.266) 17.640 3.095 ( 0.000 16.835 5.266) 17.640 3.139 ( 0.000 4.873 -5.664) 7.471 3.139 ( 0.000 4.873 5.664) 7.471 3.605 ( 0.000 22.738 -0.395) 22.741 3.605 ( 0.000 22.738 0.395) 22.741 3.862 ( 0.000 18.519 -3.952) 18.936 3.862 ( 0.000 18.519 3.952) 18.936 4.157 ( 0.000 3.451 -7.682) 8.422 4.157 ( 0.000 3.451 7.682) 8.422 4.499 ( 0.000 0.205 -8.593) 8.596 4.499 ( 0.000 0.205 8.593) 8.596 4.955 ( 0.000 -2.432 -10.501) 10.779 4.955 ( 0.000 -2.432 10.501) 10.779 5.012 ( 0.000 -1.175 -16.179) 16.222 5.012 ( 0.000 -1.175 16.179) 16.222 5.541 ( 0.000 -0.966 -16.302) 16.331 5.541 ( 0.000 -0.966 16.302) 16.331 6.762 ( 0.000 -0.267 -0.829) 0.871 6.762 ( 0.000 -0.267 0.829) 0.871 6.885 ( 0.000 -9.633 -7.238) 12.049 6.885 ( 0.000 -9.633 7.238) 12.049 7.262 ( 0.000 -5.706 -1.383) 5.871 7.262 ( 0.000 -5.706 1.383) 5.871 7.702 ( 0.000 -15.532 -4.671) 16.219 7.702 ( 0.000 -15.532 4.671) 16.219 8.222 ( 0.000 10.679 -3.128) 11.128 8.222 ( 0.000 10.679 3.128) 11.128 8.404 ( 0.000 5.076 -3.676) 6.268 8.404 ( 0.000 5.076 3.676) 6.268 8.604 ( 0.000 13.027 -7.261) 14.914 8.604 ( 0.000 13.027 7.261) 14.914 9.041 ( 0.000 -3.983 -0.509) 4.015 9.041 ( 0.000 -3.983 0.509) 4.015 9.216 ( 0.000 22.233 -3.307) 22.477 9.216 ( 0.000 22.233 3.307) 22.477 9.716 ( 0.000 13.060 -1.940) 13.203 9.716 ( 0.000 13.060 1.940) 13.203 10.128 ( 0.000 0.741 -13.288) 13.309 10.128 ( 0.000 0.741 13.288) 13.309 10.553 ( 0.000 3.458 -1.734) 3.868 10.553 ( 0.000 3.458 1.734) 3.868 11.067 ( 0.000 -5.188 -0.894) 5.264 11.067 ( 0.000 -5.188 0.894) 5.264 11.242 ( 0.000 4.278 -4.008) 5.862 11.242 ( 0.000 4.278 4.008) 5.862 11.833 ( 0.000 0.539 -11.813) 11.825 11.833 ( 0.000 0.539 11.813) 11.825 12.306 ( 0.000 7.622 -7.192) 10.479 12.306 ( 0.000 7.622 7.192) 10.479 13.423 ( 0.000 -7.526 -2.665) 7.983 13.423 ( 0.000 -7.526 2.665) 7.983 13.666 ( 0.000 -8.722 -11.841) 14.706 13.666 ( 0.000 -8.722 11.841) 14.706 14.050 ( 0.000 -12.101 -2.455) 12.347 14.050 ( 0.000 -12.101 2.455) 12.347 14.273 ( 0.000 -2.339 -2.361) 3.324 14.273 ( 0.000 -2.339 2.361) 3.324 14.603 ( 0.000 1.594 -2.991) 3.390 14.603 ( 0.000 1.594 2.991) 3.390 14.695 ( 0.000 -5.880 -3.755) 6.977 14.695 ( 0.000 -5.880 3.755) 6.977 16.551 ( 0.000 18.550 -4.083) 18.994 16.551 ( 0.000 18.550 4.083) 18.994 17.241 ( 0.000 1.628 -3.167) 3.561 17.241 ( 0.000 1.628 3.167) 3.561 18.904 ( 0.000 -8.183 -7.562) 11.142 18.904 ( 0.000 -8.183 7.562) 11.142 19.560 ( 0.000 -17.758 -1.248) 17.802 19.560 ( 0.000 -17.758 1.248) 17.802 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 9.461 6.677 -17.458) 20.949 1.344 ( 9.461 6.677 17.458) 20.949 1.570 ( 8.977 16.001 -19.551) 26.812 1.570 ( 8.977 16.001 19.551) 26.812 2.192 ( -5.079 7.154 -9.976) 13.286 2.192 ( -5.079 7.154 9.976) 13.286 2.344 ( 0.800 13.747 -6.154) 15.083 2.344 ( 0.800 13.747 6.154) 15.083 2.544 ( -4.527 9.090 -14.085) 17.364 2.544 ( -4.527 9.090 14.085) 17.364 2.811 ( 2.739 9.316 -3.897) 10.463 2.811 ( 2.739 9.316 3.897) 10.463 2.866 ( 3.520 14.316 -8.698) 17.117 2.866 ( 3.520 14.316 8.698) 17.117 3.031 ( -2.315 6.359 -5.316) 8.605 3.031 ( -2.315 6.359 5.316) 8.605 3.138 ( 5.132 15.646 -4.973) 17.201 3.138 ( 5.132 15.646 4.973) 17.201 3.624 ( 1.716 21.628 -0.623) 21.705 3.624 ( 1.716 21.628 0.623) 21.705 3.845 ( -1.704 19.782 -3.965) 20.247 3.845 ( -1.704 19.782 3.965) 20.247 4.089 ( -5.822 1.491 -10.395) 12.007 4.089 ( -5.822 1.491 10.395) 12.007 4.488 ( -2.426 0.750 -11.632) 11.906 4.488 ( -2.426 0.750 11.632) 11.906 4.874 ( -3.278 -1.590 -10.795) 11.393 4.874 ( -3.278 -1.590 10.795) 11.393 5.145 ( 7.343 -1.593 -3.292) 8.203 5.145 ( 7.343 -1.593 3.292) 8.203 5.541 ( -0.399 -2.338 -13.965) 14.165 5.541 ( -0.399 -2.338 13.965) 14.165 6.777 ( 1.420 -2.176 -2.754) 3.786 6.777 ( 1.420 -2.176 2.754) 3.786 6.891 ( 1.505 -6.497 -3.089) 7.350 6.891 ( 1.505 -6.497 3.089) 7.350 7.235 ( -2.154 -5.996 -2.001) 6.678 7.235 ( -2.154 -5.996 2.001) 6.678 7.745 ( 2.450 -14.452 -5.738) 15.741 7.745 ( 2.450 -14.452 5.738) 15.741 8.228 ( 0.557 14.342 -2.468) 14.563 8.228 ( 0.557 14.342 2.468) 14.563 8.449 ( 2.410 8.411 -3.414) 9.392 8.449 ( 2.410 8.411 3.414) 9.392 8.546 ( -2.633 6.911 -3.526) 8.193 8.546 ( -2.633 6.911 3.526) 8.193 9.005 ( -3.735 -3.710 -9.332) 10.715 9.005 ( -3.735 -3.710 9.332) 10.715 9.260 ( 4.254 20.614 -3.404) 21.322 9.260 ( 4.254 20.614 3.404) 21.322 9.669 ( -4.286 12.968 -2.040) 13.810 9.669 ( -4.286 12.968 2.040) 13.810 10.273 ( 12.140 -1.873 -9.763) 15.691 10.273 ( 12.140 -1.873 9.763) 15.691 10.568 ( 1.715 4.864 -1.657) 5.417 10.568 ( 1.715 4.864 1.657) 5.417 11.054 ( -0.578 -5.464 -0.930) 5.573 11.054 ( -0.578 -5.464 0.930) 5.573 11.238 ( -0.272 4.616 -2.413) 5.215 11.238 ( -0.272 4.616 2.413) 5.215 11.867 ( 0.198 1.116 -10.533) 10.594 11.867 ( 0.198 1.116 10.533) 10.594 12.257 ( -2.526 5.196 -5.202) 7.775 12.257 ( -2.526 5.196 5.202) 7.775 13.366 ( -7.507 -9.042 -3.520) 12.268 13.366 ( -7.507 -9.042 3.520) 12.268 13.551 ( -8.322 -0.761 -8.748) 12.098 13.551 ( -8.322 -0.761 8.748) 12.098 14.024 ( -0.059 -15.344 -1.504) 15.417 14.024 ( -0.059 -15.344 1.504) 15.417 14.261 ( -2.446 -3.637 -1.967) 4.804 14.261 ( -2.446 -3.637 1.967) 4.804 14.519 ( -1.278 -1.584 -3.461) 4.015 14.519 ( -1.278 -1.584 3.461) 4.015 14.757 ( 1.620 2.224 -4.147) 4.977 14.757 ( 1.620 2.224 4.147) 4.977 16.700 ( 11.172 12.103 -5.720) 17.436 16.700 ( 11.172 12.103 5.720) 17.436 17.276 ( 2.868 1.868 -3.042) 4.579 17.276 ( 2.868 1.868 3.042) 4.579 18.913 ( 0.920 -8.484 -7.159) 11.139 18.913 ( 0.920 -8.484 7.159) 11.139 19.440 ( -9.721 -15.024 -3.586) 18.251 19.440 ( -9.721 -15.024 3.586) 18.251 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 16.004 4.648 -8.733) 18.815 1.637 ( 16.004 4.648 8.733) 18.815 1.806 ( 11.255 9.900 -13.890) 20.435 1.806 ( 11.255 9.900 13.890) 20.435 2.018 ( -8.724 12.284 -5.560) 16.060 2.018 ( -8.724 12.284 5.560) 16.060 2.202 ( -14.687 6.216 -9.123) 18.374 2.202 ( -14.687 6.216 9.123) 18.374 2.513 ( 1.280 12.999 -10.609) 16.828 2.513 ( 1.280 12.999 10.609) 16.828 2.772 ( -1.674 9.492 -2.105) 9.866 2.772 ( -1.674 9.492 2.105) 9.866 2.950 ( 4.032 13.460 -1.565) 14.138 2.950 ( 4.032 13.460 1.565) 14.138 3.031 ( -0.623 15.563 -1.353) 15.634 3.031 ( -0.623 15.563 1.353) 15.634 3.324 ( 7.314 8.555 -7.188) 13.354 3.324 ( 7.314 8.555 7.188) 13.354 3.666 ( 1.777 18.332 -0.809) 18.436 3.666 ( 1.777 18.332 0.809) 18.436 3.807 ( -1.026 21.109 -2.446) 21.275 3.807 ( -1.026 21.109 2.446) 21.275 3.969 ( -4.204 3.255 -5.323) 7.523 3.969 ( -4.204 3.255 5.323) 7.523 4.421 ( -2.422 -0.194 -8.080) 8.438 4.421 ( -2.422 -0.194 8.080) 8.438 4.804 ( -2.980 -0.375 -5.410) 6.188 4.804 ( -2.980 -0.375 5.410) 6.188 5.267 ( 3.588 -1.764 -1.039) 4.131 5.267 ( 3.588 -1.764 1.039) 4.131 5.519 ( -1.217 -3.741 -5.750) 6.967 5.519 ( -1.217 -3.741 5.750) 6.967 6.826 ( 2.501 -2.955 -2.334) 4.520 6.826 ( 2.501 -2.955 2.334) 4.520 6.931 ( 1.294 -5.709 -0.361) 5.865 6.931 ( 1.294 -5.709 0.361) 5.865 7.194 ( -1.258 -5.277 -2.088) 5.813 7.194 ( -1.258 -5.277 2.088) 5.813 7.764 ( -0.193 -11.487 -3.362) 11.971 7.764 ( -0.193 -11.487 3.362) 11.971 8.244 ( 0.827 21.125 -1.193) 21.175 8.244 ( 0.827 21.125 1.193) 21.175 8.391 ( -3.555 9.945 -0.712) 10.585 8.391 ( -3.555 9.945 0.712) 10.585 8.630 ( 5.839 -0.129 -5.284) 7.876 8.630 ( 5.839 -0.129 5.284) 7.876 8.903 ( -4.766 -3.943 -8.101) 10.193 8.903 ( -4.766 -3.943 8.101) 10.193 9.375 ( 5.875 16.910 -2.889) 18.133 9.375 ( 5.875 16.910 2.889) 18.133 9.555 ( -5.870 13.554 -2.167) 14.929 9.555 ( -5.870 13.554 2.167) 14.929 10.478 ( 4.171 -2.135 -3.014) 5.571 10.478 ( 4.171 -2.135 3.014) 5.571 10.650 ( 5.142 -0.481 -1.982) 5.532 10.650 ( 5.142 -0.481 1.982) 5.532 11.099 ( 6.088 -0.166 -3.787) 7.172 11.099 ( 6.088 -0.166 3.787) 7.172 11.218 ( -2.650 4.780 -5.483) 7.741 11.218 ( -2.650 4.780 5.483) 7.741 11.731 ( -9.652 1.582 -3.900) 10.530 11.731 ( -9.652 1.582 3.900) 10.530 12.300 ( 4.491 1.055 -3.844) 6.005 12.300 ( 4.491 1.055 3.844) 6.005 13.122 ( -9.973 -0.649 -2.093) 10.211 13.122 ( -9.973 -0.649 2.093) 10.211 13.464 ( -1.274 -5.251 -2.181) 5.827 13.464 ( -1.274 -5.251 2.181) 5.827 14.062 ( 2.551 -13.262 -1.545) 13.593 14.062 ( 2.551 -13.262 1.545) 13.593 14.190 ( -3.117 -8.571 -2.133) 9.366 14.190 ( -3.117 -8.571 2.133) 9.366 14.544 ( 1.689 1.748 -1.686) 2.958 14.544 ( 1.689 1.748 1.686) 2.958 14.761 ( -0.453 4.609 -2.089) 5.081 14.761 ( -0.453 4.609 2.089) 5.081 16.894 ( 5.581 5.671 -2.884) 8.463 16.894 ( 5.581 5.671 2.884) 8.463 17.328 ( 1.431 2.314 -1.599) 3.156 17.328 ( 1.431 2.314 1.599) 3.156 18.941 ( 1.362 -9.529 -4.176) 10.493 18.941 ( 1.362 -9.529 4.176) 