----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:51:49]------------------------- Compiled with OpenMP support (max 48 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 9.928496730000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.355192290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.746389600000001 Atomic positions (fractional): *1 Sr 0.25239792732644 0.75000000000000 0.84979608435107 87.620 2 Sr 0.75239792732644 0.75000000000000 0.65020391564893 87.620 3 Sr 0.74760207267356 0.25000000000000 0.15020391564893 87.620 4 Sr 0.24760207267356 0.25000000000000 0.34979608435107 87.620 *5 Er 0.57692412169387 0.25000000000000 0.88985182138425 167.259 6 Er 0.07692412169387 0.25000000000000 0.61014817861575 167.259 *7 Er 0.57716338195230 0.25000000000000 0.38850566840359 167.259 8 Er 0.92307587830613 0.75000000000000 0.38985182138425 167.259 9 Er 0.42283661804770 0.75000000000000 0.61149433159641 167.259 10 Er 0.07716338195230 0.25000000000000 0.11149433159641 167.259 11 Er 0.42307587830613 0.75000000000000 0.11014817861575 167.259 12 Er 0.92283661804770 0.75000000000000 0.88850566840359 167.259 *13 O 0.48485456323468 0.25000000000000 0.21663685640016 15.999 *14 O 0.62490257866853 0.75000000000000 0.01945187543860 15.999 *15 O 0.21139946714586 0.75000000000000 0.17315953825002 15.999 16 O 0.78860053285414 0.25000000000000 0.82684046174998 15.999 17 O 0.37509742133147 0.25000000000000 0.98054812456140 15.999 18 O 0.01514543676532 0.75000000000000 0.71663685640016 15.999 19 O 0.12490257866853 0.75000000000000 0.48054812456140 15.999 *20 O 0.42616326297337 0.75000000000000 0.42252121391300 15.999 21 O 0.07383673702663 0.25000000000000 0.92252121391300 15.999 22 O 0.87509742133147 0.25000000000000 0.51945187543860 15.999 23 O 0.28860053285414 0.25000000000000 0.67315953825002 15.999 24 O 0.71139946714586 0.75000000000000 0.32684046174998 15.999 25 O 0.57383673702663 0.25000000000000 0.57747878608700 15.999 26 O 0.92616326297337 0.75000000000000 0.07747878608700 15.999 27 O 0.51514543676532 0.75000000000000 0.78336314359984 15.999 28 O 0.98485456323468 0.25000000000000 0.28336314359984 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.928496730000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.355192290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.746389600000001 Atomic positions (fractional): *1 Sr 0.25239792732644 0.75000000000000 0.84979608435107 87.620 > 1 2 Sr 0.75239792732644 0.75000000000000 0.65020391564893 87.620 > 2 3 Sr 0.74760207267356 0.25000000000000 0.15020391564893 87.620 > 3 4 Sr 0.24760207267356 0.25000000000000 0.34979608435107 87.620 > 4 *5 Er 0.57692412169387 0.25000000000000 0.88985182138425 167.259 > 5 6 Er 0.07692412169387 0.25000000000000 0.61014817861575 167.259 > 6 *7 Er 0.57716338195230 0.25000000000000 0.38850566840359 167.259 > 7 8 Er 0.92307587830613 0.75000000000000 0.38985182138425 167.259 > 8 9 Er 0.42283661804770 0.75000000000000 0.61149433159641 167.259 > 9 10 Er 0.07716338195230 0.25000000000000 0.11149433159641 167.259 > 10 11 Er 0.42307587830613 0.75000000000000 0.11014817861575 167.259 > 11 12 Er 0.92283661804770 0.75000000000000 0.88850566840359 167.259 > 12 *13 O 0.48485456323468 0.25000000000000 0.21663685640016 15.999 > 13 *14 O 0.62490257866853 0.75000000000000 0.01945187543860 15.999 > 14 *15 O 0.21139946714586 0.75000000000000 0.17315953825002 15.999 > 15 16 O 0.78860053285414 0.25000000000000 0.82684046174998 15.999 > 16 17 O 0.37509742133147 0.25000000000000 0.98054812456140 15.999 > 17 18 O 0.01514543676532 0.75000000000000 0.71663685640016 15.999 > 18 19 O 0.12490257866853 0.75000000000000 0.48054812456140 15.999 > 19 *20 O 0.42616326297337 0.75000000000000 0.42252121391300 15.999 > 20 21 O 0.07383673702663 0.25000000000000 0.92252121391300 15.999 > 21 22 O 0.87509742133147 0.25000000000000 0.51945187543860 15.999 > 22 23 O 0.28860053285414 0.25000000000000 0.67315953825002 15.999 > 23 24 O 0.71139946714586 0.75000000000000 0.32684046174998 15.999 > 24 25 O 0.57383673702663 0.25000000000000 0.57747878608700 15.999 > 25 26 O 0.92616326297337 0.75000000000000 0.07747878608700 15.999 > 26 27 O 0.51514543676532 0.75000000000000 0.78336314359984 15.999 > 27 28 O 0.98485456323468 0.25000000000000 0.28336314359984 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.928496730000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.065576870000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.746389600000001 Atomic positions (fractional): *1 Sr 0.25239792732644 0.25000000000000 0.84979608435107 87.620 > 1 2 Sr 0.25239792732644 0.58333333333333 0.84979608435107 87.620 > 1 3 Sr 0.25239792732644 0.91666666666667 0.84979608435107 87.620 > 1 4 Sr 0.75239792732644 0.25000000000000 0.65020391564893 87.620 > 2 5 Sr 0.75239792732644 0.58333333333333 0.65020391564893 87.620 > 2 6 Sr 0.75239792732644 0.91666666666667 0.65020391564893 87.620 > 2 7 Sr 0.74760207267356 0.08333333333333 0.15020391564893 87.620 > 3 8 Sr 0.74760207267356 0.41666666666667 0.15020391564893 87.620 > 3 9 Sr 0.74760207267356 0.75000000000000 0.15020391564893 87.620 > 3 10 Sr 0.24760207267356 0.08333333333333 0.34979608435107 87.620 > 4 11 Sr 0.24760207267356 0.41666666666667 0.34979608435107 87.620 > 4 12 Sr 0.24760207267356 0.75000000000000 0.34979608435107 87.620 > 4 *13 Er 0.57692412169387 0.08333333333333 0.88985182138425 167.259 > 5 14 Er 0.57692412169387 0.41666666666667 0.88985182138425 167.259 > 5 15 Er 0.57692412169387 0.75000000000000 0.88985182138425 167.259 > 5 16 Er 0.07692412169387 0.08333333333333 0.61014817861575 167.259 > 6 17 Er 0.07692412169387 0.41666666666667 0.61014817861575 167.259 > 6 18 Er 0.07692412169387 0.75000000000000 0.61014817861575 167.259 > 6 *19 Er 0.57716338195230 0.08333333333333 0.38850566840359 167.259 > 7 20 Er 0.57716338195230 0.41666666666667 0.38850566840359 167.259 > 7 21 Er 0.57716338195230 0.75000000000000 0.38850566840359 167.259 > 7 22 Er 0.92307587830613 0.25000000000000 0.38985182138425 167.259 > 8 23 Er 0.92307587830613 0.58333333333333 0.38985182138425 167.259 > 8 24 Er 0.92307587830613 0.91666666666667 0.38985182138425 167.259 > 8 25 Er 0.42283661804770 0.25000000000000 0.61149433159641 167.259 > 9 26 Er 0.42283661804770 0.58333333333333 0.61149433159641 167.259 > 9 27 Er 0.42283661804770 0.91666666666667 0.61149433159641 167.259 > 9 28 Er 0.07716338195230 0.08333333333333 0.11149433159641 167.259 > 10 29 Er 0.07716338195230 0.41666666666667 0.11149433159641 167.259 > 10 30 Er 0.07716338195230 0.75000000000000 0.11149433159641 167.259 > 10 31 Er 0.42307587830613 0.25000000000000 0.11014817861575 167.259 > 11 32 Er 0.42307587830613 0.58333333333333 0.11014817861575 167.259 > 11 33 Er 0.42307587830613 0.91666666666667 0.11014817861575 167.259 > 11 34 Er 0.92283661804770 0.25000000000000 0.88850566840359 167.259 > 12 35 Er 0.92283661804770 0.58333333333333 0.88850566840359 167.259 > 12 36 Er 0.92283661804770 0.91666666666667 0.88850566840359 167.259 > 12 *37 O 0.48485456323468 0.08333333333333 0.21663685640016 15.999 > 13 38 O 0.48485456323468 0.41666666666667 0.21663685640016 15.999 > 13 39 O 0.48485456323468 0.75000000000000 0.21663685640016 15.999 > 13 *40 O 0.62490257866853 0.25000000000000 0.01945187543860 15.999 > 14 41 O 0.62490257866853 0.58333333333333 0.01945187543860 15.999 > 14 42 O 0.62490257866853 0.91666666666667 0.01945187543860 15.999 > 14 *43 O 0.21139946714586 0.25000000000000 0.17315953825002 15.999 > 15 44 O 0.21139946714586 0.58333333333333 0.17315953825002 15.999 > 15 45 O 0.21139946714586 0.91666666666667 0.17315953825002 15.999 > 15 46 O 0.78860053285414 0.08333333333333 0.82684046174998 15.999 > 16 47 O 0.78860053285414 0.41666666666667 0.82684046174998 15.999 > 16 48 O 0.78860053285414 0.75000000000000 0.82684046174998 15.999 > 16 49 O 0.37509742133147 0.08333333333333 0.98054812456140 15.999 > 17 50 O 0.37509742133147 0.41666666666667 0.98054812456140 15.999 > 17 51 O 0.37509742133147 0.75000000000000 0.98054812456140 15.999 > 17 52 O 0.01514543676532 0.25000000000000 0.71663685640016 15.999 > 18 53 O 0.01514543676532 0.58333333333333 0.71663685640016 15.999 > 18 54 O 0.01514543676532 0.91666666666667 0.71663685640016 15.999 > 18 55 O 0.12490257866853 0.25000000000000 0.48054812456140 15.999 > 19 56 O 0.12490257866853 0.58333333333333 0.48054812456140 15.999 > 19 57 O 0.12490257866853 0.91666666666667 0.48054812456140 15.999 > 19 *58 O 0.42616326297337 0.25000000000000 0.42252121391300 15.999 > 20 59 O 0.42616326297337 0.58333333333333 0.42252121391300 15.999 > 20 60 O 0.42616326297337 0.91666666666667 0.42252121391300 15.999 > 20 61 O 0.07383673702663 0.08333333333333 0.92252121391300 15.999 > 21 62 O 0.07383673702663 0.41666666666667 0.92252121391300 15.999 > 21 63 O 0.07383673702663 0.75000000000000 0.92252121391300 15.999 > 21 64 O 0.87509742133147 0.08333333333333 0.51945187543860 15.999 > 22 65 O 0.87509742133147 0.41666666666667 0.51945187543860 15.999 > 22 66 O 0.87509742133147 0.75000000000000 0.51945187543860 15.999 > 22 67 O 0.28860053285414 0.08333333333333 0.67315953825002 15.999 > 23 68 O 0.28860053285414 0.41666666666667 0.67315953825002 15.999 > 23 69 O 0.28860053285414 0.75000000000000 0.67315953825002 15.999 > 23 70 O 0.71139946714586 0.25000000000000 0.32684046174998 15.999 > 24 71 O 0.71139946714586 0.58333333333333 0.32684046174998 15.999 > 24 72 O 0.71139946714586 0.91666666666667 0.32684046174998 15.999 > 24 73 O 0.57383673702663 0.08333333333333 0.57747878608700 15.999 > 25 74 O 0.57383673702663 0.41666666666667 0.57747878608700 15.999 > 25 75 O 0.57383673702663 0.75000000000000 0.57747878608700 15.999 > 25 76 O 0.92616326297337 0.25000000000000 0.07747878608700 15.999 > 26 77 O 0.92616326297337 0.58333333333333 0.07747878608700 15.999 > 26 78 O 0.92616326297337 0.91666666666667 0.07747878608700 15.999 > 26 79 O 0.51514543676532 0.25000000000000 0.78336314359984 15.999 > 27 80 O 0.51514543676532 0.58333333333333 0.78336314359984 15.999 > 27 81 O 0.51514543676532 0.91666666666667 0.78336314359984 15.999 > 27 82 O 0.98485456323468 0.08333333333333 0.28336314359984 15.999 > 28 83 O 0.98485456323468 0.41666666666667 0.28336314359984 15.999 > 28 84 O 0.98485456323468 0.75000000000000 0.28336314359984 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0999423 0.0000000 0.0000000 0.0000000 4.3208346 0.0000000 0.0000000 0.0000000 4.1970811 -------------------------- Born effective charges -------------------------- 1 Sr 2.7345911 0.0000000 0.0441327 0.0000000 2.4679027 0.0000000 0.0657022 0.0000000 2.5520774 2 Sr 2.7345911 0.0000000 -0.0441327 0.0000000 2.4679027 0.0000000 -0.0657022 0.0000000 2.5520774 3 Sr 2.7345911 0.0000000 0.0441327 0.0000000 2.4679027 0.0000000 0.0657022 0.0000000 2.5520774 4 Sr 2.7345911 0.0000000 -0.0441327 0.0000000 2.4679027 0.0000000 -0.0657022 0.0000000 2.5520774 5 Er 3.4571290 0.0000000 -0.2282565 0.0000000 4.1519749 0.0000000 -0.1325629 0.0000000 3.5195655 6 Er 3.4571290 0.0000000 0.2282565 0.0000000 4.1519749 0.0000000 0.1325629 0.0000000 3.5195655 7 Er 3.4142318 0.0000000 -0.1809835 0.0000000 3.9580603 0.0000000 -0.0778973 0.0000000 3.9462596 8 Er 3.4571290 0.0000000 0.2282565 0.0000000 4.1519749 0.0000000 0.1325629 0.0000000 3.5195655 9 Er 3.4142318 0.0000000 -0.1809835 0.0000000 3.9580603 0.0000000 -0.0778973 0.0000000 3.9462596 10 Er 3.4142318 0.0000000 0.1809835 0.0000000 3.9580603 0.0000000 0.0778973 0.0000000 3.9462596 11 Er 3.4571290 0.0000000 -0.2282565 0.0000000 4.1519749 0.0000000 -0.1325629 0.0000000 3.5195655 12 Er 3.4142318 0.0000000 0.1809835 0.0000000 3.9580603 0.0000000 0.0778973 0.0000000 3.9462596 13 O -1.9921616 0.0000000 -0.3920845 0.0000000 -2.5937382 0.0000000 -0.5471486 0.0000000 -3.0210702 14 O -2.3640901 0.0000000 -0.0203054 0.0000000 -2.6344685 0.0000000 0.0205394 0.0000000 -2.4925007 15 O -2.8883669 0.0000000 -0.0482306 0.0000000 -2.6627644 0.0000000 -0.0582056 0.0000000 -2.0405772 16 O -2.8883669 0.0000000 -0.0482306 0.0000000 -2.6627644 0.0000000 -0.0582056 0.0000000 -2.0405772 17 O -2.3640901 0.0000000 -0.0203054 0.0000000 -2.6344685 0.0000000 0.0205394 0.0000000 -2.4925007 18 O -1.9921616 0.0000000 0.3920845 0.0000000 -2.5937382 0.0000000 0.5471486 0.0000000 -3.0210702 19 O -2.3640901 0.0000000 0.0203054 0.0000000 -2.6344685 0.0000000 -0.0205394 0.0000000 -2.4925007 20 O -2.3613332 0.0000000 -0.0089344 0.0000000 -2.6869667 0.0000000 0.1043780 0.0000000 -2.4637544 21 O -2.3613332 0.0000000 0.0089344 0.0000000 -2.6869667 0.0000000 -0.1043780 0.0000000 -2.4637544 22 O -2.3640901 0.0000000 0.0203054 0.0000000 -2.6344685 0.0000000 -0.0205394 0.0000000 -2.4925007 23 O -2.8883669 0.0000000 0.0482306 0.0000000 -2.6627644 0.0000000 0.0582056 0.0000000 -2.0405772 24 O -2.8883669 0.0000000 0.0482306 0.0000000 -2.6627644 0.0000000 0.0582056 0.0000000 -2.0405772 25 O -2.3613332 0.0000000 -0.0089344 0.0000000 -2.6869667 0.0000000 0.1043780 0.0000000 -2.4637544 26 O -2.3613332 0.0000000 0.0089344 0.0000000 -2.6869667 0.0000000 -0.1043780 0.0000000 -2.4637544 27 O -1.9921616 0.0000000 -0.3920845 0.0000000 -2.5937382 0.0000000 -0.5471486 0.0000000 -3.0210702 28 O -1.9921616 0.0000000 0.3920845 0.0000000 -2.5937382 0.0000000 0.5471486 0.0000000 -3.0210702 ---------------------------------------------------------------------------- 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): 0.001 Solver_block: 100 / 480 - Time: 0.252 Solver_block: 200 / 480 - Time: 0.231 Solver_block: 300 / 480 - Time: 0.231 Solver_block: 400 / 480 - Time: 0.232 Solver_block: 480 / 480 - Time: 0.212 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.183 --------------------------------- 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 15:52:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:52:03]------------------------- Compiled with OpenMP support (max 48 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 9.928496730000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.355192290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.746389600000001 Atomic positions (fractional): 1 Sr 0.25239792732644 0.75000000000000 0.84979608435107 87.620 2 Sr 0.75239792732644 0.75000000000000 0.65020391564893 87.620 3 Sr 0.74760207267356 0.25000000000000 0.15020391564893 87.620 4 Sr 0.24760207267356 0.25000000000000 0.34979608435107 87.620 5 Er 0.57692412169387 0.25000000000000 0.88985182138425 167.259 6 Er 0.07692412169387 0.25000000000000 0.61014817861575 167.259 7 Er 0.57716338195230 0.25000000000000 0.38850566840359 167.259 8 Er 0.92307587830613 0.75000000000000 0.38985182138425 167.259 9 Er 0.42283661804770 0.75000000000000 0.61149433159641 167.259 10 Er 0.07716338195230 0.25000000000000 0.11149433159641 167.259 11 Er 0.42307587830613 0.75000000000000 0.11014817861575 167.259 12 Er 0.92283661804770 0.75000000000000 0.88850566840359 167.259 13 O 0.48485456323468 0.25000000000000 0.21663685640016 15.999 14 O 0.62490257866853 0.75000000000000 0.01945187543860 15.999 15 O 0.21139946714586 0.75000000000000 0.17315953825002 15.999 16 O 0.78860053285414 0.25000000000000 0.82684046174998 15.999 17 O 0.37509742133147 0.25000000000000 0.98054812456140 15.999 18 O 0.01514543676532 0.75000000000000 0.71663685640016 15.999 19 O 0.12490257866853 0.75000000000000 0.48054812456140 15.999 20 O 0.42616326297337 0.75000000000000 0.42252121391300 15.999 21 O 0.07383673702663 0.25000000000000 0.92252121391300 15.999 22 O 0.87509742133147 0.25000000000000 0.51945187543860 15.999 23 O 0.28860053285414 0.25000000000000 0.67315953825002 15.999 24 O 0.71139946714586 0.75000000000000 0.32684046174998 15.999 25 O 0.57383673702663 0.25000000000000 0.57747878608700 15.999 26 O 0.92616326297337 0.75000000000000 0.07747878608700 15.999 27 O 0.51514543676532 0.75000000000000 0.78336314359984 15.999 28 O 0.98485456323468 0.25000000000000 0.28336314359984 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.928496730000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.065576870000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.746389600000001 Atomic positions (fractional): 1 Sr 0.25239792732644 0.25000000000000 0.84979608435107 87.620 > 1 2 Sr 0.25239792732644 0.58333333333333 0.84979608435107 87.620 > 1 3 Sr 0.25239792732644 0.91666666666667 0.84979608435107 87.620 > 1 4 Sr 0.75239792732644 0.25000000000000 0.65020391564893 87.620 > 4 5 Sr 0.75239792732644 0.58333333333333 0.65020391564893 87.620 > 4 6 Sr 0.75239792732644 0.91666666666667 0.65020391564893 87.620 > 4 7 Sr 0.74760207267356 0.08333333333333 0.15020391564893 87.620 > 7 8 Sr 0.74760207267356 0.41666666666667 0.15020391564893 87.620 > 7 9 Sr 0.74760207267356 0.75000000000000 0.15020391564893 87.620 > 7 10 Sr 0.24760207267356 0.08333333333333 0.34979608435107 87.620 > 10 11 Sr 0.24760207267356 0.41666666666667 0.34979608435107 87.620 > 10 12 Sr 0.24760207267356 0.75000000000000 0.34979608435107 87.620 > 10 13 Er 0.57692412169387 0.08333333333333 0.88985182138425 167.259 > 13 14 Er 0.57692412169387 0.41666666666667 0.88985182138425 167.259 > 13 15 Er 0.57692412169387 0.75000000000000 0.88985182138425 167.259 > 13 16 Er 0.07692412169387 0.08333333333333 0.61014817861575 167.259 > 16 17 Er 0.07692412169387 0.41666666666667 0.61014817861575 167.259 > 16 18 Er 0.07692412169387 0.75000000000000 0.61014817861575 167.259 > 16 19 Er 0.57716338195230 0.08333333333333 0.38850566840359 167.259 > 19 20 Er 0.57716338195230 0.41666666666667 0.38850566840359 167.259 > 19 21 Er 0.57716338195230 0.75000000000000 0.38850566840359 167.259 > 19 22 Er 0.92307587830613 0.25000000000000 0.38985182138425 167.259 > 22 23 Er 0.92307587830613 0.58333333333333 0.38985182138425 167.259 > 22 24 Er 0.92307587830613 0.91666666666667 0.38985182138425 167.259 > 22 25 Er 0.42283661804770 0.25000000000000 0.61149433159641 167.259 > 25 26 Er 0.42283661804770 0.58333333333333 0.61149433159641 167.259 > 25 27 Er 0.42283661804770 0.91666666666667 0.61149433159641 167.259 > 25 28 Er 0.07716338195230 0.08333333333333 0.11149433159641 167.259 > 28 29 Er 0.07716338195230 0.41666666666667 0.11149433159641 167.259 > 28 30 Er 0.07716338195230 0.75000000000000 0.11149433159641 167.259 > 28 31 Er 0.42307587830613 0.25000000000000 0.11014817861575 167.259 > 31 32 Er 0.42307587830613 0.58333333333333 0.11014817861575 167.259 > 31 33 Er 0.42307587830613 0.91666666666667 0.11014817861575 167.259 > 31 34 Er 0.92283661804770 0.25000000000000 0.88850566840359 167.259 > 34 35 Er 0.92283661804770 0.58333333333333 0.88850566840359 167.259 > 34 36 Er 0.92283661804770 0.91666666666667 0.88850566840359 167.259 > 34 37 O 0.48485456323468 0.08333333333333 0.21663685640016 15.999 > 37 38 O 0.48485456323468 0.41666666666667 0.21663685640016 15.999 > 37 39 O 0.48485456323468 0.75000000000000 0.21663685640016 15.999 > 37 40 O 0.62490257866853 0.25000000000000 0.01945187543860 15.999 > 40 41 O 0.62490257866853 0.58333333333333 0.01945187543860 15.999 > 40 42 O 0.62490257866853 0.91666666666667 0.01945187543860 15.999 > 40 43 O 0.21139946714586 0.25000000000000 0.17315953825002 15.999 > 43 44 O 0.21139946714586 0.58333333333333 0.17315953825002 15.999 > 43 45 O 0.21139946714586 0.91666666666667 0.17315953825002 15.999 > 43 46 O 0.78860053285414 0.08333333333333 0.82684046174998 15.999 > 46 47 O 0.78860053285414 0.41666666666667 0.82684046174998 15.999 > 46 48 O 0.78860053285414 0.75000000000000 0.82684046174998 15.999 > 46 49 O 0.37509742133147 0.08333333333333 0.98054812456140 15.999 > 49 50 O 0.37509742133147 0.41666666666667 0.98054812456140 15.999 > 49 51 O 0.37509742133147 0.75000000000000 0.98054812456140 15.999 > 49 52 O 0.01514543676532 0.25000000000000 0.71663685640016 15.999 > 52 53 O 0.01514543676532 0.58333333333333 0.71663685640016 15.999 > 52 54 O 0.01514543676532 0.91666666666667 0.71663685640016 15.999 > 52 55 O 0.12490257866853 0.25000000000000 0.48054812456140 15.999 > 55 56 O 0.12490257866853 0.58333333333333 0.48054812456140 15.999 > 55 57 O 0.12490257866853 0.91666666666667 0.48054812456140 15.999 > 55 58 O 0.42616326297337 0.25000000000000 0.42252121391300 15.999 > 58 59 O 0.42616326297337 0.58333333333333 0.42252121391300 15.999 > 58 60 O 0.42616326297337 0.91666666666667 0.42252121391300 15.999 > 58 61 O 0.07383673702663 0.08333333333333 0.92252121391300 15.999 > 61 62 O 0.07383673702663 0.41666666666667 0.92252121391300 15.999 > 61 63 O 0.07383673702663 0.75000000000000 0.92252121391300 15.999 > 61 64 O 0.87509742133147 0.08333333333333 0.51945187543860 15.999 > 64 65 O 0.87509742133147 0.41666666666667 0.51945187543860 15.999 > 64 66 O 0.87509742133147 0.75000000000000 0.51945187543860 15.999 > 64 67 O 0.28860053285414 0.08333333333333 0.67315953825002 15.999 > 67 68 O 0.28860053285414 0.41666666666667 0.67315953825002 15.999 > 67 69 O 0.28860053285414 0.75000000000000 0.67315953825002 15.999 > 67 70 O 0.71139946714586 0.25000000000000 0.32684046174998 15.999 > 70 71 O 0.71139946714586 0.58333333333333 0.32684046174998 15.999 > 70 72 O 0.71139946714586 0.91666666666667 0.32684046174998 15.999 > 70 73 O 0.57383673702663 0.08333333333333 0.57747878608700 15.999 > 73 74 O 0.57383673702663 0.41666666666667 0.57747878608700 15.999 > 73 75 O 0.57383673702663 0.75000000000000 0.57747878608700 15.999 > 73 76 O 0.92616326297337 0.25000000000000 0.07747878608700 15.999 > 76 77 O 0.92616326297337 0.58333333333333 0.07747878608700 15.999 > 76 78 O 0.92616326297337 0.91666666666667 0.07747878608700 15.999 > 76 79 O 0.51514543676532 0.25000000000000 0.78336314359984 15.999 > 79 80 O 0.51514543676532 0.58333333333333 0.78336314359984 15.999 > 79 81 O 0.51514543676532 0.91666666666667 0.78336314359984 15.999 > 79 82 O 0.98485456323468 0.08333333333333 0.28336314359984 15.999 > 82 83 O 0.98485456323468 0.41666666666667 0.28336314359984 15.999 > 82 84 O 0.98485456323468 0.75000000000000 0.28336314359984 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0999423 0.0000000 0.0000000 0.0000000 4.3208346 0.0000000 0.0000000 0.0000000 4.1970811 -------------------------- Born effective charges -------------------------- 1 Sr 2.7345911 0.0000000 0.0441327 0.0000000 2.4679027 0.0000000 0.0657022 0.0000000 2.5520774 2 Sr 2.7345911 0.0000000 -0.0441327 0.0000000 2.4679027 0.0000000 -0.0657022 0.0000000 2.5520774 3 Sr 2.7345911 0.0000000 0.0441327 0.0000000 2.4679027 0.0000000 0.0657022 0.0000000 2.5520774 4 Sr 2.7345911 0.0000000 -0.0441327 0.0000000 2.4679027 0.0000000 -0.0657022 0.0000000 2.5520774 5 Er 3.4571290 0.0000000 -0.2282565 0.0000000 4.1519749 0.0000000 -0.1325629 0.0000000 3.5195655 6 Er 3.4571290 0.0000000 0.2282565 0.0000000 4.1519749 0.0000000 0.1325629 0.0000000 3.5195655 7 Er 3.4142318 0.0000000 -0.1809835 0.0000000 3.9580603 0.0000000 -0.0778973 0.0000000 3.9462596 8 Er 3.4571290 0.0000000 0.2282565 0.0000000 4.1519749 0.0000000 0.1325629 0.0000000 3.5195655 9 Er 3.4142318 0.0000000 -0.1809835 0.0000000 3.9580603 0.0000000 -0.0778973 0.0000000 3.9462596 10 Er 3.4142318 0.0000000 0.1809835 0.0000000 3.9580603 0.0000000 0.0778973 0.0000000 3.9462596 11 Er 3.4571290 0.0000000 -0.2282565 0.0000000 4.1519749 0.0000000 -0.1325629 0.0000000 3.5195655 12 Er 3.4142318 0.0000000 0.1809835 0.0000000 3.9580603 0.0000000 0.0778973 0.0000000 3.9462596 13 O -1.9921616 0.0000000 -0.3920845 0.0000000 -2.5937382 0.0000000 -0.5471486 0.0000000 -3.0210702 14 O -2.3640901 0.0000000 -0.0203054 0.0000000 -2.6344685 0.0000000 0.0205394 0.0000000 -2.4925007 15 O -2.8883669 0.0000000 -0.0482306 0.0000000 -2.6627644 0.0000000 -0.0582056 0.0000000 -2.0405772 16 O -2.8883669 0.0000000 -0.0482306 0.0000000 -2.6627644 0.0000000 -0.0582056 0.0000000 -2.0405772 17 O -2.3640901 0.0000000 -0.0203054 0.0000000 -2.6344685 0.0000000 0.0205394 0.0000000 -2.4925007 18 O -1.9921616 0.0000000 0.3920845 0.0000000 -2.5937382 0.0000000 0.5471486 0.0000000 -3.0210702 19 O -2.3640901 0.0000000 0.0203054 0.0000000 -2.6344685 0.0000000 -0.0205394 0.0000000 -2.4925007 20 O -2.3613332 0.0000000 -0.0089344 0.0000000 -2.6869667 0.0000000 0.1043780 0.0000000 -2.4637544 21 O -2.3613332 0.0000000 0.0089344 0.0000000 -2.6869667 0.0000000 -0.1043780 0.0000000 -2.4637544 22 O -2.3640901 0.0000000 0.0203054 0.0000000 -2.6344685 0.0000000 -0.0205394 0.0000000 -2.4925007 23 O -2.8883669 0.0000000 0.0482306 0.0000000 -2.6627644 0.0000000 0.0582056 0.0000000 -2.0405772 24 O -2.8883669 0.0000000 0.0482306 0.0000000 -2.6627644 0.0000000 0.0582056 0.0000000 -2.0405772 25 O -2.3613332 0.0000000 -0.0089344 0.0000000 -2.6869667 0.0000000 0.1043780 0.0000000 -2.4637544 26 O -2.3613332 0.0000000 0.0089344 0.0000000 -2.6869667 0.0000000 -0.1043780 0.0000000 -2.4637544 27 O -1.9921616 0.0000000 -0.3920845 0.0000000 -2.5937382 0.0000000 -0.5471486 0.0000000 -3.0210702 28 O -1.9921616 0.0000000 0.3920845 0.0000000 -2.5937382 0.0000000 0.5471486 0.0000000 -3.0210702 ---------------------------------------------------------------------------- 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[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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[ 58, 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 15:52:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:52:16]------------------------- Compiled with OpenMP support (max 48 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 9.928496730000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.355192290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.746389600000001 Atomic positions (fractional): 1 Sr 0.25239792732644 0.75000000000000 0.84979608435107 87.620 2 Sr 0.75239792732644 0.75000000000000 0.65020391564893 87.620 3 Sr 0.74760207267356 0.25000000000000 0.15020391564893 87.620 4 Sr 0.24760207267356 0.25000000000000 0.34979608435107 87.620 5 Er 0.57692412169387 0.25000000000000 0.88985182138425 167.259 6 Er 0.07692412169387 0.25000000000000 0.61014817861575 167.259 7 Er 0.57716338195230 0.25000000000000 0.38850566840359 167.259 8 Er 0.92307587830613 0.75000000000000 0.38985182138425 167.259 9 Er 0.42283661804770 0.75000000000000 0.61149433159641 167.259 10 Er 0.07716338195230 0.25000000000000 0.11149433159641 167.259 11 Er 0.42307587830613 0.75000000000000 0.11014817861575 167.259 12 Er 0.92283661804770 0.75000000000000 0.88850566840359 167.259 13 O 0.48485456323468 0.25000000000000 0.21663685640016 15.999 14 O 0.62490257866853 0.75000000000000 0.01945187543860 15.999 15 O 0.21139946714586 0.75000000000000 0.17315953825002 15.999 16 O 0.78860053285414 0.25000000000000 0.82684046174998 15.999 17 O 0.37509742133147 0.25000000000000 0.98054812456140 15.999 18 O 0.01514543676532 0.75000000000000 0.71663685640016 15.999 19 O 0.12490257866853 0.75000000000000 0.48054812456140 15.999 20 O 0.42616326297337 0.75000000000000 0.42252121391300 15.999 21 O 0.07383673702663 0.25000000000000 0.92252121391300 15.999 22 O 0.87509742133147 0.25000000000000 0.51945187543860 15.999 23 O 0.28860053285414 0.25000000000000 0.67315953825002 15.999 24 O 0.71139946714586 0.75000000000000 0.32684046174998 15.999 25 O 0.57383673702663 0.25000000000000 0.57747878608700 15.999 26 O 0.92616326297337 0.75000000000000 0.07747878608700 15.999 27 O 0.51514543676532 0.75000000000000 0.78336314359984 15.999 28 O 0.98485456323468 0.25000000000000 0.28336314359984 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.928496730000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.065576870000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.746389600000001 Atomic positions (fractional): 1 Sr 0.25239792732644 0.25000000000000 0.84979608435107 87.620 > 1 2 Sr 0.25239792732644 0.58333333333333 0.84979608435107 87.620 > 1 3 Sr 0.25239792732644 0.91666666666667 0.84979608435107 87.620 > 1 4 Sr 0.75239792732644 0.25000000000000 0.65020391564893 87.620 > 4 5 Sr 0.75239792732644 0.58333333333333 0.65020391564893 87.620 > 4 6 Sr 0.75239792732644 0.91666666666667 0.65020391564893 87.620 > 4 7 Sr 0.74760207267356 0.08333333333333 0.15020391564893 87.620 > 7 8 Sr 0.74760207267356 0.41666666666667 0.15020391564893 87.620 > 7 9 Sr 0.74760207267356 0.75000000000000 0.15020391564893 87.620 > 7 10 Sr 0.24760207267356 0.08333333333333 0.34979608435107 87.620 > 10 11 Sr 0.24760207267356 0.41666666666667 0.34979608435107 87.620 > 10 12 Sr 0.24760207267356 0.75000000000000 0.34979608435107 87.620 > 10 13 Er 0.57692412169387 0.08333333333333 0.88985182138425 167.259 > 13 14 Er 0.57692412169387 0.41666666666667 0.88985182138425 167.259 > 13 15 Er 0.57692412169387 0.75000000000000 0.88985182138425 167.259 > 13 16 Er 0.07692412169387 0.08333333333333 0.61014817861575 167.259 > 16 17 Er 0.07692412169387 0.41666666666667 0.61014817861575 167.259 > 16 18 Er 0.07692412169387 0.75000000000000 0.61014817861575 167.259 > 16 19 Er 0.57716338195230 0.08333333333333 0.38850566840359 167.259 > 19 20 Er 0.57716338195230 0.41666666666667 0.38850566840359 167.259 > 19 21 Er 0.57716338195230 0.75000000000000 0.38850566840359 167.259 > 19 22 Er 0.92307587830613 0.25000000000000 0.38985182138425 167.259 > 22 23 Er 0.92307587830613 0.58333333333333 0.38985182138425 167.259 > 22 24 Er 0.92307587830613 0.91666666666667 0.38985182138425 167.259 > 22 25 Er 0.42283661804770 0.25000000000000 0.61149433159641 167.259 > 25 26 Er 0.42283661804770 0.58333333333333 0.61149433159641 167.259 > 25 27 Er 0.42283661804770 0.91666666666667 0.61149433159641 167.259 > 25 28 Er 0.07716338195230 0.08333333333333 0.11149433159641 167.259 > 28 29 Er 0.07716338195230 0.41666666666667 0.11149433159641 167.259 > 28 30 Er 0.07716338195230 0.75000000000000 0.11149433159641 167.259 > 28 31 Er 0.42307587830613 0.25000000000000 0.11014817861575 167.259 > 31 32 Er 0.42307587830613 0.58333333333333 0.11014817861575 167.259 > 31 33 Er 0.42307587830613 0.91666666666667 0.11014817861575 167.259 > 31 34 Er 0.92283661804770 0.25000000000000 0.88850566840359 167.259 > 34 35 Er 0.92283661804770 0.58333333333333 0.88850566840359 167.259 > 34 36 Er 0.92283661804770 0.91666666666667 0.88850566840359 167.259 > 34 37 O 0.48485456323468 0.08333333333333 0.21663685640016 15.999 > 37 38 O 0.48485456323468 0.41666666666667 0.21663685640016 15.999 > 37 39 O 0.48485456323468 0.75000000000000 0.21663685640016 15.999 > 37 40 O 0.62490257866853 0.25000000000000 0.01945187543860 15.999 > 40 41 O 0.62490257866853 0.58333333333333 0.01945187543860 15.999 > 40 42 O 0.62490257866853 0.91666666666667 0.01945187543860 15.999 > 40 43 O 0.21139946714586 0.25000000000000 0.17315953825002 15.999 > 43 44 O 0.21139946714586 0.58333333333333 0.17315953825002 15.999 > 43 45 O 0.21139946714586 0.91666666666667 0.17315953825002 15.999 > 43 46 O 0.78860053285414 0.08333333333333 0.82684046174998 15.999 > 46 47 O 0.78860053285414 0.41666666666667 0.82684046174998 15.999 > 46 48 O 0.78860053285414 0.75000000000000 0.82684046174998 15.999 > 46 49 O 0.37509742133147 0.08333333333333 0.98054812456140 15.999 > 49 50 O 0.37509742133147 0.41666666666667 0.98054812456140 15.999 > 49 51 O 0.37509742133147 0.75000000000000 0.98054812456140 15.999 > 49 52 O 0.01514543676532 0.25000000000000 0.71663685640016 15.999 > 52 53 O 0.01514543676532 0.58333333333333 0.71663685640016 15.999 > 52 54 O 0.01514543676532 0.91666666666667 0.71663685640016 15.999 > 52 55 O 0.12490257866853 0.25000000000000 0.48054812456140 15.999 > 55 56 O 0.12490257866853 0.58333333333333 0.48054812456140 15.999 > 55 57 O 0.12490257866853 0.91666666666667 0.48054812456140 15.999 > 55 58 O 0.42616326297337 0.25000000000000 0.42252121391300 15.999 > 58 59 O 0.42616326297337 0.58333333333333 0.42252121391300 15.999 > 58 60 O 0.42616326297337 0.91666666666667 0.42252121391300 15.999 > 58 61 O 0.07383673702663 0.08333333333333 0.92252121391300 15.999 > 61 62 O 0.07383673702663 0.41666666666667 0.92252121391300 15.999 > 61 63 O 0.07383673702663 0.75000000000000 0.92252121391300 15.999 > 61 64 O 0.87509742133147 0.08333333333333 0.51945187543860 15.999 > 64 65 O 0.87509742133147 0.41666666666667 0.51945187543860 15.999 > 64 66 O 0.87509742133147 0.75000000000000 0.51945187543860 15.999 > 64 67 O 0.28860053285414 0.08333333333333 0.67315953825002 