----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:46:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.805666430037181 0.000000000000000 0.000000000000000 b 0.000000000000000 7.309248760000000 0.000000000000000 c -1.282205633083536 0.000000000000000 7.211397556226805 Atomic positions (fractional): *1 O 0.61422121490666 0.91511705491363 0.14980654585260 15.999 2 O 0.61422121490666 0.58488294508637 0.64980654585260 15.999 3 O 0.38577878509334 0.08488294508637 0.85019345414740 15.999 4 O 0.38577878509334 0.41511705491363 0.35019345414740 15.999 *5 Se 0.07801592929398 0.27859692233663 0.52852382236744 78.960 *6 Se 0.68090021855680 0.37218677952995 0.06817300544789 78.960 7 Se 0.31909978144320 0.62781322047005 0.93182699455211 78.960 8 Se 0.68090021855680 0.12781322047005 0.56817300544789 78.960 9 Se 0.92198407070602 0.77859692233663 0.97147617763256 78.960 10 Se 0.92198407070602 0.72140307766337 0.47147617763256 78.960 11 Se 0.07801592929398 0.22140307766337 0.02852382236744 78.960 12 Se 0.31909978144320 0.87218677952995 0.43182699455211 78.960 *13 Pr 0.14130574877589 0.94685686097018 0.75324296057570 140.908 14 Pr 0.85869425122411 0.44685686097018 0.74675703942430 140.908 15 Pr 0.85869425122411 0.05314313902982 0.24675703942430 140.908 16 Pr 0.14130574877589 0.55314313902982 0.25324296057570 140.908 *17 Pr 0.57475289724296 0.85205725985426 0.82600024857148 140.908 18 Pr 0.42524710275703 0.35205725985426 0.67399975142852 140.908 19 Pr 0.42524710275703 0.14794274014574 0.17399975142852 140.908 20 Pr 0.57475289724296 0.64794274014574 0.32600024857148 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.805666430037181 0.000000000000000 0.000000000000000 b 0.000000000000000 7.309248760000000 0.000000000000000 c -1.282205633083536 0.000000000000000 7.211397556226805 Atomic positions (fractional): *1 O 0.61422121490666 0.91511705491363 0.14980654585260 15.999 > 1 2 O 0.61422121490666 0.58488294508637 0.64980654585260 15.999 > 2 3 O 0.38577878509334 0.08488294508637 0.85019345414740 15.999 > 3 4 O 0.38577878509334 0.41511705491363 0.35019345414740 15.999 > 4 *5 Se 0.07801592929398 0.27859692233663 0.52852382236744 78.960 > 5 *6 Se 0.68090021855680 0.37218677952995 0.06817300544789 78.960 > 6 7 Se 0.31909978144320 0.62781322047005 0.93182699455211 78.960 > 7 8 Se 0.68090021855680 0.12781322047005 0.56817300544789 78.960 > 8 9 Se 0.92198407070602 0.77859692233663 0.97147617763256 78.960 > 9 10 Se 0.92198407070602 0.72140307766337 0.47147617763256 78.960 > 10 11 Se 0.07801592929398 0.22140307766337 0.02852382236744 78.960 > 11 12 Se 0.31909978144320 0.87218677952995 0.43182699455211 78.960 > 12 *13 Pr 0.14130574877589 0.94685686097018 0.75324296057570 140.908 > 13 14 Pr 0.85869425122411 0.44685686097018 0.74675703942430 140.908 > 14 15 Pr 0.85869425122411 0.05314313902982 0.24675703942430 140.908 > 15 16 Pr 0.14130574877589 0.55314313902982 0.25324296057570 140.908 > 16 *17 Pr 0.57475289724296 0.85205725985426 0.82600024857148 140.908 > 17 18 Pr 0.42524710275703 0.35205725985426 0.67399975142852 140.908 > 18 19 Pr 0.42524710275703 0.14794274014574 0.17399975142852 140.908 > 19 20 Pr 0.57475289724296 0.64794274014574 0.32600024857148 140.908 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.805666430037181 0.000000000000000 0.000000000000000 b 0.000000000000000 14.618497520000000 0.000000000000000 c -2.564411266167072 0.000000000000000 14.422795112453610 Atomic positions (fractional): *1 O 0.61422121490666 0.45755852745682 0.07490327292630 15.999 > 1 2 O 0.61422121490666 0.95755852745682 0.07490327292630 15.999 > 1 3 O 0.61422121490666 0.45755852745682 0.57490327292630 15.999 > 1 4 O 0.61422121490666 0.95755852745682 0.57490327292630 15.999 > 1 5 O 0.61422121490666 0.29244147254318 0.32490327292630 15.999 > 2 6 O 0.61422121490666 0.79244147254318 0.32490327292630 15.999 > 2 7 O 0.61422121490666 0.29244147254318 0.82490327292630 15.999 > 2 8 O 0.61422121490666 0.79244147254318 0.82490327292630 15.999 > 2 9 O 0.38577878509334 0.04244147254318 0.42509672707370 15.999 > 3 10 O 0.38577878509334 0.54244147254318 0.42509672707370 15.999 > 3 11 O 0.38577878509334 0.04244147254318 0.92509672707370 15.999 > 3 12 O 0.38577878509334 0.54244147254318 0.92509672707370 15.999 > 3 13 O 0.38577878509334 0.20755852745682 0.17509672707370 15.999 > 4 14 O 0.38577878509334 0.70755852745682 0.17509672707370 15.999 > 4 15 O 0.38577878509334 0.20755852745682 0.67509672707370 15.999 > 4 16 O 0.38577878509334 0.70755852745682 0.67509672707370 15.999 > 4 *17 Se 0.07801592929398 0.13929846116832 0.26426191118372 78.960 > 5 18 Se 0.07801592929398 0.63929846116832 0.26426191118372 78.960 > 5 19 Se 0.07801592929398 0.13929846116832 0.76426191118372 78.960 > 5 20 Se 0.07801592929398 0.63929846116832 0.76426191118372 78.960 > 5 *21 Se 0.68090021855680 0.18609338976498 0.03408650272395 78.960 > 6 22 Se 0.68090021855680 0.68609338976498 0.03408650272395 78.960 > 6 23 Se 0.68090021855680 0.18609338976498 0.53408650272395 78.960 > 6 24 Se 0.68090021855680 0.68609338976498 0.53408650272395 78.960 > 6 25 Se 0.31909978144320 0.31390661023502 0.46591349727605 78.960 > 7 26 Se 0.31909978144320 0.81390661023502 0.46591349727605 78.960 > 7 27 Se 0.31909978144320 0.31390661023502 0.96591349727605 78.960 > 7 28 Se 0.31909978144320 0.81390661023502 0.96591349727605 78.960 > 7 29 Se 0.68090021855680 0.06390661023502 0.28408650272395 78.960 > 8 30 Se 0.68090021855680 0.56390661023502 0.28408650272395 78.960 > 8 31 Se 0.68090021855680 0.06390661023502 0.78408650272395 78.960 > 8 32 Se 0.68090021855680 0.56390661023502 0.78408650272395 78.960 > 8 33 Se 0.92198407070602 0.38929846116832 0.48573808881628 78.960 > 9 34 Se 0.92198407070602 0.88929846116832 0.48573808881628 78.960 > 9 35 Se 0.92198407070602 0.38929846116832 0.98573808881628 78.960 > 9 36 Se 0.92198407070602 0.88929846116832 0.98573808881628 78.960 > 9 37 Se 0.92198407070602 0.36070153883168 0.23573808881628 78.960 > 10 38 Se 0.92198407070602 0.86070153883168 0.23573808881628 78.960 > 10 39 Se 0.92198407070602 0.36070153883168 0.73573808881628 78.960 > 10 40 Se 0.92198407070602 0.86070153883168 0.73573808881628 78.960 > 10 41 Se 0.07801592929398 0.11070153883168 0.01426191118372 78.960 > 11 42 Se 0.07801592929398 0.61070153883168 0.01426191118372 78.960 > 11 43 Se 0.07801592929398 0.11070153883168 0.51426191118372 78.960 > 11 44 Se 0.07801592929398 0.61070153883168 0.51426191118372 78.960 > 11 45 Se 0.31909978144320 0.43609338976498 0.21591349727605 78.960 > 12 46 Se 0.31909978144320 0.93609338976498 0.21591349727605 78.960 > 12 47 Se 0.31909978144320 0.43609338976498 0.71591349727605 78.960 > 12 48 Se 0.31909978144320 0.93609338976498 0.71591349727605 78.960 > 12 *49 Pr 0.14130574877589 0.47342843048509 0.37662148028785 140.908 > 13 50 Pr 0.14130574877589 0.97342843048509 0.37662148028785 140.908 > 13 51 Pr 0.14130574877589 0.47342843048509 0.87662148028785 140.908 > 13 52 Pr 0.14130574877589 0.97342843048509 0.87662148028785 140.908 > 13 53 Pr 0.85869425122411 0.22342843048509 0.37337851971215 140.908 > 14 54 Pr 0.85869425122411 0.72342843048509 0.37337851971215 140.908 > 14 55 Pr 0.85869425122411 0.22342843048509 0.87337851971215 140.908 > 14 56 Pr 0.85869425122411 0.72342843048509 0.87337851971215 140.908 > 14 57 Pr 0.85869425122411 0.02657156951491 0.12337851971215 140.908 > 15 58 Pr 0.85869425122411 0.52657156951491 0.12337851971215 140.908 > 15 59 Pr 0.85869425122411 0.02657156951491 0.62337851971215 140.908 > 15 60 Pr 0.85869425122411 0.52657156951491 0.62337851971215 140.908 > 15 61 Pr 0.14130574877589 0.27657156951491 0.12662148028785 140.908 > 16 62 Pr 0.14130574877589 0.77657156951491 0.12662148028785 140.908 > 16 63 Pr 0.14130574877589 0.27657156951491 0.62662148028785 140.908 > 16 64 Pr 0.14130574877589 0.77657156951491 0.62662148028785 140.908 > 16 *65 Pr 0.57475289724296 0.42602862992713 0.41300012428574 140.908 > 17 66 Pr 0.57475289724296 0.92602862992713 0.41300012428574 140.908 > 17 67 Pr 0.57475289724296 0.42602862992713 0.91300012428574 140.908 > 17 68 Pr 0.57475289724296 0.92602862992713 0.91300012428574 140.908 > 17 69 Pr 0.42524710275703 0.17602862992713 0.33699987571426 140.908 > 18 70 Pr 0.42524710275703 0.67602862992713 0.33699987571426 140.908 > 18 71 Pr 0.42524710275703 0.17602862992713 0.83699987571426 140.908 > 18 72 Pr 0.42524710275703 0.67602862992713 0.83699987571426 140.908 > 18 73 Pr 0.42524710275703 0.07397137007287 0.08699987571426 140.908 > 19 74 Pr 0.42524710275703 0.57397137007287 0.08699987571426 140.908 > 19 75 Pr 0.42524710275703 0.07397137007287 0.58699987571426 140.908 > 19 76 Pr 0.42524710275703 0.57397137007287 0.58699987571426 140.908 > 19 77 Pr 0.57475289724296 0.32397137007287 0.16300012428574 140.908 > 20 78 Pr 0.57475289724296 0.82397137007287 0.16300012428574 140.908 > 20 79 Pr 0.57475289724296 0.32397137007287 0.66300012428574 140.908 > 20 80 Pr 0.57475289724296 0.82397137007287 0.66300012428574 140.908 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6183937 0.0000000 -0.4128932 0.0000000 7.8126847 0.0000000 -0.4128925 0.0000000 7.6621860 -------------------------- Born effective charges -------------------------- 1 O -3.1809053 -0.1760764 0.0930030 -0.2716590 -3.1399749 -0.1648979 -0.0294736 -0.1514088 -2.9581979 2 O -3.1809053 0.1760764 0.0930030 0.2716590 -3.1399749 0.1648979 -0.0294736 0.1514088 -2.9581979 3 O -3.1809053 -0.1760764 0.0930030 -0.2716590 -3.1399749 -0.1648979 -0.0294736 -0.1514088 -2.9581979 4 O -3.1809053 0.1760764 0.0930030 0.2716590 -3.1399749 0.1648979 -0.0294736 0.1514088 -2.9581979 5 Se -2.3513985 -0.2783645 -0.0997394 -0.1533490 -2.7459197 0.2586865 0.0029402 0.4931080 -2.4933060 6 Se -2.6246734 0.1485869 0.4916440 0.2129509 -2.5568688 0.2599764 0.3351466 0.2365355 -2.6456493 7 Se -2.6246734 0.1485869 0.4916440 0.2129509 -2.5568688 0.2599764 0.3351466 0.2365355 -2.6456493 8 Se -2.6246734 -0.1485869 0.4916440 -0.2129509 -2.5568688 -0.2599764 0.3351466 -0.2365355 -2.6456493 9 Se -2.3513985 0.2783645 -0.0997394 0.1533490 -2.7459197 -0.2586865 0.0029402 -0.4931080 -2.4933060 10 Se -2.3513985 -0.2783645 -0.0997394 -0.1533490 -2.7459197 0.2586865 0.0029402 0.4931080 -2.4933060 11 Se -2.3513985 0.2783645 -0.0997394 0.1533490 -2.7459197 -0.2586865 0.0029402 -0.4931080 -2.4933060 12 Se -2.6246734 -0.1485869 0.4916440 -0.2129509 -2.5568688 -0.2599764 0.3351466 -0.2365355 -2.6456493 13 Pr 3.9847190 -0.0887201 -0.1430443 0.1112858 4.3037541 -0.0576869 -0.1158383 -0.1490942 3.8490625 14 Pr 3.9847190 0.0887201 -0.1430443 -0.1112858 4.3037541 0.0576869 -0.1158383 0.1490942 3.8490625 15 Pr 3.9847190 -0.0887201 -0.1430443 0.1112858 4.3037541 -0.0576869 -0.1158383 -0.1490942 3.8490625 16 Pr 3.9847190 0.0887201 -0.1430443 -0.1112858 4.3037541 0.0576869 -0.1158383 0.1490942 3.8490625 17 Pr 4.1722583 -0.2587634 -0.3418632 -0.1375735 4.1390093 0.0215928 -0.1927748 0.0083095 4.2480906 18 Pr 4.1722583 0.2587634 -0.3418632 0.1375735 4.1390093 -0.0215928 -0.1927748 -0.0083095 4.2480906 19 Pr 4.1722583 -0.2587634 -0.3418632 -0.1375735 4.1390093 0.0215928 -0.1927748 0.0083095 4.2480906 20 Pr 4.1722583 0.2587634 -0.3418632 0.1375735 4.1390093 -0.0215928 -0.1927748 -0.0083095 4.2480906 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1860 Number of blocks in projector: 1860 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1860, 1816), data: False |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.163 Solver_block: 200 / 640 - Time: 2.158 Solver_block: 300 / 640 - Time: 2.156 Solver_block: 400 / 640 - Time: 2.154 Solver_block: 500 / 640 - Time: 2.152 Solver_block: 600 / 640 - Time: 2.157 Solver_block: 640 / 640 - Time: 0.921 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.905 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1860 Number of blocks in projector: 1860 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1860, 1816), data: False |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:47:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:47:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.805666430037181 0.000000000000000 0.000000000000000 b 0.000000000000000 7.309248760000000 0.000000000000000 c -1.282205633083536 0.000000000000000 7.211397556226805 Atomic positions (fractional): 1 O 0.61422121490666 0.91511705491363 0.14980654585260 15.999 2 O 0.61422121490666 0.58488294508637 0.64980654585260 15.999 3 O 0.38577878509334 0.08488294508637 0.85019345414740 15.999 4 O 0.38577878509334 0.41511705491363 0.35019345414740 15.999 5 Se 0.07801592929398 0.27859692233663 0.52852382236744 78.960 6 Se 0.68090021855680 0.37218677952995 0.06817300544789 78.960 7 Se 0.31909978144320 0.62781322047005 0.93182699455211 78.960 8 Se 0.68090021855680 0.12781322047005 0.56817300544789 78.960 9 Se 0.92198407070602 0.77859692233663 0.97147617763256 78.960 10 Se 0.92198407070602 0.72140307766337 0.47147617763256 78.960 11 Se 0.07801592929398 0.22140307766337 0.02852382236744 78.960 12 Se 0.31909978144320 0.87218677952995 0.43182699455211 78.960 13 Pr 0.14130574877589 0.94685686097018 0.75324296057570 140.908 14 Pr 0.85869425122411 0.44685686097018 0.74675703942430 140.908 15 Pr 0.85869425122411 0.05314313902982 0.24675703942430 140.908 16 Pr 0.14130574877589 0.55314313902982 0.25324296057570 140.908 17 Pr 0.57475289724296 0.85205725985426 0.82600024857148 140.908 18 Pr 0.42524710275703 0.35205725985426 0.67399975142852 140.908 19 Pr 0.42524710275703 0.14794274014574 0.17399975142852 140.908 20 Pr 0.57475289724296 0.64794274014574 0.32600024857148 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.805666430037181 0.000000000000000 0.000000000000000 b 0.000000000000000 14.618497520000000 0.000000000000000 c -2.564411266167072 0.000000000000000 14.422795112453610 Atomic positions (fractional): 1 O 0.61422121490666 0.45755852745682 0.07490327292630 15.999 > 1 2 O 0.61422121490666 0.95755852745682 0.07490327292630 15.999 > 1 3 O 0.61422121490666 0.45755852745682 0.57490327292630 15.999 > 1 4 O 0.61422121490666 0.95755852745682 0.57490327292630 15.999 > 1 5 O 0.61422121490666 0.29244147254318 0.32490327292630 15.999 > 5 6 O 0.61422121490666 0.79244147254318 0.32490327292630 15.999 > 5 7 O 0.61422121490666 0.29244147254318 0.82490327292630 15.999 > 5 8 O 0.61422121490666 0.79244147254318 0.82490327292630 15.999 > 5 9 O 0.38577878509334 0.04244147254318 0.42509672707370 15.999 > 9 10 O 0.38577878509334 0.54244147254318 0.42509672707370 15.999 > 9 11 O 0.38577878509334 0.04244147254318 0.92509672707370 15.999 > 9 12 O 0.38577878509334 0.54244147254318 0.92509672707370 15.999 > 9 13 O 0.38577878509334 0.20755852745682 0.17509672707370 15.999 > 13 14 O 0.38577878509334 0.70755852745682 0.17509672707370 15.999 > 13 15 O 0.38577878509334 0.20755852745682 0.67509672707370 15.999 > 13 16 O 0.38577878509334 0.70755852745682 0.67509672707370 15.999 > 13 17 Se 0.07801592929398 0.13929846116832 0.26426191118372 78.960 > 17 18 Se 0.07801592929398 0.63929846116832 0.26426191118372 78.960 > 17 19 Se 0.07801592929398 0.13929846116832 0.76426191118372 78.960 > 17 20 Se 0.07801592929398 0.63929846116832 0.76426191118372 78.960 > 17 21 Se 0.68090021855680 0.18609338976498 0.03408650272395 78.960 > 21 22 Se 0.68090021855680 0.68609338976498 0.03408650272395 78.960 > 21 23 Se 0.68090021855680 0.18609338976498 0.53408650272395 78.960 > 21 24 Se 0.68090021855680 0.68609338976498 0.53408650272395 78.960 > 21 25 Se 0.31909978144320 0.31390661023502 0.46591349727605 78.960 > 25 26 Se 0.31909978144320 0.81390661023502 0.46591349727605 78.960 > 25 27 Se 0.31909978144320 0.31390661023502 0.96591349727605 78.960 > 25 28 Se 0.31909978144320 0.81390661023502 0.96591349727605 78.960 > 25 29 Se 0.68090021855680 0.06390661023502 0.28408650272395 78.960 > 29 30 Se 0.68090021855680 0.56390661023502 0.28408650272395 78.960 > 29 31 Se 0.68090021855680 0.06390661023502 0.78408650272395 78.960 > 29 32 Se 0.68090021855680 0.56390661023502 0.78408650272395 78.960 > 29 33 Se 0.92198407070602 0.38929846116832 0.48573808881628 78.960 > 33 34 Se 0.92198407070602 0.88929846116832 0.48573808881628 78.960 > 33 35 Se 0.92198407070602 0.38929846116832 0.98573808881628 78.960 > 33 36 Se 0.92198407070602 0.88929846116832 0.98573808881628 78.960 > 33 37 Se 0.92198407070602 0.36070153883168 0.23573808881628 78.960 > 37 38 Se 0.92198407070602 0.86070153883168 0.23573808881628 78.960 > 37 39 Se 0.92198407070602 0.36070153883168 0.73573808881628 78.960 > 37 40 Se 0.92198407070602 0.86070153883168 0.73573808881628 78.960 > 37 41 Se 0.07801592929398 0.11070153883168 0.01426191118372 78.960 > 41 42 Se 0.07801592929398 0.61070153883168 0.01426191118372 78.960 > 41 43 Se 0.07801592929398 0.11070153883168 0.51426191118372 78.960 > 41 44 Se 0.07801592929398 0.61070153883168 0.51426191118372 78.960 > 41 45 Se 0.31909978144320 0.43609338976498 0.21591349727605 78.960 > 45 46 Se 0.31909978144320 0.93609338976498 0.21591349727605 78.960 > 45 47 Se 0.31909978144320 0.43609338976498 0.71591349727605 78.960 > 45 48 Se 0.31909978144320 0.93609338976498 0.71591349727605 78.960 > 45 49 Pr 0.14130574877589 0.47342843048509 0.37662148028785 140.908 > 49 50 Pr 0.14130574877589 0.97342843048509 0.37662148028785 140.908 > 49 51 Pr 0.14130574877589 0.47342843048509 0.87662148028785 140.908 > 49 52 Pr 0.14130574877589 0.97342843048509 0.87662148028785 140.908 > 49 53 Pr 0.85869425122411 0.22342843048509 0.37337851971215 140.908 > 53 54 Pr 0.85869425122411 0.72342843048509 0.37337851971215 140.908 > 53 55 Pr 0.85869425122411 0.22342843048509 0.87337851971215 140.908 > 53 56 Pr 0.85869425122411 0.72342843048509 0.87337851971215 140.908 > 53 57 Pr 0.85869425122411 0.02657156951491 0.12337851971215 140.908 > 57 58 Pr 0.85869425122411 0.52657156951491 0.12337851971215 140.908 > 57 59 Pr 0.85869425122411 0.02657156951491 0.62337851971215 140.908 > 57 60 Pr 0.85869425122411 0.52657156951491 0.62337851971215 140.908 > 57 61 Pr 0.14130574877589 0.27657156951491 0.12662148028785 140.908 > 61 62 Pr 0.14130574877589 0.77657156951491 0.12662148028785 140.908 > 61 63 Pr 0.14130574877589 0.27657156951491 0.62662148028785 140.908 > 61 64 Pr 0.14130574877589 0.77657156951491 0.62662148028785 140.908 > 61 65 Pr 0.57475289724296 0.42602862992713 0.41300012428574 140.908 > 65 66 Pr 0.57475289724296 0.92602862992713 0.41300012428574 140.908 > 65 67 Pr 0.57475289724296 0.42602862992713 0.91300012428574 140.908 > 65 68 Pr 0.57475289724296 0.92602862992713 0.91300012428574 140.908 > 65 69 Pr 0.42524710275703 0.17602862992713 0.33699987571426 140.908 > 69 70 Pr 0.42524710275703 0.67602862992713 0.33699987571426 140.908 > 69 71 Pr 0.42524710275703 0.17602862992713 0.83699987571426 140.908 > 69 72 Pr 0.42524710275703 0.67602862992713 0.83699987571426 140.908 > 69 73 Pr 0.42524710275703 0.07397137007287 0.08699987571426 140.908 > 73 74 Pr 0.42524710275703 0.57397137007287 0.08699987571426 140.908 > 73 75 Pr 0.42524710275703 0.07397137007287 0.58699987571426 140.908 > 73 76 Pr 0.42524710275703 0.57397137007287 0.58699987571426 140.908 > 73 77 Pr 0.57475289724296 0.32397137007287 0.16300012428574 140.908 > 77 78 Pr 0.57475289724296 0.82397137007287 0.16300012428574 140.908 > 77 79 Pr 0.57475289724296 0.32397137007287 0.66300012428574 140.908 > 77 80 Pr 0.57475289724296 0.82397137007287 0.66300012428574 140.908 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6183937 0.0000000 -0.4128932 0.0000000 7.8126847 0.0000000 -0.4128925 0.0000000 7.6621860 -------------------------- Born effective charges -------------------------- 1 O -3.1809053 -0.1760764 0.0930030 -0.2716590 -3.1399749 -0.1648979 -0.0294736 -0.1514088 -2.9581979 2 O -3.1809053 0.1760764 0.0930030 0.2716590 -3.1399749 0.1648979 -0.0294736 0.1514088 -2.9581979 3 O -3.1809053 -0.1760764 0.0930030 -0.2716590 -3.1399749 -0.1648979 -0.0294736 -0.1514088 -2.9581979 4 O -3.1809053 0.1760764 0.0930030 0.2716590 -3.1399749 0.1648979 -0.0294736 0.1514088 -2.9581979 5 Se -2.3513985 -0.2783645 -0.0997394 -0.1533490 -2.7459197 0.2586865 0.0029402 0.4931080 -2.4933060 6 Se -2.6246734 0.1485869 0.4916440 0.2129509 -2.5568688 0.2599764 0.3351466 0.2365355 -2.6456493 7 Se -2.6246734 0.1485869 0.4916440 0.2129509 -2.5568688 0.2599764 0.3351466 0.2365355 -2.6456493 8 Se -2.6246734 -0.1485869 0.4916440 -0.2129509 -2.5568688 -0.2599764 0.3351466 -0.2365355 -2.6456493 9 Se -2.3513985 0.2783645 -0.0997394 0.1533490 -2.7459197 -0.2586865 0.0029402 -0.4931080 -2.4933060 10 Se -2.3513985 -0.2783645 -0.0997394 -0.1533490 -2.7459197 0.2586865 0.0029402 0.4931080 -2.4933060 11 Se -2.3513985 0.2783645 -0.0997394 0.1533490 -2.7459197 -0.2586865 0.0029402 -0.4931080 -2.4933060 12 Se -2.6246734 -0.1485869 0.4916440 -0.2129509 -2.5568688 -0.2599764 0.3351466 -0.2365355 -2.6456493 13 Pr 3.9847190 -0.0887201 -0.1430443 0.1112858 4.3037541 -0.0576869 -0.1158383 -0.1490942 3.8490625 14 Pr 3.9847190 0.0887201 -0.1430443 -0.1112858 4.3037541 0.0576869 -0.1158383 0.1490942 3.8490625 15 Pr 3.9847190 -0.0887201 -0.1430443 0.1112858 4.3037541 -0.0576869 -0.1158383 -0.1490942 3.8490625 16 Pr 3.9847190 0.0887201 -0.1430443 -0.1112858 4.3037541 0.0576869 -0.1158383 0.1490942 3.8490625 17 Pr 4.1722583 -0.2587634 -0.3418632 -0.1375735 4.1390093 0.0215928 -0.1927748 0.0083095 4.2480906 18 Pr 4.1722583 0.2587634 -0.3418632 0.1375735 4.1390093 -0.0215928 -0.1927748 -0.0083095 4.2480906 19 Pr 4.1722583 -0.2587634 -0.3418632 -0.1375735 4.1390093 0.0215928 -0.1927748 0.0083095 4.2480906 20 Pr 4.1722583 0.2587634 -0.3418632 0.1375735 4.1390093 -0.0215928 -0.1927748 -0.0083095 4.2480906 ---------------------------------------------------------------------------- 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 17, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 21, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 49, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 65, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:47:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:47:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.805666430037181 0.000000000000000 0.000000000000000 b 0.000000000000000 7.309248760000000 0.000000000000000 c -1.282205633083536 0.000000000000000 7.211397556226805 Atomic positions (fractional): 1 O 0.61422121490666 0.91511705491363 0.14980654585260 15.999 2 O 0.61422121490666 0.58488294508637 0.64980654585260 15.999 3 O 0.38577878509334 0.08488294508637 0.85019345414740 15.999 4 O 0.38577878509334 0.41511705491363 0.35019345414740 15.999 5 Se 0.07801592929398 0.27859692233663 0.52852382236744 78.960 6 Se 0.68090021855680 0.37218677952995 0.06817300544789 78.960 7 Se 0.31909978144320 0.62781322047005 0.93182699455211 78.960 8 Se 0.68090021855680 0.12781322047005 0.56817300544789 78.960 9 Se 0.92198407070602 0.77859692233663 0.97147617763256 78.960 10 Se 0.92198407070602 0.72140307766337 0.47147617763256 78.960 11 Se 0.07801592929398 0.22140307766337 0.02852382236744 78.960 12 Se 0.31909978144320 0.87218677952995 0.43182699455211 78.960 13 Pr 0.14130574877589 0.94685686097018 0.75324296057570 140.908 14 Pr 0.85869425122411 0.44685686097018 0.74675703942430 140.908 15 Pr 0.85869425122411 0.05314313902982 0.24675703942430 140.908 16 Pr 0.14130574877589 0.55314313902982 0.25324296057570 140.908 17 Pr 0.57475289724296 0.85205725985426 0.82600024857148 140.908 18 Pr 0.42524710275703 0.35205725985426 0.67399975142852 140.908 19 Pr 0.42524710275703 0.14794274014574 0.17399975142852 140.908 20 Pr 0.57475289724296 0.64794274014574 0.32600024857148 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.805666430037181 0.000000000000000 0.000000000000000 b 0.000000000000000 14.618497520000000 0.000000000000000 c -2.564411266167072 0.000000000000000 14.422795112453610 Atomic positions (fractional): 1 O 0.61422121490666 0.45755852745682 0.07490327292630 15.999 > 1 2 O 0.61422121490666 0.95755852745682 0.07490327292630 15.999 > 1 3 O 0.61422121490666 0.45755852745682 0.57490327292630 15.999 > 1 4 O 0.61422121490666 0.95755852745682 0.57490327292630 15.999 > 1 5 O 0.61422121490666 0.29244147254318 0.32490327292630 15.999 > 5 6 O 0.61422121490666 0.79244147254318 0.32490327292630 15.999 > 5 7 O 0.61422121490666 0.29244147254318 0.82490327292630 15.999 > 5 8 O 0.61422121490666 0.79244147254318 0.82490327292630 15.999 > 5 9 O 0.38577878509334 0.04244147254318 0.42509672707370 15.999 > 9 10 O 0.38577878509334 0.54244147254318 0.42509672707370 15.999 > 9 11 O 0.38577878509334 0.04244147254318 0.92509672707370 15.999 > 9 12 O 0.38577878509334 0.54244147254318 0.92509672707370 15.999 > 9 13 O 0.38577878509334 0.20755852745682 0.17509672707370 15.999 > 13 14 O 0.38577878509334 0.70755852745682 0.17509672707370 15.999 > 13 15 O 0.38577878509334 0.20755852745682 0.67509672707370 15.999 > 13 16 O 0.38577878509334 0.70755852745682 0.67509672707370 15.999 > 13 17 Se 0.07801592929398 0.13929846116832 0.26426191118372 78.960 > 17 18 Se 0.07801592929398 0.63929846116832 0.26426191118372 78.960 > 17 19 Se 0.07801592929398 0.13929846116832 0.76426191118372 78.960 > 17 20 Se 0.07801592929398 0.63929846116832 0.76426191118372 78.960 > 17 21 Se 0.68090021855680 0.18609338976498 0.03408650272395 78.960 > 21 22 Se 0.68090021855680 0.68609338976498 0.03408650272395 78.960 > 21 23 Se 0.68090021855680 0.18609338976498 0.53408650272395 78.960 > 21 24 Se 0.68090021855680 0.68609338976498 0.53408650272395 78.960 > 21 25 Se 0.31909978144320 0.31390661023502 0.46591349727605 78.960 > 25 26 Se 0.31909978144320 0.81390661023502 0.46591349727605 78.960 > 25 27 Se 0.31909978144320 0.31390661023502 0.96591349727605 78.960 > 25 28 Se 0.31909978144320 0.81390661023502 0.96591349727605 78.960 > 25 29 Se 0.68090021855680 0.06390661023502 0.28408650272395 78.960 > 29 30 Se 0.68090021855680 0.56390661023502 0.28408650272395 78.960 > 29 31 Se 0.68090021855680 0.06390661023502 0.78408650272395 78.960 > 29 32 Se 0.68090021855680 0.56390661023502 0.78408650272395 78.960 > 29 33 Se 0.92198407070602 0.38929846116832 0.48573808881628 78.960 > 33 34 Se 0.92198407070602 0.88929846116832 0.48573808881628 78.960 > 33 35 Se 0.92198407070602 0.38929846116832 0.98573808881628 78.960 > 33 36 Se 0.92198407070602 0.88929846116832 0.98573808881628 78.960 > 33 37 Se 0.92198407070602 0.36070153883168 0.23573808881628 78.960 > 37 38 Se 0.92198407070602 0.86070153883168 0.23573808881628 78.960 > 37 39 Se 0.92198407070602 0.36070153883168 0.73573808881628 78.960 > 37 40 Se 0.92198407070602 0.86070153883168 0.73573808881628 78.960 > 37 41 Se 0.07801592929398 0.11070153883168 0.01426191118372 78.960 > 41 42 Se 0.07801592929398 0.61070153883168 0.01426191118372 78.960 > 41 43 Se 0.07801592929398 0.11070153883168 0.51426191118372 78.960 > 41 44 Se 0.07801592929398 0.61070153883168 0.51426191118372 78.960 > 41 45 Se 0.31909978144320 0.43609338976498 0.21591349727605 78.960 > 45 46 Se 0.31909978144320 0.93609338976498 0.21591349727605 78.960 > 45 47 Se 0.31909978144320 0.43609338976498 0.71591349727605 78.960 > 45 48 Se 0.31909978144320 0.93609338976498 0.71591349727605 78.960 > 45 49 Pr 0.14130574877589 0.47342843048509 0.37662148028785 140.908 > 49 50 Pr 0.14130574877589 0.97342843048509 0.37662148028785 140.908 > 49 51 Pr 0.14130574877589 0.47342843048509 0.87662148028785 140.908 > 49 52 Pr 0.14130574877589 0.97342843048509 0.87662148028785 140.908 > 49 53 Pr 0.85869425122411 0.22342843048509 0.37337851971215 140.908 > 53 54 Pr 0.85869425122411 0.72342843048509 0.37337851971215 140.908 > 53 55 Pr 0.85869425122411 0.22342843048509 0.87337851971215 140.908 > 53 56 Pr 0.85869425122411 0.72342843048509 0.87337851971215 140.908 > 53 57 Pr 0.85869425122411 0.02657156951491 0.12337851971215 140.908 > 57 58 Pr 0.85869425122411 0.52657156951491 0.12337851971215 140.908 > 57 59 Pr 0.85869425122411 0.02657156951491 0.62337851971215 140.908 > 57 60 Pr 0.85869425122411 0.52657156951491 0.62337851971215 140.908 > 57 61 Pr 0.14130574877589 0.27657156951491 0.12662148028785 140.908 > 61 62 Pr 0.14130574877589 0.77657156951491 0.12662148028785 140.908 > 61 63 Pr 0.14130574877589 0.27657156951491 0.62662148028785 140.908 > 61 64 Pr 0.14130574877589 0.77657156951491 0.62662148028785 140.908 > 61 65 Pr 0.57475289724296 0.42602862992713 0.41300012428574 140.908 > 65 66 Pr 0.57475289724296 0.92602862992713 0.41300012428574 140.908 > 65 67 Pr 0.57475289724296 0.42602862992713 0.91300012428574 140.908 > 65 68 Pr 0.57475289724296 0.92602862992713 0.91300012428574 140.908 > 65 69 Pr 0.42524710275703 0.17602862992713 0.33699987571426 140.908 > 69 70 Pr 0.42524710275703 0.67602862992713 0.33699987571426 140.908 > 69 71 Pr 0.42524710275703 0.17602862992713 0.83699987571426 140.908 > 69 72 Pr 0.42524710275703 0.67602862992713 0.83699987571426 140.908 > 69 73 Pr 0.42524710275703 0.07397137007287 0.08699987571426 140.908 > 73 74 Pr 0.42524710275703 0.57397137007287 0.08699987571426 140.908 > 73 75 Pr 0.42524710275703 0.07397137007287 0.58699987571426 140.908 > 73 76 Pr 0.42524710275703 0.57397137007287 0.58699987571426 140.908 > 73 77 Pr 0.57475289724296 0.32397137007287 0.16300012428574 140.908 > 77 78 Pr 0.57475289724296 0.82397137007287 0.16300012428574 140.908 > 77 79 Pr 0.57475289724296 0.32397137007287 0.66300012428574 140.908 > 77 80 Pr 0.57475289724296 0.82397137007287 0.66300012428574 140.908 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6183937 0.0000000 -0.4128932 0.0000000 7.8126847 0.0000000 -0.4128925 0.0000000 7.6621860 -------------------------- Born effective charges -------------------------- 1 O -3.1809053 -0.1760764 0.0930030 -0.2716590 -3.1399749 -0.1648979 -0.0294736 -0.1514088 -2.9581979 2 O -3.1809053 0.1760764 0.0930030 0.2716590 -3.1399749 0.1648979 -0.0294736 0.1514088 -2.9581979 3 O -3.1809053 -0.1760764 0.0930030 -0.2716590 -3.1399749 -0.1648979 -0.0294736 -0.1514088 -2.9581979 4 O -3.1809053 0.1760764 0.0930030 0.2716590 -3.1399749 0.1648979 -0.0294736 0.1514088 -2.9581979 5 Se -2.3513985 -0.2783645 -0.0997394 -0.1533490 -2.7459197 0.2586865 0.0029402 0.4931080 -2.4933060 6 Se -2.6246734 0.1485869 0.4916440 0.2129509 -2.5568688 0.2599764 0.3351466 0.2365355 -2.6456493 7 Se -2.6246734 0.1485869 0.4916440 0.2129509 -2.5568688 0.2599764 0.3351466 0.2365355 -2.6456493 8 Se -2.6246734 -0.1485869 0.4916440 -0.2129509 -2.5568688 -0.2599764 0.3351466 -0.2365355 -2.6456493 9 Se -2.3513985 0.2783645 -0.0997394 0.1533490 -2.7459197 -0.2586865 0.0029402 -0.4931080 -2.4933060 10 Se -2.3513985 -0.2783645 -0.0997394 -0.1533490 -2.7459197 0.2586865 0.0029402 0.4931080 -2.4933060 11 Se -2.3513985 0.2783645 -0.0997394 0.1533490 -2.7459197 -0.2586865 0.0029402 -0.4931080 -2.4933060 12 Se -2.6246734 -0.1485869 0.4916440 -0.2129509 -2.5568688 -0.2599764 0.3351466 -0.2365355 -2.6456493 13 Pr 3.9847190 -0.0887201 -0.1430443 0.1112858 4.3037541 -0.0576869 -0.1158383 -0.1490942 3.8490625 14 Pr 3.9847190 0.0887201 -0.1430443 -0.1112858 4.3037541 0.0576869 -0.1158383 0.1490942 3.8490625 15 Pr 3.9847190 -0.0887201 -0.1430443 0.1112858 4.3037541 -0.0576869 -0.1158383 -0.1490942 3.8490625 16 Pr 3.9847190 0.0887201 -0.1430443 -0.1112858 4.3037541 0.0576869 -0.1158383 0.1490942 3.8490625 17 Pr 4.1722583 -0.2587634 -0.3418632 -0.1375735 4.1390093 0.0215928 -0.1927748 0.0083095 4.2480906 18 Pr 4.1722583 0.2587634 -0.3418632 0.1375735 4.1390093 -0.0215928 -0.1927748 -0.0083095 4.2480906 19 Pr 4.1722583 -0.2587634 -0.3418632 -0.1375735 4.1390093 0.0215928 -0.1927748 0.0083095 4.2480906 20 Pr 4.1722583 0.2587634 -0.3418632 0.1375735 4.1390093 -0.0215928 -0.1927748 -0.0083095 4.2480906 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 6 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 297, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 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 1.485 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 9.561 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 9.718 ( 0.000 0.000 0.000) 0.000 9.861 ( 0.000 0.000 0.000) 0.000 10.226 ( 0.000 0.000 0.000) 0.000 10.565 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 11.072 ( 0.000 0.000 0.000) 0.000 11.931 ( 0.000 0.000 0.000) 0.000 11.952 ( 0.000 0.000 0.000) 0.000 12.249 ( 0.000 0.000 0.000) 0.000 13.586 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 21.344 0.000 0.349) 21.347 0.447 ( 23.533 0.000 -0.742) 23.545 0.725 ( 37.517 0.000 -2.830) 37.623 1.494 ( 0.885 0.000 -0.541) 1.037 1.654 ( 3.912 0.000 2.358) 4.568 2.002 ( -18.031 0.000 2.315) 18.179 2.288 ( -6.990 0.000 -0.466) 7.005 2.444 ( 2.711 0.000 -1.030) 2.901 2.488 ( -5.108 0.000 5.684) 7.642 2.646 ( 3.522 0.000 -0.737) 3.598 2.676 ( 0.789 0.000 1.453) 1.654 2.874 ( 0.152 0.000 0.721) 0.737 2.969 ( -1.778 0.000 12.409) 12.535 2.974 ( 8.103 0.000 -4.389) 9.215 3.093 ( -5.185 0.000 -1.779) 5.482 3.121 ( -5.569 0.000 -0.423) 5.585 3.213 ( 2.907 0.000 2.830) 4.057 3.336 ( -0.102 0.000 5.221) 5.222 3.361 ( 0.553 0.000 -0.031) 0.554 3.460 ( -0.184 0.000 -0.980) 0.997 3.530 ( -3.091 0.000 -1.903) 3.630 3.551 ( 0.161 0.000 -8.562) 8.563 3.783 ( 2.388 0.000 -2.550) 3.493 3.799 ( -2.208 0.000 4.491) 5.005 3.937 ( -5.927 0.000 -6.574) 8.851 3.966 ( -3.031 0.000 0.231) 3.040 3.988 ( -6.160 0.000 3.556) 7.113 4.189 ( 2.502 0.000 3.090) 3.976 