10.493 19.251 ( -6.199 -11.053 -3.387) 13.117 19.251 ( -6.199 -11.053 3.387) 13.117 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 12.811 -11.186) 17.007 1.485 ( 0.000 12.811 11.186) 17.007 1.831 ( 0.000 18.091 -10.813) 21.076 1.831 ( 0.000 18.091 10.813) 21.076 2.340 ( 0.000 5.500 -12.643) 13.788 2.340 ( 0.000 5.500 12.643) 13.788 2.617 ( 0.000 8.945 -3.729) 9.691 2.617 ( 0.000 8.945 3.729) 9.691 2.842 ( 0.000 4.792 -6.112) 7.767 2.842 ( 0.000 4.792 6.112) 7.767 3.024 ( 0.000 22.659 -16.495) 28.027 3.024 ( 0.000 22.659 16.495) 28.027 3.174 ( 0.000 27.352 -3.938) 27.634 3.174 ( 0.000 27.352 3.938) 27.634 3.379 ( 0.000 22.455 -2.666) 22.613 3.379 ( 0.000 22.455 2.666) 22.613 3.596 ( 0.000 27.393 -5.752) 27.990 3.596 ( 0.000 27.393 5.752) 27.990 4.057 ( 0.000 8.967 -9.383) 12.979 4.057 ( 0.000 8.967 9.383) 12.979 4.180 ( 0.000 21.534 -1.372) 21.578 4.180 ( 0.000 21.534 1.372) 21.578 4.490 ( 0.000 26.301 -5.768) 26.926 4.490 ( 0.000 26.301 5.768) 26.926 4.533 ( 0.000 4.804 -7.443) 8.858 4.533 ( 0.000 4.804 7.443) 8.858 4.906 ( 0.000 -1.115 -12.756) 12.805 4.906 ( 0.000 -1.115 12.756) 12.805 5.009 ( 0.000 3.507 -9.834) 10.441 5.009 ( 0.000 3.507 9.834) 10.441 5.538 ( 0.000 0.988 -11.341) 11.384 5.538 ( 0.000 0.988 11.341) 11.384 6.667 ( 0.000 -7.760 -6.957) 10.422 6.667 ( 0.000 -7.760 6.957) 10.422 6.814 ( 0.000 1.330 -0.248) 1.353 6.814 ( 0.000 1.330 0.248) 1.353 7.127 ( 0.000 -7.244 -0.885) 7.298 7.127 ( 0.000 -7.244 0.885) 7.298 7.418 ( 0.000 -12.341 -3.958) 12.960 7.418 ( 0.000 -12.341 3.958) 12.960 8.224 ( 0.000 -6.086 -9.162) 10.999 8.224 ( 0.000 -6.086 9.162) 10.999 8.532 ( 0.000 5.569 -3.749) 6.714 8.532 ( 0.000 5.569 3.749) 6.714 8.844 ( 0.000 1.629 -4.919) 5.182 8.844 ( 0.000 1.629 4.919) 5.182 9.062 ( 0.000 12.281 -5.535) 13.471 9.062 ( 0.000 12.281 5.535) 13.471 9.744 ( 0.000 27.157 -2.314) 27.255 9.744 ( 0.000 27.157 2.314) 27.255 10.033 ( 0.000 15.600 -0.723) 15.616 10.033 ( 0.000 15.600 0.723) 15.616 10.195 ( 0.000 6.863 -14.010) 15.601 10.195 ( 0.000 6.863 14.010) 15.601 10.636 ( 0.000 5.245 -1.764) 5.533 10.636 ( 0.000 5.245 1.764) 5.533 10.968 ( 0.000 -4.347 -2.018) 4.792 10.968 ( 0.000 -4.347 2.018) 4.792 11.365 ( 0.000 7.635 -2.187) 7.942 11.365 ( 0.000 7.635 2.187) 7.942 11.828 ( 0.000 -0.637 -8.791) 8.814 11.828 ( 0.000 -0.637 8.791) 8.814 12.448 ( 0.000 5.477 -8.816) 10.379 12.448 ( 0.000 5.477 8.816) 10.379 13.086 ( 0.000 -18.489 -3.722) 18.860 13.086 ( 0.000 -18.489 3.722) 18.860 13.610 ( 0.000 0.110 -5.436) 5.437 13.610 ( 0.000 0.110 5.436) 5.437 13.913 ( 0.000 -4.183 -1.145) 4.337 13.913 ( 0.000 -4.183 1.145) 4.337 14.211 ( 0.000 -3.717 -7.090) 8.006 14.211 ( 0.000 -3.717 7.090) 8.006 14.516 ( 0.000 -11.000 -3.867) 11.660 14.516 ( 0.000 -11.000 3.867) 11.660 14.590 ( 0.000 -2.370 -1.290) 2.698 14.590 ( 0.000 -2.370 1.290) 2.698 16.854 ( 0.000 9.854 -5.453) 11.263 16.854 ( 0.000 9.854 5.453) 11.263 17.294 ( 0.000 3.554 -0.276) 3.564 17.294 ( 0.000 3.554 0.276) 3.564 18.671 ( 0.000 -14.365 -6.004) 15.569 18.671 ( 0.000 -14.365 6.004) 15.569 19.123 ( 0.000 -23.847 -4.931) 24.352 19.123 ( 0.000 -23.847 4.931) 24.352 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 6.323 11.711 -11.000) 17.266 1.539 ( 6.323 11.711 11.000) 17.266 1.891 ( 5.454 15.718 -14.688) 22.194 1.891 ( 5.454 15.718 14.688) 22.194 2.332 ( -1.756 6.840 -10.696) 12.817 2.332 ( -1.756 6.840 10.696) 12.817 2.588 ( -6.717 7.127 -4.447) 10.755 2.588 ( -6.717 7.127 4.447) 10.755 2.808 ( 1.158 10.138 -7.165) 12.468 2.808 ( 1.158 10.138 7.165) 12.468 3.081 ( 4.791 21.622 -8.758) 23.815 3.081 ( 4.791 21.622 8.758) 23.815 3.200 ( -1.040 20.461 -6.251) 21.420 3.200 ( -1.040 20.461 6.251) 21.420 3.356 ( 1.053 24.294 -0.755) 24.328 3.356 ( 1.053 24.294 0.755) 24.328 3.610 ( 1.955 26.991 -2.286) 27.158 3.610 ( 1.955 26.991 2.286) 27.158 4.025 ( -5.396 9.219 -6.572) 12.542 4.025 ( -5.396 9.219 6.572) 12.542 4.174 ( 0.865 13.224 -4.952) 14.147 4.174 ( 0.865 13.224 4.952) 14.147 4.361 ( -3.149 24.987 -4.782) 25.634 4.361 ( -3.149 24.987 4.782) 25.634 4.639 ( 0.273 17.557 -6.059) 18.575 4.639 ( 0.273 17.557 6.059) 18.575 4.853 ( -1.517 2.115 -8.882) 9.255 4.853 ( -1.517 2.115 8.882) 9.255 5.110 ( 6.399 -0.987 -2.613) 6.982 5.110 ( 6.399 -0.987 2.613) 6.982 5.508 ( -2.680 -0.362 -9.096) 9.489 5.508 ( -2.680 -0.362 9.096) 9.489 6.681 ( 1.880 -6.511 -5.113) 8.490 6.681 ( 1.880 -6.511 5.113) 8.490 6.823 ( 0.519 -0.920 -0.451) 1.149 6.823 ( 0.519 -0.920 0.451) 1.149 7.106 ( -1.147 -5.896 -0.834) 6.064 7.106 ( -1.147 -5.896 0.834) 6.064 7.473 ( 3.826 -12.525 -5.225) 14.100 7.473 ( 3.826 -12.525 5.225) 14.100 8.293 ( 5.428 -4.571 -6.049) 9.324 8.293 ( 5.428 -4.571 6.049) 9.324 8.553 ( 2.425 3.329 -4.606) 6.179 8.553 ( 2.425 3.329 4.606) 6.179 8.790 ( -4.091 6.947 -3.052) 8.621 8.790 ( -4.091 6.947 3.052) 8.621 9.028 ( -3.935 9.833 -9.167) 14.008 9.028 ( -3.935 9.833 9.167) 14.008 9.751 ( 0.864 25.614 -2.030) 25.709 9.751 ( 0.864 25.614 2.030) 25.709 9.970 ( -4.078 13.633 -0.381) 14.235 9.970 ( -4.078 13.633 0.381) 14.235 10.308 ( 8.248 7.468 -9.808) 14.832 10.308 ( 8.248 7.468 9.808) 14.832 10.686 ( 3.400 6.537 -5.128) 8.977 10.686 ( 3.400 6.537 5.128) 8.977 10.952 ( 0.539 -4.331 -2.383) 4.972 10.952 ( 0.539 -4.331 2.383) 4.972 11.355 ( -0.924 6.763 -3.441) 7.644 11.355 ( -0.924 6.763 3.441) 7.644 11.862 ( 0.924 -1.265 -7.194) 7.362 11.862 ( 0.924 -1.265 7.194) 7.362 12.363 ( -6.023 4.541 -5.862) 9.553 12.363 ( -6.023 4.541 5.862) 9.553 13.087 ( -0.082 -14.741 -4.069) 15.292 13.087 ( -0.082 -14.741 4.069) 15.292 13.540 ( -8.400 -1.163 -8.356) 11.906 13.540 ( -8.400 -1.163 8.356) 11.906 13.856 ( -1.512 -2.683 -6.054) 6.792 13.856 ( -1.512 -2.683 6.054) 6.792 14.189 ( -5.435 -3.268 -5.128) 8.156 14.189 ( -5.435 -3.268 5.128) 8.156 14.419 ( 1.137 -8.349 -3.109) 8.981 14.419 ( 1.137 -8.349 3.109) 8.981 14.715 ( 4.283 -5.224 -3.484) 7.601 14.715 ( 4.283 -5.224 3.484) 7.601 16.913 ( 4.788 7.428 -4.488) 9.912 16.913 ( 4.788 7.428 4.488) 9.912 17.331 ( 2.974 3.339 -1.897) 4.857 17.331 ( 2.974 3.339 1.897) 4.857 18.673 ( 0.162 -14.741 -5.561) 15.756 18.673 ( 0.162 -14.741 5.561) 15.756 19.056 ( -5.483 -21.603 -4.862) 22.812 19.056 ( -5.483 -21.603 4.862) 22.812 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 14.076 7.880 -6.027) 17.221 1.766 ( 14.076 7.880 6.027) 17.221 1.996 ( 0.262 9.327 -13.574) 16.472 1.996 ( 0.262 9.327 13.574) 16.472 2.224 ( -6.305 8.089 -6.480) 12.132 2.224 ( -6.305 8.089 6.480) 12.132 2.400 ( -7.022 11.727 -5.942) 14.904 2.400 ( -7.022 11.727 5.942) 14.904 2.891 ( 4.013 16.774 -4.420) 17.804 2.891 ( 4.013 16.774 4.420) 17.804 3.113 ( -2.511 23.769 -2.295) 24.012 3.113 ( -2.511 23.769 2.295) 24.012 3.184 ( 1.850 14.784 -0.678) 14.915 3.184 ( 1.850 14.784 0.678) 14.915 3.406 ( 1.340 18.047 -1.981) 18.205 3.406 ( 1.340 18.047 1.981) 18.205 3.680 ( 3.389 23.863 -2.572) 24.240 3.680 ( 3.389 23.863 2.572) 24.240 3.897 ( -4.297 6.763 -2.657) 8.442 3.897 ( -4.297 6.763 2.657) 8.442 4.205 ( 1.447 11.492 -4.843) 12.554 4.205 ( 1.447 11.492 4.843) 12.554 4.357 ( 1.409 30.331 -1.929) 30.425 4.357 ( 1.409 30.331 1.929) 30.425 4.580 ( -3.413 22.069 -3.878) 22.666 4.580 ( -3.413 22.069 3.878) 22.666 4.812 ( -2.416 2.824 -4.587) 5.904 4.812 ( -2.416 2.824 4.587) 5.904 5.232 ( 4.318 -0.966 -0.102) 4.426 5.232 ( 4.318 -0.966 0.102) 4.426 5.446 ( -2.504 -2.709 -3.657) 5.195 5.446 ( -2.504 -2.709 3.657) 5.195 6.743 ( 3.019 -5.305 -2.104) 6.457 6.743 ( 3.019 -5.305 2.104) 6.457 6.822 ( -0.731 -4.459 -0.471) 4.543 6.822 ( -0.731 -4.459 0.471) 4.543 7.096 ( -0.036 -3.903 -0.855) 3.996 7.096 ( -0.036 -3.903 0.855) 3.996 7.530 ( 1.307 -11.988 -2.806) 12.381 7.530 ( 1.307 -11.988 2.806) 12.381 8.381 ( 2.114 -2.053 -4.274) 5.191 8.381 ( 2.114 -2.053 4.274) 5.191 8.634 ( 2.887 0.082 -7.155) 7.716 8.634 ( 2.887 0.082 7.155) 7.716 8.741 ( 2.214 12.458 -0.700) 12.672 8.741 ( 2.214 12.458 0.700) 12.672 8.899 ( -7.641 7.869 -7.898) 13.516 8.899 ( -7.641 7.869 7.898) 13.516 9.785 ( 2.149 21.761 -1.164) 21.897 9.785 ( 2.149 21.761 1.164) 21.897 9.886 ( -3.590 16.936 -0.209) 17.314 9.886 ( -3.590 16.936 0.209) 17.314 10.479 ( 6.895 3.600 -5.130) 9.318 10.479 ( 6.895 3.600 5.130) 9.318 10.673 ( -3.966 3.503 -4.402) 6.883 10.673 ( -3.966 3.503 4.402) 6.883 11.110 ( 12.891 0.878 -5.835) 14.178 11.110 ( 12.891 0.878 5.835) 14.178 11.320 ( -3.364 4.810 -7.399) 9.444 11.320 ( -3.364 4.810 7.399) 9.444 11.752 ( -9.447 0.591 -2.444) 9.776 11.752 ( -9.447 0.591 2.444) 9.776 12.320 ( 1.581 0.786 -2.301) 2.900 12.320 ( 1.581 0.786 2.301) 2.900 13.084 ( -0.046 -3.484 -3.614) 5.020 13.084 ( -0.046 -3.484 3.614) 5.020 13.323 ( -8.197 -6.063 -5.305) 11.493 13.323 ( -8.197 -6.063 5.305) 11.493 13.907 ( 5.047 -3.230 -7.412) 9.531 13.907 ( 5.047 -3.230 7.412) 9.531 14.044 ( -6.864 -5.217 -7.048) 11.136 14.044 ( -6.864 -5.217 7.048) 11.136 14.495 ( 3.204 -6.612 -1.359) 7.472 14.495 ( 3.204 -6.612 1.359) 7.472 14.752 ( 0.082 -4.918 -1.816) 5.243 14.752 ( 0.082 -4.918 1.816) 5.243 17.005 ( 2.917 4.326 -1.730) 5.497 17.005 ( 2.917 4.326 1.730) 5.497 17.385 ( 1.571 3.067 -1.263) 3.670 17.385 ( 1.571 3.067 1.263) 3.670 18.676 ( 0.129 -15.891 -2.826) 16.141 18.676 ( 0.129 -15.891 2.826) 16.141 18.950 ( -3.331 -17.856 -2.559) 18.344 18.950 ( -3.331 -17.856 2.559) 18.344 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.000 13.324 -6.313) 14.744 1.753 ( 0.000 13.324 6.313) 14.744 2.201 ( 0.000 18.099 -4.927) 18.758 2.201 ( 0.000 18.099 4.927) 18.758 2.465 ( 0.000 6.326 -5.903) 8.652 2.465 ( 0.000 6.326 5.903) 8.652 2.737 ( 0.000 5.981 -5.527) 8.144 2.737 ( 0.000 5.981 5.527) 8.144 2.871 ( 0.000 0.258 -2.855) 2.866 2.871 ( 0.000 0.258 2.855) 2.866 3.567 ( 0.000 15.103 -2.692) 15.341 3.567 ( 0.000 15.103 2.692) 15.341 3.653 ( 0.000 27.090 -7.197) 28.029 3.653 ( 0.000 27.090 7.197) 28.029 3.880 ( 0.000 22.672 -0.165) 22.672 3.880 ( 0.000 22.672 0.165) 22.672 4.123 ( 0.000 21.361 -2.257) 21.480 4.123 ( 0.000 21.361 2.257) 21.480 4.275 ( 0.000 18.873 -1.334) 18.920 4.275 ( 0.000 18.873 1.334) 18.920 4.453 ( 0.000 6.805 -0.731) 6.844 4.453 ( 0.000 6.805 0.731) 6.844 4.641 ( 0.000 1.069 -0.374) 1.132 4.641 ( 0.000 1.069 0.374) 1.132 4.817 ( 0.000 6.379 -14.641) 15.970 4.817 ( 0.000 6.379 14.641) 15.970 5.160 ( 0.000 26.466 -1.763) 26.525 5.160 ( 0.000 26.466 1.763) 26.525 5.331 ( 0.000 24.895 -1.526) 24.941 5.331 ( 0.000 24.895 1.526) 24.941 5.614 ( 0.000 9.915 -3.976) 10.682 5.614 ( 0.000 9.915 3.976) 10.682 6.513 ( 0.000 -7.595 -4.873) 9.024 6.513 ( 0.000 -7.595 4.873) 9.024 6.856 ( 0.000 2.434 -1.218) 2.721 6.856 ( 0.000 2.434 1.218) 2.721 6.980 ( 0.000 -7.006 -2.098) 7.313 6.980 ( 0.000 -7.006 2.098) 7.313 7.211 ( 0.000 -7.908 -1.024) 7.974 7.211 ( 0.000 -7.908 1.024) 7.974 8.099 ( 0.000 -4.876 -7.909) 9.291 8.099 ( 0.000 -4.876 7.909) 9.291 8.594 ( 0.000 1.651 -5.112) 5.372 8.594 ( 0.000 1.651 5.112) 5.372 8.824 ( 0.000 -0.576 -5.965) 5.993 8.824 ( 0.000 -0.576 5.965) 5.993 9.314 ( 0.000 8.676 -5.472) 10.257 9.314 ( 0.000 8.676 5.472) 10.257 10.197 ( 0.000 10.922 -0.683) 10.944 10.197 ( 0.000 10.922 0.683) 10.944 10.284 ( 0.000 14.532 -7.581) 16.390 10.284 ( 0.000 14.532 7.581) 16.390 10.404 ( 0.000 11.427 -11.868) 16.475 10.404 ( 0.000 11.427 11.868) 16.475 10.798 ( 0.000 10.335 -1.843) 10.498 10.798 ( 0.000 10.335 1.843) 10.498 10.895 ( 0.000 -2.479 -2.657) 3.633 10.895 ( 0.000 -2.479 2.657) 3.633 11.522 ( 0.000 7.077 -6.839) 9.842 11.522 ( 0.000 7.077 6.839) 9.842 11.854 ( 0.000 4.763 -3.703) 6.033 11.854 ( 0.000 4.763 3.703) 6.033 12.525 ( 0.000 2.267 -6.015) 6.428 12.525 ( 0.000 2.267 6.015) 6.428 12.834 ( 0.000 -5.352 -3.550) 6.422 12.834 ( 0.000 -5.352 3.550) 6.422 13.556 ( 0.000 -7.205 -9.538) 11.953 13.556 ( 0.000 -7.205 9.538) 11.953 13.835 ( 0.000 -3.491 -10.184) 10.766 13.835 ( 0.000 -3.491 10.184) 10.766 14.119 ( 0.000 -5.613 -8.111) 9.864 14.119 ( 0.000 -5.613 8.111) 9.864 14.286 ( 0.000 -11.045 -5.087) 12.160 14.286 ( 0.000 -11.045 5.087) 12.160 14.535 ( 0.000 -1.965 -0.203) 1.976 14.535 ( 0.000 -1.965 0.203) 1.976 16.963 ( 0.000 1.938 -4.356) 4.768 16.963 ( 0.000 1.938 4.356) 4.768 17.369 ( 0.000 3.454 -2.329) 4.167 17.369 ( 0.000 3.454 2.329) 4.167 18.347 ( 0.000 -16.995 -3.972) 17.453 18.347 ( 0.000 -16.995 3.972) 17.453 18.635 ( 0.000 -23.785 -4.854) 24.275 18.635 ( 0.000 -23.785 4.854) 24.275 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 4.230 12.752 -4.547) 14.184 1.791 ( 4.230 12.752 4.547) 14.184 2.215 ( 1.273 15.909 -8.158) 17.924 2.215 ( 1.273 15.909 8.158) 17.924 2.482 ( 0.360 7.801 -5.414) 9.502 2.482 ( 0.360 7.801 5.414) 9.502 2.695 ( -6.634 5.158 -4.748) 9.652 2.695 ( -6.634 5.158 4.748) 9.652 2.893 ( 5.765 2.082 -9.127) 10.994 2.893 ( 5.765 2.082 9.127) 10.994 3.565 ( -0.548 10.959 -1.969) 11.148 3.565 ( -0.548 10.959 1.969) 11.148 3.664 ( 0.880 28.712 -3.810) 28.977 3.664 ( 0.880 28.712 3.810) 28.977 3.807 ( -6.663 18.649 -2.543) 19.966 3.807 ( -6.663 18.649 2.543) 19.966 4.121 ( -0.197 20.571 -1.526) 20.628 4.121 ( -0.197 20.571 1.526) 20.628 4.252 ( -2.851 18.568 -3.473) 19.104 4.252 ( -2.851 18.568 3.473) 19.104 4.391 ( -1.325 11.841 -2.970) 12.280 4.391 ( -1.325 11.841 2.970) 12.280 4.680 ( 2.697 2.676 -5.928) 7.041 4.680 ( 2.697 2.676 5.928) 7.041 4.909 ( 5.679 8.104 -5.105) 11.135 4.909 ( 5.679 8.104 5.105) 11.135 5.201 ( 3.706 21.676 -2.643) 22.149 5.201 ( 3.706 21.676 2.643) 22.149 5.308 ( -2.108 26.249 -2.892) 26.492 5.308 ( -2.108 26.249 2.892) 26.492 5.574 ( -3.489 11.039 -1.428) 11.665 5.574 ( -3.489 11.039 1.428) 11.665 6.538 ( 2.701 -7.469 -3.008) 8.493 6.538 ( 2.701 -7.469 3.008) 8.493 6.822 ( -2.541 0.700 -1.235) 2.911 6.822 ( -2.541 0.700 1.235) 2.911 7.010 ( 2.018 -3.931 -0.688) 4.472 7.010 ( 2.018 -3.931 0.688) 4.472 7.239 ( 2.157 -10.203 -3.356) 10.955 7.239 ( 2.157 -10.203 3.356) 10.955 8.190 ( 7.831 -4.189 -5.711) 10.559 8.190 ( 7.831 -4.189 5.711) 10.559 8.570 ( -1.706 0.472 -6.146) 6.396 8.570 ( -1.706 0.472 6.146) 6.396 8.857 ( 2.339 1.794 -6.047) 6.727 8.857 ( 2.339 1.794 6.047) 6.727 9.245 ( -6.230 7.552 -5.338) 11.151 9.245 ( -6.230 7.552 5.338) 11.151 10.152 ( -1.600 8.552 -0.653) 8.724 10.152 ( -1.600 8.552 0.653) 8.724 10.240 ( -2.330 18.046 -3.735) 18.575 10.240 ( -2.330 18.046 3.735) 18.575 10.535 ( 6.561 10.251 -5.783) 13.475 10.535 ( 6.561 10.251 5.783) 13.475 10.842 ( 1.735 9.353 -6.136) 11.320 10.842 ( 1.735 9.353 6.136) 11.320 10.893 ( 3.716 -0.886 -4.436) 5.854 10.893 ( 3.716 -0.886 4.436) 5.854 11.490 ( -2.934 5.852 -6.437) 9.181 11.490 ( -2.934 5.852 6.437) 9.181 11.867 ( -0.066 3.496 -2.013) 4.035 11.867 ( -0.066 3.496 2.013) 4.035 12.431 ( -7.006 2.174 -3.869) 8.293 12.431 ( -7.006 2.174 3.869) 8.293 12.884 ( 4.423 -4.205 -3.551) 7.061 12.884 ( 4.423 -4.205 3.551) 7.061 13.476 ( -7.435 -5.674 -9.422) 13.275 13.476 ( -7.435 -5.674 9.422) 13.275 13.839 ( -0.157 -0.389 -11.714) 11.722 13.839 ( -0.157 -0.389 11.714) 11.722 14.114 ( -5.133 -5.418 -5.991) 9.571 14.114 ( -5.133 -5.418 5.991) 9.571 14.215 ( 1.381 -9.955 -0.558) 10.065 14.215 ( 1.381 -9.955 0.558) 10.065 14.587 ( 2.358 -6.292 -2.433) 7.146 14.587 ( 2.358 -6.292 2.433) 7.146 16.997 ( 2.886 1.525 -3.350) 4.677 16.997 ( 2.886 1.525 3.350) 4.677 17.397 ( 2.282 2.868 -2.543) 4.461 17.397 ( 2.282 2.868 2.543) 4.461 18.343 ( -0.485 -17.200 -3.538) 17.566 18.343 ( -0.485 -17.200 3.538) 17.566 18.603 ( -2.512 -22.485 -4.051) 22.984 18.603 ( -2.512 -22.485 4.051) 22.984 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 9.620 9.390 -1.890) 13.575 1.943 ( 9.620 9.390 1.890) 13.575 2.191 ( -6.211 9.566 -6.435) 13.096 2.191 ( -6.211 9.566 6.435) 13.096 2.423 ( -2.850 12.182 -3.796) 13.074 2.423 ( -2.850 12.182 3.796) 13.074 2.621 ( -0.072 10.296 -2.693) 10.643 2.621 ( -0.072 10.296 2.693) 10.643 3.024 ( 4.379 1.184 -4.845) 6.638 3.024 ( 4.379 1.184 4.845) 6.638 3.550 ( -0.521 8.482 -0.512) 8.514 3.550 ( -0.521 8.482 0.512) 8.514 3.631 ( -4.380 13.921 -4.066) 15.150 3.631 ( -4.380 13.921 4.066) 15.150 3.707 ( -0.574 27.694 -1.870) 27.763 3.707 ( -0.574 27.694 1.870) 27.763 4.123 ( 0.571 18.443 -1.437) 18.508 4.123 ( 0.571 18.443 1.437) 18.508 4.185 ( -2.650 20.057 -1.462) 20.284 4.185 ( -2.650 20.057 1.462) 20.284 4.410 ( 1.568 13.640 -3.225) 14.104 4.410 ( 1.568 13.640 3.225) 14.104 4.732 ( 1.573 5.632 -2.584) 6.393 4.732 ( 1.573 5.632 2.584) 6.393 4.999 ( 3.239 14.154 -1.863) 14.639 4.999 ( 3.239 14.154 1.863) 14.639 5.192 ( -4.306 20.407 -1.441) 20.906 5.192 ( -4.306 20.407 1.441) 20.906 5.347 ( 5.530 21.130 -4.691) 22.340 5.347 ( 5.530 21.130 4.691) 22.340 5.487 ( -4.491 13.237 -2.423) 14.186 5.487 ( -4.491 13.237 2.423) 14.186 6.618 ( 3.930 -6.814 -1.163) 7.951 6.618 ( 3.930 -6.814 1.163) 7.951 6.761 ( -2.991 -1.354 -1.656) 3.677 6.761 ( -2.991 -1.354 1.656) 3.677 7.046 ( 1.093 -1.264 -0.420) 1.723 7.046 ( 1.093 -1.264 0.420) 1.723 7.276 ( 0.978 -12.872 -2.046) 13.070 7.276 ( 0.978 -12.872 2.046) 13.070 8.352 ( 5.258 -0.201 -4.002) 6.611 8.352 ( 5.258 -0.201 4.002) 6.611 8.554 ( 0.661 -3.477 -8.497) 9.205 8.554 ( 0.661 -3.477 8.497) 9.205 8.883 ( -0.362 3.248 -5.643) 6.521 8.883 ( -0.362 3.248 5.643) 6.521 9.109 ( -4.585 7.832 -1.921) 9.276 9.109 ( -4.585 7.832 1.921) 9.276 10.158 ( 1.439 11.599 -0.861) 11.720 10.158 ( 1.439 11.599 0.861) 11.720 10.198 ( -1.618 15.595 -2.416) 15.863 10.198 ( -1.618 15.595 2.416) 15.863 10.606 ( 1.135 6.381 -1.406) 6.631 10.606 ( 1.135 6.381 1.406) 6.631 10.807 ( -1.866 9.222 -3.406) 10.006 10.807 ( -1.866 9.222 3.406) 10.006 11.133 ( 14.472 1.841 -7.343) 16.332 11.133 ( 14.472 1.841 7.343) 16.332 11.395 ( -6.997 2.510 -7.253) 10.386 11.395 ( -6.997 2.510 7.253) 10.386 11.795 ( -5.452 4.940 -0.583) 7.380 11.795 ( -5.452 4.940 0.583) 7.380 12.334 ( -1.463 0.711 -0.967) 1.893 12.334 ( -1.463 0.711 0.967) 1.893 13.021 ( 9.016 -1.043 -4.323) 10.054 13.021 ( 9.016 -1.043 4.323) 10.054 13.259 ( -12.221 -1.429 -6.970) 14.142 13.259 ( -12.221 -1.429 6.970) 14.142 13.849 ( 1.378 -3.394 -7.533) 8.376 13.849 ( 1.378 -3.394 7.533) 8.376 13.987 ( -4.526 -1.339 -5.359) 7.141 13.987 ( -4.526 -1.339 5.359) 7.141 14.300 ( 3.465 -11.549 -0.550) 12.070 14.300 ( 3.465 -11.549 0.550) 12.070 14.603 ( -0.297 -8.615 -1.381) 8.730 14.603 ( -0.297 -8.615 1.381) 8.730 17.055 ( 1.873 0.765 -1.190) 2.347 17.055 ( 1.873 0.765 1.190) 2.347 17.440 ( 1.322 2.181 -1.330) 2.877 17.440 ( 1.322 2.181 1.330) 2.877 18.328 ( -0.662 -17.827 -1.569) 17.908 18.328 ( -0.662 -17.827 1.569) 17.908 18.558 ( -1.286 -20.204 -1.546) 20.303 18.558 ( -1.286 -20.204 1.546) 20.303 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 12.479 -4.467) 13.254 2.016 ( 0.000 12.479 4.467) 13.254 2.506 ( 0.000 8.402 -2.086) 8.657 2.506 ( 0.000 8.402 2.086) 8.657 2.601 ( 0.000 9.861 -0.920) 9.904 2.601 ( 0.000 9.861 0.920) 9.904 2.887 ( 0.000 1.876 -1.789) 2.592 2.887 ( 0.000 1.876 1.789) 2.592 2.908 ( 0.000 10.867 -4.236) 11.663 2.908 ( 0.000 10.867 4.236) 11.663 3.660 ( 0.000 -0.984 -1.000) 1.403 3.660 ( 0.000 -0.984 1.000) 1.403 4.041 ( 0.000 5.430 -6.094) 8.162 4.041 ( 0.000 5.430 6.094) 8.162 4.209 ( 0.000 9.371 -0.335) 9.377 4.209 ( 0.000 9.371 0.335) 9.377 4.521 ( 0.000 1.340 -5.055) 5.229 4.521 ( 0.000 1.340 5.055) 5.229 4.533 ( 0.000 4.560 -0.273) 4.568 4.533 ( 0.000 4.560 0.273) 4.568 4.582 ( 0.000 22.570 -7.469) 23.774 4.582 ( 0.000 22.570 7.469) 23.774 4.820 ( 0.000 20.753 -1.472) 20.805 4.820 ( 0.000 20.753 1.472) 20.805 5.104 ( 0.000 20.840 -3.715) 21.169 5.104 ( 0.000 20.840 3.715) 21.169 5.445 ( 0.000 5.296 -0.048) 5.296 5.445 ( 0.000 5.296 0.048) 5.296 5.897 ( 0.000 29.245 -4.285) 29.557 5.897 ( 0.000 29.245 4.285) 29.557 6.053 ( 0.000 26.540 -0.852) 26.554 6.053 ( 0.000 26.540 0.852) 26.554 6.365 ( 0.000 -6.280 -3.497) 7.188 6.365 ( 0.000 -6.280 3.497) 7.188 6.832 ( 0.000 -5.216 -3.887) 6.505 6.832 ( 0.000 -5.216 3.887) 6.505 6.941 ( 0.000 4.346 -2.210) 4.876 6.941 ( 0.000 4.346 2.210) 4.876 7.088 ( 0.000 -4.983 -1.794) 5.296 7.088 ( 0.000 -4.983 1.794) 5.296 8.072 ( 0.000 2.878 -5.527) 6.231 8.072 ( 0.000 2.878 5.527) 6.231 8.650 ( 0.000 4.699 -3.272) 5.726 8.650 ( 0.000 4.699 3.272) 5.726 8.831 ( 0.000 1.028 -3.163) 3.326 8.831 ( 0.000 1.028 3.163) 3.326 9.394 ( 0.000 -0.092 -5.531) 5.531 9.394 ( 0.000 -0.092 5.531) 5.531 10.288 ( 0.000 3.511 -2.285) 4.189 10.288 ( 0.000 3.511 2.285) 4.189 10.480 ( 0.000 -1.890 -7.442) 7.678 10.480 ( 0.000 -1.890 7.442) 7.678 10.605 ( 0.000 9.331 -12.319) 15.454 10.605 ( 0.000 9.331 12.319) 15.454 10.861 ( 0.000 1.235 -0.808) 1.476 10.861 ( 0.000 1.235 0.808) 1.476 11.054 ( 0.000 13.198 -3.700) 13.706 11.054 ( 0.000 13.198 3.700) 13.706 11.658 ( 0.000 6.534 -8.037) 10.358 11.658 ( 0.000 6.534 8.037) 10.358 12.012 ( 0.000 8.885 -1.279) 8.977 12.012 ( 0.000 8.885 1.279) 8.977 12.546 ( 0.000 0.301 -0.544) 0.622 12.546 ( 0.000 0.301 0.544) 0.622 12.869 ( 0.000 7.551 -4.756) 8.924 12.869 ( 0.000 7.551 4.756) 8.924 13.307 ( 0.000 -16.004 -8.831) 18.279 13.307 ( 0.000 -16.004 8.831) 18.279 13.762 ( 0.000 -4.745 -4.574) 6.591 13.762 ( 0.000 -4.745 4.574) 6.591 13.975 ( 0.000 -9.374 -3.204) 9.907 13.975 ( 0.000 -9.374 3.204) 9.907 14.085 ( 0.000 -7.386 -3.046) 7.989 14.085 ( 0.000 -7.386 3.046) 7.989 14.545 ( 0.000 2.832 -0.589) 2.893 14.545 ( 0.000 2.832 0.589) 2.893 16.969 ( 0.000 -0.606 -4.633) 4.672 16.969 ( 0.000 -0.606 4.633) 4.672 17.424 ( 0.000 1.830 -2.721) 3.279 17.424 ( 0.000 1.830 2.721) 3.279 18.012 ( 0.000 -15.491 -2.382) 15.673 18.012 ( 0.000 -15.491 2.382) 15.673 18.178 ( 0.000 -20.927 -4.561) 21.418 18.178 ( 0.000 -20.927 4.561) 21.418 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 2.840 11.988 -2.781) 12.630 2.043 ( 2.840 11.988 2.781) 12.630 2.486 ( -2.601 9.298 -4.187) 10.524 2.486 ( -2.601 9.298 4.187) 10.524 2.645 ( 3.688 8.275 -2.422) 9.378 2.645 ( 3.688 8.275 2.422) 9.378 2.818 ( -4.089 6.992 -1.649) 8.266 2.818 ( -4.089 6.992 1.649) 8.266 2.970 ( 4.469 6.784 -6.574) 10.451 2.970 ( 4.469 6.784 6.574) 10.451 3.621 ( -3.383 -2.259 -2.439) 4.743 3.621 ( -3.383 -2.259 2.439) 4.743 3.956 ( -7.558 3.054 -2.365) 8.488 3.956 ( -7.558 3.054 2.365) 8.488 4.186 ( -0.947 12.592 -2.078) 12.797 4.186 ( -0.947 12.592 2.078) 12.797 4.526 ( -0.433 9.507 -1.080) 9.578 4.526 ( -0.433 9.507 1.080) 9.578 4.554 ( 1.027 9.348 -3.369) 9.989 4.554 ( 1.027 9.348 3.369) 9.989 4.612 ( 2.735 15.776 -6.868) 17.422 4.612 ( 2.735 15.776 6.868) 17.422 4.832 ( 1.204 15.614 -2.182) 15.812 4.832 ( 1.204 15.614 2.182) 15.812 5.128 ( 2.800 17.331 -3.070) 17.822 5.128 ( 2.800 17.331 3.071) 17.822 5.450 ( -0.420 7.550 -1.192) 7.655 5.450 ( -0.420 7.550 1.192) 7.655 5.894 ( -0.080 27.790 -3.630) 28.026 5.894 ( -0.080 27.790 3.630) 28.026 6.052 ( -0.182 28.381 -1.695) 28.432 6.052 ( -0.182 28.381 1.695) 28.432 6.397 ( 3.264 -5.430 -2.472) 6.801 6.397 ( 3.264 -5.430 2.472) 6.801 6.831 ( -1.264 -1.876 -4.306) 4.864 6.831 ( -1.264 -1.876 4.306) 4.864 6.946 ( 1.405 -0.127 -2.314) 2.710 6.946 ( 1.405 -0.127 2.314) 2.710 7.085 ( -0.457 -5.175 -1.657) 5.453 7.085 ( -0.457 -5.175 1.657) 5.453 8.167 ( 8.589 2.698 -4.742) 10.176 8.167 ( 8.589 2.698 4.742) 10.176 8.625 ( -2.135 5.359 -6.913) 9.003 8.625 ( -2.135 5.359 6.913) 9.003 8.880 ( 3.538 0.663 -6.766) 7.664 8.880 ( 3.538 0.663 6.766) 7.664 9.317 ( -6.515 0.479 -4.201) 7.767 9.317 ( -6.515 0.479 4.201) 7.767 10.278 ( 0.187 5.028 -3.732) 6.264 10.278 ( 0.187 5.028 3.732) 6.264 10.446 ( -1.844 0.476 -4.644) 5.019 10.446 ( -1.844 0.476 4.644) 5.019 10.678 ( 3.120 4.929 -9.483) 11.133 10.678 ( 3.120 4.929 9.483) 11.133 10.896 ( 4.324 2.460 -3.272) 5.954 10.896 ( 4.324 2.460 3.272) 5.954 11.080 ( 2.435 12.170 -3.744) 12.964 11.080 ( 2.435 12.170 3.744) 12.964 11.595 ( -5.543 4.853 -6.754) 9.995 11.595 ( -5.543 4.853 6.754) 9.995 12.009 ( -0.872 8.855 -0.272) 8.902 12.009 ( -0.872 8.855 0.272) 8.902 12.454 ( -7.059 0.337 -0.465) 7.082 12.454 ( -7.059 0.337 0.465) 7.082 12.920 ( 4.785 6.813 -4.737) 9.579 12.920 ( 4.785 6.813 4.737) 9.579 13.293 ( -1.634 -12.369 -8.737) 15.232 13.293 ( -1.634 -12.369 8.737) 15.232 13.797 ( 1.079 -4.711 -4.442) 6.564 13.797 ( 1.079 -4.711 4.442) 6.564 13.948 ( -1.451 -8.915 -3.193) 9.580 13.948 ( -1.451 -8.915 3.193) 9.580 14.068 ( -0.688 -5.380 -4.090) 6.793 14.068 ( -0.688 -5.380 4.090) 6.793 14.510 ( -2.928 -0.818 -3.675) 4.770 14.510 ( -2.928 -0.818 3.675) 4.770 17.001 ( 2.650 -0.507 -3.568) 4.473 17.001 ( 2.650 -0.507 3.568) 4.473 17.440 ( 1.332 1.158 -2.756) 3.273 17.440 ( 1.332 1.158 2.756) 3.273 18.007 ( -0.704 -15.324 -1.898) 15.457 18.007 ( -0.704 -15.324 1.898) 15.457 18.166 ( -0.787 -20.270 -3.434) 20.574 18.166 ( -0.787 -20.270 3.434) 20.574 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 5.398 9.550 -0.371) 10.976 2.136 ( 5.398 9.550 0.371) 10.976 2.374 ( -6.776 8.436 -1.866) 10.980 2.374 ( -6.776 8.436 1.866) 10.980 2.694 ( 0.366 12.928 -1.621) 13.035 2.694 ( 0.366 12.928 1.621) 13.035 2.822 ( 3.696 9.594 -1.861) 10.448 2.822 ( 3.696 9.594 1.861) 10.448 3.041 ( 1.401 2.019 -4.044) 4.733 3.041 ( 1.401 2.019 4.044) 4.733 3.534 ( -3.718 -4.182 -3.606) 6.657 3.534 ( -3.718 -4.182 3.606) 6.657 3.828 ( -3.091 4.355 -1.412) 5.524 3.828 ( -3.091 4.355 1.412) 5.524 4.164 ( -0.965 11.606 -0.932) 11.683 4.164 ( -0.965 11.606 0.932) 11.683 4.512 ( 0.025 16.357 -2.580) 16.559 4.512 ( 0.025 16.357 2.580) 16.559 4.543 ( -1.639 15.004 -2.525) 15.303 4.543 ( -1.639 15.004 2.525) 15.303 4.680 ( 2.580 13.357 -3.146) 13.963 4.680 ( 2.580 13.357 3.146) 13.963 4.857 ( 0.716 7.336 -0.120) 7.372 4.857 ( 0.716 7.336 0.120) 7.372 5.215 ( 4.405 13.441 -2.391) 14.345 5.215 ( 4.405 13.441 2.391) 14.345 5.406 ( -3.151 10.782 -2.579) 11.526 5.406 ( -3.151 10.782 2.579) 11.526 5.897 ( 0.217 25.382 -1.556) 25.430 5.897 ( 0.217 25.382 1.556) 25.430 6.046 ( -0.218 31.882 -1.267) 31.908 6.046 ( -0.218 31.882 1.267) 31.908 6.485 ( 3.821 -5.658 -1.676) 7.030 6.485 ( 