15.999 > 67 68 O 0.28860053285414 0.41666666666667 0.67315953825002 15.999 > 67 69 O 0.28860053285414 0.75000000000000 0.67315953825002 15.999 > 67 70 O 0.71139946714586 0.25000000000000 0.32684046174998 15.999 > 70 71 O 0.71139946714586 0.58333333333333 0.32684046174998 15.999 > 70 72 O 0.71139946714586 0.91666666666667 0.32684046174998 15.999 > 70 73 O 0.57383673702663 0.08333333333333 0.57747878608700 15.999 > 73 74 O 0.57383673702663 0.41666666666667 0.57747878608700 15.999 > 73 75 O 0.57383673702663 0.75000000000000 0.57747878608700 15.999 > 73 76 O 0.92616326297337 0.25000000000000 0.07747878608700 15.999 > 76 77 O 0.92616326297337 0.58333333333333 0.07747878608700 15.999 > 76 78 O 0.92616326297337 0.91666666666667 0.07747878608700 15.999 > 76 79 O 0.51514543676532 0.25000000000000 0.78336314359984 15.999 > 79 80 O 0.51514543676532 0.58333333333333 0.78336314359984 15.999 > 79 81 O 0.51514543676532 0.91666666666667 0.78336314359984 15.999 > 79 82 O 0.98485456323468 0.08333333333333 0.28336314359984 15.999 > 82 83 O 0.98485456323468 0.41666666666667 0.28336314359984 15.999 > 82 84 O 0.98485456323468 0.75000000000000 0.28336314359984 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0999423 0.0000000 0.0000000 0.0000000 4.3208346 0.0000000 0.0000000 0.0000000 4.1970811 -------------------------- Born effective charges -------------------------- 1 Sr 2.7345911 0.0000000 0.0441327 0.0000000 2.4679027 0.0000000 0.0657022 0.0000000 2.5520774 2 Sr 2.7345911 0.0000000 -0.0441327 0.0000000 2.4679027 0.0000000 -0.0657022 0.0000000 2.5520774 3 Sr 2.7345911 0.0000000 0.0441327 0.0000000 2.4679027 0.0000000 0.0657022 0.0000000 2.5520774 4 Sr 2.7345911 0.0000000 -0.0441327 0.0000000 2.4679027 0.0000000 -0.0657022 0.0000000 2.5520774 5 Er 3.4571290 0.0000000 -0.2282565 0.0000000 4.1519749 0.0000000 -0.1325629 0.0000000 3.5195655 6 Er 3.4571290 0.0000000 0.2282565 0.0000000 4.1519749 0.0000000 0.1325629 0.0000000 3.5195655 7 Er 3.4142318 0.0000000 -0.1809835 0.0000000 3.9580603 0.0000000 -0.0778973 0.0000000 3.9462596 8 Er 3.4571290 0.0000000 0.2282565 0.0000000 4.1519749 0.0000000 0.1325629 0.0000000 3.5195655 9 Er 3.4142318 0.0000000 -0.1809835 0.0000000 3.9580603 0.0000000 -0.0778973 0.0000000 3.9462596 10 Er 3.4142318 0.0000000 0.1809835 0.0000000 3.9580603 0.0000000 0.0778973 0.0000000 3.9462596 11 Er 3.4571290 0.0000000 -0.2282565 0.0000000 4.1519749 0.0000000 -0.1325629 0.0000000 3.5195655 12 Er 3.4142318 0.0000000 0.1809835 0.0000000 3.9580603 0.0000000 0.0778973 0.0000000 3.9462596 13 O -1.9921616 0.0000000 -0.3920845 0.0000000 -2.5937382 0.0000000 -0.5471486 0.0000000 -3.0210702 14 O -2.3640901 0.0000000 -0.0203054 0.0000000 -2.6344685 0.0000000 0.0205394 0.0000000 -2.4925007 15 O -2.8883669 0.0000000 -0.0482306 0.0000000 -2.6627644 0.0000000 -0.0582056 0.0000000 -2.0405772 16 O -2.8883669 0.0000000 -0.0482306 0.0000000 -2.6627644 0.0000000 -0.0582056 0.0000000 -2.0405772 17 O -2.3640901 0.0000000 -0.0203054 0.0000000 -2.6344685 0.0000000 0.0205394 0.0000000 -2.4925007 18 O -1.9921616 0.0000000 0.3920845 0.0000000 -2.5937382 0.0000000 0.5471486 0.0000000 -3.0210702 19 O -2.3640901 0.0000000 0.0203054 0.0000000 -2.6344685 0.0000000 -0.0205394 0.0000000 -2.4925007 20 O -2.3613332 0.0000000 -0.0089344 0.0000000 -2.6869667 0.0000000 0.1043780 0.0000000 -2.4637544 21 O -2.3613332 0.0000000 0.0089344 0.0000000 -2.6869667 0.0000000 -0.1043780 0.0000000 -2.4637544 22 O -2.3640901 0.0000000 0.0203054 0.0000000 -2.6344685 0.0000000 -0.0205394 0.0000000 -2.4925007 23 O -2.8883669 0.0000000 0.0482306 0.0000000 -2.6627644 0.0000000 0.0582056 0.0000000 -2.0405772 24 O -2.8883669 0.0000000 0.0482306 0.0000000 -2.6627644 0.0000000 0.0582056 0.0000000 -2.0405772 25 O -2.3613332 0.0000000 -0.0089344 0.0000000 -2.6869667 0.0000000 0.1043780 0.0000000 -2.4637544 26 O -2.3613332 0.0000000 0.0089344 0.0000000 -2.6869667 0.0000000 -0.1043780 0.0000000 -2.4637544 27 O -1.9921616 0.0000000 -0.3920845 0.0000000 -2.5937382 0.0000000 -0.5471486 0.0000000 -3.0210702 28 O -1.9921616 0.0000000 0.3920845 0.0000000 -2.5937382 0.0000000 0.5471486 0.0000000 -3.0210702 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (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: 0.57, Number of G-points: 293, Lambda: 0.12 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: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 1.760 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 8.174 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.503 ( 0.000 0.000 0.000) 0.000 8.711 ( 0.000 0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 8.751 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 0.000) 0.000 9.669 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 10.209 ( 0.000 0.000 0.000) 0.000 10.536 ( 0.000 0.000 0.000) 0.000 10.608 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.706 ( 0.000 0.000 0.000) 0.000 11.271 ( 0.000 0.000 0.000) 0.000 11.316 ( 0.000 0.000 0.000) 0.000 11.380 ( 0.000 0.000 0.000) 0.000 11.468 ( 0.000 0.000 0.000) 0.000 11.610 ( 0.000 0.000 0.000) 0.000 12.290 ( 0.000 0.000 0.000) 0.000 12.603 ( 0.000 0.000 0.000) 0.000 12.781 ( 0.000 0.000 0.000) 0.000 12.804 ( 0.000 0.000 0.000) 0.000 12.834 ( 0.000 0.000 0.000) 0.000 12.836 ( 0.000 0.000 0.000) 0.000 13.119 ( 0.000 0.000 0.000) 0.000 13.155 ( 0.000 0.000 0.000) 0.000 13.336 ( 0.000 0.000 0.000) 0.000 14.107 ( 0.000 0.000 0.000) 0.000 14.164 ( 0.000 0.000 0.000) 0.000 14.376 ( 0.000 0.000 0.000) 0.000 14.595 ( 0.000 0.000 0.000) 0.000 16.136 ( 0.000 0.000 0.000) 0.000 16.386 ( 0.000 0.000 0.000) 0.000 16.649 ( 0.000 0.000 0.000) 0.000 17.773 ( 0.000 0.000 0.000) 0.000 17.933 ( 0.000 0.000 0.000) 0.000 18.141 ( 0.000 0.000 0.000) 0.000 18.381 ( 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: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.549 ( 26.756 0.000 0.000) 26.756 0.559 ( 27.167 0.000 0.000) 27.167 0.938 ( 46.182 0.000 0.000) 46.182 1.750 ( -2.988 0.000 0.000) 2.988 1.906 ( -13.634 0.000 0.000) 13.634 2.033 ( -8.066 0.000 0.000) 8.066 2.108 ( 13.097 0.000 0.000) 13.097 2.223 ( -5.556 0.000 0.000) 5.556 2.242 ( 0.420 0.000 0.000) 0.420 2.385 ( 3.577 0.000 0.000) 3.577 2.512 ( 2.859 0.000 0.000) 2.859 2.604 ( 2.140 0.000 0.000) 2.140 2.652 ( -2.772 0.000 0.000) 2.772 2.709 ( -4.886 0.000 0.000) 4.886 2.779 ( 2.677 0.000 0.000) 2.677 2.843 ( 0.961 0.000 0.000) 0.961 2.983 ( -1.426 0.000 0.000) 1.426 3.004 ( 4.562 0.000 0.000) 4.562 3.030 ( -3.197 0.000 0.000) 3.197 3.238 ( -1.959 0.000 0.000) 1.959 3.359 ( 2.218 0.000 0.000) 2.218 3.360 ( -1.571 0.000 0.000) 1.571 3.560 ( -14.147 0.000 0.000) 14.147 3.712 ( 2.792 0.000 0.000) 2.792 4.184 ( 7.220 0.000 0.000) 7.220 4.406 ( -14.059 0.000 0.000) 14.059 4.467 ( 10.179 0.000 0.000) 10.179 4.816 ( -14.561 0.000 0.000) 14.561 4.895 ( 0.752 0.000 0.000) 0.752 4.963 ( -5.992 0.000 0.000) 5.992 5.282 ( 5.770 0.000 0.000) 5.770 5.529 ( 0.533 0.000 0.000) 0.533 5.535 ( -5.442 0.000 0.000) 5.442 5.579 ( -3.498 0.000 0.000) 3.498 5.912 ( 6.080 0.000 0.000) 6.080 5.992 ( 2.437 0.000 0.000) 2.437 6.156 ( 4.366 0.000 0.000) 4.366 6.514 ( 12.244 0.000 0.000) 12.244 6.792 ( -15.598 0.000 0.000) 15.598 7.232 ( -2.191 0.000 0.000) 2.191 7.888 ( 1.458 0.000 0.000) 1.458 8.123 ( -4.510 0.000 0.000) 4.510 8.391 ( 5.226 0.000 0.000) 5.226 8.405 ( 3.874 0.000 0.000) 3.874 8.504 ( 0.142 0.000 0.000) 0.142 8.634 ( -4.918 0.000 0.000) 4.918 8.734 ( -1.694 0.000 0.000) 1.694 8.808 ( -3.118 0.000 0.000) 3.118 9.006 ( 9.262 0.000 0.000) 9.262 9.238 ( 5.869 0.000 0.000) 5.869 9.626 ( -3.903 0.000 0.000) 3.903 9.786 ( -4.084 0.000 0.000) 4.084 9.970 ( 19.439 0.000 0.000) 19.439 10.229 ( 2.656 0.000 0.000) 2.656 10.546 ( 0.973 0.000 0.000) 0.973 10.611 ( -0.592 0.000 0.000) 0.592 10.613 ( 1.280 0.000 0.000) 1.280 10.623 ( -6.870 0.000 0.000) 6.870 11.324 ( 0.738 0.000 0.000) 0.738 11.375 ( 7.018 0.000 0.000) 7.018 11.376 ( -0.448 0.000 0.000) 0.448 11.572 ( 8.622 0.000 0.000) 8.622 11.581 ( -0.201 0.000 0.000) 0.201 12.069 ( -17.661 0.000 0.000) 17.661 12.255 ( -3.651 0.000 0.000) 3.651 12.562 ( -8.801 0.000 0.000) 8.801 12.783 ( 0.170 0.000 0.000) 0.170 12.801 ( -0.248 0.000 0.000) 0.248 12.834 ( 0.026 0.000 0.000) 0.026 12.836 ( -0.007 0.000 0.000) 0.007 13.114 ( -0.141 0.000 0.000) 0.141 13.126 ( -0.900 0.000 0.000) 0.900 14.052 ( -0.750 0.000 0.000) 0.750 14.088 ( -1.622 0.000 0.000) 1.622 14.407 ( 2.763 0.000 0.000) 2.763 14.580 ( -1.520 0.000 0.000) 1.520 16.149 ( 5.816 0.000 0.000) 5.816 16.395 ( 0.475 0.000 0.000) 0.475 16.672 ( 2.050 0.000 0.000) 2.050 16.784 ( -0.837 0.000 0.000) 0.837 17.854 ( 0.840 0.000 0.000) 0.840 17.927 ( -0.588 0.000 0.000) 0.588 18.152 ( 0.963 0.000 0.000) 0.963 18.329 ( -4.517 0.000 0.000) 4.517 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.070 ( 24.743 0.000 0.000) 24.743 1.082 ( 24.371 0.000 0.000) 24.371 1.522 ( -18.510 0.000 0.000) 18.510 1.536 ( -21.050 0.000 0.000) 21.050 1.843 ( 41.975 0.000 0.000) 41.975 1.996 ( 3.542 0.000 0.000) 3.542 2.102 ( -6.140 0.000 0.000) 6.140 2.274 ( 2.015 0.000 0.000) 2.015 2.331 ( 4.038 0.000 0.000) 4.038 2.475 ( 5.320 0.000 0.000) 5.320 2.570 ( 2.584 0.000 0.000) 2.584 2.591 ( -5.781 0.000 0.000) 5.781 2.611 ( -1.509 0.000 0.000) 1.509 2.623 ( -27.189 0.000 0.000) 27.189 2.672 ( 7.790 0.000 0.000) 7.790 2.862 ( 4.461 0.000 0.000) 4.461 2.882 ( -10.348 0.000 0.000) 10.348 2.938 ( -3.021 0.000 0.000) 3.021 3.098 ( 4.567 0.000 0.000) 4.567 3.182 ( -3.584 0.000 0.000) 3.584 3.223 ( -2.011 0.000 0.000) 2.011 3.283 ( -5.969 0.000 0.000) 5.969 3.623 ( 15.152 0.000 0.000) 15.152 3.954 ( 6.979 0.000 0.000) 6.979 4.025 ( -7.597 0.000 0.000) 7.597 4.400 ( -20.160 0.000 0.000) 20.160 4.406 ( 11.251 0.000 0.000) 11.251 4.623 ( -6.523 0.000 0.000) 6.523 4.893 ( 4.501 0.000 0.000) 4.501 4.959 ( 2.321 0.000 0.000) 2.321 5.273 ( -3.447 0.000 0.000) 3.447 5.321 ( -8.571 0.000 0.000) 8.571 5.585 ( 3.386 0.000 0.000) 3.386 5.614 ( 0.784 0.000 0.000) 0.784 6.010 ( 3.309 0.000 0.000) 3.309 6.033 ( 0.920 0.000 0.000) 0.920 6.300 ( 8.783 0.000 0.000) 8.783 6.506 ( -12.141 0.000 0.000) 12.141 6.785 ( 14.364 0.000 0.000) 14.364 7.067 ( -12.577 0.000 0.000) 12.577 7.935 ( 3.335 0.000 0.000) 3.335 8.021 ( -5.029 0.000 0.000) 5.029 8.515 ( 1.118 0.000 0.000) 1.118 8.520 ( 7.284 0.000 0.000) 7.284 8.534 ( 7.613 0.000 0.000) 7.613 8.554 ( -2.892 0.000 0.000) 2.892 8.673 ( -4.595 0.000 0.000) 4.595 8.691 ( -7.737 0.000 0.000) 7.737 9.200 ( 9.196 0.000 0.000) 9.196 9.323 ( -0.669 0.000 0.000) 0.669 9.570 ( 1.158 0.000 0.000) 1.158 9.673 ( -6.620 0.000 0.000) 6.620 10.326 ( 6.512 0.000 0.000) 6.512 10.407 ( 19.039 0.000 0.000) 19.039 10.474 ( -6.815 0.000 0.000) 6.815 10.570 ( 1.270 0.000 0.000) 1.270 10.594 ( -1.053 0.000 0.000) 1.053 10.625 ( -2.079 0.000 0.000) 2.079 11.343 ( 1.042 0.000 0.000) 1.042 11.362 ( -0.864 0.000 0.000) 0.864 11.407 ( 0.997 0.000 0.000) 0.997 11.584 ( -13.681 0.000 0.000) 13.681 11.765 ( 14.897 0.000 0.000) 14.897 11.867 ( 4.397 0.000 0.000) 4.397 12.147 ( -5.848 0.000 0.000) 5.848 12.256 ( -17.516 0.000 0.000) 17.516 12.788 ( 0.309 0.000 0.000) 0.309 12.795 ( -0.356 0.000 0.000) 0.356 12.835 ( 0.037 0.000 0.000) 0.037 12.836 ( -0.027 0.000 0.000) 0.027 13.121 ( 0.753 0.000 0.000) 0.753 13.130 ( 0.222 0.000 0.000) 0.222 14.042 ( -0.046 0.000 0.000) 0.046 14.055 ( -1.324 0.000 0.000) 1.324 14.472 ( 3.406 0.000 0.000) 3.406 14.536 ( -2.765 0.000 0.000) 2.765 16.283 ( 6.456 0.000 0.000) 6.456 16.379 ( -2.671 0.000 0.000) 2.671 16.720 ( 2.375 0.000 0.000) 2.375 16.760 ( -1.590 0.000 0.000) 1.590 17.878 ( 1.474 0.000 0.000) 1.474 17.908 ( -1.341 0.000 0.000) 1.341 18.178 ( 1.745 0.000 0.000) 1.745 18.234 ( -4.058 0.000 0.000) 4.058 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.551 ( 0.000 27.539 0.000) 27.539 0.607 ( 0.000 30.042 0.000) 30.042 1.145 ( 0.000 56.939 0.000) 56.939 1.957 ( 0.000 3.413 0.000) 3.413 1.998 ( 0.000 21.801 0.000) 21.801 2.006 ( 0.000 5.256 0.000) 5.256 2.266 ( 0.000 2.253 0.000) 2.253 2.341 ( 0.000 16.759 0.000) 16.759 2.438 ( 0.000 8.168 0.000) 8.168 2.506 ( 0.000 18.911 0.000) 18.911 2.596 ( 0.000 11.020 0.000) 11.020 2.695 ( 0.000 9.555 0.000) 9.555 2.776 ( 0.000 11.639 0.000) 11.639 2.803 ( 0.000 0.745 0.000) 0.745 2.815 ( 0.000 5.604 0.000) 5.604 2.952 ( 0.000 15.085 0.000) 15.085 2.973 ( 0.000 12.306 0.000) 12.306 3.149 ( 0.000 13.609 0.000) 13.609 3.279 ( 0.000 -0.407 0.000) 0.407 3.303 ( 0.000 17.791 0.000) 17.791 3.368 ( 0.000 0.787 0.000) 0.787 3.447 ( 0.000 18.091 0.000) 18.091 3.739 ( 0.000 -1.009 0.000) 1.009 3.799 ( 0.000 4.323 0.000) 4.323 4.091 ( 0.000 4.447 0.000) 4.447 4.383 ( 0.000 4.439 0.000) 4.439 4.559 ( 0.000 1.234 0.000) 1.234 4.578 ( 0.000 -0.412 0.000) 0.412 4.939 ( 0.000 -2.588 0.000) 2.588 4.948 ( 0.000 -2.268 0.000) 2.268 5.007 ( 0.000 -2.697 0.000) 2.697 5.470 ( 0.000 -3.621 0.000) 3.621 5.522 ( 0.000 -1.354 0.000) 1.354 5.719 ( 0.000 -3.568 0.000) 3.568 5.771 ( 0.000 -0.636 0.000) 0.636 5.963 ( 0.000 -0.016 0.000) 0.016 6.145 ( 0.000 -0.378 0.000) 0.378 6.288 ( 0.000 -5.085 0.000) 5.085 6.804 ( 0.000 -2.525 0.000) 2.525 7.094 ( 0.000 -7.519 0.000) 7.519 8.230 ( 0.000 -2.358 0.000) 2.358 8.376 ( 0.000 14.847 0.000) 14.847 8.388 ( 0.000 2.190 0.000) 2.190 8.532 ( 0.000 5.178 0.000) 5.178 8.667 ( 0.000 -1.220 0.000) 1.220 8.707 ( 0.000 -3.544 0.000) 3.544 8.738 ( 0.000 -2.315 0.000) 2.315 8.862 ( 0.000 7.826 0.000) 7.826 9.122 ( 0.000 19.909 0.000) 19.909 9.355 ( 0.000 17.159 0.000) 17.159 9.709 ( 0.000 -3.287 0.000) 3.287 9.787 ( 0.000 10.767 0.000) 10.767 9.947 ( 0.000 10.489 0.000) 10.489 10.215 ( 0.000 0.815 0.000) 0.815 10.478 ( 0.000 -3.406 0.000) 3.406 10.610 ( 0.000 0.475 0.000) 0.475 10.637 ( 0.000 1.976 0.000) 1.976 10.784 ( 0.000 6.801 0.000) 6.801 11.112 ( 0.000 -10.641 0.000) 10.641 11.311 ( 0.000 -4.319 0.000) 4.319 11.372 ( 0.000 -0.835 0.000) 0.835 11.467 ( 0.000 0.085 0.000) 0.085 11.736 ( 0.000 10.746 0.000) 10.746 12.255 ( 0.000 -2.757 0.000) 2.757 12.383 ( 0.000 -4.947 0.000) 4.947 12.623 ( 0.000 1.454 0.000) 1.454 12.627 ( 0.000 -14.181 0.000) 14.181 12.746 ( 0.000 -7.441 0.000) 7.441 12.794 ( 0.000 1.061 0.000) 1.061 13.190 ( 0.000 5.702 0.000) 5.702 13.206 ( 0.000 4.808 0.000) 4.808 13.371 ( 0.000 2.494 0.000) 2.494 14.107 ( 0.000 -6.076 0.000) 6.076 14.143 ( 0.000 2.641 0.000) 2.641 14.326 ( 0.000 -4.961 0.000) 4.961 14.513 ( 0.000 -8.041 0.000) 8.041 16.173 ( 0.000 2.865 0.000) 2.865 16.371 ( 0.000 -1.407 0.000) 1.407 16.599 ( 0.000 -4.843 0.000) 4.843 16.797 ( 0.000 -2.572 0.000) 2.572 17.707 ( 0.000 -6.536 0.000) 6.536 17.851 ( 0.000 -8.061 0.000) 8.061 18.056 ( 0.000 -8.386 0.000) 8.386 18.267 ( 0.000 -11.052 0.000) 11.052 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.798 ( 21.253 18.283 0.000) 28.035 0.808 ( 17.095 21.554 0.000) 27.510 1.455 ( 26.340 43.157 0.000) 50.560 1.916 ( -9.073 3.548 0.000) 9.742 1.980 ( -4.565 20.558 0.000) 21.059 2.137 ( 13.063 3.489 0.000) 13.521 2.211 ( -6.961 15.627 0.000) 17.107 2.278 ( 1.251 4.035 0.000) 4.224 2.412 ( -3.439 14.851 0.000) 15.244 2.502 ( 1.791 11.295 0.000) 11.436 2.621 ( 1.011 9.156 0.000) 9.211 2.757 ( -1.104 13.308 0.000) 13.354 2.765 ( 3.435 12.834 0.000) 13.286 2.773 ( -4.060 1.692 0.000) 4.399 2.850 ( -0.544 5.357 0.000) 5.384 2.887 ( 0.805 11.403 0.000) 11.432 3.048 ( 3.755 12.008 0.000) 12.581 3.135 ( -1.390 14.237 0.000) 14.305 3.296 ( -0.142 17.874 0.000) 17.874 3.359 ( 3.610 0.184 0.000) 3.615 3.381 ( 0.496 2.598 0.000) 2.645 3.425 ( -2.156 17.884 0.000) 18.014 3.600 ( -15.213 5.483 0.000) 16.171 3.701 ( 2.410 -0.281 0.000) 2.426 4.193 ( 5.896 1.491 0.000) 6.082 4.375 ( -11.836 -1.601 0.000) 11.944 4.497 ( 8.764 3.056 0.000) 9.282 4.780 ( 8.073 -5.619 0.000) 9.836 4.794 ( -13.948 -2.126 0.000) 14.110 4.948 ( -5.266 -1.507 0.000) 5.477 5.100 ( 12.981 -6.773 0.000) 14.642 5.479 ( -2.901 -5.333 0.000) 6.071 5.500 ( -2.136 -2.084 0.000) 2.984 5.561 ( -7.501 -1.477 0.000) 7.645 5.877 ( 5.740 -3.366 0.000) 6.654 5.985 ( 1.881 -0.607 0.000) 1.977 6.142 ( 4.111 -0.897 0.000) 4.208 6.470 ( 12.521 -3.828 0.000) 13.093 6.680 ( -10.715 -4.680 0.000) 11.692 7.105 ( -1.093 -6.819 0.000) 6.906 8.303 ( 6.034 -1.211 0.000) 6.155 8.347 ( -2.173 16.170 0.000) 16.315 8.422 ( 2.824 1.352 0.000) 3.131 8.482 ( -11.336 12.877 0.000) 17.155 8.522 ( -0.260 4.189 0.000) 4.197 8.708 ( -4.333 6.883 0.000) 8.133 8.725 ( 0.763 0.065 0.000) 0.766 8.837 ( -2.341 5.022 0.000) 5.541 9.174 ( 6.516 17.017 0.000) 18.222 9.388 ( 3.420 14.343 0.000) 14.745 9.735 ( -3.478 9.198 0.000) 9.834 9.872 ( -6.080 8.771 0.000) 10.672 9.931 ( 18.664 -1.979 0.000) 18.769 10.246 ( 3.308 1.617 0.000) 3.682 10.495 ( 1.097 -2.855 0.000) 3.058 10.589 ( -0.211 -0.233 0.000) 0.314 10.670 ( 1.365 3.450 0.000) 3.710 10.686 ( -6.659 4.328 0.000) 7.942 11.196 ( 4.400 -8.056 0.000) 9.179 11.300 ( -4.179 -2.710 0.000) 4.980 11.375 ( 6.376 -2.656 0.000) 6.907 11.581 ( 9.508 -0.750 0.000) 9.537 11.684 ( -2.903 8.703 0.000) 9.174 12.168 ( -20.747 1.350 0.000) 20.790 12.228 ( -3.131 -2.326 0.000) 3.901 12.561 ( -4.962 -1.168 0.000) 5.097 12.635 ( -1.551 -11.643 0.000) 11.746 12.741 ( -1.978 -4.288 0.000) 4.722 12.763 ( -0.896 -4.534 0.000) 4.622 12.978 ( -16.844 7.789 0.000) 18.558 13.217 ( 2.311 8.110 0.000) 8.432 13.235 ( -0.126 8.715 0.000) 8.716 14.062 ( -2.016 -2.215 0.000) 2.995 14.103 ( -3.028 0.486 0.000) 3.067 14.370 ( 3.442 -3.751 0.000) 5.091 14.518 ( -0.229 -6.594 0.000) 6.598 16.197 ( 3.633 3.271 0.000) 4.888 16.383 ( 0.747 -1.153 0.000) 1.373 16.625 ( 2.414 -4.518 0.000) 5.123 16.781 ( -1.479 -1.535 0.000) 2.132 17.749 ( 2.351 -8.702 0.000) 9.014 17.845 ( -0.610 -8.065 0.000) 8.089 18.067 ( 0.929 -8.391 0.000) 8.442 18.221 ( -3.999 -10.513 0.000) 11.248 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.201 ( 20.611 12.591 0.000) 24.153 1.271 ( 23.589 14.571 0.000) 27.727 1.606 ( -18.171 7.094 0.000) 19.507 1.714 ( -19.254 15.794 0.000) 24.903 2.077 ( 31.057 23.305 0.000) 38.828 2.204 ( 4.061 19.121 0.000) 19.547 2.308 ( -4.495 18.218 0.000) 18.764 2.335 ( 3.797 5.920 0.000) 7.033 2.381 ( 3.540 5.886 0.000) 6.868 2.600 ( 6.673 10.990 0.000) 12.857 2.609 ( -15.038 5.096 0.000) 15.878 2.656 ( 7.217 3.451 0.000) 8.000 2.737 ( -9.184 7.016 0.000) 11.557 2.761 ( 1.605 13.506 0.000) 13.601 2.776 ( -1.563 15.109 0.000) 15.190 2.905 ( -5.499 7.025 0.000) 8.921 3.079 ( -4.100 18.135 0.000) 18.593 3.095 ( -2.512 14.831 0.000) 15.042 3.210 ( -0.653 5.806 0.000) 5.842 3.300 ( -6.036 5.086 0.000) 7.893 3.324 ( 1.786 14.470 0.000) 14.580 3.376 ( -2.820 15.862 0.000) 16.111 3.630 ( 14.017 1.496 0.000) 14.096 3.926 ( 5.139 -2.163 0.000) 5.576 4.019 ( -4.421 -0.389 0.000) 4.438 4.383 ( -20.138 -1.589 0.000) 20.200 4.425 ( 10.844 2.132 0.000) 11.052 4.634 ( -6.371 1.247 0.000) 6.492 4.884 ( 3.349 -0.615 0.000) 3.405 4.908 ( 4.051 -3.678 0.000) 5.471 5.242 ( 0.214 -2.816 0.000) 2.825 5.297 ( -7.934 -2.362 0.000) 8.278 5.486 ( 2.282 -7.170 0.000) 7.524 5.533 ( -0.998 -6.862 0.000) 6.935 5.978 ( 3.775 -3.073 0.000) 4.868 6.014 ( 0.242 -1.904 0.000) 1.919 6.276 ( 8.004 -1.515 0.000) 8.146 6.457 ( -10.199 -2.973 0.000) 10.623 6.737 ( 13.587 -3.938 0.000) 14.146 6.988 ( -10.236 -5.463 0.000) 11.603 8.309 ( -1.112 20.197 0.000) 20.228 8.327 ( -3.647 22.956 0.000) 23.243 8.423 ( 4.631 -4.016 0.000) 6.130 8.468 ( 0.219 -1.610 0.000) 1.625 8.561 ( 4.935 2.524 0.000) 5.543 8.646 ( -2.042 3.273 0.000) 3.858 8.715 ( -1.391 5.688 0.000) 5.856 8.744 ( -5.509 7.960 0.000) 9.681 9.342 ( 8.636 13.187 0.000) 15.763 9.450 ( 0.015 11.939 0.000) 11.939 9.666 ( -0.898 9.020 0.000) 9.065 9.741 ( -6.361 6.988 0.000) 9.450 10.343 ( 5.787 1.463 0.000) 5.969 10.359 ( 19.331 -3.588 0.000) 19.661 10.462 ( -4.836 -0.707 0.000) 4.887 10.580 ( -2.829 -0.967 0.000) 2.990 10.623 ( 1.362 4.191 0.000) 4.406 10.671 ( -1.524 3.797 0.000) 4.091 11.250 ( 1.123 -6.333 0.000) 6.431 11.251 ( -0.631 -6.039 0.000) 6.072 11.440 ( 1.965 2.147 0.000) 2.911 11.655 ( -15.378 3.206 0.000) 15.708 11.797 ( 12.871 2.079 0.000) 13.038 11.846 ( 4.122 -2.377 0.000) 4.759 12.132 ( -4.588 -1.309 0.000) 4.771 12.296 ( -18.423 3.455 0.000) 18.744 12.625 ( 1.334 -11.654 0.000) 11.730 12.674 ( -3.299 -7.242 0.000) 7.958 12.776 ( 1.205 -5.092 0.000) 5.233 12.811 ( -2.794 -1.963 0.000) 3.414 13.261 ( 1.495 10.364 0.000) 10.471 13.262 ( 1.374 9.519 0.000) 9.617 14.036 ( -0.469 -1.872 0.000) 1.929 14.050 ( -1.861 -1.484 0.000) 2.380 14.441 ( 3.306 -3.583 0.000) 4.876 14.495 ( -1.991 -4.633 0.000) 5.043 16.298 ( 5.273 1.153 0.000) 5.397 16.375 ( -2.045 -0.340 0.000) 2.073 16.684 ( 3.089 -3.573 0.000) 4.723 16.740 ( -2.455 -2.239 0.000) 3.323 17.790 ( 1.860 -8.400 0.000) 8.603 17.825 ( -1.460 -8.147 0.000) 8.277 18.090 ( 1.496 -8.615 0.000) 8.744 18.138 ( -3.493 -9.400 0.000) 10.028 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.086 ( 0.000 26.080 0.000) 26.080 1.183 ( 0.000 27.613 0.000) 27.613 2.037 ( 0.000 8.994 0.000) 8.994 2.164 ( 0.000 10.444 0.000) 10.444 2.272 ( 0.000 51.485 0.000) 51.485 2.330 ( 0.000 3.988 0.000) 3.988 2.481 ( 0.000 20.334 0.000) 20.334 2.570 ( 0.000 5.252 0.000) 5.252 2.706 ( 0.000 18.207 0.000) 18.207 2.757 ( 0.000 1.213 0.000) 1.213 2.881 ( 0.000 16.140 0.000) 16.140 2.885 ( 0.000 10.179 0.000) 10.179 2.978 ( 0.000 26.485 0.000) 26.485 3.072 ( 0.000 14.187 0.000) 14.187 3.135 ( 0.000 22.399 0.000) 22.399 3.265 ( 0.000 -0.334 0.000) 0.334 3.300 ( 0.000 14.282 0.000) 14.282 3.389 ( 0.000 26.653 0.000) 26.653 3.455 ( 0.000 13.183 0.000) 13.183 3.494 ( 0.000 17.600 0.000) 17.600 3.663 ( 0.000 16.933 0.000) 16.933 3.727 ( 0.000 1.522 0.000) 1.522 3.926 ( 0.000 28.751 0.000) 28.751 4.020 ( 0.000 19.890 0.000) 19.890 4.239 ( 0.000 10.560 0.000) 10.560 4.515 ( 0.000 8.836 0.000) 8.836 4.572 ( 0.000 0.233 0.000) 0.233 4.605 ( 0.000 3.507 0.000) 3.507 4.868 ( 0.000 -4.195 0.000) 4.195 4.893 ( 0.000 -2.863 0.000) 2.863 4.931 ( 0.000 -4.725 0.000) 4.725 5.389 ( 0.000 -3.876 0.000) 3.876 5.480 ( 0.000 -2.771 0.000) 2.771 5.626 ( 0.000 -5.523 0.000) 5.523 5.745 ( 0.000 -2.154 0.000) 2.154 5.959 ( 0.000 -0.504 0.000) 0.504 6.144 ( 0.000 0.451 0.000) 0.451 6.184 ( 0.000 -4.257 0.000) 4.257 6.755 ( 0.000 -1.988 0.000) 1.988 6.909 ( 0.000 -10.379 0.000) 10.379 8.169 ( 0.000 -3.370 0.000) 3.370 8.395 ( 0.000 -7.016 0.000) 7.016 8.431 ( 0.000 1.055 0.000) 1.055 8.629 ( 0.000 -7.021 0.000) 7.021 8.648 ( 0.000 -1.341 0.000) 1.341 8.680 ( 0.000 2.222 0.000) 2.222 8.906 ( 0.000 22.776 0.000) 22.776 9.087 ( 0.000 12.163 0.000) 12.163 9.573 ( 0.000 23.221 0.000) 23.221 9.691 ( 0.000 2.546 0.000) 2.546 9.754 ( 0.000 18.921 0.000) 18.921 10.047 ( 0.000 15.497 0.000) 15.497 10.131 ( 0.000 4.700 0.000) 4.700 10.252 ( 0.000 3.151 0.000) 3.151 10.445 ( 0.000 0.234 0.000) 0.234 10.651 ( 0.000 4.100 0.000) 4.100 10.664 ( 0.000 0.002 0.000) 0.002 10.924 ( 0.000 -7.881 0.000) 7.881 10.979 ( 0.000 13.193 0.000) 13.193 11.185 ( 0.000 -5.117 0.000) 5.117 11.368 ( 0.000 1.902 0.000) 1.902 11.482 ( 0.000 1.588 0.000) 1.588 11.954 ( 0.000 9.673 0.000) 9.673 12.213 ( 0.000 -0.995 0.000) 0.995 12.260 ( 0.000 -7.159 0.000) 7.159 12.401 ( 0.000 -5.282 0.000) 5.282 12.582 ( 0.000 -8.156 0.000) 8.156 12.645 ( 0.000 0.543 0.000) 0.543 12.809 ( 0.000 0.077 0.000) 0.077 13.294 ( 0.000 3.491 0.000) 3.491 13.329 ( 0.000 6.985 0.000) 6.985 13.412 ( 0.000 1.485 0.000) 1.485 13.914 ( 0.000 -13.212 0.000) 13.212 14.163 ( 0.000 -1.678 0.000) 1.678 14.189 ( 0.000 -8.342 0.000) 8.342 14.298 ( 0.000 -12.795 0.000) 12.795 16.208 ( 0.000 -0.183 0.000) 0.183 16.335 ( 0.000 -2.014 0.000) 2.014 16.474 ( 0.000 -7.160 0.000) 7.160 16.723 ( 0.000 -4.758 0.000) 4.758 17.523 ( 0.000 -11.598 0.000) 11.598 17.625 ( 0.000 -14.230 0.000) 14.230 17.820 ( 0.000 -14.911 0.000) 14.911 17.968 ( 0.000 -18.179 0.000) 18.179 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.209 ( 12.390 22.050 0.000) 25.293 1.281 ( 9.209 24.554 0.000) 26.224 2.030 ( -5.881 9.350 0.000) 11.046 2.242 ( 10.001 8.568 0.000) 13.170 2.340 ( -1.776 8.234 0.000) 8.424 2.422 ( 14.051 46.961 0.000) 49.018 2.430 ( -9.869 12.766 0.000) 16.136 2.562 ( 0.915 16.371 0.000) 16.396 2.572 ( 1.764 5.184 0.000) 5.476 2.839 ( 3.112 8.399 0.000) 8.957 2.862 ( -1.940 15.525 0.000) 15.645 2.919 ( -1.167 7.982 0.000) 8.067 2.930 ( -4.364 24.678 0.000) 25.061 3.094 ( 2.708 13.677 0.000) 13.943 3.125 ( -0.879 20.254 0.000) 20.273 3.271 ( -3.512 21.846 0.000) 22.127 3.342 ( 0.316 13.420 0.000) 13.424 3.379 ( 7.511 3.178 0.000) 8.156 3.490 ( 0.379 18.796 0.000) 18.799 3.533 ( 3.899 17.010 0.000) 17.451 3.637 ( -2.642 17.412 0.000) 17.611 3.720 ( 2.082 3.608 0.000) 4.166 3.897 ( -2.996 27.720 0.000) 27.881 3.906 ( -8.572 25.199 0.000) 26.618 4.250 ( -5.017 3.347 0.000) 6.031 4.396 ( -2.930 5.365 0.000) 6.112 4.589 ( 3.474 5.724 0.000) 6.696 4.745 ( -10.305 -1.831 0.000) 10.466 4.754 ( 6.694 2.581 0.000) 7.174 4.909 ( -3.124 -2.162 0.000) 3.799 4.993 ( 10.216 -5.055 0.000) 11.399 5.358 ( -4.082 -5.838 0.000) 7.123 5.444 ( -3.680 -3.411 0.000) 5.018 5.525 ( -8.235 -1.982 0.000) 8.470 5.784 ( 4.673 -5.791 0.000) 7.442 5.966 ( 0.413 -1.480 0.000) 1.537 6.140 ( 4.293 0.976 0.000) 4.403 6.385 ( 12.675 -4.260 0.000) 13.371 6.612 ( -10.010 -2.479 0.000) 10.312 6.952 ( 0.310 -8.344 0.000) 8.350 8.226 ( 3.802 -4.483 0.000) 5.878 8.349 ( -2.794 -7.413 0.000) 7.922 8.460 ( 2.439 1.303 0.000) 2.765 8.508 ( -3.630 -4.164 0.000) 5.525 8.734 ( 5.955 0.127 0.000) 5.956 8.808 ( 4.919 3.152 0.000) 5.842 8.897 ( -0.711 22.505 0.000) 22.517 9.053 ( -3.318 12.604 0.000) 13.033 9.590 ( 1.875 21.374 0.000) 21.456 9.736 ( 1.340 17.181 0.000) 17.233 9.843 ( 8.710 3.509 0.000) 9.390 10.038 ( -5.380 5.431 0.000) 7.645 10.058 ( 3.791 14.162 0.000) 14.661 10.325 ( 3.728 6.755 0.000) 7.716 10.460 ( 0.822 -0.439 0.000) 0.932 10.603 ( -1.349 0.921 0.000) 1.633 10.728 ( 2.661 2.403 0.000) 3.585 10.754 ( -6.608 1.559 0.000) 6.790 11.117 ( 3.071 1.530 0.000) 3.431 11.287 ( -5.910 1.543 0.000) 6.108 11.306 ( 12.394 -1.236 0.000) 12.455 11.560 ( 6.903 -0.635 0.000) 6.932 11.859 ( -7.269 7.502 0.000) 10.446 12.112 ( -14.927 -5.506 0.000) 15.910 12.185 ( -3.323 -1.406 0.000) 3.608 12.420 ( 1.137 -4.128 0.000) 4.282 12.590 ( -5.217 0.941 0.000) 5.302 12.608 ( 2.404 -7.094 0.000) 7.491 12.729 ( -6.408 0.074 0.000) 6.408 13.087 ( -19.063 3.957 0.000) 19.469 13.367 ( 5.635 5.506 0.000) 7.879 13.405 ( 0.784 7.743 0.000) 7.782 13.922 ( 0.404 -11.283 0.000) 11.291 14.060 ( -5.829 -5.294 0.000) 7.874 14.263 ( 3.348 -6.897 0.000) 7.667 14.323 ( 1.575 -12.373 0.000) 12.473 16.237 ( 2.902 0.149 0.000) 2.906 16.354 ( 1.345 -1.729 0.000) 2.191 16.506 ( 3.013 -6.953 0.000) 7.578 16.713 ( -1.356 -4.978 0.000) 5.159 17.536 ( 1.155 -12.635 0.000) 12.688 17.620 ( -0.583 -14.173 0.000) 14.185 17.832 ( 0.938 -14.794 0.000) 14.824 17.935 ( -2.795 -17.445 0.000) 17.668 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.523 ( 13.994 18.471 0.000) 23.173 1.564 ( 21.375 14.782 0.000) 25.988 1.813 ( -13.792 13.231 0.000) 19.113 2.011 ( -21.655 12.715 0.000) 25.112 2.470 ( 5.649 6.938 0.000) 8.947 2.476 ( 9.679 8.575 0.000) 12.931 2.591 ( 2.611 11.015 0.000) 11.320 2.629 ( 3.030 17.133 0.000) 17.399 2.762 ( 4.482 18.210 0.000) 18.753 2.808 ( -4.929 12.069 0.000) 13.036 2.826 ( -2.939 22.602 0.000) 22.793 2.849 ( -4.957 9.599 0.000) 10.803 2.875 ( 12.039 22.328 0.000) 25.367 3.115 ( -3.069 16.555 0.000) 16.837 3.119 ( 1.010 19.759 0.000) 19.785 3.206 ( -5.065 21.800 0.000) 22.381 3.371 ( 0.410 11.471 0.000) 11.478 3.410 ( -2.157 11.997 0.000) 12.190 3.521 ( 0.711 21.810 0.000) 21.822 3.533 ( -2.598 23.899 0.000) 24.040 3.615 ( 5.598 12.559 0.000) 13.750 3.790 ( -8.256 18.647 0.000) 20.393 3.848 ( 3.475 24.376 0.000) 24.622 3.912 ( 11.279 3.629 0.000) 11.849 4.038 ( -5.130 5.273 0.000) 7.357 4.346 ( -19.589 -1.928 0.000) 19.684 4.507 ( 9.134 6.781 0.000) 11.376 4.686 ( -6.197 4.347 0.000) 7.569 4.876 ( 4.864 1.572 0.000) 5.112 4.889 ( 3.165 1.878 0.000) 3.680 5.173 ( 5.202 -3.928 0.000) 6.519 5.232 ( -5.443 -4.091 0.000) 6.809 5.355 ( -2.790 -5.906 0.000) 6.532 5.399 ( -4.666 -5.492 0.000) 7.207 5.892 ( 4.915 -5.489 0.000) 7.368 5.959 ( -1.572 -3.636 0.000) 3.961 6.264 ( 7.149 0.541 0.000) 7.169 6.420 ( -8.560 -0.690 0.000) 8.588 6.647 ( 12.748 -5.040 0.000) 13.708 6.869 ( -8.362 -6.622 0.000) 10.667 8.272 ( 1.380 -6.659 0.000) 6.800 8.304 ( -1.806 -7.570 0.000) 7.783 8.513 ( 2.002 -2.714 0.000) 3.372 8.515 ( 2.119 -0.327 0.000) 2.144 8.813 ( 1.765 6.866 0.000) 7.090 8.845 ( -0.866 10.066 0.000) 10.103 8.906 ( 2.089 18.340 0.000) 18.459 8.968 ( -4.168 13.049 0.000) 13.699 9.667 ( 5.431 17.129 0.000) 17.970 9.749 ( -1.083 16.306 0.000) 16.342 9.893 ( -0.519 12.865 0.000) 12.875 9.939 ( -4.416 12.141 0.000) 12.920 10.322 ( 15.303 1.056 0.000) 15.340 10.377 ( 1.785 2.042 0.000) 2.713 10.450 ( -0.078 -0.249 0.000) 0.260 10.576 ( -3.719 1.083 0.000) 3.874 10.714 ( 1.781 4.869 0.000) 5.185 10.750 ( -0.577 4.093 0.000) 4.134 11.165 ( 2.509 -1.550 0.000) 2.949 11.200 ( -1.956 0.491 0.000) 2.016 11.498 ( 4.062 4.451 0.000) 6.026 11.685 ( -8.185 0.682 0.000) 8.213 11.766 ( -2.578 -5.510 0.000) 6.083 11.806 ( 3.159 -1.672 0.000) 3.574 12.120 ( 0.947 0.790 0.000) 1.233 12.352 ( -15.290 1.331 0.000) 15.348 12.492 ( 2.802 0.755 0.000) 2.902 12.594 ( -6.286 -0.148 0.000) 6.288 12.672 ( 3.695 -4.406 0.000) 5.750 12.780 ( -8.753 -0.752 0.000) 8.785 13.451 ( 2.590 8.988 0.000) 9.354 13.459 ( 2.410 8.594 0.000) 8.926 13.926 ( 0.315 -9.542 0.000) 9.547 13.960 ( -3.526 -7.908 0.000) 8.658 14.315 ( 1.833 -9.204 0.000) 9.384 14.337 ( -0.293 -11.170 0.000) 11.174 16.311 ( 3.777 -0.257 0.000) 3.786 16.363 ( -0.969 -1.050 0.000) 1.429 16.583 ( 4.247 -6.283 0.000) 7.583 16.663 ( -3.444 -5.404 0.000) 6.408 17.565 ( 1.700 -13.714 0.000) 13.818 17.599 ( -1.480 -14.065 0.000) 14.143 17.851 ( 0.971 -14.925 0.000) 14.957 17.880 ( -2.185 -15.925 0.000) 16.074 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.575 ( 0.000 22.728 0.000) 22.728 1.695 ( 0.000 23.784 0.000) 23.784 2.196 ( 0.000 8.492 0.000) 8.492 2.404 ( 0.000 13.099 0.000) 13.099 2.410 ( 0.000 3.638 0.000) 3.638 2.638 ( 0.000 1.152 0.000) 1.152 2.670 ( 0.000 5.063 0.000) 5.063 2.812 ( 0.000 4.727 0.000) 4.727 3.068 ( 0.000 7.448 0.000) 7.448 3.156 ( 0.000 18.814 0.000) 18.814 3.167 ( 0.000 13.641 0.000) 13.641 3.175 ( 0.000 12.809 0.000) 12.809 3.261 ( 0.000 5.092 0.000) 5.092 3.346 ( 0.000 31.306 0.000) 31.306 3.510 ( 0.000 24.507 0.000) 24.507 3.555 ( 0.000 16.705 0.000) 16.705 3.597 ( 0.000 22.754 0.000) 22.754 3.616 ( 0.000 -1.422 0.000) 1.422 3.861 ( 0.000 21.115 0.000) 21.115 3.937 ( 0.000 25.130 0.000) 25.130 3.994 ( 0.000 21.454 0.000) 21.454 4.042 ( 0.000 23.351 0.000) 23.351 4.434 ( 0.000 4.714 0.000) 4.714 4.512 ( 0.000 25.547 0.000) 25.547 4.530 ( 0.000 29.716 0.000) 29.716 4.654 ( 0.000 -2.074 0.000) 2.074 4.673 ( 0.000 14.575 0.000) 14.575 4.719 ( 0.000 10.616 0.000) 10.616 4.840 ( 0.000 -2.872 0.000) 2.872 4.844 ( 0.000 5.743 0.000) 5.743 4.863 ( 0.000 1.221 0.000) 1.221 5.329 ( 0.000 -2.898 0.000) 2.898 5.422 ( 0.000 -2.359 0.000) 2.359 5.531 ( 0.000 -1.887 0.000) 1.887 5.686 ( 0.000 -3.134 0.000) 3.134 5.938 ( 0.000 -1.552 0.000) 1.552 6.150 ( 0.000 0.908 0.000) 0.908 6.166 ( 0.000 1.852 0.000) 1.852 6.710 ( 0.000 -8.956 0.000) 8.956 6.733 ( 0.000 -0.137 0.000) 0.137 8.109 ( 0.000 -2.546 0.000) 2.546 8.216 ( 0.000 -9.519 0.000) 9.519 8.405 ( 0.000 -2.984 0.000) 2.984 8.488 ( 0.000 -6.706 0.000) 6.706 8.673 ( 0.000 3.044 0.000) 3.044 8.739 ( 0.000 3.385 0.000) 3.385 9.247 ( 0.000 10.618 0.000) 10.618 9.288 ( 0.000 7.277 0.000) 7.277 9.802 ( 0.000 7.309 0.000) 7.309 9.906 ( 0.000 4.507 0.000) 4.507 9.961 ( 0.000 4.084 0.000) 4.084 10.143 ( 0.000 2.186 0.000) 2.186 10.348 ( 0.000 6.282 0.000) 6.282 10.424 ( 0.000 16.166 0.000) 16.166 10.485 ( 0.000 3.593 0.000) 3.593 10.624 ( 0.000 -3.669 0.000) 3.669 10.759 ( 0.000 7.015 0.000) 7.015 10.778 ( 0.000 -2.844 0.000) 2.844 11.235 ( 0.000 9.486 0.000) 9.486 11.304 ( 0.000 18.715 0.000) 18.715 11.494 ( 0.000 9.891 0.000) 9.891 11.519 ( 0.000 1.254 0.000) 1.254 12.079 ( 0.000 2.383 0.000) 2.383 12.109 ( 0.000 -7.748 0.000) 7.748 12.227 ( 0.000 2.628 0.000) 2.628 12.461 ( 0.000 -3.140 0.000) 3.140 12.474 ( 0.000 12.067 0.000) 12.067 12.635 ( 0.000 -1.920 0.000) 1.920 12.792 ( 0.000 -1.639 0.000) 1.639 13.267 ( 0.000 -7.484 