4.251 ( -0.396 0.000 -0.722) 0.824 4.339 ( -0.611 0.000 -2.804) 2.870 4.349 ( 0.296 0.000 3.890) 3.902 4.419 ( 2.642 0.000 -2.485) 3.628 4.484 ( -3.100 0.000 2.201) 3.802 4.541 ( 4.016 0.000 3.785) 5.518 4.587 ( 5.201 0.000 -0.252) 5.207 4.697 ( -0.721 0.000 -0.652) 0.972 4.811 ( 4.606 0.000 -0.968) 4.706 4.902 ( -2.133 0.000 11.132) 11.335 4.974 ( 1.395 0.000 0.932) 1.677 4.979 ( -4.050 0.000 12.155) 12.812 5.070 ( -1.319 0.000 3.241) 3.499 5.171 ( -3.547 0.000 -0.519) 3.585 5.285 ( 5.159 0.000 -16.038) 16.847 5.426 ( 0.762 0.000 0.131) 0.774 5.610 ( -1.139 0.000 0.333) 1.187 5.785 ( 5.252 0.000 -23.904) 24.475 5.793 ( 0.519 0.000 -0.453) 0.689 6.218 ( -0.067 0.000 -0.091) 0.113 9.560 ( -0.107 0.000 -0.095) 0.143 9.711 ( -0.510 0.000 0.044) 0.512 9.862 ( 3.889 0.000 -20.991) 21.348 9.874 ( 2.096 0.000 -7.859) 8.134 10.227 ( 0.090 0.000 -0.007) 0.090 10.563 ( -0.210 0.000 0.186) 0.280 10.634 ( -0.058 0.000 0.249) 0.256 11.890 ( 0.255 0.000 -7.181) 7.185 11.965 ( 1.239 0.000 0.009) 1.239 12.255 ( 0.706 0.000 -0.778) 1.051 12.615 ( -6.094 0.000 30.717) 31.316 13.584 ( -0.180 0.000 -0.343) 0.387 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 21.482 0.000 0.081) 21.483 0.877 ( 21.699 0.000 -0.790) 21.713 1.359 ( 28.010 0.000 -3.022) 28.172 1.495 ( -1.945 0.000 -1.331) 2.357 1.661 ( -7.527 0.000 2.317) 7.875 1.662 ( -16.363 0.000 2.828) 16.605 2.177 ( 0.442 0.000 1.010) 1.103 2.444 ( -3.804 0.000 3.267) 5.014 2.457 ( 0.524 0.000 -0.464) 0.700 2.655 ( -3.991 0.000 0.499) 4.022 2.702 ( 0.682 0.000 2.452) 2.545 2.874 ( -0.692 0.000 1.362) 1.528 2.960 ( -3.660 0.000 4.056) 5.463 3.004 ( -2.540 0.000 -2.920) 3.870 3.040 ( -0.126 0.000 0.982) 0.990 3.075 ( 4.287 0.000 -4.383) 6.131 3.239 ( -4.221 0.000 2.593) 4.954 3.371 ( -0.195 0.000 -0.548) 0.582 3.390 ( 6.256 0.000 3.139) 6.999 3.410 ( -3.980 0.000 -0.319) 3.992 3.488 ( 0.438 0.000 -0.531) 0.688 3.532 ( 0.973 0.000 -8.465) 8.521 3.669 ( -8.962 0.000 3.349) 9.567 3.823 ( -0.918 0.000 -3.722) 3.834 3.861 ( -6.269 0.000 1.077) 6.361 3.894 ( 0.029 0.000 -2.398) 2.398 3.921 ( 1.880 0.000 -0.061) 1.881 4.245 ( -0.155 0.000 -0.519) 0.542 4.253 ( 2.323 0.000 2.992) 3.788 4.314 ( -5.457 0.000 5.650) 7.854 4.324 ( -0.060 0.000 -2.601) 2.602 4.473 ( 1.433 0.000 -0.852) 1.667 4.474 ( 4.149 0.000 -1.034) 4.276 4.635 ( 3.061 0.000 1.002) 3.221 4.667 ( 0.714 0.000 2.102) 2.220 4.743 ( 7.619 0.000 -1.983) 7.873 4.833 ( -3.534 0.000 -0.758) 3.614 4.886 ( 3.092 0.000 -0.012) 3.092 4.991 ( -0.008 0.000 7.555) 7.555 5.001 ( 0.566 0.000 1.973) 2.053 5.050 ( -2.132 0.000 1.631) 2.684 5.073 ( -6.123 0.000 -1.785) 6.378 5.315 ( 1.781 0.000 -4.425) 4.770 5.448 ( 1.278 0.000 -0.321) 1.318 5.588 ( -1.096 0.000 0.296) 1.135 5.802 ( 0.417 0.000 -0.418) 0.590 5.807 ( 2.432 0.000 -7.654) 8.031 6.217 ( -0.047 0.000 -0.090) 0.102 9.558 ( -0.053 0.000 -0.073) 0.090 9.700 ( -0.541 0.000 0.030) 0.541 9.866 ( 2.080 0.000 -10.474) 10.678 9.887 ( 0.498 0.000 0.840) 0.977 10.229 ( 0.093 0.000 -0.016) 0.095 10.559 ( -0.211 0.000 0.188) 0.282 10.634 ( -0.066 0.000 0.231) 0.240 11.869 ( -0.604 0.000 -2.422) 2.496 11.991 ( 1.229 0.000 0.021) 1.229 12.268 ( 0.774 0.000 -0.881) 1.173 12.601 ( -2.607 0.000 10.829) 11.139 13.579 ( -0.183 0.000 -0.346) 0.391 ======================= Grid point 3 (4/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 0.000 -0.000) 0.000 1.191 ( -0.000 0.000 -0.000) 0.000 1.233 ( 0.000 0.000 -0.000) 0.000 1.487 ( 0.000 0.000 0.000) 0.000 1.559 ( 0.000 0.000 -0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 2.263 ( -0.000 0.000 -0.000) 0.000 2.360 ( 0.000 0.000 -0.000) 0.000 2.495 ( -0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.071 ( -0.000 0.000 -0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 -0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 -0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 -0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.778 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 -0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 -0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 -0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 -0.000) 0.000 4.874 ( -0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 -0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.012 ( -0.000 0.000 -0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 -0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.461 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 -0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 9.557 ( 0.000 0.000 0.000) 0.000 9.694 ( 0.000 0.000 -0.000) 0.000 9.868 ( 0.000 0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 10.230 ( 0.000 0.000 0.000) 0.000 10.557 ( 0.000 0.000 -0.000) 0.000 10.634 ( 0.000 0.000 0.000) 0.000 11.858 ( 0.000 0.000 -0.000) 0.000 12.004 ( 0.000 0.000 -0.000) 0.000 12.274 ( 0.000 0.000 0.000) 0.000 12.594 ( 0.000 0.000 0.000) 0.000 13.576 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/88) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 0.000 24.094 0.000) 24.094 0.505 ( 0.000 25.274 0.000) 25.274 0.821 ( 0.000 41.077 0.000) 41.077 1.594 ( 0.000 9.995 0.000) 9.995 1.667 ( 0.000 5.578 0.000) 5.578 2.200 ( 0.000 -5.352 0.000) 5.352 2.359 ( 0.000 3.957 0.000) 3.957 2.377 ( 0.000 2.172 0.000) 2.172 2.531 ( 0.000 -8.844 0.000) 8.844 2.582 ( 0.000 0.612 0.000) 0.612 2.623 ( 0.000 -8.550 0.000) 8.550 2.749 ( 0.000 -9.206 0.000) 9.206 2.786 ( 0.000 -4.167 0.000) 4.167 2.906 ( 0.000 -1.054 0.000) 1.054 3.122 ( 0.000 -5.402 0.000) 5.402 3.192 ( 0.000 -0.627 0.000) 0.627 3.310 ( 0.000 6.439 0.000) 6.439 3.311 ( 0.000 0.190 0.000) 0.190 3.400 ( 0.000 3.082 0.000) 3.082 3.436 ( 0.000 -1.649 0.000) 1.649 3.536 ( 0.000 -2.514 0.000) 2.514 3.596 ( 0.000 1.750 0.000) 1.750 3.775 ( 0.000 2.498 0.000) 2.498 3.849 ( 0.000 0.136 0.000) 0.136 3.906 ( 0.000 -6.131 0.000) 6.131 4.002 ( 0.000 -1.109 0.000) 1.109 4.037 ( 0.000 1.201 0.000) 1.201 4.156 ( 0.000 -0.651 0.000) 0.651 4.188 ( 0.000 -1.025 0.000) 1.025 4.282 ( 0.000 -6.382 0.000) 6.382 4.329 ( 0.000 0.531 0.000) 0.531 4.421 ( 0.000 2.896 0.000) 2.896 4.482 ( 0.000 5.764 0.000) 5.764 4.528 ( 0.000 -0.216 0.000) 0.216 4.547 ( 0.000 5.566 0.000) 5.566 4.704 ( 0.000 -3.063 0.000) 3.063 4.756 ( 0.000 2.492 0.000) 2.492 4.853 ( 0.000 2.726 0.000) 2.726 4.904 ( 0.000 -5.569 0.000) 5.569 5.061 ( 0.000 -2.447 0.000) 2.447 5.073 ( 0.000 0.235 0.000) 0.235 5.238 ( 0.000 4.108 0.000) 4.108 5.267 ( 0.000 0.478 0.000) 0.478 5.401 ( 0.000 -1.787 0.000) 1.787 5.414 ( 0.000 -1.628 0.000) 1.628 5.800 ( 0.000 1.346 0.000) 1.346 6.100 ( 0.000 -0.922 0.000) 0.922 6.192 ( 0.000 -2.987 0.000) 2.987 9.671 ( 0.000 -1.198 0.000) 1.198 9.782 ( 0.000 3.113 0.000) 3.113 9.847 ( 0.000 -1.146 0.000) 1.146 10.082 ( 0.000 -0.774 0.000) 0.774 10.247 ( 0.000 3.163 0.000) 3.163 10.601 ( 0.000 3.722 0.000) 3.722 11.035 ( 0.000 -3.631 0.000) 3.631 11.638 ( 0.000 5.635 0.000) 5.635 11.913 ( 0.000 -17.334 0.000) 17.334 11.961 ( 0.000 2.729 0.000) 2.729 12.581 ( 0.000 15.825 0.000) 15.825 13.557 ( 0.000 -3.016 0.000) 3.016 ======================= Grid point 8 (6/88) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 8.532 17.600 2.870) 19.768 0.643 ( 15.138 18.010 0.886) 23.544 1.134 ( 24.203 29.090 -3.744) 38.027 1.606 ( 1.042 10.263 0.002) 10.315 1.704 ( 3.171 4.879 2.035) 6.165 2.007 ( -14.777 0.655 0.722) 14.809 2.276 ( -8.603 -0.746 1.168) 8.714 2.437 ( -0.382 -1.296 -1.951) 2.374 2.478 ( -1.303 -1.450 3.282) 3.817 2.568 ( 1.793 -7.633 2.256) 8.159 2.685 ( 4.152 0.925 0.120) 4.255 2.744 ( 1.273 -9.447 0.904) 9.575 2.903 ( 5.143 -5.461 1.354) 7.623 2.947 ( 3.565 -2.361 1.380) 4.493 3.070 ( -3.655 -2.824 -0.671) 4.667 3.134 ( -6.513 1.456 -2.589) 7.158 3.277 ( 2.650 1.464 3.208) 4.411 3.319 ( -1.940 0.293 1.604) 2.534 3.423 ( -0.723 3.769 3.189) 4.990 3.450 ( 1.050 -0.259 -1.595) 1.927 3.505 ( -2.159 -1.614 -4.362) 5.128 3.576 ( -0.917 1.441 -2.711) 3.204 3.760 ( -3.526 -0.106 -5.005) 6.123 3.803 ( -1.683 0.638 1.334) 2.240 3.919 ( -1.764 -4.817 1.681) 5.398 3.989 ( -0.867 1.738 -5.130) 5.485 4.002 ( -3.856 0.362 4.585) 6.002 4.118 ( -0.210 -2.192 0.948) 2.397 4.224 ( 0.578 -2.767 0.690) 2.910 4.272 ( 0.202 -3.923 0.618) 3.977 4.302 ( 0.416 -2.331 -3.052) 3.863 4.453 ( -0.757 -0.559 1.292) 1.599 4.502 ( 4.023 3.456 -0.128) 5.305 4.571 ( 2.367 2.564 1.978) 4.011 4.613 ( 1.378 0.316 1.912) 2.378 4.696 ( 3.332 0.010 0.188) 3.337 4.758 ( -0.152 -0.886 2.446) 2.606 4.874 ( -1.950 -3.564 -0.445) 4.087 4.966 ( 4.870 2.985 5.939) 8.240 5.029 ( -3.076 -2.798 3.213) 5.255 5.072 ( 0.179 3.294 -0.367) 3.319 5.234 ( -1.503 3.015 -3.504) 4.861 5.270 ( 2.548 0.963 -5.294) 5.954 5.405 ( 0.560 -1.923 0.196) 2.012 5.468 ( 5.133 -5.598 -1.278) 7.702 5.786 ( -1.682 2.141 -0.892) 2.865 5.977 ( -5.525 5.209 -6.872) 10.241 6.195 ( -0.166 -2.842 0.088) 2.848 9.671 ( -0.364 -0.444 2.109) 2.186 9.733 ( -4.432 6.304 3.372) 8.411 9.862 ( 1.101 -0.765 0.139) 1.348 9.968 ( -2.451 5.613 -18.189) 19.193 10.240 ( 0.034 2.203 -1.050) 2.441 10.591 ( -0.860 2.915 -0.464) 3.074 10.827 ( -6.248 12.590 -1.163) 14.103 11.796 ( 3.189 -6.852 3.417) 8.294 11.907 ( 1.564 -2.519 -14.419) 14.720 12.136 ( 8.505 -21.613 15.846) 28.117 12.557 ( -3.571 14.441 9.615) 17.713 13.587 ( 1.917 -1.928 -1.665) 3.188 ======================= Grid point 9 (7/88) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 18.170 3.231 1.334) 18.503 0.985 ( 19.564 11.067 0.911) 22.496 1.416 ( -1.990 4.036 -2.743) 5.270 1.639 ( 1.023 11.237 1.295) 11.358 1.690 ( -12.319 6.197 -2.621) 14.037 1.857 ( 10.582 16.026 3.138) 19.459 2.167 ( 0.992 -0.613 0.882) 1.462 2.411 ( -2.164 -2.498 0.408) 3.330 2.487 ( -0.296 1.443 1.222) 1.914 2.596 ( 0.016 -6.601 1.405) 6.749 2.697 ( -3.134 -0.565 3.828) 4.980 2.782 ( 0.251 -7.116 0.579) 7.144 2.950 ( -0.451 -0.723 2.892) 3.015 2.989 ( -0.882 -1.453 0.472) 1.764 3.027 ( -0.230 -1.112 -2.592) 2.829 3.058 ( 2.863 0.386 -5.681) 6.373 3.291 ( -2.112 0.796 3.036) 3.783 3.371 ( -2.556 -2.125 -0.411) 3.349 3.380 ( 3.648 -0.457 2.360) 4.369 3.427 ( -2.025 1.315 -1.747) 2.980 3.449 ( -2.324 -0.294 -0.618) 2.422 3.547 ( -1.709 -0.878 -2.421) 3.091 3.647 ( -3.501 1.950 -2.291) 4.616 3.792 ( -0.611 -2.225 -1.235) 2.617 3.844 ( -3.757 0.023 -1.586) 4.078 3.899 ( -6.526 3.207 1.310) 7.389 4.027 ( 3.764 2.484 -0.884) 4.595 4.138 ( 1.089 -7.913 3.008) 8.535 4.223 ( -1.102 -3.712 -1.209) 4.056 4.254 ( -0.788 -3.587 0.666) 3.733 4.342 ( 2.731 -4.138 -2.608) 5.603 4.426 ( -1.795 2.864 0.737) 3.459 4.564 ( -1.343 -2.811 1.697) 3.548 4.588 ( 4.494 4.548 0.143) 6.395 4.673 ( 0.965 -0.058 1.978) 2.202 4.780 ( 7.130 1.173 1.560) 7.392 4.808 ( 1.247 -2.241 0.895) 2.716 4.842 ( 0.405 -2.916 0.864) 3.068 4.967 ( -2.454 -3.055 2.376) 4.583 5.009 ( -1.928 1.686 3.698) 4.499 5.082 ( -0.337 3.990 -4.688) 6.165 5.162 ( -4.295 6.221 0.883) 7.611 5.310 ( 2.421 -0.033 -3.493) 4.250 5.423 ( 1.077 -2.287 -0.377) 2.556 5.569 ( 4.988 -4.084 0.993) 6.523 5.728 ( -3.169 2.735 -3.168) 5.250 5.917 ( -0.143 3.365 -2.788) 4.372 6.189 ( -0.407 -3.005 0.164) 3.037 9.668 ( -1.222 4.614 4.272) 6.406 9.682 ( -0.849 2.810 -2.242) 3.693 9.882 ( 0.955 -0.359 -0.211) 1.041 9.912 ( 0.200 3.087 -8.342) 8.897 10.240 ( 0.144 1.728 -0.455) 1.793 10.572 ( -0.810 1.370 -0.520) 1.675 10.774 ( -1.046 12.017 1.094) 12.112 11.838 ( 0.758 -7.495 3.926) 8.495 11.884 ( 0.177 -0.958 -7.786) 7.846 12.272 ( 3.542 -22.498 2.809) 22.948 12.525 ( -2.715 15.228 7.249) 17.082 13.604 ( 0.553 0.262 -1.008) 1.179 ======================= Grid point 10 (8/88) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.000 -9.879 -0.000) 9.879 1.173 ( -0.000 5.907 -0.000) 5.907 1.340 ( -0.000 4.001 0.000) 4.001 1.388 ( 0.000 12.135 -0.000) 12.135 1.644 ( 0.000 9.350 0.000) 9.350 2.068 ( -0.000 21.218 0.000) 21.218 2.243 ( -0.000 0.167 -0.000) 0.167 2.358 ( 0.000 -0.436 -0.000) 0.436 2.503 ( -0.000 0.477 0.000) 0.477 2.538 ( 0.000 -2.535 -0.000) 2.535 2.669 ( 0.000 -2.269 0.000) 2.269 2.771 ( 0.000 -8.121 0.000) 8.121 2.939 ( 0.000 1.256 -0.000) 1.256 2.981 ( 0.000 1.448 0.000) 1.448 3.046 ( -0.000 -2.009 0.000) 2.009 3.086 ( -0.000 -1.158 0.000) 1.158 3.257 ( 0.000 5.987 0.000) 5.987 3.301 ( 0.000 -3.588 0.000) 3.588 3.391 ( 0.000 2.207 -0.000) 2.207 3.431 ( 0.000 -8.499 0.000) 8.499 3.494 ( 0.000 -1.736 0.000) 1.736 3.504 ( -0.000 -3.937 -0.000) 3.937 3.614 ( 0.000 7.999 0.000) 7.999 3.770 ( 0.000 -4.353 0.000) 4.353 3.814 ( -0.000 3.763 0.000) 3.763 3.819 ( 0.000 0.920 -0.000) 0.920 4.075 ( 0.000 3.314 -0.000) 3.314 4.160 ( -0.000 -11.033 0.000) 11.033 4.204 ( 0.000 -2.294 0.000) 2.294 4.238 ( -0.000 -4.221 0.000) 4.221 4.378 ( 0.000 6.002 -0.000) 6.002 4.396 ( -0.000 -5.197 0.000) 5.197 4.556 ( 0.000 -4.955 -0.000) 4.955 4.646 ( 0.000 5.238 0.000) 5.238 4.678 ( 0.000 -0.025 0.000) 0.025 4.783 ( 0.000 -0.691 -0.000) 0.691 4.881 ( -0.000 -4.748 0.000) 4.748 4.922 ( 0.000 -4.311 0.000) 4.311 4.949 ( -0.000 -2.605 -0.000) 2.605 4.962 ( 0.000 4.670 -0.000) 4.670 5.025 ( -0.000 3.627 0.000) 3.627 5.129 ( 0.000 7.743 -0.000) 7.743 5.327 ( 0.000 0.372 0.000) 0.372 5.434 ( 0.000 -2.340 0.000) 2.340 5.654 ( 0.000 6.284 0.000) 6.284 5.657 ( -0.000 -6.252 -0.000) 6.252 5.915 ( 0.000 2.708 -0.000) 2.708 6.185 ( 0.000 -3.216 0.000) 3.216 9.661 ( 0.000 8.446 0.000) 8.446 9.675 ( 0.000 -1.083 -0.000) 1.083 9.892 ( 0.000 -0.273 0.000) 0.273 9.901 ( 0.000 2.282 -0.000) 2.282 10.241 ( 0.000 1.654 0.000) 1.654 10.563 ( 0.000 0.664 0.000) 0.664 10.768 ( 0.000 11.916 0.000) 11.916 11.855 ( 0.000 -8.536 -0.000) 8.536 11.869 ( 0.000 0.089 0.000) 0.089 12.310 ( 0.000 -23.839 -0.000) 23.839 12.510 ( 0.000 17.343 0.000) 17.343 13.607 ( 0.000 0.943 0.000) 0.943 ======================= Grid point 14 (9/88) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 23.170 0.000) 23.170 0.977 ( 0.000 22.660 0.000) 22.660 1.567 ( 0.000 32.372 0.000) 32.372 1.750 ( 0.000 1.166 0.000) 1.166 1.829 ( 0.000 13.342 0.000) 13.342 2.101 ( 0.000 -4.016 0.000) 4.016 2.271 ( 0.000 -13.667 0.000) 13.667 2.398 ( 0.000 -0.430 0.000) 0.430 2.432 ( 0.000 -6.861 0.000) 6.861 2.477 ( 0.000 1.063 0.000) 1.063 2.594 ( 0.000 -0.280 0.000) 0.280 2.646 ( 0.000 1.352 0.000) 1.352 2.703 ( 0.000 -3.446 0.000) 3.446 2.870 ( 0.000 -2.079 0.000) 2.079 3.014 ( 0.000 -4.789 0.000) 4.789 3.157 ( 0.000 -1.838 0.000) 1.838 3.299 ( 0.000 -2.290 0.000) 2.290 3.388 ( 0.000 1.478 0.000) 1.478 3.427 ( 0.000 -1.727 0.000) 1.727 3.468 ( 0.000 4.570 0.000) 4.570 3.512 ( 0.000 0.259 0.000) 0.259 3.620 ( 0.000 0.763 0.000) 0.763 3.684 ( 0.000 -12.344 0.000) 12.344 3.829 ( 0.000 -1.071 0.000) 1.071 3.854 ( 0.000 0.003 0.000) 0.003 3.912 ( 0.000 -7.885 0.000) 7.885 4.039 ( 0.000 -1.120 0.000) 1.120 4.148 ( 0.000 0.232 0.000) 0.232 4.177 ( 0.000 -3.815 0.000) 3.815 4.207 ( 0.000 3.337 0.000) 3.337 4.403 ( 0.000 7.108 0.000) 7.108 4.415 ( 0.000 -3.396 0.000) 3.396 4.539 ( 0.000 1.033 0.000) 1.033 4.567 ( 0.000 4.224 0.000) 4.224 4.654 ( 0.000 -0.972 0.000) 0.972 4.657 ( 0.000 4.366 0.000) 4.366 4.789 ( 0.000 0.560 0.000) 0.560 4.831 ( 0.000 -2.044 0.000) 2.044 4.918 ( 0.000 -1.537 0.000) 1.537 5.064 ( 0.000 6.445 0.000) 6.445 5.087 ( 0.000 1.073 0.000) 1.073 5.159 ( 0.000 -9.180 0.000) 9.180 5.304 ( 0.000 -0.941 0.000) 0.941 5.406 ( 0.000 -1.087 0.000) 1.087 5.410 ( 0.000 6.992 0.000) 6.992 5.850 ( 0.000 3.782 0.000) 3.782 6.071 ( 0.000 -2.075 0.000) 2.075 6.093 ( 0.000 -7.332 0.000) 7.332 9.675 ( 0.000 1.561 0.000) 1.561 9.821 ( 0.000 -1.641 0.000) 1.641 9.832 ( 0.000 2.121 0.000) 2.121 10.029 ( 0.000 -4.092 0.000) 4.092 10.358 ( 0.000 7.566 0.000) 7.566 10.695 ( 0.000 4.518 0.000) 4.518 10.955 ( 0.000 -2.977 0.000) 2.977 11.569 ( 0.000 -16.165 0.000) 16.165 11.796 ( 0.000 8.262 0.000) 8.262 12.018 ( 0.000 2.469 0.000) 2.469 12.868 ( 0.000 13.542 0.000) 13.542 13.466 ( 0.000 -6.317 0.000) 6.317 ======================= Grid point 15 (10/88) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.075 22.619 -0.014) 22.619 1.036 ( 8.705 21.098 1.288) 22.859 1.635 ( 0.793 15.274 -0.152) 15.296 1.796 ( 3.586 6.752 0.871) 7.695 1.869 ( 6.542 13.488 0.881) 15.016 2.024 ( -4.872 1.464 -2.464) 5.653 2.243 ( -4.532 -3.385 -0.599) 5.688 2.331 ( -3.942 -8.055 3.671) 9.690 2.416 ( 0.728 -3.880 4.524) 6.005 2.496 ( 2.368 1.221 -2.230) 3.474 2.629 ( -0.086 0.377 1.030) 1.100 2.708 ( 4.371 1.383 0.556) 4.618 2.777 ( 6.916 -7.332 0.265) 10.083 2.886 ( 1.581 -3.369 -0.545) 3.761 3.005 ( 0.123 -3.227 -0.908) 3.355 3.132 ( -2.274 -2.804 -0.786) 3.695 3.253 ( -3.661 0.126 -0.807) 3.751 3.361 ( -1.345 1.870 -0.604) 2.382 3.435 ( -0.663 -0.811 -3.342) 3.503 3.492 ( -0.605 0.248 -3.160) 3.227 3.507 ( 1.878 3.180 3.093) 4.817 3.588 ( -2.268 -0.023 2.168) 3.137 3.720 ( 2.213 -11.302 -0.958) 11.557 3.792 ( -3.775 -0.317 -1.073) 3.937 3.816 ( -0.729 -0.356 -1.644) 1.833 3.942 ( -0.314 -5.903 0.457) 5.929 4.031 ( -0.356 0.204 0.546) 0.683 4.087 ( -2.717 -0.596 -1.410) 3.118 4.165 ( -1.536 -2.338 1.058) 2.991 4.211 ( -2.983 -0.552 1.388) 3.336 4.307 ( -3.182 1.948 -2.763) 4.642 4.459 ( -3.829 0.174 2.532) 4.594 4.533 ( 6.302 -0.594 -0.678) 6.366 4.591 ( -1.375 0.620 1.324) 2.006 4.657 ( 2.641 5.322 0.704) 5.982 4.701 ( 3.289 -0.003 -1.217) 3.507 4.764 ( -2.705 0.027 3.018) 4.053 4.831 ( -0.300 -0.327 1.748) 1.803 4.922 ( -1.812 -5.240 1.930) 5.871 5.074 ( -0.195 3.823 3.033) 4.884 5.128 ( 4.884 0.988 -4.956) 7.028 5.202 ( 4.226 -3.306 -2.915) 6.107 5.317 ( 0.977 -0.246 0.817) 1.297 5.383 ( -0.869 2.032 -1.585) 2.719 5.443 ( 2.763 3.614 0.982) 4.654 5.842 ( -0.869 3.521 -0.270) 3.637 6.019 ( -3.762 0.053 -2.555) 4.547 6.097 ( -0.032 -7.250 0.502) 7.267 9.676 ( 0.114 1.548 0.018) 1.553 9.814 ( -0.882 1.822 2.415) 3.152 9.844 ( 1.061 -0.483 -0.089) 1.170 9.997 ( -2.047 -1.872 -4.310) 5.125 10.339 ( -1.024 7.505 -2.166) 7.878 10.664 ( -2.658 3.399 -1.291) 4.504 10.961 ( 0.116 2.155 4.361) 4.865 11.611 ( 4.048 -19.376 -4.186) 20.232 11.787 ( -0.836 5.132 -0.008) 5.199 12.016 ( -1.116 1.086 4.468) 4.731 12.860 ( -0.931 14.849 2.233) 15.045 13.502 ( 3.178 -6.507 -1.571) 7.410 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 6.230 15.853 0.583) 17.044 1.259 ( 13.324 15.862 1.192) 20.750 1.527 ( -9.773 7.439 -1.774) 12.410 1.759 ( -6.558 3.794 1.666) 7.757 1.919 ( -4.946 8.549 -1.755) 10.032 2.071 ( 5.500 -0.421 1.026) 5.610 2.244 ( 9.925 8.766 1.846) 13.370 2.355 ( 1.786 0.633 1.581) 2.468 2.437 ( 1.881 -6.511 0.520) 6.797 2.518 ( 0.143 -0.796 -1.097) 1.363 2.630 ( -0.249 0.410 2.505) 2.550 2.723 ( -2.816 -1.768 3.807) 5.055 2.915 ( 3.423 -5.965 -1.212) 6.983 2.935 ( 6.537 0.315 0.871) 6.602 3.020 ( 0.129 0.628 -3.580) 3.637 3.092 ( 0.923 -2.900 -2.190) 3.750 3.196 ( -1.176 -0.877 -1.120) 1.846 3.346 ( -4.728 0.686 -0.834) 4.850 3.379 ( 1.057 -0.968 -1.112) 1.814 3.453 ( -1.440 1.552 -3.154) 3.798 3.520 ( -5.241 -0.231 0.120) 5.247 3.548 ( -2.342 6.257 5.301) 8.529 3.693 ( -1.463 1.062 -4.031) 4.418 3.757 ( -0.934 -5.413 0.587) 5.525 3.818 ( 1.031 -2.149 -0.084) 2.385 3.904 ( -1.798 -7.193 0.442) 7.427 3.999 ( -4.247 6.164 -0.991) 7.551 4.072 ( 0.463 -2.987 -0.324) 3.040 4.132 ( -0.487 -5.039 0.490) 5.087 4.170 ( -0.050 -5.133 0.165) 5.136 4.263 ( -0.352 -1.602 -3.378) 3.755 4.408 ( -3.937 -4.301 4.316) 7.254 4.562 ( -1.492 0.591 0.442) 1.665 4.646 ( 5.123 0.256 -0.766) 5.186 4.702 ( 0.157 1.345 2.366) 2.726 4.730 ( 0.782 -4.310 2.040) 4.832 4.777 ( 4.072 0.555 -2.284) 4.702 4.822 ( -1.354 1.492 3.057) 3.662 4.901 ( -1.022 -2.622 1.999) 3.452 5.073 ( -0.461 3.962 1.141) 4.149 5.130 ( -1.768 -1.033 -3.994) 4.488 5.285 ( 2.573 5.954 -1.159) 6.589 5.335 ( 1.528 1.595 -1.184) 2.506 5.371 ( -0.097 -1.214 -0.168) 1.229 5.532 ( 5.570 1.678 1.026) 5.907 5.809 ( -2.543 3.706 -0.943) 4.593 5.953 ( -1.724 0.767 -1.954) 2.717 6.095 ( -0.271 -6.401 0.644) 6.439 9.678 ( 0.079 1.647 -0.066) 1.650 9.808 ( -0.695 4.393 2.753) 5.230 9.866 ( 1.073 -1.343 -0.060) 1.720 9.947 ( -1.236 0.073 -4.372) 4.544 10.320 ( -0.330 6.624 -1.309) 6.760 10.608 ( -2.302 1.816 -0.973) 3.089 10.984 ( 0.512 7.380 3.917) 8.371 11.662 ( 2.752 -21.526 -5.416) 22.366 11.771 ( -0.852 1.391 1.319) 2.098 12.005 ( -1.276 -1.776 3.667) 4.270 12.856 ( -0.268 16.596 1.674) 16.682 13.549 ( 1.934 -5.861 -1.180) 6.284 ======================= Grid point 17 (12/88) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.000 6.810 0.000) 6.810 1.368 ( -0.000 12.634 0.000) 12.634 1.494 ( -0.000 9.904 0.000) 9.904 1.597 ( 0.000 9.358 -0.000) 9.358 1.866 ( 0.000 7.967 0.000) 7.967 2.131 ( -0.000 -5.122 -0.000) 5.122 2.327 ( 0.000 -2.346 -0.000) 2.346 2.447 ( -0.000 -2.200 -0.000) 2.200 2.471 ( 0.000 0.061 0.000) 0.061 2.498 ( -0.000 5.702 0.000) 5.702 2.635 ( 0.000 -0.963 0.000) 0.963 2.681 ( 0.000 1.403 -0.000) 1.403 2.953 ( -0.000 -0.946 0.000) 0.946 2.984 ( 0.000 -4.036 -0.000) 4.036 3.031 ( 0.000 3.561 0.000) 3.561 3.122 ( -0.000 4.895 -0.000) 4.895 3.201 ( 0.000 -4.883 -0.000) 4.883 3.248 ( 0.000 -1.061 0.000) 1.061 3.422 ( 0.000 -4.300 0.000) 4.300 3.435 ( -0.000 2.067 0.000) 2.067 3.455 ( 0.000 -1.846 -0.000) 1.846 3.477 ( 0.000 10.401 0.000) 10.401 3.692 ( 0.000 -3.425 0.000) 3.425 3.746 ( 0.000 3.708 0.000) 3.708 3.826 ( 0.000 -1.246 0.000) 1.246 3.895 ( 0.000 -12.106 -0.000) 12.106 3.935 ( 0.000 6.793 0.000) 6.793 4.078 ( 0.000 -3.043 0.000) 3.043 4.153 ( -0.000 -4.991 0.000) 4.991 4.158 ( 0.000 -2.938 -0.000) 2.938 4.279 ( 0.000 -6.607 -0.000) 6.607 4.349 ( 0.000 -6.143 0.000) 6.143 4.546 ( 0.000 1.556 -0.000) 1.556 4.699 ( -0.000 0.001 0.000) 0.001 4.708 ( 0.000 -1.295 -0.000) 1.295 4.750 ( 0.000 -5.288 0.000) 5.288 4.797 ( 0.000 2.997 0.000) 2.997 4.838 ( 0.000 -3.183 -0.000) 3.183 4.891 ( -0.000 -0.735 0.000) 0.735 5.070 ( 0.000 5.496 0.000) 5.496 5.094 ( 0.000 1.574 0.000) 1.574 5.296 ( 0.000 8.782 -0.000) 8.782 5.354 ( 0.000 2.615 -0.000) 2.615 5.373 ( 0.000 -3.764 0.000) 3.764 5.604 ( 0.000 0.510 0.000) 0.510 5.768 ( 0.000 4.189 0.000) 4.189 5.937 ( 0.000 0.221 -0.000) 0.221 6.093 ( 0.000 -5.822 0.000) 5.822 9.679 ( 0.000 1.757 0.000) 1.757 9.806 ( 0.000 5.329 -0.000) 5.329 9.877 ( 0.000 -1.408 0.000) 1.408 9.927 ( 0.000 0.204 -0.000) 0.204 10.315 ( 0.000 6.219 0.000) 6.219 10.583 ( 0.000 1.120 0.000) 1.120 10.997 ( 0.000 9.110 0.000) 9.110 11.678 ( 0.000 -22.023 -0.000) 22.023 11.766 ( -0.000 0.351 0.000) 0.351 11.998 ( 0.000 -3.179 0.000) 3.179 12.857 ( 0.000 17.250 0.000) 17.250 13.565 ( 0.000 -5.383 0.000) 5.383 ======================= Grid point 21 (13/88) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 18.751 0.000) 18.751 1.389 ( 0.000 20.465 0.000) 20.465 1.643 ( 0.000 -9.972 0.000) 9.972 1.763 ( 0.000 -15.057 0.000) 15.057 2.053 ( 0.000 8.173 0.000) 8.173 2.069 ( 0.000 0.996 0.000) 0.996 2.246 ( 0.000 -3.754 0.000) 3.754 2.334 ( 0.000 -6.713 0.000) 6.713 2.400 ( 0.000 22.677 0.000) 22.677 2.514 ( 0.000 2.042 0.000) 2.042 2.538 ( 0.000 -3.310 0.000) 3.310 2.691 ( 0.000 -0.327 0.000) 0.327 2.745 ( 0.000 3.362 0.000) 3.362 2.809 ( 0.000 -5.673 0.000) 5.673 2.992 ( 0.000 4.480 0.000) 4.480 3.149 ( 0.000 1.986 0.000) 1.986 3.186 ( 0.000 -12.267 0.000) 12.267 3.255 ( 0.000 -9.750 0.000) 9.750 3.433 ( 0.000 3.728 0.000) 3.728 3.504 ( 0.000 -0.752 0.000) 0.752 3.530 ( 0.000 0.775 0.000) 0.775 3.543 ( 0.000 -3.081 0.000) 3.081 3.650 ( 0.000 3.227 0.000) 3.227 3.738 ( 0.000 -6.019 0.000) 6.019 3.822 ( 0.000 -0.904 0.000) 0.904 3.837 ( 0.000 -1.654 0.000) 1.654 4.040 ( 0.000 2.004 0.000) 2.004 4.103 ( 0.000 -3.804 0.000) 3.804 4.169 ( 0.000 2.193 0.000) 2.193 4.232 ( 0.000 -3.061 0.000) 3.061 4.401 ( 0.000 4.077 0.000) 4.077 4.483 ( 0.000 -2.173 0.000) 2.173 4.606 ( 0.000 6.709 0.000) 6.709 4.656 ( 0.000 0.828 0.000) 0.828 4.670 ( 0.000 5.404 0.000) 5.404 4.725 ( 0.000 3.053 0.000) 3.053 4.782 ( 0.000 -2.790 0.000) 2.790 4.798 ( 0.000 -2.127 0.000) 2.127 4.847 ( 0.000 -0.942 0.000) 0.942 4.955 ( 0.000 -9.982 0.000) 9.982 5.131 ( 0.000 2.864 0.000) 2.864 5.178 ( 0.000 0.684 0.000) 0.684 5.273 ( 0.000 1.773 0.000) 1.773 5.352 ( 0.000 -4.101 0.000) 4.101 5.636 ( 0.000 13.859 0.000) 13.859 5.891 ( 0.000 -9.489 0.000) 9.489 5.946 ( 0.000 1.917 0.000) 1.917 6.018 ( 0.000 -3.402 0.000) 3.402 9.723 ( 0.000 3.015 0.000) 3.015 9.780 ( 0.000 -2.578 0.000) 2.578 9.876 ( 0.000 2.690 0.000) 2.690 9.944 ( 0.000 -4.177 0.000) 4.177 10.521 ( 0.000 8.698 0.000) 8.698 10.677 ( 0.000 -6.276 0.000) 6.276 11.021 ( 0.000 9.727 0.000) 9.727 11.266 ( 0.000 -14.416 0.000) 14.416 11.951 ( 0.000 6.613 0.000) 6.613 12.032 ( 0.000 -1.502 0.000) 1.502 13.111 ( 0.000 11.369 0.000) 11.369 13.313 ( 0.000 -9.222 0.000) 9.222 ======================= Grid point 22 (14/88) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.066 19.099 -0.818) 19.117 1.438 ( 5.209 19.341 -0.300) 20.032 1.663 ( 1.648 -9.048 0.011) 9.197 1.776 ( -0.136 -11.825 -0.166) 11.827 1.954 ( -5.307 0.995 -0.460) 5.419 2.038 ( -4.955 -3.460 1.382) 6.199 2.260 ( 1.931 3.757 3.033) 5.200 2.356 ( -0.143 -3.175 4.292) 5.341 2.428 ( 1.436 14.355 3.384) 14.818 2.537 ( 3.450 5.804 -2.561) 7.222 2.603 ( 4.219 -7.335 -1.088) 8.532 2.681 ( -0.074 -1.024 1.016) 1.444 2.807 ( 7.128 5.614 0.367) 9.081 2.853 ( 2.235 1.274 -3.940) 4.705 2.949 ( -1.107 -0.949 -0.311) 1.491 3.065 ( -4.967 -5.071 0.722) 7.135 3.237 ( 1.787 -1.159 -0.743) 2.256 3.316 ( 5.126 -10.164 -1.570) 11.492 3.415 ( -1.124 3.170 -2.047) 3.937 3.480 ( -1.727 -2.264 -2.715) 3.935 3.527 ( 0.267 0.694 0.395) 0.841 3.563 ( 1.402 -2.522 1.030) 3.064 3.637 ( -1.117 5.004 -1.246) 5.277 3.755 ( 1.161 -5.077 -2.522) 5.787 3.789 ( -2.615 -0.558 -1.412) 3.024 3.827 ( -1.156 -4.227 1.783) 4.731 4.027 ( -1.022 1.144 1.683) 2.277 4.069 ( -2.760 -2.353 0.960) 3.752 4.168 ( -0.682 2.261 -0.423) 2.399 4.213 ( -3.387 -1.050 1.885) 4.016 4.355 ( -4.248 3.393 -2.259) 5.887 4.432 ( -6.514 -3.160 0.365) 7.250 4.551 ( -0.732 3.944 1.304) 4.218 4.641 ( -2.497 -1.807 0.919) 3.216 4.669 ( -0.625 1.984 2.790) 3.480 4.731 ( -1.997 -0.036 0.518) 2.063 4.775 ( 1.269 1.576 -0.959) 2.239 4.826 ( 1.872 -3.597 1.327) 4.267 4.870 ( 3.176 4.607 0.283) 5.603 5.005 ( 3.555 -8.240 -2.063) 9.208 5.144 ( 1.227 3.614 0.004) 3.816 5.214 ( 3.499 -2.290 -1.680) 4.507 5.301 ( 2.835 2.724 0.358) 3.948 5.370 ( 2.040 -2.971 -1.089) 3.765 5.644 ( 0.370 13.347 1.168) 13.403 5.877 ( -1.881 -6.495 0.732) 6.801 5.950 ( 0.721 -1.310 -0.433) 1.557 5.995 ( -1.723 -2.320 -1.246) 3.147 9.727 ( 0.456 3.272 -0.457) 3.335 9.789 ( 0.997 -2.803 -0.384) 2.999 9.876 ( -0.139 2.612 1.007) 2.803 9.937 ( -0.620 -3.488 -0.223) 3.549 10.505 ( -1.370 8.796 -0.646) 8.926 10.653 ( -2.290 -5.198 -0.249) 5.686 11.043 ( 1.674 8.358 2.495) 8.881 11.275 ( 0.952 -14.765 -0.877) 14.822 11.922 ( -2.535 6.809 -0.597) 7.291 12.013 ( -1.965 -2.168 0.638) 2.995 13.125 ( 1.242 12.280 0.410) 12.349 13.341 ( 2.617 -9.783 -0.718) 10.152 ======================= Grid point 23 (15/88) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.601 18.937 -0.961) 18.971 1.560 ( 6.933 12.426 -0.458) 14.237 1.674 ( -3.484 4.141 1.498) 5.615 1.710 ( -2.367 -9.142 -1.037) 9.500 1.905 ( -1.571 -2.835 -3.162) 4.528 1.979 ( -0.092 -8.477 1.205) 8.563 2.310 ( 0.412 0.305 6.781) 6.801 2.320 ( -3.692 -1.646 1.578) 4.339 2.489 ( 3.453 6.990 5.796) 9.715 2.596 ( 1.880 4.034 -1.007) 4.563 2.637 ( 2.454 -1.379 1.226) 3.071 2.753 ( 4.815 -0.658 -0.355) 4.873 2.777 ( -4.265 0.738 -5.905) 7.321 2.940 ( -3.975 -8.321 -2.272) 9.498 3.014 ( 11.677 6.343 2.418) 13.507 3.064 ( 6.098 1.065 1.182) 6.302 3.258 ( 1.138 4.726 -2.815) 5.617 3.356 ( -0.108 -1.969 -4.734) 5.128 3.386 ( -1.348 1.818 -2.011) 3.028 3.447 ( -1.245 -3.686 -0.313) 3.903 3.543 ( -3.725 1.611 -0.791) 4.135 3.569 ( 3.513 -5.794 1.435) 6.926 3.634 ( 1.778 3.277 -0.060) 3.729 3.723 ( -3.660 0.134 -0.456) 3.690 3.762 ( 0.113 -4.275 -2.234) 4.825 3.813 ( -0.529 -2.733 0.691) 2.868 4.020 ( -1.671 -1.330 -0.006) 2.136 4.029 ( -0.591 -2.906 0.266) 2.977 4.107 ( -6.011 2.763 0.961) 6.685 4.139 ( -2.451 1.408 2.123) 3.535 4.249 ( -5.458 0.187 -1.606) 5.693 4.309 ( -5.508 -4.991 2.270) 7.772 4.565 ( 0.586 0.461 0.877) 1.151 4.603 ( -1.105 -3.328 1.833) 3.957 4.671 ( -0.111 0.342 1.022) 1.084 4.700 ( -0.566 -1.827 -0.609) 2.007 4.809 ( 1.733 1.741 -1.046) 2.670 4.839 ( -0.222 -1.169 0.193) 1.206 4.937 ( 2.751 5.910 1.017) 6.598 5.051 ( 1.873 -5.224 -0.967) 5.634 5.167 ( 0.994 4.802 -0.135) 4.906 5.265 ( 1.781 -4.922 -0.323) 5.244 5.374 ( 4.244 3.427 -0.824) 5.517 5.415 ( 2.638 0.107 -1.157) 2.883 5.651 ( 0.032 9.793 1.217) 9.869 5.823 ( -3.717 -4.661 0.249) 5.967 5.953 ( -0.450 -0.194 -1.099) 1.203 5.980 ( 0.732 -3.281 0.001) 3.362 9.735 ( 0.509 3.820 -0.505) 3.887 9.809 ( 1.085 -3.288 -0.457) 3.492 9.878 ( -0.079 2.302 1.306) 2.648 9.922 ( -0.724 -2.107 -0.411) 2.266 10.478 ( -1.028 8.494 -0.416) 8.566 10.604 ( -2.290 -3.329 -0.348) 4.056 11.089 ( 1.749 5.953 3.046) 6.912 11.287 ( 0.610 -14.926 -1.483) 15.012 11.872 ( -2.092 6.716 -0.370) 7.044 11.974 ( -1.901 -3.123 0.341) 3.672 13.152 ( 1.223 13.627 0.302) 13.685 13.387 ( 2.077 -10.351 -0.601) 10.574 ======================= Grid point 24 (16/88) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.000 17.062 0.000) 17.062 1.606 ( 0.000 8.591 0.000) 8.591 1.668 ( -0.000 5.610 0.000) 5.610 1.678 ( 0.000 -6.407 -0.000) 6.407 1.874 ( -0.000 1.942 0.000) 1.942 1.995 ( 0.000 -8.050 -0.000) 8.050 2.275 ( 0.000 -2.569 -0.000) 2.569 2.318 ( 0.000 -7.365 0.000) 7.365 2.574 ( -0.000 11.623 -0.000) 11.623 2.604 ( 0.000 4.660 0.000) 4.660 2.681 ( -0.000 1.593 -0.000) 1.593 2.683 ( 0.000 -1.066 0.000) 1.066 2.836 ( -0.000 -7.333 0.000) 7.333 2.865 ( 0.000 -7.260 -0.000) 7.260 3.145 ( 0.000 3.292 -0.000) 3.292 3.164 ( 0.000 0.211 0.000) 0.211 3.285 ( -0.000 8.260 0.000) 8.260 3.331 ( 0.000 4.989 -0.000) 4.989 3.351 ( 0.000 -0.492 -0.000) 0.492 3.422 ( 0.000 -0.578 0.000) 0.578 3.495 ( 0.000 4.605 0.000) 4.605 3.614 ( 0.000 -3.908 -0.000) 3.908 3.650 ( 0.000 -5.266 0.000) 5.266 3.685 ( 0.000 6.189 -0.000) 6.189 3.748 ( 0.000 -5.371 0.000) 5.371 3.817 ( 0.000 -1.213 -0.000) 1.213 3.992 ( -0.000 -2.980 0.000) 2.980 4.006 ( 0.000 -2.965 -0.000) 2.965 4.089 ( -0.000 -2.606 0.000) 2.606 4.092 ( 0.000 -0.836 -0.000) 0.836 4.188 ( 0.000 0.784 -0.000) 0.784 4.259 ( 0.000 -3.723 0.000) 3.723 4.567 ( 0.000 0.812 -0.000) 0.812 4.606 ( 0.000 -4.063 0.000) 4.063 4.668 ( 0.000 -0.603 -0.000) 0.603 4.698 ( 0.000 -2.879 0.000) 2.879 4.825 ( -0.000 0.823 0.000) 0.823 4.834 ( 0.000 0.242 -0.000) 0.242 4.966 ( 0.000 6.158 -0.000) 6.158 5.068 ( 0.000 -3.747 0.000) 3.747 5.176 ( 0.000 5.398 0.000) 5.398 5.280 ( 0.000 -5.177 0.000) 5.177 5.426 ( -0.000 3.324 0.000) 3.324 5.434 ( 0.000 3.747 -0.000) 3.747 5.658 ( 0.000 5.213 0.000) 5.213 5.774 ( 0.000 -4.181 0.000) 4.181 5.947 ( 0.000 1.152 -0.000) 1.152 5.990 ( 0.000 -3.695 0.000) 3.695 9.740 ( 0.000 4.113 0.000) 4.113 9.820 ( 0.000 -3.543 -0.000) 3.543 9.881 ( 0.000 2.014 0.000) 2.014 9.913 ( -0.000 -1.368 -0.000) 1.368 10.467 ( 0.000 8.164 0.000) 8.164 10.579 ( 0.000 -2.504 0.000) 2.504 11.114 ( 0.000 4.910 -0.000) 4.910 11.290 ( 0.000 -14.779 0.000) 14.779 11.851 ( 0.000 6.462 -0.000) 6.462 11.955 ( 0.000 -3.463 0.000) 3.463 13.165 ( 0.000 14.142 0.000) 14.142 13.407 ( 0.000 -10.458 0.000) 10.458 ======================= Grid point 49 (17/88) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -11.160 0.000 20.213) 23.089 0.475 ( -4.949 0.000 23.171) 23.693 0.867 ( -5.735 0.000 42.691) 43.075 1.486 ( -0.924 0.000 0.098) 0.929 1.592 ( 2.952 0.000 -1.249) 3.205 2.276 ( 10.631 0.000 0.358) 10.637 2.365 ( -1.870 0.000 1.252) 2.250 2.370 ( -10.815 0.000 3.814) 11.468 2.527 ( 9.133 0.000 -1.735) 9.296 2.579 ( -0.355 0.000 -2.366) 2.392 2.700 ( 4.935 0.000 -0.630) 4.975 2.820 ( -3.063 0.000 -3.319) 4.516 2.883 ( -4.198 0.000 1.340) 4.407 3.105 ( 6.540 0.000 -6.351) 9.116 3.169 ( -2.840 0.000 1.730) 3.326 3.191 ( 1.878 0.000 -5.894) 6.186 3.257 ( 4.216 0.000 4.414) 6.104 3.348 ( -0.667 0.000 -6.082) 6.119 3.356 ( 8.585 0.000 3.132) 9.139 3.426 ( -1.900 0.000 -2.162) 2.878 3.462 ( -0.698 0.000 -1.224) 1.409 3.567 ( -6.274 0.000 -1.000) 6.353 3.746 ( 1.797 0.000 -2.578) 3.143 3.880 ( -2.277 0.000 5.387) 5.849 3.938 ( -1.553 0.000 -1.249) 1.993 3.994 ( 0.767 0.000 0.084) 0.772 4.116 ( -4.019 0.000 1.699) 4.364 4.175 ( -0.554 0.000 2.085) 2.158 4.248 ( -0.274 0.000 -1.242) 1.272 4.250 ( 5.388 0.000 2.712) 6.032 4.271 ( 3.137 0.000 -5.158) 6.037 4.393 ( 8.183 0.000 -0.288) 8.189 4.412 ( -7.785 0.000 1.812) 7.993 4.453 ( 2.220 0.000 -2.268) 3.173 4.530 ( 3.026 0.000 2.726) 4.073 4.636 ( 1.716 0.000 4.915) 5.206 4.711 ( 0.608 0.000 -0.963) 1.139 4.736 ( -3.408 0.000 -1.003) 3.552 4.925 ( 1.488 0.000 -3.075) 3.416 4.999 ( -3.177 0.000 -0.070) 3.178 5.099 ( 4.842 0.000 0.697) 4.892 5.161 ( 0.255 0.000 -3.701) 3.710 5.399 ( 0.204 0.000 -0.221) 0.301 5.468 ( 2.354 0.000 2.012) 3.097 5.651 ( 0.275 0.000 2.284) 2.300 5.772 ( -0.437 0.000 -1.520) 1.581 5.896 ( -23.508 0.000 -0.758) 23.520 6.163 ( 0.855 0.000 -5.447) 5.514 9.581 ( -0.451 0.000 1.923) 1.976 9.733 ( -0.245 0.000 1.618) 1.636 9.857 ( 0.240 0.000 -0.463) 0.522 10.127 ( -13.901 0.000 -6.772) 15.463 10.439 ( -43.871 0.000 4.497) 44.101 10.485 ( 1.493 0.000 -4.086) 4.351 10.744 ( -1.555 0.000 7.080) 7.249 11.362 ( 34.630 0.000 -7.108) 35.352 11.974 ( -0.309 0.000 2.182) 2.203 12.336 ( -4.180 0.000 5.226) 6.693 12.511 ( 23.275 0.000 2.713) 23.433 13.546 ( 0.285 0.000 -4.084) 4.094 ======================= Grid point 50 (18/88) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 14.465 0.000 9.960) 17.563 0.635 ( 12.398 0.000 15.990) 20.234 1.095 ( 13.272 0.000 31.982) 34.627 1.472 ( 0.244 0.000 -0.812) 0.848 1.689 ( 6.135 0.000 0.836) 6.192 2.106 ( -16.594 0.000 7.944) 18.398 2.311 ( -6.359 0.000 1.984) 6.661 2.401 ( 2.624 0.000 -2.813) 3.848 2.559 ( -6.558 0.000 0.587) 6.584 2.639 ( 5.657 0.000 -0.270) 5.663 2.691 ( 2.673 0.000 0.881) 2.815 2.838 ( 3.724 0.000 -3.069) 4.826 2.930 ( 4.455 0.000 0.466) 4.479 3.084 ( -4.830 0.000 -3.767) 6.125 3.089 ( -5.126 0.000 0.347) 5.137 3.207 ( -2.105 0.000 0.389) 2.140 3.257 ( -4.196 0.000 2.860) 5.078 3.274 ( -1.917 0.000 -13.050) 13.190 3.359 ( 3.533 0.000 2.419) 4.282 3.408 ( 1.472 0.000 -1.494) 2.097 3.462 ( -0.649 0.000 1.206) 1.370 3.462 ( -4.510 0.000 0.347) 4.524 3.793 ( -2.364 0.000 -6.647) 7.055 3.853 ( -2.069 0.000 5.002) 5.413 3.893 ( -0.979 0.000 2.939) 3.098 3.986 ( -2.479 0.000 1.879) 3.111 4.058 ( -5.016 0.000 3.373) 6.044 4.225 ( -1.097 0.000 0.179) 1.111 4.232 ( -0.426 0.000 -1.223) 1.295 4.243 ( 1.902 0.000 -4.995) 5.345 4.332 ( 5.020 0.000 -5.082) 7.144 4.389 ( 3.737 0.000 0.703) 3.803 4.496 ( 0.532 0.000 -1.657) 1.740 4.612 ( 3.950 0.000 3.164) 5.061 4.618 ( -0.846 0.000 3.374) 3.479 4.680 ( -1.835 0.000 -1.921) 2.656 4.784 ( 17.169 0.000 -13.065) 21.575 4.786 ( 5.355 0.000 -0.751) 5.408 4.950 ( 3.491 0.000 -2.621) 4.366 4.963 ( 2.760 0.000 -2.031) 3.426 5.128 ( -2.383 0.000 -3.080) 3.894 5.145 ( -0.618 0.000 2.789) 2.857 5.371 ( -10.612 0.000 5.969) 12.176 5.421 ( -6.086 0.000 6.759) 9.095 5.598 ( 2.826 0.000 0.157) 2.830 5.647 ( -1.675 0.000 2.963) 3.404 5.765 ( 0.488 0.000 -2.373) 2.423 6.161 ( 0.896 0.000 -5.470) 5.543 9.579 ( -0.420 0.000 1.970) 2.014 9.727 ( -0.834 0.000 1.554) 1.763 9.790 ( -6.262 0.000 6.807) 9.249 9.871 ( 1.307 0.000 -0.299) 1.341 10.260 ( -0.955 0.000 3.105) 3.248 10.497 ( 0.899 0.000 -3.025) 3.156 10.737 ( -1.471 0.000 6.228) 6.399 11.714 ( 10.790 0.000 -10.199) 14.847 11.988 ( 0.808 0.000 2.268) 2.408 12.271 ( -3.691 0.000 1.401) 3.948 12.742 ( 1.906 0.000 -2.734) 3.333 13.537 ( 0.392 0.000 -4.363) 4.381 ======================= Grid point 51 (19/88) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 17.308 0.000 4.214) 17.814 0.966 ( 16.690 0.000 8.703) 18.823 1.377 ( 3.903 0.000 -1.541) 4.196 1.541 ( 3.977 0.000 13.952) 14.508 1.731 ( -6.362 0.000 4.271) 7.663 1.875 ( -6.576 0.000 15.966) 17.267 2.188 ( -1.793 0.000 0.400) 1.838 2.421 ( 1.839 0.000 -3.228) 3.715 2.458 ( -5.669 0.000 -3.437) 6.629 2.700 ( -2.142 0.000 3.768) 4.334 2.708 ( -1.593 0.000 -1.567) 2.235 2.847 ( -0.554 0.000 -1.670) 1.759 2.949 ( -6.387 0.000 -4.067) 7.572 3.003 ( -0.086 0.000 3.065) 3.066 3.067 ( 5.322 0.000 2.087) 5.717 3.131 ( -3.375 0.000 5.725) 6.646 3.229 ( 1.771 0.000 -12.191) 12.319 3.239 ( -4.274 0.000 -3.404) 5.463 3.378 ( 1.083 0.000 -3.025) 3.213 3.425 ( -2.753 0.000 1.027) 2.938 3.469 ( 4.519 0.000 2.255) 5.050 3.476 ( 4.551 0.000 1.250) 4.720 3.694 ( -4.605 0.000 -1.075) 4.729 3.814 ( -4.008 0.000 0.809) 4.089 3.904 ( -0.983 0.000 2.043) 2.267 3.918 ( -7.458 0.000 6.302) 9.764 3.963 ( 0.894 0.000 3.586) 3.696 4.225 ( 1.364 0.000 -4.581) 4.780 4.225 ( 0.219 0.000 -1.417) 1.434 4.287 ( 2.928 0.000 -2.460) 3.824 4.384 ( -4.111 0.000 0.634) 4.160 4.437 ( 0.789 0.000 -2.352) 2.481 4.480 ( 4.731 0.000 1.688) 5.023 4.644 ( -0.625 0.000 -4.000) 4.048 4.655 ( -0.907 0.000 0.432) 1.005 4.705 ( 7.128 0.000 -2.471) 7.544 4.821 ( 0.130 0.000 -0.102) 0.165 4.868 ( 3.269 0.000 -1.090) 3.446 4.981 ( -1.542 0.000 -2.345) 2.807 5.072 ( -1.577 0.000 0.561) 1.674 5.082 ( -2.349 0.000 -1.975) 3.069 5.144 ( 0.418 0.000 4.689) 4.708 5.226 ( 1.083 0.000 0.263) 1.114 5.403 ( -0.209 0.000 -1.169) 1.188 5.617 ( -2.069 0.000 2.472) 3.224 5.698 ( 6.227 0.000 -2.457) 6.694 5.772 ( 0.971 0.000 -2.554) 2.732 6.161 ( 1.001 0.000 -5.360) 5.453 9.579 ( -0.327 0.000 2.131) 2.156 9.715 ( -0.856 0.000 1.453) 1.686 9.796 ( 2.696 0.000 1.320) 3.002 9.902 ( 1.901 0.000 0.377) 1.938 10.263 ( -0.022 0.000 2.731) 2.731 10.496 ( 0.112 0.000 -3.034) 3.036 10.733 ( -1.141 0.000 6.185) 6.289 11.826 ( 4.783 0.000 -3.144) 5.724 12.012 ( 0.741 0.000 2.083) 2.211 12.205 ( -2.583 0.000 -5.592) 6.159 12.699 ( -4.729 0.000 2.955) 5.576 13.534 ( 0.807 0.000 -4.187) 4.264 ======================= Grid point 52 (20/88) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.935 0.000 -2.878) 3.026 1.229 ( 1.567 0.000 5.377) 5.601 1.360 ( 3.225 0.000 5.831) 6.663 1.511 ( -3.921 0.000 5.075) 6.413 1.549 ( -5.262 0.000 6.083) 8.044 1.981 ( -2.348 0.000 21.775) 21.902 2.226 ( -2.142 0.000 -3.485) 4.090 2.321 ( -0.804 0.000 -3.951) 4.032 2.481 ( 3.927 0.000 -2.098) 4.453 2.563 ( -6.452 0.000 2.174) 6.809 2.662 ( -1.670 0.000 -4.638) 4.929 2.832 ( -0.357 0.000 -1.991) 2.023 2.872 ( -1.503 0.000 -4.852) 5.079 3.017 ( 0.928 0.000 2.455) 2.625 3.104 ( -2.257 0.000 3.284) 3.985 3.148 ( -0.745 0.000 -0.971) 1.223 3.176 ( 2.992 0.000 3.767) 4.810 3.262 ( 4.520 0.000 -4.904) 6.670 3.393 ( 0.153 0.000 2.270) 2.276 3.426 ( 2.829 0.000 -3.518) 4.515 3.518 ( -0.738 0.000 -0.828) 1.109 3.529 ( -1.663 0.000 1.900) 2.525 3.657 ( 0.941 0.000 4.011) 4.120 3.781 ( 3.103 0.000 -0.101) 3.104 3.819 ( -1.616 0.000 3.960) 4.277 3.929 ( 0.475 0.000 3.319) 3.352 4.016 ( 1.868 0.000 1.998) 2.735 4.218 ( -0.750 0.000 -4.238) 4.304 4.232 ( 0.711 0.000 0.130) 0.722 4.246 ( -6.913 0.000 -0.910) 6.972 4.328 ( 1.840 0.000 -1.107) 2.147 4.475 ( 1.363 0.000 -1.570) 2.079 4.530 ( -1.004 0.000 -0.826) 1.300 4.615 ( -0.692 0.000 -6.208) 6.246 4.656 ( 3.073 0.000 1.805) 3.564 4.814 ( -2.529 0.000 -0.219) 2.538 4.826 ( 5.460 0.000 -5.809) 7.972 4.872 ( -3.923 0.000 -1.806) 4.318 4.923 ( -0.086 0.000 0.339) 0.349 5.000 ( -4.325 0.000 0.503) 4.354 5.076 ( 0.415 0.000 2.172) 2.211 5.100 ( -3.614 0.000 5.979) 6.986 5.319 ( 4.670 0.000 -2.693) 5.391 5.398 ( 0.526 0.000 -2.711) 2.762 5.596 ( -0.785 0.000 1.686) 1.860 5.782 ( 0.926 0.000 -2.237) 2.421 5.802 ( 5.452 0.000 -1.016) 5.546 6.162 ( 1.040 0.000 -5.232) 5.334 9.580 ( -0.328 0.000 2.236) 2.260 9.709 ( -0.277 0.000 1.396) 1.423 9.853 ( 2.377 0.000 -0.442) 2.418 9.953 ( 3.520 0.000 2.559) 4.352 10.278 ( 0.558 0.000 4.419) 4.454 10.484 ( 0.001 0.000 -4.013) 4.013 10.736 ( -0.951 0.000 6.932) 6.996 11.897 ( 2.979 0.000 3.223) 4.388 12.023 ( -0.421 0.000 1.813) 1.861 12.130 ( -1.947 0.000 -15.483) 15.605 12.609 ( -6.008 0.000 4.959) 7.790 13.539 ( 1.110 0.000 -3.732) 3.893 ======================= Grid point 53 (21/88) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -16.697 0.000 9.437) 19.179 0.995 ( -20.283 0.000 9.859) 22.552 1.413 ( -7.035 0.000 -1.635) 7.222 1.598 ( 2.499 0.000 12.716) 12.959 1.640 ( 3.186 0.000 -0.123) 3.189 1.802 ( -9.426 0.000 15.492) 18.134 2.136 ( 2.203 0.000 -3.334) 3.996 2.387 ( 3.357 0.000 -1.577) 3.709 2.454 ( 0.077 0.000 -0.406) 0.413 2.623 ( -0.400 0.000 -5.249) 5.264 2.676 ( 6.059 0.000 1.721) 6.298 2.807 ( -0.922 0.000 -4.058) 4.161 2.829 ( 0.849 0.000 -7.944) 7.989 3.058 ( 2.171 0.000 1.500) 2.638 3.096 ( 0.135 0.000 5.529) 5.531 3.176 ( 2.551 0.000 -2.753) 3.753 3.213 ( -0.853 0.000 7.427) 7.476 3.303 ( 1.730 0.000 -4.052) 4.406 3.341 ( -7.416 0.000 -0.979) 7.480 3.459 ( 3.040 0.000 1.549) 3.412 3.469 ( -1.985 0.000 1.190) 2.315 3.614 ( 8.861 0.000 -1.037) 8.921 3.692 ( 0.874 0.000 5.742) 5.809 3.854 ( 2.505 0.000 -0.266) 2.519 3.892 ( 5.874 0.000 1.651) 6.101 3.959 ( 2.042 0.000 4.056) 4.541 3.984 ( -5.524 0.000 3.906) 6.766 4.172 ( -2.169 0.000 -3.893) 4.456 4.184 ( 1.923 0.000 -7.223) 7.475 4.255 ( 0.949 0.000 1.616) 1.874 4.342 ( -0.047 0.000 -1.666) 1.667 4.471 ( -0.889 0.000 -0.887) 1.256 4.494 ( -1.513 0.000 0.792) 1.707 4.573 ( -1.134 0.000 -6.747) 6.841 4.649 ( -7.837 0.000 2.836) 8.334 4.770 ( -3.834 0.000 0.186) 3.838 4.819 ( 6.967 0.000 -2.738) 7.486 4.858 ( -1.075 0.000 -2.806) 3.005 4.896 ( -7.868 0.000 -2.009) 8.120 4.950 ( 1.288 0.000 -2.056) 2.426 5.066 ( -1.743 0.000 3.085) 3.543 5.099 ( 1.910 0.000 0.375) 1.946 5.375 ( 2.053 0.000 0.702) 2.169 5.405 ( 0.778 0.000 -1.804) 1.965 5.601 ( 0.795 0.000 1.227) 1.462 5.789 ( 0.411 0.000 -1.592) 1.644 5.907 ( 5.853 0.000 1.799) 6.123 6.164 ( 0.990 0.000 -5.201) 5.295 9.581 ( -0.336 0.000 2.222) 2.247 9.714 ( 0.302 0.000 1.409) 1.441 9.871 ( 0.059 0.000 -0.813) 0.815 10.062 ( 6.530 0.000 2.723) 7.075 10.334 ( 4.022 0.000 11.349) 12.041 10.474 ( 0.538 0.000 -4.944) 4.973 10.742 ( -1.025 0.000 7.675) 7.743 11.937 ( -4.176 0.000 -4.496) 6.136 12.009 ( -1.498 0.000 1.730) 2.288 12.028 ( 1.066 0.000 -16.827) 16.861 12.509 ( -6.475 0.000 6.642) 9.276 13.548 ( 0.994 0.000 -3.461) 3.601 ======================= Grid point 54 (22/88) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -16.337 0.000 18.373) 24.586 0.657 ( -18.747 0.000 16.588) 25.033 1.087 ( -26.331 0.000 25.877) 36.918 1.510 ( -3.558 0.000 3.880) 5.264 1.603 ( -2.870 0.000 -2.854) 4.047 2.012 ( 15.227 0.000 2.904) 15.501 2.308 ( 13.103 0.000 -1.434) 13.181 2.400 ( -1.383 0.000 0.080) 1.385 2.461 ( -0.612 0.000 1.047) 1.213 2.625 ( 2.576 0.000 -3.603) 4.429 2.657 ( -5.324 0.000 -0.564) 5.353 2.799 ( 2.207 0.000 -5.904) 6.303 2.918 ( 8.329 0.000 -1.247) 8.422 3.045 ( -6.281 0.000 2.280) 6.682 3.147 ( 4.284 0.000 2.943) 5.197 3.186 ( -0.985 0.000 0.402) 1.064 3.194 ( -2.439 0.000 7.249) 7.648 3.249 ( -0.837 0.000 -0.000) 0.837 3.333 ( 2.553 0.000 -2.917) 3.876 3.446 ( 1.003 0.000 -5.720) 5.807 3.499 ( -1.409 0.000 2.706) 3.051 3.661 ( -2.686 0.000 0.618) 2.756 3.773 ( 1.158 0.000 2.482) 2.739 3.897 ( 4.543 0.000 -4.894) 6.678 3.905 ( -2.768 0.000 4.035) 4.893 3.976 ( 1.534 0.000 1.339) 2.037 4.063 ( 7.539 0.000 5.853) 9.544 4.134 ( -0.488 0.000 -2.087) 2.143 4.216 ( 3.683 0.000 -7.986) 8.794 4.265 ( -0.310 0.000 1.010) 1.056 4.304 ( -3.538 0.000 -4.095) 5.412 4.450 ( -0.777 0.000 -1.580) 1.761 4.484 ( -7.425 0.000 3.470) 8.196 4.490 ( -1.125 0.000 -0.390) 1.190 4.566 ( 2.746 0.000 -1.667) 3.212 4.661 ( -15.702 0.000 -2.948) 15.976 4.727 ( -1.488 0.000 1.635) 2.210 4.806 ( -3.239 0.000 -1.771) 3.691 4.936 ( -1.133 0.000 -2.500) 2.745 4.968 ( 8.366 0.000 -2.077) 8.620 5.043 ( -1.763 0.000 2.171) 2.797 5.143 ( 2.531 0.000 -2.634) 3.653 5.397 ( 0.178 0.000 -0.379) 0.419 5.425 ( 1.477 0.000 2.294) 2.729 5.628 ( 1.317 0.000 1.413) 1.932 5.785 ( -0.330 0.000 -1.132) 1.179 6.031 ( 5.223 0.000 -0.068) 5.224 6.164 ( 0.911 0.000 -5.307) 5.384 9.582 ( -0.370 0.000 2.070) 2.103 9.726 ( 0.317 0.000 1.531) 1.564 9.862 ( -0.488 0.000 -0.593) 0.768 10.164 ( 3.306 0.000 -3.248) 4.634 10.474 ( 1.245 0.000 -5.021) 5.173 10.633 ( 25.358 0.000 22.539) 33.927 10.747 ( -1.303 0.000 7.775) 7.884 11.520 ( -33.680 0.000 -41.098) 53.136 11.985 ( -1.452 0.000 1.913) 2.402 12.139 ( 9.803 0.000 8.756) 13.144 12.415 ( -5.968 0.000 8.621) 10.485 13.551 ( 0.584 0.000 -3.636) 3.683 ======================= Grid point 55 (23/88) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 2.373 13.996 12.832) 19.136 0.647 ( -6.192 18.722 13.456) 23.873 1.244 ( -6.715 28.528 30.470) 42.277 1.591 ( 0.222 10.023 -0.273) 10.029 1.660 ( 1.853 6.081 -0.659) 6.391 2.243 ( -1.596 -5.788 3.647) 7.025 2.287 ( 4.817 -0.857 -2.392) 5.446 2.436 ( -4.074 1.753 0.086) 4.436 2.505 ( 2.642 -6.724 -2.285) 7.577 2.537 ( 7.056 0.124 -1.706) 7.261 2.621 ( -1.772 -7.339 -0.446) 7.563 2.737 ( 2.051 -7.154 -1.128) 7.527 2.830 ( -5.507 -1.926 1.626) 6.057 3.023 ( 4.629 -9.767 7.207) 12.991 3.114 ( 0.921 -3.113 -1.132) 3.438 3.178 ( -2.041 -0.682 -1.527) 2.639 3.271 ( 0.549 4.441 -3.660) 5.781 3.344 ( 3.134 -0.123 2.554) 4.045 3.358 ( -1.209 -2.861 -7.931) 8.518 3.394 ( 0.791 1.801 1.080) 2.244 3.460 ( -2.167 0.584 -1.042) 2.474 3.670 ( -2.458 4.291 0.856) 5.019 3.719 ( -1.917 -0.794 -5.028) 5.439 3.873 ( -0.977 -3.092 1.487) 3.567 3.904 ( 0.998 1.180 2.350) 2.813 3.956 ( 1.144 -3.788 -0.027) 3.957 4.089 ( -0.517 -1.085 -1.370) 1.822 4.181 ( -6.608 0.985 3.467) 7.527 4.203 ( 2.397 -1.132 0.178) 2.657 4.299 ( 5.274 -1.336 -1.306) 5.595 4.319 ( -1.855 0.180 2.596) 3.196 4.372 ( 2.130 1.175 -3.856) 4.559 4.504 ( 2.360 5.122 0.663) 5.679 4.520 ( -3.912 2.580 0.562) 4.719 4.559 ( 0.832 5.887 1.274) 6.081 4.659 ( 3.134 -2.226 0.660) 3.901 4.733 ( 2.778 1.945 -1.899) 3.886 4.801 ( -0.141 5.631 -1.497) 5.828 4.925 ( 0.947 -2.936 -0.255) 3.096 5.030 ( 1.016 2.893 -2.529) 3.974 5.081 ( 1.155 1.650 0.037) 2.015 5.208 ( 0.574 2.284 -5.136) 5.650 5.360 ( -1.350 -4.930 2.990) 5.922 5.419 ( 0.703 -3.189 2.318) 4.005 5.479 ( -5.932 -6.616 7.441) 11.590 5.777 ( 0.270 0.902 -2.138) 2.336 5.992 ( -6.926 2.800 -6.616) 9.979 6.139 ( 1.217 -2.702 -5.172) 5.961 9.614 ( 1.165 1.558 -2.681) 3.312 9.752 ( 0.898 2.106 0.295) 2.308 9.845 ( 0.020 -1.075 -0.429) 1.157 10.071 ( -9.195 -3.860 -3.800) 10.672 10.343 ( -10.231 -0.265 7.300) 12.571 10.531 ( 0.734 3.336 -5.012) 6.065 10.974 ( -8.600 6.619 -1.963) 11.028 11.374 ( 18.038 0.679 -14.761) 23.317 11.888 ( -0.112 -3.317 9.016) 9.607 12.278 ( -0.790 -4.643 8.439) 9.664 12.641 ( 8.110 11.718 4.289) 14.882 13.527 ( -1.192 -2.475 -3.508) 4.456 ======================= Grid point 56 (24/88) ======================= q-point: ( 0.17 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 6.001 12.277 12.079) 18.238 0.747 ( 12.723 13.746 8.472) 20.557 1.381 ( 7.991 23.147 23.248) 33.765 1.594 ( 1.095 11.298 -0.484) 11.362 1.741 ( 5.620 5.355 1.528) 7.911 2.077 ( -12.755 -2.922 6.376) 14.556 2.298 ( -7.487 -1.508 0.756) 7.675 2.386 ( -0.301 -1.175 -2.721) 2.979 2.515 ( -0.530 -2.731 -0.694) 2.867 2.591 ( 1.245 -7.011 0.390) 7.131 2.688 ( 7.433 -1.834 0.371) 7.665 2.738 ( 1.495 -4.329 -1.113) 4.713 2.881 ( 5.832 -4.721 -0.714) 7.537 3.041 ( -2.378 -2.967 2.947) 4.810 3.086 ( -5.664 -1.263 -1.829) 6.085 3.113 ( -4.066 -7.554 1.990) 8.806 3.247 ( -1.874 -0.763 -9.735) 9.943 3.327 ( 1.505 4.469 -3.614) 5.941 3.364 ( 1.016 -2.364 2.873) 3.857 3.419 ( 1.507 0.304 -2.384) 2.837 3.438 ( -0.124 2.941 0.302) 2.959 3.589 ( -4.406 8.092 1.451) 9.327 3.704 ( -2.349 -5.318 -2.947) 6.518 3.846 ( -2.244 -1.833 3.163) 4.290 3.923 ( -2.616 1.307 -0.316) 2.941 3.964 ( 1.362 -2.587 2.435) 3.805 4.070 ( -2.137 -0.360 0.239) 2.180 4.123 ( 0.198 -2.777 1.061) 2.980 4.223 ( -0.089 -1.100 -2.237) 2.494 4.228 ( -3.067 -1.591 -1.369) 3.716 4.334 ( -0.891 -1.136 3.835) 4.097 4.442 ( 3.229 3.032 -3.967) 5.946 4.486 ( 0.615 0.739 0.633) 1.152 4.603 ( 0.978 0.810 -0.121) 1.275 4.618 ( 6.264 -0.955 0.065) 6.337 4.707 ( 4.517 -0.897 1.803) 4.946 4.785 ( 1.127 3.965 -0.509) 4.154 4.857 ( 1.503 1.365 -1.318) 2.421 4.959 ( 5.847 0.955 -2.889) 6.591 5.022 ( 0.807 3.169 -5.450) 6.356 5.093 ( -0.112 -0.533 1.958) 2.033 5.195 ( -0.679 3.527 -4.551) 5.798 5.287 ( -7.960 -6.256 8.144) 12.993 5.404 ( -1.478 -0.648 2.081) 2.633 5.482 ( 4.337 -4.708 1.848) 6.662 5.753 ( -3.133 2.430 -1.645) 4.293 5.849 ( -2.467 6.507 -4.933) 8.530 6.143 ( 0.963 -2.187 -5.101) 5.633 9.627 ( 1.038 1.290 -3.443) 3.820 9.767 ( 0.574 3.993 -1.514) 4.309 9.844 ( -6.468 3.616 3.731) 8.296 9.861 ( -0.464 0.055 0.112) 0.481 10.270 ( -1.217 1.648 3.051) 3.675 10.526 ( 0.271 2.536 -3.691) 4.487 10.869 ( -3.154 10.433 2.884) 11.275 11.636 ( 11.626 -8.296 -11.496) 18.334 11.925 ( 1.057 -3.987 7.334) 8.414 12.245 ( -3.725 -3.737 1.818) 5.580 12.745 ( -0.093 4.851 5.573) 7.389 13.518 ( 1.596 -2.230 -4.752) 5.486 ======================= Grid point 57 (25/88) ======================= q-point: ( 0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 13.259 4.224 6.489) 15.354 1.056 ( 16.060 8.710 6.244) 19.307 1.452 ( -5.538 5.858 1.487) 8.197 1.664 ( -2.362 9.989 6.462) 12.130 1.763 ( -8.524 5.196 8.053) 12.826 2.001 ( 8.717 10.891 10.557) 17.494 2.176 ( -0.860 -0.227 0.401) 0.975 2.383 ( -0.258 -2.206 -3.082) 3.799 2.482 ( -3.020 0.617 -2.801) 4.165 2.595 ( -0.865 -7.435 -1.453) 7.625 2.749 ( 0.353 -7.356 -2.302) 7.716 2.786 ( -1.509 3.698 3.779) 5.499 2.947 ( -4.241 -3.672 -2.866) 6.300 2.983 ( 1.425 -2.204 0.448) 2.662 3.025 ( 2.037 1.243 2.556) 3.497 3.064 ( 0.275 -6.162 0.098) 6.169 3.201 ( -0.321 -0.157 -6.191) 6.201 3.330 ( -0.591 4.472 -2.233) 5.033 3.378 ( -2.953 -3.239 0.215) 4.388 3.438 ( 4.484 -2.493 2.441) 5.682 3.489 ( 1.487 7.100 -1.362) 7.380 3.503 ( -2.402 3.522 0.535) 4.296 3.645 ( -2.200 -3.323 1.359) 4.211 3.816 ( -2.073 -3.266 2.750) 4.746 3.827 ( -4.669 0.456 -0.420) 4.710 3.950 ( -7.412 2.521 4.991) 9.285 4.040 ( 3.056 0.557 1.038) 3.275 4.159 ( 3.067 -5.897 -2.140) 6.983 4.201 ( -0.362 -2.629 -0.700) 2.744 4.240 ( 1.905 -2.141 -3.065) 4.196 4.323 ( -1.912 -5.566 2.661) 6.459 4.421 ( -2.683 2.691 -1.201) 3.985 4.542 ( 3.084 0.688 -4.273) 5.314 4.594 ( 1.253 1.543 1.073) 2.258 4.720 ( 0.233 1.326 1.761) 2.217 4.800 ( 1.801 -1.152 -0.832) 2.294 4.811 ( 6.201 0.850 0.503) 6.279 4.857 ( -0.094 4.161 -0.818) 4.241 4.966 ( -2.348 -0.745 -4.982) 5.558 5.011 ( -0.965 -3.773 1.144) 4.059 5.105 ( -4.965 -1.187 4.757) 6.978 5.169 ( -1.256 3.906 -0.733) 4.168 5.239 ( 4.995 1.572 -2.368) 5.747 5.394 ( -0.129 -0.610 -0.740) 0.967 5.588 ( 5.614 -5.186 0.795) 7.684 5.678 ( -3.304 3.885 -0.778) 5.159 5.844 ( 1.955 3.355 -4.395) 5.865 6.141 ( 0.592 -2.234 -4.860) 5.382 9.625 ( -0.073 1.804 -2.309) 2.931 9.737 ( -2.162 4.470 1.914) 5.322 9.825 ( 2.077 1.967 0.558) 2.915 9.892 ( 2.222 -1.085 -0.250) 2.485 10.272 ( 0.087 1.386 2.698) 3.034 10.517 ( 0.046 1.567 -3.177) 3.543 10.836 ( -1.881 9.088 3.188) 9.813 11.763 ( 5.355 -5.862 -3.837) 8.818 11.974 ( 1.838 -4.767 4.877) 7.063 12.164 ( -4.094 -5.219 -5.153) 8.399 12.713 ( -4.629 5.793 7.942) 10.865 13.539 ( 2.083 -0.539 -5.159) 5.589 ======================= Grid point 58 (26/88) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 5.826 2.811 -0.027) 6.468 1.191 ( -11.015 -5.022 4.202) 12.814 1.423 ( 8.934 9.811 1.733) 13.382 1.516 ( -5.650 5.746 13.555) 15.770 1.668 ( -2.984 8.028 3.753) 9.351 2.174 ( -2.897 5.454 4.937) 7.906 2.249 ( 1.704 10.650 4.654) 11.747 2.316 ( -1.390 -0.130 -3.669) 3.926 2.478 ( 4.956 -0.775 -2.260) 5.502 2.533 ( -4.763 -4.559 -2.082) 6.915 2.657 ( -6.602 0.061 -0.597) 6.629 2.738 ( -1.112 -5.830 -1.925) 6.240 2.897 ( -0.225 -0.613 -4.468) 4.516 3.007 ( 0.245 0.232 2.852) 2.872 3.102 ( 3.636 -1.768 2.568) 4.790 3.126 ( 2.327 -1.068 3.587) 4.407 3.181 ( 1.828 -0.135 -4.597) 4.949 3.281 ( -0.938 6.309 -1.706) 6.603 3.354 ( 0.481 -3.676 2.386) 4.409 3.479 ( -3.333 -2.029 0.660) 3.957 3.497 ( -0.777 -0.385 0.295) 0.916 3.518 ( 2.780 -1.219 0.746) 3.126 3.648 ( 2.498 2.387 2.339) 4.172 3.787 ( 1.622 -1.252 0.932) 2.251 3.811 ( 0.990 -1.289 0.485) 1.696 3.873 ( -1.877 2.189 4.937) 5.717 4.101 ( 1.878 0.573 1.018) 2.212 4.170 ( -1.785 -5.247 -0.084) 5.543 4.206 ( 0.178 -3.991 -0.331) 4.008 4.219 ( -2.181 -3.303 0.223) 3.965 4.326 ( 2.402 2.364 -4.769) 5.840 4.375 ( -0.373 -2.994 -1.094) 3.209 4.563 ( 0.640 -1.244 -1.480) 2.037 4.646 ( 1.647 2.314 1.250) 3.104 4.683 ( -2.574 4.126 -2.064) 5.283 4.753 ( -4.466 -4.175 -0.262) 6.120 4.853 ( -1.034 -0.898 -4.583) 4.783 4.888 ( -1.230 -1.509 -1.467) 2.437 4.960 ( 4.328 4.835 -0.074) 6.489 4.982 ( -4.824 -3.868 2.146) 6.545 5.042 ( 0.933 1.169 2.662) 3.053 5.149 ( -0.570 4.466 1.301) 4.686 5.327 ( 3.512 0.864 -1.677) 3.986 5.392 ( 0.440 -0.577 -2.224) 2.340 5.618 ( -2.314 -0.801 -0.081) 2.450 5.692 ( 4.175 -0.965 0.585) 4.325 5.875 ( 2.846 2.414 -3.611) 5.193 6.135 ( 0.655 -2.761 -4.807) 5.581 9.616 ( -0.188 1.978 -1.321) 2.385 9.717 ( -0.787 2.436 2.008) 3.254 9.864 ( 1.484 0.679 -0.718) 1.783 9.947 ( 3.718 -0.891 1.010) 3.955 10.290 ( 0.762 1.675 4.227) 4.610 10.510 ( 0.529 1.755 -3.720) 4.147 10.815 ( -1.370 7.163 3.228) 7.975 11.828 ( 1.909 -4.065 2.688) 5.234 12.027 ( 2.816 -6.915 -0.667) 7.496 12.055 ( -4.894 -4.974 -8.602) 11.076 12.644 ( -5.321 8.139 8.288) 12.777 13.559 ( 1.754 0.571 -4.563) 4.922 ======================= Grid point 59 (27/88) ======================= q-point: (-0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -18.288 -0.481 8.000) 19.967 1.045 ( -14.979 8.091 7.370) 18.552 1.526 ( 3.368 6.420 2.418) 7.643 1.640 ( 0.737 8.479 4.123) 9.457 1.746 ( 11.846 4.762 2.950) 13.104 1.959 ( -20.584 14.607 13.316) 28.537 2.144 ( -1.072 1.766 -0.986) 2.289 2.360 ( 2.920 -1.951 -3.857) 5.217 2.477 ( 0.256 0.592 -0.076) 0.650 2.546 ( -1.382 -4.871 -3.041) 5.906 2.645 ( 3.433 -5.881 -2.610) 7.293 2.732 ( 2.654 -3.579 -2.342) 5.033 2.858 ( -1.820 0.466 -5.797) 6.094 3.012 ( -0.539 -3.217 2.403) 4.052 3.124 ( -0.004 3.221 5.386) 6.275 3.193 ( 4.219 -1.964 -3.423) 5.777 3.216 ( -1.878 -0.367 7.909) 8.137 3.292 ( 1.653 4.134 -5.096) 6.767 3.360 ( -4.017 -0.925 -0.731) 4.186 3.440 ( 0.284 -1.457 -1.799) 2.332 3.449 ( 1.089 -1.008 3.724) 4.009 3.628 ( 7.725 -2.000 2.090) 8.249 3.702 ( 1.659 3.377 2.295) 4.407 3.836 ( 1.470 -3.583 0.898) 3.976 3.866 ( 2.851 0.734 -0.238) 2.953 3.898 ( 3.092 -0.449 3.033) 4.355 4.073 ( -3.142 2.866 2.963) 5.183 4.113 ( -3.247 -3.428 0.489) 4.747 4.220 ( 3.303 -5.804 -2.566) 7.154 4.236 ( 0.074 -2.361 -0.214) 2.372 4.331 ( 1.763 6.040 -2.868) 6.915 4.404 ( 1.661 -3.950 -1.683) 4.604 4.545 ( -4.097 -4.269 -1.351) 6.069 4.572 ( -3.458 4.388 -0.853) 5.651 4.647 ( -3.299 2.703 0.640) 4.313 4.739 ( 0.317 -3.168 -1.855) 3.684 4.788 ( 0.456 -1.405 -2.386) 2.806 4.843 ( -5.700 -2.429 1.108) 6.294 4.931 ( 1.250 -2.164 -0.966) 2.680 4.973 ( -2.813 4.779 -0.441) 5.563 5.120 ( 4.021 4.694 -2.855) 6.808 5.142 ( -0.113 4.658 1.156) 4.800 5.363 ( 0.770 -0.723 1.147) 1.559 5.395 ( 0.510 -0.785 -1.548) 1.809 5.578 ( -2.217 -3.646 1.994) 4.710 5.754 ( 2.192 -0.220 -0.766) 2.333 5.936 ( 4.567 1.318 -1.119) 4.883 6.135 ( 1.020 -3.080 -5.104) 6.048 9.609 ( -0.061 1.781 -1.146) 2.119 9.718 ( 0.185 1.522 1.762) 2.336 9.871 ( -0.361 -0.163 -0.720) 0.822 10.038 ( 5.180 -2.458 0.777) 5.786 10.339 ( 2.439 1.348 8.856) 9.284 10.513 ( 1.221 2.827 -4.738) 5.651 10.813 ( 0.384 5.438 3.159) 6.301 11.857 ( -0.396 -3.736 6.037) 7.111 11.877 ( -8.265 -10.547 -23.842) 27.349 12.101 ( 3.160 -0.749 7.639) 8.300 12.575 ( -4.476 10.959 7.360) 13.939 13.572 ( 0.975 0.580 -4.097) 4.251 ======================= Grid point 60 (28/88) ======================= q-point: (-0.17 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -12.946 6.429 12.513) 19.118 0.797 ( -13.701 13.698 13.749) 23.757 1.423 ( -16.256 22.429 16.492) 32.239 1.624 ( -5.292 11.040 5.999) 13.633 1.670 ( -3.702 7.128 -1.050) 8.100 2.028 ( 14.161 1.635 2.526) 14.478 2.274 ( 8.750 -3.782 0.840) 9.570 2.368 ( 2.020 -1.185 -4.988) 5.510 2.488 ( 0.619 -4.519 -0.594) 4.600 2.515 ( -1.339 -2.375 -1.071) 2.929 2.650 ( 0.417 -6.527 -4.244) 7.797 2.734 ( -3.535 -1.470 0.542) 3.866 2.885 ( 6.310 -3.910 -0.612) 7.448 2.971 ( -5.631 -4.823 1.619) 7.589 3.136 ( -3.591 -1.751 4.289) 5.861 3.210 ( 2.677 -0.912 3.458) 4.467 3.221 ( 0.041 1.054 0.584) 1.206 3.280 ( 1.116 5.639 -1.782) 6.019 3.347 ( 1.967 0.973 -3.411) 4.056 3.421 ( -0.321 -1.432 -4.850) 5.067 3.491 ( -0.145 -0.214 1.395) 1.418 3.696 ( -1.385 -0.639 2.137) 2.626 3.775 ( 1.884 1.616 -0.893) 2.638 3.860 ( 1.503 -3.176 -1.237) 3.725 3.881 ( 0.083 -0.217 2.475) 2.486 3.949 ( 0.672 -2.885 0.011) 2.962 4.088 ( 4.006 1.240 -0.701) 4.251 4.099 ( 1.524 0.600 4.121) 4.435 4.207 ( -0.539 -2.065 -0.845) 2.295 4.268 ( 1.407 0.563 -0.363) 1.558 4.343 ( -2.389 -2.329 -0.302) 3.350 4.438 ( -4.487 -3.456 -0.444) 5.681 4.441 ( 3.607 3.951 -2.548) 5.925 4.540 ( -0.964 4.016 -0.080) 4.131 4.601 ( -0.418 1.943 0.190) 1.996 4.687 ( -5.594 2.919 -0.258) 6.315 4.736 ( -3.492 -2.838 0.683) 4.551 4.856 ( 0.808 -0.020 -2.691) 2.810 4.887 ( -1.256 2.067 -1.240) 2.718 4.973 ( 3.579 -1.133 -2.441) 4.478 5.100 ( -2.179 6.004 0.843) 6.443 5.195 ( 2.924 3.322 -4.532) 6.335 5.368 ( -0.637 -2.522 1.982) 3.270 5.403 ( 0.477 -1.280 1.076) 1.739 5.543 ( -3.084 -7.218 4.988) 9.300 5.775 ( 0.760 0.510 -1.852) 2.066 6.026 ( 4.133 -0.631 -2.070) 4.666 6.137 ( 1.026 -2.995 -5.447) 6.300 9.607 ( 0.343 1.608 -1.591) 2.287 9.733 ( 0.743 1.373 1.320) 2.044 9.855 ( -0.810 -0.614 -0.501) 1.133 10.117 ( 2.669 -4.648 -2.772) 6.034 10.431 ( 0.744 -3.892 12.421) 13.038 10.527 ( 1.797 2.389 -4.244) 5.191 10.894 ( 9.306 3.077 2.322) 10.073 11.534 ( -17.968 -0.941 -29.455) 34.516 11.869 ( -0.901 -3.509 8.473) 9.215 12.203 ( 4.028 -1.834 10.795) 11.667 12.542 ( -0.373 14.792 5.428) 15.761 13.563 ( -0.604 -0.742 -3.938) 4.052 ======================= Grid point 61 (29/88) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 2.221 22.124 0.857) 22.252 1.045 ( -2.633 20.541 7.681) 22.088 1.730 ( 1.193 9.312 4.004) 10.206 1.778 ( -0.492 8.255 4.637) 9.481 1.864 ( -1.152 18.057 8.183) 19.859 2.132 ( -5.304 -3.529 2.733) 6.932 2.238 ( -0.409 -6.344 -1.641) 6.565 2.337 ( 7.842 -1.777 -1.183) 8.127 2.428 ( 5.040 -7.665 -1.920) 9.372 2.514 ( -3.325 -0.839 -5.814) 6.750 2.550 ( -0.367 2.059 1.159) 2.391 2.656 ( 2.693 -0.721 2.427) 3.696 2.775 ( -3.561 -5.606 5.288) 8.489 2.867 ( 0.076 -3.859 0.007) 3.860 3.031 ( -0.469 -4.246 1.821) 4.644 3.152 ( -0.844 -1.712 -0.574) 1.993 3.274 ( -1.345 -2.922 -3.047) 4.430 3.354 ( 0.748 0.344 -2.083) 2.240 3.362 ( -0.230 1.050 -3.701) 3.854 3.436 ( -0.246 2.972 -3.055) 4.269 3.518 ( -0.780 3.655 0.515) 3.773 3.597 ( 1.888 -6.628 -3.456) 7.710 3.762 ( -3.124 -0.297 3.938) 5.035 3.824 ( -0.691 -6.079 0.745) 6.163 3.843 ( -1.658 -2.544 1.411) 3.348 3.919 ( 1.464 -0.535 1.462) 2.137 4.068 ( -0.118 -1.026 -0.512) 1.153 4.168 ( -2.136 -1.997 3.741) 4.748 4.201 ( 0.259 -3.690 1.552) 4.012 4.233 ( 0.810 3.818 0.920) 4.010 4.397 ( -3.856 4.496 -0.326) 5.932 4.425 ( 3.981 2.218 0.359) 4.571 4.529 ( 1.795 0.855 -0.742) 2.122 4.570 ( -2.571 2.221 1.775) 3.833 4.618 ( 3.429 -0.324 -1.361) 3.704 4.674 ( -1.579 4.338 1.056) 4.736 4.784 ( 3.597 1.848 -0.853) 4.133 4.841 ( 1.020 -3.524 0.532) 3.707 4.883 ( 2.090 -1.043 -2.766) 3.620 5.047 ( 1.872 4.055 -0.027) 4.466 5.111 ( -2.988 -5.144 -3.716) 7.015 5.211 ( -2.547 0.721 8.039) 8.463 5.323 ( -0.948 1.256 -1.840) 2.421 5.367 ( -0.837 -2.442 -0.049) 2.582 5.430 ( 0.349 2.224 1.453) 2.679 5.815 ( 0.434 2.931 -3.444) 4.543 6.001 ( -1.754 -1.285 -6.099) 6.475 6.048 ( 1.478 -6.707 -4.426) 8.170 9.644 ( 0.708 2.093 -2.819) 3.582 9.786 ( 1.578 0.251 -2.253) 2.762 9.828 ( -0.320 0.024 -0.318) 0.452 9.995 ( -2.103 -4.086 -3.121) 5.556 10.404 ( -4.172 5.594 3.741) 7.917 10.617 ( 0.254 4.767 -5.865) 7.562 10.972 ( 4.061 -3.289 1.190) 5.360 11.308 ( 3.534 -7.843 -16.843) 18.912 11.938 ( -2.370 7.276 12.376) 14.551 12.224 ( -1.691 -1.243 12.150) 12.330 12.881 ( 2.579 12.021 0.997) 12.335 13.443 ( -1.369 -6.062 -2.572) 6.726 ======================= Grid point 62 (30/88) ======================= q-point: ( 0.17 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 2.818 19.268 5.393) 20.206 1.080 ( 5.745 18.245 4.006) 19.543 1.719 ( -4.561 6.298 3.345) 8.465 1.843 ( 3.594 10.326 2.935) 11.321 1.953 ( 6.177 14.078 7.687) 17.188 2.000 ( -6.478 -4.281 1.443) 7.898 2.245 ( -0.235 0.050 1.694) 1.711 2.359 ( -3.762 -2.375 -0.328) 4.461 2.453 ( 3.793 -3.415 -0.916) 5.185 2.497 ( -1.701 -0.317 0.935) 1.966 2.588 ( 3.929 -2.193 -4.141) 6.115 2.737 ( 4.288 -0.169 1.859) 4.677 2.798 ( 5.067 -2.768 0.914) 5.845 2.878 ( -0.154 -10.901 0.218) 10.905 3.015 ( -1.073 -2.555 1.636) 3.218 3.095 ( -4.029 -0.663 -2.681) 4.885 3.212 ( -2.733 -1.009 -2.690) 3.966 3.359 ( 0.292 1.007 1.311) 1.679 3.381 ( 0.324 -2.517 -1.758) 3.087 3.404 ( -1.258 3.327 -3.733) 5.156 3.519 ( 3.242 2.013 -2.322) 4.467 3.604 ( -0.985 -4.177 -3.000) 5.236 3.711 ( -3.248 3.287 2.023) 5.045 3.816 ( -0.883 -1.739 1.753) 2.622 3.855 ( 0.847 -8.442 4.586) 9.644 3.921 ( -1.434 -2.072 1.050) 2.730 4.044 ( -2.503 0.288 -2.019) 3.229 4.114 ( -2.101 -0.345 4.593) 5.062 4.194 ( -2.238 -1.089 -0.373) 2.517 4.232 ( -2.073 1.457 -0.170) 2.539 4.293 ( -5.809 -0.163 3.641) 6.858 4.500 ( 2.156 2.552 -0.258) 3.350 4.546 ( 1.135 3.947 -2.519) 4.818 4.569 ( 1.667 -3.132 2.576) 4.385 4.655 ( 2.061 1.900 -0.754) 2.903 4.687 ( 1.777 1.311 0.906) 2.386 4.823 ( 0.443 -0.843 1.810) 2.046 4.859 ( 1.685 -0.494 0.846) 1.949 4.943 ( 0.141 -4.401 -0.179) 4.407 5.030 ( -0.045 -1.205 -5.819) 5.943 5.114 ( 2.656 1.223 -0.169) 2.929 5.196 ( -0.814 -0.927 5.015) 5.165 5.299 ( -0.404 5.421 -4.429) 7.012 5.378 ( 0.879 -3.524 1.632) 3.982 5.449 ( 2.339 3.919 0.664) 4.612 5.801 ( -0.817 2.715 -3.639) 4.613 5.923 ( -2.911 1.263 -6.092) 6.869 6.063 ( 1.324 -6.116 -3.853) 7.349 9.647 ( 0.518 1.585 -2.672) 3.150 9.815 ( 2.364 -1.392 -2.772) 3.900 9.830 ( 0.832 1.055 -0.816) 1.572 9.921 ( -4.109 1.309 -1.646) 4.616 10.348 ( -2.168 6.412 2.021) 7.064 10.586 ( -1.285 3.077 -4.800) 5.844 11.013 ( 0.489 2.983 -0.522) 3.068 11.403 ( 9.329 -13.866 -10.033) 19.492 11.922 ( -3.312 4.471 11.021) 12.345 12.194 ( -4.911 -1.247 9.218) 10.519 12.918 ( 0.265 10.758 2.845) 11.131 13.443 ( 2.422 -5.486 -4.084) 7.255 ======================= Grid point 63 (31/88) ======================= q-point: ( 0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 4.826 13.671 6.178) 15.759 1.266 ( 10.513 12.220 1.715) 16.211 1.577 ( -9.906 7.776 3.587) 13.094 1.853 ( -2.598 3.169 4.591) 6.154 1.876 ( -7.978 5.135 1.632) 9.627 2.090 ( 3.893 -1.114 0.335) 4.063 2.267 ( 5.245 2.386 -1.338) 5.916 2.412 ( 2.224 9.025 4.786) 10.454 2.439 ( -0.885 -3.766 0.112) 3.870 2.500 ( 1.552 -0.475 -1.028) 1.921 2.624 ( -0.710 -3.293 -2.726) 4.333 2.776 ( 2.270 -4.825 -7.976) 9.594 2.846 ( -3.721 -4.467 1.912) 6.121 2.918 ( 7.113 -4.029 1.367) 8.288 3.019 ( -0.902 0.863 0.349) 1.296 3.077 ( 4.640 3.197 2.261) 6.071 3.194 ( 1.111 -1.576 1.723) 2.585 3.335 ( -3.223 2.497 -1.007) 4.199 3.381 ( 1.652 -2.958 -1.052) 3.548 3.382 ( 0.371 0.126 -0.189) 0.435 3.536 ( -4.697 -2.031 -0.091) 5.118 3.607 ( -0.156 4.892 -4.011) 6.328 3.651 ( 0.350 2.881 4.831) 5.636 3.778 ( -4.277 -0.554 1.138) 4.460 3.845 ( -1.636 0.422 0.950) 1.938 3.903 ( -0.859 -7.507 3.195) 8.204 4.033 ( 0.944 -4.202 -1.651) 4.612 4.061 ( -3.872 3.047 3.286) 5.922 4.145 ( -1.149 -4.861 0.723) 5.047 4.198 ( -0.065 -2.342 -0.620) 2.423 4.237 ( -2.881 -0.955 3.601) 4.709 4.486 ( -3.068 0.706 1.274) 3.396 4.536 ( -0.424 1.512 -1.658) 2.284 4.645 ( 2.938 -1.188 1.260) 3.411 4.705 ( 3.752 -1.611 -3.103) 5.128 4.724 ( 1.423 0.004 1.385) 1.986 4.819 ( -1.040 -5.708 2.676) 6.389 4.853 ( -3.680 -0.592 0.096) 3.728 4.936 ( 0.616 -2.265 1.782) 2.948 5.017 ( 1.183 2.341 -6.622) 7.122 5.116 ( -2.161 2.453 2.870) 4.350 5.250 ( 2.594 3.185 -1.296) 4.307 5.298 ( 3.073 4.838 -3.356) 6.642 5.381 ( -0.558 -1.299 0.744) 1.598 5.529 ( 4.713 0.615 -0.511) 4.780 5.757 ( -1.973 3.192 -3.698) 5.268 5.884 ( 0.631 1.104 -4.715) 4.883 6.067 ( 0.400 -5.259 -3.473) 6.315 9.646 ( 0.363 1.576 -2.674) 3.125 9.841 ( -1.238 1.679 -1.738) 2.716 9.848 ( 0.806 0.840 -1.968) 2.286 9.865 ( 1.650 0.087 -0.385) 1.696 10.335 ( -0.062 5.338 1.868) 5.656 10.549 ( -0.759 1.552 -3.724) 4.105 10.998 ( -1.397 5.805 -2.681) 6.545 11.543 ( 7.531 -17.114 -5.566) 19.509 11.890 ( -3.548 1.570 8.691) 9.517 12.124 ( -4.833 0.052 8.305) 9.609 12.914 ( -1.544 12.456 3.467) 13.022 13.486 ( 3.180 -4.967 -4.786) 7.595 ======================= Grid point 64 (32/88) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -1.478 6.998 5.772) 9.191 1.302 ( -3.015 10.821 -1.906) 11.393 1.600 ( 10.677 8.201 5.703) 14.621 1.688 ( -10.099 8.986 7.368) 15.396 1.845 ( 0.149 6.494 0.260) 6.501 2.140 ( -0.419 -4.371 0.413) 4.410 2.283 ( -0.985 -2.554 -3.894) 4.760 2.401 ( -4.472 -3.133 -3.093) 6.275 2.454 ( 2.236 -2.943 -3.085) 4.815 2.553 ( 2.082 5.679 3.359) 6.919 2.554 ( -1.593 -2.614 -6.862) 7.514 2.742 ( -6.942 1.449 4.658) 8.484 2.845 ( 4.659 -1.967 -6.476) 8.217 2.997 ( -2.190 -1.732 2.395) 3.678 3.079 ( 4.785 2.034 1.938) 5.549 3.156 ( 3.367 2.516 4.657) 6.274 3.244 ( 0.185 4.254 3.774) 5.690 3.285 ( 1.117 -0.242 1.943) 2.255 3.389 ( 0.164 -0.990 -1.739) 2.008 3.420 ( -0.330 -1.325 -2.825) 3.138 3.478 ( 0.755 0.074 2.558) 2.668 3.495 ( -3.676 3.995 1.219) 5.564 3.718 ( 0.624 -3.914 3.128) 5.049 3.741 ( 1.104 3.727 -0.532) 3.924 3.826 ( 0.610 -0.438 -0.113) 0.759 3.935 ( -2.561 -7.161 1.902) 7.839 3.962 ( 2.480 4.040 3.161) 5.698 4.112 ( -0.831 -5.360 2.847) 6.126 4.140 ( 3.482 -4.344 -1.424) 5.747 4.178 ( -3.498 -0.955 2.284) 4.285 4.230 ( 3.021 -4.451 -1.697) 5.641 4.414 ( -4.520 -2.414 2.676) 5.781 4.528 ( 0.004 0.856 -0.914) 1.252 4.652 ( -1.220 -4.049 -2.021) 4.687 4.729 ( -3.142 0.600 -0.989) 3.348 4.745 ( 1.208 3.168 -1.427) 3.679 4.789 ( -1.112 -6.355 1.924) 6.732 4.828 ( 1.187 -2.553 -3.089) 4.179 4.904 ( -4.169 0.687 3.118) 5.251 5.055 ( 2.558 2.164 -3.068) 4.542 5.103 ( 1.097 4.149 1.950) 4.714 5.266 ( 1.002 6.301 -2.198) 6.748 5.358 ( 2.138 2.361 -0.487) 3.223 5.375 ( 0.135 -1.105 -0.256) 1.142 5.571 ( -0.922 -0.903 -1.744) 2.169 5.740 ( 2.016 2.305 -2.894) 4.213 5.899 ( 2.274 0.574 -3.743) 4.417 6.057 ( -0.068 -4.990 -3.597) 6.151 9.644 ( 0.391 1.921 -2.829) 3.442 9.797 ( -1.735 4.071 -0.514) 4.454 9.864 ( 0.576 -1.143 -0.894) 1.561 9.914 ( 3.257 -2.037 -1.822) 4.252 10.353 ( 1.068 4.737 2.954) 5.684 10.540 ( 1.162 1.203 -3.414) 3.802 10.948 ( -2.438 5.333 -3.823) 7.000 11.621 ( 2.081 -20.815 -8.503) 22.581 11.858 ( -2.049 3.547 9.030) 9.916 12.088 ( -2.018 1.632 10.373) 10.693 12.889 ( -2.134 14.386 2.672) 14.787 13.521 ( 1.908 -4.792 -4.266) 6.693 ======================= Grid point 65 (33/88) ======================= q-point: (-0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -8.897 15.786 2.704) 18.321 1.258 ( -7.204 12.781 3.819) 15.160 1.639 ( 2.819 5.902 6.414) 9.161 1.792 ( 2.867 3.427 4.459) 6.313 1.895 ( 8.075 10.035 -2.686) 13.158 2.080 ( -2.796 -1.784 1.425) 3.611 2.225 ( -9.431 -2.844 -1.026) 9.904 2.305 ( 1.704 -2.287 -4.314) 5.171 2.431 ( -5.334 -3.428 0.324) 6.349 2.530 ( 0.491 1.209 -4.050) 4.255 2.577 ( -0.791 5.606 2.501) 6.190 2.693 ( 2.200 -1.437 1.218) 2.896 2.831 ( -3.886 -0.535 -6.131) 7.279 2.951 ( -2.889 -2.446 2.972) 4.813 3.103 ( 0.326 -4.604 -0.516) 4.645 3.177 ( -4.436 -3.512 9.677) 11.210 3.229 ( 0.214 3.492 1.432) 3.780 3.347 ( 0.116 0.891 -0.709) 1.144 3.401 ( 1.840 3.675 -5.720) 7.044 3.445 ( 4.874 1.890 3.823) 6.476 3.462 ( -0.755 5.407 -2.063) 5.836 3.559 ( 4.317 -3.939 -0.148) 5.846 3.760 ( 2.467 1.361 0.834) 2.938 3.771 ( 1.728 -4.689 4.794) 6.925 3.853 ( 1.879 -2.643 -0.676) 3.313 3.879 ( -1.425 -1.300 2.734) 3.346 4.074 ( -0.385 -0.027 1.565) 1.612 4.090 ( 2.848 -0.684 2.974) 4.174 4.121 ( -0.380 -2.630 0.951) 2.823 4.199 ( 0.853 -3.830 2.395) 4.597 4.297 ( 3.538 -4.035 -1.410) 5.549 4.377 ( 0.949 -2.468 2.511) 3.646 4.518 ( -0.490 2.221 -4.117) 4.703 4.628 ( -0.798 -2.180 -2.024) 3.080 4.647 ( -2.821 -1.185 -1.036) 3.230 4.752 ( -0.802 -0.149 -0.370) 0.896 4.772 ( -1.629 1.174 1.798) 2.695 4.790 ( -3.621 2.345 -2.337) 4.907 4.873 ( 0.637 -2.698 0.395) 2.801 5.064 ( -0.361 3.555 -0.428) 3.598 5.157 ( 2.895 -0.746 -1.263) 3.245 5.270 ( -0.418 6.249 -0.987) 6.340 5.372 ( 0.053 1.547 0.588) 1.656 5.383 ( 0.242 -0.211 0.383) 0.500 5.501 ( -5.056 -1.753 -0.184) 5.354 5.782 ( 2.647 1.743 -3.495) 4.719 5.947 ( 3.854 -0.053 -2.789) 4.758 6.045 ( 0.249 -5.818 -4.279) 7.226 9.642 ( 0.442 2.266 -3.015) 3.797 9.774 ( -0.571 3.079 -0.474) 3.167 9.860 ( -0.639 -1.039 -0.576) 1.349 9.970 ( 3.162 -4.199 -2.083) 5.654 10.394 ( 1.724 4.159 5.228) 6.900 10.569 ( 2.969 2.473 -4.128) 5.655 10.893 ( -1.503 2.944 -4.094) 5.262 11.551 ( -4.332 -18.915 -14.936) 24.488 11.885 ( 0.337 5.708 11.700) 13.023 12.115 ( 0.530 1.352 12.661) 12.744 12.857 ( -1.759 15.376 1.426) 15.542 13.526 ( -0.089 -5.421 -3.459) 6.431 ======================= Grid point 66 (34/88) ======================= q-point: (-0.17 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -2.958 22.313 0.107) 22.508 1.116 ( -8.007 17.732 8.967) 21.423 1.700 ( 1.167 6.664 1.324) 6.894 1.800 ( -1.242 5.209 1.629) 5.598 1.944 ( -9.008 11.732 7.839) 16.740 2.087 ( 6.845 4.694 4.273) 9.335 2.214 ( 7.111 -4.217 -3.185) 8.860 2.280 ( -2.193 -5.612 -0.741) 6.071 2.346 ( -1.500 -2.494 -1.745) 3.393 2.538 ( 1.066 2.171 -3.069) 3.907 2.573 ( 0.078 0.640 1.882) 1.989 2.694 ( -6.075 -1.516 -2.516) 6.748 2.771 ( 2.412 -7.247 0.776) 7.677 2.914 ( -2.865 -1.164 2.287) 3.846 3.057 ( -4.306 -4.712 2.685) 6.925 3.151 ( -0.219 -3.306 2.870) 4.384 3.261 ( 2.413 -0.388 -0.543) 2.504 3.350 ( 0.773 1.131 -1.965) 2.395 3.406 ( -1.047 5.371 -5.935) 8.073 3.440 ( 0.316 3.163 -2.599) 4.106 3.516 ( 1.482 2.896 1.735) 3.687 3.575 ( 0.025 -9.790 -1.752) 9.945 3.792 ( -1.559 -2.692 6.323) 7.047 3.841 ( 2.656 1.512 1.512) 3.410 3.861 ( -0.418 -4.385 0.892) 4.494 3.884 ( -0.106 -1.488 -0.646) 1.626 4.059 ( 0.863 -2.699 -0.828) 2.952 4.122 ( 2.280 -1.309 3.561) 4.427 4.182 ( 1.677 -0.487 1.872) 2.560 4.226 ( 0.918 -2.559 3.108) 4.129 4.351 ( 2.781 3.712 1.894) 5.009 4.425 ( 1.647 2.402 -2.240) 3.674 4.511 ( 1.809 2.524 -2.616) 4.061 4.571 ( -1.956 -3.332 1.385) 4.104 4.638 ( -2.736 2.160 -1.405) 3.758 4.697 ( -0.464 0.343 -0.365) 0.683 4.743 ( -0.830 2.899 0.114) 3.017 4.800 ( 2.908 -1.338 -1.232) 3.430 4.884 ( 0.409 -4.125 -1.635) 4.456 5.043 ( -1.411 5.848 -0.473) 6.034 5.170 ( -1.026 -3.274 -3.772) 5.099 5.241 ( -2.740 4.557 4.378) 6.887 5.352 ( -1.855 -1.413 0.909) 2.502 5.397 ( -0.548 3.167 -0.606) 3.271 5.421 ( -1.762 -3.502 1.972) 4.388 5.809 ( 1.467 2.606 -3.564) 4.652 6.005 ( 2.618 -1.551 -3.659) 4.759 6.041 ( 1.082 -6.772 -4.972) 8.471 9.641 ( 0.603 2.406 -3.009) 3.900 9.771 ( 0.529 1.692 -1.185) 2.132 9.842 ( -0.958 -0.658 -0.298) 1.200 10.009 ( 1.500 -5.793 -2.882) 6.642 10.436 ( -0.332 3.411 6.380) 7.243 10.609 ( 2.521 4.629 -5.428) 7.566 10.889 ( 2.988 -1.279 -2.418) 4.051 11.396 ( -4.957 -11.801 -18.177) 22.231 11.925 ( -0.703 7.416 12.533) 14.579 12.180 ( 1.110 -0.095 13.721) 13.766 12.844 ( 0.479 14.768 0.496) 14.784 13.493 ( -2.168 -6.269 -2.681) 7.155 ======================= Grid point 67 (35/88) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.883 21.263 -2.138) 21.388 1.415 ( -1.779 16.631 4.847) 17.414 1.673 ( -0.707 -9.128 2.865) 9.593 1.734 ( 0.255 -15.994 -1.877) 16.106 2.048 ( 3.171 5.413 0.249) 6.279 2.102 ( -2.298 1.088 1.575) 2.990 2.267 ( 1.911 -3.126 1.419) 3.929 2.322 ( 4.792 -1.280 -1.479) 5.176 2.404 ( 2.594 6.841 -3.037) 7.922 2.515 ( 1.182 -8.056 -1.098) 8.216 2.604 ( -4.717 12.371 8.253) 15.601 2.667 ( 0.477 5.011 -2.246) 5.512 2.719 ( 0.989 -0.251 -1.397) 1.730 2.838 ( -3.746 -3.065 3.433) 5.934 3.010 ( -2.346 4.452 2.219) 5.500 3.137 ( 0.524 1.198 -1.118) 1.720 3.198 ( -0.833 -6.696 -0.165) 6.750 3.231 ( 0.014 -11.371 0.530) 11.383 3.389 ( -0.218 1.891 -2.647) 3.261 3.446 ( 0.654 -2.814 -5.225) 5.970 3.533 ( -0.335 1.379 -0.463) 1.493 3.557 ( -1.725 -0.097 -0.221) 1.741 3.702 ( -1.919 -1.478 3.556) 4.302 3.730 ( -0.820 -2.809 2.123) 3.615 3.844 ( -2.116 1.161 2.076) 3.184 3.885 ( -0.395 -2.550 2.963) 3.929 4.071 ( 0.722 1.763 1.613) 2.496 4.123 ( 2.286 -2.978 1.499) 4.042 4.192 ( -2.347 2.919 2.562) 4.538 4.277 ( 1.501 -3.545 2.952) 4.851 4.394 ( -2.844 4.396 -0.367) 5.249 4.502 ( -0.076 -3.902 2.226) 4.492 4.545 ( 2.544 5.187 -3.874) 6.956 4.613 ( 3.127 -1.157 -3.186) 4.612 4.693 ( 1.081 7.778 0.932) 7.908 4.734 ( -0.617 2.758 0.254) 2.838 4.766 ( 1.967 -2.990 -0.943) 3.702 4.807 ( 1.181 -0.870 0.333) 1.504 4.840 ( 1.441 0.218 -0.588) 1.572 4.950 ( -4.130 -9.288 -0.242) 10.168 5.143 ( -0.538 4.175 1.042) 4.336 5.214 ( -2.832 -2.340 3.072) 4.789 5.294 ( 0.426 0.646 1.984) 2.130 5.340 ( -0.887 -2.550 -0.955) 2.864 5.607 ( 1.873 13.051 -2.731) 13.464 5.842 ( 1.811 -7.388 -4.793) 8.991 5.909 ( 0.103 -0.226 -3.659) 3.668 5.962 ( -0.361 -2.872 -5.296) 6.035 9.698 ( 0.129 3.163 -2.561) 4.071 9.756 ( 0.139 -2.551 -2.407) 3.510 9.854 ( 0.812 2.300 -1.512) 2.869 9.915 ( 0.503 -3.823 -2.412) 4.548 10.536 ( -1.468 7.261 1.009) 7.477 10.651 ( -0.431 -2.953 -2.889) 4.153 10.964 ( 4.057 4.506 -3.700) 7.103 11.121 ( 2.376 -9.981 -10.842) 14.927 12.093 ( -2.921 7.207 12.349) 14.594 12.192 ( -2.377 -2.875 12.408) 12.957 13.102 ( 0.767 10.646 -0.960) 10.717 13.295 ( -0.472 -8.909 -1.932) 9.128 ======================= Grid point 68 (36/88) ======================= q-point: ( 0.17 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.965 19.814 1.715) 19.912 1.423 ( 2.867 16.455 1.189) 16.745 1.685 ( 0.946 -9.849 2.269) 10.151 1.749 ( 1.179 -15.825 -1.406) 15.931 1.973 ( -8.197 4.134 1.186) 9.257 2.080 ( -2.926 -2.239 2.337) 4.363 2.298 ( 2.650 5.478 0.515) 6.107 2.400 ( 2.962 -0.340 -0.522) 3.027 2.469 ( 2.342 0.469 -3.970) 4.633 2.542 ( 3.844 -3.396 -0.959) 5.218 2.603 ( 1.333 10.535 7.662) 13.095 2.716 ( 4.152 0.031 -1.703) 4.488 2.762 ( 0.189 -0.718 -5.789) 5.837 2.797 ( 0.119 1.935 4.921) 5.289 2.965 ( 0.404 0.351 1.335) 1.438 3.070 ( -3.535 -2.447 -0.245) 4.306 3.209 ( 0.775 0.272 -1.561) 1.764 3.283 ( 2.565 -7.522 0.203) 7.950 3.384 ( -0.123 1.431 0.048) 1.437 3.428 ( -0.147 -2.645 -2.175) 3.427 3.518 ( 0.410 1.641 -1.644) 2.359 3.561 ( 0.996 -1.602 -1.339) 2.314 3.688 ( -1.040 -2.425 4.261) 5.012 3.737 ( 0.545 -4.220 0.868) 4.342 3.798 ( -3.116 2.480 2.568) 4.739 3.866 ( -2.130 -3.491 2.048) 4.573 4.058 ( -1.986 1.491 0.014) 2.484 4.099 ( -3.484 -2.030 1.621) 4.346 4.203 ( 0.433 2.673 3.775) 4.645 4.273 ( -3.524 -3.280 3.154) 5.756 4.326 ( -4.378 7.691 0.233) 8.853 4.474 ( -3.677 -6.264 4.098) 8.340 4.567 ( 1.100 4.650 -0.348) 4.791 4.644 ( 1.296 -2.196 -1.690) 3.059 4.652 ( -2.276 6.020 -1.690) 6.654 4.746 ( -1.039 -0.050 0.287) 1.079 4.776 ( -1.628 -0.748 0.800) 1.962 4.846 ( -0.351 -4.698 0.889) 4.794 4.868 ( 4.120 1.868 -0.625) 4.567 4.940 ( 4.312 -5.315 -4.110) 7.983 5.161 ( 1.405 2.706 1.090) 3.238 5.202 ( 1.473 -0.580 0.699) 1.730 5.321 ( 1.626 -0.844 1.469) 2.349 5.336 ( 1.040 -0.902 -1.800) 2.266 5.632 ( 1.333 12.338 -2.043) 12.577 5.832 ( -1.331 -3.541 -5.102) 6.352 5.905 ( 0.330 -1.854 -4.424) 4.808 5.938 ( 0.719 -3.695 -3.743) 5.308 9.695 ( 0.491 3.123 -2.678) 4.143 9.760 ( 1.102 -3.313 -2.569) 4.335 9.866 ( 0.989 2.068 -1.690) 2.848 9.908 ( -0.432 -1.926 -2.015) 2.821 10.498 ( -2.134 7.891 -0.493) 8.189 10.607 ( -2.346 -2.150 -3.943) 5.067 11.040 ( 4.022 2.402 -2.213) 5.181 11.161 ( 4.654 -9.870 -6.949) 12.937 12.053 ( -5.165 7.168 11.640) 14.613 12.158 ( -5.004 -3.271 11.192) 12.688 13.126 ( 1.629 10.120 -0.463) 10.261 13.307 ( 2.357 -8.302 -2.624) 9.020 ======================= Grid point 69 (37/88) ======================= q-point: ( 0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.343 17.782 3.842) 18.196 1.523 ( 5.705 13.532 -1.237) 14.737 1.717 ( -3.162 -0.107 1.612) 3.551 1.722 ( 0.657 -14.109 2.186) 14.292 1.864 ( -2.641 0.930 -0.684) 2.882 2.012 ( -2.790 -8.141 1.397) 8.719 2.327 ( -2.603 4.435 -0.241) 5.148 2.407 ( -2.247 -2.656 2.716) 4.414 2.494 ( 3.135 4.686 -3.814) 6.807 2.606 ( 1.822 5.028 -5.432) 7.623 2.628 ( -4.838 -1.202 -5.165) 7.178 2.682 ( 3.480 0.776 -1.880) 4.031 2.767 ( 0.290 -2.289 5.120) 5.616 2.874 ( 3.216 -7.777 1.679) 8.582 3.057 ( 7.111 7.171 0.376) 10.106 3.122 ( 8.074 0.700 2.455) 8.468 3.206 ( -0.105 3.994 -0.496) 4.026 3.303 ( 1.285 -4.084 -0.970) 4.390 3.390 ( -0.378 1.553 1.399) 2.124 3.424 ( 0.197 2.410 0.904) 2.582 3.518 ( -1.021 1.235 -0.584) 1.706 3.611 ( 5.611 -5.722 -0.372) 8.023 3.676 ( -2.094 -3.834 1.864) 4.749 3.725 ( -2.736 -0.589 -0.806) 2.912 3.767 ( -1.467 -0.716 6.657) 6.854 3.842 ( -0.426 -2.280 2.012) 3.071 4.013 ( -2.183 1.037 -0.589) 2.488 4.045 ( -2.654 -3.553 0.654) 4.482 4.155 ( -6.132 4.517 3.759) 8.493 4.219 ( -3.220 -1.858 2.729) 4.611 4.234 ( -4.118 6.778 3.393) 8.627 4.399 ( -6.239 -8.161 5.995) 11.894 4.588 ( -0.062 2.348 0.482) 2.398 4.616 ( -1.000 0.387 -0.428) 1.154 4.658 ( 1.450 -1.946 -3.781) 4.493 4.685 ( -2.465 -5.884 0.922) 6.446 4.785 ( 1.357 3.115 -0.716) 3.473 4.831 ( -0.921 -1.691 -0.883) 2.119 4.948 ( 3.233 2.665 -0.232) 4.196 5.007 ( 3.505 -2.593 -3.356) 5.502 5.182 ( 0.584 3.980 1.390) 4.255 5.256 ( 2.690 -2.754 -0.532) 3.886 5.361 ( 2.248 0.727 -0.386) 2.394 5.370 ( 3.364 0.831 -3.060) 4.623 5.634 ( -0.270 8.621 -2.527) 8.988 5.770 ( -2.714 -3.162 -5.001) 6.509 5.901 ( 1.212 1.244 -3.978) 4.340 5.957 ( 1.476 -4.839 -2.531) 5.657 9.699 ( 0.870 3.642 -3.004) 4.800 9.778 ( 1.597 -4.130 -2.829) 5.254 9.878 ( 0.857 0.847 -1.705) 2.088 9.887 ( -1.028 0.308 -1.689) 2.002 10.465 ( -0.852 6.870 -0.983) 6.992 10.556 ( -1.379 -1.761 -3.677) 4.304 11.076 ( 0.727 4.048 -3.820) 5.613 11.229 ( 3.643 -12.593 -3.183) 13.490 11.997 ( -4.273 6.930 11.232) 13.872 12.101 ( -4.316 -3.143 10.843) 12.086 13.151 ( 1.082 11.361 -0.464) 11.422 13.350 ( 2.716 -8.769 -3.041) 9.671 ======================= Grid point 70 (38/88) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.482 16.546 4.851) 17.249 1.545 ( -1.560 12.732 -3.302) 13.245 1.699 ( 1.547 -3.694 3.643) 5.414 1.750 ( -2.120 -8.434 4.084) 9.608 1.857 ( 4.577 5.401 -1.213) 7.183 2.010 ( 0.546 -8.083 1.165) 8.185 2.232 ( -3.770 -0.634 -2.795) 4.736 2.306 ( -8.234 -6.860 -3.003) 11.130 2.503 ( -2.390 6.619 -1.731) 7.247 2.543 ( -0.240 0.597 -5.129) 5.170 2.630 ( 3.620 5.483 -8.482) 10.729 2.745 ( -0.054 -1.869 -2.318) 2.979 2.805 ( 3.866 -0.804 5.602) 6.854 2.910 ( -0.453 -7.933 4.584) 9.174 3.148 ( -0.413 0.747 0.486) 0.982 3.153 ( -0.709 0.352 0.761) 1.098 3.328 ( 2.789 -0.116 -3.230) 4.269 3.337 ( 2.555 -2.035 -2.864) 4.344 3.400 ( 3.693 10.604 4.998) 12.291 3.426 ( -1.948 5.007 6.151) 8.167 3.524 ( 1.948 4.279 3.693) 5.978 3.627 ( -1.461 -1.912 1.153) 2.668 3.652 ( -2.441 3.015 0.136) 3.881 3.732 ( 2.383 -6.793 0.938) 7.260 3.759 ( 1.355 0.188 2.843) 3.155 3.855 ( -0.737 -3.932 4.277) 5.856 3.990 ( 1.008 -2.562 0.023) 2.753 4.021 ( 0.410 -3.232 0.814) 3.358 4.078 ( -2.236 1.840 1.526) 3.273 4.153 ( -4.435 -4.207 2.793) 6.721 4.209 ( 0.198 4.244 3.396) 5.440 4.314 ( -3.004 -5.663 5.026) 8.145 4.567 ( -1.001 1.447 -0.636) 1.871 4.589 ( -1.584 -1.833 -1.265) 2.733 4.669 ( 0.036 -2.667 0.107) 2.670 4.688 ( 1.122 -3.249 -0.554) 3.481 4.803 ( 0.623 1.573 -1.368) 2.175 4.814 ( 0.168 0.068 -2.509) 2.515 4.971 ( -0.846 4.480 0.506) 4.587 5.045 ( 1.369 -2.614 -2.314) 3.750 5.192 ( -0.054 4.701 1.484) 4.930 5.281 ( 0.245 -3.920 0.031) 3.928 5.402 ( 2.069 2.551 -2.120) 3.909 5.413 ( 1.263 2.065 -2.347) 3.372 5.614 ( -0.765 5.280 -3.606) 6.440 5.726 ( 0.669 -4.152 -4.442) 6.117 5.917 ( 1.502 1.491 -3.224) 3.856 5.965 ( 0.273 -3.697 -2.638) 4.550 9.705 ( 0.904 4.217 -3.306) 5.434 9.795 ( 0.990 -4.336 -2.910) 5.315 9.863 ( -0.865 1.638 -1.270) 2.246 9.887 ( 0.678 -0.996 -1.929) 2.274 10.462 ( 0.781 5.636 -0.387) 5.703 10.540 ( 1.073 -1.832 -3.056) 3.721 11.048 ( -1.811 6.581 -4.957) 8.436 11.255 ( 0.274 -15.058 -4.548) 15.732 11.982 ( -1.329 6.991 11.963) 13.920 12.082 ( -1.641 -2.723 11.622) 12.049 13.158 ( -0.218 12.729 -0.815) 12.757 13.378 ( 1.104 -9.535 -2.873) 10.019 ======================= Grid point 71 (39/88) ======================= q-point: (-0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -2.577 20.040 1.300) 20.247 1.521 ( -1.966 13.390 -0.104) 13.534 1.706 ( -1.066 -3.494 2.409) 4.376 1.749 ( 1.084 -8.874 3.191) 9.492 1.975 ( 3.957 -1.798 3.558) 5.617 1.992 ( -1.042 -4.020 2.959) 5.099 2.147 ( -3.541 1.622 -8.402) 9.260 2.235 ( 4.243 -5.330 -6.175) 9.195 2.442 ( -3.350 4.023 0.412) 5.251 2.535 ( 0.598 -3.533 -4.067) 5.420 2.655 ( 1.282 4.259 -7.806) 8.984 2.703 ( -2.699 1.284 0.608) 3.050 2.895 ( 2.408 0.692 5.076) 5.661 2.919 ( 0.537 -0.740 3.355) 3.477 3.062 ( -9.064 1.675 3.545) 9.876 3.108 ( -4.364 -2.450 4.383) 6.653 3.274 ( -3.527 3.328 -0.791) 4.913 3.360 ( 2.038 -3.371 -6.507) 7.607 3.393 ( -0.645 1.647 -1.131) 2.100 3.473 ( -1.761 -2.095 3.070) 4.113 3.549 ( -0.059 4.100 2.321) 4.712 3.621 ( -2.046 2.516 2.130) 3.880 3.684 ( 3.336 1.957 5.340) 6.594 3.769 ( 3.282 -0.498 3.875) 5.102 3.809 ( 0.841 -1.374 0.378) 1.655 3.838 ( -1.309 -3.667 5.299) 6.576 4.009 ( -0.530 -1.855 -0.723) 2.060 4.051 ( 0.455 -4.441 1.617) 4.748 4.113 ( 3.198 -1.661 1.198) 3.797 4.119 ( 4.920 -1.650 -0.337) 5.200 4.280 ( 6.287 2.778 2.943) 7.477 4.341 ( 3.322 -2.260 4.299) 5.884 4.549 ( -0.799 0.324 -1.369) 1.618 4.566 ( -0.088 -2.058 -1.183) 2.375 4.640 ( -2.649 1.862 -1.672) 3.644 4.705 ( 1.040 -3.506 0.255) 3.666 4.801 ( -0.184 1.307 -1.317) 1.865 4.816 ( 0.113 -0.747 -2.529) 2.639 4.932 ( -3.127 6.460 0.777) 7.219 5.044 ( -0.537 -4.719 -1.509) 4.984 5.188 ( -1.034 4.005 1.750) 4.491 5.275 ( -0.824 -4.186 0.820) 4.344 5.385 ( -3.052 1.644 0.049) 3.467 5.412 ( -0.999 -0.215 -1.375) 1.714 5.589 ( 0.048 9.580 -4.355) 10.524 5.763 ( 3.868 -5.731 -5.287) 8.704 5.933 ( 1.151 -0.488 -3.224) 3.458 5.954 ( 0.082 -2.223 -2.852) 3.617 9.709 ( 0.575 4.345 -3.280) 5.474 9.790 ( -0.413 -2.851 -2.653) 3.917 9.850 ( -0.164 1.336 -0.911) 1.626 9.894 ( 1.002 -3.087 -2.481) 4.085 10.491 ( 2.022 5.251 0.931) 5.704 10.574 ( 3.275 -2.455 -2.507) 4.800 10.988 ( -2.241 8.055 -6.014) 10.299 11.215 ( -1.912 -14.836 -8.138) 17.029 12.021 ( 0.676 6.779 12.962) 14.643 12.113 ( 0.310 -2.234 12.611) 12.811 13.139 ( -1.337 13.251 -1.141) 13.367 13.370 ( -0.983 -10.185 -2.415) 10.513 ======================= Grid point 72 (40/88) ======================= q-point: (-0.17 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -1.310 21.416 -2.587) 21.611 1.456 ( -4.402 16.254 4.710) 17.486 1.690 ( -1.686 -8.408 2.462) 8.922 1.755 ( -1.166 -11.843 -1.429) 11.986 1.991 ( 1.013 -0.355 2.143) 2.397 2.047 ( 4.742 -3.589 2.528) 6.462 2.191 ( 6.324 4.221 -2.837) 8.116 2.282 ( 1.746 -2.526 -3.933) 4.989 2.392 ( -1.084 5.361 -0.958) 5.552 2.524 ( -0.525 -6.246 -4.267) 7.583 2.639 ( -0.415 2.497 -2.948) 3.885 2.682 ( -0.025 0.367 2.754) 2.778 2.809 ( -11.250 13.130 5.458) 18.132 2.918 ( -3.632 1.583 2.859) 4.886 2.998 ( 0.856 -1.159 3.711) 3.981 3.079 ( 1.914 -4.518 2.785) 5.642 3.225 ( -1.512 -1.553 -2.128) 3.037 3.314 ( -5.758 -10.943 -0.308) 12.369 3.392 ( 1.435 1.632 -3.753) 4.337 3.444 ( 0.576 -1.667 -5.290) 5.576 3.547 ( -1.272 4.443 0.178) 4.624 3.588 ( -1.509 2.282 3.516) 4.455 3.727 ( -1.305 -1.732 5.669) 6.069 3.766 ( -3.049 -3.738 -0.588) 4.859 3.849 ( 1.674 -1.302 4.306) 4.800 3.855 ( 0.899 -1.150 4.080) 4.333 4.027 ( 2.445 0.527 1.002) 2.694 4.067 ( 1.959 -2.744 0.739) 3.452 4.200 ( 2.418 1.248 1.839) 3.284 4.211 ( 4.205 0.097 1.505) 4.468 4.406 ( 2.642 1.219 2.867) 4.084 4.442 ( 6.369 -1.611 0.915) 6.633 4.528 ( -1.298 0.837 -0.437) 1.605 4.567 ( 1.767 -0.645 -5.144) 5.477 4.622 ( 3.172 3.372 -1.418) 4.841 4.728 ( 1.238 -3.548 -0.470) 3.787 4.784 ( -1.580 