3.821 -5.658 1.676) 7.030 6.772 ( -3.079 2.068 -2.497) 4.472 6.772 ( -3.079 2.068 2.497) 4.472 7.003 ( 3.216 -5.765 -2.002) 6.899 7.003 ( 3.216 -5.765 2.002) 6.899 7.061 ( -1.885 -4.676 -0.966) 5.134 7.061 ( -1.885 -4.676 0.966) 5.134 8.382 ( 10.225 3.555 -3.294) 11.316 8.382 ( 10.225 3.555 3.294) 11.316 8.560 ( -4.435 4.322 -7.086) 9.410 8.560 ( -4.435 4.322 7.086) 9.410 8.918 ( -0.514 0.876 -6.176) 6.259 8.918 ( -0.514 0.876 6.176) 6.259 9.196 ( -3.211 1.777 -1.106) 3.833 9.196 ( -3.211 1.777 1.106) 3.833 10.321 ( 3.596 4.912 -4.152) 7.369 10.321 ( 3.596 4.912 4.152) 7.369 10.400 ( -3.055 3.408 -4.792) 6.626 10.400 ( -3.055 3.408 4.792) 6.626 10.710 ( 0.904 4.409 -4.871) 6.632 10.710 ( 0.904 4.409 4.871) 6.632 10.943 ( -0.810 2.885 -6.432) 7.096 10.943 ( -0.810 2.885 6.432) 7.096 11.221 ( 10.905 7.131 -6.412) 14.522 11.221 ( 10.905 7.131 6.412) 14.522 11.446 ( -8.706 3.346 -5.502) 10.829 11.446 ( -8.706 3.346 5.502) 10.829 11.955 ( -3.295 9.585 -1.176) 10.203 11.955 ( -3.295 9.585 1.176) 10.203 12.346 ( -2.264 0.121 -0.135) 2.272 12.346 ( -2.264 0.121 0.135) 2.272 13.058 ( 7.957 3.854 -5.009) 10.161 13.058 ( 7.957 3.854 5.009) 10.161 13.217 ( -6.060 -3.681 -7.449) 10.285 13.217 ( -6.060 -3.681 7.449) 10.285 13.757 ( -2.572 -6.046 -0.920) 6.635 13.757 ( -2.572 -6.046 0.920) 6.635 13.944 ( 0.079 -3.086 -3.371) 4.571 13.944 ( 0.079 -3.086 3.371) 4.571 14.088 ( 1.894 -7.751 -3.141) 8.575 14.088 ( 1.894 -7.751 3.141) 8.575 14.448 ( -2.188 -5.943 -2.116) 6.677 14.448 ( -2.188 -5.943 2.116) 6.677 17.052 ( 1.596 -0.529 -1.260) 2.101 17.052 ( 1.596 -0.529 1.260) 2.101 17.468 ( 0.985 0.412 -1.415) 1.772 17.468 ( 0.985 0.412 1.415) 1.772 17.983 ( -1.050 -15.611 -0.786) 15.666 17.983 ( -1.050 -15.611 0.786) 15.666 18.157 ( -0.080 -18.829 -0.994) 18.855 18.157 ( -0.080 -18.829 0.994) 18.855 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 0.000 10.619 -3.301) 11.120 2.252 ( 0.000 10.619 3.301) 11.120 2.588 ( 0.000 2.803 -2.078) 3.489 2.588 ( 0.000 2.803 2.078) 3.489 2.780 ( 0.000 4.592 -4.212) 6.231 2.780 ( 0.000 4.592 4.212) 6.231 2.982 ( 0.000 7.728 -3.348) 8.422 2.982 ( 0.000 7.728 3.348) 8.422 3.156 ( 0.000 12.982 -4.259) 13.663 3.156 ( 0.000 12.982 4.259) 13.663 3.598 ( 0.000 -4.147 -2.385) 4.784 3.598 ( 0.000 -4.147 2.385) 4.784 4.048 ( 0.000 -2.559 -4.292) 4.997 4.048 ( 0.000 -2.559 4.292) 4.997 4.197 ( 0.000 -6.015 -8.440) 10.364 4.197 ( 0.000 -6.015 8.440) 10.364 4.442 ( 0.000 -4.358 -0.942) 4.458 4.442 ( 0.000 -4.358 0.942) 4.458 4.630 ( 0.000 -0.149 -6.566) 6.567 4.630 ( 0.000 -0.149 6.566) 6.567 5.084 ( 0.000 23.100 -4.993) 23.634 5.084 ( 0.000 23.100 4.993) 23.634 5.208 ( 0.000 16.339 -2.129) 16.478 5.208 ( 0.000 16.339 2.129) 16.478 5.518 ( 0.000 17.790 -0.747) 17.805 5.518 ( 0.000 17.790 0.747) 17.805 5.583 ( 0.000 8.839 -0.409) 8.848 5.583 ( 0.000 8.839 0.409) 8.848 6.201 ( 0.000 -1.709 -3.769) 4.138 6.201 ( 0.000 -1.709 3.769) 4.138 6.450 ( 0.000 16.382 -4.709) 17.045 6.450 ( 0.000 16.382 4.709) 17.045 6.535 ( 0.000 19.154 -4.306) 19.632 6.535 ( 0.000 19.154 4.306) 19.632 6.780 ( 0.000 1.895 -0.674) 2.011 6.780 ( 0.000 1.895 0.674) 2.011 6.997 ( 0.000 -3.352 -2.001) 3.904 6.997 ( 0.000 -3.352 2.001) 3.904 7.064 ( 0.000 7.218 -2.062) 7.507 7.064 ( 0.000 7.218 2.062) 7.507 8.213 ( 0.000 10.362 -3.194) 10.843 8.213 ( 0.000 10.362 3.194) 10.843 8.791 ( 0.000 8.871 -1.522) 9.001 8.791 ( 0.000 8.871 1.522) 9.001 8.858 ( 0.000 1.279 -0.954) 1.595 8.858 ( 0.000 1.279 0.954) 1.595 9.345 ( 0.000 -3.792 -5.141) 6.388 9.345 ( 0.000 -3.792 5.141) 6.388 10.357 ( 0.000 -4.247 -1.196) 4.412 10.357 ( 0.000 -4.247 1.196) 4.412 10.423 ( 0.000 6.409 -10.677) 12.453 10.423 ( 0.000 6.409 10.677) 12.453 10.605 ( 0.000 -6.209 -12.360) 13.832 10.605 ( 0.000 -6.209 12.360) 13.832 10.999 ( 0.000 9.473 -1.131) 9.541 10.999 ( 0.000 9.473 1.131) 9.541 11.294 ( 0.000 10.049 -6.029) 11.719 11.294 ( 0.000 10.049 6.029) 11.719 11.754 ( 0.000 1.822 -7.614) 7.829 11.754 ( 0.000 1.822 7.614) 7.829 12.155 ( 0.000 4.684 -4.411) 6.434 12.155 ( 0.000 4.684 4.411) 6.434 12.559 ( 0.000 1.360 -6.146) 6.294 12.559 ( 0.000 1.360 6.146) 6.294 12.898 ( 0.000 -15.128 -10.203) 18.247 12.898 ( 0.000 -15.128 10.203) 18.247 13.139 ( 0.000 9.291 -1.428) 9.400 13.139 ( 0.000 9.291 1.428) 9.400 13.583 ( 0.000 -13.854 -1.161) 13.902 13.583 ( 0.000 -13.854 1.161) 13.902 13.781 ( 0.000 -7.251 -2.937) 7.823 13.781 ( 0.000 -7.251 2.937) 7.823 14.021 ( 0.000 0.062 -4.273) 4.273 14.021 ( 0.000 0.062 4.273) 4.273 14.621 ( 0.000 3.996 -1.637) 4.318 14.621 ( 0.000 3.996 1.637) 4.318 16.959 ( 0.000 -0.084 -4.850) 4.851 16.959 ( 0.000 -0.084 4.850) 4.851 17.432 ( 0.000 -1.487 -3.681) 3.970 17.432 ( 0.000 -1.487 3.681) 3.970 17.727 ( 0.000 -13.632 -2.004) 13.778 17.727 ( 0.000 -13.632 2.004) 13.778 17.825 ( 0.000 -12.037 -6.297) 13.584 17.825 ( 0.000 -12.037 6.297) 13.584 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 1.883 10.387 -2.049) 10.754 2.271 ( 1.883 10.387 2.049) 10.754 2.601 ( -0.686 3.432 -1.549) 3.828 2.601 ( -0.686 3.432 1.549) 3.828 2.766 ( 0.640 3.450 -4.451) 5.668 2.766 ( 0.640 3.450 4.451) 5.668 2.986 ( 0.691 8.693 -3.125) 9.263 2.986 ( 0.691 8.693 3.125) 9.263 3.173 ( 1.060 12.173 -3.908) 12.828 3.173 ( 1.060 12.173 3.908) 12.828 3.542 ( -4.640 -4.400 -2.158) 6.749 3.542 ( -4.640 -4.400 2.158) 6.749 3.971 ( -5.848 -0.503 -2.179) 6.261 3.971 ( -5.848 -0.503 2.179) 6.261 4.214 ( 0.702 -5.334 -7.340) 9.100 4.214 ( 0.702 -5.334 7.340) 9.100 4.481 ( 3.360 -5.257 -3.710) 7.259 4.481 ( 3.360 -5.257 3.710) 7.259 4.669 ( 2.937 -0.180 -4.629) 5.486 4.669 ( 2.937 -0.180 4.629) 5.486 5.066 ( -1.242 21.807 -2.586) 21.995 5.066 ( -1.242 21.807 2.586) 21.995 5.186 ( -2.187 17.019 -3.151) 17.446 5.186 ( -2.187 17.019 3.151) 17.446 5.486 ( -0.392 15.290 -1.459) 15.364 5.486 ( -0.392 15.290 1.459) 15.364 5.648 ( 3.183 11.408 -1.736) 11.970 5.648 ( 3.183 11.408 1.736) 11.970 6.212 ( 1.531 1.530 -2.496) 3.304 6.212 ( 1.531 1.530 2.496) 3.304 6.453 ( -0.225 12.509 -5.186) 13.544 6.453 ( -0.225 12.509 5.186) 13.544 6.565 ( 2.557 19.667 -3.002) 20.059 6.565 ( 2.557 19.667 3.002) 20.059 6.778 ( -0.254 0.980 -1.045) 1.455 6.778 ( -0.254 0.980 1.045) 1.455 7.003 ( 0.572 -2.737 -1.431) 3.142 7.003 ( 0.572 -2.737 1.431) 3.142 7.039 ( -2.102 7.412 -1.697) 7.889 7.039 ( -2.102 7.412 1.697) 7.889 8.298 ( 7.755 9.535 -3.203) 12.701 8.298 ( 7.755 9.535 3.203) 12.701 8.778 ( -1.908 8.685 -7.255) 11.476 8.778 ( -1.908 8.685 7.255) 11.476 8.895 ( 3.313 1.379 -7.287) 8.123 8.895 ( 3.313 1.379 7.287) 8.123 9.297 ( -4.057 -1.725 -3.636) 5.715 9.297 ( -4.057 -1.725 3.636) 5.715 10.356 ( 0.083 -3.000 -2.393) 3.839 10.356 ( 0.083 -3.000 2.393) 3.839 10.402 ( -1.317 3.901 -8.348) 9.308 10.402 ( -1.317 3.901 8.348) 9.308 10.658 ( 4.549 -5.311 -13.236) 14.970 10.658 ( 4.549 -5.311 13.236) 14.970 11.018 ( 0.489 7.341 -4.686) 8.723 11.018 ( 0.489 7.341 4.686) 8.723 11.300 ( 1.115 9.370 -5.617) 10.981 11.300 ( 1.115 9.370 5.617) 10.981 11.673 ( -6.439 2.383 -6.777) 9.647 11.673 ( -6.439 2.383 6.777) 9.647 12.162 ( 0.164 5.222 -3.285) 6.171 12.162 ( 0.164 5.222 3.285) 6.171 12.457 ( -8.190 0.317 -4.914) 9.556 12.457 ( -8.190 0.317 4.914) 9.556 12.954 ( 4.600 -13.567 -6.893) 15.897 12.954 ( 4.600 -13.567 6.893) 15.897 13.140 ( 0.176 5.974 -2.094) 6.332 13.140 ( 0.176 5.974 2.094) 6.332 13.624 ( 2.272 -11.062 -3.687) 11.879 13.624 ( 2.272 -11.062 3.687) 11.879 13.808 ( 3.192 -4.369 -4.440) 6.999 13.808 ( 3.192 -4.369 4.440) 6.999 14.009 ( -0.856 -0.533 -3.181) 3.337 14.009 ( -0.856 -0.533 3.181) 3.337 14.534 ( -7.561 2.277 -4.492) 9.085 14.534 ( -7.561 2.277 4.492) 9.085 16.995 ( 2.863 0.098 -3.701) 4.681 16.995 ( 2.863 0.098 3.701) 4.681 17.432 ( 0.267 -2.286 -3.493) 4.183 17.432 ( 0.267 -2.286 3.493) 4.183 17.736 ( 0.146 -12.294 -2.069) 12.467 17.736 ( 0.146 -12.294 2.069) 12.467 17.816 ( -0.312 -12.440 -5.530) 13.617 17.816 ( -0.312 -12.440 5.530) 13.617 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 2.912 9.265 -0.351) 9.718 2.327 ( 2.912 9.265 0.351) 9.718 2.525 ( -4.400 6.354 -0.870) 7.777 2.525 ( -4.400 6.354 0.870) 7.777 2.835 ( 3.491 1.049 -3.000) 4.721 2.835 ( 3.491 1.049 3.000) 4.721 3.022 ( 2.659 8.854 -1.128) 9.313 3.022 ( 2.659 8.854 1.128) 9.313 3.174 ( -1.255 11.232 -3.277) 11.768 3.174 ( -1.255 11.232 3.277) 11.768 3.435 ( -4.235 -4.632 -3.982) 7.432 3.435 ( -4.235 -4.632 3.982) 7.432 3.885 ( -1.780 2.328 -1.173) 3.157 3.885 ( -1.780 2.328 1.173) 3.157 4.199 ( -1.297 -4.330 -2.372) 5.105 4.199 ( -1.297 -4.330 2.372) 5.105 4.558 ( 2.735 -5.749 -2.367) 6.792 4.558 ( 2.735 -5.749 2.367) 6.792 