0.000) 7.484 13.422 ( 0.000 -1.465 0.000) 1.465 13.453 ( 0.000 4.609 0.000) 4.609 13.607 ( 0.000 -15.998 0.000) 15.998 14.030 ( 0.000 -6.771 0.000) 6.771 14.052 ( 0.000 -10.357 0.000) 10.357 14.053 ( 0.000 -9.559 0.000) 9.559 16.156 ( 0.000 -4.748 0.000) 4.748 16.301 ( 0.000 -1.111 0.000) 1.111 16.338 ( 0.000 -6.030 0.000) 6.030 16.614 ( 0.000 -6.133 0.000) 6.133 17.263 ( 0.000 -14.080 0.000) 14.080 17.307 ( 0.000 -17.175 0.000) 17.175 17.486 ( 0.000 -18.116 0.000) 18.116 17.582 ( 0.000 -19.786 0.000) 19.786 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.643 ( 7.008 21.051 0.000) 22.187 1.750 ( 5.250 22.190 0.000) 22.802 2.219 ( -1.050 9.329 0.000) 9.388 2.438 ( 5.315 11.495 0.000) 12.664 2.452 ( 4.552 3.671 0.000) 5.848 2.591 ( -14.363 5.493 0.000) 15.377 2.659 ( 0.840 4.813 0.000) 4.886 2.734 ( 3.932 4.015 0.000) 5.620 3.065 ( -4.057 8.014 0.000) 8.982 3.093 ( -7.267 10.171 0.000) 12.500 3.164 ( 1.137 11.440 0.000) 11.496 3.246 ( 4.835 9.929 0.000) 11.043 3.272 ( 3.664 8.589 0.000) 9.338 3.405 ( 3.101 31.312 0.000) 31.466 3.470 ( -0.901 24.515 0.000) 24.532 3.613 ( 3.751 19.048 0.000) 19.414 3.632 ( 5.100 17.995 0.000) 18.704 3.688 ( 5.627 5.394 0.000) 7.795 3.725 ( -7.468 18.539 0.000) 19.987 3.984 ( -3.840 25.486 0.000) 25.774 4.001 ( 0.830 22.167 0.000) 22.183 4.073 ( 5.975 24.077 0.000) 24.807 4.265 ( -13.924 2.371 0.000) 14.124 4.442 ( -6.129 23.184 0.000) 23.981 4.498 ( -1.959 27.478 0.000) 27.548 4.609 ( 2.687 13.093 0.000) 13.366 4.649 ( -10.275 3.654 0.000) 10.905 4.827 ( 3.535 9.742 0.000) 10.363 4.880 ( 0.448 0.102 0.000) 0.460 4.890 ( 4.571 9.228 0.000) 10.298 4.908 ( 11.866 0.822 0.000) 11.895 5.284 ( -5.196 -0.693 0.000) 5.242 5.377 ( -4.435 -2.456 0.000) 5.070 5.499 ( -4.903 0.172 0.000) 4.906 5.661 ( 1.865 -5.817 0.000) 6.109 5.924 ( -1.557 -2.690 0.000) 3.109 6.186 ( 4.660 3.613 0.000) 5.896 6.313 ( 10.660 -2.846 0.000) 11.033 6.573 ( -7.734 -1.723 0.000) 7.923 6.797 ( 0.526 -6.382 0.000) 6.404 8.144 ( 2.202 -3.573 0.000) 4.197 8.188 ( -1.765 -7.836 0.000) 8.032 8.412 ( -3.024 -4.735 0.000) 5.618 8.448 ( 2.876 -2.469 0.000) 3.790 8.734 ( 5.367 0.360 0.000) 5.379 8.872 ( 8.977 3.340 0.000) 9.578 9.233 ( -1.351 11.089 0.000) 11.171 9.242 ( -4.762 5.854 0.000) 7.547 9.867 ( -1.492 3.396 0.000) 3.710 9.924 ( 10.463 6.156 0.000) 12.140 9.993 ( 3.130 6.029 0.000) 6.793 10.139 ( 1.353 7.016 0.000) 7.145 10.364 ( -2.582 12.284 0.000) 12.552 10.476 ( 7.062 7.844 0.000) 10.555 10.483 ( -2.409 1.694 0.000) 2.945 10.576 ( -2.344 -2.926 0.000) 3.749 10.781 ( 1.806 5.444 0.000) 5.736 10.810 ( 3.315 6.213 0.000) 7.042 11.210 ( -2.162 7.284 0.000) 7.598 11.352 ( -8.223 3.355 0.000) 8.881 11.446 ( 11.743 14.139 0.000) 18.380 11.581 ( 2.259 2.840 0.000) 3.629 11.948 ( -10.624 1.315 0.000) 10.705 11.992 ( -11.205 -5.696 0.000) 12.570 12.184 ( -4.176 1.411 0.000) 4.408 12.487 ( 0.439 9.269 0.000) 9.279 12.503 ( 3.929 -2.638 0.000) 4.732 12.618 ( -1.554 2.550 0.000) 2.986 12.758 ( -2.844 2.694 0.000) 3.917 13.149 ( -19.293 2.383 0.000) 19.439 13.364 ( 8.091 -7.527 0.000) 11.051 13.489 ( 3.043 -3.530 0.000) 4.661 13.678 ( 2.277 -9.059 0.000) 9.341 13.929 ( -6.897 -6.643 0.000) 9.576 14.067 ( 1.016 -11.851 0.000) 11.895 14.089 ( 0.841 -10.484 0.000) 10.518 16.195 ( 3.520 -4.192 0.000) 5.474 16.316 ( 1.225 -2.437 0.000) 2.727 16.375 ( 3.284 -5.165 0.000) 6.120 16.598 ( -1.683 -6.262 0.000) 6.484 17.258 ( -0.211 -14.913 0.000) 14.914 17.304 ( -0.435 -17.066 0.000) 17.072 17.503 ( 1.286 -17.674 0.000) 17.721 17.563 ( -1.538 -19.157 0.000) 19.218 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.862 ( 14.086 15.124 0.000) 20.667 1.893 ( 8.347 18.013 0.000) 19.853 2.101 ( -8.200 14.843 0.000) 16.958 2.234 ( -18.463 10.260 0.000) 21.123 2.597 ( 8.827 5.579 0.000) 10.443 2.631 ( 10.996 6.336 0.000) 12.691 2.705 ( 1.170 5.953 0.000) 6.067 2.779 ( -2.268 4.196 0.000) 4.770 2.923 ( -6.844 4.217 0.000) 8.039 2.946 ( -6.240 4.051 0.000) 7.439 3.193 ( 2.391 14.690 0.000) 14.883 3.263 ( -3.410 15.710 0.000) 16.076 3.416 ( 8.702 11.059 0.000) 14.073 3.421 ( 3.096 15.790 0.000) 16.091 3.559 ( -5.026 12.939 0.000) 13.881 3.588 ( 5.032 29.827 0.000) 30.248 3.650 ( -0.877 14.281 0.000) 14.308 3.705 ( 1.151 21.715 0.000) 21.746 3.888 ( -3.878 21.535 0.000) 21.882 3.889 ( 4.662 5.881 0.000) 7.504 4.020 ( 2.653 9.620 0.000) 9.980 4.062 ( 2.280 23.142 0.000) 23.254 4.122 ( -2.749 26.909 0.000) 27.049 4.306 ( -11.203 3.619 0.000) 11.773 4.416 ( -5.304 25.800 0.000) 26.340 4.445 ( -3.261 26.963 0.000) 27.159 4.696 ( 5.290 10.586 0.000) 11.834 4.799 ( -4.424 6.081 0.000) 7.520 4.997 ( 7.657 8.604 0.000) 11.518 4.998 ( 5.586 9.659 0.000) 11.158 5.116 ( 6.757 0.827 0.000) 6.808 5.161 ( -5.565 -0.806 0.000) 5.623 5.262 ( -4.617 -2.283 0.000) 5.150 5.349 ( -8.255 1.713 0.000) 8.430 5.764 ( 6.182 -7.205 0.000) 9.494 5.869 ( -3.973 -5.200 0.000) 6.544 6.299 ( 6.090 2.907 0.000) 6.748 6.427 ( -6.686 1.196 0.000) 6.792 6.541 ( 11.193 -5.309 0.000) 12.388 6.732 ( -6.918 -6.782 0.000) 9.687 8.158 ( -0.184 -4.643 0.000) 4.646 8.162 ( -0.730 -6.046 0.000) 6.090 8.430 ( 3.426 -4.480 0.000) 5.641 8.479 ( -0.458 -2.972 0.000) 3.007 8.859 ( 6.845 -0.106 0.000) 6.846 8.979 ( -1.789 4.471 0.000) 4.816 9.151 ( -0.550 5.099 0.000) 5.128 9.195 ( -2.469 9.997 0.000) 10.297 9.904 ( 4.701 5.602 0.000) 7.313 10.004 ( -3.228 7.399 0.000) 8.072 10.124 ( 7.200 9.171 0.000) 11.660 10.182 ( 1.685 10.370 0.000) 10.506 10.392 ( -2.398 3.077 0.000) 3.901 10.426 ( -6.348 2.663 0.000) 6.884 10.480 ( 11.279 4.797 0.000) 12.257 10.630 ( 0.472 4.776 0.000) 4.800 10.844 ( 3.097 9.183 0.000) 9.691 10.863 ( 1.432 7.713 0.000) 7.845 11.171 ( -0.710 1.441 0.000) 1.606 11.217 ( -4.903 0.105 0.000) 4.904 11.620 ( 1.064 -7.752 0.000) 7.824 11.640 ( 2.597 9.173 0.000) 9.534 11.743 ( -5.991 -3.464 0.000) 6.920 11.753 ( -7.561 5.760 0.000) 9.505 12.172 ( 6.616 4.361 0.000) 7.923 12.405 ( -10.688 4.492 0.000) 11.594 12.592 ( 4.279 -0.831 0.000) 4.359 12.609 ( 1.311 9.119 0.000) 9.213 12.698 ( -2.167 7.617 0.000) 7.919 12.792 ( -12.779 2.357 0.000) 12.994 13.532 ( 7.484 -4.991 0.000) 8.996 13.588 ( 5.128 2.378 0.000) 5.652 13.674 ( -1.294 -13.957 0.000) 14.016 13.774 ( -8.007 -7.744 0.000) 11.140 14.081 ( 0.472 -13.037 0.000) 13.046 14.090 ( -0.412 -12.331 0.000) 12.338 16.275 ( 3.844 -3.370 0.000) 5.112 16.326 ( -0.856 -2.981 0.000) 3.101 16.456 ( 4.517 -5.589 0.000) 7.186 16.543 ( -3.724 -6.162 0.000) 7.200 17.264 ( 0.830 -16.170 0.000) 16.191 17.287 ( -1.203 -16.823 0.000) 16.866 17.524 ( 0.674 -17.296 0.000) 17.309 17.536 ( -0.878 -17.887 0.000) 17.909 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.979 ( 0.000 17.809 0.000) 17.809 2.122 ( 0.000 19.042 0.000) 19.042 2.375 ( 0.000 9.371 0.000) 9.371 2.469 ( 0.000 2.492 0.000) 2.492 2.639 ( 0.000 -0.382 0.000) 0.382 2.667 ( 0.000 13.041 0.000) 13.041 2.770 ( 0.000 4.909 0.000) 4.909 2.947 ( 0.000 8.662 0.000) 8.662 3.115 ( 0.000 -0.182 0.000) 0.182 3.182 ( 0.000 -1.716 0.000) 1.716 3.320 ( 0.000 1.846 0.000) 1.846 3.399 ( 0.000 10.280 0.000) 10.280 3.441 ( 0.000 9.149 0.000) 9.149 3.568 ( 0.000 -2.856 0.000) 2.856 3.800 ( 0.000 9.677 0.000) 9.677 3.890 ( 0.000 13.359 0.000) 13.359 3.983 ( 0.000 14.155 0.000) 14.155 4.141 ( 0.000 30.033 0.000) 30.033 4.168 ( 0.000 8.249 0.000) 8.249 4.300 ( 0.000 10.850 0.000) 10.850 4.467 ( 0.000 14.290 0.000) 14.290 4.475 ( 0.000 2.813 0.000) 2.813 4.500 ( 0.000 14.329 0.000) 14.329 4.588 ( 0.000 11.330 0.000) 11.330 4.773 ( 0.000 11.024 0.000) 11.024 4.904 ( 0.000 10.352 0.000) 10.352 4.910 ( 0.000 9.269 0.000) 9.269 4.998 ( 0.000 9.974 0.000) 9.974 5.050 ( 0.000 10.861 0.000) 10.861 5.077 ( 0.000 20.852 0.000) 20.852 5.177 ( 0.000 28.790 0.000) 28.790 5.221 ( 0.000 -6.516 0.000) 6.516 5.463 ( 0.000 9.508 0.000) 9.508 5.659 ( 0.000 14.310 0.000) 14.310 5.680 ( 0.000 4.497 0.000) 4.497 5.918 ( 0.000 0.759 0.000) 0.759 6.208 ( 0.000 4.518 0.000) 4.518 6.215 ( 0.000 2.911 0.000) 2.911 6.573 ( 0.000 -4.654 0.000) 4.654 6.744 ( 0.000 0.981 0.000) 0.981 8.063 ( 0.000 -5.139 0.000) 5.139 8.071 ( 0.000 -1.209 0.000) 1.209 8.351 ( 0.000 -1.752 0.000) 1.752 8.374 ( 0.000 -4.568 0.000) 4.568 8.735 ( 0.000 2.993 0.000) 2.993 8.808 ( 0.000 3.549 0.000) 3.549 9.363 ( 0.000 2.407 0.000) 2.407 9.368 ( 0.000 1.028 0.000) 1.028 9.824 ( 0.000 -5.693 0.000) 5.693 9.926 ( 0.000 4.587 0.000) 4.587 10.039 ( 0.000 5.116 0.000) 5.116 10.207 ( 0.000 -0.104 0.000) 0.104 10.415 ( 0.000 -8.396 0.000) 8.396 10.422 ( 0.000 -3.100 0.000) 3.100 10.563 ( 0.000 3.514 0.000) 3.514 10.604 ( 0.000 6.019 0.000) 6.019 10.960 ( 0.000 12.943 0.000) 12.943 11.015 ( 0.000 17.052 0.000) 17.052 11.453 ( 0.000 10.377 0.000) 10.377 11.485 ( 0.000 -5.847 0.000) 5.847 11.672 ( 0.000 16.702 0.000) 16.702 11.686 ( 0.000 8.061 0.000) 8.061 11.969 ( 0.000 -5.956 0.000) 5.956 12.075 ( 0.000 -1.004 0.000) 1.004 12.329 ( 0.000 7.776 0.000) 7.776 12.442 ( 0.000 -0.810 0.000) 0.810 12.560 ( 0.000 -5.608 0.000) 5.608 12.759 ( 0.000 -1.102 0.000) 1.102 12.789 ( 0.000 14.429 0.000) 14.429 13.008 ( 0.000 -16.461 0.000) 16.461 13.208 ( 0.000 -13.752 0.000) 13.752 13.476 ( 0.000 -0.053 0.000) 0.053 13.483 ( 0.000 -1.127 0.000) 1.127 13.789 ( 0.000 -16.539 0.000) 16.539 13.914 ( 0.000 -5.890 0.000) 5.890 13.937 ( 0.000 -1.343 0.000) 1.343 16.044 ( 0.000 -5.726 0.000) 5.726 16.247 ( 0.000 -3.099 0.000) 3.099 16.300 ( 0.000 1.184 0.000) 1.184 16.486 ( 0.000 -6.527 0.000) 6.527 16.967 ( 0.000 -16.502 0.000) 16.502 16.984 ( 0.000 -13.504 0.000) 13.504 17.128 ( 0.000 -17.254 0.000) 17.254 17.215 ( 0.000 -16.463 0.000) 16.463 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.027 ( 4.514 17.295 0.000) 17.875 2.151 ( 2.730 17.953 0.000) 18.160 2.397 ( 1.276 8.742 0.000) 8.834 2.499 ( 2.663 1.631 0.000) 3.123 2.655 ( -2.813 0.870 0.000) 2.945 2.669 ( -0.141 10.277 0.000) 10.278 2.766 ( 2.072 6.516 0.000) 6.837 2.860 ( -1.004 9.141 0.000) 9.196 3.180 ( -4.018 4.590 0.000) 6.101 3.222 ( 0.432 -0.212 0.000) 0.481 3.230 ( -4.973 2.372 0.000) 5.510 3.292 ( 0.774 3.482 0.000) 3.567 3.487 ( 3.442 8.118 0.000) 8.818 3.622 ( 1.352 0.380 0.000) 1.405 3.816 ( 2.807 8.035 0.000) 8.511 3.961 ( -3.137 9.996 0.000) 10.476 3.965 ( -6.073 6.437 0.000) 8.849 3.984 ( 0.392 13.661 0.000) 13.667 4.155 ( 1.647 27.700 0.000) 27.749 4.309 ( -6.523 8.700 0.000) 10.874 4.420 ( -5.718 8.971 0.000) 10.639 4.470 ( 8.322 14.854 0.000) 17.027 4.567 ( 2.919 31.507 0.000) 31.642 4.621 ( -10.636 12.857 0.000) 16.686 4.667 ( 6.389 -3.223 0.000) 7.156 4.940 ( -1.099 6.565 0.000) 6.657 4.971 ( 4.877 5.154 0.000) 7.096 4.988 ( 0.864 15.805 0.000) 15.829 4.997 ( -3.376 16.680 0.000) 17.019 5.073 ( -1.177 17.245 0.000) 17.285 5.258 ( 6.092 23.026 0.000) 23.819 5.289 ( 4.725 -2.183 0.000) 5.205 5.437 ( -2.431 11.357 0.000) 11.615 5.589 ( -1.670 9.880 0.000) 10.020 5.665 ( -4.153 10.753 0.000) 11.527 5.883 ( -3.376 0.234 0.000) 3.384 6.274 ( 4.751 2.455 0.000) 5.348 6.280 ( 6.838 2.133 0.000) 7.163 6.534 ( -3.362 -2.079 0.000) 3.953 6.722 ( -2.671 -1.294 0.000) 2.968 8.064 ( 0.226 -4.152 0.000) 4.158 8.088 ( 1.005 -1.981 0.000) 2.222 8.337 ( -1.575 -2.682 0.000) 3.110 8.391 ( 2.931 -2.401 0.000) 3.789 8.755 ( 2.360 1.833 0.000) 2.988 8.934 ( 10.148 2.870 0.000) 10.546 9.297 ( -7.052 0.589 0.000) 7.077 9.376 ( 0.277 4.097 0.000) 4.107 9.832 ( 2.340 -3.507 0.000) 4.216 10.007 ( 6.427 2.305 0.000) 6.827 10.084 ( 4.951 4.138 0.000) 6.452 10.224 ( 1.957 -0.028 0.000) 1.958 10.390 ( -1.166 -5.846 0.000) 5.961 10.497 ( 3.653 -4.576 0.000) 5.855 10.552 ( -0.707 5.249 0.000) 5.297 10.652 ( 5.355 8.880 0.000) 10.370 10.988 ( 2.419 11.740 0.000) 11.987 11.027 ( 0.831 13.737 0.000) 13.762 11.356 ( -8.825 -3.686 0.000) 9.564 11.371 ( -7.149 7.612 0.000) 10.443 11.612 ( -9.136 -1.452 0.000) 9.250 11.756 ( 6.945 14.797 0.000) 16.346 11.937 ( -12.287 -1.142 0.000) 12.340 11.941 ( -1.820 1.483 0.000) 2.348 12.241 ( -4.211 3.776 0.000) 5.656 12.517 ( 4.999 4.010 0.000) 6.409 12.558 ( -0.299 -2.505 0.000) 2.523 12.817 ( 1.048 12.403 0.000) 12.447 12.830 ( 4.359 4.161 0.000) 6.026 13.080 ( 7.181 -18.691 0.000) 20.023 13.151 ( -11.499 -4.799 0.000) 12.460 13.290 ( -1.612 -5.212 0.000) 5.456 13.577 ( 0.491 -5.857 0.000) 5.877 13.735 ( -4.977 -15.022 0.000) 15.825 13.912 ( -0.251 -6.142 0.000) 6.147 13.929 ( -0.766 -1.751 0.000) 1.912 16.093 ( 4.401 -5.230 0.000) 6.836 16.242 ( 0.156 -3.688 0.000) 3.691 16.336 ( 2.533 0.295 0.000) 2.551 16.472 ( -1.389 -6.298 0.000) 6.450 16.962 ( -1.475 -14.313 0.000) 14.389 16.966 ( -0.239 -16.370 0.000) 16.372 17.158 ( 2.219 -16.357 0.000) 16.506 17.207 ( -0.568 -16.007 0.000) 16.018 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.153 ( 7.662 13.892 0.000) 15.865 2.219 ( 3.006 14.551 0.000) 14.858 2.371 ( -3.254 11.849 0.000) 12.288 2.418 ( -9.440 7.945 0.000) 12.338 2.672 ( 6.722 1.980 0.000) 7.008 2.718 ( 3.776 3.251 0.000) 4.983 2.852 ( 5.275 6.768 0.000) 8.581 2.909 ( 1.425 9.384 0.000) 9.492 3.012 ( -7.796 3.171 0.000) 8.417 3.022 ( -9.430 7.687 0.000) 12.166 3.329 ( 6.616 1.788 0.000) 6.853 3.397 ( 2.931 0.369 0.000) 2.954 3.584 ( 6.582 5.506 0.000) 8.581 3.602 ( 0.069 3.890 0.000) 3.891 3.730 ( -10.665 3.515 0.000) 11.229 3.761 ( -9.872 1.195 0.000) 9.944 4.011 ( 10.327 6.016 0.000) 11.951 4.108 ( 5.606 16.226 0.000) 17.167 4.195 ( -1.855 20.720 0.000) 20.803 4.241 ( -10.983 3.623 0.000) 11.565 4.252 ( 3.837 19.475 0.000) 19.849 4.399 ( -9.382 21.281 0.000) 23.257 4.645 ( 5.920 17.214 0.000) 18.204 4.647 ( 4.485 29.853 0.000) 30.188 4.788 ( 5.291 0.396 0.000) 5.306 4.884 ( -3.886 2.427 0.000) 4.582 4.916 ( -3.507 14.169 0.000) 14.597 4.927 ( -5.240 22.992 0.000) 23.581 5.076 ( 3.591 4.329 0.000) 5.624 5.088 ( 1.800 5.458 0.000) 5.748 5.348 ( 1.275 12.631 0.000) 12.695 5.371 ( 0.519 17.139 0.000) 17.147 5.400 ( 3.854 17.916 0.000) 18.326 5.535 ( -7.103 16.406 0.000) 17.878 5.653 ( 6.111 0.759 0.000) 6.158 5.785 ( -6.147 -0.607 0.000) 6.177 6.368 ( 4.587 3.197 0.000) 5.591 6.454 ( 9.295 -2.493 0.000) 9.623 6.456 ( -4.141 1.221 0.000) 4.318 6.624 ( -7.005 -3.282 0.000) 7.736 8.073 ( 0.652 -2.870 0.000) 2.943 8.089 ( -0.740 -2.354 0.000) 2.467 8.359 ( 3.232 -2.384 0.000) 4.016 8.416 ( -1.229 -2.824 0.000) 3.080 8.857 ( 8.045 0.934 0.000) 8.099 9.040 ( -6.881 2.371 0.000) 7.278 9.210 ( 5.595 1.750 0.000) 5.862 9.337 ( -4.476 4.807 0.000) 6.568 9.929 ( 6.436 -1.602 0.000) 6.632 10.047 ( -3.716 -1.307 0.000) 3.939 10.245 ( 10.222 2.984 0.000) 10.648 10.295 ( 4.868 1.473 0.000) 5.086 10.395 ( -1.869 -1.582 0.000) 2.449 10.456 ( -7.468 -0.344 0.000) 7.476 10.623 ( 11.014 7.881 0.000) 13.543 10.768 ( 2.251 7.860 0.000) 8.176 11.022 ( -1.599 4.535 0.000) 4.809 11.022 ( -0.604 6.439 0.000) 6.467 11.224 ( -4.921 2.980 0.000) 5.753 11.230 ( -4.973 6.438 0.000) 8.135 11.443 ( 0.311 -10.049 0.000) 10.054 11.643 ( -14.953 -3.915 0.000) 15.456 11.872 ( 3.053 10.779 0.000) 11.203 11.908 ( -1.471 8.471 0.000) 8.597 12.279 ( 9.058 5.583 0.000) 10.640 12.498 ( -7.878 3.653 0.000) 8.684 12.614 ( 4.743 2.997 0.000) 5.611 12.738 ( -8.362 1.356 0.000) 8.471 12.893 ( 2.231 10.869 0.000) 11.096 12.943 ( -4.218 13.352 0.000) 14.002 13.255 ( 8.447 -18.261 0.000) 20.120 13.338 ( 1.744 -15.469 0.000) 15.567 13.544 ( -1.314 -9.604 0.000) 9.694 13.612 ( -6.443 -12.786 0.000) 14.318 13.907 ( -0.069 -4.990 0.000) 4.991 13.913 ( -0.645 -3.131 0.000) 3.197 16.190 ( 4.360 -4.563 0.000) 6.311 16.244 ( -0.803 -4.540 0.000) 4.611 16.384 ( 2.262 -2.026 0.000) 3.036 16.432 ( -2.414 -4.941 0.000) 5.499 16.944 ( -0.129 -15.351 0.000) 15.351 16.954 ( -0.816 -16.026 0.000) 16.047 17.193 ( 0.978 -15.381 0.000) 15.413 17.200 ( -0.093 -15.273 0.000) 15.274 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.284 ( 0.000 13.160 0.000) 13.160 2.440 ( 0.000 11.353 0.000) 11.353 2.526 ( 0.000 4.906 0.000) 4.906 2.560 ( 0.000 9.004 0.000) 9.004 2.631 ( 0.000 -0.462 0.000) 0.462 2.842 ( 0.000 3.352 0.000) 3.352 2.929 ( 0.000 11.951 0.000) 11.951 3.093 ( 0.000 -1.773 0.000) 1.773 3.137 ( 0.000 -2.982 0.000) 2.982 3.146 ( 0.000 11.103 0.000) 11.103 3.355 ( 0.000 1.912 0.000) 1.912 3.509 ( 0.000 -2.916 0.000) 2.916 3.548 ( 0.000 2.345 0.000) 2.345 3.601 ( 0.000 10.168 0.000) 10.168 3.891 ( 0.000 1.049 0.000) 1.049 4.025 ( 0.000 0.775 0.000) 0.775 4.106 ( 0.000 -0.511 0.000) 0.511 4.213 ( 0.000 -1.968 0.000) 1.968 4.315 ( 0.000 -7.188 0.000) 7.188 4.339 ( 0.000 -4.381 0.000) 4.381 4.586 ( 0.000 6.175 0.000) 6.175 4.606 ( 0.000 1.268 0.000) 1.268 4.675 ( 0.000 18.350 0.000) 18.350 4.972 ( 0.000 -9.070 0.000) 9.070 4.984 ( 0.000 2.359 0.000) 2.359 5.108 ( 0.000 6.174 0.000) 6.174 5.149 ( 0.000 19.733 0.000) 19.733 5.171 ( 0.000 14.045 0.000) 14.045 5.251 ( 0.000 25.144 0.000) 25.144 5.330 ( 0.000 14.464 0.000) 14.464 5.412 ( 0.000 13.535 0.000) 13.535 5.694 ( 0.000 22.719 0.000) 22.719 5.780 ( 0.000 18.670 0.000) 18.670 5.885 ( 0.000 13.853 0.000) 13.853 6.007 ( 0.000 18.370 0.000) 18.370 6.023 ( 0.000 9.694 0.000) 9.694 6.279 ( 0.000 3.633 0.000) 3.633 6.322 ( 0.000 7.010 0.000) 7.010 6.523 ( 0.000 -0.599 0.000) 0.599 6.759 ( 0.000 0.085 0.000) 0.085 8.025 ( 0.000 1.316 0.000) 1.316 8.064 ( 0.000 0.695 0.000) 0.695 8.306 ( 0.000 -2.434 0.000) 2.434 8.348 ( 0.000 1.258 0.000) 1.258 8.797 ( 0.000 3.489 0.000) 3.489 8.888 ( 0.000 4.689 0.000) 4.689 9.348 ( 0.000 -2.524 0.000) 2.524 9.375 ( 0.000 -0.968 0.000) 0.968 9.782 ( 0.000 1.884 0.000) 1.884 9.989 ( 0.000 2.136 0.000) 2.136 10.138 ( 0.000 -5.670 0.000) 5.670 10.167 ( 0.000 6.172 0.000) 6.172 10.275 ( 0.000 -3.640 0.000) 3.640 10.286 ( 0.000 -8.277 0.000) 8.277 10.620 ( 0.000 2.710 0.000) 2.710 10.803 ( 0.000 11.831 0.000) 11.831 11.239 ( 0.000 14.338 0.000) 14.338 11.251 ( 0.000 5.545 0.000) 5.545 11.275 ( 0.000 -14.665 0.000) 14.665 11.621 ( 0.000 7.168 0.000) 7.168 11.784 ( 0.000 1.500 0.000) 1.500 11.867 ( 0.000 0.184 0.000) 0.184 11.868 ( 0.000 -4.492 0.000) 4.492 12.115 ( 0.000 4.543 0.000) 4.543 12.317 ( 0.000 -11.421 0.000) 11.421 12.425 ( 0.000 -7.494 0.000) 7.494 12.518 ( 0.000 9.973 0.000) 9.973 12.681 ( 0.000 -18.179 0.000) 18.179 12.763 ( 0.000 -5.048 0.000) 5.048 12.773 ( 0.000 3.297 0.000) 3.297 13.296 ( 0.000 14.889 0.000) 14.889 13.420 ( 0.000 -19.930 0.000) 19.930 13.466 ( 0.000 0.375 0.000) 0.375 13.495 ( 0.000 1.863 0.000) 1.863 13.770 ( 0.000 -8.744 0.000) 8.744 13.935 ( 0.000 -0.401 0.000) 0.401 15.957 ( 0.000 -2.516 0.000) 2.516 16.208 ( 0.000 -0.997 0.000) 0.997 16.347 ( 0.000 3.292 0.000) 3.292 16.359 ( 0.000 -6.247 0.000) 6.247 16.672 ( 0.000 -12.663 0.000) 12.663 16.744 ( 0.000 -10.219 0.000) 10.219 16.824 ( 0.000 -12.865 0.000) 12.865 16.944 ( 0.000 -10.671 0.000) 10.671 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.325 ( 3.585 12.867 0.000) 13.357 2.457 ( 1.465 12.112 0.000) 12.201 2.534 ( 1.104 2.881 0.000) 3.086 2.567 ( 0.588 8.215 0.000) 8.236 2.654 ( 0.879 -0.446 0.000) 0.985 2.802 ( -2.687 3.990 0.000) 4.811 2.930 ( 0.289 8.469 0.000) 8.474 3.044 ( 0.469 6.913 0.000) 6.929 3.201 ( 4.967 -2.950 0.000) 5.777 3.231 ( -0.112 2.936 0.000) 2.938 3.266 ( -2.716 4.271 0.000) 5.061 3.434 ( -6.734 8.698 0.000) 11.000 3.580 ( 2.345 1.961 0.000) 3.057 3.599 ( 0.850 -1.693 0.000) 1.894 3.896 ( -2.501 0.921 0.000) 2.666 3.975 ( -10.472 -3.125 0.000) 10.928 4.027 ( -3.278 -0.443 0.000) 3.308 4.128 ( 2.494 0.848 0.000) 2.634 4.407 ( 7.230 -0.702 0.000) 7.264 4.423 ( 0.227 -2.900 0.000) 2.909 4.556 ( -2.816 7.883 0.000) 8.371 4.605 ( 3.338 0.158 0.000) 3.341 4.721 ( 4.009 13.536 0.000) 14.117 4.983 ( -0.642 1.227 0.000) 1.384 4.993 ( -7.013 17.148 0.000) 18.526 5.051 ( 2.488 -3.318 0.000) 4.147 5.128 ( 2.089 6.016 0.000) 6.368 5.168 ( -3.939 9.530 0.000) 10.313 5.258 ( 0.806 24.220 0.000) 24.233 5.367 ( 4.778 14.094 0.000) 14.882 5.417 ( -0.962 15.569 0.000) 15.599 5.705 ( -0.333 19.851 0.000) 19.854 5.770 ( 0.185 19.099 0.000) 19.099 5.891 ( 1.144 17.694 0.000) 17.731 6.002 ( -1.661 19.112 0.000) 19.184 6.011 ( -1.031 12.496 0.000) 12.539 6.288 ( 2.862 1.941 0.000) 3.458 6.387 ( 4.578 5.722 0.000) 7.328 6.508 ( -1.430 -0.171 0.000) 1.440 6.718 ( -3.879 0.179 0.000) 3.883 8.032 ( 0.682 0.989 0.000) 1.201 8.070 ( 0.315 0.359 0.000) 0.477 8.304 ( 0.355 -0.914 0.000) 0.981 8.371 ( 1.661 0.288 0.000) 1.686 8.816 ( 2.509 4.538 0.000) 5.185 8.990 ( 9.029 3.004 0.000) 9.516 9.302 ( -5.185 0.285 0.000) 5.193 9.412 ( 2.282 -0.159 0.000) 2.287 9.792 ( 2.346 0.255 0.000) 2.360 10.033 ( 2.561 0.193 0.000) 2.568 10.166 ( 3.329 -4.724 0.000) 5.779 10.167 ( 0.742 4.370 0.000) 4.433 10.283 ( 2.156 -3.879 0.000) 4.438 10.366 ( 5.429 -8.289 0.000) 9.908 10.645 ( 2.645 4.561 0.000) 5.273 10.845 ( 3.251 9.949 0.000) 10.467 11.163 ( -6.193 -8.240 0.000) 10.308 11.176 ( -7.758 0.133 0.000) 7.759 11.274 ( 1.533 9.372 0.000) 9.496 11.518 ( -6.524 7.856 0.000) 10.212 11.564 ( -15.173 -1.864 0.000) 15.287 11.900 ( -5.750 0.735 0.000) 5.797 11.993 ( 5.011 1.837 0.000) 5.337 12.004 ( -2.875 4.734 0.000) 5.538 12.267 ( -1.756 -2.968 0.000) 3.449 12.438 ( 2.325 -9.344 0.000) 9.629 12.653 ( 4.865 8.834 0.000) 10.085 12.706 ( 0.607 -16.869 0.000) 16.880 12.723 ( 6.599 -11.225 0.000) 13.021 12.934 ( 8.687 4.492 0.000) 9.780 13.265 ( -3.941 11.581 0.000) 12.233 13.327 ( -8.338 6.233 0.000) 10.410 13.384 ( -3.221 -18.858 0.000) 19.132 13.478 ( -4.281 -2.757 0.000) 5.092 13.783 ( 1.272 -7.641 0.000) 7.746 13.918 ( -1.744 -0.986 0.000) 2.003 16.013 ( 4.963 -2.378 0.000) 5.503 16.192 ( -1.087 -1.502 0.000) 1.854 16.348 ( -0.800 -6.148 0.000) 6.200 16.361 ( 0.574 1.762 0.000) 1.854 16.676 ( 0.311 -12.078 0.000) 12.082 16.713 ( -1.988 -10.242 0.000) 10.433 16.873 ( 3.386 -12.072 0.000) 12.538 16.943 ( 0.010 -10.410 0.000) 10.410 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.404 ( 3.959 11.214 0.000) 11.893 2.470 ( -1.427 10.607 0.000) 10.702 2.544 ( 0.173 5.170 0.000) 5.173 2.566 ( -1.031 8.033 0.000) 8.099 2.693 ( 4.302 0.589 0.000) 4.342 2.767 ( -1.633 1.670 0.000) 2.335 2.946 ( 2.110 3.578 0.000) 4.154 3.045 ( -5.899 2.386 0.000) 6.363 3.164 ( 3.514 12.994 0.000) 13.461 3.238 ( -2.845 10.927 0.000) 11.291 3.332 ( 3.721 -0.832 0.000) 3.812 3.365 ( 1.034 -0.707 0.000) 1.253 3.619 ( 1.508 -2.214 0.000) 2.679 3.634 ( 2.969 -0.126 0.000) 2.972 3.748 ( -9.551 0.025 0.000) 9.551 3.755 ( -7.748 0.071 0.000) 7.748 4.068 ( 5.019 0.437 0.000) 5.038 4.159 ( -2.196 -3.767 0.000) 4.360 4.409 ( 1.589 7.179 0.000) 7.353 4.481 ( -4.321 8.164 0.000) 9.237 4.569 ( 8.329 4.534 0.000) 9.483 4.685 ( 0.264 -3.969 0.000) 3.978 4.810 ( 3.676 7.586 0.000) 8.430 4.846 ( -4.145 16.594 0.000) 17.104 4.953 ( -1.365 4.879 0.000) 5.067 5.002 ( -5.431 10.004 0.000) 11.383 5.179 ( 2.304 -4.376 0.000) 4.946 5.179 ( 2.106 1.643 0.000) 2.671 5.286 ( 2.098 22.544 0.000) 22.641 5.348 ( -3.757 19.530 0.000) 19.888 5.503 ( 6.926 12.241 0.000) 14.065 5.636 ( -5.714 12.615 0.000) 13.849 5.822 ( 4.052 21.946 0.000) 22.317 5.902 ( -2.430 20.625 0.000) 20.768 5.960 ( 0.071 20.363 0.000) 20.363 5.986 ( -1.425 17.725 0.000) 17.782 6.381 ( 5.136 -0.119 0.000) 5.138 6.464 ( -3.039 0.186 0.000) 3.045 6.489 ( 5.624 4.076 0.000) 6.946 6.612 ( -6.226 1.339 0.000) 6.368 8.049 ( 0.927 0.499 0.000) 1.053 8.067 ( -0.657 0.234 0.000) 0.698 8.336 ( 2.582 -0.275 0.000) 2.597 8.381 ( -1.145 -0.788 0.000) 1.390 8.922 ( 8.090 5.811 0.000) 9.961 9.104 ( -7.077 4.525 0.000) 8.400 9.237 ( 7.803 1.334 0.000) 7.916 9.395 ( -4.955 1.353 0.000) 5.137 9.890 ( 6.476 -1.432 0.000) 6.632 10.012 ( -4.657 -1.462 0.000) 4.881 10.242 ( 7.060 -2.851 0.000) 7.614 10.272 ( 6.264 -3.382 0.000) 7.118 10.354 ( 1.196 -2.677 0.000) 2.932 10.394 ( -4.171 -6.121 0.000) 7.407 10.765 ( 10.475 5.944 0.000) 12.044 10.862 ( -0.523 -0.671 0.000) 0.851 10.991 ( -7.187 -5.069 0.000) 8.795 11.125 ( -12.248 6.704 0.000) 13.963 11.238 ( 6.753 -8.591 0.000) 10.927 11.383 ( 2.627 10.948 0.000) 11.259 11.417 ( -4.559 9.759 0.000) 10.772 11.591 ( -17.716 -0.332 0.000) 17.720 12.043 ( 1.061 5.430 0.000) 5.532 12.044 ( 0.760 4.473 0.000) 4.537 12.325 ( 7.857 -3.131 0.000) 8.458 12.475 ( -2.426 -7.805 0.000) 8.173 12.665 ( -2.414 -8.880 0.000) 9.203 12.667 ( -0.587 -0.351 0.000) 0.684 12.958 ( 11.770 -7.337 0.000) 13.870 13.096 ( 7.165 8.990 0.000) 11.496 13.136 ( -6.396 -2.436 0.000) 6.844 13.218 ( -4.873 12.139 0.000) 13.080 13.317 ( -2.215 -14.228 0.000) 14.399 13.354 ( -6.073 -6.746 0.000) 9.077 13.819 ( 2.270 -5.174 0.000) 5.650 13.871 ( -2.673 -2.679 0.000) 3.785 16.118 ( 4.429 -2.390 0.000) 5.033 16.172 ( -1.226 -2.470 0.000) 2.757 16.338 ( 0.080 -4.793 0.000) 4.793 16.354 ( -1.087 -1.545 0.000) 1.889 16.679 ( -0.043 -10.749 0.000) 10.749 16.684 ( -0.762 -10.089 0.000) 10.118 16.929 ( 1.822 -11.030 0.000) 11.180 16.945 ( -0.049 -10.325 0.000) 10.325 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.517 ( 0.000 10.726 0.000) 10.726 2.531 ( 0.000 2.120 0.000) 2.120 2.620 ( 0.000 -0.739 0.000) 0.739 2.713 ( 0.000 9.796 0.000) 9.796 2.721 ( 0.000 6.875 0.000) 6.875 2.883 ( 0.000 0.893 0.000) 0.893 3.048 ( 0.000 -2.770 0.000) 2.770 3.055 ( 0.000 -5.483 0.000) 5.483 3.153 ( 0.000 10.285 0.000) 10.285 3.376 ( 0.000 11.727 0.000) 11.727 3.402 ( 0.000 2.844 0.000) 2.844 3.458 ( 0.000 -2.100 0.000) 2.100 3.558 ( 0.000 -0.871 0.000) 0.871 3.791 ( 0.000 8.385 0.000) 8.385 3.883 ( 0.000 -1.094 0.000) 1.094 3.964 ( 0.000 -6.042 0.000) 6.042 4.041 ( 0.000 -4.706 0.000) 4.706 4.149 ( 0.000 -3.403 0.000) 3.403 4.166 ( 0.000 -6.994 0.000) 6.994 4.225 ( 0.000 -5.912 0.000) 5.912 4.595 ( 0.000 -1.306 0.000) 1.306 4.650 ( 0.000 1.355 0.000) 1.355 4.786 ( 0.000 -8.650 0.000) 8.650 4.943 ( 0.000 3.349 0.000) 3.349 5.061 ( 0.000 0.668 0.000) 0.668 5.083 ( 0.000 6.533 0.000) 6.533 5.425 ( 0.000 10.661 0.000) 10.661 5.465 ( 0.000 11.570 0.000) 11.570 5.597 ( 0.000 10.969 0.000) 10.969 5.636 ( 0.000 8.704 0.000) 8.704 5.788 ( 0.000 23.152 0.000) 23.152 6.068 ( 0.000 14.535 0.000) 14.535 6.105 ( 0.000 12.967 0.000) 12.967 6.132 ( 0.000 10.031 0.000) 10.031 6.231 ( 0.000 9.326 0.000) 9.326 6.286 ( 0.000 6.523 0.000) 6.523 6.396 ( 0.000 10.207 0.000) 10.207 6.480 ( 0.000 8.163 0.000) 8.163 6.540 ( 0.000 2.116 0.000) 2.116 6.738 ( 0.000 -2.211 0.000) 2.211 8.104 ( 0.000 6.155 0.000) 6.155 8.105 ( 0.000 3.272 0.000) 3.272 8.269 ( 0.000 -1.508 0.000) 1.508 8.379 ( 0.000 1.035 0.000) 1.035 8.887 ( 0.000 5.900 0.000) 5.900 8.992 ( 0.000 5.542 0.000) 5.542 9.282 ( 0.000 -3.868 0.000) 3.868 9.323 ( 0.000 -4.409 0.000) 4.409 9.885 ( 0.000 7.092 0.000) 7.092 10.024 ( 0.000 1.651 0.000) 1.651 10.037 ( 0.000 -2.287 0.000) 2.287 10.125 ( 0.000 -7.518 0.000) 7.518 10.152 ( 0.000 -3.028 0.000) 3.028 10.406 ( 0.000 12.226 0.000) 12.226 10.698 ( 0.000 5.758 0.000) 5.758 10.913 ( 0.000 -17.350 0.000) 17.350 11.067 ( 0.000 10.947 0.000) 10.947 11.238 ( 0.000 -5.814 0.000) 5.814 11.509 ( 0.000 12.416 0.000) 12.416 11.638 ( 0.000 -22.134 0.000) 22.134 11.744 ( 0.000 -5.372 0.000) 5.372 11.765 ( 0.000 7.292 0.000) 7.292 11.792 ( 0.000 -2.914 0.000) 2.914 12.032 ( 0.000 -4.794 0.000) 4.794 12.274 ( 0.000 -7.621 0.000) 7.621 12.323 ( 0.000 -16.202 0.000) 16.202 12.338 ( 0.000 7.481 0.000) 7.481 12.663 ( 0.000 4.284 0.000) 4.284 12.743 ( 0.000 0.655 0.000) 0.655 12.901 ( 0.000 6.503 0.000) 6.503 13.041 ( 0.000 -14.886 0.000) 14.886 13.504 ( 0.000 3.113 0.000) 3.113 13.537 ( 0.000 7.873 0.000) 7.873 13.551 ( 0.000 4.183 0.000) 4.183 13.573 ( 0.000 -10.763 0.000) 10.763 13.893 ( 0.000 -3.975 0.000) 3.975 15.952 ( 0.000 1.938 0.000) 1.938 16.202 ( 0.000 0.325 0.000) 0.325 16.239 ( 0.000 -5.845 0.000) 5.845 16.384 ( 0.000 -2.676 0.000) 2.676 16.510 ( 0.000 -0.838 0.000) 0.838 16.586 ( 0.000 -5.625 0.000) 5.625 16.625 ( 0.000 -7.219 0.000) 7.219 16.781 ( 0.000 -6.253 0.000) 6.253 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.550 ( 2.739 10.077 0.000) 10.443 2.552 ( 2.257 1.866 0.000) 2.928 2.634 ( 0.571 -0.442 0.000) 0.722 2.708 ( 0.178 9.264 0.000) 9.266 2.716 ( -0.484 6.499 0.000) 6.517 2.852 ( -2.610 1.154 0.000) 2.854 3.031 ( -2.591 -0.875 0.000) 2.735 3.071 ( 1.775 -2.380 0.000) 2.969 3.172 ( 2.905 2.665 0.000) 3.942 3.344 ( -3.805 4.724 0.000) 6.066 3.389 ( 0.819 9.251 0.000) 9.287 3.499 ( 2.515 -3.569 0.000) 4.366 3.591 ( 2.205 -0.128 0.000) 2.208 3.673 ( -6.695 9.990 0.000) 12.026 3.887 ( -6.763 -5.154 0.000) 8.503 3.891 ( -4.245 -0.553 0.000) 4.281 4.004 ( 1.178 -1.491 0.000) 1.900 4.096 ( -1.730 -2.357 0.000) 2.924 4.301 ( 9.287 -7.597 0.000) 11.998 4.329 ( 6.343 -6.596 0.000) 9.151 4.579 ( -0.732 -0.966 0.000) 1.211 4.629 ( -2.157 1.434 0.000) 2.591 4.867 ( 6.167 -9.677 0.000) 11.475 4.939 ( -0.217 0.909 0.000) 0.934 5.063 ( 1.060 6.018 0.000) 6.111 5.110 ( 1.669 3.021 0.000) 3.452 5.312 ( -7.741 12.449 0.000) 14.660 5.390 ( -7.663 9.797 0.000) 12.438 5.633 ( 3.369 10.860 0.000) 11.370 5.674 ( 2.359 9.741 0.000) 10.023 5.756 ( -2.609 20.813 0.000) 20.976 6.011 ( -5.857 10.934 0.000) 12.404 6.130 ( 3.622 15.793 0.000) 16.203 6.190 ( 4.747 11.217 0.000) 12.180 6.276 ( 2.790 11.683 0.000) 12.012 6.315 ( 2.269 8.256 0.000) 8.562 6.379 ( -1.247 9.979 0.000) 10.056 6.503 ( 2.176 5.890 0.000) 6.279 6.529 ( -1.121 2.211 0.000) 2.479 6.709 ( -2.744 -1.392 0.000) 3.077 8.098 ( -0.439 5.289 0.000) 5.307 8.106 ( 0.018 3.141 0.000) 3.141 8.286 ( 1.572 -1.192 0.000) 1.972 8.381 ( -0.084 -0.089 0.000) 0.123 8.938 ( 5.073 7.726 0.000) 9.243 9.065 ( 7.003 4.705 0.000) 8.437 9.302 ( 0.804 -0.611 0.000) 1.010 9.378 ( 4.330 -3.175 0.000) 5.369 9.857 ( -1.323 5.900 0.000) 6.047 10.019 ( -1.092 -0.872 0.000) 1.398 10.074 ( 3.801 -3.176 0.000) 4.953 10.188 ( 4.609 -8.978 0.000) 10.092 10.192 ( 4.058 -2.830 0.000) 4.947 10.313 ( -7.301 7.544 0.000) 10.498 10.763 ( 4.956 7.790 0.000) 9.233 10.820 ( -7.583 -16.450 0.000) 18.114 11.069 ( -12.747 -9.325 0.000) 15.794 11.107 ( 3.831 10.297 0.000) 10.986 11.501 ( -5.479 8.736 0.000) 10.312 11.572 ( -4.604 3.988 0.000) 6.091 11.640 ( -0.504 -0.686 0.000) 0.852 11.852 ( 3.365 -11.439 0.000) 11.924 11.926 ( -7.557 1.678 0.000) 7.741 11.972 ( 8.778 -4.324 0.000) 9.785 12.212 ( -1.807 -12.042 0.000) 12.177 12.266 ( -4.022 3.442 0.000) 5.294 12.383 ( 2.419 -14.193 0.000) 14.398 12.633 ( -2.534 -2.395 0.000) 3.487 12.810 ( 5.862 5.341 0.000) 7.930 13.022 ( 7.558 -3.925 0.000) 8.516 13.066 ( 4.608 -2.257 0.000) 5.131 13.395 ( -9.435 4.678 0.000) 10.531 13.469 ( -6.999 1.767 0.000) 7.218 13.515 ( -3.124 8.040 0.000) 8.626 13.607 ( 3.232 -9.752 0.000) 10.273 13.866 ( -2.650 -4.167 0.000) 4.938 16.004 ( 4.480 1.256 0.000) 4.652 16.179 ( -1.774 0.180 0.000) 1.783 16.231 ( -0.422 -5.538 0.000) 5.554 16.359 ( -2.437 -3.652 0.000) 4.390 16.536 ( 1.904 -0.633 0.000) 2.006 16.567 ( -0.813 -4.417 0.000) 4.492 16.680 ( 3.906 -7.444 0.000) 8.406 16.784 ( 0.204 -6.133 0.000) 6.136 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.595 ( 1.161 7.913 0.000) 7.998 2.600 ( 0.860 3.123 0.000) 3.240 2.655 ( 3.166 3.442 0.000) 4.677 2.705 ( -0.756 6.240 0.000) 6.286 2.726 ( 1.392 4.977 0.000) 5.168 2.784 ( -4.069 0.087 0.000) 4.069 3.002 ( 0.906 1.263 0.000) 1.554 3.061 ( -3.340 -1.099 0.000) 3.516 3.253 ( 4.234 -2.292 0.000) 4.815 3.309 ( -0.763 0.220 0.000) 0.795 3.419 ( 3.589 9.120 0.000) 9.800 3.507 ( -2.241 -2.951 0.000) 3.706 3.582 ( -2.136 10.477 0.000) 10.692 3.601 ( -1.890 -0.942 0.000) 2.112 3.779 ( -2.105 3.176 0.000) 3.810 3.795 ( -3.262 3.834 0.000) 5.033 4.043 ( 1.774 -2.582 0.000) 3.132 4.071 ( -1.091 -4.287 0.000) 4.423 4.450 ( 5.270 -5.537 0.000) 7.644 4.467 ( 5.788 -9.895 0.000) 11.464 4.564 ( -1.254 -1.726 0.000) 2.133 4.568 ( -3.381 2.798 0.000) 4.389 4.950 ( 1.584 -2.332 0.000) 2.819 4.966 ( 2.072 -9.603 0.000) 9.824 5.115 ( 4.097 8.903 0.000) 9.800 5.133 ( 0.593 3.557 0.000) 3.607 5.171 ( -4.825 11.579 0.000) 12.544 5.230 ( -7.240 9.538 0.000) 11.975 5.675 ( 1.201 12.822 0.000) 12.878 5.706 ( -2.076 16.906 0.000) 17.033 5.756 ( 5.468 10.335 0.000) 11.693 5.880 ( -6.642 9.974 0.000) 11.983 6.213 ( 4.132 16.587 0.000) 17.094 6.267 ( 0.935 14.557 0.000) 14.587 6.314 ( 0.746 13.516 0.000) 13.537 6.316 ( -1.072 14.604 0.000) 14.643 6.410 ( 4.018 3.123 0.000) 5.089 6.488 ( -3.111 2.365 0.000) 3.908 6.561 ( 3.453 2.815 0.000) 4.455 6.638 ( -3.973 0.526 0.000) 4.007 8.094 ( 0.130 3.921 0.000) 3.923 8.101 ( -0.447 3.190 0.000) 3.221 8.327 ( 2.247 -1.220 0.000) 2.557 8.366 ( -1.460 -1.354 0.000) 1.991 9.081 ( 8.390 9.673 0.000) 12.804 9.216 ( 0.556 6.178 0.000) 6.203 9.288 ( 3.469 4.275 0.000) 5.506 9.414 ( -2.872 0.961 0.000) 3.028 9.892 ( 