4.715 ( 1.050 0.487 -2.324) 2.596 4.715 ( 1.050 0.487 2.324) 2.596 5.063 ( 1.361 19.027 -1.341) 19.122 5.063 ( 1.361 19.027 1.341) 19.122 5.121 ( -3.527 17.964 -2.889) 18.533 5.121 ( -3.527 17.964 2.889) 18.533 5.510 ( 1.623 13.409 -1.718) 13.616 5.510 ( 1.623 13.409 1.718) 13.616 5.677 ( -0.052 13.544 -1.852) 13.671 5.677 ( -0.052 13.544 1.852) 13.671 6.268 ( 2.923 9.332 -1.902) 9.963 6.268 ( 2.923 9.332 1.902) 9.963 6.429 ( -1.703 2.069 -3.946) 4.770 6.429 ( -1.703 2.069 3.946) 4.770 6.618 ( 1.867 22.793 -0.810) 22.884 6.618 ( 1.867 22.793 0.810) 22.884 6.771 ( -0.352 -1.202 -0.757) 1.463 6.771 ( -0.352 -1.202 0.757) 1.463 6.993 ( -1.479 6.952 -1.702) 7.308 6.993 ( -1.479 6.952 1.702) 7.308 7.018 ( 0.432 -1.105 -1.228) 1.707 7.018 ( 0.432 -1.105 1.228) 1.707 8.502 ( 10.588 7.666 -3.013) 13.414 8.502 ( 10.588 7.666 3.013) 13.414 8.694 ( -6.568 7.240 -4.495) 10.759 8.694 ( -6.568 7.240 4.495) 10.759 8.952 ( 1.352 3.714 -4.419) 5.928 8.952 ( 1.352 3.714 4.419) 5.928 9.218 ( -2.302 1.217 -1.022) 2.797 9.218 ( -2.302 1.217 1.022) 2.797 10.356 ( -0.048 -1.456 -2.586) 2.968 10.356 ( -0.048 -1.456 2.586) 2.968 10.402 ( 0.963 -0.621 -2.825) 3.049 10.402 ( 0.963 -0.621 2.825) 3.049 10.755 ( 3.729 -0.535 -8.365) 9.175 10.755 ( 3.729 -0.535 8.365) 9.175 10.969 ( -4.175 0.446 -5.910) 7.250 10.969 ( -4.175 0.446 5.910) 7.250 11.378 ( 6.101 7.362 -4.291) 10.480 11.378 ( 6.101 7.362 4.291) 10.480 11.538 ( -6.093 5.723 -4.962) 9.721 11.538 ( -6.093 5.723 4.962) 9.721 12.129 ( -2.947 7.042 -0.596) 7.657 12.129 ( -2.947 7.042 0.596) 7.657 12.324 ( -2.713 -2.496 -1.428) 3.954 12.324 ( -2.713 -2.496 1.428) 3.954 13.055 ( 4.256 -8.907 -2.018) 10.076 13.055 ( 4.256 -8.907 2.018) 10.076 13.133 ( -1.239 -2.406 -1.740) 3.218 13.133 ( -1.239 -2.406 1.740) 3.218 13.643 ( 0.029 -2.729 -2.783) 3.897 13.643 ( 0.029 -2.729 2.783) 3.897 13.890 ( 2.692 -1.332 -5.586) 6.342 13.890 ( 2.692 -1.332 5.586) 6.342 14.008 ( 1.219 -1.143 -3.698) 4.058 14.008 ( 1.219 -1.143 3.698) 4.058 14.367 ( -6.357 -2.492 -3.706) 7.769 14.367 ( -6.357 -2.492 3.706) 7.769 17.047 ( 1.559 0.188 -1.273) 2.021 17.047 ( 1.559 0.188 1.273) 2.021 17.446 ( 0.752 -3.052 -1.754) 3.599 17.446 ( 0.752 -3.052 1.754) 3.599 17.717 ( -1.237 -10.520 -0.543) 10.607 17.717 ( -1.237 -10.520 0.543) 10.607 17.825 ( 0.643 -13.074 -1.514) 13.177 17.825 ( 0.643 -13.074 1.514) 13.177 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 0.000 6.257 -1.222) 6.375 2.428 ( 0.000 6.257 1.222) 6.375 2.662 ( 0.000 4.836 -4.336) 6.495 2.662 ( 0.000 4.836 4.336) 6.495 2.827 ( 0.000 1.535 -2.208) 2.689 2.827 ( 0.000 1.535 2.208) 2.689 3.103 ( 0.000 1.620 -0.461) 1.684 3.103 ( 0.000 1.620 0.461) 1.684 3.408 ( 0.000 11.404 -2.518) 11.679 3.408 ( 0.000 11.404 2.518) 11.679 3.551 ( 0.000 1.533 -3.130) 3.485 3.551 ( 0.000 1.533 3.130) 3.485 3.967 ( 0.000 -5.088 -2.804) 5.810 3.967 ( 0.000 -5.088 2.804) 5.810 4.049 ( 0.000 -8.201 -6.912) 10.725 4.049 ( 0.000 -8.201 6.912) 10.725 4.365 ( 0.000 -3.092 -0.772) 3.187 4.365 ( 0.000 -3.092 0.772) 3.187 4.547 ( 0.000 -6.171 -3.993) 7.350 4.547 ( 0.000 -6.171 3.993) 7.350 5.431 ( 0.000 9.689 -3.129) 10.181 5.431 ( 0.000 9.689 3.129) 10.181 5.494 ( 0.000 12.620 -1.918) 12.765 5.494 ( 0.000 12.620 1.918) 12.765 5.741 ( 0.000 6.024 -0.782) 6.074 5.741 ( 0.000 6.024 0.782) 6.074 5.802 ( 0.000 10.105 -1.028) 10.157 5.802 ( 0.000 10.105 1.028) 10.157 6.182 ( 0.000 1.041 -2.642) 2.840 6.182 ( 0.000 1.041 2.642) 2.840 6.671 ( 0.000 5.340 -1.316) 5.500 6.671 ( 0.000 5.340 1.316) 5.500 6.785 ( 0.000 8.282 -3.319) 8.922 6.785 ( 0.000 8.282 3.319) 8.922 6.844 ( 0.000 -0.251 -3.344) 3.353 6.844 ( 0.000 -0.251 3.344) 3.353 7.068 ( 0.000 10.969 -0.481) 10.980 7.068 ( 0.000 10.969 0.481) 10.980 7.208 ( 0.000 6.335 -0.214) 6.339 7.208 ( 0.000 6.335 0.214) 6.339 8.447 ( 0.000 11.555 -1.905) 11.711 8.447 ( 0.000 11.555 1.905) 11.711 8.863 ( 0.000 -1.251 -0.946) 1.568 8.863 ( 0.000 -1.251 0.946) 1.568 8.977 ( 0.000 8.482 -1.449) 8.604 8.977 ( 0.000 8.482 1.449) 8.604 9.286 ( 0.000 -1.060 -3.661) 3.811 9.286 ( 0.000 -1.060 3.661) 3.811 10.238 ( 0.000 -5.500 -1.582) 5.723 10.238 ( 0.000 -5.500 1.582) 5.723 10.456 ( 0.000 -7.230 -7.427) 10.365 10.456 ( 0.000 -7.230 7.427) 10.365 10.658 ( 0.000 14.683 -7.943) 16.694 10.658 ( 0.000 14.683 7.943) 16.694 11.164 ( 0.000 6.533 -4.279) 7.809 11.164 ( 0.000 6.533 4.279) 7.809 11.459 ( 0.000 6.038 -8.298) 10.262 11.459 ( 0.000 6.038 8.298) 10.262 11.703 ( 0.000 -6.753 -7.084) 9.787 11.703 ( 0.000 -6.753 7.084) 9.787 12.192 ( 0.000 -1.270 -4.386) 4.566 12.192 ( 0.000 -1.270 4.386) 4.566 12.573 ( 0.000 -10.048 -6.920) 12.200 12.573 ( 0.000 -10.048 6.920) 12.200 12.626 ( 0.000 1.718 -6.095) 6.332 12.626 ( 0.000 1.718 6.095) 6.332 13.261 ( 0.000 -15.688 -7.531) 17.402 13.261 ( 0.000 -15.688 7.531) 17.402 13.356 ( 0.000 9.059 -2.594) 9.424 13.356 ( 0.000 9.059 2.594) 9.424 13.674 ( 0.000 -4.019 -4.348) 5.921 13.674 ( 0.000 -4.019 4.348) 5.921 14.056 ( 0.000 2.712 -4.068) 4.889 14.056 ( 0.000 2.712 4.068) 4.889 14.687 ( 0.000 2.284 -1.594) 2.785 14.687 ( 0.000 2.284 1.594) 2.785 16.969 ( 0.000 1.019 -3.998) 4.126 16.969 ( 0.000 1.019 3.998) 4.126 17.365 ( 0.000 -4.657 -3.920) 6.087 17.365 ( 0.000 -4.657 3.920) 6.087 17.471 ( 0.000 -9.976 -0.898) 10.016 17.471 ( 0.000 -9.976 0.898) 10.016 17.698 ( 0.000 -2.471 -4.257) 4.922 17.698 ( 0.000 -2.471 4.257) 4.922 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 2.212 7.026 -0.394) 7.377 2.452 ( 2.212 7.026 0.394) 7.377 2.662 ( -0.466 3.207 -4.016) 5.161 2.662 ( -0.466 3.207 4.016) 5.161 2.818 ( -0.463 2.275 -3.058) 3.839 2.818 ( -0.463 2.275 3.058) 3.839 3.090 ( -0.770 -0.119 -2.253) 2.383 3.090 ( -0.770 -0.119 2.253) 2.383 3.412 ( -0.036 10.228 -1.686) 10.366 3.412 ( -0.036 10.228 1.686) 10.366 3.513 ( -3.111 3.784 -1.327) 5.075 3.513 ( -3.111 3.784 1.327) 5.075 3.946 ( -1.566 -2.116 -2.745) 3.803 3.946 ( -1.566 -2.116 2.745) 3.803 4.064 ( 1.074 -8.654 -6.565) 10.916 4.064 ( 1.074 -8.654 6.565) 10.916 4.378 ( 1.618 -4.009 -2.777) 5.139 4.378 ( 1.618 -4.009 2.777) 5.139 4.591 ( 3.148 -6.185 -2.839) 7.499 4.591 ( 3.148 -6.185 2.839) 7.499 5.401 ( -1.985 10.551 -2.211) 10.961 5.401 ( -1.985 10.551 2.211) 10.961 5.480 ( -1.716 11.646 -3.752) 12.356 5.480 ( -1.716 11.646 3.752) 12.356 5.729 ( -0.311 8.947 -2.001) 9.173 5.729 ( -0.311 8.947 2.001) 9.173 5.842 ( 2.632 7.060 -2.254) 7.865 5.842 ( 2.632 7.060 2.254) 7.865 6.222 ( 3.928 1.255 -1.459) 4.374 6.222 ( 3.928 1.255 1.459) 4.374 6.624 ( -4.449 3.462 -1.929) 5.958 6.624 ( -4.449 3.462 1.929) 5.958 6.784 ( 0.604 7.207 -2.020) 7.509 6.784 ( 0.604 7.207 2.020) 7.509 6.883 ( 2.638 1.856 -4.009) 5.146 6.883 ( 2.638 1.856 4.009) 5.146 7.071 ( 0.298 10.760 -0.930) 10.804 7.071 ( 0.298 10.760 0.930) 10.804 7.195 ( -1.161 6.972 -0.749) 7.108 7.195 ( -1.161 6.972 0.749) 7.108 8.508 ( 5.502 10.046 -1.850) 11.603 8.508 ( 5.502 10.046 1.850) 11.603 8.854 ( -1.521 -0.831 -2.903) 3.381 8.854 ( -1.521 -0.831 2.903) 3.381 9.015 ( 3.722 8.912 -2.313) 9.931 9.015 ( 3.722 8.912 2.313) 9.931 9.280 ( -0.462 0.774 -3.022) 3.154 9.280 ( -0.462 0.774 3.022) 3.154 10.255 ( 1.620 -4.786 -0.941) 5.140 10.255 ( 1.620 -4.786 0.941) 5.140 10.474 ( -0.725 -4.476 -2.235) 5.055 10.474 ( -0.725 -4.476 2.235) 5.055 10.622 ( -0.043 8.515 -6.983) 11.013 10.622 ( -0.043 8.515 6.983) 11.013 11.128 ( -5.199 2.941 -7.289) 9.424 11.128 ( -5.199 2.941 7.289) 9.424 11.452 ( 0.674 5.358 -3.663) 6.525 11.452 ( 0.674 5.358 3.663) 6.525 11.687 ( -0.956 -0.636 -5.528) 5.646 11.687 ( -0.956 -0.636 5.528) 5.646 12.196 ( 0.524 -1.717 -3.570) 3.996 12.196 ( 0.524 -1.717 3.570) 3.996 12.476 ( -9.501 0.520 -6.746) 11.664 12.476 ( -9.501 0.520 6.746) 11.664 12.679 ( 5.975 -9.369 -2.618) 11.416 12.679 ( 5.975 -9.369 2.618) 11.416 13.139 ( -6.872 -9.443 -5.921) 13.094 13.139 ( -6.872 -9.443 5.921) 13.094 13.518 ( 9.530 2.914 -4.941) 11.123 13.518 ( 9.530 2.914 4.941) 11.123 13.746 ( 6.673 -2.368 -2.310) 7.447 13.746 ( 6.673 -2.368 2.310) 7.447 14.028 ( -2.426 1.908 -3.327) 4.539 14.028 ( -2.426 1.908 3.327) 4.539 14.576 ( -9.871 1.549 -3.697) 10.653 14.576 ( -9.871 1.549 3.697) 10.653 17.008 ( 3.003 1.079 -2.971) 4.360 17.008 ( 3.003 1.079 2.971) 4.360 17.348 ( -0.972 -5.492 -3.031) 6.347 17.348 ( -0.972 -5.492 3.031) 6.347 17.503 ( 2.508 -8.831 -2.485) 9.510 17.503 ( 2.508 -8.831 2.485) 9.510 17.686 ( -1.091 -2.580 -4.176) 5.029 17.686 ( -1.091 -2.580 4.176) 5.029 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 2.607 8.462 -0.881) 8.898 2.508 ( 2.607 8.462 0.881) 8.898 2.629 ( -2.189 4.022 -2.262) 5.108 2.629 ( -2.189 4.022 