4.898 1.652 0.000) 5.169 9.986 ( -2.553 -1.837 0.000) 3.146 10.182 ( 6.059 -4.656 0.000) 7.641 10.188 ( -2.586 -1.058 0.000) 2.794 10.225 ( -2.034 -10.032 0.000) 10.236 10.262 ( 0.415 -6.267 0.000) 6.281 10.708 ( -1.429 -13.621 0.000) 13.696 10.771 ( -6.561 -8.787 0.000) 10.966 10.960 ( 7.019 6.436 0.000) 9.523 11.153 ( -6.041 3.409 0.000) 6.936 11.351 ( 2.744 12.256 0.000) 12.559 11.581 ( -12.726 7.698 0.000) 14.873 11.593 ( 2.264 8.843 0.000) 9.128 11.639 ( -4.653 2.180 0.000) 5.139 12.018 ( 5.318 -7.934 0.000) 9.552 12.063 ( 0.497 -3.299 0.000) 3.336 12.223 ( -0.024 -2.407 0.000) 2.407 12.235 ( 1.274 -12.436 0.000) 12.501 12.425 ( 3.701 -13.867 0.000) 14.353 12.544 ( -6.230 -11.048 0.000) 12.684 12.969 ( 9.478 4.167 0.000) 10.354 13.129 ( 6.506 -4.051 0.000) 7.664 13.177 ( -11.039 4.479 0.000) 11.914 13.249 ( 9.589 6.785 0.000) 11.746 13.296 ( -9.348 -0.189 0.000) 9.350 13.415 ( -6.721 7.646 0.000) 10.181 13.692 ( 4.848 -7.444 0.000) 8.884 13.790 ( -4.634 -5.281 0.000) 7.026 16.095 ( 3.727 -0.051 0.000) 3.727 16.145 ( -1.654 -0.365 0.000) 1.694 16.239 ( 1.641 -4.904 0.000) 5.172 16.296 ( -3.453 -4.406 0.000) 5.598 16.561 ( 0.105 -2.418 0.000) 2.420 16.561 ( 0.441 -1.066 0.000) 1.153 16.751 ( 2.711 -7.082 0.000) 7.583 16.783 ( -0.554 -6.370 0.000) 6.394 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.569 ( 0.000 1.732 0.000) 1.732 2.600 ( 0.000 -1.290 0.000) 1.290 2.720 ( 0.000 9.721 0.000) 9.721 2.823 ( 0.000 2.937 0.000) 2.937 2.875 ( 0.000 6.579 0.000) 6.579 2.881 ( 0.000 -0.949 0.000) 0.949 2.918 ( 0.000 -7.719 0.000) 7.719 2.980 ( 0.000 -4.191 0.000) 4.191 3.325 ( 0.000 6.730 0.000) 6.730 3.416 ( 0.000 -2.712 0.000) 2.712 3.464 ( 0.000 3.279 0.000) 3.279 3.523 ( 0.000 -2.508 0.000) 2.508 3.604 ( 0.000 11.009 0.000) 11.009 3.808 ( 0.000 -9.298 0.000) 9.298 3.874 ( 0.000 0.687 0.000) 0.687 3.902 ( 0.000 0.618 0.000) 0.618 3.972 ( 0.000 0.630 0.000) 0.630 4.047 ( 0.000 -5.001 0.000) 5.001 4.104 ( 0.000 -0.706 0.000) 0.706 4.130 ( 0.000 -3.285 0.000) 3.285 4.587 ( 0.000 1.017 0.000) 1.017 4.647 ( 0.000 -5.101 0.000) 5.101 4.703 ( 0.000 4.638 0.000) 4.638 4.831 ( 0.000 -7.727 0.000) 7.727 5.170 ( 0.000 4.106 0.000) 4.106 5.184 ( 0.000 2.632 0.000) 2.632 5.580 ( 0.000 4.775 0.000) 4.775 5.605 ( 0.000 2.636 0.000) 2.636 5.742 ( 0.000 3.620 0.000) 3.620 5.749 ( 0.000 2.711 0.000) 2.711 6.135 ( 0.000 11.402 0.000) 11.402 6.233 ( 0.000 1.601 0.000) 1.601 6.282 ( 0.000 5.166 0.000) 5.166 6.299 ( 0.000 6.375 0.000) 6.375 6.335 ( 0.000 -0.193 0.000) 0.193 6.345 ( 0.000 1.721 0.000) 1.721 6.576 ( 0.000 5.629 0.000) 5.629 6.600 ( 0.000 3.717 0.000) 3.717 6.601 ( 0.000 2.963 0.000) 2.963 6.676 ( 0.000 -3.723 0.000) 3.723 8.178 ( 0.000 3.645 0.000) 3.645 8.236 ( 0.000 -2.109 0.000) 2.109 8.244 ( 0.000 7.117 0.000) 7.117 8.357 ( 0.000 -3.646 0.000) 3.646 9.032 ( 0.000 8.402 0.000) 8.402 9.099 ( 0.000 5.128 0.000) 5.128 9.197 ( 0.000 -4.689 0.000) 4.689 9.199 ( 0.000 -7.804 0.000) 7.804 9.943 ( 0.000 1.028 0.000) 1.028 10.001 ( 0.000 -4.770 0.000) 4.770 10.061 ( 0.000 2.053 0.000) 2.053 10.103 ( 0.000 -2.126 0.000) 2.126 10.184 ( 0.000 14.713 0.000) 14.713 10.529 ( 0.000 -19.208 0.000) 19.208 10.707 ( 0.000 18.097 0.000) 18.097 10.850 ( 0.000 8.716 0.000) 8.716 11.071 ( 0.000 -9.747 0.000) 9.747 11.156 ( 0.000 -23.457 0.000) 23.457 11.323 ( 0.000 13.300 0.000) 13.300 11.573 ( 0.000 -10.941 0.000) 10.941 11.710 ( 0.000 6.130 0.000) 6.130 11.760 ( 0.000 -0.618 0.000) 0.618 11.895 ( 0.000 5.397 0.000) 5.397 11.972 ( 0.000 -2.630 0.000) 2.630 12.096 ( 0.000 -5.014 0.000) 5.014 12.130 ( 0.000 -6.229 0.000) 6.229 12.484 ( 0.000 7.738 0.000) 7.738 12.668 ( 0.000 -8.855 0.000) 8.855 12.748 ( 0.000 -2.258 0.000) 2.258 12.751 ( 0.000 -0.081 0.000) 0.081 13.140 ( 0.000 10.694 0.000) 10.694 13.355 ( 0.000 -10.938 0.000) 10.938 13.571 ( 0.000 3.058 0.000) 3.058 13.600 ( 0.000 0.689 0.000) 0.689 13.668 ( 0.000 5.728 0.000) 5.728 13.788 ( 0.000 -6.098 0.000) 6.098 16.022 ( 0.000 4.687 0.000) 4.687 16.126 ( 0.000 -5.547 0.000) 5.547 16.224 ( 0.000 2.079 0.000) 2.079 16.289 ( 0.000 -4.477 0.000) 4.477 16.518 ( 0.000 -1.341 0.000) 1.341 16.530 ( 0.000 -2.534 0.000) 2.534 16.578 ( 0.000 4.860 0.000) 4.860 16.675 ( 0.000 -4.887 0.000) 4.887 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.586 ( 1.887 1.604 0.000) 2.476 2.615 ( 1.471 -1.266 0.000) 1.941 2.735 ( 0.815 8.382 0.000) 8.421 2.818 ( -0.289 3.346 0.000) 3.358 2.850 ( -2.825 -0.987 0.000) 2.993 2.874 ( -0.076 7.171 0.000) 7.171 2.932 ( 1.071 -6.719 0.000) 6.804 2.995 ( 0.885 -5.022 0.000) 5.099 3.279 ( -2.599 6.255 0.000) 6.773 3.400 ( -1.737 -5.756 0.000) 6.012 3.431 ( -3.073 4.093 0.000) 5.118 3.491 ( -2.658 -0.841 0.000) 2.787 3.645 ( 3.105 6.657 0.000) 7.345 3.777 ( -1.270 -5.984 0.000) 6.117 3.863 ( -0.621 6.681 0.000) 6.710 3.893 ( -1.106 0.683 0.000) 1.300 3.988 ( 1.472 1.887 0.000) 2.393 4.086 ( -1.190 2.143 0.000) 2.451 4.130 ( 6.306 -9.258 0.000) 11.202 4.184 ( 3.891 -7.092 0.000) 8.089 4.598 ( 1.172 3.010 0.000) 3.230 4.686 ( -1.527 4.901 0.000) 5.134 4.698 ( 4.033 -6.998 0.000) 8.077 4.818 ( -1.028 -7.869 0.000) 7.936 5.187 ( 1.734 3.941 0.000) 4.306 5.198 ( 1.388 2.761 0.000) 3.090 5.489 ( -7.197 5.234 0.000) 8.899 5.516 ( -7.443 2.570 0.000) 7.874 5.780 ( 3.138 3.925 0.000) 5.025 5.794 ( 3.420 2.481 0.000) 4.225 6.056 ( -5.673 9.362 0.000) 10.946 6.134 ( -6.796 1.306 0.000) 6.920 6.343 ( 5.132 4.805 0.000) 7.031 6.369 ( 4.950 7.790 0.000) 9.230 6.386 ( 4.353 0.572 0.000) 4.391 6.423 ( 4.627 2.548 0.000) 5.283 6.565 ( -1.087 5.837 0.000) 5.937 6.590 ( -1.170 3.573 0.000) 3.759 6.596 ( -0.334 2.391 0.000) 2.414 6.661 ( -1.560 -3.317 0.000) 3.665 8.181 ( 0.164 3.923 0.000) 3.927 8.224 ( -1.571 6.780 0.000) 6.960 8.248 ( 1.095 -2.689 0.000) 2.903 8.340 ( -1.468 -4.265 0.000) 4.510 9.112 ( 7.234 9.211 0.000) 11.712 9.171 ( 6.898 5.551 0.000) 8.854 9.265 ( 6.009 -3.392 0.000) 6.901 9.279 ( 6.983 -6.988 0.000) 9.879 9.943 ( -0.588 2.302 0.000) 2.376 10.028 ( 1.621 -6.586 0.000) 6.783 10.033 ( -2.787 2.669 0.000) 3.859 10.113 ( 0.328 -4.632 0.000) 4.644 10.154 ( -1.312 12.065 0.000) 12.136 10.464 ( -5.060 -17.761 0.000) 18.468 10.519 ( -12.430 12.793 0.000) 17.837 10.790 ( -13.735 -12.422 0.000) 18.519 11.018 ( 7.266 12.320 0.000) 14.303 11.342 ( 1.025 12.328 0.000) 12.371 11.344 ( 9.021 -19.026 0.000) 21.056 11.542 ( -2.580 -4.954 0.000) 5.585 11.706 ( 0.437 6.878 0.000) 6.892 11.848 ( 6.660 -6.849 0.000) 9.553 11.877 ( -2.336 5.611 0.000) 6.078 11.949 ( -1.704 -0.763 0.000) 1.867 12.054 ( -2.001 -1.198 0.000) 2.332 12.155 ( 1.062 -9.021 0.000) 9.083 12.347 ( -8.848 5.333 0.000) 10.330 12.501 ( -10.062 -9.491 0.000) 13.832 12.869 ( 8.436 2.029 0.000) 8.677 12.910 ( 8.981 -2.279 0.000) 9.265 13.216 ( 6.974 9.332 0.000) 11.650 13.409 ( 4.996 -9.993 0.000) 11.173 13.472 ( -8.747 2.946 0.000) 9.230 13.501 ( -8.690 0.379 0.000) 8.698 13.644 ( -2.916 5.806 0.000) 6.497 13.762 ( -2.871 -5.928 0.000) 6.586 16.053 ( 2.692 3.402 0.000) 4.339 16.132 ( 0.664 -4.467 0.000) 4.516 16.200 ( -2.027 2.086 0.000) 2.909 16.264 ( -2.254 -4.358 0.000) 4.906 16.529 ( 1.340 0.271 0.000) 1.367 16.570 ( 3.195 -3.775 0.000) 4.946 16.590 ( 0.862 4.280 0.000) 4.366 16.680 ( 0.330 -4.690 0.000) 4.702 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.644 ( 3.483 1.586 0.000) 3.828 2.666 ( 4.016 -0.627 0.000) 4.065 2.714 ( -2.966 4.029 0.000) 5.004 2.766 ( -5.089 -1.405 0.000) 5.279 2.836 ( 1.737 6.540 0.000) 6.766 2.866 ( -0.924 7.215 0.000) 7.274 2.960 ( 1.726 -5.143 0.000) 5.425 2.993 ( -1.157 -5.343 0.000) 5.467 3.271 ( 2.058 4.091 0.000) 4.579 3.346 ( -4.725 3.539 0.000) 5.904 3.383 ( 0.862 -6.580 0.000) 6.636 3.431 ( -3.235 -4.313 0.000) 5.392 3.704 ( 3.605 7.711 0.000) 8.513 3.798 ( -4.873 7.618 0.000) 9.043 3.815 ( 4.098 -2.135 0.000) 4.621 3.882 ( -1.697 1.057 0.000) 1.999 4.023 ( 1.955 5.135 0.000) 5.494 4.059 ( -1.499 5.465 0.000) 5.666 4.236 ( 3.269 -12.506 0.000) 12.926 4.249 ( 1.823 -11.476 0.000) 11.620 4.626 ( 1.371 5.641 0.000) 5.806 4.653 ( -1.480 5.959 0.000) 6.140 4.772 ( 2.635 -8.902 0.000) 9.284 4.801 ( -0.717 -8.608 0.000) 8.638 5.241 ( 3.462 3.832 0.000) 5.164 5.247 ( 3.996 3.340 0.000) 5.208 5.341 ( -6.607 4.930 0.000) 8.244 5.360 ( -7.135 3.009 0.000) 7.744 5.852 ( 4.024 5.108 0.000) 6.503 5.881 ( 5.108 2.265 0.000) 5.588 5.944 ( -5.158 7.189 0.000) 8.848 5.998 ( -6.444 1.684 0.000) 6.660 6.451 ( 4.823 4.636 0.000) 6.690 6.460 ( 3.715 7.745 0.000) 8.590 6.477 ( 3.930 2.196 0.000) 4.502 6.493 ( 1.889 4.132 0.000) 4.543 6.531 ( -2.295 6.647 0.000) 7.032 6.548 ( -3.010 3.326 0.000) 4.486 6.591 ( 0.035 -0.117 0.000) 0.122 6.617 ( -2.410 -2.751 0.000) 3.658 8.184 ( 0.247 4.791 0.000) 4.798 8.196 ( -1.012 5.911 0.000) 5.997 8.275 ( 1.483 -3.913 0.000) 4.185 8.307 ( -1.675 -4.672 0.000) 4.963 9.280 ( 8.013 9.490 0.000) 12.421 9.336 ( 6.526 5.367 0.000) 8.450 9.374 ( 3.383 2.403 0.000) 4.149 9.411 ( 3.569 -2.756 0.000) 4.510 9.924 ( 0.396 1.495 0.000) 1.547 9.960 ( -3.301 1.405 0.000) 3.588 10.022 ( -1.478 -8.647 0.000) 8.772 10.072 ( -4.905 -8.584 0.000) 9.887 10.187 ( 4.019 6.494 0.000) 7.637 10.300 ( -7.935 8.897 0.000) 11.922 10.412 ( 1.526 -14.541 0.000) 14.621 10.531 ( -10.103 -13.227 0.000) 16.644 11.174 ( 7.692 13.906 0.000) 15.892 11.311 ( -4.915 11.160 0.000) 12.194 11.476 ( 3.904 -14.890 0.000) 15.393 11.508 ( -0.382 -3.377 0.000) 3.399 11.724 ( 1.511 9.249 0.000) 9.372 11.790 ( -5.045 10.863 0.000) 11.977 11.938 ( 0.486 -2.270 0.000) 2.322 11.943 ( 1.069 -8.210 0.000) 8.280 12.084 ( 5.825 -1.455 0.000) 6.004 12.181 ( 2.595 -9.115 0.000) 9.477 12.202 ( -5.652 0.312 0.000) 5.660 12.304 ( -9.003 -10.378 0.000) 13.739 13.048 ( 9.627 3.305 0.000) 10.179 13.093 ( 9.524 -1.336 0.000) 9.617 13.260 ( -11.214 3.292 0.000) 11.687 13.298 ( -10.617 -0.494 0.000) 10.628 13.385 ( 8.843 7.147 0.000) 11.370 13.536 ( 7.039 -7.958 0.000) 10.624 13.545 ( -6.718 6.130 0.000) 9.095 13.671 ( -5.971 -6.423 0.000) 8.769 16.110 ( 2.629 1.518 0.000) 3.036 16.157 ( -2.167 1.593 0.000) 2.690 16.157 ( 1.977 -3.233 0.000) 3.790 16.209 ( -2.943 -3.700 0.000) 4.728 16.566 ( 1.994 2.305 0.000) 3.048 16.595 ( -0.642 3.416 0.000) 3.476 16.637 ( 2.935 -4.644 0.000) 5.494 16.676 ( -0.955 -4.634 0.000) 4.731 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.605 ( 0.000 0.000 27.878) 27.878 0.635 ( 0.000 0.000 28.743) 28.743 1.119 ( 0.000 0.000 50.221) 50.221 1.621 ( 0.000 0.000 -14.120) 14.120 1.663 ( 0.000 0.000 -18.091) 18.091 2.086 ( 0.000 0.000 -0.049) 0.049 2.119 ( 0.000 0.000 13.174) 13.174 2.260 ( 0.000 0.000 -3.851) 3.851 2.461 ( 0.000 0.000 13.671) 13.671 2.467 ( 0.000 0.000 3.799) 3.799 2.513 ( 0.000 0.000 6.682) 6.682 2.542 ( 0.000 0.000 -1.371) 1.371 2.603 ( 0.000 0.000 -2.680) 2.680 2.741 ( 0.000 0.000 0.148) 0.148 2.786 ( 0.000 0.000 -0.449) 0.449 2.799 ( 0.000 0.000 -5.048) 5.048 2.845 ( 0.000 0.000 -5.604) 5.604 2.868 ( 0.000 0.000 -14.071) 14.071 3.071 ( 0.000 0.000 -16.646) 16.646 3.085 ( 0.000 0.000 4.779) 4.779 3.237 ( 0.000 0.000 -1.965) 1.965 3.260 ( 0.000 0.000 -21.822) 21.822 3.745 ( 0.000 0.000 0.941) 0.941 3.775 ( 0.000 0.000 8.695) 8.695 4.225 ( 0.000 0.000 18.478) 18.478 4.304 ( 0.000 0.000 -8.736) 8.736 4.474 ( 0.000 0.000 -7.369) 7.369 4.806 ( 0.000 0.000 5.333) 5.333 4.872 ( 0.000 0.000 -1.262) 1.262 4.999 ( 0.000 0.000 8.234) 8.234 5.306 ( 0.000 0.000 -12.732) 12.732 5.377 ( 0.000 0.000 4.337) 4.337 5.622 ( 0.000 0.000 4.430) 4.430 5.773 ( 0.000 0.000 -1.511) 1.511 5.823 ( 0.000 0.000 3.718) 3.718 5.890 ( 0.000 0.000 -4.521) 4.521 6.141 ( 0.000 0.000 0.107) 0.107 6.304 ( 0.000 0.000 -3.985) 3.985 6.966 ( 0.000 0.000 10.118) 10.118 7.192 ( 0.000 0.000 0.693) 0.693 7.936 ( 0.000 0.000 5.720) 5.720 8.222 ( 0.000 0.000 2.901) 2.901 8.319 ( 0.000 0.000 5.998) 5.998 8.372 ( 0.000 0.000 -7.951) 7.951 8.615 ( 0.000 0.000 -8.163) 8.163 8.723 ( 0.000 0.000 -7.282) 7.282 8.733 ( 0.000 0.000 1.538) 1.538 8.750 ( 0.000 0.000 -1.195) 1.195 8.984 ( 0.000 0.000 6.866) 6.866 9.164 ( 0.000 0.000 -1.027) 1.027 9.706 ( 0.000 0.000 2.949) 2.949 9.814 ( 0.000 0.000 -1.304) 1.304 9.828 ( 0.000 0.000 6.079) 6.079 10.138 ( 0.000 0.000 -6.190) 6.190 10.524 ( 0.000 0.000 0.931) 0.931 10.548 ( 0.000 0.000 1.120) 1.120 10.606 ( 0.000 0.000 -0.995) 0.995 10.940 ( 0.000 0.000 13.276) 13.276 11.044 ( 0.000 0.000 -16.252) 16.252 11.324 ( 0.000 0.000 0.727) 0.727 11.330 ( 0.000 0.000 -4.363) 4.363 11.369 ( 0.000 0.000 -0.946) 0.946 11.585 ( 0.000 0.000 2.886) 2.886 11.606 ( 0.000 0.000 -0.314) 0.314 12.704 ( 0.000 0.000 8.692) 8.692 12.787 ( 0.000 0.000 0.548) 0.548 12.805 ( 0.000 0.000 0.073) 0.073 12.830 ( 0.000 0.000 -0.341) 0.341 12.833 ( 0.000 0.000 -0.280) 0.280 13.075 ( 0.000 0.000 -4.463) 4.463 13.164 ( 0.000 0.000 0.961) 0.961 13.283 ( 0.000 0.000 -4.175) 4.175 14.116 ( 0.000 0.000 2.259) 2.259 14.170 ( 0.000 0.000 0.327) 0.327 14.400 ( 0.000 0.000 2.250) 2.250 14.556 ( 0.000 0.000 -3.398) 3.398 16.088 ( 0.000 0.000 1.118) 1.118 16.134 ( 0.000 0.000 -0.349) 0.349 16.579 ( 0.000 0.000 -0.978) 0.978 16.611 ( 0.000 0.000 -2.755) 2.755 17.837 ( 0.000 0.000 5.370) 5.370 18.091 ( 0.000 0.000 -4.444) 4.444 18.417 ( 0.000 0.000 3.109) 3.109 18.551 ( 0.000 0.000 -1.778) 1.778 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.836 ( 17.204 0.000 20.903) 27.073 0.897 ( 21.058 0.000 20.021) 29.057 1.390 ( 25.813 0.000 37.468) 45.499 1.668 ( 4.007 0.000 -11.189) 11.884 1.764 ( 8.341 0.000 -17.281) 19.189 1.968 ( -10.560 0.000 0.200) 10.562 2.060 ( -9.476 0.000 11.135) 14.621 2.181 ( -6.709 0.000 -4.310) 7.975 2.471 ( 0.671 0.000 5.102) 5.146 2.491 ( -2.737 0.000 5.676) 6.302 2.517 ( 2.342 0.000 0.426) 2.381 2.588 ( 4.200 0.000 3.309) 5.347 2.601 ( 1.807 0.000 0.148) 1.813 2.690 ( -4.857 0.000 -1.717) 5.152 2.797 ( 3.762 0.000 1.711) 4.133 2.826 ( 0.967 0.000 -8.427) 8.483 2.905 ( 3.488 0.000 -7.109) 7.918 2.918 ( 3.931 0.000 -3.328) 5.150 3.079 ( -0.324 0.000 4.080) 4.092 3.107 ( 4.799 0.000 -14.303) 15.087 3.218 ( -1.871 0.000 -1.880) 2.653 3.297 ( 2.773 0.000 -16.407) 16.639 3.582 ( -8.024 0.000 7.895) 11.256 3.841 ( 1.673 0.000 -1.117) 2.011 4.078 ( -8.458 0.000 13.075) 15.572 4.198 ( -11.632 0.000 -8.335) 14.310 4.510 ( 0.401 0.000 -15.773) 15.778 4.769 ( -12.273 0.000 -9.458) 15.495 4.949 ( -4.180 0.000 10.831) 11.609 5.064 ( 14.054 0.000 3.360) 14.450 5.165 ( 0.161 0.000 2.546) 2.551 5.436 ( 2.122 0.000 -2.649) 3.394 5.622 ( -7.648 0.000 3.561) 8.436 5.629 ( -4.132 0.000 3.859) 5.654 5.953 ( 4.451 0.000 -1.396) 4.665 5.962 ( 8.606 0.000 -2.013) 8.838 6.154 ( 3.944 0.000 1.158) 4.111 6.423 ( 8.280 0.000 -6.761) 10.690 6.913 ( -7.040 0.000 9.392) 11.737 7.160 ( -2.136 0.000 -1.630) 2.686 7.949 ( 1.343 0.000 5.593) 5.752 8.172 ( -4.376 0.000 3.582) 5.656 8.380 ( 0.864 0.000 -8.195) 8.240 8.428 ( 6.451 0.000 3.814) 7.494 8.555 ( -4.547 0.000 -7.219) 8.532 8.589 ( -4.486 0.000 6.246) 7.690 8.714 ( -3.617 0.000 -2.368) 4.323 8.773 ( 1.358 0.000 -1.814) 2.266 9.081 ( 8.086 0.000 5.521) 9.792 9.236 ( 6.291 0.000 -0.781) 6.339 9.660 ( -4.172 0.000 2.888) 5.074 9.771 ( -4.152 0.000 -1.380) 4.376 10.002 ( 16.475 0.000 3.329) 16.808 10.212 ( 5.328 0.000 -3.425) 6.334 10.515 ( -0.930 0.000 0.283) 0.972 10.557 ( 0.748 0.000 0.904) 1.173 10.602 ( -0.361 0.000 -0.775) 0.856 10.751 ( -9.078 0.000 0.556) 9.095 11.325 ( 16.752 0.000 -5.395) 17.599 11.330 ( 0.553 0.000 0.555) 0.783 11.367 ( -0.289 0.000 -0.797) 0.847 11.385 ( 3.770 0.000 -2.807) 4.700 11.617 ( 3.428 0.000 -0.135) 3.431 11.752 ( 7.798 0.000 -6.358) 10.062 12.555 ( -15.510 0.000 9.727) 18.307 12.789 ( 0.136 0.000 0.515) 0.533 12.803 ( -0.191 0.000 0.139) 0.236 12.817 ( -27.508 0.000 7.084) 28.406 12.830 ( 0.025 0.000 -0.354) 0.355 12.833 ( -0.030 0.000 -0.300) 0.302 13.075 ( -2.044 0.000 -1.319) 2.433 13.128 ( -2.818 0.000 -1.392) 3.143 14.084 ( -1.865 0.000 2.229) 2.906 14.128 ( -2.896 0.000 1.866) 3.445 14.427 ( 2.514 0.000 1.984) 3.203 14.554 ( -0.576 0.000 -2.446) 2.513 16.160 ( 6.248 0.000 1.141) 6.352 16.290 ( 8.128 0.000 -5.897) 10.041 16.599 ( 2.717 0.000 -1.681) 3.195 16.697 ( 4.606 0.000 -4.393) 6.365 17.842 ( 0.734 0.000 4.315) 4.377 18.076 ( -2.495 0.000 -3.628) 4.403 18.289 ( -12.442 0.000 9.334) 15.554 18.360 ( -6.030 0.000 2.493) 6.525 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.229 ( 20.284 0.000 12.490) 23.821 1.319 ( 20.602 0.000 17.552) 27.066 1.606 ( -15.289 0.000 6.942) 16.792 1.715 ( -17.590 0.000 13.396) 22.110 1.862 ( 5.587 0.000 -10.775) 12.138 2.006 ( 18.778 0.000 -5.677) 19.617 2.022 ( -8.602 0.000 -7.152) 11.187 2.039 ( 24.907 0.000 9.458) 26.642 2.297 ( -11.650 0.000 -8.652) 14.511 2.512 ( 3.208 0.000 2.531) 4.087 2.567 ( 2.312 0.000 -0.198) 2.321 2.591 ( -4.082 0.000 -0.069) 4.083 2.605 ( -1.581 0.000 -0.490) 1.655 2.629 ( -18.346 0.000 2.831) 18.563 2.852 ( 10.356 0.000 11.638) 15.579 2.888 ( 4.421 0.000 2.213) 4.944 2.951 ( -1.221 0.000 0.574) 1.349 2.966 ( 1.715 0.000 3.322) 3.739 3.099 ( 2.691 0.000 0.369) 2.716 3.165 ( -3.256 0.000 -1.499) 3.585 3.175 ( 1.236 0.000 -3.953) 4.142 3.260 ( -6.788 0.000 -4.443) 8.113 3.576 ( 9.256 0.000 -2.280) 9.533 3.861 ( -15.553 0.000 -9.126) 18.033 3.937 ( 10.602 0.000 -7.481) 12.976 4.116 ( 4.863 0.000 -5.939) 7.676 4.334 ( -12.704 0.000 -11.871) 17.388 4.459 ( -15.674 0.000 -10.592) 18.917 4.996 ( 8.501 0.000 7.460) 11.310 5.176 ( -5.594 0.000 -1.189) 5.719 5.255 ( 6.546 0.000 7.020) 9.598 5.366 ( -5.257 0.000 1.104) 5.371 5.573 ( 1.312 0.000 3.655) 3.884 5.589 ( -0.575 0.000 2.346) 2.415 6.029 ( 2.637 0.000 -0.282) 2.652 6.048 ( 1.011 0.000 0.376) 1.078 6.323 ( 10.369 0.000 1.490) 10.476 6.495 ( -4.255 0.000 -1.929) 4.672 6.856 ( 5.387 0.000 5.322) 7.572 7.040 ( -9.483 0.000 -1.838) 9.660 7.993 ( 3.106 0.000 5.182) 6.041 8.074 ( -4.771 0.000 4.488) 6.550 8.409 ( 2.138 0.000 -7.925) 8.208 8.468 ( -3.731 0.000 -7.289) 8.189 8.483 ( 2.903 0.000 0.534) 2.951 8.581 ( -4.914 0.000 -2.797) 5.654 8.682 ( 5.011 0.000 5.931) 7.764 8.769 ( -2.270 0.000 2.703) 3.529 9.259 ( 8.538 0.000 4.428) 9.618 9.351 ( 2.080 0.000 1.413) 2.514 9.579 ( -1.304 0.000 1.093) 1.701 9.659 ( -6.451 0.000 -1.356) 6.592 10.334 ( 6.566 0.000 0.192) 6.568 10.367 ( 14.021 0.000 -2.789) 14.296 10.472 ( -1.943 0.000 1.074) 2.220 10.575 ( 0.936 0.000 0.382) 1.011 10.592 ( -0.712 0.000 -0.241) 0.752 10.609 ( -6.249 0.000 -2.656) 6.790 11.344 ( 0.759 0.000 0.118) 0.768 11.358 ( -0.597 0.000 -0.396) 0.716 11.447 ( 5.042 0.000 4.194) 6.558 11.592 ( -1.308 0.000 2.968) 3.243 11.724 ( 10.290 0.000 -4.549) 11.250 11.825 ( 3.757 0.000 -4.029) 5.509 12.228 ( -10.808 0.000 6.529) 12.627 12.331 ( -19.658 0.000 4.198) 20.101 12.793 ( 0.248 0.000 0.420) 0.488 12.798 ( -0.282 0.000 0.281) 0.398 12.831 ( 0.051 0.000 -0.363) 0.367 12.832 ( -0.054 0.000 -0.340) 0.344 13.069 ( 1.087 0.000 -3.186) 3.366 13.095 ( -1.234 0.000 -3.266) 3.491 14.060 ( -0.349 0.000 1.365) 1.409 14.076 ( -1.922 0.000 1.224) 2.279 14.484 ( 2.722 0.000 0.953) 2.884 14.530 ( -1.807 0.000 -0.662) 1.925 16.301 ( 6.480 0.000 1.585) 6.672 16.374 ( 0.054 0.000 -0.686) 0.688 16.668 ( 3.660 0.000 -2.593) 4.485 16.726 ( -1.479 0.000 -3.162) 3.491 17.877 ( 3.030 0.000 2.066) 3.667 17.969 ( -6.019 0.000 1.345) 6.167 18.193 ( 0.465 0.000 1.832) 1.890 18.246 ( -4.588 0.000 0.622) 4.630 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.808 ( 0.000 17.867 19.937) 26.771 0.904 ( 0.000 20.161 21.794) 29.689 1.556 ( 0.000 37.449 27.774) 46.625 1.728 ( 0.000 7.797 -11.508) 13.900 1.810 ( 0.000 15.369 -15.329) 21.707 2.169 ( 0.000 6.576 11.015) 12.829 2.263 ( 0.000 16.175 0.452) 16.181 2.425 ( 0.000 8.198 4.228) 9.224 2.495 ( 0.000 10.871 4.270) 11.680 2.527 ( 0.000 4.283 0.802) 4.357 2.662 ( 0.000 13.550 7.413) 15.445 2.670 ( 0.000 7.040 -2.502) 7.472 2.736 ( 0.000 3.293 -6.813) 7.567 2.737 ( 0.000 13.533 1.159) 13.583 2.831 ( 0.000 4.186 -3.341) 5.355 2.932 ( 0.000 15.902 -2.339) 16.073 2.948 ( 0.000 15.413 -0.781) 15.433 3.065 ( 0.000 4.215 -12.131) 12.843 3.111 ( 0.000 14.182 -9.672) 17.166 3.269 ( 0.000 15.868 3.349) 16.218 3.310 ( 0.000 5.486 -17.266) 18.117 3.423 ( 0.000 17.780 -2.161) 17.911 3.772 ( 0.000 3.227 -2.739) 4.233 3.775 ( 0.000 1.369 8.862) 8.967 4.215 ( 0.000 -0.508 20.282) 20.289 4.309 ( 0.000 0.564 -9.183) 9.200 4.449 ( 0.000 -1.185 -9.109) 9.185 4.808 ( 0.000 0.156 3.718) 3.721 4.854 ( 0.000 -1.382 0.547) 1.486 4.985 ( 0.000 -1.327 9.359) 9.453 5.252 ( 0.000 -7.201 9.604) 12.004 5.274 ( 0.000 -2.952 -12.543) 12.886 5.598 ( 0.000 -2.254 4.451) 4.990 5.756 ( 0.000 -1.342 -1.678) 2.149 5.794 ( 0.000 -2.646 4.080) 4.863 5.890 ( 0.000 0.253 -4.909) 4.916 6.137 ( 0.000 -0.264 0.000) 0.264 6.262 ( 0.000 -3.734 -2.823) 4.681 6.894 ( 0.000 -5.929 6.998) 9.172 7.084 ( 0.000 -8.628 -1.064) 8.694 8.198 ( 0.000 12.355 -6.585) 14.000 8.289 ( 0.000 -2.837 5.149) 5.879 8.344 ( 0.000 6.126 -4.477) 7.588 8.504 ( 0.000 14.834 1.008) 14.869 8.639 ( 0.000 -2.498 -6.947) 7.382 8.702 ( 0.000 -0.699 2.291) 2.395 8.718 ( 0.000 -2.825 -0.896) 2.964 8.787 ( 0.000 10.438 -6.262) 12.172 9.191 ( 0.000 18.175 5.159) 18.893 9.343 ( 0.000 16.410 -1.116) 16.448 9.805 ( 0.000 -1.433 8.061) 8.187 9.823 ( 0.000 10.838 2.945) 11.231 9.934 ( 0.000 10.732 -1.286) 10.809 10.172 ( 0.000 2.410 -5.241) 5.768 10.440 ( 0.000 -3.553 0.394) 3.575 10.611 ( 0.000 0.091 -3.050) 3.052 10.646 ( 0.000 5.663 3.048) 6.432 10.931 ( 0.000 0.054 10.473) 10.473 11.035 ( 0.000 -4.523 -8.559) 9.680 11.243 ( 0.000 -3.240 -3.012) 4.424 11.348 ( 0.000 -1.422 -2.148) 2.576 11.365 ( 0.000 0.571 -9.218) 9.235 11.739 ( 0.000 10.821 0.426) 10.829 11.830 ( 0.000 14.870 -8.082) 16.925 12.601 ( 0.000 -14.987 1.860) 15.102 12.613 ( 0.000 -15.331 -0.870) 15.355 12.693 ( 0.000 -0.887 7.623) 7.674 12.775 ( 0.000 -4.607 2.198) 5.105 12.831 ( 0.000 1.996 1.645) 2.586 13.108 ( 0.000 2.349 -7.177) 7.552 13.229 ( 0.000 5.413 2.157) 5.827 13.350 ( 0.000 5.349 -2.059) 5.731 14.125 ( 0.000 -5.067 1.421) 5.262 14.139 ( 0.000 1.582 0.390) 1.630 14.342 ( 0.000 -5.698 1.495) 5.891 14.475 ( 0.000 -8.023 -3.301) 8.676 16.177 ( 0.000 3.251 0.261) 3.261 16.240 ( 0.000 6.993 -5.829) 9.104 16.571 ( 0.000 -3.845 -1.943) 4.308 16.601 ( 0.000 1.890 -4.911) 5.262 17.764 ( 0.000 -7.102 4.889) 8.623 17.989 ( 0.000 -10.180 -3.275) 10.693 18.251 ( 0.000 -20.477 11.179) 23.330 18.296 ( 0.000 -11.723 2.315) 11.949 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.997 ( 17.095 13.578 16.554) 27.398 1.067 ( 14.044 15.438 19.014) 28.233 1.737 ( 14.776 23.583 8.383) 29.065 1.818 ( 8.154 15.869 1.780) 17.929 1.887 ( 7.341 15.385 -12.760) 21.294 2.091 ( -8.197 5.871 8.973) 13.497 2.144 ( -10.662 15.689 1.125) 19.003 2.371 ( -6.394 15.319 -3.090) 16.885 2.501 ( -2.900 4.548 -3.089) 6.216 2.544 ( 7.238 2.194 12.226) 14.377 2.614 ( -1.783 10.252 0.955) 10.449 2.709 ( 0.078 10.123 -2.659) 10.467 2.747 ( -0.462 11.561 0.201) 11.572 2.787 ( 3.642 8.530 1.538) 9.402 2.864 ( -0.795 11.708 -1.002) 11.778 2.897 ( 4.136 8.797 -2.187) 9.964 3.024 ( 4.676 14.467 -1.156) 15.247 3.109 ( 1.560 12.561 -5.653) 13.862 3.139 ( 4.388 6.802 -11.875) 14.372 3.270 ( 0.538 15.351 1.705) 15.455 3.348 ( 2.552 6.356 -12.245) 14.031 3.404 ( -1.851 17.654 -1.969) 17.859 3.605 ( -7.851 3.109 6.309) 10.541 3.869 ( 2.256 3.535 -3.434) 5.420 4.072 ( -8.556 -0.228 13.339) 15.849 4.191 ( -11.318 -0.532 -7.184) 13.416 4.472 ( -0.473 -2.437 -14.276) 14.491 4.742 ( -11.222 -2.091 -10.315) 15.385 4.941 ( -2.958 -0.707 10.491) 10.923 5.010 ( 12.191 -3.099 10.275) 16.241 5.140 ( 0.978 -2.503 1.926) 3.306 5.388 ( 2.367 -4.158 -3.048) 5.673 5.588 ( -2.248 -3.499 4.295) 5.979 5.601 ( -8.810 -2.007 2.574) 9.395 5.903 ( 6.196 -4.319 0.544) 7.572 5.948 ( 4.408 -0.641 -2.750) 5.235 6.150 ( 3.965 -0.186 1.587) 4.275 6.387 ( 8.585 -2.892 -6.080) 10.910 6.808 ( -6.698 -7.161 9.128) 13.397 7.076 ( -2.125 -7.317 -2.559) 8.037 8.195 ( 1.387 12.253 -4.509) 13.130 8.331 ( -0.900 7.634 -3.452) 8.427 8.375 ( 4.067 -2.718 2.401) 5.449 8.473 ( -3.348 11.939 -1.244) 12.462 8.580 ( -1.434 -0.908 0.170) 1.706 8.688 ( -1.637 8.159 -1.948) 8.547 8.718 ( -0.927 1.579 0.076) 1.832 8.805 ( 0.840 5.698 -2.475) 6.269 9.244 ( 5.613 15.935 5.235) 17.687 9.385 ( 4.106 14.190 -0.606) 14.784 9.772 ( -3.936 9.800 3.024) 10.985 9.874 ( -5.418 9.531 -0.488) 10.974 9.987 ( 15.807 -0.665 4.812) 16.537 10.219 ( 4.629 1.275 -3.297) 5.824 10.457 ( 1.225 -2.561 0.306) 2.855 10.604 ( -1.004 -0.231 -2.120) 2.357 10.637 ( -0.779 5.312 1.214) 5.504 10.762 ( -7.361 1.032 1.156) 7.522 11.205 ( 4.699 -6.752 2.085) 8.486 11.283 ( -1.146 -3.352 -0.675) 3.606 11.360 ( 10.933 -0.511 -2.670) 11.266 11.455 ( 6.568 1.647 -7.650) 10.216 11.707 ( -1.126 7.718 1.171) 7.887 11.862 ( -0.434 7.404 -8.620) 11.372 12.507 ( -12.984 -9.270 9.543) 18.590 12.576 ( -5.466 -7.859 1.756) 9.733 12.614 ( -2.798 -12.212 -1.405) 12.607 12.779 ( -1.124 -3.627 1.105) 3.954 12.797 ( -3.485 -0.763 2.640) 4.439 12.945 ( -15.043 3.589 -4.159) 16.015 13.214 ( 0.678 8.977 0.151) 9.004 13.238 ( -2.152 9.041 -0.017) 9.293 14.078 ( -2.269 -2.128 1.538) 3.470 14.121 ( -2.717 -1.362 0.794) 3.141 14.383 ( 3.218 -4.492 1.361) 5.691 14.490 ( 0.684 -6.670 -2.463) 7.143 16.206 ( 4.086 3.173 0.914) 5.253 16.320 ( 4.697 1.522 -4.544) 6.710 16.579 ( 2.408 -2.338 -1.537) 3.692 16.684 ( 4.038 -1.065 -5.082) 6.578 17.767 ( 0.458 -7.369 3.981) 8.388 17.967 ( -3.022 -10.697 -1.411) 11.205 18.146 ( -5.739 -12.140 8.413) 15.846 18.243 ( -4.680 -11.131 1.560) 12.175 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.387 ( 18.649 12.210 13.641) 26.133 1.411 ( 20.007 9.608 12.635) 25.539 1.731 ( -14.198 6.883 8.675) 18.006 1.806 ( -17.695 12.195 8.209) 23.005 2.041 ( 7.549 12.305 -10.726) 17.985 2.079 ( 11.184 10.516 -12.767) 19.966 2.200 ( -1.739 15.994 -3.306) 16.425 2.259 ( 13.032 21.063 6.501) 25.608 2.343 ( -8.692 5.749 -7.830) 13.035 2.591 ( -3.505 8.159 0.473) 8.893 2.676 ( -2.072 10.137 2.903) 10.746 2.707 ( 2.027 10.394 2.591) 10.902 2.764 ( -0.961 13.701 1.773) 13.849 2.783 ( -0.784 15.056 1.933) 15.200 2.881 ( 5.681 4.084 9.728) 11.983 2.995 ( 2.407 6.475 5.314) 8.716 3.088 ( -0.539 16.089 0.935) 16.125 3.113 ( -0.451 15.354 0.657) 15.375 3.193 ( 1.473 4.781 -2.059) 5.410 3.268 ( -2.407 10.846 -1.053) 11.160 3.337 ( -2.126 12.715 -1.963) 13.040 3.358 ( -2.429 16.086 -1.512) 16.338 3.591 ( 8.683 2.372 -1.880) 9.196 3.860 ( -14.303 0.343 -7.325) 16.073 3.945 ( 8.576 1.226 -6.758) 10.987 4.120 ( 4.574 0.888 -7.480) 8.813 4.308 ( -10.705 -2.113 -10.979) 15.479 4.455 ( -15.087 -0.094 -11.899) 19.215 4.990 ( 7.677 -0.501 7.626) 10.833 5.144 ( -3.183 -2.774 2.922) 5.135 5.222 ( 5.820 -2.772 3.866) 7.517 5.320 ( -4.930 -3.949 0.603) 6.345 5.533 ( 0.242 -3.709 4.543) 5.870 5.544 ( -1.284 -4.091 4.687) 6.353 5.991 ( 2.653 -4.102 -0.110) 4.887 6.009 ( 0.993 -3.014 -0.973) 3.319 6.302 ( 9.421 -1.193 2.464) 9.811 6.463 ( -4.239 -2.234 -1.023) 4.899 6.772 ( 6.448 -6.406 3.692) 9.810 6.960 ( -9.075 -6.469 -2.600) 11.443 8.255 ( 3.957 16.257 -3.232) 17.041 8.313 ( -1.204 16.062 -0.072) 16.107 8.378 ( -1.548 -2.714 -1.698) 3.556 8.398 ( -3.265 0.054 -4.705) 5.727 8.606 ( 2.451 6.186 -0.132) 6.655 8.668 ( -3.333 6.941 -1.867) 7.922 8.713 ( 3.801 5.788 4.486) 8.251 8.788 ( -2.552 3.932 2.143) 5.154 9.393 ( 7.880 12.753 3.988) 15.512 9.473 ( 2.215 11.648 1.249) 11.922 9.684 ( -2.595 9.989 1.707) 10.461 9.745 ( -6.483 8.542 -0.020) 10.723 10.324 ( 9.674 -2.105 -0.793) 9.932 10.353 ( 11.128 0.349 -1.676) 11.259 10.453 ( -2.238 -0.557 0.440) 2.348 10.538 ( -3.887 -2.313 -2.594) 5.214 10.656 ( 1.134 5.203 1.400) 5.506 10.674 ( -2.082 4.350 -0.230) 4.828 11.250 ( 1.599 -6.293 0.960) 6.564 11.268 ( -0.143 -5.237 1.049) 5.343 11.503 ( 3.066 2.233 4.529) 5.908 11.636 ( -1.114 2.741 0.380) 2.983 11.744 ( 7.098 1.309 -4.549) 8.532 11.817 ( 3.726 -1.006 -3.078) 4.937 12.213 ( -9.886 -1.625 6.432) 11.906 12.326 ( -17.936 -0.154 2.146) 18.064 12.582 ( 0.290 -14.187 -2.943) 14.492 12.628 ( -4.628 -9.932 -3.908) 11.633 12.803 ( 1.033 -2.040 1.808) 2.915 12.826 ( -1.464 0.043 0.851) 1.694 13.241 ( 1.431 11.033 -1.211) 11.192 13.248 ( 0.904 10.065 -1.257) 10.183 14.048 ( -0.513 -2.073 1.052) 2.381 14.065 ( -2.156 -1.919 0.871) 3.015 14.446 ( 2.671 -4.190 0.477) 4.992 14.485 ( -1.159 -4.961 -0.917) 5.177 16.313 ( 5.336 0.892 1.412) 5.592 16.374 ( -0.032 -0.188 -0.378) 0.423 16.646 ( 3.689 -2.247 -1.946) 4.738 16.707 ( -1.631 -1.972 -2.924) 3.885 17.795 ( 2.544 -8.089 1.844) 8.678 17.872 ( -4.986 -9.325 1.261) 10.649 18.103 ( 0.557 -8.811 1.493) 8.954 18.148 ( -3.840 -9.582 0.505) 10.335 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.221 ( 0.000 22.133 11.648) 25.011 1.334 ( 0.000 22.116 12.912) 25.610 1.881 ( 0.000 10.719 -12.885) 16.760 2.080 ( 0.000 11.535 -12.303) 16.865 2.389 ( 0.000 12.686 0.760) 12.708 2.445 ( 0.000 33.823 17.851) 38.244 2.496 ( 0.000 12.641 9.783) 15.984 2.556 ( 0.000 5.277 -0.224) 5.281 2.679 ( 0.000 4.951 -5.730) 7.572 2.718 ( 0.000 19.798 1.485) 19.854 2.896 ( 0.000 9.872 -0.495) 9.884 2.900 ( 0.000 6.619 -11.966) 13.675 2.966 ( 0.000 24.460 -2.106) 24.551 3.033 ( 0.000 17.735 8.917) 19.850 3.124 ( 0.000 21.714 0.024) 21.714 3.222 ( 0.000 13.428 -2.919) 13.742 3.341 ( 0.000 21.889 0.924) 21.908 3.367 ( 0.000 26.024 -1.981) 26.099 3.474 ( 0.000 18.078 -6.301) 19.145 3.492 ( 0.000 13.013 -0.219) 13.015 3.609 ( 0.000 16.878 7.861) 18.619 3.884 ( 0.000 25.127 -5.231) 25.666 3.896 ( 0.000 12.076 5.441) 13.245 3.926 ( 0.000 15.902 -12.223) 20.057 4.243 ( 0.000 5.409 17.633) 18.444 4.332 ( 0.000 2.021 -9.386) 9.601 4.440 ( 0.000 0.209 -12.919) 12.921 4.811 ( 0.000 0.137 -0.340) 0.367 4.832 ( 0.000 -0.265 2.875) 2.887 4.957 ( 0.000 -1.095 11.024) 11.078 5.119 ( 0.000 -6.721 8.140) 10.556 5.201 ( 0.000 -4.018 -11.959) 12.616 5.541 ( 0.000 -3.181 4.306) 5.353 5.718 ( 0.000 -2.627 -2.588) 3.688 5.728 ( 0.000 -3.780 5.569) 6.730 5.898 ( 0.000 0.346 -4.478) 4.491 6.140 ( 0.000 0.717 -0.041) 0.718 6.186 ( 0.000 -3.088 -0.506) 3.129 6.781 ( 0.000 -4.713 2.256) 5.225 6.890 ( 0.000 -10.153 -1.754) 10.304 8.215 ( 0.000 -4.277 3.820) 5.734 8.336 ( 0.000 2.216 -5.722) 6.136 8.368 ( 0.000 -3.057 -1.660) 3.479 8.561 ( 0.000 -3.779 -5.911) 7.016 8.658 ( 0.000 -2.372 0.292) 2.390 8.667 ( 0.000 1.683 -0.732) 1.836 8.939 ( 0.000 20.243 2.384) 20.383 9.054 ( 0.000 13.971 -2.738) 14.237 9.607 ( 0.000 20.714 3.033) 20.935 9.729 ( 0.000 19.125 -1.946) 19.224 9.823 ( 0.000 4.587 10.962) 11.883 10.074 ( 0.000 13.409 2.118) 13.575 10.134 ( 0.000 5.860 0.187) 5.863 10.236 ( 0.000 4.482 -2.520) 5.142 10.428 ( 0.000 2.888 -0.214) 2.896 10.596 ( 0.000 -1.522 -6.208) 6.392 10.716 ( 0.000 0.516 4.876) 4.903 10.897 ( 0.000 -7.669 -2.292) 8.004 11.025 ( 0.000 10.996 4.320) 11.814 11.196 ( 0.000 -1.970 1.889) 2.729 11.338 ( 0.000 1.768 -2.657) 3.192 11.397 ( 0.000 4.780 -8.794) 10.009 11.950 ( 0.000 9.133 -0.253) 9.136 12.019 ( 0.000 4.787 -7.055) 8.525 12.351 ( 0.000 -8.337 -2.578) 8.727 12.355 ( 0.000 -8.775 0.462) 8.787 12.674 ( 0.000 -1.247 5.606) 5.743 12.684 ( 0.000 -3.610 7.091) 7.957 12.869 ( 0.000 1.362 2.182) 2.573 13.138 ( 0.000 0.140 -10.922) 10.923 13.348 ( 0.000 6.028 2.254) 6.436 13.457 ( 0.000 4.396 0.785) 4.465 13.957 ( 0.000 -11.495 3.808) 12.109 14.138 ( 0.000 -2.681 -2.346) 3.563 14.186 ( 0.000 -9.575 0.002) 9.575 14.258 ( 0.000 -12.966 -3.158) 13.345 16.212 ( 0.000 -0.671 0.349) 0.756 16.284 ( 0.000 -1.095 -3.578) 3.742 16.477 ( 0.000 -4.998 0.645) 5.040 16.617 ( 0.000 -0.837 -6.199) 6.255 17.566 ( 0.000 -12.430 3.668) 12.960 17.708 ( 0.000 -17.018 0.737) 17.034 17.876 ( 0.000 -18.113 6.400) 19.211 17.982 ( 0.000 -18.884 0.946) 18.907 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.331 ( 11.353 19.018 10.817) 24.649 1.429 ( 8.688 19.704 12.884) 25.095 1.936 ( 4.209 9.323 -11.969) 15.744 2.127 ( 2.616 10.466 -6.409) 12.548 2.310 ( -4.724 13.827 -5.896) 15.757 2.454 ( -12.219 11.834 1.930) 17.119 2.533 ( -1.089 10.693 -2.712) 11.085 2.559 ( 5.377 7.143 9.019) 12.699 2.622 ( 11.258 32.375 13.906) 36.990 2.775 ( -3.724 12.677 -6.306) 14.640 2.872 ( 2.219 14.940 -1.987) 15.234 2.931 ( 0.756 15.416 2.129) 15.581 2.956 ( 1.462 14.562 -0.380) 14.640 3.096 ( 1.641 14.729 0.333) 14.824 3.151 ( 4.106 18.617 2.769) 19.265 3.262 ( -2.760 22.724 -1.606) 22.947 3.292 ( 3.483 14.694 -3.538) 15.510 3.400 ( 3.054 18.490 2.198) 18.869 3.470 ( -0.440 16.634 -2.346) 16.804 3.529 ( 1.065 16.027 -1.758) 16.159 3.615 ( 1.217 16.948 7.146) 18.433 3.810 ( -2.602 19.765 -3.088) 20.174 3.868 ( -2.572 26.227 -2.160) 26.442 4.023 ( 5.103 12.123 -12.597) 18.213 4.111 ( -10.033 7.129 15.285) 19.624 4.189 ( -10.362 1.057 -6.532) 12.295 4.452 ( -3.034 0.730 -13.110) 13.476 4.711 ( -9.118 -0.412 -10.001) 13.540 4.920 ( 0.765 -1.250 6.553) 6.715 4.981 ( 7.436 0.247 13.600) 15.501 5.070 ( 1.856 -4.383 1.793) 5.087 5.294 ( 1.987 -4.787 -2.931) 5.955 5.501 ( -3.090 -5.004 3.434) 6.810 5.554 ( -8.910 -2.386 1.525) 9.349 5.808 ( 3.639 -5.172 1.815) 6.580 5.929 ( 1.803 -1.394 -3.044) 3.803 6.158 ( 4.601 1.248 1.969) 5.157 6.332 ( 9.716 -2.368 -4.221) 10.854 6.680 ( -6.866 -5.416 5.320) 10.236 6.909 ( -0.841 -8.690 -3.795) 9.519 8.248 ( 1.844 -3.471 1.727) 4.293 8.333 ( -2.547 -4.246 -1.547) 5.187 8.382 ( 3.865 1.064 -3.449) 5.288 8.498 ( -1.545 -4.060 -2.582) 5.053 8.726 ( 5.410 0.692 -0.533) 5.480 8.749 ( 3.665 6.084 -2.964) 7.696 8.936 ( -0.339 17.772 2.155) 17.905 9.033 ( -2.149 13.486 -1.840) 13.779 9.636 ( 2.394 20.535 3.615) 20.987 9.734 ( 1.662 18.167 -0.465) 18.248 9.915 ( 5.452 3.486 5.976) 8.808 10.045 ( -4.020 6.423 0.476) 7.592 10.106 ( 4.300 12.624 3.923) 13.901 10.313 ( 4.309 8.543 -1.971) 9.769 10.441 ( 1.157 1.195 0.078) 1.665 10.580 ( -2.254 -2.348 -3.465) 4.754 10.722 ( -0.986 2.015 1.041) 2.473 10.772 ( -2.832 -0.666 -0.608) 2.972 11.142 ( 1.465 1.369 3.250) 3.819 11.263 ( -0.033 2.659 -0.599) 2.726 11.326 ( 9.006 -1.112 0.164) 9.076 11.481 ( 7.996 2.630 -6.970) 10.929 11.861 ( -6.907 6.538 0.338) 9.517 11.957 ( -7.387 1.998 -6.330) 9.931 12.301 ( -4.885 -7.730 2.700) 9.534 12.358 ( -0.372 -7.584 -3.271) 8.267 12.566 ( -9.030 0.180 2.793) 9.454 12.708 ( 0.984 -2.261 6.015) 6.501 12.799 ( -6.794 0.746 2.804) 7.388 13.002 ( -12.524 2.302 -6.856) 14.462 13.371 ( 3.219 6.478 0.485) 7.250 13.413 ( -0.957 7.309 0.212) 7.374 13.950 ( -0.639 -10.392 2.469) 10.700 14.052 ( -4.901 -6.234 -0.891) 7.980 14.254 ( 3.256 -8.321 -0.576) 8.954 14.295 ( 2.387 -12.402 -2.252) 12.829 16.239 ( 2.923 -0.470 0.341) 2.980 16.316 ( 2.597 -1.799 -3.010) 4.364 16.506 ( 2.867 -4.528 0.947) 5.442 16.650 ( 1.806 -2.637 -4.500) 5.519 17.562 ( -0.203 -12.846 3.044) 13.203 17.685 ( -2.319 -16.553 1.229) 16.759 17.862 ( -0.763 -16.247 3.680) 16.676 17.946 ( -3.085 -17.944 0.608) 18.217 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.644 ( 14.158 14.090 9.287) 22.028 1.663 ( 17.809 14.090 10.143) 24.870 1.894 ( -9.930 10.212 5.902) 15.418 2.062 ( -17.917 11.631 3.795) 21.696 2.216 ( 7.017 9.080 -10.503) 15.556 2.392 ( -2.980 10.602 -13.128) 17.135 2.432 ( 1.976 11.640 -10.852) 16.036 2.609 ( -9.263 15.376 -11.878) 21.525 2.746 ( 10.758 13.499 9.800) 19.850 2.889 ( 3.052 20.918 5.360) 21.809 2.905 ( 0.587 19.539 5.461) 20.296 2.956 ( 4.695 18.451 5.464) 19.808 2.987 ( 1.523 7.410 6.591) 10.034 3.092 ( -1.295 16.912 -1.075) 16.995 3.191 ( 0.319 21.610 5.394) 22.275 3.242 ( 0.239 19.856 3.961) 20.248 3.366 ( 3.668 12.752 -0.393) 13.275 3.447 ( -1.368 14.156 0.388) 14.228 3.486 ( -1.439 16.046 -1.245) 16.158 3.513 ( 2.015 20.185 -0.442) 20.290 3.672 ( 3.527 18.082 3.874) 18.825 3.754 ( -3.998 19.100 -2.398) 19.660 3.836 ( 0.118 25.574 -1.539) 25.621 3.922 ( -8.547 9.222 -2.318) 12.785 4.008 ( 3.326 6.047 -0.933) 6.964 4.193 ( 1.339 7.975 -11.213) 13.824 4.280 ( -5.085 0.424 -10.153) 11.363 4.480 ( -12.804 3.857 -14.182) 19.492 4.984 ( 6.318 0.194 6.565) 9.113 5.097 ( -0.748 -1.151 6.577) 6.719 5.156 ( 5.166 -3.937 0.471) 6.512 5.236 ( -4.115 -4.114 0.133) 5.820 5.439 ( -2.173 -5.579 4.475) 7.475 5.449 ( -2.248 -4.809 6.901) 8.707 5.886 ( 3.701 -5.934 -0.795) 7.039 5.937 ( -1.135 -4.132 -2.121) 4.781 6.297 ( 7.976 0.742 3.099) 8.589 6.437 ( -3.765 -0.127 0.221) 3.774 6.641 ( 7.069 -6.651 0.561) 9.722 6.820 ( -7.816 -7.266 -4.319) 11.513 8.263 ( 0.420 -4.683 -0.721) 4.757 8.286 ( -1.841 -5.411 -1.484) 5.905 8.466 ( 4.123 1.147 -1.679) 4.597 8.513 ( 0.257 -1.116 -1.727) 2.072 8.794 ( 1.643 9.427 -1.265) 9.652 8.806 ( 1.561 6.266 -1.274) 6.582 8.933 ( 0.460 14.445 1.104) 14.495 8.972 ( -3.281 12.080 -0.112) 12.518 9.713 ( 4.894 17.129 3.587) 18.172 9.770 ( 0.563 16.596 1.429) 16.666 9.932 ( -1.071 13.193 3.009) 13.574 9.968 ( -3.779 12.656 1.809) 13.331 10.299 ( 9.546 1.525 -0.190) 9.669 10.391 ( 1.691 2.974 -0.547) 3.464 10.463 ( 1.341 1.878 0.891) 2.473 10.509 ( -2.273 0.063 -4.330) 4.890 10.734 ( 1.970 2.914 0.598) 3.568 10.765 ( -0.078 3.449 0.938) 3.576 11.163 ( 2.024 -1.945 0.541) 2.859 11.209 ( -2.174 -0.573 0.334) 2.272 11.538 ( 5.465 2.710 3.323) 6.946 11.674 ( 1.858 1.418 -0.521) 2.395 11.736 ( -4.083 -2.659 -2.408) 5.435 11.785 ( 1.096 -1.901 -1.883) 2.892 12.173 ( -3.362 -1.214 4.364) 5.642 12.330 ( -11.096 -0.728 -1.776) 11.260 12.395 ( 0.379 -1.607 -4.771) 5.048 12.521 ( -11.949 -0.554 -5.387) 13.119 12.776 ( 2.802 -0.023 6.110) 6.722 12.841 ( -3.956 1.561 3.468) 5.488 13.430 ( 2.230 8.203 -1.461) 8.625 13.441 ( 1.558 8.495 -1.484) 8.764 13.940 ( 0.036 -9.235 1.225) 9.316 13.969 ( -3.005 -8.104 0.499) 8.657 14.303 ( 1.644 -10.197 -0.798) 10.359 14.320 ( 0.082 -11.501 -1.332) 11.578 16.315 ( 3.729 -1.221 0.453) 3.949 16.354 ( 0.293 -2.038 -0.831) 2.220 16.579 ( 4.007 -4.255 0.276) 5.851 16.648 ( -2.180 -3.859 -1.531) 4.689 17.572 ( 1.499 -13.821 1.227) 13.956 17.623 ( -3.313 -15.070 0.757) 15.448 17.859 ( 0.533 -15.174 0.896) 15.210 17.886 ( -2.281 -16.097 0.331) 16.261 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.648 ( 0.000 20.239 6.392) 21.225 1.753 ( 0.000 19.487 4.806) 20.071 2.121 ( 0.000 13.050 -5.195) 14.046 2.315 ( 0.000 12.473 -9.142) 15.464 2.528 ( 0.000 2.186 8.729) 8.999 2.602 ( 0.000 8.520 -1.484) 8.649 2.609 ( 0.000 1.818 -1.431) 2.314 2.720 ( 0.000 5.353 -5.786) 7.882 2.957 ( 0.000 7.198 -8.517) 11.151 2.959 ( 0.000 1.944 -14.534) 14.663 3.210 ( 0.000 11.038 7.952) 13.604 3.339 ( 0.000 18.463 8.930) 20.509 3.378 ( 0.000 19.923 10.054) 22.316 3.408 ( 0.000 25.856 1.000) 25.875 3.541 ( 0.000 25.348 4.346) 25.718 3.575 ( 0.000 22.256 0.107) 22.256 3.695 ( 0.000 14.314 8.782) 16.793 3.739 ( 0.000 10.662 1.622) 10.785 3.858 ( 0.000 20.694 0.085) 20.694 3.926 ( 0.000 25.069 -2.455) 25.189 3.952 ( 0.000 17.655 6.397) 18.778 4.183 ( 0.000 17.918 6.221) 18.967 4.310 ( 0.000 24.017 -15.544) 28.608 4.353 ( 0.000 7.318 -8.502) 11.218 4.428 ( 0.000 2.075 -8.978) 9.214 4.509 ( 0.000 25.496 -4.902) 25.963 4.554 ( 0.000 20.422 0.437) 20.426 4.833 ( 0.000 3.624 -1.432) 3.896 4.885 ( 0.000 6.811 3.509) 7.662 4.957 ( 0.000 1.308 6.823) 6.947 4.982 ( 0.000 -6.593 6.860) 9.515 5.131 ( 0.000 -2.635 -10.276) 10.609 5.496 ( 0.000 -0.268 3.788) 3.797 5.659 ( 0.000 -2.635 -2.512) 3.641 5.659 ( 0.000 -2.296 7.873) 8.201 5.895 ( 0.000 -0.652 -3.618) 3.676 6.162 ( 0.000 0.795 0.760) 1.100 6.167 ( 0.000 1.926 0.085) 1.928 6.707 ( 0.000 -7.673 -0.258) 7.678 6.720 ( 0.000 -1.342 -0.990) 1.668 8.132 ( 0.000 -3.731 2.078) 4.271 8.262 ( 0.000 -6.420 4.254) 7.701 8.307 ( 0.000 -3.518 -6.164) 7.098 8.491 ( 0.000 -4.003 -2.415) 4.675 8.661 ( 0.000 2.567 -0.287) 2.583 8.714 ( 0.000 3.128 -1.949) 3.686 9.252 ( 0.000 10.272 0.456) 10.282 9.281 ( 0.000 8.098 -0.615) 8.121 9.875 ( 0.000 7.008 5.544) 8.936 9.957 ( 0.000 4.041 0.054) 4.041 9.988 ( 0.000 4.820 7.331) 8.773 10.157 ( 0.000 1.239 1.528) 1.967 10.312 ( 0.000 7.910 -3.330) 8.583 10.419 ( 0.000 13.034 -4.949) 13.942 10.505 ( 0.000 3.425 1.946) 3.939 10.562 ( 0.000 -0.853 -0.816) 1.180 10.724 ( 0.000 -8.025 -4.489) 9.195 10.740 ( 0.000 4.352 -1.921) 4.757 11.264 ( 0.000 9.210 2.784) 9.622 11.334 ( 0.000 18.372 2.464) 18.536 11.462 ( 0.000 10.135 -2.360) 10.406 11.541 ( 0.000 8.665 -0.058) 8.665 12.050 ( 0.000 -1.346 -2.317) 2.679 12.074 ( 0.000 3.138 -0.169) 3.143 12.262 ( 0.000 -0.482 0.627) 0.791 12.313 ( 0.000 3.273 -5.680) 6.555 12.630 ( 0.000 -3.558 3.168) 4.764 12.680 ( 0.000 4.623 10.440) 11.418 12.876 ( 0.000 -0.599 4.090) 4.134 13.082 ( 0.000 -7.136 -12.803) 14.657 13.448 ( 0.000 3.406 0.119) 3.408 13.466 ( 0.000 -4.658 2.092) 5.106 13.722 ( 0.000 -10.550 7.847) 13.149 13.985 ( 0.000 -9.523 -3.258) 10.065 13.995 ( 0.000 -10.911 -4.799) 11.920 14.022 ( 0.000 -10.163 -2.812) 10.545 16.145 ( 0.000 -5.418 -0.356) 5.429 16.240 ( 0.000 -2.790 -4.426) 5.232 16.389 ( 0.000 -3.758 4.082) 5.548 16.575 ( 0.000 -2.892 -3.310) 4.395 17.292 ( 0.000 -14.607 2.405) 14.804 17.353 ( 0.000 -18.066 2.036) 18.180 17.503 ( 0.000 -19.415 2.048) 19.523 17.582 ( 0.000 -20.569 -0.212) 20.570 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.715 ( 6.888 18.844 6.362) 21.048 1.812 ( 5.527 18.111 5.536) 19.728 2.145 ( 1.891 11.483 -5.799) 13.002 2.350 ( 2.293 11.772 -6.331) 13.562 2.524 ( -6.508 8.744 -6.784) 12.839 2.590 ( 1.060 2.253 1.792) 3.068 2.605 ( -0.241 3.143 3.870) 4.992 2.666 ( -0.323 8.070 -1.722) 8.258 2.928 ( -0.866 4.355 -8.171) 9.300 3.016 ( 1.585 5.371 -6.723) 8.750 3.225 ( 3.305 6.383 3.388) 7.946 3.343 ( -1.494 13.535 2.553) 13.855 3.363 ( -1.561 16.889 9.478) 19.430 3.437 ( 2.384 26.991 2.970) 27.258 3.511 ( -0.171 25.130 3.984) 25.445 3.616 ( 3.114 19.432 1.102) 19.711 3.713 ( -1.873 19.254 3.054) 19.584 3.716 ( 1.452 15.638 3.562) 16.104 3.800 ( -1.420 13.038 5.591) 14.257 3.900 ( -2.277 23.476 -2.168) 23.686 4.064 ( 6.249 23.794 2.730) 24.752 4.180 ( -0.499 17.843 2.857) 18.078 4.209 ( -10.165 5.366 -0.507) 11.505 4.336 ( -3.993 15.752 -10.874) 19.552 4.374 ( 3.521 18.756 -13.288) 23.255 4.492 ( -4.432 25.444 1.388) 25.864 4.556 ( -2.481 15.012 -6.161) 16.416 4.777 ( -4.257 8.526 -5.726) 11.118 4.924 ( 2.788 2.996 3.591) 5.444 4.973 ( 2.589 -4.037 2.631) 5.470 5.022 ( 6.436 3.705 7.334) 10.437 5.215 ( 2.923 -2.778 -3.473) 5.322 5.412 ( -6.071 -2.724 2.827) 7.230 5.528 ( -7.964 0.651 -0.041) 7.991 5.706 ( 1.831 -4.511 4.406) 6.566 5.893 ( -0.830 -2.072 -2.786) 3.570 6.203 ( 5.127 3.146 1.577) 6.219 6.295 ( 9.407 -1.465 -1.631) 9.659 6.600 ( -6.269 -2.593 2.510) 7.234 6.758 ( -0.499 -5.815 -3.376) 6.743 8.167 ( 2.071 -4.141 2.022) 5.052 8.227 ( -2.597 -5.496 3.127) 6.836 8.341 ( 2.668 -3.886 -4.135) 6.270 8.440 ( -0.988 -2.447 -2.376) 3.551 8.739 ( 6.145 0.962 0.672) 6.256 8.832 ( 7.976 3.523 -3.076) 9.246 9.221 ( -3.178 9.092 -0.343) 9.638 9.243 ( -3.567 7.258 -0.536) 8.105 9.923 ( -0.857 2.566 4.114) 4.924 9.959 ( 6.562 7.978 2.018) 10.525 10.017 ( 3.305 5.989 3.348) 7.616 10.182 ( 3.351 6.575 3.182) 8.036 10.368 ( 1.340 12.182 -0.654) 12.273 10.474 ( 4.324 6.090 0.653) 7.497 10.494 ( -0.569 -3.047 -5.316) 6.154 10.533 ( -1.453 4.257 3.520) 5.712 10.727 ( 1.876 -0.384 -4.612) 4.993 10.768 ( 2.271 3.913 -4.127) 6.124 11.226 ( -3.617 6.820 2.077) 7.994 11.349 ( -7.327 5.041 -1.167) 8.969 11.469 ( 10.547 14.679 2.292) 18.220 11.589 ( 3.754 7.820 -0.242) 8.678 11.933 ( -10.339 -0.123 -1.057) 10.394 11.964 ( -10.581 -0.089 -1.009) 10.630 12.221 ( -3.390 -0.538 1.670) 3.817 12.325 ( 1.339 3.462 -6.497) 7.482 12.572 ( -4.413 0.201 2.179) 4.925 12.732 ( 2.237 5.363 9.085) 10.784 12.821 ( -4.773 1.259 1.841) 5.268 13.028 ( -8.016 -0.255 -7.533) 11.003 13.420 ( 2.673 -3.360 3.044) 5.263 13.484 ( 1.967 -1.914 -0.412) 2.776 13.726 ( -0.554 -9.423 3.894) 10.211 13.895 ( -5.993 -7.981 -2.981) 10.416 14.023 ( 1.637 -13.330 -2.952) 13.751 14.058 ( 1.169 -11.735 -2.721) 12.103 16.180 ( 3.198 -5.110 -0.610) 6.059 16.264 ( 1.957 -3.219 -4.164) 5.615 16.419 ( 2.850 -3.962 4.065) 6.352 16.585 ( 0.372 -3.550 -1.871) 4.030 17.278 ( -1.011 -15.137 2.134) 15.320 17.340 ( -1.402 -17.660 1.560) 17.784 17.511 ( 0.718 -18.592 1.085) 18.637 17.563 ( -1.527 -19.802 -0.199) 19.861 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.924 ( 12.415 13.864 5.192) 19.321 1.956 ( 8.562 14.608 6.157) 18.017 2.120 ( -4.982 11.845 1.212) 12.907 2.270 ( -16.051 9.218 2.147) 18.633 2.414 ( 5.759 11.255 -7.572) 14.737 2.552 ( -6.303 7.997 -9.423) 13.873 2.647 ( 7.959 8.421 -9.814) 15.185 2.796 ( 2.325 4.820 -4.316) 6.875 2.864 ( 0.601 5.309 4.344) 6.886 3.012 ( -4.756 1.246 6.101) 7.835 3.260 ( 0.827 9.124 2.720) 9.556 3.302 ( -2.985 11.587 3.914) 12.589 3.407 ( 6.584 16.258 0.246) 17.543 3.453 ( 1.483 16.839 1.362) 16.959 3.547 ( 0.738 18.837 0.118) 18.852 3.653 ( -4.214 8.321 -1.125) 9.395 3.696 ( 2.499 24.030 6.450) 25.006 3.751 ( 1.812 21.666 4.495) 22.202 3.808 ( 1.082 17.203 -2.645) 17.439 3.849 ( -2.490 16.931 -2.930) 17.362 4.047 ( -0.011 12.164 2.066) 12.338 4.153 ( 1.459 26.312 5.981) 27.022 4.179 ( -5.628 9.596 -2.617) 11.428 4.235 ( 0.335 16.539 1.296) 16.593 4.393 ( -3.972 27.768 -0.548) 28.056 4.426 ( -4.804 20.625 -5.187) 21.803 4.518 ( 6.411 20.637 -10.509) 24.030 4.665 ( -6.856 14.819 -9.152) 18.718 5.021 ( 6.128 4.610 1.803) 7.878 5.071 ( 6.140 -3.859 0.631) 7.280 5.128 ( 0.079 4.521 2.459) 5.147 5.169 ( -4.422 -1.846 0.511) 4.819 5.332 ( -1.235 -3.942 4.723) 6.275 5.388 ( -5.275 -0.048 3.308) 6.226 5.768 ( 4.218 -5.491 0.453) 6.939 5.850 ( -3.372 -4.348 -1.867) 5.810 6.330 ( 6.810 2.384 2.802) 7.740 6.459 ( -3.916 2.111 1.932) 4.850 6.513 ( 7.599 -5.943 -1.545) 9.770 6.684 ( -6.710 -5.911 -4.135) 9.852 8.176 ( -0.387 -4.064 1.461) 4.336 8.184 ( -1.345 -4.327 1.611) 4.810 8.416 ( 4.342 -4.266 -0.903) 6.154 8.462 ( 0.543 -3.288 -1.739) 3.759 8.857 ( 5.369 0.867 0.051) 5.439 8.934 ( 0.006 4.555 -3.305) 5.628 9.146 ( -1.613 5.349 -0.255) 5.593 9.175 ( -2.916 8.375 -1.492) 8.993 9.962 ( 4.230 6.172 4.784) 8.881 10.035 ( -1.252 8.291 2.177) 8.663 10.130 ( 7.701 6.871 1.238) 10.395 10.230 ( -0.315 11.927 1.861) 12.075 10.400 ( -1.656 4.487 0.101) 4.784 10.407 ( -3.873 0.064 1.555) 4.174 10.528 ( 7.082 4.549 2.544) 8.793 10.605 ( 1.171 9.104 -2.975) 9.649 10.802 ( 3.923 4.686 -3.194) 6.896 10.819 ( 2.457 4.047 -3.348) 5.799 11.161 ( -1.232 0.901 -0.234) 1.544 11.212 ( -5.464 0.115 -0.860) 5.532 11.633 ( -1.812 -0.577 1.423) 2.375 11.668 ( 1.865 4.074 1.710) 4.796 11.727 ( -5.570 0.098 -0.032) 5.571 11.767 ( -1.661 4.446 -0.023) 4.746 12.199 ( 4.266 3.860 2.347) 6.213 12.352 ( -2.116 4.334 -4.500) 6.596 12.461 ( -3.469 5.493 -3.598) 7.426 12.580 ( -12.530 5.559 -5.266) 14.684 12.822 ( 3.230 4.989 8.311) 10.218 12.891 ( -4.052 3.594 5.667) 7.839 13.530 ( 5.658 -1.657 -0.515) 5.918 13.560 ( 3.965 2.558 -2.195) 5.204 13.696 ( -1.218 -13.812 1.907) 13.996 13.764 ( -6.500 -10.224 -0.731) 12.138 14.047 ( 0.836 -14.278 -2.424) 14.506 14.061 ( -0.534 -13.672 -2.368) 13.885 16.253 ( 3.402 -4.862 -1.177) 6.050 16.291 ( 0.001 -4.308 -2.620) 5.043 16.493 ( 4.164 -4.044 3.031) 6.548 16.566 ( -2.520 -4.039 0.906) 4.846 17.269 ( 0.502 -16.020 0.805) 16.048 17.300 ( -2.210 -16.876 0.506) 17.028 17.525 ( 0.565 -17.785 0.213) 17.796 17.537 ( -0.838 -18.319 -0.005) 18.338 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.009 ( 0.000 16.000 2.525) 16.198 2.097 ( 0.000 15.164 -1.624) 15.250 2.379 ( 0.000 12.127 1.222) 12.188 2.548 ( 0.000 8.376 -5.965) 10.283 2.572 ( 0.000 2.547 7.235) 7.670 2.664 ( 0.000 6.082 -1.284) 6.216 2.732 ( 0.000 4.692 -1.100) 4.819 2.851 ( 0.000 7.409 -6.668) 9.968 3.010 ( 0.000 3.792 -10.521) 11.183 3.113 ( 0.000 8.770 -10.089) 13.368 3.294 ( 0.000 0.814 9.478) 9.513 3.395 ( 0.000 -0.796 7.593) 7.635 3.722 ( 0.000 11.439 12.532) 16.967 3.752 ( 0.000 5.307 -0.593) 5.340 3.825 ( 0.000 2.215 11.219) 11.435 3.903 ( 0.000 8.022 -6.634) 10.410 3.945 ( 0.000 10.482 5.231) 11.715 4.140 ( 0.000 20.021 0.025) 20.021 4.201 ( 0.000 13.438 3.006) 13.770 4.278 ( 0.000 13.044 -3.701) 13.559 4.402 ( 0.000 14.065 -1.443) 14.139 4.435 ( 0.000 2.737 -4.250) 5.055 4.474 ( 0.000 13.977 -5.840) 15.148 4.605 ( 0.000 20.899 6.931) 22.018 4.772 ( 0.000 20.313 -9.212) 22.304 4.886 ( 0.000 5.008 6.875) 8.506 4.924 ( 0.000 14.197 -4.500) 14.893 4.983 ( 0.000 0.771 0.544) 0.943 5.010 ( 0.000 18.198 -2.521) 18.372 5.057 ( 0.000 6.897 -7.172) 9.950 5.115 ( 0.000 14.638 1.973) 14.770 5.179 ( 0.000 19.137 -1.080) 19.167 5.565 ( 0.000 7.478 4.622) 8.791 5.664 ( 0.000 4.770 -1.189) 4.916 5.713 ( 0.000 9.981 4.747) 11.052 5.890 ( 0.000 1.282 -2.573) 2.875 6.210 ( 0.000 3.800 0.141) 3.802 6.211 ( 0.000 2.439 -0.213) 2.448 6.603 ( 0.000 -2.672 2.574) 3.710 6.722 ( 0.000 1.228 -1.980) 2.330 8.075 ( 0.000 -1.730 1.904) 2.573 8.150 ( 0.000 -4.369 6.197) 7.582 8.250 ( 0.000 -1.606 -5.586) 5.812 8.402 ( 0.000 -4.549 -1.424) 4.767 8.730 ( 0.000 4.017 0.035) 4.017 8.788 ( 0.000 4.274 -1.656) 4.584 9.369 ( 0.000 2.461 0.394) 2.492 9.372 ( 0.000 1.389 0.267) 1.415 9.878 ( 0.000 -4.989 4.324) 6.602 10.007 ( 0.000 3.008 -2.128) 3.685 10.013 ( 0.000 2.443 8.026) 8.390 10.204 ( 0.000 -0.570 0.130) 0.585 10.351 ( 0.000 -5.590 -4.583) 7.228 10.459 ( 0.000 -8.577 -0.507) 8.592 10.559 ( 0.000 8.728 -4.685) 9.905 10.560 ( 0.000 2.680 -0.311) 2.698 10.842 ( 0.000 11.804 -6.939) 13.692 10.921 ( 0.000 12.485 -3.462) 12.956 11.469 ( 0.000 8.647 2.634) 9.039 11.633 ( 0.000 9.150 -3.285) 9.722 11.704 ( 0.000 6.729 11.473) 13.300 11.725 ( 0.000 15.683 3.168) 16.000 11.996 ( 0.000 -3.087 2.870) 4.215 12.102 ( 0.000 0.878 2.339) 2.498 12.315 ( 0.000 4.783 -0.905) 4.868 12.384 ( 0.000 1.678 -4.793) 5.078 12.528 ( 0.000 -6.047 -1.002) 6.130 12.819 ( 0.000 -16.983 -10.389) 19.909 12.854 ( 0.000 -1.242 6.774) 6.887 12.879 ( 0.000 12.288 4.597) 13.120 13.310 ( 0.000 -9.989 5.298) 11.307 13.460 ( 0.000 -2.097 -2.029) 2.918 13.544 ( 0.000 -6.338 5.728) 8.543 13.754 ( 0.000 -15.375 -3.215) 15.708 13.840 ( 0.000 -5.840 -5.712) 8.169 13.869 ( 0.000 -2.304 -5.544) 6.004 16.029 ( 0.000 -5.547 -0.258) 5.553 16.186 ( 0.000 -2.445 -7.193) 7.597 16.328 ( 0.000 -2.341 6.196) 6.624 16.521 ( 0.000 -2.248 0.074) 2.249 17.008 ( 0.000 -13.504 2.010) 13.653 17.009 ( 0.000 -16.276 3.395) 16.626 17.122 ( 0.000 -18.137 -0.368) 18.140 17.196 ( 0.000 -17.437 -1.772) 17.527 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.059 ( 4.635 15.413 2.612) 16.306 2.133 ( 3.480 14.131 -0.977) 14.585 2.374 ( -0.379 10.874 -0.458) 10.890 2.550 ( -0.940 6.560 -2.935) 7.247 2.621 ( 2.248 1.709 2.230) 3.598 2.689 ( 1.860 7.220 -0.176) 7.458 2.696 ( -1.754 7.438 -2.224) 7.959 2.835 ( 0.973 8.669 -2.431) 9.056 3.009 ( -0.346 4.621 -8.077) 9.312 3.129 ( -0.775 6.384 -8.309) 10.507 3.275 ( 0.163 0.566 6.184) 6.212 3.401 ( 0.001 0.093 6.150) 6.151 3.631 ( -3.881 5.276 9.934) 11.899 3.711 ( -5.570 6.964 -2.915) 9.382 3.831 ( 2.162 5.029 7.408) 9.211 3.878 ( -4.117 5.076 -2.848) 7.130 4.005 ( 0.839 10.973 2.058) 11.196 4.094 ( 0.194 15.326 6.602) 16.689 4.181 ( -1.078 18.378 1.200) 18.448 4.314 ( -2.089 13.159 -0.497) 13.333 4.353 ( -5.417 5.835 -4.678) 9.235 4.429 ( 5.545 11.652 -3.758) 13.440 4.473 ( -0.227 18.731 -3.019) 18.974 4.663 ( 2.980 24.463 5.756) 25.307 4.741 ( -1.739 10.488 -3.080) 11.068 4.886 ( -2.140 13.162 -2.362) 13.542 4.906 ( 3.783 12.509 -1.103) 13.115 4.980 ( -1.074 3.564 -0.425) 3.747 5.032 ( -0.838 19.055 -1.167) 19.109 5.092 ( 2.601 13.261 -1.019) 13.552 5.152 ( 5.277 4.090 -3.586) 7.578 5.264 ( 5.401 15.633 -0.974) 16.569 5.470 ( -6.717 9.897 2.063) 12.137 5.629 ( -4.751 9.703 -3.062) 11.229 5.694 ( -0.309 6.687 6.842) 9.572 5.872 ( -2.229 1.355 -1.426) 2.972 6.272 ( 5.307 1.011 -0.034) 5.402 6.277 ( 5.979 2.649 -0.126) 6.541 6.569 ( -2.970 -0.685 2.938) 4.233 6.699 ( -2.620 -0.305 -2.078) 3.358 8.096 ( 1.289 -2.561 2.469) 3.783 8.137 ( -0.924 -3.374 4.369) 5.597 8.279 ( 2.352 -1.842 -3.649) 4.716 8.383 ( -0.159 -2.987 -2.191) 3.708 8.773 ( 3.726 2.550 1.763) 4.847 8.900 ( 8.792 3.403 -2.925) 9.871 9.301 ( -6.504 1.190 0.532) 6.633 9.356 ( -1.510 3.743 -1.581) 4.335 9.892 ( 2.596 -2.972 5.024) 6.389 10.055 ( 5.037 1.905 -1.848) 5.693 10.089 ( 4.909 2.272 6.738) 8.641 10.231 ( 4.507 -1.497 1.220) 4.903 10.362 ( -0.556 -6.927 -3.677) 7.863 10.508 ( 2.242 -5.033 0.390) 5.524 10.550 ( 0.383 5.457 -0.368) 5.482 10.630 ( 8.076 8.709 -3.112) 12.278 10.854 ( 1.090 8.994 -7.653) 11.860 10.940 ( 1.601 11.818 -4.291) 12.675 11.357 ( -10.050 4.046 1.915) 11.002 11.454 ( -12.438 4.698 0.708) 13.314 11.723 ( -3.449 4.213 8.737) 10.295 11.780 ( 4.862 13.494 2.272) 14.522 11.923 ( -5.096 1.968 -0.778) 5.517 11.962 ( -12.089 0.099 1.612) 12.196 12.259 ( -1.974 3.452 1.525) 4.259 12.437 ( 3.664 6.640 -6.038) 9.694 12.555 ( 1.547 -2.727 0.707) 3.213 12.811 ( -1.143 -4.996 -6.517) 8.291 12.910 ( 2.836 6.912 6.571) 9.950 12.973 ( 6.417 0.197 1.188) 6.529 13.294 ( -6.511 -9.424 5.678) 12.785 13.316 ( -0.743 -7.271 2.127) 7.612 13.584 ( -0.493 -7.841 1.152) 7.941 13.704 ( -4.680 -14.072 -2.799) 15.092 13.837 ( -0.167 -5.862 -5.573) 8.090 13.866 ( -0.428 -3.721 -5.295) 6.486 16.068 ( 3.500 -5.351 -0.867) 6.453 16.195 ( 0.612 -3.447 -6.029) 6.972 16.355 ( 2.584 -2.513 5.355) 6.455 16.520 ( -0.374 -2.884 0.803) 3.017 16.983 ( -1.608 -14.157 2.560) 14.476 17.004 ( -0.905 -15.561 2.368) 15.766 17.148 ( 1.984 -17.215 -0.714) 17.343 17.190 ( -0.359 -16.895 -1.573) 16.972 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.186 ( 7.377 12.300 2.562) 14.570 2.221 ( 4.498 11.909 0.690) 12.749 2.342 ( -2.557 10.168 -1.438) 10.583 2.427 ( -9.665 6.669 -0.371) 11.748 2.644 ( 3.131 9.645 -1.801) 10.299 2.705 ( -0.838 7.222 -2.289) 7.622 2.785 ( 7.123 5.793 -5.375) 10.639 2.904 ( 3.406 7.445 -2.654) 8.606 2.966 ( -3.793 4.929 0.431) 6.234 3.049 ( -5.324 3.683 2.181) 6.831 3.327 ( 4.230 0.436 1.829) 4.629 3.400 ( -1.250 1.078 -0.026) 1.651 3.577 ( 0.831 4.375 2.023) 4.891 3.699 ( 3.245 3.867 0.702) 5.097 3.723 ( -8.578 3.198 -0.393) 9.164 3.814 ( -4.659 4.910 3.276) 7.519 4.013 ( 3.936 9.408 2.720) 10.555 4.131 ( -5.718 8.705 -3.468) 10.977 4.169 ( 4.388 17.418 3.690) 18.337 4.250 ( -3.480 17.425 1.898) 17.870 4.292 ( 1.873 15.718 2.100) 15.968 4.386 ( -5.396 18.971 -0.168) 19.724 4.601 ( 6.953 11.572 -3.948) 14.066 4.681 ( -0.381 19.235 -0.261) 19.241 4.783 ( 4.072 15.796 -1.911) 16.424 4.863 ( -0.614 11.922 1.792) 12.072 4.898 ( -2.135 15.711 0.399) 15.861 4.955 ( -5.183 16.599 1.339) 17.441 5.061 ( 6.232 6.416 -0.375) 8.952 5.140 ( 0.008 5.260 2.544) 5.843 5.234 ( 3.073 9.621 -7.568) 12.621 5.308 ( -3.189 11.572 -5.192) 13.079 5.413 ( 3.445 15.851 1.554) 16.296 5.513 ( -5.676 13.718 -2.036) 14.985 5.720 ( 3.041 3.724 4.283) 6.439 5.802 ( -4.346 1.619 0.630) 4.680 6.376 ( 4.884 1.638 0.721) 5.202 6.417 ( 4.778 -2.738 -1.245) 5.646 6.510 ( -0.735 2.488 2.759) 3.787 6.609 ( -6.125 -1.120 -1.384) 6.379 8.107 ( 0.234 -2.553 2.635) 3.676 8.119 ( -0.906 -2.384 2.501) 3.572 8.344 ( 3.805 -2.559 -1.137) 4.724 8.394 ( -0.414 -3.056 -2.110) 3.737 8.874 ( 6.603 1.753 1.672) 7.034 9.006 ( -2.872 3.239 -3.119) 5.335 9.205 ( 1.614 1.788 0.193) 2.417 9.297 ( -4.453 4.392 -3.170) 7.012 9.990 ( 6.312 -1.626 5.396) 8.462 10.101 ( -3.463 -1.015 4.634) 5.873 10.207 ( 8.852 1.397 -2.641) 9.342 10.340 ( -1.333 -3.325 -3.754) 5.189 10.368 ( 4.645 1.734 4.147) 6.464 10.481 ( -4.064 0.795 1.571) 4.429 10.644 ( 9.883 6.240 1.941) 11.849 10.788 ( 1.054 8.798 1.571) 8.999 10.903 ( 4.907 4.047 -9.193) 11.179 10.960 ( 0.106 7.764 -5.230) 9.362 11.172 ( -5.296 0.195 -1.477) 5.501 11.215 ( -9.415 0.700 -1.375) 9.541 11.564 ( -5.567 -2.491 7.129) 9.382 11.665 ( -13.343 -1.723 1.506) 13.538 11.879 ( 3.140 9.636 0.660) 10.157 11.907 ( 0.366 7.341 -0.220) 7.353 12.311 ( 7.639 6.492 2.692) 10.380 12.474 ( -3.476 6.630 -3.064) 8.089 12.572 ( 2.284 4.939 -1.231) 5.579 12.691 ( -8.883 3.887 -4.350) 10.627 12.962 ( 2.527 7.460 5.846) 9.809 13.007 ( -1.723 9.491 4.496) 10.642 13.304 ( 6.494 -16.249 3.927) 17.933 13.366 ( 2.719 -15.122 1.986) 15.492 13.530 ( -2.841 -9.765 -0.890) 10.209 13.585 ( -6.387 -12.393 -2.291) 14.129 13.838 ( 0.382 -5.551 -5.218) 7.628 13.852 ( -0.840 -4.933 -5.081) 7.132 16.145 ( 3.554 -5.290 -2.191) 6.739 16.194 ( -1.094 -4.921 -3.917) 6.384 16.424 ( 3.935 -2.987 4.007) 6.361 16.493 ( -2.483 -3.393 2.509) 4.896 16.961 ( -0.235 -14.415 1.626) 14.508 16.977 ( -1.521 -15.049 1.502) 15.200 17.181 ( 1.014 -16.157 -0.879) 16.213 17.189 ( 0.067 -15.966 -1.010) 15.998 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.288 ( 0.000 12.316 0.366) 12.322 2.361 ( 0.000 11.400 -4.087) 12.111 2.558 ( 0.000 5.447 2.607) 6.039 2.615 ( 0.000 1.132 -0.939) 1.471 2.653 ( 0.000 5.680 4.930) 7.521 2.782 ( 0.000 2.069 -4.030) 4.530 2.881 ( 0.000 10.827 -1.851) 10.984 2.980 ( 0.000 4.757 -7.874) 9.199 3.134 ( 0.000 8.591 -3.745) 9.372 3.242 ( 0.000 1.555 7.548) 7.706 3.348 ( 0.000 7.583 -7.034) 10.343 3.371 ( 0.000 -0.727 6.487) 6.528 3.742 ( 0.000 -2.855 10.068) 10.465 3.841 ( 0.000 2.111 12.043) 12.227 3.857 ( 0.000 -0.107 -0.042) 0.115 3.946 ( 0.000 -2.268 -8.800) 9.088 4.048 ( 0.000 0.801 1.259) 1.492 4.256 ( 0.000 -3.812 -3.628) 5.263 4.311 ( 0.000 -2.086 3.672) 4.223 4.320 ( 0.000 -2.721 -3.331) 4.301 4.531 ( 0.000 5.728 -3.821) 6.885 4.596 ( 0.000 1.140 -1.491) 1.877 4.740 ( 0.000 15.638 5.769) 16.668 4.953 ( 0.000 -4.764 -1.621) 5.032 4.972 ( 0.000 6.467 -5.048) 8.204 4.986 ( 0.000 2.271 -0.662) 2.366 5.151 ( 0.000 15.973 -2.383) 16.149 5.184 ( 0.000 23.010 -2.876) 23.189 5.330 ( 0.000 13.214 7.887) 15.389 5.332 ( 0.000 17.954 1.731) 18.037 5.454 ( 0.000 20.476 1.443) 20.527 5.636 ( 0.000 21.326 -5.062) 21.918 5.804 ( 0.000 15.003 2.723) 15.248 5.862 ( 0.000 13.220 -0.219) 13.222 5.986 ( 0.000 8.352 -3.446) 9.035 6.017 ( 0.000 17.908 -1.191) 17.948 6.268 ( 0.000 3.523 0.152) 3.526 6.320 ( 0.000 7.567 -0.269) 7.571 6.585 ( 0.000 0.170 4.833) 4.836 6.747 ( 0.000 0.665 -1.426) 1.573 8.076 ( 0.000 2.049 3.788) 4.307 8.097 ( 0.000 -0.808 3.784) 3.869 8.243 ( 0.000 0.171 -4.257) 4.260 8.334 ( 0.000 -1.576 -2.783) 3.198 8.816 ( 0.000 4.651 1.738) 4.965 8.884 ( 0.000 5.272 -0.576) 5.304 9.355 ( 0.000 -2.538 0.614) 2.612 9.376 ( 0.000 -1.490 -0.062) 1.491 9.832 ( 0.000 1.177 4.633) 4.780 10.046 ( 0.000 0.941 4.948) 5.037 10.092 ( 0.000 3.785 -5.470) 6.652 10.137 ( 0.000 -4.652 0.452) 4.674 10.228 ( 0.000 -4.025 -4.045) 5.707 10.302 ( 0.000 -6.299 -0.336) 6.308 10.621 ( 0.000 3.570 0.087) 3.571 10.755 ( 0.000 9.404 -7.416) 11.976 10.988 ( 0.000 2.835 -2.707) 3.920 11.179 ( 0.000 12.664 -5.117) 13.658 11.524 ( 0.000 -3.745 6.135) 7.187 11.727 ( 0.000 0.053 -3.834) 3.834 11.805 ( 0.000 4.002 13.609) 14.186 11.935 ( 0.000 -3.160 7.260) 7.918 11.941 ( 0.000 3.912 4.647) 6.075 12.151 ( 0.000 0.841 2.683) 2.812 12.247 ( 0.000 -12.777 -4.743) 13.629 12.333 ( 0.000 -5.315 -6.475) 8.377 12.514 ( 0.000 6.479 -1.704) 6.699 12.586 ( 0.000 -2.841 -6.138) 6.764 12.849 ( 0.000 1.166 6.449) 6.553 12.894 ( 0.000 -13.373 7.880) 15.522 13.294 ( 0.000 10.725 -1.031) 10.774 13.339 ( 0.000 -13.732 -4.918) 14.586 13.493 ( 0.000 0.098 -0.211) 0.232 13.505 ( 0.000 -4.082 1.241) 4.266 13.717 ( 0.000 -6.568 -2.973) 7.210 13.860 ( 0.000 -0.163 -6.273) 6.275 15.947 ( 0.000 -2.301 0.135) 2.305 16.147 ( 0.000 -1.460 -9.051) 9.168 16.291 ( 0.000 -1.494 6.511) 6.681 16.489 ( 0.000 -1.323 1.740) 2.186 16.706 ( 0.000 -14.111 3.561) 14.553 16.760 ( 0.000 -11.452 1.131) 11.507 16.822 ( 0.000 -11.153 0.096) 11.154 16.920 ( 0.000 -9.953 -2.298) 10.215 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.326 ( 3.407 11.741 0.043) 12.226 2.379 ( 1.837 10.657 -3.829) 11.472 2.552 ( -0.562 6.725 1.219) 6.858 2.619 ( -1.606 1.540 -1.112) 2.487 2.667 ( 1.695 3.246 4.222) 5.589 2.790 ( 1.949 2.962 -1.975) 4.059 2.870 ( -0.975 8.108 -1.763) 8.354 3.000 ( 2.112 6.168 -7.003) 9.568 3.124 ( -1.008 7.521 -0.843) 7.635 3.250 ( 1.762 2.583 3.439) 4.648 3.304 ( -3.980 5.727 -3.178) 7.664 3.416 ( 2.195 2.643 3.036) 4.585 3.659 ( -4.009 -0.387 8.845) 9.719 3.770 ( -4.902 -0.302 0.467) 4.933 3.866 ( -0.736 -0.341 4.131) 4.210 3.904 ( -5.697 -1.282 -2.311) 6.280 4.080 ( 0.928 -1.688 2.196) 2.921 4.216 ( -2.534 -1.985 5.888) 6.711 4.325 ( 2.436 1.738 -3.964) 4.967 4.386 ( 6.027 -3.495 -5.022) 8.589 4.537 ( 1.476 5.955 -3.043) 6.849 4.602 ( -1.332 3.842 0.262) 4.075 4.754 ( 1.558 10.762 2.513) 11.161 4.932 ( -3.801 10.159 -2.445) 11.119 4.975 ( -1.083 2.190 -1.577) 2.908 5.015 ( 4.169 -1.525 -2.415) 5.054 5.141 ( -0.391 10.496 0.130) 10.504 5.180 ( 0.879 17.452 -0.483) 17.481 5.305 ( -1.426 17.437 3.262) 17.796 5.365 ( 2.847 15.079 2.172) 15.498 5.448 ( -1.440 19.431 1.517) 19.544 5.636 ( -1.329 18.111 -5.658) 19.021 5.780 ( 0.329 18.738 1.670) 18.815 5.897 ( 1.576 15.933 0.802) 16.030 5.956 ( -1.570 13.926 -2.948) 14.321 6.022 ( -0.628 15.205 -1.187) 15.264 6.296 ( 3.261 2.893 1.188) 4.518 6.368 ( 3.760 5.589 -1.287) 6.857 6.570 ( -1.333 0.511 4.626) 4.841 6.712 ( -3.309 0.746 -0.955) 3.524 8.079 ( 0.068 0.911 3.840) 3.947 8.097 ( 0.019 -0.393 2.473) 2.504 8.266 ( 2.047 0.061 -2.717) 3.402 8.342 ( 0.982 -0.660 -3.026) 3.249 8.846 ( 3.101 4.987 2.679) 6.455 8.972 ( 7.681 3.946 -1.780) 8.817 9.313 ( -4.485 0.255 1.091) 4.623 9.393 ( 0.871 0.031 -1.703) 1.913 9.853 ( 2.755 0.004 5.418) 6.078 10.094 ( 1.131 0.852 3.115) 3.422 10.110 ( 2.175 1.201 -2.124) 3.269 10.155 ( 4.330 -5.126 -0.279) 6.715 10.247 ( 2.824 -3.795 -3.458) 5.859 10.377 ( 5.814 -7.158 -0.363) 9.228 10.648 ( 2.675 4.941 0.271) 5.626 10.807 ( 5.236 7.194 -8.613) 12.383 10.952 ( -3.410 1.217 -0.142) 3.623 11.175 ( -1.778 10.007 -5.497) 11.555 11.353 ( -12.128 -3.003 4.047) 13.133 11.507 ( -14.336 0.393 -1.804) 14.455 11.765 ( -8.903 2.472 13.931) 16.716 11.913 ( -2.092 0.444 1.265) 2.485 11.975 ( -3.836 0.784 -0.144) 3.918 12.052 ( -3.511 7.038 1.027) 7.932 12.258 ( 4.390 -7.771 1.244) 9.011 12.449 ( 6.028 -5.670 0.078) 8.276 12.537 ( 5.153 -2.873 -6.107) 8.492 12.652 ( 3.169 1.561 -3.344) 4.864 12.879 ( 4.704 -11.069 8.017) 14.454 12.996 ( 6.936 -0.202 5.576) 8.901 13.264 ( -6.290 -2.674 -2.253) 7.196 13.273 ( -2.603 5.952 -2.172) 6.850 13.415 ( -5.186 -6.486 1.633) 8.464 13.470 ( -4.817 -3.432 -0.741) 5.961 13.721 ( 0.664 -6.509 -4.042) 7.690 13.842 ( -1.734 -0.885 -6.350) 6.642 15.989 ( 3.583 -2.338 -0.860) 4.364 16.138 ( -0.802 -2.112 -6.905) 7.265 16.311 ( 1.887 -2.119 4.882) 5.647 16.465 ( -1.974 -3.103 1.549) 3.990 16.706 ( 0.117 -12.858 3.218) 13.255 16.762 ( -0.710 -8.607 3.914) 9.481 16.849 ( 2.745 -12.566 -2.114) 13.035 16.922 ( 0.286 -9.734 -2.065) 9.955 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.406 ( 4.060 9.709 -0.097) 10.525 2.430 ( 2.580 9.242 -2.803) 9.996 2.520 ( -2.321 7.637 -1.009) 8.045 2.541 ( -4.563 5.082 -1.670) 7.031 2.734 ( 4.659 1.433 3.328) 5.902 2.820 ( -2.837 2.527 1.831) 4.218 2.889 ( 5.954 4.409 -2.742) 7.900 3.017 ( -4.123 2.108 -5.495) 7.186 3.115 ( 2.686 10.595 0.121) 10.931 3.200 ( -4.916 9.858 -2.859) 11.380 3.330 ( 5.208 1.367 2.833) 6.084 3.418 ( -2.297 2.350 2.290) 4.005 3.639 ( 1.581 2.144 2.513) 3.662 3.726 ( 1.548 -0.043 0.342) 1.586 3.746 ( -7.573 0.385 0.594) 7.606 3.811 ( -4.507 -3.135 4.091) 6.847 4.096 ( 1.824 -0.413 4.237) 4.631 4.154 ( -3.485 -2.647 2.598) 5.090 4.415 ( 5.579 6.475 0.502) 8.561 4.503 ( 0.253 4.022 -2.571) 4.780 4.558 ( 1.159 1.839 -0.809) 2.319 4.580 ( 1.727 1.218 -5.837) 6.207 4.770 ( -0.025 7.036 -3.351) 7.793 4.821 ( -5.527 10.710 -1.288) 12.121 4.985 ( 2.141 6.225 2.742) 7.131 5.036 ( -2.061 8.082 1.896) 8.553 5.175 ( 3.256 1.491 0.102) 3.583 5.210 ( 0.418 3.215 1.405) 3.533 5.308 ( 2.058 20.255 2.223) 20.481 5.374 ( -3.602 18.811 1.633) 19.223 5.455 ( 4.595 16.197 -3.080) 17.116 5.564 ( -5.249 14.882 -5.716) 16.784 5.826 ( 3.317 21.657 0.821) 21.925 5.888 ( -2.343 20.697 -0.736) 20.842 5.958 ( 1.519 16.471 -0.339) 16.544 5.993 ( -1.821 16.240 -0.537) 16.351 6.383 ( 4.497 1.197 0.672) 4.701 6.431 ( 0.993 2.733 -1.311) 3.190 6.552 ( 0.882 1.698 3.587) 4.065 6.624 ( -4.932 1.531 0.520) 5.191 8.082 ( 0.310 0.123 2.636) 2.657 8.092 ( -0.540 -0.156 2.040) 2.116 8.318 ( 2.771 -0.251 -1.347) 3.091 8.355 ( -0.435 -0.785 -2.247) 2.419 8.949 ( 7.019 5.894 2.382) 9.470 9.084 ( -2.402 4.845 -2.237) 5.852 9.242 ( 2.962 2.220 1.013) 3.838 9.360 ( -4.789 2.132 -2.978) 6.029 9.947 ( 5.907 -1.689 5.019) 7.933 10.056 ( -4.197 -2.118 3.512) 5.868 10.201 ( 6.752 -1.993 -2.949) 7.633 10.263 ( 3.590 -4.395 -2.339) 6.138 10.347 ( 4.563 -3.541 1.464) 5.959 10.434 ( -1.911 -5.174 2.122) 5.910 10.742 ( 6.782 2.604 -1.321) 7.384 10.863 ( -3.767 -5.081 -4.586) 7.813 10.950 ( 3.919 2.797 0.650) 4.859 11.089 ( 1.469 6.602 -4.190) 7.956 11.156 ( -10.422 -1.418 -0.921) 10.558 11.275 ( -6.917 5.827 -6.180) 10.954 11.590 ( -4.996 5.176 9.116) 11.613 11.668 ( -12.136 2.574 4.445) 13.178 12.002 ( 1.812 1.959 -2.221) 3.472 12.025 ( -0.803 3.733 -2.314) 4.465 12.386 ( 7.926 -1.656 4.805) 9.416 12.526 ( -2.936 -3.455 3.135) 5.513 12.616 ( 4.835 -3.293 -2.137) 6.228 12.690 ( -0.748 -2.510 0.265) 2.632 13.015 ( 7.495 -9.424 4.075) 12.712 13.101 ( 0.087 4.085 1.557) 4.372 13.166 ( 1.481 -1.872 1.661) 2.908 