2.262) 5.108 2.821 ( 0.484 -1.247 -2.958) 3.246 2.821 ( 0.484 -1.247 2.958) 3.246 3.085 ( 0.185 -3.589 -2.164) 4.195 3.085 ( 0.185 -3.589 2.164) 4.195 3.405 ( -0.165 7.453 -2.468) 7.853 3.405 ( -0.165 7.453 2.468) 7.853 3.445 ( -2.771 9.530 -3.497) 10.522 3.445 ( -2.771 9.530 3.497) 10.522 3.935 ( 0.356 2.151 -1.713) 2.773 3.935 ( 0.356 2.151 1.713) 2.773 4.067 ( -0.585 -7.774 -2.430) 8.166 4.067 ( -0.585 -7.774 2.430) 8.166 4.424 ( 1.820 -5.920 -1.875) 6.471 4.424 ( 1.820 -5.920 1.875) 6.471 4.641 ( 1.289 -6.338 -1.717) 6.692 4.641 ( 1.289 -6.338 1.717) 6.692 5.377 ( -0.030 11.276 -0.888) 11.311 5.377 ( -0.030 11.276 0.888) 11.311 5.428 ( -2.500 11.034 -2.819) 11.660 5.428 ( -2.500 11.034 2.819) 11.660 5.737 ( 0.693 9.357 -0.798) 9.417 5.737 ( 0.693 9.357 0.798) 9.417 5.879 ( 0.758 6.230 -1.338) 6.417 5.879 ( 0.758 6.230 1.338) 6.417 6.342 ( 7.164 1.574 -1.045) 7.409 6.342 ( 7.164 1.574 1.045) 7.409 6.499 ( -7.165 2.068 -2.434) 7.845 6.499 ( -7.165 2.068 2.434) 7.845 6.803 ( 0.813 5.918 -0.871) 6.037 6.803 ( 0.813 5.918 0.871) 6.037 6.926 ( 1.119 3.180 -1.845) 3.843 6.926 ( 1.119 3.180 1.845) 3.843 7.080 ( 0.441 10.405 -0.741) 10.440 7.080 ( 0.441 10.405 0.741) 10.440 7.169 ( -1.005 7.949 -0.762) 8.048 7.169 ( -1.005 7.949 0.762) 8.048 8.646 ( 6.664 5.678 -2.203) 9.028 8.646 ( 6.664 5.678 2.203) 9.028 8.790 ( -4.413 1.947 -3.190) 5.783 8.790 ( -4.413 1.947 3.190) 5.783 9.097 ( 2.852 9.648 -1.584) 10.185 9.097 ( 2.852 9.648 1.584) 10.185 9.271 ( -0.359 4.141 -0.925) 4.258 9.271 ( -0.359 4.141 0.925) 4.258 10.303 ( 2.818 -2.786 -1.277) 4.163 10.303 ( 2.818 -2.786 1.277) 4.163 10.397 ( -4.307 -0.484 -2.960) 5.248 10.397 ( -4.307 -0.484 2.960) 5.248 10.718 ( 6.805 -1.655 -8.848) 11.284 10.718 ( 6.805 -1.655 8.848) 11.284 10.954 ( -9.185 -2.365 -7.879) 12.330 10.954 ( -9.185 -2.365 7.879) 12.330 11.496 ( 2.234 4.630 -1.551) 5.369 11.496 ( 2.234 4.630 1.551) 5.369 11.675 ( -0.317 6.763 -2.943) 7.383 11.675 ( -0.317 6.763 2.943) 7.383 12.213 ( 1.083 -1.601 -2.631) 3.265 12.213 ( 1.083 -1.601 2.631) 3.265 12.281 ( -6.958 2.104 -4.063) 8.328 12.281 ( -6.958 2.104 4.063) 8.328 12.828 ( 7.773 -11.375 -2.246) 13.959 12.828 ( 7.773 -11.375 2.246) 13.959 12.990 ( -7.478 -10.706 -3.850) 13.615 12.990 ( -7.478 -10.706 3.850) 13.615 13.684 ( 5.386 5.069 -4.051) 8.433 13.684 ( 5.386 5.069 4.051) 8.433 13.895 ( 2.883 1.187 -2.937) 4.284 13.895 ( 2.883 1.187 2.937) 4.284 14.004 ( 4.004 0.235 -2.786) 4.883 14.004 ( 4.004 0.235 2.786) 4.883 14.332 ( -11.414 -1.268 -4.234) 12.240 14.332 ( -11.414 -1.268 4.234) 12.240 17.061 ( 1.505 1.113 -0.962) 2.104 17.061 ( 1.505 1.113 0.962) 2.104 17.338 ( -0.111 -7.043 -1.278) 7.159 17.338 ( -0.111 -7.043 1.278) 7.159 17.555 ( 1.974 -5.230 -2.685) 6.201 17.555 ( 1.974 -5.230 2.685) 6.201 17.657 ( -1.390 -4.290 -2.939) 5.382 17.657 ( -1.390 -4.290 2.939) 5.382 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 0.000 1.618 -0.053) 1.619 2.503 ( 0.000 1.618 0.053) 1.619 2.752 ( 0.000 2.399 -2.415) 3.404 2.752 ( 0.000 2.399 2.415) 3.404 2.890 ( 0.000 5.699 -1.575) 5.913 2.890 ( 0.000 5.699 1.575) 5.913 3.033 ( 0.000 -6.791 -2.785) 7.340 3.033 ( 0.000 -6.791 2.785) 7.340 3.595 ( 0.000 6.510 -2.546) 6.990 3.595 ( 0.000 6.510 2.546) 6.990 3.678 ( 0.000 9.251 -4.921) 10.478 3.678 ( 0.000 9.251 4.921) 10.478 3.857 ( 0.000 -4.866 -1.511) 5.096 3.857 ( 0.000 -4.866 1.511) 5.096 3.871 ( 0.000 -9.342 -1.437) 9.452 3.871 ( 0.000 -9.342 1.438) 9.452 4.322 ( 0.000 -1.123 -0.244) 1.149 4.322 ( 0.000 -1.123 0.244) 1.149 4.442 ( 0.000 -3.119 -1.282) 3.372 4.442 ( 0.000 -3.119 1.282) 3.372 5.541 ( 0.000 2.336 -0.322) 2.358 5.541 ( 0.000 2.336 0.322) 2.358 5.666 ( 0.000 4.206 -0.076) 4.207 5.666 ( 0.000 4.206 0.076) 4.207 5.804 ( 0.000 0.795 -0.675) 1.043 5.804 ( 0.000 0.795 0.675) 1.043 5.946 ( 0.000 3.885 -0.038) 3.885 5.946 ( 0.000 3.885 0.038) 3.885 6.227 ( 0.000 2.164 -0.457) 2.212 6.227 ( 0.000 2.164 0.457) 2.212 6.707 ( 0.000 -0.698 -0.793) 1.056 6.707 ( 0.000 -0.698 0.793) 1.056 6.831 ( 0.000 1.059 -0.590) 1.212 6.831 ( 0.000 1.059 0.590) 1.212 6.925 ( 0.000 3.427 -0.488) 3.462 6.925 ( 0.000 3.427 0.488) 3.462 7.247 ( 0.000 4.994 -1.378) 5.180 7.247 ( 0.000 4.994 1.378) 5.180 7.298 ( 0.000 2.212 -1.705) 2.793 7.298 ( 0.000 2.212 1.705) 2.793 8.643 ( 0.000 7.085 -1.438) 7.230 8.643 ( 0.000 7.085 1.438) 7.230 8.804 ( 0.000 -3.930 -0.976) 4.049 8.804 ( 0.000 -3.930 0.976) 4.049 9.102 ( 0.000 3.336 -0.655) 3.399 9.102 ( 0.000 3.336 0.655) 3.399 9.301 ( 0.000 1.435 -1.042) 1.773 9.301 ( 0.000 1.435 1.042) 1.773 10.153 ( 0.000 -2.495 -1.240) 2.786 10.153 ( 0.000 -2.495 1.240) 2.786 10.344 ( 0.000 -3.192 -1.870) 3.699 10.344 ( 0.000 -3.192 1.870) 3.699 10.976 ( 0.000 14.346 -7.025) 15.974 10.976 ( 0.000 14.346 7.025) 15.974 11.261 ( 0.000 2.763 -2.188) 3.524 11.261 ( 0.000 2.763 2.188) 3.524 11.448 ( 0.000 -9.618 -6.202) 11.444 11.448 ( 0.000 -9.618 6.202) 11.444 11.591 ( 0.000 0.127 -4.666) 4.668 11.591 ( 0.000 0.127 4.666) 4.668 12.127 ( 0.000 -3.190 -1.364) 3.470 12.127 ( 0.000 -3.190 1.364) 3.470 12.421 ( 0.000 -3.317 -0.526) 3.359 12.421 ( 0.000 -3.317 0.526) 3.359 12.749 ( 0.000 8.303 -8.634) 11.979 12.749 ( 0.000 8.303 8.634) 11.979 12.967 ( 0.000 -12.567 -8.577) 15.215 12.967 ( 0.000 -12.567 8.577) 15.215 13.503 ( 0.000 5.178 -0.459) 5.199 13.503 ( 0.000 5.178 0.459) 5.199 13.603 ( 0.000 -3.192 -3.460) 4.707 13.603 ( 0.000 -3.192 3.460) 4.707 14.104 ( 0.000 1.522 -1.420) 2.082 14.104 ( 0.000 1.522 1.420) 2.082 14.714 ( 0.000 0.568 -0.618) 0.839 14.714 ( 0.000 0.568 0.618) 0.839 16.992 ( 0.000 0.913 -1.696) 1.926 16.992 ( 0.000 0.913 1.696) 1.926 17.264 ( 0.000 -3.713 -0.883) 3.817 17.264 ( 0.000 -3.713 0.883) 3.817 17.358 ( 0.000 -2.016 -0.136) 2.020 17.358 ( 0.000 -2.016 0.136) 2.020 17.675 ( 0.000 -0.341 -1.490) 1.529 17.675 ( 0.000 -0.341 1.490) 1.529 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 3.391 1.808 -0.616) 3.892 2.539 ( 3.391 1.808 0.616) 3.892 2.734 ( -1.225 2.873 -2.875) 4.244 2.734 ( -1.225 2.873 2.875) 4.244 2.878 ( -1.596 4.286 -0.441) 4.595 2.878 ( -1.596 4.286 0.441) 4.595 3.002 ( -2.659 -6.600 -1.267) 7.227 3.002 ( -2.659 -6.600 1.267) 7.227 3.570 ( -1.698 5.628 -2.943) 6.574 3.570 ( -1.698 5.628 2.943) 6.574 3.672 ( -1.216 8.732 -4.280) 9.801 3.672 ( -1.216 8.732 4.280) 9.801 3.876 ( 1.527 -6.092 -4.799) 7.904 3.876 ( 1.527 -6.092 4.799) 7.904 3.892 ( 2.504 -5.797 -4.978) 8.041 3.892 ( 2.504 -5.797 4.978) 8.041 4.347 ( 1.864 0.845 -1.006) 2.280 4.347 ( 1.864 0.845 1.006) 2.280 4.465 ( 1.711 -5.151 -0.818) 5.489 4.465 ( 1.711 -5.151 0.818) 5.489 5.525 ( -0.997 2.634 -0.577) 2.875 5.525 ( -0.997 2.634 0.577) 2.875 5.633 ( -2.975 3.492 -1.394) 4.794 5.633 ( -2.975 3.492 1.394) 4.794 5.840 ( 2.703 2.258 -0.845) 3.622 5.840 ( 2.703 2.258 0.845) 3.622 5.948 ( 0.141 3.225 -0.295) 3.241 5.948 ( 0.141 3.225 0.295) 3.241 6.257 ( 3.171 1.474 -0.596) 3.548 6.257 ( 3.171 1.474 0.596) 3.548 6.645 ( -5.048 -0.362 -0.771) 5.120 6.645 ( -5.048 -0.362 0.771) 5.120 6.869 ( 2.563 1.627 -0.693) 3.114 6.869 ( 2.563 1.627 0.693) 3.114 6.935 ( 0.799 2.588 -1.508) 3.100 6.935 ( 0.799 2.588 1.508) 3.100 7.245 ( -0.021 4.760 -0.744) 4.818 7.245 ( -0.021 4.760 0.744) 4.818 7.294 ( -0.423 2.492 -1.199) 2.797 7.294 ( -0.423 2.492 1.199) 2.797 8.671 ( 2.415 5.424 -1.067) 6.032 8.671 ( 2.415 5.424 1.067) 6.032 8.810 ( 0.074 -2.744 -1.189) 2.992 8.810 ( 0.074 -2.744 1.189) 2.992 9.152 ( 4.821 3.716 -1.290) 6.223 9.152 ( 4.821 3.716 1.290) 6.223 9.322 ( 1.766 2.205 -1.273) 3.098 9.322 ( 1.766 2.205 1.273) 3.098 10.180 ( 2.576 -2.254 -0.713) 3.496 10.180 ( 2.576 -2.254 0.713) 3.496 10.368 ( 1.872 -3.489 -1.712) 4.314 10.368 ( 1.872 -3.489 1.712) 4.314 10.860 ( -8.622 11.842 -6.125) 15.877 10.860 ( -8.622 11.842 6.125) 15.877 11.109 ( -11.388 -5.189 -8.468) 15.110 11.109 ( -11.388 -5.189 8.468) 15.111 11.527 ( 4.979 2.819 -5.875) 8.201 11.527 ( 4.979 2.819 5.875) 8.201 11.655 ( 4.299 -2.506 -2.178) 5.431 11.655 ( 4.299 -2.506 2.178) 5.431 12.146 ( 1.765 -1.553 -0.942) 2.533 12.146 ( 1.765 -1.553 0.942) 2.533 12.406 ( -1.983 -4.145 -0.626) 4.638 12.406 ( -1.983 -4.145 0.626) 4.638 12.688 ( -3.766 7.183 -5.690) 9.907 12.688 ( -3.766 7.183 5.690) 9.907 12.898 ( -5.579 -11.689 -6.535) 14.507 12.898 ( -5.579 -11.689 6.535) 14.507 13.615 ( 8.124 4.597 -2.645) 9.702 13.615 ( 8.124 4.597 2.645) 9.702 13.697 ( 9.188 -2.765 -2.350) 9.879 13.697 ( 9.188 -2.765 2.350) 9.879 14.065 ( -3.583 1.230 -1.326) 4.014 14.065 ( -3.583 1.230 1.326) 4.014 14.594 ( -10.766 0.363 -1.459) 10.871 14.594 ( -10.766 0.363 1.459) 10.871 17.032 ( 3.184 1.032 -1.245) 