13.221 ( -2.327 8.443 0.229) 8.761 13.312 ( -4.417 -9.715 -0.095) 10.672 13.337 ( -6.717 -6.420 -1.275) 9.378 13.749 ( 2.018 -4.978 -5.392) 7.611 13.797 ( -2.559 -2.723 -6.126) 7.176 16.064 ( 3.347 -2.627 -2.802) 5.095 16.114 ( -1.695 -2.808 -4.517) 5.582 16.362 ( 2.935 -3.713 3.374) 5.812 16.419 ( -2.570 -4.523 2.193) 5.645 16.711 ( 0.564 -10.217 3.153) 10.707 16.734 ( -1.593 -8.494 3.595) 9.360 16.905 ( 2.170 -11.274 -1.950) 11.645 16.927 ( -0.121 -10.107 -1.727) 10.255 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.511 ( 0.000 10.233 -0.390) 10.241 2.532 ( 0.000 5.230 -0.522) 5.256 2.628 ( 0.000 0.456 0.939) 1.044 2.665 ( 0.000 6.896 -0.671) 6.928 2.750 ( 0.000 3.543 -0.847) 3.643 2.805 ( 0.000 0.538 -4.806) 4.836 3.013 ( 0.000 -2.272 -2.446) 3.338 3.018 ( 0.000 1.203 -1.772) 2.142 3.291 ( 0.000 5.708 9.446) 11.037 3.302 ( 0.000 7.292 -0.899) 7.347 3.427 ( 0.000 7.335 3.841) 8.280 3.506 ( 0.000 6.382 -5.454) 8.396 3.679 ( 0.000 -3.334 10.679) 11.187 3.830 ( 0.000 -3.736 1.953) 4.215 3.834 ( 0.000 -1.635 -3.103) 3.507 3.889 ( 0.000 -1.337 -3.439) 3.690 4.010 ( 0.000 -3.877 -1.120) 4.035 4.134 ( 0.000 -7.115 -3.259) 7.826 4.228 ( 0.000 -5.024 3.558) 6.156 4.238 ( 0.000 -4.499 0.831) 4.576 4.579 ( 0.000 -1.355 -1.498) 2.020 4.583 ( 0.000 0.974 -3.941) 4.060 4.821 ( 0.000 -7.107 1.862) 7.347 4.912 ( 0.000 -3.332 -3.012) 4.491 5.049 ( 0.000 8.580 0.801) 8.617 5.094 ( 0.000 6.877 0.676) 6.911 5.430 ( 0.000 11.418 0.149) 11.419 5.503 ( 0.000 9.657 -0.973) 9.706 5.616 ( 0.000 13.317 3.158) 13.686 5.641 ( 0.000 12.075 4.078) 12.745 5.848 ( 0.000 16.709 2.617) 16.913 5.972 ( 0.000 11.787 -7.019) 13.718 6.086 ( 0.000 12.622 -0.609) 12.636 6.100 ( 0.000 10.665 -2.085) 10.867 6.195 ( 0.000 10.973 -1.965) 11.148 6.325 ( 0.000 8.515 -5.113) 9.932 6.377 ( 0.000 10.444 4.980) 11.571 6.489 ( 0.000 8.058 0.171) 8.060 6.592 ( 0.000 0.588 4.178) 4.219 6.734 ( 0.000 -1.984 -0.928) 2.190 8.117 ( 0.000 2.605 1.702) 3.112 8.152 ( 0.000 5.091 3.731) 6.312 8.234 ( 0.000 -0.710 -2.844) 2.932 8.344 ( 0.000 1.329 -3.253) 3.514 8.918 ( 0.000 5.683 2.454) 6.190 8.990 ( 0.000 5.261 -0.345) 5.272 9.287 ( 0.000 -4.030 0.450) 4.055 9.316 ( 0.000 -4.465 -0.638) 4.511 9.898 ( 0.000 3.313 1.701) 3.724 10.043 ( 0.000 -0.105 1.132) 1.137 10.048 ( 0.000 -4.998 -4.471) 6.706 10.107 ( 0.000 3.328 6.441) 7.251 10.172 ( 0.000 -3.955 -1.279) 4.157 10.362 ( 0.000 11.617 -3.587) 12.158 10.717 ( 0.000 6.404 1.449) 6.565 10.827 ( 0.000 -5.876 -6.124) 8.487 11.041 ( 0.000 6.068 2.693) 6.638 11.379 ( 0.000 -8.734 7.201) 11.320 11.383 ( 0.000 4.219 -10.018) 10.870 11.610 ( 0.000 -11.045 -3.399) 11.556 11.798 ( 0.000 -13.039 4.233) 13.709 11.810 ( 0.000 -2.877 2.043) 3.529 11.942 ( 0.000 3.698 14.054) 14.532 11.981 ( 0.000 -3.469 -0.920) 3.589 12.201 ( 0.000 -6.917 -6.066) 9.200 12.334 ( 0.000 7.317 -0.763) 7.357 12.481 ( 0.000 -10.795 9.919) 14.660 12.639 ( 0.000 4.666 -2.163) 5.143 12.707 ( 0.000 -1.634 -2.697) 3.154 12.867 ( 0.000 -3.820 -3.964) 5.505 13.072 ( 0.000 -5.946 3.926) 7.125 13.420 ( 0.000 -2.501 -9.287) 9.618 13.518 ( 0.000 2.951 1.090) 3.146 13.541 ( 0.000 5.420 0.138) 5.422 13.622 ( 0.000 -1.094 2.926) 3.124 13.832 ( 0.000 -2.792 -5.124) 5.835 15.941 ( 0.000 1.575 -0.000) 1.575 16.123 ( 0.000 -1.239 -7.633) 7.733 16.266 ( 0.000 -1.041 4.975) 5.083 16.413 ( 0.000 -8.005 0.615) 8.029 16.508 ( 0.000 -3.786 -0.078) 3.786 16.569 ( 0.000 -7.231 -1.476) 7.380 16.686 ( 0.000 -2.875 4.505) 5.345 16.786 ( 0.000 -4.335 0.077) 4.336 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.535 ( 1.860 8.774 -0.852) 9.010 2.548 ( 1.913 6.531 -1.246) 6.918 2.635 ( -0.055 0.397 0.247) 0.470 2.666 ( 0.135 6.089 -0.024) 6.091 2.738 ( -0.938 3.387 -1.155) 3.700 2.820 ( 1.819 0.428 -2.460) 3.090 2.969 ( -3.734 0.740 -1.902) 4.256 3.023 ( 0.232 -2.885 -4.509) 5.358 3.275 ( 0.157 4.964 8.645) 9.970 3.320 ( 0.421 7.921 -0.054) 7.933 3.451 ( 0.439 7.664 2.812) 8.175 3.523 ( 2.304 6.186 -3.755) 7.594 3.653 ( -1.750 -0.145 7.647) 7.846 3.717 ( -4.206 -3.471 3.358) 6.404 3.855 ( -3.098 -0.513 -0.965) 3.285 3.875 ( -2.817 -0.937 -1.673) 3.408 4.012 ( 1.468 -4.016 0.707) 4.333 4.125 ( -2.829 -5.445 1.220) 6.256 4.244 ( 5.330 -7.722 -3.614) 10.055 4.317 ( 5.305 -4.513 -1.540) 7.133 4.556 ( -0.495 -0.314 -1.383) 1.502 4.624 ( 0.937 0.026 -1.539) 1.802 4.823 ( -0.207 -5.347 -1.423) 5.537 4.917 ( 0.580 -5.744 -3.213) 6.607 5.078 ( 2.873 8.633 1.765) 9.268 5.107 ( 1.397 7.069 0.653) 7.235 5.367 ( -5.037 10.839 2.955) 12.312 5.424 ( -6.413 9.435 1.520) 11.509 5.649 ( 2.535 13.213 0.940) 13.487 5.655 ( 1.012 11.856 1.881) 12.047 5.802 ( -3.412 15.181 1.721) 15.654 5.930 ( -4.077 10.752 -5.991) 12.966 6.126 ( 3.753 14.668 -0.221) 15.142 6.160 ( 4.622 11.289 -2.011) 12.364 6.229 ( 2.577 12.130 -1.954) 12.553 6.333 ( 0.184 11.800 -4.140) 12.506 6.392 ( 1.661 7.669 4.614) 9.102 6.498 ( 1.098 6.746 -0.330) 6.843 6.580 ( -1.181 0.518 3.925) 4.132 6.708 ( -2.489 -1.321 -0.699) 2.903 8.114 ( -0.229 2.788 1.601) 3.223 8.137 ( -1.003 3.850 2.312) 4.601 8.264 ( 2.388 -0.378 -1.460) 2.824 8.349 ( 0.308 0.417 -2.859) 2.905 8.970 ( 4.973 7.321 2.609) 9.227 9.061 ( 6.550 5.001 -0.660) 8.268 9.308 ( 1.125 -0.954 0.622) 1.601 9.363 ( 3.765 -2.892 -1.327) 4.929 9.903 ( 0.379 3.802 4.063) 5.578 10.047 ( -0.613 -3.809 0.578) 3.901 10.064 ( 2.469 -2.089 -0.329) 3.251 10.136 ( 3.353 -1.032 -0.444) 3.536 10.227 ( 3.701 -2.791 -0.842) 4.711 10.296 ( -3.706 4.913 -1.032) 6.240 10.750 ( -2.864 -2.480 -2.145) 4.353 10.783 ( 0.172 -0.729 -1.221) 1.433 11.025 ( -3.034 2.886 1.285) 4.380 11.171 ( -9.130 -4.008 0.309) 9.976 11.435 ( -1.359 8.370 -4.804) 9.746 11.500 ( -7.000 -1.063 -4.288) 8.278 11.771 ( -1.286 -7.463 7.833) 10.896 11.879 ( -5.845 -6.546 -0.162) 8.777 11.916 ( 1.803 1.272 3.783) 4.380 12.045 ( 7.141 -5.603 6.310) 11.054 12.152 ( -5.589 -1.298 -4.690) 7.411 12.316 ( 3.576 -3.680 -0.913) 5.212 12.442 ( -2.390 -8.935 7.248) 11.750 12.655 ( -2.144 -5.099 1.805) 5.819 12.783 ( 8.694 4.546 -2.299) 10.077 12.966 ( 6.075 -8.369 -5.043) 11.505 13.108 ( 4.908 1.829 4.352) 6.810 13.386 ( -5.764 2.502 -3.168) 7.037 13.459 ( -5.628 1.142 -0.465) 5.761 13.497 ( -2.950 5.679 -1.576) 6.591 13.593 ( -1.110 -4.484 1.022) 4.731 13.802 ( -2.928 -3.193 -5.484) 6.989 15.978 ( 3.157 1.126 -1.044) 3.511 16.109 ( -1.089 -1.000 -6.072) 6.250 16.265 ( -0.163 -2.518 3.637) 4.427 16.369 ( -3.318 -6.697 -0.150) 7.476 16.524 ( 2.230 -4.648 1.410) 5.345 16.642 ( 4.981 -6.248 -0.839) 8.034 16.675 ( -1.011 -2.615 3.936) 4.832 16.788 ( 0.088 -4.441 -0.045) 4.442 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.570 ( 1.619 6.740 -1.506) 7.094 2.594 ( 0.602 6.856 -2.975) 7.498 2.621 ( 0.671 4.128 0.129) 4.185 2.661 ( -1.483 6.171 -2.766) 6.923 2.746 ( 2.732 0.274 2.292) 3.576 2.824 ( -3.456 -1.198 2.016) 4.176 2.939 ( 2.666 -0.005 -4.373) 5.122 3.005 ( -2.413 -3.071 -5.354) 6.627 3.290 ( 0.761 4.359 5.188) 6.819 3.307 ( -1.134 5.435 2.170) 5.961 3.477 ( 3.102 10.138 1.577) 10.719 3.543 ( -1.682 8.470 -1.678) 8.797 3.643 ( 0.952 -1.432 5.270) 5.543 3.670 ( -1.118 -4.183 6.406) 7.732 3.782 ( -2.465 2.724 0.115) 3.676 3.800 ( -3.275 3.663 0.277) 4.921 4.043 ( 1.422 -3.879 1.151) 4.289 4.073 ( -1.824 -4.724 1.974) 5.435 4.370 ( 5.461 -10.031 -7.933) 13.906 4.408 ( 2.358 -8.112 -5.517) 10.089 4.553 ( 0.640 1.065 0.708) 1.430 4.600 ( -2.920 0.980 2.308) 3.848 4.834 ( 2.180 -3.020 -5.902) 6.979 4.899 ( -2.952 -4.916 -5.819) 8.169 5.155 ( 4.187 8.795 2.760) 10.124 5.167 ( 4.411 6.908 2.887) 8.690 5.264 ( -4.580 7.998 4.845) 10.413 5.292 ( -6.003 7.347 4.233) 10.389 5.674 ( 1.356 13.631 0.369) 13.703 5.699 ( 0.486 13.628 -0.331) 13.641 5.755 ( 0.762 12.105 -0.335) 12.134 5.832 ( -5.066 10.644 -3.851) 12.401 6.204 ( 3.375 15.393 -0.521) 15.767 6.235 ( 1.269 13.408 -1.865) 13.596 6.275 ( 2.216 14.157 -1.691) 14.429 6.317 ( -1.615 14.256 -1.859) 14.467 6.445 ( 3.355 4.541 3.033) 6.409 6.508 ( -1.899 4.402 1.159) 4.932 6.574 ( 2.191 0.527 1.387) 2.647 6.642 ( -3.750 0.057 -0.173) 3.755 8.112 ( 0.098 2.907 1.444) 3.247 8.120 ( -0.692 2.928 1.432) 3.332 8.314 ( 2.263 -0.775 -0.905) 2.558 8.346 ( -0.842 -0.858 -1.714) 2.093 9.103 ( 7.511 9.211 1.924) 12.040 9.198 ( 2.765 6.523 -1.607) 7.265 9.305 ( 1.225 4.122 1.539) 4.568 9.394 ( -2.467 1.553 -1.745) 3.397 9.947 ( 4.394 1.534 4.685) 6.603 10.029 ( -2.050 -1.504 3.487) 4.315 10.134 ( 3.616 -4.067 -2.943) 6.187 10.188 ( 2.992 -1.502 -1.088) 3.520 10.237 ( -0.368 -6.907 1.512) 7.080 10.300 ( -1.680 -7.581 2.465) 8.147 10.649 ( -1.625 -12.345 -4.444) 13.221 10.725 ( -7.869 -8.282 -4.072) 12.128 10.994 ( 5.700 4.707 2.898) 7.940 11.128 ( -2.584 3.358 -2.228) 4.787 11.317 ( -1.757 11.901 -1.745) 12.155 11.423 ( -6.059 8.379 -7.399) 12.715 11.709 ( -2.517 4.397 7.149) 8.762 11.736 ( -4.830 1.151 5.438) 7.364 11.966 ( 2.554 -3.492 -4.063) 5.935 12.021 ( -3.356 -3.361 -4.984) 6.885 12.244 ( 7.923 -8.895 5.205) 13.000 12.376 ( -4.841 -10.203 6.696) 13.129 12.437 ( 7.250 -10.671 1.989) 13.053 12.574 ( -5.713 -9.934 1.945) 11.623 12.977 ( 9.688 3.108 0.566) 10.190 13.072 ( 4.741 -1.463 -3.701) 6.190 13.216 ( -7.643 2.593 2.051) 8.327 13.259 ( 6.228 4.742 0.726) 7.862 13.295 ( -7.276 1.386 0.760) 7.446 13.416 ( -6.008 6.988 -0.225) 9.218 13.629 ( 4.078 -6.801 -4.560) 9.148 13.722 ( -4.685 -4.605 -5.695) 8.694 16.043 ( 2.828 0.449 -2.939) 4.103 16.085 ( -1.435 -0.240 -4.288) 4.528 16.269 ( 0.885 -5.320 1.878) 5.711 16.305 ( -2.681 -6.496 0.323) 7.035 16.584 ( 3.223 -2.614 3.244) 5.267 16.641 ( -2.297 -1.475 4.368) 5.151 16.733 ( 3.531 -6.311 -1.363) 7.359 16.780 ( -1.182 -5.198 -0.607) 5.365 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.593 ( 0.000 1.772 2.043) 2.704 2.615 ( 0.000 -0.316 1.323) 1.361 2.721 ( 0.000 9.401 0.287) 9.405 2.788 ( 0.000 2.153 -3.243) 3.893 2.807 ( 0.000 -0.315 -4.880) 4.890 2.828 ( 0.000 6.975 -3.482) 7.796 2.901 ( 0.000 -8.026 -0.554) 8.045 2.961 ( 0.000 -5.522 -1.898) 5.839 3.434 ( 0.000 6.600 8.559) 10.808 3.436 ( 0.000 5.838 3.868) 7.003 3.564 ( 0.000 -0.549 2.387) 2.449 3.579 ( 0.000 1.087 5.046) 5.161 3.629 ( 0.000 3.394 4.164) 5.372 3.739 ( 0.000 -4.521 -4.612) 6.458 3.815 ( 0.000 0.403 -5.090) 5.106 3.866 ( 0.000 -3.230 -3.294) 4.613 3.945 ( 0.000 -0.015 -1.882) 1.882 4.007 ( 0.000 -5.189 -3.321) 6.161 4.150 ( 0.000 -1.982 2.840) 3.463 4.160 ( 0.000 -2.753 1.950) 3.374 4.577 ( 0.000 1.441 -0.705) 1.604 4.608 ( 0.000 0.346 -2.514) 2.538 4.717 ( 0.000 -1.391 0.836) 1.623 4.791 ( 0.000 -6.524 -2.901) 7.140 5.187 ( 0.000 3.925 1.361) 4.154 5.198 ( 0.000 2.722 1.056) 2.920 5.594 ( 0.000 4.940 0.724) 4.993 5.621 ( 0.000 2.255 0.233) 2.267 5.787 ( 0.000 4.146 4.243) 5.932 5.794 ( 0.000 3.450 4.774) 5.890 6.073 ( 0.000 6.292 -4.898) 7.974 6.110 ( 0.000 2.513 -7.789) 8.185 6.281 ( 0.000 6.287 -1.275) 6.415 6.291 ( 0.000 6.682 -0.817) 6.732 6.348 ( 0.000 3.943 1.473) 4.210 6.396 ( 0.000 0.129 1.888) 1.893 6.573 ( 0.000 6.408 0.501) 6.428 6.598 ( 0.000 3.465 0.391) 3.487 6.620 ( 0.000 1.350 0.907) 1.626 6.674 ( 0.000 -3.792 -0.640) 3.846 8.180 ( 0.000 3.064 0.294) 3.078 8.220 ( 0.000 -1.010 -1.246) 1.604 8.258 ( 0.000 5.130 1.315) 5.296 8.338 ( 0.000 -2.393 -1.627) 2.894 9.043 ( 0.000 6.586 0.880) 6.644 9.085 ( 0.000 3.857 -1.000) 3.984 9.202 ( 0.000 -4.198 0.427) 4.219 9.207 ( 0.000 -5.790 0.414) 5.805 9.923 ( 0.000 0.867 -0.995) 1.320 9.964 ( 0.000 -3.227 -2.519) 4.094 10.070 ( 0.000 1.776 0.656) 1.893 10.110 ( 0.000 -2.375 -0.160) 2.381 10.284 ( 0.000 13.464 8.273) 15.803 10.567 ( 0.000 -9.919 1.604) 10.048 10.685 ( 0.000 12.728 0.048) 12.728 10.871 ( 0.000 7.643 1.029) 7.712 11.087 ( 0.000 -6.390 0.864) 6.448 11.110 ( 0.000 -20.037 -3.727) 20.381 11.321 ( 0.000 7.025 0.097) 7.025 11.511 ( 0.000 -8.693 -6.741) 11.000 11.712 ( 0.000 5.428 2.482) 5.969 11.778 ( 0.000 -0.352 1.238) 1.287 11.901 ( 0.000 -3.679 -1.741) 4.070 11.933 ( 0.000 -5.728 0.686) 5.769 12.155 ( 0.000 3.952 5.334) 6.638 12.278 ( 0.000 -7.835 10.881) 13.409 12.482 ( 0.000 7.640 -0.918) 7.695 12.658 ( 0.000 -8.553 -1.790) 8.738 12.711 ( 0.000 -0.798 -3.537) 3.626 12.713 ( 0.000 0.462 -3.235) 3.268 13.138 ( 0.000 7.164 0.583) 7.187 13.292 ( 0.000 -7.958 -5.056) 9.428 13.584 ( 0.000 3.002 1.131) 3.208 13.613 ( 0.000 0.672 0.967) 1.177 13.662 ( 0.000 4.192 -0.250) 4.199 13.755 ( 0.000 -4.656 -2.808) 5.437 16.000 ( 0.000 3.996 -0.961) 4.110 16.080 ( 0.000 -3.404 -3.479) 4.867 16.253 ( 0.000 -0.120 1.458) 1.462 16.281 ( 0.000 -3.802 -0.956) 3.921 16.469 ( 0.000 -0.941 -1.492) 1.764 16.478 ( 0.000 -2.200 -2.052) 3.009 16.680 ( 0.000 1.443 4.882) 5.091 16.722 ( 0.000 -2.541 2.659) 3.678 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.610 ( 1.824 1.763 2.064) 3.270 2.631 ( 1.363 -0.418 1.504) 2.073 2.724 ( 0.235 8.326 -0.974) 8.386 2.787 ( -0.426 3.191 -3.008) 4.406 2.804 ( -1.058 3.199 -3.605) 4.934 2.820 ( 0.089 2.048 -3.431) 3.996 2.896 ( -0.587 -6.763 -1.958) 7.065 2.936 ( -1.961 -5.466 -3.403) 6.731 3.392 ( -1.715 6.498 7.438) 10.024 3.453 ( -0.439 3.530 7.313) 8.132 3.544 ( -0.938 -0.102 4.157) 4.263 3.574 ( -3.146 -3.777 7.946) 9.343 3.641 ( 2.837 5.988 -0.329) 6.635 3.728 ( 1.014 -0.172 -3.394) 3.546 3.847 ( -0.521 0.521 -2.246) 2.364 3.868 ( 1.990 -0.327 -2.755) 3.414 3.966 ( 1.753 0.791 -1.430) 2.397 4.037 ( 1.532 -3.932 -4.489) 6.161 4.118 ( -0.985 -2.491 0.585) 2.742 4.186 ( 1.528 -7.047 -0.933) 7.271 4.589 ( 1.112 3.115 -0.507) 3.347 4.640 ( 1.859 0.890 -2.812) 3.486 4.708 ( -0.568 -3.181 0.439) 3.261 4.780 ( -0.825 -6.906 -2.737) 7.475 5.210 ( 2.339 3.665 1.689) 4.665 5.215 ( 1.894 2.999 1.390) 3.810 5.527 ( -5.804 4.794 2.484) 7.927 5.548 ( -6.319 2.696 1.939) 7.138 5.808 ( 1.543 3.931 2.852) 5.096 5.814 ( 2.261 3.513 2.352) 4.794 6.019 ( -4.394 6.542 -3.436) 8.598 6.061 ( -4.270 2.393 -5.799) 7.588 6.324 ( 4.335 5.845 -1.015) 7.348 6.348 ( 4.159 4.589 -1.888) 6.475 6.393 ( 3.904 5.372 1.167) 6.743 6.444 ( 3.638 1.320 0.317) 3.883 6.567 ( -0.671 5.818 0.582) 5.885 6.590 ( -0.783 3.272 0.515) 3.403 6.608 ( -1.176 1.445 0.824) 2.038 6.662 ( -1.226 -3.127 -0.502) 3.396 8.184 ( 0.280 3.491 0.363) 3.521 8.218 ( -0.612 2.459 -0.793) 2.655 8.255 ( 0.302 0.807 0.984) 1.308 8.324 ( -1.194 -3.176 -1.401) 3.671 9.127 ( 7.393 7.979 1.202) 10.944 9.166 ( 7.361 5.256 -0.420) 9.054 9.266 ( 5.786 -3.413 0.115) 6.719 9.277 ( 6.395 -5.761 -0.215) 8.610 9.927 ( 0.236 0.308 -0.612) 0.724 9.968 ( -0.104 -3.562 -2.313) 4.249 10.094 ( 2.357 1.103 1.459) 2.984 10.127 ( 1.507 -1.266 0.769) 2.113 10.230 ( -4.410 9.136 6.631) 12.120 10.467 ( -8.083 -1.795 -1.063) 8.348 10.530 ( -11.551 0.310 3.064) 11.954 10.779 ( -14.029 -11.927 -1.889) 18.510 11.036 ( 6.370 10.112 1.988) 12.116 11.256 ( 4.652 0.267 -6.177) 7.737 11.367 ( 3.976 -4.780 0.893) 6.281 11.496 ( -1.468 -5.001 -4.839) 7.112 11.719 ( 0.567 5.628 1.897) 5.966 11.797 ( 0.130 0.257 -1.648) 1.673 11.895 ( 0.716 -5.958 0.187) 6.004 11.934 ( -0.141 -5.536 0.932) 5.616 12.145 ( -0.557 3.595 3.600) 5.118 12.262 ( -1.332 -7.360 9.909) 12.414 12.353 ( -7.848 5.798 0.286) 9.762 12.513 ( -8.070 -9.183 0.522) 12.236 12.845 ( 9.414 2.014 -2.280) 9.894 12.875 ( 9.528 -1.300 -3.175) 10.127 13.208 ( 6.431 6.375 0.039) 9.055 13.340 ( 4.053 -6.306 -5.053) 9.040 13.496 ( -7.639 2.255 1.697) 8.143 13.521 ( -8.103 -0.069 1.583) 8.256 13.632 ( -3.266 4.427 -0.830) 5.563 13.723 ( -3.342 -4.530 -3.379) 6.566 16.024 ( 2.163 3.166 -1.508) 4.120 16.083 ( 0.414 -2.166 -3.350) 4.010 16.225 ( -2.458 -0.888 0.859) 2.751 16.252 ( -2.712 -3.897 -1.199) 4.897 16.495 ( 3.434 0.827 -0.195) 3.538 16.540 ( 4.513 -3.642 -1.478) 5.984 16.679 ( -0.381 1.626 4.554) 4.850 16.722 ( -0.209 -2.630 2.342) 3.528 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.661 ( 2.145 2.027 1.342) 3.242 2.667 ( 2.653 1.915 0.345) 3.290 2.718 ( -0.766 3.195 0.036) 3.285 2.762 ( -3.038 0.181 -1.114) 3.241 2.781 ( 0.396 6.111 -3.421) 7.015 2.807 ( -1.649 2.068 -2.511) 3.647 2.891 ( 0.825 -4.259 -5.467) 6.979 2.910 ( -0.838 -6.034 -4.925) 7.834 3.381 ( 0.783 5.677 7.540) 9.471 3.420 ( -2.513 5.090 7.746) 9.603 3.513 ( -0.830 -5.938 6.759) 9.035 3.529 ( -1.770 -4.734 6.650) 8.353 3.705 ( 4.202 8.166 0.391) 9.193 3.782 ( -0.438 7.221 -1.328) 7.355 3.827 ( 1.649 -0.482 0.965) 1.970 3.885 ( -1.143 1.278 -0.019) 1.715 3.996 ( 1.178 1.914 -1.696) 2.816 4.022 ( -1.624 3.377 -2.955) 4.772 4.159 ( 3.348 -10.454 -5.695) 12.366 4.201 ( -0.499 -11.134 -4.764) 12.121 4.613 ( 1.227 4.367 -0.623) 4.578 4.640 ( -1.365 3.879 -0.784) 4.186 4.721 ( 1.790 -6.318 -3.215) 7.311 4.759 ( -1.539 -7.354 -3.273) 8.195 5.280 ( 4.585 3.562 2.826) 6.458 5.284 ( 5.001 3.262 2.778) 6.585 5.396 ( -6.509 4.089 3.823) 8.585 5.408 ( -6.933 2.978 3.391) 8.273 5.853 ( 2.962 5.002 0.335) 5.823 5.874 ( 3.613 3.282 -0.277) 4.889 5.929 ( -4.110 5.718 -1.478) 7.195 5.964 ( -4.817 2.442 -2.833) 6.099 6.416 ( 3.842 6.166 -1.797) 7.484 6.430 ( 2.973 5.644 -2.155) 6.734 6.470 ( 3.194 4.745 0.015) 5.720 6.502 ( 1.030 2.984 -0.460) 3.190 6.546 ( -1.091 4.139 1.349) 4.487 6.564 ( -2.028 2.940 1.063) 3.726 6.587 ( 0.460 0.248 0.269) 0.588 6.625 ( -2.294 -1.748 -0.210) 2.892 8.190 ( 0.335 4.441 0.480) 4.479 8.200 ( -0.788 4.887 0.271) 4.958 8.273 ( 1.208 -3.271 -0.014) 3.487 8.298 ( -1.279 -4.010 -0.734) 4.272 9.289 ( 7.284 8.573 0.745) 11.274 9.328 ( 6.177 5.647 -0.751) 8.402 9.376 ( 3.357 1.614 0.241) 3.733 9.403 ( 3.402 -1.925 -0.705) 3.972 9.954 ( 3.881 -1.002 2.244) 4.594 9.972 ( 2.006 -3.034 1.634) 3.988 10.099 ( -4.369 -3.278 5.360) 7.652 10.124 ( -6.762 -2.176 4.299) 8.303 10.175 ( 3.567 3.043 -0.349) 4.702 10.280 ( -8.513 8.156 -2.272) 12.007 10.381 ( -0.025 -13.093 -2.018) 13.248 10.501 ( -11.120 -12.615 -3.145) 17.108 11.174 ( 6.431 12.587 0.230) 14.137 11.274 ( -2.719 10.350 -3.202) 11.170 11.443 ( 2.693 -9.746 -2.107) 10.328 11.471 ( -0.709 -3.843 -3.203) 5.052 11.730 ( 0.552 6.448 1.096) 6.564 11.757 ( -2.483 6.823 -0.580) 7.284 11.929 ( 0.926 -6.534 -2.004) 6.897 11.932 ( 0.224 -7.218 -1.091) 7.304 12.155 ( 2.054 2.302 2.913) 4.243 12.219 ( -3.753 -1.104 7.085) 8.093 12.271 ( 1.317 -6.090 3.525) 7.159 12.360 ( -6.688 -10.073 3.673) 12.637 13.046 ( 10.483 2.969 -0.181) 10.897 13.076 ( 10.351 0.120 -1.513) 10.462 13.272 ( -10.312 2.408 0.868) 10.625 13.297 ( -9.197 0.080 -0.135) 9.198 13.379 ( 6.516 5.206 0.015) 8.340 13.491 ( 6.052 -5.837 -3.593) 9.144 13.530 ( -6.456 4.193 -0.881) 7.749 13.624 ( -6.137 -4.983 -3.858) 8.796 16.075 ( 2.543 2.466 -2.251) 4.197 16.098 ( 0.626 1.030 -2.991) 3.225 16.175 ( -1.747 -3.424 -0.163) 3.848 16.190 ( -2.813 -4.425 -1.340) 5.412 16.581 ( 4.366 1.658 1.883) 5.035 16.631 ( 3.437 -2.615 0.123) 4.320 16.655 ( -1.520 0.741 3.318) 3.724 16.701 ( -2.083 -3.081 1.397) 3.972 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.171 ( 0.000 0.000 -24.734) 24.734 1.171 ( 0.000 0.000 24.734) 24.734 1.201 ( 0.000 0.000 -23.949) 23.949 1.201 ( 0.000 0.000 23.949) 23.949 2.117 ( 0.000 0.000 -34.117) 34.117 2.117 ( 0.000 0.000 34.117) 34.117 2.157 ( 0.000 0.000 -5.113) 5.113 2.157 ( 0.000 0.000 5.113) 5.113 2.508 ( 0.000 0.000 -1.673) 1.673 2.508 ( 0.000 0.000 1.673) 1.673 2.557 ( 0.000 0.000 -10.056) 10.056 2.557 ( 0.000 0.000 10.056) 10.056 2.681 ( 0.000 0.000 -6.869) 6.869 2.681 ( 0.000 0.000 6.869) 6.869 2.737 ( 0.000 0.000 -0.210) 0.210 2.737 ( 0.000 0.000 0.210) 0.210 2.777 ( 0.000 0.000 -0.038) 0.038 2.777 ( 0.000 0.000 0.038) 0.038 2.805 ( 0.000 0.000 -6.416) 6.416 2.805 ( 0.000 0.000 6.416) 6.416 3.176 ( 0.000 0.000 -3.661) 3.661 3.176 ( 0.000 0.000 3.661) 3.661 3.938 ( 0.000 0.000 -1.034) 1.034 3.938 ( 0.000 0.000 1.034) 1.034 4.165 ( 0.000 0.000 -5.037) 5.037 4.165 ( 0.000 0.000 5.037) 5.037 4.666 ( 0.000 0.000 -13.840) 13.840 4.666 ( 0.000 0.000 13.840) 13.840 4.987 ( 0.000 0.000 -10.502) 10.502 4.987 ( 0.000 0.000 10.502) 10.502 5.314 ( 0.000 0.000 -10.123) 10.123 5.314 ( 0.000 0.000 10.123) 10.123 5.709 ( 0.000 0.000 -3.574) 3.574 5.709 ( 0.000 0.000 3.574) 3.574 5.858 ( 0.000 0.000 -0.169) 0.169 5.858 ( 0.000 0.000 0.169) 0.169 6.196 ( 0.000 0.000 -4.998) 4.998 6.196 ( 0.000 0.000 4.998) 4.998 7.151 ( 0.000 0.000 -5.522) 5.522 7.151 ( 0.000 0.000 5.522) 5.522 8.104 ( 0.000 0.000 -9.484) 9.484 8.104 ( 0.000 0.000 9.484) 9.484 8.423 ( 0.000 0.000 -8.649) 8.649 8.423 ( 0.000 0.000 8.649) 8.649 8.502 ( 0.000 0.000 -10.732) 10.732 8.502 ( 0.000 0.000 10.732) 10.732 8.752 ( 0.000 0.000 -0.105) 0.105 8.752 ( 0.000 0.000 0.105) 0.105 9.108 ( 0.000 0.000 -4.324) 4.324 9.108 ( 0.000 0.000 4.324) 4.324 9.771 ( 0.000 0.000 -2.755) 2.755 9.771 ( 0.000 0.000 2.755) 2.755 9.980 ( 0.000 0.000 -7.807) 7.807 9.980 ( 0.000 0.000 7.807) 7.807 10.578 ( 0.000 0.000 -1.509) 1.509 10.578 ( 0.000 0.000 1.509) 1.509 10.699 ( 0.000 0.000 -14.184) 14.184 10.699 ( 0.000 0.000 14.184) 14.184 11.189 ( 0.000 0.000 -9.348) 9.348 11.189 ( 0.000 0.000 9.348) 9.348 11.345 ( 0.000 0.000 -1.201) 1.201 11.345 ( 0.000 0.000 1.201) 1.201 11.603 ( 0.000 0.000 -0.080) 0.080 11.603 ( 0.000 0.000 0.080) 0.080 12.801 ( 0.000 0.000 -0.556) 0.556 12.801 ( 0.000 0.000 0.556) 0.556 12.827 ( 0.000 0.000 -0.176) 0.176 12.827 ( 0.000 0.000 0.176) 0.176 12.917 ( 0.000 0.000 -9.877) 9.877 12.917 ( 0.000 0.000 9.877) 9.877 13.203 ( 0.000 0.000 -2.803) 2.803 13.203 ( 0.000 0.000 2.803) 2.803 14.160 ( 0.000 0.000 -1.465) 1.465 14.160 ( 0.000 0.000 1.465) 1.465 14.470 ( 0.000 0.000 -4.133) 4.133 14.470 ( 0.000 0.000 4.133) 4.133 16.116 ( 0.000 0.000 -1.276) 1.276 16.116 ( 0.000 0.000 1.276) 1.276 16.570 ( 0.000 0.000 -0.641) 0.641 16.570 ( 0.000 0.000 0.641) 0.641 17.970 ( 0.000 0.000 -6.496) 6.496 17.970 ( 0.000 0.000 6.496) 6.496 18.493 ( 0.000 0.000 -3.533) 3.533 18.493 ( 0.000 0.000 3.533) 3.533 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.301 ( 9.309 0.000 -21.028) 22.996 1.301 ( 9.309 0.000 21.028) 22.996 1.331 ( 14.182 0.000 -20.554) 24.972 1.331 ( 14.182 0.000 20.554) 24.972 2.060 ( -8.939 0.000 -6.287) 10.929 2.060 ( -8.939 0.000 6.287) 10.929 2.222 ( 8.662 0.000 -24.229) 25.731 2.222 ( 8.662 0.000 24.229) 25.731 2.406 ( -11.329 0.000 -10.381) 15.366 2.406 ( -11.329 0.000 10.381) 15.366 2.523 ( 1.340 0.000 -0.372) 1.391 2.523 ( 1.340 0.000 0.372) 1.391 2.639 ( -2.571 0.000 -2.928) 3.896 2.639 ( -2.571 0.000 2.928) 3.896 2.849 ( 5.035 0.000 -3.043) 5.883 2.849 ( 5.035 0.000 3.043) 5.883 2.863 ( 5.715 0.000 -10.011) 11.528 2.863 ( 5.715 0.000 10.011) 11.528 2.895 ( 12.442 0.000 -3.847) 13.023 2.895 ( 12.442 0.000 3.847) 13.023 3.161 ( -1.496 0.000 -3.398) 3.713 3.161 ( -1.496 0.000 3.398) 3.713 3.819 ( -8.943 0.000 -10.736) 13.972 3.819 ( -8.943 0.000 10.736) 13.972 4.153 ( -5.355 0.000 -14.036) 15.023 4.153 ( -5.355 0.000 14.036) 15.023 4.457 ( -13.137 0.000 -16.115) 20.791 4.457 ( -13.137 0.000 16.115) 20.791 5.084 ( 3.072 0.000 -4.859) 5.748 5.084 ( 3.072 0.000 4.859) 5.748 5.326 ( 1.918 0.000 -9.192) 9.390 5.326 ( 1.918 0.000 9.192) 9.390 5.686 ( -2.069 0.000 -1.405) 2.501 5.686 ( -2.069 0.000 1.405) 2.501 5.916 ( 5.831 0.000 -0.981) 5.913 5.916 ( 5.831 0.000 0.981) 5.913 6.258 ( 5.835 0.000 -7.679) 9.645 6.258 ( 5.835 0.000 7.679) 9.645 7.097 ( -5.215 0.000 -6.013) 7.960 7.097 ( -5.215 0.000 6.013) 7.960 8.109 ( 0.492 0.000 -8.572) 8.586 8.109 ( 0.492 0.000 8.572) 8.586 8.379 ( -3.515 0.000 -7.665) 8.433 8.379 ( -3.515 0.000 7.665) 8.433 8.543 ( 1.668 0.000 -6.452) 6.664 8.543 ( 1.668 0.000 6.452) 6.664 8.734 ( -0.131 0.000 -2.501) 2.505 8.734 ( -0.131 0.000 2.501) 2.505 9.187 ( 6.976 0.000 -3.855) 7.971 9.187 ( 6.976 0.000 3.855) 7.971 9.726 ( -4.276 0.000 -2.833) 5.129 9.726 ( -4.276 0.000 2.833) 5.129 10.102 ( 10.812 0.000 -5.737) 12.240 10.102 ( 10.812 0.000 5.737) 12.240 10.580 ( 0.196 0.000 -1.199) 1.215 10.580 ( 0.196 0.000 1.199) 1.215 10.628 ( -5.150 0.000 -8.554) 9.985 10.628 ( -5.150 0.000 8.554) 9.985 11.333 ( 11.759 0.000 -3.415) 12.244 11.333 ( 11.759 0.000 3.415) 12.244 11.346 ( 0.119 0.000 -0.971) 0.978 11.346 ( 0.119 0.000 0.971) 0.978 11.648 ( 3.631 0.000 -3.648) 5.147 11.648 ( 3.631 0.000 3.648) 5.147 12.763 ( -17.462 0.000 -8.564) 19.450 12.763 ( -17.462 0.000 8.564) 19.450 12.801 ( 0.012 0.000 -0.460) 0.460 12.801 ( 0.012 0.000 0.460) 0.460 12.826 ( -0.042 0.000 -0.156) 0.162 12.826 ( -0.042 0.000 0.156) 0.162 13.088 ( -5.507 0.000 -1.802) 5.795 13.088 ( -5.507 0.000 1.802) 5.795 14.129 ( -2.539 0.000 -1.525) 2.962 14.129 ( -2.539 0.000 1.525) 2.962 14.488 ( 1.293 0.000 -3.376) 3.616 14.488 ( 1.293 0.000 3.376) 3.616 16.202 ( 7.262 0.000 -2.861) 7.805 16.202 ( 7.262 0.000 2.861) 7.805 16.616 ( 3.393 0.000 -2.756) 4.371 16.616 ( 3.393 0.000 2.756) 4.371 17.963 ( -0.763 0.000 -6.152) 6.199 17.963 ( -0.763 0.000 6.152) 6.199 18.382 ( -8.764 0.000 -1.318) 8.863 18.382 ( -8.764 0.000 1.318) 8.863 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.539 ( 13.197 0.000 -14.821) 19.845 1.539 ( 13.197 0.000 14.821) 19.845 1.665 ( 17.428 0.000 -14.689) 22.793 1.665 ( 17.428 0.000 14.689) 22.793 1.831 ( -12.811 0.000 -9.507) 15.953 1.831 ( -12.811 0.000 9.507) 15.953 2.053 ( -16.926 0.000 -12.415) 20.992 2.053 ( -16.926 0.000 12.415) 20.992 2.510 ( 10.721 0.000 -19.576) 22.320 2.510 ( 10.721 0.000 19.576) 22.320 2.555 ( 1.667 0.000 -1.231) 2.072 2.555 ( 1.667 0.000 1.231) 2.072 2.593 ( -1.947 0.000 -0.438) 1.996 2.593 ( -1.947 0.000 0.438) 1.996 2.937 ( 2.974 0.000 -1.894) 3.526 2.937 ( 2.974 0.000 1.894) 3.526 2.978 ( 3.866 0.000 -8.221) 9.085 2.978 ( 3.866 0.000 8.221) 9.085 3.125 ( -1.554 0.000 -1.932) 2.480 3.125 ( -1.554 0.000 1.932) 2.480 3.135 ( 8.238 0.000 -9.564) 12.623 3.135 ( 8.238 0.000 9.564) 12.623 3.636 ( -7.380 0.000 -8.411) 11.190 3.636 ( -7.380 0.000 8.411) 11.190 3.978 ( -7.071 0.000 -9.416) 11.776 3.978 ( -7.071 0.000 9.416) 11.776 4.249 ( -6.891 0.000 -7.232) 9.989 4.249 ( -6.891 0.000 7.232) 9.989 5.101 ( 0.021 0.000 -3.876) 3.876 5.101 ( 0.021 0.000 3.876) 3.876 5.345 ( -0.163 0.000 -1.895) 1.902 5.345 ( -0.163 0.000 1.895) 1.902 5.676 ( 0.661 0.000 -1.001) 1.199 5.676 ( 0.661 0.000 1.001) 1.199 6.018 ( 2.882 0.000 -1.095) 3.083 6.018 ( 2.882 0.000 1.095) 3.083 6.400 ( 6.260 0.000 -5.630) 8.419 6.400 ( 6.260 0.000 5.630) 8.419 6.974 ( -5.190 0.000 -4.837) 7.094 6.974 ( -5.190 0.000 4.837) 7.094 8.121 ( 0.465 0.000 -4.196) 4.221 8.121 ( 0.465 0.000 4.196) 4.221 8.316 ( -2.016 0.000 -3.769) 4.274 8.316 ( -2.016 0.000 3.769) 4.274 8.521 ( -1.909 0.000 -2.543) 3.180 8.521 ( -1.909 0.000 2.543) 3.180 8.775 ( 2.296 0.000 -2.207) 3.185 8.775 ( 2.296 0.000 2.207) 3.185 9.341 ( 6.617 0.000 -2.545) 7.090 9.341 ( 6.617 0.000 2.545) 7.090 9.618 ( -5.259 0.000 -2.244) 5.718 9.618 ( -5.259 0.000 2.244) 5.718 10.333 ( 9.709 0.000 -0.398) 9.717 10.333 ( 9.709 0.000 0.398) 9.717 10.528 ( -4.733 0.000 -3.869) 6.113 10.528 ( -4.733 0.000 3.869) 6.113 10.584 ( 0.115 0.000 -0.445) 0.460 10.584 ( 0.115 0.000 0.445) 0.460 11.349 ( 0.073 0.000 -0.370) 0.378 11.349 ( 0.073 0.000 0.370) 0.378 11.583 ( 10.810 0.000 -7.545) 13.183 11.583 ( 10.810 0.000 7.545) 13.183 11.708 ( 1.651 0.000 -6.325) 6.537 11.708 ( 1.651 0.000 6.325) 6.537 12.348 ( -17.209 0.000 -3.157) 17.496 12.348 ( -17.209 0.000 3.157) 17.496 12.801 ( 0.008 0.000 -0.183) 0.183 12.801 ( 0.008 0.000 0.183) 0.183 12.826 ( -0.027 0.000 -0.068) 0.073 12.826 ( -0.027 0.000 0.068) 0.073 13.038 ( -0.665 0.000 -0.966) 1.173 13.038 ( -0.665 0.000 0.966) 1.173 14.084 ( -1.429 0.000 -0.567) 1.537 14.084 ( -1.429 0.000 0.567) 1.537 14.508 ( 0.576 0.000 -1.243) 1.370 14.508 ( 0.576 0.000 1.243) 1.370 16.343 ( 4.906 0.000 -2.058) 5.320 16.343 ( 4.906 0.000 2.058) 5.320 16.661 ( 0.778 0.000 -2.015) 2.160 16.661 ( 0.778 0.000 2.015) 2.160 17.941 ( -1.027 0.000 -3.049) 3.217 17.941 ( -1.027 0.000 3.049) 3.217 18.238 ( -4.009 0.000 -1.587) 4.312 18.238 ( -4.009 0.000 1.587) 4.312 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.270 ( 0.000 9.572 -21.533) 23.564 1.270 ( 0.000 9.572 21.533) 23.564 1.393 ( 0.000 15.681 -22.065) 27.069 1.393 ( 0.000 15.681 22.065) 27.069 2.264 ( 0.000 17.200 -13.998) 22.176 2.264 ( 0.000 17.200 13.998) 22.176 2.366 ( 0.000 13.515 -3.595) 13.985 2.366 ( 0.000 13.515 3.595) 13.985 2.568 ( 0.000 7.042 -0.552) 7.064 2.568 ( 0.000 7.042 0.552) 7.064 2.619 ( 0.000 7.337 -3.077) 7.956 2.619 ( 0.000 7.337 3.077) 7.956 2.734 ( 0.000 1.791 -7.000) 7.225 2.734 ( 0.000 1.791 7.000) 7.225 2.819 ( 0.000 9.846 -5.839) 11.447 2.819 ( 0.000 9.846 5.839) 11.447 2.887 ( 0.000 14.467 -1.373) 14.532 2.887 ( 0.000 14.467 1.373) 14.532 2.986 ( 0.000 16.968 -0.914) 16.993 2.986 ( 0.000 16.968 0.914) 16.993 3.358 ( 0.000 16.960 -3.927) 17.409 3.358 ( 0.000 16.960 3.927) 17.409 3.932 ( 0.000 -0.152 -1.163) 1.173 3.932 ( 0.000 -0.152 1.163) 1.173 4.165 ( 0.000 0.172 -4.322) 4.326 4.165 ( 0.000 0.172 4.322) 4.326 4.652 ( 0.000 -1.304 -14.541) 14.599 4.652 ( 0.000 -1.304 14.541) 14.599 4.975 ( 0.000 -1.078 -9.871) 9.929 4.975 ( 0.000 -1.078 9.871) 9.929 5.271 ( 0.000 -3.885 -7.612) 8.546 5.271 ( 0.000 -3.885 7.612) 8.546 5.690 ( 0.000 -1.821 -3.940) 4.340 5.690 ( 0.000 -1.821 3.940) 4.340 5.837 ( 0.000 -1.457 -0.534) 1.552 5.837 ( 0.000 -1.457 0.534) 1.552 6.179 ( 0.000 -1.398 -3.951) 4.191 6.179 ( 0.000 -1.398 3.951) 4.191 7.029 ( 0.000 -9.716 -4.615) 10.756 7.029 ( 0.000 -9.716 4.615) 10.756 8.207 ( 0.000 6.972 -5.372) 8.802 8.207 ( 0.000 6.972 5.372) 8.802 8.456 ( 0.000 -2.528 -9.114) 9.458 8.456 ( 0.000 -2.528 9.114) 9.458 8.604 ( 0.000 12.359 -7.231) 14.319 8.604 ( 0.000 12.359 7.231) 14.319 8.733 ( 0.000 0.835 -0.547) 0.998 8.733 ( 0.000 0.835 0.547) 0.998 9.293 ( 0.000 16.625 -3.788) 17.052 9.293 ( 0.000 16.625 3.788) 17.052 9.890 ( 0.000 10.856 -2.838) 11.221 9.890 ( 0.000 10.856 2.838) 11.221 10.003 ( 0.000 2.531 -9.567) 9.896 10.003 ( 0.000 2.531 9.567) 9.896 10.521 ( 0.000 -4.015 -5.139) 6.521 10.521 ( 0.000 -4.015 5.139) 6.521 10.783 ( 0.000 6.250 -10.883) 12.550 10.783 ( 0.000 6.250 10.883) 12.550 11.141 ( 0.000 -3.763 -8.354) 9.162 11.141 ( 0.000 -3.763 8.354) 9.162 11.294 ( 0.000 -2.439 -2.126) 3.235 11.294 ( 0.000 -2.439 2.126) 3.235 11.759 ( 0.000 11.112 -1.514) 11.215 11.759 ( 0.000 11.112 1.514) 11.215 12.604 ( 0.000 -15.683 -0.071) 15.683 12.604 ( 0.000 -15.683 0.071) 15.683 12.814 ( 0.000 -0.605 -0.629) 0.873 12.814 ( 0.000 -0.605 0.629) 0.873 12.916 ( 0.000 -0.263 -9.640) 9.644 12.916 ( 0.000 -0.263 9.640) 9.644 13.290 ( 0.000 6.727 -3.243) 7.468 13.290 ( 0.000 6.727 3.243) 7.468 14.147 ( 0.000 -1.907 -0.226) 1.920 14.147 ( 0.000 -1.907 0.226) 1.920 14.395 ( 0.000 -7.349 -3.524) 8.150 14.395 ( 0.000 -7.349 3.524) 8.150 16.184 ( 0.000 4.721 -0.701) 4.772 16.184 ( 0.000 4.721 0.701) 4.772 16.551 ( 0.000 -1.697 -0.527) 1.777 16.551 ( 0.000 -1.697 0.527) 1.777 17.885 ( 0.000 -8.300 -5.833) 10.145 17.885 ( 0.000 -8.300 5.833) 10.145 18.336 ( 0.000 -14.447 -0.535) 14.456 18.336 ( 0.000 -14.447 0.535) 14.456 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.395 ( 11.306 8.516 -19.171) 23.830 1.395 ( 11.306 8.516 19.171) 23.830 1.499 ( 9.938 14.168 -20.125) 26.543 1.499 ( 9.938 14.168 20.125) 26.543 2.222 ( -8.478 13.863 -3.967) 16.727 2.222 ( -8.478 13.863 3.967) 16.727 2.338 ( -2.199 8.457 -10.433) 13.608 2.338 ( -2.199 8.457 10.433) 13.608 2.441 ( -3.500 9.952 -20.321) 22.896 2.441 ( -3.500 9.952 20.321) 22.896 2.701 ( 2.649 12.929 -4.639) 13.989 2.701 ( 2.649 12.929 4.639) 13.989 2.781 ( -0.615 12.457 -1.403) 12.551 2.781 ( -0.615 12.457 1.403) 12.551 2.887 ( 11.204 4.360 -8.035) 14.460 2.887 ( 11.204 4.360 8.035) 14.460 2.938 ( 6.165 9.581 -1.626) 11.509 2.938 ( 6.165 9.581 1.626) 11.509 3.047 ( 4.377 16.008 -2.661) 16.807 3.047 ( 4.377 16.008 2.661) 16.807 3.345 ( -1.189 17.045 -3.507) 17.443 3.345 ( -1.189 17.045 3.507) 17.443 3.822 ( -8.442 0.582 -10.343) 13.364 3.822 ( -8.442 0.582 10.343) 13.364 4.150 ( -4.913 0.172 -12.607) 13.531 4.150 ( -4.913 0.172 12.607) 13.531 4.446 ( -13.311 -0.869 -15.621) 20.541 4.446 ( -13.311 -0.869 15.621) 20.541 5.069 ( 3.244 -1.476 -4.794) 5.974 5.069 ( 3.244 -1.476 4.794) 5.974 5.288 ( 2.063 -3.289 -8.448) 9.298 5.288 ( 2.063 -3.289 8.448) 9.298 5.645 ( -2.529 -3.626 -0.612) 4.463 5.645 ( -2.529 -3.626 0.612) 4.463 5.899 ( 4.792 -1.596 -1.183) 5.188 5.899 ( 4.792 -1.596 1.183) 5.188 6.243 ( 6.041 -1.076 -6.644) 9.044 6.243 ( 6.041 -1.076 6.644) 9.044 6.985 ( -4.356 -9.083 -6.449) 11.961 6.985 ( -4.356 -9.083 6.449) 11.961 8.216 ( 1.109 7.150 -5.079) 8.840 8.216 ( 1.109 7.150 5.079) 8.840 8.447 ( -2.466 0.842 -3.477) 4.345 8.447 ( -2.466 0.842 3.477) 4.345 8.599 ( 0.753 8.612 -4.509) 9.750 8.599 ( 0.753 8.612 4.509) 9.750 8.756 ( 1.715 3.806 -2.326) 4.779 8.756 ( 1.715 3.806 2.326) 4.779 9.344 ( 4.935 14.857 -3.512) 16.044 9.344 ( 4.935 14.857 3.512) 16.044 9.839 ( -4.576 10.247 -2.714) 11.546 9.839 ( -4.576 10.247 2.714) 11.546 10.110 ( 9.623 1.379 -6.184) 11.522 10.110 ( 9.623 1.379 6.184) 11.522 10.527 ( 0.021 -2.901 -4.591) 5.431 10.527 ( 0.021 -2.901 4.591) 5.431 10.700 ( -4.723 4.528 -4.610) 8.003 10.700 ( -4.723 4.528 4.610) 8.003 11.265 ( 2.992 -4.648 -1.740) 5.795 11.265 ( 2.992 -4.648 1.740) 5.795 11.341 ( 10.504 -0.282 -3.546) 11.090 11.341 ( 10.504 -0.282 3.546) 11.090 11.750 ( -1.040 7.512 -3.302) 8.271 11.750 ( -1.040 7.512 3.302) 8.271 12.577 ( -2.946 -15.735 -1.295) 16.060 12.577 ( -2.946 -15.735 1.295) 16.060 12.735 ( -13.252 -2.175 -7.332) 15.301 12.735 ( -13.252 -2.175 7.332) 15.301 12.842 ( -2.567 1.121 -2.883) 4.020 12.842 ( -2.567 1.121 2.883) 4.020 13.227 ( -2.209 9.364 -0.849) 9.659 13.227 ( -2.209 9.364 0.849) 9.659 14.115 ( -2.549 -2.201 -1.385) 3.642 14.115 ( -2.549 -2.201 1.385) 3.642 14.429 ( 2.303 -6.016 -2.800) 7.023 14.429 ( 2.303 -6.016 2.800) 7.023 16.242 ( 5.217 2.718 -2.619) 6.439 16.242 ( 5.217 2.718 2.619) 6.439 16.597 ( 3.491 -1.670 -2.855) 4.810 16.597 ( 3.491 -1.670 2.855) 4.810 17.877 ( -0.948 -8.463 -5.481) 10.127 17.877 ( -0.948 -8.463 5.481) 10.127 18.252 ( -6.737 -12.266 -1.564) 14.081 18.252 ( -6.737 -12.266 1.564) 14.081 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.667 ( 14.347 9.122 -9.268) 19.363 1.667 ( 14.347 9.122 9.268) 19.363 1.754 ( 13.321 9.549 -12.091) 20.367 1.754 ( 13.321 9.549 12.091) 20.367 1.994 ( -11.915 12.654 -5.633) 18.271 1.994 ( -11.915 12.654 5.633) 18.271 2.104 ( -14.947 6.703 -8.533) 18.470 2.104 ( -14.947 6.703 8.533) 18.470 2.544 ( 5.523 9.809 -8.060) 13.845 2.544 ( 5.523 9.809 8.060) 13.845 2.716 ( -0.646 12.263 -1.101) 12.329 2.716 ( -0.646 12.263 1.101) 12.329 2.802 ( 2.612 16.668 -3.438) 17.218 2.802 ( 2.612 16.668 3.438) 17.218 3.057 ( 4.337 10.454 -7.675) 13.675 3.057 ( 4.337 10.454 7.675) 13.675 3.113 ( 5.616 12.794 -0.907) 14.002 3.113 ( 5.616 12.794 0.907) 14.002 3.149 ( 6.123 5.540 -9.034) 12.239 3.149 ( 6.123 5.540 9.034) 12.239 3.322 ( -0.520 17.374 -2.264) 17.528 3.322 ( -0.520 17.374 2.264) 17.528 3.651 ( -6.962 1.981 -8.100) 10.863 3.651 ( -6.962 1.981 8.100) 10.863 3.979 ( -7.480 0.744 -8.909) 11.656 3.979 ( -7.480 0.744 8.909) 11.656 4.235 ( -6.816 -1.218 -7.246) 10.022 4.235 ( -6.816 -1.218 7.246) 10.022 5.095 ( 0.464 -0.594 -3.623) 3.700 5.095 ( 0.464 -0.594 3.623) 3.700 5.304 ( -0.456 -3.618 -1.795) 4.064 5.304 ( -0.456 -3.618 1.795) 4.064 5.637 ( 0.866 -3.779 -1.170) 4.050 5.637 ( 0.866 -3.779 1.170) 4.050 5.976 ( 2.102 -3.888 -0.555) 4.455 5.976 ( 2.102 -3.888 0.555) 4.455 6.388 ( 6.224 -0.821 -5.034) 8.047 6.388 ( 6.224 -0.821 5.034) 8.047 6.877 ( -4.819 -8.105 -5.073) 10.708 6.877 ( -4.819 -8.105 5.073) 10.708 8.261 ( 3.527 6.730 -3.316) 8.290 8.261 ( 3.527 6.730 3.316) 8.290 8.355 ( -5.438 5.648 -1.313) 7.949 8.355 ( -5.438 5.648 1.313) 7.949 8.619 ( 0.446 8.946 -1.867) 9.150 8.619 ( 0.446 8.946 1.867) 9.150 8.791 ( 1.381 2.945 -1.962) 3.799 8.791 ( 1.381 2.945 1.962) 3.799 9.467 ( 5.829 12.086 -2.148) 13.589 9.467 ( 5.829 12.086 2.148) 13.589 9.726 ( -5.403 10.388 -1.744) 11.839 9.726 ( -5.403 10.388 1.744) 11.839 10.321 ( 9.211 -0.788 -0.733) 9.274 10.321 ( 9.211 -0.788 0.733) 9.274 10.482 ( -4.476 -1.958 -2.233) 5.372 10.482 ( -4.476 -1.958 2.233) 5.372 10.669 ( 0.972 5.553 -0.136) 5.639 10.669 ( 0.972 5.553 0.136) 5.639 11.275 ( -0.016 -5.446 -0.683) 5.489 11.275 ( -0.016 -5.446 0.683) 5.489 11.610 ( 11.321 1.471 -5.614) 12.722 11.610 ( 11.321 1.471 5.614) 12.722 11.723 ( -0.646 1.067 -4.911) 5.067 11.723 ( -0.646 1.067 4.911) 5.067 12.334 ( -16.326 -1.455 -3.025) 16.668 12.334 ( -16.326 -1.455 3.025) 16.668 12.552 ( -1.990 -14.892 -1.486) 15.098 12.552 ( -1.990 -14.892 1.486) 15.098 12.831 ( 0.049 0.798 -0.567) 0.980 12.831 ( 0.049 0.798 0.567) 0.980 13.228 ( 0.862 11.024 -0.223) 11.060 13.228 ( 0.862 11.024 0.223) 11.060 14.069 ( -1.449 -2.208 -0.574) 2.703 14.069 ( -1.449 -2.208 0.574) 2.703 14.462 ( 0.841 -5.029 -1.054) 5.207 14.462 ( 0.841 -5.029 1.054) 5.207 16.350 ( 3.986 0.295 -1.759) 4.366 16.350 ( 3.986 0.295 1.759) 4.366 16.646 ( 0.966 -1.481 -1.982) 2.656 16.646 ( 0.966 -1.481 1.982) 2.656 17.850 ( -1.188 -8.839 -2.620) 9.295 17.850 ( -1.188 -8.839 2.620) 9.295 18.141 ( -3.108 -9.485 -1.363) 10.073 18.141 ( -3.108 -9.485 1.363) 10.073 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.511 ( 0.000 13.777 -11.569) 17.990 1.511 ( 0.000 13.777 11.569) 17.990 1.734 ( 0.000 18.084 -14.187) 22.985 1.734 ( 0.000 18.084 14.187) 22.985 2.506 ( 0.000 4.887 -7.152) 8.662 2.506 ( 0.000 4.887 7.152) 8.662 2.622 ( 0.000 6.183 -4.949) 7.919 2.622 ( 0.000 6.183 4.949) 7.919 2.708 ( 0.000 5.137 -2.310) 5.633 2.708 ( 0.000 5.137 2.310) 5.633 2.865 ( 0.000 21.506 -4.739) 22.022 2.865 ( 0.000 21.506 4.739) 22.022 3.005 ( 0.000 28.206 -14.385) 31.662 3.005 ( 0.000 28.206 14.385) 31.662 3.159 ( 0.000 21.654 -2.834) 21.839 3.159 ( 0.000 21.654 2.834) 21.839 3.306 ( 0.000 25.055 -2.023) 25.136 3.306 ( 0.000 25.055 2.023) 25.136 3.393 ( 0.000 22.646 -0.565) 22.653 3.393 ( 0.000 22.646 0.565) 22.653 3.779 ( 0.000 22.910 -6.933) 23.936 3.779 ( 0.000 22.910 6.933) 23.936 3.959 ( 0.000 4.169 -4.182) 5.905 3.959 ( 0.000 4.169 4.182) 5.905 4.191 ( 0.000 3.576 -2.132) 4.163 4.191 ( 0.000 3.576 2.132) 4.163 4.628 ( 0.000 -0.507 -15.030) 15.038 4.628 ( 0.000 -0.507 15.030) 15.038 4.951 ( 0.000 -0.991 -7.872) 7.935 4.951 ( 0.000 -0.991 7.872) 7.935 5.175 ( 0.000 -5.584 -3.739) 6.721 5.175 ( 0.000 -5.584 3.739) 6.721 5.640 ( 0.000 -3.097 -4.497) 5.461 5.640 ( 0.000 -3.097 4.497) 5.461 5.814 ( 0.000 -0.870 -3.194) 3.310 5.814 ( 0.000 -0.870 3.194) 3.310 6.157 ( 0.000 -0.398 -1.660) 1.708 6.157 ( 0.000 -0.398 1.660) 1.708 6.839 ( 0.000 -8.651 -2.859) 9.111 6.839 ( 0.000 -8.651 2.859) 9.111 8.269 ( 0.000 -1.741 -0.972) 1.994 8.269 ( 0.000 -1.741 0.972) 1.994 8.412 ( 0.000 -0.869 -6.532) 6.589 8.412 ( 0.000 -0.869 6.532) 6.589 8.660 ( 0.000 -0.653 -0.005) 0.653 8.660 ( 0.000 -0.653 0.005) 0.653 8.992 ( 0.000 17.200 -2.702) 17.411 8.992 ( 0.000 17.200 2.702) 17.411 9.677 ( 0.000 19.546 -2.999) 19.774 9.677 ( 0.000 19.546 2.999) 19.774 10.074 ( 0.000 6.470 -8.902) 11.005 10.074 ( 0.000 6.470 8.902) 11.005 10.132 ( 0.000 8.598 -0.951) 8.650 10.132 ( 0.000 8.598 0.951) 8.650 10.469 ( 0.000 0.356 -4.184) 4.199 10.469 ( 0.000 0.356 4.184) 4.199 10.824 ( 0.000 -4.162 -4.691) 6.271 10.824 ( 0.000 -4.162 4.691) 6.271 11.172 ( 0.000 7.732 -9.626) 12.347 11.172 ( 0.000 7.732 9.626) 12.347 11.265 ( 0.000 1.781 -3.772) 4.171 11.265 ( 0.000 1.781 3.772) 4.171 11.951 ( 0.000 7.544 -0.698) 7.576 11.951 ( 0.000 7.544 0.698) 7.576 12.332 ( 0.000 -9.476 -0.852) 9.514 12.332 ( 0.000 -9.476 0.852) 9.514 12.812 ( 0.000 0.653 -2.116) 2.215 12.812 ( 0.000 0.653 2.116) 2.215 12.898 ( 0.000 -1.858 -8.902) 9.094 12.898 ( 0.000 -1.858 8.902) 9.094 13.421 ( 0.000 5.515 -3.596) 6.584 13.421 ( 0.000 5.515 3.596) 6.584 14.057 ( 0.000 -7.588 -4.979) 9.076 14.057 ( 0.000 -7.588 4.979) 9.076 14.201 ( 0.000 -11.339 -1.634) 11.456 14.201 ( 0.000 -11.339 1.634) 11.456 16.228 ( 0.000 -0.955 -1.467) 1.751 16.228 ( 0.000 -0.955 1.467) 1.751 16.517 ( 0.000 -1.544 -3.258) 3.606 16.517 ( 0.000 -1.544 3.258) 3.606 17.655 ( 0.000 -14.290 -4.096) 14.865 17.655 ( 0.000 -14.290 4.096) 14.865 17.979 ( 0.000 -20.324 -2.065) 20.429 17.979 ( 0.000 -20.324 2.065) 20.429 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.611 ( 9.487 12.459 -12.850) 20.257 1.611 ( 9.487 12.459 12.850) 20.257 1.802 ( 6.547 15.878 -16.582) 23.873 1.802 ( 6.547 15.878 16.582) 23.873 2.392 ( -9.281 5.521 -6.819) 12.772 2.392 ( -9.281 5.521 6.819) 12.772 2.563 ( -6.972 9.894 -6.227) 13.611 2.563 ( -6.972 9.894 6.227) 13.611 2.785 ( 5.610 11.864 -5.882) 14.381 2.785 ( 5.610 11.864 5.882) 14.381 2.922 ( 4.815 16.652 -3.653) 17.715 2.922 ( 4.815 16.652 3.653) 17.715 3.025 ( 2.787 19.725 -10.371) 22.459 3.025 ( 2.787 19.725 10.371) 22.459 3.207 ( 4.626 21.790 -3.504) 22.550 3.207 ( 4.626 21.790 3.504) 22.550 3.316 ( 2.059 25.567 -8.027) 26.876 3.316 ( 2.059 25.567 8.027) 26.876 3.446 ( 3.498 22.014 -1.838) 22.366 3.446 ( 3.498 22.014 1.838) 22.366 3.758 ( -1.770 21.159 -5.658) 21.973 3.758 ( -1.770 21.159 5.658) 21.973 3.874 ( -6.156 7.096 -8.090) 12.397 3.874 ( -6.156 7.096 8.090) 12.397 4.189 ( -2.678 4.748 -9.144) 10.646 4.189 ( -2.678 4.748 9.144) 10.646 4.445 ( -12.897 1.911 -14.378) 19.409 4.445 ( -12.897 1.911 14.378) 19.409 5.027 ( 3.223 -2.682 -4.167) 5.911 5.027 ( 3.223 -2.682 4.167) 5.911 5.214 ( 3.252 -3.818 -6.636) 8.318 5.214 ( 3.252 -3.818 6.636) 8.318 5.559 ( -4.493 -4.626 -1.432) 6.606 5.559 ( -4.493 -4.626 1.432) 6.606 5.857 ( 2.288 -2.436 -3.115) 4.568 5.857 ( 2.288 -2.436 3.115) 4.568 6.231 ( 6.754 0.155 -4.653) 8.203 6.231 ( 6.754 0.155 4.653) 8.203 6.803 ( -3.512 -8.352 -5.787) 10.751 6.803 ( -3.512 -8.352 5.787) 10.751 8.282 ( -0.300 -0.807 -1.991) 2.169 8.282 ( -0.300 -0.807 1.991) 2.169 8.409 ( 1.739 -2.785 -4.496) 5.567 8.409 ( 1.739 -2.785 4.496) 5.567 8.719 ( 4.310 2.971 -0.120) 5.236 8.719 ( 4.310 2.971 0.120) 5.236 8.984 ( -1.006 15.488 -2.454) 15.713 8.984 ( -1.006 15.488 2.454) 15.713 9.706 ( 2.740 19.075 -2.375) 19.417 9.706 ( 2.740 19.075 2.375) 19.417 10.026 ( -1.999 6.164 -3.071) 7.171 10.026 ( -1.999 6.164 3.071) 7.171 10.220 ( 5.595 10.503 -6.131) 13.387 10.220 ( 5.595 10.503 6.131) 13.387 10.488 ( 1.469 -0.547 -3.876) 4.181 10.488 ( 1.469 -0.547 3.876) 4.181 10.746 ( -4.210 -1.140 -1.191) 4.522 10.746 ( -4.210 -1.140 1.191) 4.522 11.235 ( -1.946 1.021 -3.658) 4.268 11.235 ( -1.946 1.021 3.658) 4.268 11.343 ( 13.268 3.474 -3.588) 14.177 11.343 ( 13.268 3.474 3.588) 14.177 11.880 ( -6.590 4.942 -1.707) 8.412 11.880 ( -6.590 4.942 1.707) 8.412 12.314 ( -1.808 -8.886 -0.835) 9.107 12.314 ( -1.808 -8.886 0.835) 9.107 12.708 ( -12.333 -0.429 -7.360) 14.369 12.708 ( -12.333 -0.429 7.360) 14.369 12.866 ( -1.144 1.447 -5.242) 5.557 12.866 ( -1.144 1.447 5.242) 5.557 13.396 ( -0.410 6.972 -1.586) 7.162 13.396 ( -0.410 6.972 1.586) 7.162 14.012 ( -2.924 -8.362 -2.841) 9.303 14.012 ( -2.924 -8.362 2.841) 9.303 14.255 ( 3.240 -11.088 -0.974) 11.592 14.255 ( 3.240 -11.088 0.974) 11.592 16.260 ( 3.181 -1.430 -1.816) 3.932 16.260 ( 3.181 -1.430 1.816) 3.932 16.558 ( 3.156 -2.129 -3.710) 5.316 16.558 ( 3.156 -2.129 3.710) 5.316 17.643 ( -1.314 -14.472 -3.816) 15.024 17.643 ( -1.314 -14.472 3.816) 15.024 17.937 ( -3.376 -18.515 -2.010) 18.927 17.937 ( -3.376 -18.515 2.010) 18.927 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.852 ( 12.644 9.822 -9.681) 18.710 1.852 ( 12.644 9.822 9.681) 18.710 1.970 ( 7.836 10.647 -15.791) 20.594 1.970 ( 7.836 10.647 15.791) 20.594 2.180 ( -10.020 8.608 -8.347) 15.626 2.180 ( -10.020 8.608 8.347) 15.626 2.362 ( -10.516 14.555 -8.566) 19.895 2.362 ( -10.516 14.555 8.566) 19.895 2.901 ( 4.631 20.943 -3.549) 21.740 2.901 ( 4.631 20.943 3.549) 21.740 3.010 ( 2.948 14.314 -3.661) 15.066 3.010 ( 2.948 14.314 3.661) 15.066 3.061 ( -0.035 11.936 -2.143) 12.127 3.061 ( -0.035 11.936 2.143) 12.127 3.335 ( 6.457 15.525 -3.170) 17.110 3.335 ( 6.457 15.525 3.170) 17.110 3.381 ( 2.275 21.593 -9.381) 23.653 3.381 ( 2.275 21.593 9.381) 23.653 3.480 ( -0.617 16.725 -3.763) 17.154 3.480 ( -0.617 16.725 3.763) 17.154 3.758 ( 2.929 23.059 -0.610) 23.252 3.758 ( 2.929 23.059 0.610) 23.252 3.774 ( -2.765 14.538 -2.578) 15.021 3.774 ( -2.765 14.538 2.578) 15.021 4.064 ( -7.551 10.435 -5.962) 14.193 4.064 ( -7.551 10.435 5.962) 14.193 4.220 ( -7.486 0.768 -8.290) 11.196 4.220 ( -7.486 0.768 8.290) 11.196 5.078 ( 2.227 -1.149 -3.142) 4.019 5.078 ( 2.227 -1.149 3.142) 4.019 5.224 ( -1.924 -4.005 -1.725) 4.766 5.224 ( -1.924 -4.005 1.725) 4.766 5.535 ( 1.016 -6.163 -1.431) 6.408 5.535 ( 1.016 -6.163 1.431) 6.408 5.883 ( 0.431 -4.937 -1.727) 5.248 5.883 ( 0.431 -4.937 1.727) 5.248 6.385 ( 6.591 0.732 -4.424) 7.972 6.385 ( 6.591 0.732 4.424) 7.972 6.709 ( -4.689 -8.075 -5.248) 10.711 6.709 ( -4.689 -8.075 5.248) 10.711 8.258 ( -1.043 -2.633 -0.621) 2.899 8.258 ( -1.043 -2.633 0.621) 2.899 8.468 ( 2.318 0.557 -1.695) 2.925 8.468 ( 2.318 0.557 1.695) 2.925 8.788 ( 2.033 6.479 -0.522) 6.810 8.788 ( 2.033 6.479 0.522) 6.810 8.956 ( -1.265 12.144 -1.144) 12.263 8.956 ( -1.265 12.144 1.144) 12.263 9.776 ( 3.297 17.120 -1.490) 17.499 9.776 ( 3.297 17.120 1.490) 17.499 9.982 ( -2.431 13.312 -0.937) 13.565 9.982 ( -2.431 13.312 0.937) 13.565 10.340 ( 6.082 4.053 -3.622) 8.157 10.340 ( 6.082 4.053 3.622) 8.157 10.463 ( -4.463 -0.043 -1.315) 4.653 10.463 ( -4.463 -0.043 1.315) 4.653 10.757 ( 3.996 2.347 -1.434) 4.851 10.757 ( 3.996 2.347 1.434) 4.851 11.194 ( -1.514 -2.159 -1.701) 3.138 11.194 ( -1.514 -2.159 1.701) 3.138 11.623 ( 10.925 0.786 -4.307) 11.769 11.623 ( 10.925 0.786 4.307) 11.769 11.734 ( -5.044 -0.135 -2.387) 5.582 11.734 ( -5.044 -0.135 2.387) 5.582 12.264 ( -3.555 -4.265 -3.743) 6.697 12.264 ( -3.555 -4.265 3.743) 6.697 12.402 ( -11.920 0.263 -4.720) 12.823 12.402 ( -11.920 0.263 4.720) 12.823 12.866 ( 0.429 2.868 -1.656) 3.340 12.866 ( 0.429 2.868 1.656) 3.340 13.415 ( 1.190 7.737 -0.426) 7.840 13.415 ( 1.190 7.737 0.426) 7.840 13.966 ( -1.364 -8.541 -0.881) 8.695 13.966 ( -1.364 -8.541 0.881) 8.695 14.297 ( 0.943 -11.537 -0.471) 11.585 14.297 ( 0.943 -11.537 0.471) 11.585 16.332 ( 2.758 -2.542 -1.073) 3.901 16.332 ( 2.758 -2.542 1.073) 3.901 16.606 ( 1.161 -2.441 -2.014) 3.371 16.606 ( 1.161 -2.441 2.014) 3.371 17.609 ( -1.406 -14.770 -1.754) 14.940 17.609 ( -1.406 -14.770 1.754) 14.940 17.882 ( -1.494 -15.946 -0.844) 16.038 17.882 ( -1.494 -15.946 0.844) 16.038 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.792 ( 0.000 14.135 -4.478) 14.827 1.792 ( 0.000 14.135 4.478) 14.827 2.101 ( 0.000 18.379 -6.919) 19.638 2.101 ( 0.000 18.379 6.919) 19.638 2.609 ( 0.000 4.931 -1.872) 5.274 2.609 ( 0.000 4.931 1.872) 5.274 2.670 ( 0.000 1.633 -5.045) 5.303 2.670 ( 0.000 1.633 5.045) 5.303 2.783 ( 0.000 5.004 -5.638) 7.539 2.783 ( 0.000 5.004 5.638) 7.539 3.347 ( 0.000 17.130 -4.686) 17.760 3.347 ( 0.000 17.130 4.686) 17.760 3.513 ( 0.000 20.041 -3.108) 20.281 3.513 ( 0.000 20.041 3.108) 20.281 3.580 ( 0.000 18.933 -3.328) 19.223 3.580 ( 0.000 18.933 3.328) 19.223 3.790 ( 0.000 23.545 -3.149) 23.754 3.790 ( 0.000 23.545 3.149) 23.754 3.886 ( 0.000 25.909 -0.629) 25.917 3.886 ( 0.000 25.909 0.629) 25.917 4.070 ( 0.000 10.698 -0.060) 10.698 4.070 ( 0.000 10.698 0.060) 10.698 4.203 ( 0.000 13.890 -4.309) 14.543 4.203 ( 0.000 13.890 4.309) 14.543 4.397 ( 0.000 17.910 -4.975) 18.588 4.397 ( 0.000 17.910 4.975) 18.588 4.689 ( 0.000 9.214 -9.988) 13.589 4.689 ( 0.000 9.214 9.988) 13.589 4.961 ( 0.000 2.951 -3.659) 4.701 4.961 ( 0.000 2.951 3.659) 4.701 5.061 ( 0.000 -5.208 -0.289) 5.216 5.061 ( 0.000 -5.208 0.289) 5.216 5.585 ( 0.000 -1.591 -4.190) 4.482 5.585 ( 0.000 -1.591 4.190) 4.482 5.799 ( 0.000 -0.506 -5.334) 5.358 5.799 ( 0.000 -0.506 5.334) 5.358 6.170 ( 0.000 1.498 -0.055) 1.499 6.170 ( 0.000 1.498 0.055) 1.499 6.705 ( 0.000 -4.453 -0.248) 4.460 6.705 ( 0.000 -4.453 0.248) 4.460 8.195 ( 0.000 -4.014 -4.027) 5.686 8.195 ( 0.000 -4.014 4.027) 5.686 8.383 ( 0.000 -2.861 -6.465) 7.070 8.383 ( 0.000 -2.861 6.465) 7.070 8.675 ( 0.000 2.397 -1.444) 2.799 8.675 ( 0.000 2.397 1.444) 2.799 9.265 ( 0.000 9.466 -0.733) 9.494 9.265 ( 0.000 9.466 0.733) 9.494 9.956 ( 0.000 5.930 -1.139) 6.038 9.956 ( 0.000 5.930 1.139) 6.038 10.188 ( 0.000 4.156 -9.505) 10.374 10.188 ( 0.000 4.156 9.505) 10.374 10.238 ( 0.000 4.229 -6.990) 8.170 10.238 ( 0.000 4.229 6.990) 8.170 10.563 ( 0.000 6.376 -2.655) 6.907 10.563 ( 0.000 6.376 2.655) 6.907 10.683 ( 0.000 -5.673 -2.375) 6.150 10.683 ( 0.000 -5.673 2.375) 6.150 11.337 ( 0.000 10.462 -3.161) 10.929 11.337 ( 0.000 10.462 3.161) 10.929 11.476 ( 0.000 15.831 -4.401) 16.431 11.476 ( 0.000 15.831 4.401) 16.431 12.059 ( 0.000 3.644 -1.774) 4.053 12.059 ( 0.000 3.644 1.774) 4.053 12.247 ( 0.000 0.192 -0.043) 0.197 12.247 ( 0.000 0.192 0.043) 0.197 12.804 ( 0.000 -5.815 -11.543) 12.925 12.804 ( 0.000 -5.815 11.543) 12.925 12.867 ( 0.000 2.420 -5.122) 5.665 12.867 ( 0.000 2.420 5.122) 5.665 13.474 ( 0.000 -0.749 -1.496) 1.673 13.474 ( 0.000 -0.749 1.496) 1.673 13.875 ( 0.000 -8.700 -6.224) 10.697 13.875 ( 0.000 -8.700 6.224) 10.697 13.959 ( 0.000 -13.341 -1.781) 13.459 13.959 ( 0.000 -13.341 1.781) 13.459 16.163 ( 0.000 -4.799 -2.277) 5.312 16.163 ( 0.000 -4.799 2.277) 5.312 16.486 ( 0.000 -1.518 -4.720) 4.958 16.486 ( 0.000 -1.518 4.720) 4.958 17.346 ( 0.000 -16.059 -2.115) 16.198 17.346 ( 0.000 -16.059 2.115) 16.198 17.559 ( 0.000 -21.503 -2.184) 21.613 17.559 ( 0.000 -21.503 2.184) 21.613 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.866 ( 7.022 12.813 -5.132) 15.486 1.866 ( 7.022 12.813 5.132) 15.486 2.126 ( 2.568 16.339 -8.916) 18.790 2.126 ( 2.568 16.339 8.916) 18.790 2.517 ( -6.637 7.027 -3.973) 10.451 2.517 ( -6.637 7.027 3.973) 10.451 2.687 ( -1.207 4.178 -5.018) 6.640 2.687 ( -1.207 4.178 5.018) 6.640 2.872 ( 7.634 3.269 -6.053) 10.277 2.872 ( 7.634 3.269 6.053) 10.277 3.308 ( -1.754 12.871 -3.692) 13.505 3.308 ( -1.754 12.871 3.692) 13.505 3.494 ( -1.366 22.731 -1.896) 22.851 3.494 ( -1.366 22.731 1.896) 22.851 3.594 ( -0.129 14.705 -3.941) 15.224 3.594 ( -0.129 14.705 3.941) 15.224 3.789 ( -0.625 20.287 -1.004) 20.321 3.789 ( -0.625 20.287 1.004) 20.321 3.891 ( -0.303 23.485 -3.380) 23.729 3.891 ( -0.303 23.485 3.380) 23.729 4.062 ( 0.563 15.014 -5.314) 15.937 4.062 ( 0.563 15.014 5.314) 15.937 4.194 ( 0.158 16.865 -4.570) 17.474 4.194 ( 0.158 16.865 4.570) 17.474 4.379 ( -2.492 15.974 -7.682) 17.899 4.379 ( -2.492 15.974 7.682) 17.899 4.621 ( -4.960 17.350 -7.883) 19.692 4.621 ( -4.960 17.350 7.883) 19.692 4.976 ( 1.901 -1.787 -1.399) 2.961 4.976 ( 1.901 -1.787 1.399) 2.961 5.149 ( 5.674 -2.069 -4.042) 7.267 5.149 ( 5.674 -2.069 4.042) 7.267 5.483 ( -6.996 -2.052 -3.388) 8.039 5.483 ( -6.996 -2.052 3.388) 8.039 5.811 ( 0.034 -1.820 -4.713) 5.052 5.811 ( 0.034 -1.820 4.713) 5.052 6.249 ( 6.949 1.283 -2.478) 7.489 6.249 ( 6.949 1.283 2.478) 7.489 6.673 ( -3.173 -4.310 -4.097) 6.740 6.673 ( -3.173 -4.310 4.097) 6.740 8.224 ( 0.812 -3.838 -3.128) 5.017 8.224 ( 0.812 -3.838 3.128) 5.017 8.354 ( 0.308 -2.942 -4.784) 5.625 8.354 ( 0.308 -2.942 4.784) 5.625 8.770 ( 6.881 2.537 -2.328) 7.694 8.770 ( 6.881 2.537 2.328) 7.694 9.226 ( -3.698 8.017 -0.732) 8.859 9.226 ( -3.698 8.017 0.732) 8.859 9.975 ( 2.580 5.603 -0.705) 6.209 9.975 ( 2.580 5.603 0.705) 6.209 10.154 ( 0.197 7.775 -7.224) 10.615 10.154 ( 0.197 7.775 7.224) 10.615 10.377 ( 7.979 2.600 -3.842) 9.230 10.377 ( 7.979 2.600 3.842) 9.230 10.561 ( 0.145 7.148 -4.795) 8.609 10.561 ( 0.145 7.148 4.795) 8.609 10.669 ( -0.389 -3.014 -3.825) 4.886 10.669 ( -0.389 -3.014 3.825) 4.886 11.293 ( -5.124 5.854 -3.573) 8.561 11.293 ( -5.124 5.854 3.573) 8.561 11.540 ( 7.270 14.115 -3.790) 16.323 11.540 ( 7.270 14.115 3.790) 16.323 11.943 ( -10.699 1.568 -1.414) 10.906 11.943 ( -10.699 1.568 1.414) 10.906 12.239 ( -0.363 0.765 -1.498) 1.721 12.239 ( -0.363 0.765 1.498) 1.721 12.702 ( -8.661 -0.989 -8.605) 12.249 12.702 ( -8.661 -0.989 8.605) 12.249 12.914 ( 2.019 3.752 -5.644) 7.071 12.914 ( 2.019 3.752 5.644) 7.071 13.468 ( 0.919 -1.101 -1.530) 2.098 13.468 ( 0.919 -1.101 1.530) 2.098 13.815 ( -3.972 -9.553 -4.219) 11.172 13.815 ( -3.972 -9.553 4.219) 11.172 14.002 ( 2.009 -14.035 -1.564) 14.264 14.002 ( 2.009 -14.035 1.564) 14.264 16.192 ( 2.704 -4.874 -2.036) 5.934 16.192 ( 2.704 -4.874 2.036) 5.934 16.514 ( 2.273 -2.203 -4.374) 5.399 16.514 ( 2.273 -2.203 4.374) 5.399 17.331 ( -1.571 -16.146 -2.109) 16.358 17.331 ( -1.571 -16.146 2.109) 16.358 17.545 ( -0.965 -20.351 -1.533) 20.432 17.545 ( -0.965 -20.351 1.533) 20.432 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.048 ( 9.773 9.656 -4.476) 14.450 2.048 ( 9.773 9.656 4.476) 14.450 2.176 ( -0.183 10.032 -9.326) 13.698 2.176 ( -0.183 10.032 9.326) 13.698 2.389 ( -4.301 12.386 -5.392) 14.177 2.389 ( -4.301 12.386 5.392) 14.177 2.603 ( -5.104 9.956 -6.826) 13.106 2.603 ( -5.104 9.956 6.826) 13.106 3.030 ( 6.200 0.959 -5.282) 8.201 3.030 ( 6.200 0.959 5.282) 8.201 3.312 ( 0.422 8.026 -2.523) 8.424 3.312 ( 0.422 8.026 2.523) 8.424 3.458 ( -0.908 21.612 -2.117) 21.734 3.458 ( -0.908 21.612 2.117) 21.734 3.576 ( -1.103 8.826 -3.839) 9.688 3.576 ( -1.103 8.826 3.839) 9.688 3.777 ( 0.576 19.372 -1.842) 19.468 3.777 ( 0.576 19.372 1.842) 19.468 3.839 ( -4.423 18.110 -0.828) 18.661 3.839 ( -4.423 18.110 0.828) 18.661 4.099 ( 2.348 18.468 -1.213) 18.656 4.099 ( 2.348 18.468 1.213) 18.656 4.238 ( 1.956 15.403 -5.292) 16.404 4.238 ( 1.956 15.403 5.292) 16.404 4.341 ( 1.738 23.899 -6.013) 24.705 4.341 ( 1.738 23.899 6.013) 24.705 4.492 ( -7.703 25.526 -6.823) 27.522 4.492 ( -7.703 25.526 6.823) 27.522 5.052 ( 5.301 -1.026 -1.270) 5.546 5.052 ( 5.301 -1.026 1.270) 5.546 5.168 ( -4.295 -0.912 -0.832) 4.469 5.168 ( -4.295 -0.912 0.832) 4.469 5.416 ( 0.444 -4.687 -1.926) 5.086 5.416 ( 0.444 -4.687 1.926) 5.086 5.798 ( -0.828 -3.186 -2.468) 4.114 5.798 ( -0.828 -3.186 2.468) 4.114 6.409 ( 8.018 0.958 -4.226) 9.114 6.409 ( 8.018 0.958 4.226) 9.114 6.577 ( -6.077 -4.324 -5.275) 9.136 6.577 ( -6.077 -4.324 5.275) 9.136 8.202 ( -1.281 -2.774 -0.428) 3.085 8.202 ( -1.281 -2.774 0.428) 3.085 8.419 ( 3.366 -4.030 -1.522) 5.467 8.419 ( 3.366 -4.030 1.522) 5.467 8.875 ( 2.622 2.884 -1.847) 4.314 8.875 ( 2.622 2.884 1.847) 4.314 9.149 ( -2.668 6.374 -0.717) 6.947 9.149 ( -2.668 6.374 0.717) 6.947 10.048 ( 3.121 8.437 -1.860) 9.186 10.048 ( 3.121 8.437 1.860) 9.186 10.191 ( 2.415 6.827 -4.232) 8.387 10.191 ( 2.415 6.827 4.232) 8.387 10.441 ( -0.311 2.009 -1.345) 2.438 10.441 ( -0.311 2.009 1.345) 2.438 10.544 ( -2.280 10.848 -1.223) 11.152 10.544 ( -2.280 10.848 1.223) 11.152 10.764 ( 7.959 0.055 -1.058) 8.029 10.764 ( 7.959 0.055 1.058) 8.029 11.180 ( -4.475 0.168 -1.758) 4.811 11.180 ( -4.475 0.168 1.758) 4.811 11.671 ( -3.642 1.551 -1.518) 4.240 11.671 ( -3.642 1.551 1.518) 4.240 11.749 ( 1.406 4.547 -1.445) 4.974 11.749 ( 1.406 4.547 1.445) 4.974 12.259 ( 3.056 3.742 -3.423) 5.921 12.259 ( 3.056 3.742 3.423) 5.921 12.471 ( -11.738 5.734 -3.915) 13.638 12.471 ( -11.738 5.734 3.915) 13.638 12.944 ( 0.954 4.915 -1.862) 5.342 12.944 ( 0.954 4.915 1.862) 5.342 13.522 ( 3.028 1.830 -0.709) 3.608 13.522 ( 3.028 1.830 0.709) 3.608 13.741 ( -2.803 -12.908 -1.795) 13.330 13.741 ( -2.803 -12.908 1.795) 13.330 14.021 ( 0.175 -15.408 -0.608) 15.421 14.021 ( 0.175 -15.408 0.608) 15.421 16.249 ( 2.049 -5.498 -0.937) 5.942 16.249 ( 2.049 -5.498 0.937) 5.942 16.553 ( 1.148 -2.748 -2.062) 3.622 16.553 ( 1.148 -2.748 2.062) 3.622 17.293 ( -1.484 -16.279 -1.056) 16.380 17.293 ( -1.484 -16.279 1.056) 16.380 17.533 ( -0.243 -18.586 -0.395) 18.592 17.533 ( -0.243 -18.586 0.395) 18.592 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.062 ( 0.000 12.907 -1.979) 13.058 2.062 ( 0.000 12.907 1.979) 13.058 2.432 ( 0.000 13.681 -4.019) 14.259 2.432 ( 0.000 13.681 4.019) 14.259 2.696 ( 0.000 2.082 -3.036) 3.681 2.696 ( 0.000 2.082 3.036) 3.681 2.707 ( 0.000 4.875 -5.394) 7.270 2.707 ( 0.000 4.875 5.394) 7.270 2.935 ( 0.000 9.809 -4.323) 10.719 2.935 ( 0.000 9.809 4.323) 10.719 3.478 ( 0.000 0.112 -3.899) 3.901 3.478 ( 0.000 0.112 3.899) 3.901 3.745 ( 0.000 4.384 -4.839) 6.530 3.745 ( 0.000 4.384 4.839) 6.530 3.914 ( 0.000 12.353 -4.416) 13.118 3.914 ( 0.000 12.353 4.416) 13.118 4.112 ( 0.000 6.517 -9.305) 11.360 4.112 ( 0.000 6.517 9.305) 11.360 4.264 ( 0.000 3.072 -9.219) 9.718 4.264 ( 0.000 3.072 9.219) 9.718 4.305 ( 0.000 17.541 -4.870) 18.205 4.305 ( 0.000 17.541 4.870) 18.205 4.550 ( 0.000 23.993 -9.617) 25.849 4.550 ( 0.000 23.993 9.617) 25.849 4.779 ( 0.000 15.728 -8.727) 17.987 4.779 ( 0.000 15.728 8.727) 17.987 4.955 ( 0.000 8.159 -0.882) 8.207 4.955 ( 0.000 8.159 0.882) 8.207 5.007 ( 0.000 9.823 -2.785) 10.210 5.007 ( 0.000 9.823 2.785) 10.210 5.148 ( 0.000 15.259 -1.425) 15.325 5.148 ( 0.000 15.259 1.425) 15.325 5.632 ( 0.000 7.802 -2.063) 8.070 5.632 ( 0.000 7.802 2.063) 8.070 5.815 ( 0.000 2.995 -4.284) 5.227 5.815 ( 0.000 2.995 4.284) 5.227 6.210 ( 0.000 2.692 -0.083) 2.693 6.210 ( 0.000 2.692 0.083) 2.693 6.667 ( 0.000 0.292 -3.055) 3.069 6.667 ( 0.000 0.292 3.055) 3.069 8.142 ( 0.000 -1.032 -4.286) 4.409 8.142 ( 0.000 -1.032 4.286) 4.409 8.302 ( 0.000 -4.712 -7.096) 8.518 8.302 ( 0.000 -4.712 7.096) 8.518 8.750 ( 0.000 4.859 -1.638) 5.127 8.750 ( 0.000 4.859 1.638) 5.127 9.375 ( 0.000 2.095 -0.058) 2.096 9.375 ( 0.000 2.095 0.058) 2.096 9.962 ( 0.000 -1.621 -2.743) 3.187 9.962 ( 0.000 -1.621 2.743) 3.187 10.232 ( 0.000 -2.924 -7.582) 8.127 10.232 ( 0.000 -2.924 7.582) 8.127 10.265 ( 0.000 -0.762 -10.190) 10.218 10.265 ( 0.000 -0.762 10.190) 10.218 10.544 ( 0.000 1.009 -1.255) 1.610 10.544 ( 0.000 1.009 1.255) 1.610 10.836 ( 0.000 12.300 -3.593) 12.814 10.836 ( 0.000 12.300 3.593) 12.814 11.547 ( 0.000 8.823 -4.338) 9.832 11.547 ( 0.000 8.823 4.338) 9.832 11.793 ( 0.000 14.270 -1.956) 14.403 11.793 ( 0.000 14.270 1.956) 14.403 12.111 ( 0.000 1.976 -4.513) 4.927 12.111 ( 0.000 1.976 4.513) 4.927 12.296 ( 0.000 3.433 -0.802) 3.526 12.296 ( 0.000 3.433 0.802) 3.526 12.596 ( 0.000 -13.696 -7.912) 15.817 12.596 ( 0.000 -13.696 7.912) 15.817 12.954 ( 0.000 5.022 -0.665) 5.066 12.954 ( 0.000 5.022 0.665) 5.066 13.403 ( 0.000 -5.617 -3.445) 6.589 13.403 ( 0.000 -5.617 3.445) 6.589 13.667 ( 0.000 -13.896 -4.835) 14.713 13.667 ( 0.000 -13.896 4.835) 14.713 13.769 ( 0.000 -3.212 -1.484) 3.538 13.769 ( 0.000 -3.212 1.484) 3.538 16.064 ( 0.000 -4.629 -3.780) 5.976 16.064 ( 0.000 -4.629 3.780) 5.976 16.460 ( 0.000 -1.194 -5.278) 5.412 16.460 ( 0.000 -1.194 5.278) 5.412 17.048 ( 0.000 -13.300 -0.870) 13.329 17.048 ( 0.000 -13.300 0.870) 13.329 17.143 ( 0.000 -19.878 -2.748) 20.067 17.143 ( 0.000 -19.878 2.748) 20.067 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.111 ( 4.630 11.763 -1.703) 12.756 2.111 ( 4.630 11.763 1.703) 12.756 2.418 ( -1.377 11.905 -5.248) 13.083 2.418 ( -1.377 11.905 5.248) 13.083 2.661 ( -1.638 6.892 -1.139) 7.175 2.661 ( -1.638 6.892 1.139) 7.175 2.760 ( 2.481 3.928 -4.711) 6.617 2.760 ( 2.481 3.928 4.711) 6.617 2.973 ( 3.616 7.324 -4.951) 9.551 2.973 ( 3.616 7.324 4.951) 9.551 3.422 ( -3.652 0.979 -5.577) 6.738 3.422 ( -3.652 0.979 5.577) 6.738 3.699 ( -4.305 3.205 -3.571) 6.446 3.699 ( -4.305 3.205 3.571) 6.446 3.888 ( -3.215 9.244 -4.578) 10.805 3.888 ( -3.215 9.244 4.578) 10.805 4.104 ( -0.854 9.071 -7.227) 11.630 4.104 ( -0.854 9.071 7.227) 11.630 4.260 ( -0.929 14.001 -6.906) 15.639 4.260 ( -0.929 14.001 6.906) 15.639 4.316 ( 2.275 9.742 -3.855) 10.721 4.316 ( 2.275 9.742 3.855) 10.721 4.570 ( 0.954 20.727 -8.931) 22.589 4.570 ( 0.954 20.727 8.931) 22.589 4.793 ( 1.526 19.211 -5.840) 20.137 4.793 ( 1.526 19.211 5.840) 20.137 4.967 ( -1.175 5.376 -2.026) 5.864 4.967 ( -1.175 5.376 2.026) 5.864 5.000 ( 3.232 14.361 -2.150) 14.876 5.000 ( 3.232 14.361 2.150) 14.876 5.210 ( 3.470 10.342 -3.682) 11.514 5.210 ( 3.470 10.342 3.682) 11.514 5.544 ( -6.473 10.110 -4.402) 12.787 5.544 ( -6.473 10.110 4.402) 12.787 5.814 ( -0.787 3.122 -4.141) 5.245 5.814 ( -0.787 3.122 4.141) 5.245 6.274 ( 5.567 1.535 -0.171) 5.777 6.274 ( 5.567 1.535 0.171) 5.777 6.640 ( -2.649 0.562 -3.315) 4.281 6.640 ( -2.649 0.562 3.315) 4.281 8.161 ( 0.705 -2.083 -3.161) 3.850 8.161 ( 0.705 -2.083 3.161) 3.850 8.292 ( 0.682 -3.006 -5.330) 6.157 8.292 ( 0.682 -3.006 5.330) 6.157 8.829 ( 6.152 3.551 -3.333) 7.847 8.829 ( 6.152 3.551 3.333) 7.847 9.322 ( -4.580 2.559 -1.387) 5.426 9.322 ( -4.580 2.559 1.387) 5.426 9.999 ( 4.173 -0.945 -3.917) 5.801 9.999 ( 4.173 -0.945 3.917) 5.801 10.232 ( 0.253 -1.062 -5.375) 5.484 10.232 ( 0.253 -1.062 5.375) 5.484 10.365 ( 7.319 -3.640 -9.664) 12.657 10.365 ( 7.319 -3.640 9.664) 12.657 10.577 ( 4.299 2.641 -1.759) 5.343 10.577 ( 4.299 2.641 1.759) 5.343 10.840 ( 0.148 12.022 -3.924) 12.647 10.840 ( 0.148 12.022 3.924) 12.647 11.416 ( -11.673 4.625 -3.105) 12.934 11.416 ( -11.673 4.625 3.105) 12.934 11.818 ( 2.549 11.883 -1.459) 12.240 11.818 ( 2.549 11.883 1.459) 12.240 11.961 ( -12.951 0.913 -2.890) 13.301 11.961 ( -12.951 0.913 2.890) 13.301 12.313 ( 2.029 5.718 -4.355) 7.468 12.313 ( 2.029 5.718 4.355) 7.468 12.635 ( 1.779 -6.243 -7.075) 9.602 12.635 ( 1.779 -6.243 7.075) 9.602 13.014 ( 4.110 5.656 -1.311) 7.113 13.014 ( 4.110 5.656 1.311) 7.113 13.350 ( -2.876 -8.242 -0.275) 8.734 13.350 ( -2.876 -8.242 0.275) 8.734 13.635 ( -3.404 -12.206 -3.135) 13.054 13.635 ( -3.404 -12.206 3.135) 13.054 13.771 ( 0.008 -5.591 -1.419) 5.769 13.771 ( 0.008 -5.591 1.419) 5.769 16.090 ( 2.260 -4.886 -3.122) 6.223 16.090 ( 2.260 -4.886 3.122) 6.223 16.473 ( 1.204 -2.034 -4.664) 5.228 16.473 ( 1.204 -2.034 4.664) 5.228 17.032 ( -1.728 -13.308 -0.734) 13.439 17.032 ( -1.728 -13.308 0.734) 13.439 17.150 ( 0.883 -18.819 -1.472) 18.897 17.150 ( 0.883 -18.819 1.472) 18.897 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.232 ( 6.686 8.881 -1.138) 11.174 2.232 ( 6.686 8.881 1.138) 11.174 2.361 ( -4.595 8.515 -3.984) 10.464 2.361 ( -4.595 8.515 3.984) 10.464 2.649 ( 0.554 12.708 -2.603) 12.984 2.649 ( 0.554 12.708 2.603) 12.984 2.770 ( -0.989 6.966 -5.281) 8.798 2.770 ( -0.989 6.966 5.281) 8.798 3.051 ( 2.884 1.928 -3.172) 4.700 3.051 ( 2.884 1.928 3.172) 4.700 3.383 ( -0.586 1.294 -2.193) 2.613 3.383 ( -0.586 1.294 2.193) 2.613 3.636 ( -0.121 2.920 -3.540) 4.590 3.636 ( -0.121 2.920 3.540) 4.590 3.777 ( -6.364 4.677 -4.987) 9.341 3.777 ( -6.364 4.677 4.987) 9.341 4.096 ( 0.136 13.571 -2.747) 13.847 4.096 ( 0.136 13.571 2.747) 13.847 4.230 ( -1.273 20.287 -2.881) 20.530 4.230 ( -1.273 20.287 2.881) 20.530 4.390 ( 3.585 6.759 -5.083) 9.185 4.390 ( 3.585 6.759 5.083) 9.185 4.552 ( -2.136 15.300 -5.582) 16.425 4.552 ( -2.136 15.300 5.582) 16.425 4.858 ( 4.642 21.785 -4.325) 22.690 4.858 ( 4.642 21.785 4.325) 22.690 4.939 ( -2.531 16.812 -3.219) 17.303 4.939 ( -2.531 16.812 3.219) 17.303 5.093 ( 5.609 6.957 -3.953) 9.772 5.093 ( 5.609 6.957 3.953) 9.772 5.206 ( -4.327 5.210 -3.624) 7.682 5.206 ( -4.327 5.210 3.624) 7.682 5.461 ( -1.069 13.143 -2.596) 13.439 5.461 ( -1.069 13.143 2.596) 13.439 5.789 ( -1.078 3.565 -1.940) 4.200 5.789 ( -1.078 3.565 1.940) 4.200 6.395 ( 5.304 -1.350 -0.975) 5.559 6.395 ( 5.304 -1.350 0.975) 5.559 6.567 ( -3.876 2.307 -2.453) 5.135 6.567 ( -3.876 2.307 2.453) 5.135 8.152 ( -0.744 -2.167 -0.598) 2.368 8.152 ( -0.744 -2.167 0.598) 2.368 8.342 ( 2.522 -3.115 -1.734) 4.367 8.342 ( 2.522 -3.115 1.734) 4.367 8.929 ( 2.818 3.173 -3.443) 5.465 8.929 ( 2.818 3.173 3.443) 5.465 9.233 ( -3.023 2.973 -2.363) 4.854 9.233 ( -3.023 2.973 2.363) 4.854 10.121 ( 6.811 -0.629 -5.671) 8.885 10.121 ( 6.811 -0.629 5.671) 8.885 10.220 ( -2.321 -1.767 -6.117) 6.777 10.220 ( -2.321 -1.767 6.117) 6.777 10.470 ( 3.123 0.142 -3.710) 4.852 10.470 ( 3.123 0.142 3.710) 4.852 10.719 ( 4.925 4.691 -5.972) 9.051 10.719 ( 4.925 4.691 5.972) 9.051 10.851 ( 3.082 8.658 -3.927) 9.994 10.851 ( 3.082 8.658 3.927) 9.994 11.179 ( -9.084 -0.496 -1.589) 9.235 11.179 ( -9.084 -0.496 1.589) 9.235 11.668 ( -10.749 0.087 -2.123) 10.957 11.668 ( -10.749 0.087 2.123) 10.957 11.896 ( 2.393 7.297 -0.755) 7.716 11.896 ( 2.393 7.297 0.755) 7.716 12.385 ( 4.534 7.803 -4.215) 9.960 12.385 ( 4.534 7.803 4.215) 9.960 12.599 ( -4.623 6.017 -3.348) 8.294 12.599 ( -4.623 6.017 3.348) 8.294 13.059 ( 0.591 6.425 -1.307) 6.584 13.059 ( 0.591 6.425 1.307) 6.584 13.376 ( 4.886 -13.952 -1.728) 14.884 13.376 ( 4.886 -13.952 1.728) 14.884 13.536 ( -5.710 -11.181 -1.668) 12.665 13.536 ( -5.710 -11.181 1.668) 12.665 13.768 ( -0.178 -6.989 -0.638) 7.021 13.768 ( -0.178 -6.989 0.638) 7.021 16.133 ( 1.441 -5.608 -1.250) 5.924 16.133 ( 1.441 -5.608 1.250) 5.924 16.498 ( 0.886 -2.987 -2.056) 3.733 16.498 ( 0.886 -2.987 2.056) 3.733 16.992 ( -1.509 -13.377 -0.555) 13.474 16.992 ( -1.509 -13.377 0.555) 13.474 17.170 ( 0.748 -17.160 -0.255) 17.178 17.170 ( 0.748 -17.160 0.255) 17.178 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.303 ( 0.000 11.359 -1.373) 11.442 2.303 ( 0.000 11.359 1.373) 11.442 2.603 ( 0.000 4.385 -0.860) 4.469 2.603 ( 0.000 4.385 0.860) 4.469 2.716 ( 0.000 0.717 -2.012) 2.135 2.716 ( 0.000 0.717 