3.571 17.032 ( 3.184 1.032 1.245) 3.571 17.243 ( -1.733 -3.613 -0.864) 4.100 17.243 ( -1.733 -3.613 0.864) 4.100 17.400 ( 3.803 -2.029 -1.085) 4.445 17.400 ( 3.803 -2.029 1.085) 4.445 17.660 ( -1.509 -0.448 -1.463) 2.149 17.660 ( -1.509 -0.448 1.463) 2.149 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 5.097 2.706 -1.535) 5.972 2.634 ( 5.097 2.706 1.535) 5.972 2.709 ( -1.613 3.801 -2.507) 4.830 2.709 ( -1.613 3.801 2.507) 4.830 2.820 ( -3.136 2.520 -1.978) 4.483 2.820 ( -3.136 2.520 1.978) 4.483 2.948 ( -1.819 -8.158 -0.948) 8.412 2.948 ( -1.819 -8.158 0.948) 8.412 3.553 ( 0.151 6.726 -1.990) 7.015 3.553 ( 0.151 6.726 1.990) 7.015 3.629 ( -2.088 5.156 -2.303) 6.021 3.629 ( -2.088 5.156 2.303) 6.021 3.920 ( 1.938 -3.737 -2.404) 4.848 3.920 ( 1.938 -3.737 2.404) 4.848 3.943 ( 1.467 -2.828 -0.456) 3.219 3.943 ( 1.467 -2.828 0.456) 3.219 4.378 ( 0.855 2.225 -0.690) 2.482 4.378 ( 0.855 2.225 0.690) 2.482 4.493 ( 0.780 -7.389 -0.473) 7.445 4.493 ( 0.780 -7.389 0.473) 7.445 5.519 ( 0.689 3.210 -0.766) 3.371 5.519 ( 0.689 3.210 0.766) 3.371 5.564 ( -3.017 2.910 -1.403) 4.420 5.564 ( -3.017 2.910 1.403) 4.420 5.886 ( 1.359 4.806 -0.624) 5.033 5.886 ( 1.359 4.806 0.624) 5.033 5.948 ( -0.140 0.952 -0.563) 1.115 5.948 ( -0.140 0.952 0.563) 1.115 6.364 ( 6.741 0.658 -0.366) 6.783 6.364 ( 6.741 0.658 0.366) 6.783 6.516 ( -7.046 0.030 -0.624) 7.074 6.516 ( -7.046 0.030 0.624) 7.074 6.911 ( 1.151 3.466 -1.138) 3.825 6.911 ( 1.151 3.466 1.138) 3.825 6.950 ( 0.503 0.509 -1.487) 1.650 6.950 ( 0.503 0.509 1.487) 1.650 7.250 ( 0.509 4.612 -0.122) 4.642 7.250 ( 0.509 4.612 0.122) 4.642 7.280 ( -0.814 2.711 -0.759) 2.931 7.280 ( -0.814 2.711 0.759) 2.931 8.728 ( 2.644 2.633 -0.888) 3.836 8.728 ( 2.644 2.633 0.888) 3.836 8.793 ( -1.606 -1.007 -1.247) 2.269 8.793 ( -1.606 -1.007 1.247) 2.269 9.270 ( 4.819 5.697 -1.075) 7.539 9.270 ( 4.819 5.697 1.075) 7.539 9.352 ( 0.463 2.541 -0.824) 2.711 9.352 ( 0.463 2.541 0.824) 2.711 10.261 ( 5.218 -1.150 -1.096) 5.454 10.261 ( 5.218 -1.150 1.096) 5.454 10.370 ( -3.291 -1.598 -0.837) 3.753 10.370 ( -3.291 -1.598 0.837) 3.753 10.737 ( -0.513 3.483 -3.679) 5.092 10.737 ( -0.513 3.483 3.679) 5.092 10.872 ( -9.681 -4.992 -6.306) 12.586 10.872 ( -9.681 -4.992 6.306) 12.586 11.603 ( 1.957 6.391 -1.841) 6.933 11.603 ( 1.957 6.391 1.841) 6.933 11.726 ( 1.990 -3.162 -0.776) 3.815 11.726 ( 1.990 -3.162 0.776) 3.815 12.195 ( 2.621 2.670 -0.923) 3.854 12.195 ( 2.621 2.670 0.923) 3.854 12.328 ( -4.364 -0.617 -1.631) 4.699 12.328 ( -4.364 -0.617 1.631) 4.699 12.670 ( 2.155 -1.842 -1.581) 3.246 12.670 ( 2.155 -1.842 1.581) 3.246 12.774 ( -5.550 -9.243 -3.425) 11.312 12.774 ( -5.550 -9.243 3.425) 11.312 13.778 ( 7.212 3.059 -2.498) 8.222 13.778 ( 7.212 3.059 2.498) 8.222 13.915 ( 2.127 0.470 -1.579) 2.691 13.915 ( 2.127 0.470 1.579) 2.691 14.008 ( 6.615 0.088 -1.345) 6.750 14.008 ( 6.615 0.088 1.345) 6.750 14.312 ( -15.006 -0.559 -2.046) 15.155 14.312 ( -15.006 -0.559 2.046) 15.155 17.095 ( 2.169 2.170 -0.450) 3.101 17.095 ( 2.169 2.170 0.450) 3.101 17.204 ( -1.553 -5.082 -0.483) 5.336 17.204 ( -1.553 -5.082 0.483) 5.336 17.500 ( 5.136 -0.862 -1.379) 5.387 17.500 ( 5.136 -0.862 1.379) 5.387 17.607 ( -3.614 -1.143 -1.386) 4.036 17.607 ( -3.614 -1.143 1.386) 4.036 =================== 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 3/25200 10.0 3155.154 3665.292 2859.524 0.000 0.000 -0.000 3/25200 20.0 324.358 513.303 392.594 0.000 0.000 -0.000 3/25200 30.0 97.930 174.922 116.116 0.000 0.000 -0.000 3/25200 40.0 45.975 93.153 53.556 0.000 0.000 -0.000 3/25200 50.0 27.098 61.051 31.283 0.000 0.000 -0.000 3/25200 60.0 18.252 44.585 20.979 0.000 0.000 -0.000 3/25200 70.0 13.394 34.717 15.359 0.000 0.000 0.000 3/25200 80.0 10.423 28.208 11.934 0.000 0.000 0.000 3/25200 90.0 8.464 23.633 9.676 0.000 0.000 0.000 3/25200 100.0 7.094 20.269 8.097 0.000 0.000 0.000 3/25200 110.0 6.094 17.707 6.943 0.000 0.000 0.000 3/25200 120.0 5.337 15.703 6.069 0.000 0.000 0.000 3/25200 130.0 4.747 14.099 5.386 0.000 0.000 0.000 3/25200 140.0 4.275 12.790 4.841 0.000 0.000 0.000 3/25200 150.0 3.891 11.703 4.396 0.000 0.000 0.000 3/25200 160.0 3.572 10.789 4.028 0.000 0.000 0.000 3/25200 170.0 3.303 10.010 3.717 0.000 0.000 0.000 3/25200 180.0 3.073 9.338 3.452 0.000 0.000 0.000 3/25200 190.0 2.875 8.754 3.223 0.000 0.000 0.000 3/25200 200.0 2.701 8.241 3.023 0.000 0.000 0.000 3/25200 210.0 2.549 7.786 2.848 0.000 0.000 0.000 3/25200 220.0 2.413 7.381 2.692 0.000 0.000 0.000 3/25200 230.0 2.292 7.018 2.554 0.000 0.000 0.000 3/25200 240.0 2.183 6.690 2.429 0.000 0.000 0.000 3/25200 250.0 2.085 6.392 2.316 0.000 0.000 0.000 3/25200 260.0 1.995 6.121 2.214 0.000 0.000 0.000 3/25200 270.0 1.913 5.873 2.121 0.000 0.000 0.000 3/25200 280.0 1.838 5.645 2.035 0.000 0.000 0.000 3/25200 290.0 1.768 5.434 1.957 0.000 0.000 0.000 3/25200 300.0 1.704 5.239 1.884 0.000 0.000 0.000 3/25200 310.0 1.645 5.058 1.817 0.000 0.000 0.000 3/25200 320.0 1.589 4.890 1.754 0.000 0.000 0.000 3/25200 330.0 1.538 4.733 1.696 0.000 0.000 0.000 3/25200 340.0 1.489 4.586 1.642 0.000 0.000 0.000 3/25200 350.0 1.444 4.448 1.591 0.000 0.000 0.000 3/25200 360.0 1.402 4.318 1.544 0.000 0.000 0.000 3/25200 370.0 1.362 4.196 1.499 0.000 0.000 0.000 3/25200 380.0 1.324 4.081 1.457 0.000 0.000 0.000 3/25200 390.0 1.288 3.972 1.417 0.000 0.000 0.000 3/25200 400.0 1.255 3.869 1.379 0.000 0.000 0.000 3/25200 410.0 1.223 3.771 1.343 0.000 0.000 0.000 3/25200 420.0 1.192 3.678 1.310 0.000 0.000 0.000 3/25200 430.0 1.164 3.590 1.277 0.000 0.000 0.000 3/25200 440.0 1.136 3.505 1.247 0.000 0.000 0.000 3/25200 450.0 1.110 3.425 1.218 0.000 0.000 0.000 3/25200 460.0 1.085 3.349 1.190 0.000 0.000 0.000 3/25200 470.0 1.061 3.275 1.164 0.000 0.000 0.000 3/25200 480.0 1.038 3.206 1.138 0.000 0.000 0.000 3/25200 490.0 1.017 3.139 1.114 0.000 0.000 0.000 3/25200 500.0 0.996 3.074 1.091 0.000 0.000 0.000 3/25200 510.0 0.976 3.013 1.069 0.000 0.000 0.000 3/25200 520.0 0.956 2.954 1.047 0.000 0.000 0.000 3/25200 530.0 0.938 2.897 1.027 0.000 0.000 0.000 3/25200 540.0 0.920 2.842 1.007 0.000 0.000 0.000 3/25200 550.0 0.903 2.789 0.988 0.000 0.000 0.000 3/25200 560.0 0.886 2.739 0.970 0.000 0.000 0.000 3/25200 570.0 0.871 2.690 0.952 0.000 0.000 0.000 3/25200 580.0 0.855 2.643 0.936 0.000 0.000 0.000 3/25200 590.0 0.840 2.597 0.919 0.000 0.000 0.000 3/25200 600.0 0.826 2.553 0.903 0.000 0.000 0.000 3/25200 610.0 0.812 2.511 0.888 0.000 0.000 0.000 3/25200 620.0 0.799 2.470 0.874 0.000 0.000 0.000 3/25200 630.0 0.786 2.430 0.859 0.000 0.000 0.000 3/25200 640.0 0.774 2.392 0.846 0.000 0.000 0.000 3/25200 650.0 0.762 2.354 0.832 0.000 0.000 0.000 3/25200 660.0 0.750 2.318 0.819 0.000 0.000 0.000 3/25200 670.0 0.738 2.283 0.807 0.000 0.000 0.000 3/25200 680.0 0.727 2.249 0.795 0.000 0.000 0.000 3/25200 690.0 0.717 2.216 0.783 0.000 0.000 0.000 3/25200 700.0 0.706 2.184 0.772 0.000 0.000 0.000 3/25200 710.0 0.696 2.153 0.760 0.000 0.000 0.000 3/25200 720.0 0.686 2.123 0.750 0.000 0.000 0.000 3/25200 730.0 0.677 2.094 0.739 0.000 0.000 0.000 3/25200 740.0 0.668 2.065 0.729 0.000 0.000 0.000 3/25200 750.0 0.659 2.037 0.719 0.000 0.000 0.000 3/25200 760.0 0.650 2.010 0.710 0.000 0.000 0.000 3/25200 770.0 0.641 1.984 0.700 0.000 0.000 0.000 3/25200 780.0 0.633 1.958 0.691 0.000 0.000 0.000 3/25200 790.0 0.625 1.933 0.682 0.000 0.000 0.000 3/25200 800.0 0.617 1.909 0.673 0.000 0.000 0.000 3/25200 810.0 0.609 1.885 0.665 0.000 0.000 0.000 3/25200 820.0 0.602 1.862 0.657 0.000 0.000 0.000 3/25200 830.0 0.595 1.839 0.649 0.000 0.000 0.000 3/25200 840.0 0.587 1.817 0.641 0.000 0.000 0.000 3/25200 850.0 0.580 1.796 0.633 0.000 0.000 0.000 3/25200 860.0 0.574 1.775 0.626 0.000 0.000 0.000 3/25200 870.0 0.567 1.754 0.619 0.000 0.000 0.000 3/25200 880.0 0.560 1.734 0.611 0.000 0.000 0.000 3/25200 890.0 0.554 1.715 0.604 0.000 0.000 0.000 3/25200 900.0 0.548 1.696 0.598 0.000 0.000 0.000 3/25200 910.0 0.542 1.677 0.591 0.000 0.000 0.000 3/25200 920.0 0.536 1.658 0.585 0.000 0.000 0.000 3/25200 930.0 0.530 1.641 0.578 0.000 0.000 0.000 3/25200 940.0 0.524 1.623 0.572 0.000 0.000 0.000 3/25200 950.0 0.519 1.606 0.566 0.000 0.000 0.000 3/25200 960.0 0.513 1.589 0.560 0.000 0.000 0.000 3/25200 970.0 0.508 1.573 0.554 0.000 0.000 0.000 3/25200 980.0 0.503 1.556 0.548 0.000 0.000 0.000 3/25200 990.0 0.498 1.541 0.543 0.000 0.000 0.000 3/25200 1000.0 0.493 1.525 0.537 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m5154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:31:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|