2.012) 2.135 2.874 ( 0.000 9.743 -1.651) 9.882 2.874 ( 0.000 9.743 1.651) 9.882 3.148 ( 0.000 11.168 -5.300) 12.362 3.148 ( 0.000 11.168 5.300) 12.362 3.446 ( 0.000 -1.948 -3.225) 3.767 3.446 ( 0.000 -1.948 3.225) 3.767 3.774 ( 0.000 -0.393 -3.810) 3.830 3.774 ( 0.000 -0.393 3.810) 3.830 4.003 ( 0.000 -1.954 -3.195) 3.745 4.003 ( 0.000 -1.954 3.195) 3.745 4.130 ( 0.000 -3.490 -8.309) 9.012 4.130 ( 0.000 -3.490 8.309) 9.012 4.287 ( 0.000 0.015 -2.719) 2.719 4.287 ( 0.000 0.015 2.719) 2.719 4.532 ( 0.000 4.278 -3.483) 5.516 4.532 ( 0.000 4.278 3.483) 5.516 4.888 ( 0.000 10.837 -6.485) 12.630 4.888 ( 0.000 10.837 6.485) 12.630 4.933 ( 0.000 -1.131 -1.253) 1.688 4.933 ( 0.000 -1.131 1.253) 1.688 5.132 ( 0.000 18.176 -1.386) 18.228 5.132 ( 0.000 18.176 1.386) 18.228 5.403 ( 0.000 18.538 -3.433) 18.853 5.403 ( 0.000 18.538 3.433) 18.853 5.507 ( 0.000 20.469 -6.523) 21.483 5.507 ( 0.000 20.469 6.523) 21.483 5.881 ( 0.000 14.029 -3.215) 14.393 5.881 ( 0.000 14.029 3.215) 14.393 5.938 ( 0.000 9.754 -3.825) 10.477 5.938 ( 0.000 9.754 3.825) 10.477 6.299 ( 0.000 6.775 -1.813) 7.014 6.299 ( 0.000 6.775 1.813) 7.014 6.687 ( 0.000 0.945 -4.139) 4.246 6.687 ( 0.000 0.945 4.139) 4.246 8.153 ( 0.000 1.510 -3.936) 4.216 8.153 ( 0.000 1.510 3.936) 4.216 8.226 ( 0.000 -1.991 -6.661) 6.952 8.226 ( 0.000 -1.991 6.661) 6.952 8.858 ( 0.000 5.743 -1.809) 6.021 8.858 ( 0.000 5.743 1.809) 6.021 9.369 ( 0.000 -2.254 -0.558) 2.322 9.369 ( 0.000 -2.254 0.558) 2.322 9.962 ( 0.000 1.563 -6.699) 6.878 9.962 ( 0.000 1.563 6.699) 6.878 10.139 ( 0.000 -4.801 -3.459) 5.918 10.139 ( 0.000 -4.801 3.459) 5.918 10.218 ( 0.000 -1.931 -6.756) 7.026 10.218 ( 0.000 -1.931 6.756) 7.026 10.633 ( 0.000 5.852 -1.960) 6.172 10.633 ( 0.000 5.852 1.960) 6.172 11.054 ( 0.000 9.081 -5.719) 10.731 11.054 ( 0.000 9.081 5.719) 10.731 11.634 ( 0.000 -0.932 -4.840) 4.929 11.634 ( 0.000 -0.932 4.840) 4.929 11.972 ( 0.000 1.755 -3.382) 3.810 11.972 ( 0.000 1.755 3.382) 3.810 12.157 ( 0.000 2.961 -7.332) 7.907 12.157 ( 0.000 2.961 7.332) 7.907 12.204 ( 0.000 -12.717 -4.221) 13.399 12.204 ( 0.000 -12.717 4.221) 13.399 12.482 ( 0.000 4.813 -1.176) 4.955 12.482 ( 0.000 4.813 1.176) 4.955 12.980 ( 0.000 -6.267 -2.595) 6.783 12.980 ( 0.000 -6.267 2.595) 6.783 13.260 ( 0.000 -5.775 -0.766) 5.825 13.260 ( 0.000 -5.775 0.766) 5.825 13.503 ( 0.000 -1.667 -1.063) 1.977 13.503 ( 0.000 -1.667 1.063) 1.977 13.729 ( 0.000 -1.273 -4.388) 4.569 13.729 ( 0.000 -1.273 4.388) 4.569 15.996 ( 0.000 -1.960 -4.751) 5.140 15.996 ( 0.000 -1.960 4.751) 5.140 16.433 ( 0.000 -1.808 -5.716) 5.995 16.433 ( 0.000 -1.808 5.716) 5.995 16.772 ( 0.000 -15.570 -0.819) 15.591 16.772 ( 0.000 -15.570 0.819) 15.591 16.853 ( 0.000 -7.468 -3.276) 8.154 16.853 ( 0.000 -7.468 3.276) 8.154 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.331 ( 2.643 10.419 -0.794) 10.778 2.331 ( 2.643 10.419 0.794) 10.778 2.581 ( -2.408 5.156 -2.204) 6.102 2.581 ( -2.408 5.156 2.204) 6.102 2.740 ( 2.647 1.409 -3.131) 4.335 2.740 ( 2.647 1.409 3.131) 4.335 2.887 ( 0.895 7.396 -3.229) 8.120 2.887 ( 0.895 7.396 3.229) 8.120 3.157 ( 0.447 10.752 -4.785) 11.777 3.157 ( 0.447 10.752 4.785) 11.777 3.416 ( -1.637 -0.392 -5.625) 5.872 3.416 ( -1.637 -0.392 5.625) 5.872 3.736 ( -3.560 1.101 -2.056) 4.256 3.736 ( -3.560 1.101 2.056) 4.256 3.928 ( -6.109 -2.124 -4.144) 7.682 3.928 ( -6.109 -2.124 4.144) 7.682 4.183 ( 4.498 -3.024 -8.945) 10.459 4.183 ( 4.498 -3.024 8.945) 10.459 4.318 ( 2.023 -0.504 -2.521) 3.272 4.318 ( 2.023 -0.504 2.521) 3.272 4.532 ( 0.145 5.247 -3.604) 6.367 4.532 ( 0.145 5.247 3.604) 6.367 4.859 ( -3.449 7.762 -5.743) 10.253 4.859 ( -3.449 7.762 5.743) 10.253 4.964 ( 3.387 2.896 -1.610) 4.738 4.964 ( 3.387 2.896 1.610) 4.738 5.151 ( 1.968 14.716 -1.206) 14.896 5.151 ( 1.968 14.716 1.206) 14.896 5.382 ( -1.229 18.262 -3.259) 18.591 5.382 ( -1.229 18.262 3.259) 18.591 5.507 ( -1.197 18.186 -5.570) 19.058 5.507 ( -1.197 18.186 5.570) 19.058 5.853 ( -0.793 17.258 -4.584) 17.874 5.853 ( -0.793 17.258 4.584) 17.874 5.963 ( 0.875 11.674 -3.440) 12.202 5.963 ( 0.875 11.674 3.440) 12.202 6.335 ( 3.307 5.146 -1.937) 6.416 6.335 ( 3.307 5.146 1.937) 6.416 6.664 ( -2.181 1.064 -3.617) 4.356 6.664 ( -2.181 1.064 3.617) 4.356 8.141 ( -1.021 -0.174 -1.168) 1.561 8.141 ( -1.021 -0.174 1.168) 1.561 8.255 ( 2.661 -0.225 -3.579) 4.466 8.255 ( 2.661 -0.225 3.579) 4.466 8.915 ( 4.915 5.113 -3.339) 7.839 8.915 ( 4.915 5.113 3.339) 7.839 9.349 ( -2.067 0.220 -2.145) 2.987 9.349 ( -2.067 0.220 2.145) 2.987 9.990 ( 2.713 0.831 -6.449) 7.046 9.990 ( 2.713 0.831 6.449) 7.046 10.162 ( 1.271 -4.825 -2.306) 5.496 10.162 ( 1.271 -4.825 2.306) 5.496 10.278 ( 6.708 -3.825 -8.101) 11.191 10.278 ( 6.708 -3.825 8.101) 11.191 10.671 ( 3.644 5.182 -2.726) 6.896 10.671 ( 3.644 5.182 2.726) 6.896 11.042 ( -1.677 7.505 -6.043) 9.781 11.042 ( -1.677 7.505 6.043) 9.781 11.441 ( -14.763 -1.786 -4.075) 15.419 11.441 ( -14.763 -1.786 4.075) 15.419 11.944 ( -4.712 1.281 -1.111) 5.008 11.944 ( -4.712 1.281 1.111) 5.008 12.006 ( -8.844 2.394 -5.161) 10.515 12.006 ( -8.844 2.394 5.161) 10.515 12.355 ( 9.330 -6.161 -6.594) 12.980 12.355 ( 9.330 -6.161 6.594) 12.980 12.544 ( 5.521 2.403 -5.014) 7.835 12.544 ( 5.521 2.403 5.014) 7.835 13.044 ( 5.009 -7.734 -4.909) 10.440 13.044 ( 5.009 -7.734 4.909) 10.440 13.223 ( -3.164 -1.351 -2.102) 4.032 13.223 ( -3.164 -1.351 2.102) 4.032 13.448 ( -5.189 -3.020 -1.384) 6.161 13.448 ( -5.189 -3.020 1.384) 6.161 13.710 ( -1.429 -2.221 -4.030) 4.819 13.710 ( -1.429 -2.221 4.030) 4.819 16.016 ( 1.637 -2.317 -3.700) 4.662 16.016 ( 1.637 -2.317 3.700) 4.662 16.425 ( -0.423 -3.127 -4.491) 5.489 16.425 ( -0.423 -3.127 4.491) 5.489 16.787 ( 0.462 -12.995 -3.570) 13.484 16.787 ( 0.462 -12.995 3.570) 13.484 16.855 ( 0.778 -8.464 -4.116) 9.444 16.855 ( 0.778 -8.464 4.116) 9.444 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.400 ( 3.742 8.073 -0.051) 8.898 2.400 ( 3.742 8.073 0.051) 8.898 2.511 ( -3.921 6.532 -1.152) 7.705 2.511 ( -3.921 6.532 1.152) 7.705 2.815 ( 4.107 2.942 -4.223) 6.584 2.815 ( 4.107 2.942 4.223) 6.584 2.886 ( -1.444 4.129 -5.110) 6.726 2.886 ( -1.444 4.129 5.110) 6.726 3.152 ( -0.616 9.095 -2.255) 9.390 3.152 ( -0.616 9.095 2.255) 9.390 3.414 ( 0.718 2.493 -3.263) 4.169 3.414 ( 0.718 2.493 3.263) 4.169 3.685 ( 0.289 2.426 -1.876) 3.080 3.685 ( 0.289 2.426 1.876) 3.080 3.792 ( -6.480 -1.030 -3.991) 7.680 3.792 ( -6.480 -1.030 3.991) 7.680 4.265 ( 2.540 1.207 -8.079) 8.555 4.265 ( 2.540 1.207 8.079) 8.555 4.347 ( 0.785 -5.746 -7.106) 9.173 4.347 ( 0.785 -5.746 7.106) 9.173 4.547 ( 1.323 8.022 -1.813) 8.330 4.547 ( 1.323 8.022 1.813) 8.330 4.772 ( -3.844 6.527 -2.686) 8.037 4.772 ( -3.844 6.527 2.686) 8.037 5.039 ( 2.862 5.712 -1.786) 6.634 5.039 ( 2.862 5.712 1.786) 6.634 5.200 ( 1.968 6.165 -1.862) 6.734 5.200 ( 1.968 6.165 1.862) 6.734 5.370 ( 0.292 18.756 -2.464) 18.920 5.370 ( 0.292 18.756 2.464) 18.920 5.450 ( -3.348 17.598 -3.425) 18.238 5.450 ( -3.348 17.598 3.425) 18.238 5.861 ( 0.885 22.200 -2.021) 22.309 5.861 ( 0.885 22.200 2.021) 22.309 5.964 ( -0.370 12.985 -1.396) 13.065 5.964 ( -0.370 12.985 1.396) 13.065 6.407 ( 2.886 3.013 -1.210) 4.344 6.407 ( 2.886 3.013 1.210) 4.344 6.613 ( -2.214 1.510 -1.797) 3.226 6.613 ( -2.214 1.510 1.797) 3.226 8.123 ( -0.565 -0.556 -0.159) 0.808 8.123 ( -0.565 -0.556 0.159) 0.808 8.308 ( 1.815 -0.347 -1.185) 2.195 8.308 ( 1.815 -0.347 1.185) 2.195 9.016 ( 3.880 5.647 -3.617) 7.747 9.016 ( 3.880 5.647 3.617) 7.747 9.289 ( -3.000 2.861 -3.174) 5.222 9.289 ( -3.000 2.861 3.174) 5.222 10.067 ( 3.481 -2.777 -4.650) 6.438 10.067 ( 3.481 -2.777 4.650) 6.438 10.187 ( 1.352 -2.126 -3.328) 4.174 10.187 ( 1.352 -2.126 3.328) 4.174 10.420 ( 4.902 -4.876 -3.840) 7.909 10.420 ( 4.902 -4.876 3.840) 7.909 10.749 ( 1.465 -2.285 -3.328) 4.294 10.749 ( 1.465 -2.285 3.328) 4.294 11.009 ( 2.332 5.647 -3.357) 6.972 11.009 ( 2.332 5.647 3.357) 6.972 11.177 ( -10.605 2.069 -2.878) 11.182 11.177 ( -10.605 2.069 2.878) 11.182 11.713 ( -9.306 4.852 -1.478) 10.598 11.713 ( -9.306 4.852 1.478) 10.598 11.980 ( 0.362 0.304 -0.833) 0.958 11.980 ( 0.362 0.304 0.833) 0.958 12.493 ( 3.982 0.139 -4.614) 6.096 12.493 ( 3.982 0.139 4.614) 6.096 12.655 ( 3.615 -0.931 -3.415) 5.059 12.655 ( 3.615 -0.931 3.415) 5.059 13.100 ( -0.744 -8.606 -3.089) 9.173 13.100 ( -0.744 -8.606 3.089) 9.173 13.206 ( 3.728 2.821 -2.053) 5.106 13.206 ( 3.728 2.821 2.053) 5.106 13.321 ( -6.588 -4.710 -0.379) 8.108 13.321 ( -6.588 -4.710 0.379) 8.108 13.686 ( -0.725 -3.623 -1.749) 4.088 13.686 ( -0.725 -3.623 1.749) 4.088 16.044 ( 0.886 -2.981 -1.322) 3.379 16.044 ( 0.886 -2.981 1.322) 3.379 16.423 ( 0.132 -4.904 -1.682) 5.186 16.423 ( 0.132 -4.904 1.682) 5.186 16.777 ( -0.734 -8.283 -1.395) 8.431 16.777 ( -0.734 -8.283 1.395) 8.431 16.883 ( 1.174 -10.900 -1.310) 11.041 16.883 ( 1.174 -10.900 1.310) 11.041 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.512 ( 0.000 9.401 -0.710) 9.427 2.512 ( 0.000 9.401 0.710) 9.427 2.663 ( 0.000 2.516 -1.650) 3.009 2.663 ( 0.000 2.516 1.650) 3.009 2.727 ( 0.000 0.499 -1.658) 1.732 2.727 ( 0.000 0.499 1.658) 1.732 2.994 ( 0.000 0.627 -0.374) 0.730 2.994 ( 0.000 0.627 0.374) 0.730 3.362 ( 0.000 9.953 -5.537) 11.390 3.362 ( 0.000 9.953 5.537) 11.390 3.462 ( 0.000 4.813 -3.224) 5.793 3.462 ( 0.000 4.813 3.224) 5.793 3.748 ( 0.000 -2.141 -2.274) 3.123 3.748 ( 0.000 -2.141 2.274) 3.123 3.913 ( 0.000 -6.081 -5.056) 7.908 3.913 ( 0.000 -6.081 5.056) 7.908 4.025 ( 0.000 -5.805 -5.826) 8.224 4.025 ( 0.000 -5.805 5.826) 8.224 4.254 ( 0.000 -3.325 -0.503) 3.363 4.254 ( 0.000 -3.325 0.503) 3.363 4.547 ( 0.000 -0.101 -0.683) 0.690 4.547 ( 0.000 -0.101 0.683) 0.690 4.856 ( 0.000 -5.761 -1.828) 6.044 4.856 ( 0.000 -5.761 1.828) 6.044 5.087 ( 0.000 8.740 -1.630) 8.890 5.087 ( 0.000 8.740 1.630) 8.890 5.447 ( 0.000 12.197 -2.085) 12.374 5.447 ( 0.000 12.197 2.085) 12.374 5.712 ( 0.000 12.770 -1.006) 12.809 5.712 ( 0.000 12.770 1.006) 12.809 5.857 ( 0.000 11.801 -1.405) 11.884 5.857 ( 0.000 11.801 1.405) 11.884 6.078 ( 0.000 9.725 -0.041) 9.725 6.078 ( 0.000 9.725 0.041) 9.725 6.213 ( 0.000 13.311 -3.983) 13.894 6.213 ( 0.000 13.311 3.983) 13.894 6.464 ( 0.000 8.612 -2.672) 9.017 6.464 ( 0.000 8.612 2.672) 9.017 6.684 ( 0.000 -1.382 -3.753) 4.000 6.684 ( 0.000 -1.382 3.753) 4.000 8.169 ( 0.000 0.759 -2.986) 3.081 8.169 ( 0.000 0.759 2.986) 3.081 8.251 ( 0.000 3.100 -5.055) 5.930 8.251 ( 0.000 3.100 5.055) 5.930 8.968 ( 0.000 5.225 -1.855) 5.545 8.968 ( 0.000 5.225 1.855) 5.545 9.300 ( 0.000 -4.332 -0.725) 4.392 9.300 ( 0.000 -4.332 0.725) 4.392 9.959 ( 0.000 -2.311 -3.729) 4.387 9.959 ( 0.000 -2.311 3.729) 4.387 10.098 ( 0.000 -0.152 -4.055) 4.058 10.098 ( 0.000 -0.152 4.055) 4.058 10.256 ( 0.000 7.388 -6.551) 9.874 10.256 ( 0.000 7.388 6.551) 9.874 10.749 ( 0.000 5.590 -1.705) 5.844 10.749 ( 0.000 5.590 1.705) 5.844 11.165 ( 0.000 0.576 -8.763) 8.782 11.165 ( 0.000 0.576 8.763) 8.782 11.512 ( 0.000 -9.469 -5.532) 10.967 11.512 ( 0.000 -9.469 5.532) 10.967 11.844 ( 0.000 -8.433 -0.409) 8.443 11.844 ( 0.000 -8.433 0.409) 8.443 12.050 ( 0.000 -5.634 -6.491) 8.595 12.050 ( 0.000 -5.634 6.491) 8.595 12.240 ( 0.000 4.832 -10.006) 11.111 12.240 ( 0.000 4.832 10.006) 11.111 12.594 ( 0.000 4.808 -1.367) 4.998 12.594 ( 0.000 4.808 1.367) 4.998 12.743 ( 0.000 -12.819 -6.659) 14.445 12.743 ( 0.000 -12.819 6.659) 14.445 13.212 ( 0.000 -1.359 -8.893) 8.996 13.212 ( 0.000 -1.359 8.893) 8.996 13.538 ( 0.000 3.671 -0.558) 3.713 13.538 ( 0.000 3.671 0.558) 3.713 13.711 ( 0.000 -0.757 -5.419) 5.472 13.711 ( 0.000 -0.757 5.419) 5.472 15.986 ( 0.000 0.777 -4.490) 4.556 15.986 ( 0.000 0.777 4.490) 4.556 16.371 ( 0.000 -4.920 -4.157) 6.441 16.371 ( 0.000 -4.920 4.157) 6.441 16.531 ( 0.000 -7.531 -1.913) 7.770 16.531 ( 0.000 -7.531 1.913) 7.770 16.765 ( 0.000 -2.146 -2.379) 3.204 16.765 ( 0.000 -2.146 2.379) 3.204 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.525 ( 1.177 8.951 -0.284) 9.032 2.525 ( 1.177 8.951 0.284) 9.032 2.654 ( -1.089 2.728 -1.837) 3.465 2.654 ( -1.089 2.728 1.837) 3.465 2.752 ( 2.558 0.186 -3.325) 4.200 2.752 ( 2.558 0.186 3.325) 4.200 2.964 ( -2.606 -0.547 -1.196) 2.919 2.964 ( -2.606 -0.547 1.196) 2.919 3.378 ( 0.461 10.664 -4.838) 11.720 3.378 ( 0.461 10.664 4.838) 11.720 3.453 ( 0.571 4.889 -6.227) 7.938 3.453 ( 0.571 4.889 6.227) 7.938 3.748 ( -1.096 -0.275 -2.451) 2.699 3.748 ( -1.096 -0.275 2.451) 2.699 3.866 ( -3.483 -3.418 -1.740) 5.181 3.866 ( -3.483 -3.418 1.740) 5.181 4.059 ( 3.293 -7.286 -5.083) 9.475 4.059 ( 3.293 -7.286 5.083) 9.475 4.259 ( 0.050 -5.270 -3.636) 6.402 4.259 ( 0.050 -5.270 3.636) 6.402 4.564 ( 1.579 0.425 -2.549) 3.029 4.564 ( 1.579 0.425 2.549) 3.029 4.846 ( -1.536 -5.375 -2.843) 6.271 4.846 ( -1.536 -5.375 2.843) 6.271 5.112 ( 2.772 8.569 -0.736) 9.036 5.112 ( 2.772 8.569 0.736) 9.036 5.413 ( -3.094 10.806 -1.693) 11.367 5.413 ( -3.094 10.806 1.693) 11.367 5.698 ( -0.844 13.073 -0.483) 13.109 5.698 ( -0.844 13.073 0.483) 13.109 5.818 ( -3.118 11.134 -2.548) 11.840 5.818 ( -3.118 11.134 2.548) 11.840 6.130 ( 4.081 11.500 -0.733) 12.225 6.130 ( 4.081 11.500 0.733) 12.225 6.242 ( 2.214 13.645 -3.269) 14.205 6.242 ( 2.214 13.645 3.269) 14.205 6.472 ( 0.880 7.563 -2.505) 8.015 6.472 ( 0.880 7.563 2.505) 8.015 6.664 ( -1.882 -1.093 -3.394) 4.032 6.664 ( -1.882 -1.093 3.394) 4.032 8.154 ( -1.065 1.574 -1.420) 2.372 8.154 ( -1.065 1.574 1.420) 2.372 8.276 ( 1.977 1.536 -3.133) 4.010 8.276 ( 1.977 1.536 3.133) 4.010 9.028 ( 5.434 6.146 -2.395) 8.546 9.028 ( 5.434 6.146 2.395) 8.546 9.331 ( 2.384 -1.969 -1.471) 3.424 9.331 ( 2.384 -1.969 1.471) 3.424 9.998 ( 2.788 -2.821 -3.823) 5.509 9.998 ( 2.788 -2.821 3.823) 5.509 10.103 ( 0.234 1.098 -3.905) 4.063 10.103 ( 0.234 1.098 3.905) 4.063 10.246 ( 1.051 1.736 -3.777) 4.287 10.246 ( 1.051 1.736 3.777) 4.287 10.751 ( -1.788 1.784 -2.076) 3.270 10.751 ( -1.788 1.784 2.076) 3.270 11.100 ( -5.185 -1.407 -5.002) 7.340 11.100 ( -5.185 -1.407 5.002) 7.340 11.415 ( -5.872 0.814 -2.904) 6.601 11.415 ( -5.872 0.814 2.904) 6.601 11.871 ( 0.987 -8.372 -1.536) 8.568 11.871 ( 0.987 -8.372 1.536) 8.568 12.025 ( -7.786 -0.872 -5.935) 9.829 12.025 ( -7.786 -0.872 5.935) 9.829 12.224 ( 5.168 -3.033 -7.324) 9.463 12.224 ( 5.168 -3.033 7.324) 9.463 12.603 ( -0.605 -1.456 -6.761) 6.942 12.603 ( -0.605 -1.456 6.761) 6.942 12.831 ( 7.639 -6.921 -6.694) 12.291 12.831 ( 7.639 -6.921 6.694) 12.291 13.242 ( 2.628 0.782 -7.758) 8.228 13.242 ( 2.628 0.782 7.758) 8.228 13.472 ( -6.159 3.304 -1.001) 7.060 13.472 ( -6.159 3.304 1.001) 7.060 13.672 ( -3.329 -1.604 -5.752) 6.836 13.672 ( -3.329 -1.604 5.752) 6.836 15.999 ( 1.109 0.523 -3.359) 3.576 15.999 ( 1.109 0.523 3.359) 3.576 16.337 ( -2.396 -5.681 -2.697) 6.730 16.337 ( -2.396 -5.681 2.697) 6.730 16.582 ( 4.021 -6.485 -3.367) 8.341 16.582 ( 4.021 -6.485 3.367) 8.341 16.762 ( -0.379 -2.192 -2.740) 3.529 16.762 ( -0.379 -2.192 2.740) 3.529 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.553 ( 1.337 7.319 -0.516) 7.458 2.553 ( 1.337 7.319 0.516) 7.458 2.623 ( -1.542 4.796 -0.955) 5.127 2.623 ( -1.542 4.796 0.955) 5.127 2.821 ( 3.792 -1.335 -4.361) 5.931 2.821 ( 3.792 -1.335 4.361) 5.931 2.902 ( -3.354 -2.064 -3.590) 5.329 2.902 ( -3.354 -2.064 3.590) 5.329 3.371 ( -0.377 11.141 -0.899) 11.184 3.371 ( -0.377 11.141 0.899) 11.184 3.487 ( 1.347 4.532 -2.214) 5.220 3.487 ( 1.347 4.532 2.214) 5.220 3.721 ( -0.059 0.527 -1.755) 1.834 3.721 ( -0.059 0.527 1.755) 1.834 3.794 ( -3.333 2.580 -0.850) 4.299 3.794 ( -3.333 2.580 0.850) 4.299 4.140 ( 3.630 -9.612 -5.784) 11.791 4.140 ( 3.630 -9.612 5.784) 11.791 4.243 ( -1.408 -6.305 -6.048) 8.850 4.243 ( -1.408 -6.305 6.048) 8.850 4.604 ( 1.993 0.151 -2.675) 3.339 4.604 ( 1.993 0.151 2.675) 3.339 4.793 ( -2.761 -3.439 -2.910) 5.284 4.793 ( -2.761 -3.439 2.910) 5.284 5.197 ( 4.801 8.420 -0.479) 9.705 5.197 ( 4.801 8.420 0.479) 9.705 5.334 ( -4.292 7.442 -0.931) 8.641 5.334 ( -4.292 7.442 0.931) 8.641 5.695 ( 0.576 12.892 -0.713) 12.925 5.695 ( 0.576 12.892 0.713) 12.925 5.756 ( -2.456 11.897 -1.888) 12.294 5.756 ( -2.456 11.897 1.888) 12.294 6.206 ( 2.729 12.301 -0.858) 12.629 6.206 ( 2.729 12.301 0.858) 12.629 6.271 ( 0.287 15.796 -1.571) 15.876 6.271 ( 0.287 15.796 1.571) 15.876 6.503 ( 1.865 5.609 -1.787) 6.175 6.503 ( 1.865 5.609 1.787) 6.175 6.617 ( -2.237 -0.981 -2.099) 3.220 6.617 ( -2.237 -0.981 2.099) 3.220 8.137 ( -0.465 2.051 -0.365) 2.134 8.137 ( -0.465 2.051 0.365) 2.134 8.311 ( 1.046 -0.118 -1.021) 1.467 8.311 ( 1.046 -0.118 1.021) 1.467 9.152 ( 5.484 7.899 -2.496) 9.935 9.152 ( 5.484 7.899 2.496) 9.935 9.348 ( -1.257 2.972 -2.340) 3.986 9.348 ( -1.257 2.972 2.340) 3.986 10.050 ( 1.962 0.417 -3.842) 4.334 10.050 ( 1.962 0.417 3.842) 4.334 10.127 ( 2.970 -2.875 -3.874) 5.665 10.127 ( 2.970 -2.875 3.874) 5.665 10.301 ( 1.695 -6.392 -3.129) 7.316 10.301 ( 1.695 -6.392 3.129) 7.316 10.625 ( -7.467 -9.688 -3.548) 12.736 10.625 ( -7.467 -9.688 3.548) 12.736 11.066 ( 1.692 3.171 -3.428) 4.966 11.066 ( 1.692 3.171 3.428) 4.966 11.317 ( -3.927 9.858 -2.291) 10.856 11.317 ( -3.927 9.858 2.291) 10.856 11.843 ( -4.806 6.335 -2.351) 8.292 11.843 ( -4.806 6.335 2.351) 8.292 11.891 ( -0.733 -8.127 -4.187) 9.171 11.891 ( -0.733 -8.127 4.187) 9.171 12.363 ( 5.792 -10.010 -4.492) 12.407 12.363 ( 5.792 -10.010 4.492) 12.407 12.562 ( -2.772 -8.509 -4.414) 9.979 12.562 ( -2.772 -8.509 4.414) 9.979 13.002 ( 8.117 0.466 -2.338) 8.460 13.002 ( 8.117 0.466 2.338) 8.460 13.250 ( -4.882 2.444 -1.216) 5.593 13.250 ( -4.882 2.444 1.216) 5.593 13.366 ( -0.754 4.090 -4.560) 6.172 13.366 ( -0.754 4.090 4.560) 6.172 13.604 ( -2.561 -4.234 -3.575) 6.104 13.604 ( -2.561 -4.234 3.575) 6.104 16.019 ( 0.638 0.409 -1.121) 1.354 16.019 ( 0.638 0.409 1.121) 1.354 16.300 ( -1.054 -7.052 -0.903) 7.188 16.300 ( -1.054 -7.052 0.903) 7.188 16.659 ( 2.829 -3.633 -2.923) 5.454 16.659 ( 2.829 -3.633 2.923) 5.454 16.747 ( -1.021 -3.586 -2.465) 4.470 16.747 ( -1.021 -3.586 2.465) 4.470 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.635 ( 0.000 2.167 -0.724) 2.284 2.635 ( 0.000 2.167 0.724) 2.284 2.725 ( 0.000 1.098 -0.842) 1.384 2.725 ( 0.000 1.098 0.842) 1.384 2.764 ( 0.000 6.593 -1.886) 6.858 2.764 ( 0.000 6.593 1.886) 6.858 2.916 ( 0.000 -6.960 -1.813) 7.192 2.916 ( 0.000 -6.960 1.813) 7.192 3.539 ( 0.000 7.786 -4.232) 8.862 3.539 ( 0.000 7.786 4.232) 8.862 3.612 ( 0.000 8.651 -3.929) 9.502 3.612 ( 0.000 8.651 3.929) 9.502 3.681 ( 0.000 -4.759 -1.146) 4.895 3.681 ( 0.000 -4.759 1.146) 4.895 3.778 ( 0.000 -7.457 -4.885) 8.915 3.778 ( 0.000 -7.457 4.885) 8.915 3.936 ( 0.000 -2.575 -2.082) 3.311 3.936 ( 0.000 -2.575 2.082) 3.311 4.184 ( 0.000 -2.518 -0.114) 2.521 4.184 ( 0.000 -2.518 0.114) 2.521 4.572 ( 0.000 2.190 -0.579) 2.265 4.572 ( 0.000 2.190 0.579) 2.265 4.740 ( 0.000 -4.713 -1.607) 4.979 4.740 ( 0.000 -4.713 1.607) 4.979 5.210 ( 0.000 3.222 -0.311) 3.237 5.210 ( 0.000 3.222 0.311) 3.237 5.608 ( 0.000 4.060 -0.843) 4.146 5.608 ( 0.000 4.060 0.843) 4.146 5.890 ( 0.000 4.702 -0.701) 4.754 5.890 ( 0.000 4.702 0.701) 4.754 5.978 ( 0.000 2.224 -0.178) 2.231 5.978 ( 0.000 2.224 0.178) 2.231 6.266 ( 0.000 6.631 -0.382) 6.642 6.266 ( 0.000 6.631 0.382) 6.642 6.392 ( 0.000 4.128 -1.731) 4.476 6.392 ( 0.000 4.128 1.731) 4.476 6.596 ( 0.000 4.081 -0.923) 4.184 6.596 ( 0.000 4.081 0.923) 4.184 6.646 ( 0.000 -1.869 -1.630) 2.480 6.646 ( 0.000 -1.869 1.630) 2.480 8.194 ( 0.000 1.246 -1.012) 1.605 8.194 ( 0.000 1.246 1.012) 1.605 8.296 ( 0.000 1.035 -2.098) 2.340 8.296 ( 0.000 1.035 2.098) 2.340 9.064 ( 0.000 4.081 -0.995) 4.201 9.064 ( 0.000 4.081 0.995) 4.201 9.210 ( 0.000 -4.148 -0.159) 4.151 9.210 ( 0.000 -4.148 0.159) 4.151 9.922 ( 0.000 -0.937 -1.027) 1.391 9.922 ( 0.000 -0.937 1.027) 1.391 10.091 ( 0.000 -0.340 -1.228) 1.274 10.091 ( 0.000 -0.340 1.228) 1.274 10.475 ( 0.000 11.737 -8.277) 14.361 10.475 ( 0.000 11.737 8.277) 14.361 10.805 ( 0.000 -2.465 -7.598) 7.988 10.805 ( 0.000 -2.465 7.598) 7.988 11.075 ( 0.000 -4.598 -1.229) 4.760 11.075 ( 0.000 -4.598 1.229) 4.760 11.371 ( 0.000 -4.133 -5.027) 6.508 11.371 ( 0.000 -4.133 5.027) 6.508 11.775 ( 0.000 1.595 -2.021) 2.575 11.775 ( 0.000 1.595 2.021) 2.575 11.904 ( 0.000 -7.704 -1.568) 7.862 11.904 ( 0.000 -7.704 1.568) 7.862 12.352 ( 0.000 6.244 -9.245) 11.156 12.352 ( 0.000 6.244 9.245) 11.156 12.524 ( 0.000 -8.143 -9.273) 12.341 12.524 ( 0.000 -8.143 9.273) 12.341 12.669 ( 0.000 1.598 -0.063) 1.599 12.669 ( 0.000 1.598 0.063) 1.599 13.187 ( 0.000 -0.839 -3.982) 4.070 13.187 ( 0.000 -0.839 3.982) 4.070 13.611 ( 0.000 3.059 -1.193) 3.283 13.611 ( 0.000 3.059 1.193) 3.283 13.689 ( 0.000 -1.446 -2.827) 3.175 13.689 ( 0.000 -1.446 2.827) 3.175 16.012 ( 0.000 1.281 -2.238) 2.579 16.012 ( 0.000 1.281 2.238) 2.579 16.266 ( 0.000 -3.827 -0.264) 3.836 16.266 ( 0.000 -3.827 0.264) 3.836 16.459 ( 0.000 -1.121 -0.053) 1.122 16.459 ( 0.000 -1.121 0.053) 1.122 16.745 ( 0.000 -0.313 -0.908) 0.961 16.745 ( 0.000 -0.313 0.908) 0.961 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.656 ( 1.896 2.734 -1.092) 3.502 2.656 ( 1.896 2.734 1.092) 3.502 2.712 ( -1.054 2.845 -1.863) 3.560 2.712 ( -1.054 2.845 1.863) 3.560 2.769 ( 0.426 3.272 -0.414) 3.326 2.769 ( 0.426 3.272 0.414) 3.326 2.887 ( -2.547 -6.131 -1.033) 6.719 2.887 ( -2.547 -6.131 1.033) 6.719 3.543 ( -0.235 6.217 -5.726) 8.455 3.543 ( -0.235 6.217 5.726) 8.455 3.600 ( -0.894 7.193 -3.826) 8.196 3.600 ( -0.894 7.193 3.826) 8.196 3.702 ( 1.344 -3.199 -1.560) 3.804 3.702 ( 1.344 -3.199 1.560) 3.804 3.795 ( 3.028 -4.810 -1.205) 5.810 3.795 ( 3.028 -4.810 1.205) 5.810 3.961 ( 1.551 -1.385 -1.711) 2.692 3.961 ( 1.551 -1.385 1.711) 2.692 4.148 ( -2.908 -4.427 -2.049) 5.679 4.148 ( -2.908 -4.427 2.049) 5.679 4.593 ( 1.531 2.438 -1.226) 3.129 4.593 ( 1.531 2.438 1.226) 3.129 4.730 ( -1.105 -5.046 -1.759) 5.457 4.730 ( -1.105 -5.046 1.759) 5.457 5.234 ( 2.633 3.273 -0.125) 4.202 5.234 ( 2.633 3.273 0.125) 4.202 5.562 ( -4.353 3.865 -0.663) 5.859 5.562 ( -4.353 3.865 0.663) 5.859 5.879 ( -0.763 4.734 -0.307) 4.805 5.879 ( -0.763 4.734 0.307) 4.805 5.949 ( -2.254 2.822 -1.064) 3.766 5.949 ( -2.254 2.822 1.064) 3.766 6.317 ( 4.239 6.173 -0.625) 7.515 6.317 ( 4.239 6.173 0.625) 7.515 6.425 ( 2.820 4.012 -1.622) 5.165 6.425 ( 2.820 4.012 1.622) 5.165 6.590 ( -0.562 3.811 -0.804) 3.936 6.590 ( -0.562 3.811 0.804) 3.936 6.635 ( -1.185 -1.446 -1.658) 2.499 6.635 ( -1.185 -1.446 1.658) 2.499 8.198 ( 0.228 2.180 -0.909) 2.372 8.198 ( 0.228 2.180 0.909) 2.372 8.287 ( -0.579 -0.473 -1.849) 1.995 8.287 ( -0.579 -0.473 1.849) 1.995 9.152 ( 7.640 5.923 -0.982) 9.717 9.152 ( 7.640 5.923 0.982) 9.717 9.270 ( 5.727 -4.054 -0.308) 7.023 9.270 ( 5.727 -4.054 0.308) 7.023 9.932 ( 0.947 -2.114 -1.041) 2.540 9.932 ( 0.947 -2.114 1.041) 2.540 10.118 ( 2.597 -0.156 -1.235) 2.880 10.118 ( 2.597 -0.156 1.235) 2.880 10.381 ( -7.455 9.893 -6.380) 13.934 10.381 ( -7.455 9.893 6.380) 13.934 10.671 ( -12.910 -8.993 -7.813) 17.567 10.671 ( -12.910 -8.993 7.813) 17.567 11.118 ( 4.452 4.258 -5.719) 8.406 11.118 ( 4.452 4.258 5.719) 8.406 11.401 ( 1.806 -4.112 -2.893) 5.342 11.401 ( 1.806 -4.112 2.893) 5.342 11.770 ( -0.478 1.829 -2.006) 2.756 11.770 ( -0.478 1.829 2.006) 2.756 11.913 ( 0.307 -8.511 -1.419) 8.634 11.913 ( 0.307 -8.511 1.419) 8.634 12.274 ( -4.577 5.741 -5.687) 9.287 12.274 ( -4.577 5.741 5.687) 9.287 12.471 ( -4.201 -7.773 -5.764) 10.549 12.471 ( -4.201 -7.773 5.764) 10.549 12.812 ( 10.855 1.130 -0.972) 10.957 12.812 ( 10.855 1.130 0.972) 10.957 13.243 ( 4.950 -0.305 -3.360) 5.990 13.243 ( 4.950 -0.305 3.360) 5.990 13.532 ( -7.477 2.076 -1.166) 7.847 13.532 ( -7.477 2.076 1.166) 7.847 13.646 ( -3.876 -0.904 -2.855) 4.898 13.646 ( -3.876 -0.904 2.855) 4.898 16.023 ( 1.127 1.318 -1.659) 2.400 16.023 ( 1.127 1.318 1.659) 2.400 16.232 ( -2.903 -3.659 -0.373) 4.685 16.232 ( -2.903 -3.659 0.373) 4.685 16.514 ( 4.770 -1.275 -1.241) 5.091 16.514 ( 4.770 -1.275 1.241) 5.091 16.741 ( -0.631 -0.355 -0.977) 1.216 16.741 ( -0.631 -0.355 0.977) 1.216 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.687 ( -0.048 5.564 -1.113) 5.675 2.687 ( -0.048 5.564 1.113) 5.675 2.703 ( 0.981 3.225 -2.022) 3.931 2.703 ( 0.981 3.225 2.022) 3.931 2.784 ( 1.297 -1.888 -3.114) 3.865 2.784 ( 1.297 -1.888 3.114) 3.865 2.829 ( -2.838 -4.560 -2.382) 5.876 2.829 ( -2.838 -4.560 2.382) 5.876 3.536 ( 0.009 4.603 -4.802) 6.652 3.536 ( 0.009 4.603 4.802) 6.652 3.567 ( -1.820 2.029 -2.845) 3.940 3.567 ( -1.820 2.029 2.845) 3.940 3.752 ( 2.543 4.461 -2.314) 5.632 3.752 ( 2.543 4.461 2.314) 5.632 3.860 ( 1.892 -0.115 -2.239) 2.934 3.860 ( 1.892 -0.115 2.239) 2.934 3.981 ( 0.687 -2.572 -0.779) 2.774 3.981 ( 0.687 -2.572 0.779) 2.774 4.095 ( -1.822 -7.703 -2.627) 8.340 4.095 ( -1.822 -7.703 2.627) 8.340 4.619 ( 0.905 1.916 -1.145) 2.409 4.619 ( 0.905 1.916 1.145) 2.409 4.699 ( -1.515 -4.751 -1.564) 5.226 4.699 ( -1.515 -4.751 1.564) 5.226 5.320 ( 5.653 3.359 -0.143) 6.577 5.320 ( 5.653 3.359 0.143) 6.577 5.449 ( -6.355 3.274 -0.337) 7.157 5.449 ( -6.355 3.274 0.337) 7.157 5.873 ( 0.237 4.916 -0.964) 5.015 5.873 ( 0.237 4.916 0.964) 5.015 5.907 ( -1.602 3.278 -1.286) 3.868 5.907 ( -1.602 3.278 1.286) 3.868 6.400 ( 3.013 6.958 -0.411) 7.593 6.400 ( 3.013 6.958 0.411) 7.593 6.481 ( 2.055 3.504 -0.988) 4.181 6.481 ( 2.055 3.504 0.988) 4.181 6.575 ( -0.719 1.647 -0.687) 1.924 6.575 ( -0.719 1.647 0.687) 1.924 6.602 ( -1.587 0.204 -1.475) 2.176 6.602 ( -1.587 0.204 1.475) 2.176 8.200 ( 0.022 3.906 -0.343) 3.921 8.200 ( 0.022 3.906 0.343) 3.921 8.281 ( -0.082 -2.913 -0.735) 3.005 8.281 ( -0.082 -2.913 0.735) 3.005 9.308 ( 6.257 6.803 -0.997) 9.297 9.308 ( 6.257 6.803 0.997) 9.297 9.386 ( 3.225 -0.134 -0.689) 3.300 9.386 ( 3.225 -0.134 0.689) 3.300 9.993 ( 6.951 -3.570 -0.810) 7.856 9.993 ( 6.951 -3.570 0.810) 7.856 10.177 ( 2.096 2.523 -1.151) 3.476 10.177 ( 2.096 2.523 1.151) 3.476 10.210 ( -10.306 2.099 -2.977) 10.931 10.210 ( -10.306 2.099 2.977) 10.931 10.402 ( -9.296 -11.543 -4.793) 15.577 10.402 ( -9.296 -11.543 4.793) 15.577 11.202 ( 2.716 10.071 -2.694) 10.773 11.202 ( 2.716 10.071 2.694) 10.773 11.422 ( 0.334 -4.446 -0.612) 4.501 11.422 ( 0.334 -4.446 0.612) 4.501 11.759 ( -0.464 2.501 -0.775) 2.659 11.759 ( -0.464 2.501 0.775) 2.659 11.901 ( -1.005 -4.921 -0.472) 5.045 11.901 ( -1.005 -4.921 0.472) 5.045 12.239 ( 0.787 0.985 -2.957) 3.215 12.239 ( 0.787 0.985 2.957) 3.215 12.381 ( -3.761 -8.440 -2.909) 9.687 12.381 ( -3.761 -8.440 2.909) 9.687 13.047 ( 11.786 2.195 -0.660) 12.007 13.047 ( 11.786 2.195 0.660) 12.007 13.288 ( -7.395 0.866 -0.660) 7.475 13.288 ( -7.395 0.866 0.660) 7.475 13.412 ( 2.747 0.681 -3.158) 4.241 13.412 ( 2.747 0.681 3.158) 4.241 13.545 ( -5.786 -1.337 -2.662) 6.508 13.545 ( -5.786 -1.337 2.662) 6.508 16.054 ( 1.505 2.618 -0.630) 3.085 16.054 ( 1.505 2.618 0.630) 3.085 16.171 ( -2.418 -5.109 -0.233) 5.657 16.171 ( -2.418 -5.109 0.233) 5.657 16.620 ( 5.069 -0.673 -1.284) 5.272 16.620 ( 5.069 -0.673 1.284) 5.272 16.708 ( -2.762 -0.791 -1.094) 3.074 16.708 ( -2.762 -0.791 1.094) 3.074 =================== 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 2939.013 2657.565 1873.615 0.000 0.000 -0.000 3/25200 20.0 457.179 646.418 473.224 0.000 0.000 -0.000 3/25200 30.0 142.961 254.515 152.031 0.000 0.000 -0.000 3/25200 40.0 68.023 144.840 73.900 0.000 0.000 -0.000 3/25200 50.0 41.014 99.257 45.445 0.000 0.000 -0.000 3/25200 60.0 28.295 74.357 31.819 0.000 0.000 -0.000 3/25200 70.0 21.176 58.553 24.057 0.000 0.000 -0.000 3/25200 80.0 16.717 47.673 19.116 0.000 0.000 -0.000 3/25200 90.0 13.702 39.806 15.731 0.000 0.000 -0.000 3/25200 100.0 11.553 33.925 13.290 0.000 0.000 -0.000 3/25200 110.0 9.956 29.411 11.460 0.000 0.000 -0.000 3/25200 120.0 8.732 25.871 10.048 0.000 0.000 -0.000 3/25200 130.0 7.769 23.040 8.931 0.000 0.000 -0.000 3/25200 140.0 6.994 20.739 8.030 0.000 0.000 -0.000 3/25200 150.0 6.359 18.840 7.289 0.000 0.000 -0.000 3/25200 160.0 5.830 17.251 6.671 0.000 0.000 -0.000 3/25200 170.0 5.383 15.906 6.149 0.000 0.000 -0.000 3/25200 180.0 5.001 14.754 5.703 0.000 0.000 -0.000 3/25200 190.0 4.670 13.758 5.318 0.000 0.000 -0.000 3/25200 200.0 4.382 12.890 4.981 0.000 0.000 -0.000 3/25200 210.0 4.128 12.126 4.686 0.000 0.000 -0.000 3/25200 220.0 3.903 11.449 4.424 0.000 0.000 -0.000 3/25200 230.0 3.702 10.846 4.190 0.000 0.000 -0.000 3/25200 240.0 3.521 10.304 3.981 0.000 0.000 -0.000 3/25200 250.0 3.358 9.816 3.791 0.000 0.000 -0.000 3/25200 260.0 3.209 9.373 3.620 0.000 0.000 -0.000 3/25200 270.0 3.074 8.969 3.464 0.000 0.000 -0.000 3/25200 280.0 2.950 8.600 3.321 0.000 0.000 -0.000 3/25200 290.0 2.836 8.261 3.190 0.000 0.000 -0.000 3/25200 300.0 2.730 7.949 3.069 0.000 0.000 -0.000 3/25200 310.0 2.633 7.660 2.957 0.000 0.000 -0.000 3/25200 320.0 2.542 7.392 2.853 0.000 0.000 -0.000 3/25200 330.0 2.458 7.143 2.757 0.000 0.000 -0.000 3/25200 340.0 2.379 6.911 2.667 0.000 0.000 -0.000 3/25200 350.0 2.305 6.693 2.582 0.000 0.000 -0.000 3/25200 360.0 2.236 6.490 2.504 0.000 0.000 -0.000 3/25200 370.0 2.171 6.298 2.430 0.000 0.000 -0.000 3/25200 380.0 2.109 6.118 2.360 0.000 0.000 -0.000 3/25200 390.0 2.052 5.949 2.294 0.000 0.000 -0.000 3/25200 400.0 1.997 5.788 2.232 0.000 0.000 -0.000 3/25200 410.0 1.945 5.637 2.173 0.000 0.000 -0.000 3/25200 420.0 1.896 5.493 2.118 0.000 0.000 -0.000 3/25200 430.0 1.850 5.357 2.065 0.000 0.000 -0.000 3/25200 440.0 1.805 5.227 2.015 0.000 0.000 -0.000 3/25200 450.0 1.763 5.104 1.967 0.000 0.000 -0.000 3/25200 460.0 1.723 4.986 1.922 0.000 0.000 -0.000 3/25200 470.0 1.684 4.874 1.878 0.000 0.000 -0.000 3/25200 480.0 1.648 4.767 1.837 0.000 0.000 -0.000 3/25200 490.0 1.613 4.665 1.797 0.000 0.000 -0.000 3/25200 500.0 1.579 4.567 1.760 0.000 0.000 -0.000 3/25200 510.0 1.547 4.473 1.723 0.000 0.000 -0.000 3/25200 520.0 1.516 4.383 1.689 0.000 0.000 -0.000 3/25200 530.0 1.486 4.297 1.655 0.000 0.000 -0.000 3/25200 540.0 1.458 4.214 1.623 0.000 0.000 -0.000 3/25200 550.0 1.430 4.134 1.592 0.000 0.000 -0.000 3/25200 560.0 1.404 4.057 1.563 0.000 0.000 -0.000 3/25200 570.0 1.378 3.983 1.534 0.000 0.000 -0.000 3/25200 580.0 1.354 3.912 1.507 0.000 0.000 -0.000 3/25200 590.0 1.330 3.843 1.480 0.000 0.000 -0.000 3/25200 600.0 1.307 3.777 1.454 0.000 0.000 -0.000 3/25200 610.0 1.285 3.713 1.430 0.000 0.000 -0.000 3/25200 620.0 1.264 3.651 1.406 0.000 0.000 -0.000 3/25200 630.0 1.243 3.591 1.383 0.000 0.000 -0.000 3/25200 640.0 1.223 3.534 1.360 0.000 0.000 -0.000 3/25200 650.0 1.204 3.478 1.339 0.000 0.000 -0.000 3/25200 660.0 1.185 3.424 1.318 0.000 0.000 -0.000 3/25200 670.0 1.167 3.371 1.298 0.000 0.000 -0.000 3/25200 680.0 1.150 3.320 1.278 0.000 0.000 -0.000 3/25200 690.0 1.133 3.271 1.259 0.000 0.000 -0.000 3/25200 700.0 1.116 3.223 1.241 0.000 0.000 -0.000 3/25200 710.0 1.100 3.176 1.223 0.000 0.000 -0.000 3/25200 720.0 1.085 3.131 1.205 0.000 0.000 -0.000 3/25200 730.0 1.069 3.087 1.188 0.000 0.000 -0.000 3/25200 740.0 1.055 3.045 1.172 0.000 0.000 -0.000 3/25200 750.0 1.040 3.003 1.156 0.000 0.000 -0.000 3/25200 760.0 1.026 2.963 1.140 0.000 0.000 -0.000 3/25200 770.0 1.013 2.924 1.125 0.000 0.000 -0.000 3/25200 780.0 1.000 2.885 1.110 0.000 0.000 -0.000 3/25200 790.0 0.987 2.848 1.096 0.000 0.000 -0.000 3/25200 800.0 0.974 2.812 1.082 0.000 0.000 -0.000 3/25200 810.0 0.962 2.776 1.068 0.000 0.000 -0.000 3/25200 820.0 0.950 2.742 1.055 0.000 0.000 -0.000 3/25200 830.0 0.939 2.708 1.042 0.000 0.000 -0.000 3/25200 840.0 0.927 2.676 1.029 0.000 0.000 -0.000 3/25200 850.0 0.916 2.644 1.017 0.000 0.000 -0.000 3/25200 860.0 0.905 2.612 1.005 0.000 0.000 -0.000 3/25200 870.0 0.895 2.582 0.993 0.000 0.000 -0.000 3/25200 880.0 0.884 2.552 0.982 0.000 0.000 -0.000 3/25200 890.0 0.874 2.523 0.971 0.000 0.000 -0.000 3/25200 900.0 0.865 2.494 0.960 0.000 0.000 -0.000 3/25200 910.0 0.855 2.467 0.949 0.000 0.000 -0.000 3/25200 920.0 0.846 2.439 0.938 0.000 0.000 -0.000 3/25200 930.0 0.836 2.413 0.928 0.000 0.000 -0.000 3/25200 940.0 0.827 2.387 0.918 0.000 0.000 -0.000 3/25200 950.0 0.819 2.361 0.908 0.000 0.000 -0.000 3/25200 960.0 0.810 2.336 0.899 0.000 0.000 -0.000 3/25200 970.0 0.801 2.312 0.889 0.000 0.000 -0.000 3/25200 980.0 0.793 2.288 0.880 0.000 0.000 -0.000 3/25200 990.0 0.785 2.265 0.871 0.000 0.000 -0.000 3/25200 1000.0 0.777 2.242 0.862 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 15:56:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|