1.186 -0.014) 1.975 4.797 ( -0.657 0.698 -0.921) 1.329 4.869 ( -3.270 5.584 0.198) 6.475 5.016 ( -2.265 -7.604 -0.603) 7.957 5.165 ( -1.849 3.902 1.755) 4.661 5.258 ( -1.790 -5.360 2.349) 6.120 5.315 ( -3.764 3.103 1.783) 5.194 5.373 ( -2.158 -2.618 -0.655) 3.456 5.588 ( 1.220 12.748 -4.037) 13.427 5.812 ( 3.061 -7.211 -5.447) 9.541 5.923 ( -0.360 -0.439 -3.259) 3.308 5.966 ( 1.501 -2.563 -4.153) 5.106 9.705 ( 0.175 3.808 -2.853) 4.761 9.770 ( -0.602 -2.168 -2.443) 3.321 9.848 ( 0.303 1.707 -1.081) 2.043 9.907 ( 1.149 -4.324 -2.701) 5.226 10.532 ( 1.302 5.775 1.887) 6.213 10.632 ( 3.012 -3.206 -1.969) 4.820 10.941 ( 0.051 7.670 -6.292) 9.920 11.148 ( -1.110 -12.474 -10.916) 16.613 12.076 ( 0.015 6.812 12.949) 14.631 12.166 ( 0.270 -2.251 13.077) 13.272 13.109 ( -1.018 12.423 -1.250) 12.527 13.330 ( -2.087 -10.050 -1.937) 10.445 ======================= Grid point 91 (41/88) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -11.376 0.000 17.490) 20.864 0.897 ( -3.865 0.000 18.613) 19.010 1.464 ( 2.320 0.000 1.640) 2.841 1.546 ( 4.933 0.000 -3.430) 6.008 1.692 ( -8.100 0.000 36.048) 36.947 2.308 ( 6.995 0.000 2.848) 7.553 2.314 ( 1.434 0.000 -5.311) 5.501 2.404 ( -1.802 0.000 -3.074) 3.563 2.566 ( -5.818 0.000 3.604) 6.844 2.571 ( 7.484 0.000 2.342) 7.842 2.668 ( 7.186 0.000 -1.415) 7.324 2.738 ( 2.620 0.000 -2.288) 3.478 2.911 ( -9.456 0.000 0.333) 9.462 2.927 ( 6.252 0.000 -8.441) 10.504 3.103 ( -1.417 0.000 -4.101) 4.339 3.142 ( -5.247 0.000 -10.228) 11.495 3.239 ( -6.113 0.000 4.489) 7.584 3.369 ( 4.489 0.000 4.642) 6.458 3.426 ( 3.885 0.000 3.334) 5.119 3.443 ( -2.516 0.000 0.845) 2.654 3.463 ( 0.789 0.000 0.726) 1.072 3.538 ( -2.567 0.000 -1.000) 2.755 3.645 ( -2.109 0.000 -5.626) 6.008 3.895 ( 2.331 0.000 -7.007) 7.385 3.938 ( -2.437 0.000 -0.208) 2.446 3.967 ( 3.308 0.000 -0.521) 3.348 4.101 ( 0.878 0.000 -1.896) 2.090 4.165 ( 2.614 0.000 -3.515) 4.381 4.230 ( -3.493 0.000 3.203) 4.740 4.256 ( -3.704 0.000 1.146) 3.877 4.321 ( 3.529 0.000 3.012) 4.639 4.407 ( 1.790 0.000 2.495) 3.071 4.428 ( 1.758 0.000 -0.334) 1.789 4.481 ( -6.440 0.000 4.812) 8.039 4.588 ( 3.621 0.000 2.903) 4.641 4.631 ( 0.124 0.000 -5.129) 5.130 4.676 ( 1.243 0.000 -1.454) 1.912 4.788 ( 0.084 0.000 4.764) 4.764 4.844 ( 1.224 0.000 -4.564) 4.725 4.977 ( -1.095 0.000 -2.115) 2.382 5.092 ( -0.314 0.000 -2.857) 2.874 5.096 ( 3.986 0.000 -1.280) 4.186 5.440 ( -1.120 0.000 4.137) 4.286 5.521 ( 1.909 0.000 3.850) 4.297 5.669 ( 1.845 0.000 -1.619) 2.455 5.754 ( -1.177 0.000 0.634) 1.337 5.875 ( -10.617 0.000 -1.379) 10.706 6.019 ( 1.365 0.000 -8.585) 8.692 9.635 ( -0.734 0.000 3.500) 3.576 9.777 ( -0.450 0.000 2.698) 2.735 9.839 ( 0.421 0.000 -1.513) 1.571 10.000 ( -5.296 0.000 -5.712) 7.789 10.431 ( 2.765 0.000 -1.271) 3.043 10.492 ( -17.720 0.000 0.573) 17.729 10.882 ( -3.262 0.000 6.556) 7.323 11.218 ( 19.483 0.000 -6.718) 20.608 12.035 ( -0.139 0.000 3.896) 3.899 12.328 ( -0.648 0.000 -4.141) 4.191 12.697 ( 3.941 0.000 13.529) 14.091 13.425 ( 0.484 0.000 -8.043) 8.057 ======================= Grid point 92 (42/88) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 4.726 0.000 13.738) 14.528 0.970 ( 5.065 0.000 16.241) 17.012 1.411 ( -5.318 0.000 0.169) 5.321 1.676 ( 8.810 0.000 -2.076) 9.051 1.824 ( 5.634 0.000 34.435) 34.893 2.267 ( -9.142 0.000 3.574) 9.816 2.289 ( -2.134 0.000 -5.705) 6.091 2.354 ( -2.681 0.000 1.853) 3.259 2.570 ( -14.952 0.000 1.082) 14.991 2.628 ( 9.473 0.000 -1.646) 9.614 2.713 ( 3.439 0.000 1.590) 3.789 2.786 ( 5.331 0.000 -2.085) 5.724 2.910 ( 5.678 0.000 -6.875) 8.916 2.953 ( -2.459 0.000 -7.972) 8.343 3.031 ( -0.535 0.000 -4.810) 4.840 3.075 ( 2.674 0.000 -5.842) 6.424 3.136 ( -5.374 0.000 4.815) 7.215 3.370 ( -8.543 0.000 3.490) 9.228 3.401 ( 0.775 0.000 -0.751) 1.079 3.432 ( 1.893 0.000 1.292) 2.292 3.500 ( 0.148 0.000 1.814) 1.820 3.519 ( -2.793 0.000 7.771) 8.258 3.690 ( 3.867 0.000 -3.878) 5.477 3.885 ( -0.274 0.000 -2.657) 2.671 3.896 ( -1.434 0.000 -1.847) 2.338 4.019 ( 0.691 0.000 0.371) 0.784 4.110 ( 1.444 0.000 -4.153) 4.397 4.160 ( -1.521 0.000 3.023) 3.384 4.173 ( 0.454 0.000 -5.179) 5.199 4.233 ( 2.818 0.000 -1.957) 3.431 4.269 ( -10.252 0.000 3.948) 10.986 4.441 ( 4.882 0.000 3.349) 5.921 4.471 ( 1.970 0.000 -0.604) 2.061 4.595 ( -0.318 0.000 -5.029) 5.039 4.628 ( -5.036 0.000 -3.280) 6.010 4.631 ( 9.472 0.000 -2.817) 9.882 4.670 ( 5.624 0.000 1.546) 5.832 4.824 ( 2.805 0.000 3.466) 4.459 4.914 ( 4.516 0.000 -2.131) 4.994 4.929 ( -1.334 0.000 -0.924) 1.623 5.067 ( -1.073 0.000 -3.070) 3.252 5.156 ( 2.012 0.000 -1.900) 2.768 5.415 ( -3.425 0.000 4.357) 5.542 5.570 ( -0.252 0.000 4.715) 4.722 5.649 ( -9.052 0.000 3.929) 9.868 5.691 ( 1.159 0.000 -2.208) 2.494 5.722 ( -2.457 0.000 1.526) 2.893 6.017 ( 1.526 0.000 -8.438) 8.575 9.636 ( -0.501 0.000 3.701) 3.735 9.770 ( -1.156 0.000 2.628) 2.871 9.853 ( 1.629 0.000 -1.687) 2.345 9.868 ( -5.271 0.000 1.121) 5.389 10.322 ( -3.377 0.000 2.257) 4.062 10.471 ( 1.052 0.000 0.511) 1.169 10.847 ( -1.925 0.000 4.596) 4.983 11.503 ( 13.597 0.000 -10.861) 17.402 12.053 ( 0.345 0.000 4.150) 4.164 12.241 ( -5.890 0.000 -3.784) 7.000 12.808 ( 2.144 0.000 9.087) 9.337 13.411 ( 1.096 0.000 -8.308) 8.381 ======================= Grid point 93 (43/88) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 11.844 0.000 8.791) 14.750 1.166 ( 9.801 0.000 10.068) 14.051 1.329 ( -2.558 0.000 -0.906) 2.714 1.803 ( 1.431 0.000 2.677) 3.035 1.931 ( -9.161 0.000 19.301) 21.365 2.188 ( -4.389 0.000 -2.875) 5.247 2.231 ( 6.693 0.000 18.302) 19.487 2.313 ( -10.263 0.000 -8.221) 13.149 2.339 ( 1.283 0.000 -3.111) 3.366 2.678 ( -4.721 0.000 -0.755) 4.781 2.774 ( 4.299 0.000 1.075) 4.431 2.810 ( -2.483 0.000 -3.411) 4.220 2.823 ( -7.208 0.000 -6.351) 9.607 2.989 ( 7.780 0.000 -7.915) 11.098 3.083 ( 0.435 0.000 3.731) 3.756 3.137 ( 3.489 0.000 -3.891) 5.226 3.174 ( 8.364 0.000 7.640) 11.328 3.236 ( -6.231 0.000 2.528) 6.724 3.374 ( -6.686 0.000 3.475) 7.535 3.446 ( 0.529 0.000 1.241) 1.349 3.510 ( 3.998 0.000 0.609) 4.044 3.533 ( 2.599 0.000 4.407) 5.116 3.693 ( -1.581 0.000 1.611) 2.257 3.803 ( -6.982 0.000 -2.494) 7.414 3.912 ( 1.050 0.000 -2.467) 2.681 4.019 ( -0.075 0.000 1.373) 1.375 4.080 ( -6.961 0.000 8.727) 11.163 4.118 ( 0.464 0.000 -5.772) 5.791 4.173 ( 1.341 0.000 -4.493) 4.689 4.233 ( 4.793 0.000 -1.492) 5.020 4.319 ( 5.629 0.000 -4.786) 7.388 4.428 ( -6.090 0.000 1.010) 6.173 4.508 ( 0.961 0.000 0.408) 1.044 4.530 ( -2.874 0.000 -6.479) 7.088 4.631 ( 5.151 0.000 -4.534) 6.862 4.647 ( -0.601 0.000 -0.891) 1.075 4.829 ( 4.436 0.000 0.623) 4.479 4.875 ( 1.258 0.000 1.493) 1.952 4.952 ( -0.707 0.000 -0.458) 0.842 4.967 ( 5.436 0.000 -5.742) 7.907 5.055 ( 1.469 0.000 -2.507) 2.906 5.160 ( -0.377 0.000 -2.248) 2.279 5.334 ( -6.155 0.000 7.934) 10.041 5.476 ( -5.027 0.000 6.699) 8.375 5.674 ( -2.984 0.000 2.814) 4.102 5.684 ( 5.045 0.000 0.619) 5.083 5.705 ( 1.318 0.000 -4.044) 4.253 6.020 ( 1.647 0.000 -8.313) 8.475 9.640 ( -0.458 0.000 3.998) 4.024 9.755 ( -1.158 0.000 2.478) 2.736 9.828 ( -0.018 0.000 1.047) 1.047 9.890 ( 2.852 0.000 -1.850) 3.400 10.309 ( 0.716 0.000 1.497) 1.660 10.465 ( -1.619 0.000 -0.118) 1.624 10.849 ( 0.259 0.000 5.447) 5.453 11.668 ( 8.110 0.000 -13.427) 15.686 12.069 ( -0.086 0.000 3.525) 3.526 12.110 ( -6.246 0.000 -1.721) 6.479 12.830 ( -2.787 0.000 9.911) 10.296 13.413 ( 1.984 0.000 -7.933) 8.177 ======================= Grid point 94 (44/88) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 1.679 0.000 8.843) 9.001 1.330 ( 1.228 0.000 3.673) 3.872 1.348 ( 5.283 0.000 -1.870) 5.604 1.711 ( -7.556 0.000 9.549) 12.177 1.788 ( -7.656 0.000 15.567) 17.348 2.103 ( -7.757 0.000 -9.995) 12.652 2.232 ( 7.966 0.000 -3.900) 8.869 2.377 ( 3.906 0.000 -6.040) 7.193 2.444 ( 2.004 0.000 20.586) 20.683 2.587 ( -3.936 0.000 -1.285) 4.141 2.636 ( -9.482 0.000 4.479) 10.487 2.754 ( -1.079 0.000 -5.799) 5.899 2.769 ( -3.906 0.000 -3.116) 4.997 3.080 ( -1.050 0.000 4.473) 4.595 3.123 ( 6.742 0.000 -4.244) 7.966 3.126 ( -1.457 0.000 -2.333) 2.751 3.180 ( -0.003 0.000 3.715) 3.715 3.355 ( 4.948 0.000 9.061) 10.324 3.383 ( 4.734 0.000 0.114) 4.735 3.427 ( -0.314 0.000 0.498) 0.589 3.545 ( -2.232 0.000 4.281) 4.828 3.588 ( -2.581 0.000 3.216) 4.124 3.707 ( 2.358 0.000 1.446) 2.766 3.741 ( 7.284 0.000 -4.591) 8.610 3.863 ( -3.413 0.000 -1.006) 3.558 4.013 ( -1.074 0.000 -1.448) 1.803 4.041 ( -0.992 0.000 7.032) 7.102 4.125 ( 1.207 0.000 -4.586) 4.742 4.152 ( -4.062 0.000 -6.576) 7.729 4.297 ( 1.598 0.000 -0.730) 1.757 4.313 ( -1.951 0.000 4.576) 4.974 4.408 ( 3.262 0.000 -6.514) 7.285 4.467 ( -1.594 0.000 -5.487) 5.714 4.501 ( 0.250 0.000 -2.241) 2.255 4.670 ( 2.953 0.000 -0.824) 3.066 4.709 ( 3.933 0.000 -5.375) 6.660 4.826 ( -4.451 0.000 1.672) 4.755 4.865 ( -2.880 0.000 0.587) 2.940 4.926 ( -0.503 0.000 -0.154) 0.526 5.003 ( -1.726 0.000 -0.726) 1.872 5.083 ( 1.456 0.000 -1.161) 1.863 5.127 ( -1.522 0.000 -6.062) 6.250 5.314 ( 1.477 0.000 8.123) 8.256 5.439 ( -1.343 0.000 4.541) 4.735 5.633 ( -1.904 0.000 1.694) 2.548 5.721 ( 1.826 0.000 -3.729) 4.152 5.790 ( 6.011 0.000 -0.176) 6.013 6.023 ( 1.628 0.000 -8.361) 8.518 9.644 ( -0.641 0.000 4.124) 4.174 9.747 ( -0.503 0.000 2.316) 2.370 9.845 ( 1.030 0.000 -0.620) 1.202 9.949 ( 4.186 0.000 -2.757) 5.012 10.358 ( 4.050 0.000 2.763) 4.903 10.424 ( -1.873 0.000 -2.043) 2.772 10.882 ( 0.480 0.000 7.808) 7.823 11.681 ( -2.024 0.000 -21.373) 21.469 12.042 ( -0.294 0.000 5.161) 5.170 12.070 ( -1.019 0.000 2.691) 2.878 12.786 ( -5.375 0.000 11.455) 12.654 13.429 ( 2.236 0.000 -7.325) 7.659 ======================= Grid point 95 (45/88) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -6.454 0.000 16.301) 17.532 1.192 ( -13.440 0.000 7.759) 15.519 1.368 ( -2.356 0.000 -1.805) 2.967 1.646 ( -5.444 0.000 0.595) 5.476 1.855 ( 9.059 0.000 10.728) 14.042 2.048 ( 6.453 0.000 -5.108) 8.230 2.203 ( -22.914 0.000 18.837) 29.663 2.382 ( 7.745 0.000 -0.151) 7.746 2.445 ( 1.689 0.000 2.316) 2.866 2.531 ( -1.368 0.000 -1.768) 2.235 2.688 ( 1.303 0.000 -1.571) 2.041 2.697 ( 3.445 0.000 -2.200) 4.087 2.717 ( -1.383 0.000 -5.104) 5.288 3.065 ( -0.383 0.000 0.322) 0.500 3.136 ( 3.317 0.000 -2.373) 4.078 3.204 ( -0.715 0.000 4.357) 4.416 3.235 ( 5.612 0.000 -2.053) 5.976 3.359 ( -2.747 0.000 1.699) 3.230 3.374 ( -4.274 0.000 4.141) 5.951 3.418 ( -3.580 0.000 1.049) 3.731 3.592 ( 0.984 0.000 7.362) 7.427 3.616 ( 4.812 0.000 0.466) 4.834 3.753 ( 4.112 0.000 1.821) 4.498 3.810 ( -2.037 0.000 -4.559) 4.994 3.910 ( 6.338 0.000 -0.074) 6.338 3.967 ( -1.271 0.000 -4.923) 5.084 4.020 ( -3.331 0.000 -9.069) 9.662 4.064 ( 1.381 0.000 5.236) 5.415 4.130 ( 0.486 0.000 0.205) 0.527 4.295 ( -1.094 0.000 -1.185) 1.613 4.326 ( -0.539 0.000 2.697) 2.750 4.435 ( 1.796 0.000 -4.320) 4.678 4.451 ( 2.172 0.000 -1.735) 2.780 4.506 ( 0.146 0.000 0.103) 0.179 4.681 ( -5.827 0.000 -2.937) 6.525 4.728 ( 0.213 0.000 -4.241) 4.246 4.779 ( 4.304 0.000 1.962) 4.730 4.801 ( -3.059 0.000 -2.267) 3.808 4.884 ( -9.608 0.000 0.107) 9.608 4.928 ( 0.083 0.000 -0.463) 0.471 5.095 ( 0.228 0.000 -0.491) 0.541 5.099 ( -0.506 0.000 -1.646) 1.722 5.385 ( 2.700 0.000 5.143) 5.808 5.446 ( 0.448 0.000 3.352) 3.381 5.619 ( 0.163 0.000 0.204) 0.261 5.745 ( 1.662 0.000 -2.633) 3.113 5.905 ( 6.043 0.000 -1.290) 6.179 6.024 ( 1.499 0.000 -8.486) 8.617 9.643 ( -0.841 0.000 3.952) 4.040 9.753 ( 0.267 0.000 2.328) 2.344 9.852 ( 0.083 0.000 -1.270) 1.273 10.018 ( 4.071 0.000 -5.134) 6.552 10.392 ( -0.385 0.000 -3.212) 3.235 10.503 ( 10.717 0.000 4.166) 11.498 10.910 ( -0.709 0.000 9.226) 9.253 11.448 ( -14.101 0.000 -22.821) 26.827 12.052 ( -1.525 0.000 2.421) 2.861 12.118 ( 5.361 0.000 5.926) 7.991 12.715 ( -6.163 0.000 12.610) 14.035 13.443 ( 1.633 0.000 -7.086) 7.271 ======================= Grid point 96 (46/88) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -11.061 0.000 14.527) 18.259 1.010 ( -15.456 0.000 17.619) 23.437 1.373 ( 3.204 0.000 4.124) 5.222 1.539 ( -3.054 0.000 -3.436) 4.597 1.864 ( -19.393 0.000 27.504) 33.654 2.097 ( 11.949 0.000 5.379) 13.104 2.219 ( 10.380 0.000 -5.324) 11.666 2.449 ( -1.242 0.000 -2.104) 2.443 2.493 ( 0.628 0.000 6.364) 6.395 2.539 ( 5.875 0.000 -4.381) 7.329 2.654 ( -2.774 0.000 1.825) 3.320 2.689 ( 1.403 0.000 -4.019) 4.257 2.816 ( 7.402 0.000 -6.047) 9.558 3.051 ( -2.616 0.000 -2.492) 3.613 3.145 ( -3.022 0.000 -1.395) 3.328 3.241 ( 6.279 0.000 2.787) 6.870 3.254 ( -4.027 0.000 -1.580) 4.326 3.325 ( -2.493 0.000 -3.670) 4.437 3.357 ( 0.239 0.000 7.079) 7.083 3.380 ( 1.933 0.000 5.333) 5.672 3.560 ( -5.869 0.000 3.304) 6.735 3.607 ( -2.795 0.000 -5.187) 5.892 3.739 ( -3.493 0.000 -5.556) 6.563 3.895 ( 6.181 0.000 4.114) 7.425 3.900 ( -0.440 0.000 -8.024) 8.036 3.931 ( 0.330 0.000 -2.230) 2.255 4.092 ( 6.476 0.000 -4.129) 7.680 4.104 ( -0.043 0.000 -0.841) 0.842 4.171 ( 4.542 0.000 3.457) 5.708 4.271 ( -0.212 0.000 2.128) 2.139 4.309 ( -2.012 0.000 2.666) 3.340 4.419 ( -0.633 0.000 -1.489) 1.618 4.493 ( -4.868 0.000 0.682) 4.916 4.550 ( -3.355 0.000 2.032) 3.922 4.552 ( 6.290 0.000 0.597) 6.318 4.665 ( -11.882 0.000 1.993) 12.048 4.707 ( -1.328 0.000 -4.369) 4.566 4.755 ( 0.396 0.000 -2.736) 2.764 4.900 ( -3.028 0.000 -0.663) 3.100 4.912 ( 7.315 0.000 -2.226) 7.646 5.080 ( -1.146 0.000 -0.020) 1.146 5.097 ( 0.409 0.000 -1.623) 1.674 5.433 ( 0.456 0.000 4.628) 4.651 5.476 ( 1.514 0.000 3.384) 3.707 5.638 ( 1.712 0.000 -0.896) 1.932 5.761 ( 0.487 0.000 -1.019) 1.129 5.977 ( 0.968 0.000 -3.668) 3.793 6.022 ( 1.361 0.000 -8.586) 8.693 9.639 ( -0.895 0.000 3.621) 3.730 9.768 ( 0.330 0.000 2.566) 2.588 9.844 ( -0.283 0.000 -1.403) 1.432 10.053 ( 1.395 0.000 -7.093) 7.229 10.393 ( 1.683 0.000 -2.983) 3.425 10.778 ( 12.851 0.000 -3.727) 13.381 10.912 ( -2.377 0.000 8.738) 9.056 11.028 ( -18.512 0.000 -10.361) 21.214 12.035 ( -1.077 0.000 2.999) 3.186 12.258 ( 7.156 0.000 1.677) 7.350 12.653 ( -4.335 0.000 14.545) 15.178 13.441 ( 0.768 0.000 -7.428) 7.468 ======================= Grid point 97 (47/88) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -2.075 5.471 16.933) 17.916 0.962 ( -7.531 10.419 17.307) 21.560 1.525 ( 4.584 6.786 -3.348) 8.847 1.639 ( 0.062 8.391 -1.235) 8.481 1.892 ( -5.844 15.803 28.331) 32.963 2.272 ( 3.001 -1.585 0.601) 3.447 2.316 ( 2.433 -3.004 2.144) 4.421 2.365 ( -0.754 -2.249 -5.861) 6.323 2.451 ( 0.103 -6.701 -0.003) 6.702 2.502 ( 7.590 -8.481 -1.474) 11.477 2.652 ( -2.133 -2.482 -0.610) 3.329 2.728 ( 4.439 -0.056 3.689) 5.772 2.855 ( -8.357 -3.737 0.896) 9.198 2.990 ( 5.659 2.509 -7.155) 9.461 3.091 ( -1.168 0.766 -4.797) 4.996 3.181 ( -3.657 0.328 -3.161) 4.845 3.210 ( -4.980 -3.358 1.717) 6.247 3.268 ( -0.607 -4.431 1.229) 4.638 3.374 ( 1.324 -3.468 0.178) 3.717 3.428 ( 2.260 -1.703 2.276) 3.632 3.490 ( -0.780 2.245 2.666) 3.571 3.597 ( -0.418 -3.328 -4.794) 5.851 3.653 ( -1.548 7.323 -2.065) 7.765 3.879 ( 1.442 -1.054 -3.956) 4.341 3.932 ( 1.340 -1.171 0.597) 1.878 3.974 ( 1.101 0.062 0.121) 1.110 4.041 ( -0.841 -1.968 -2.574) 3.347 4.203 ( -2.465 -0.024 1.672) 2.979 4.217 ( 1.558 0.476 -4.176) 4.483 4.248 ( -2.191 1.528 2.456) 3.629 4.337 ( 2.036 -0.573 0.257) 2.131 4.416 ( -3.017 1.102 5.220) 6.129 4.501 ( 2.794 4.187 0.319) 5.044 4.572 ( -2.915 6.026 3.468) 7.539 4.603 ( 0.697 3.010 2.505) 3.977 4.686 ( 4.139 3.422 -2.471) 5.911 4.703 ( -0.781 -0.593 -0.086) 0.984 4.773 ( 1.909 1.872 0.350) 2.697 4.883 ( 1.760 2.169 -3.582) 4.542 4.970 ( -0.119 0.296 -3.361) 3.376 5.068 ( 1.929 -0.994 -1.320) 2.540 5.104 ( 0.019 1.228 -4.377) 4.546 5.427 ( -1.896 -1.438 4.430) 5.028 5.475 ( 1.298 -4.365 4.040) 6.087 5.605 ( -2.410 -6.112 3.855) 7.617 5.726 ( -0.138 -0.632 -2.286) 2.376 5.891 ( -5.319 0.188 -3.928) 6.615 6.000 ( 1.774 -2.169 -8.395) 8.850 9.612 ( -0.435 -1.656 1.975) 2.614 9.771 ( 0.209 -0.759 0.721) 1.067 9.832 ( -0.189 -0.458 -0.499) 0.703 9.979 ( -3.309 -2.004 -4.605) 6.014 10.450 ( -6.518 0.457 1.735) 6.761 10.460 ( -2.490 0.533 -0.725) 2.647 10.960 ( -4.428 4.157 0.043) 6.073 11.169 ( 16.659 -4.664 -6.805) 18.590 12.060 ( -1.399 3.629 7.714) 8.639 12.359 ( -1.651 2.693 0.248) 3.168 12.765 ( 3.526 6.233 9.211) 11.667 13.415 ( -0.266 -1.415 -7.684) 7.818 ======================= Grid point 98 (48/88) ======================= q-point: ( 0.17 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 2.153 12.742 12.146) 17.735 1.011 ( 6.155 4.898 16.138) 17.953 1.533 ( -3.722 11.047 -1.889) 11.809 1.690 ( 6.548 2.762 -1.163) 7.201 1.991 ( 4.850 12.333 25.288) 28.550 2.217 ( -8.034 -3.290 5.198) 10.119 2.291 ( -4.417 -2.422 -4.261) 6.598 2.343 ( -1.302 -0.128 3.108) 3.372 2.467 ( -1.801 -4.384 -2.692) 5.450 2.580 ( -0.291 -6.487 -2.011) 6.798 2.644 ( 4.178 -8.908 -4.398) 10.778 2.752 ( 1.425 -0.230 0.948) 1.727 2.888 ( 7.903 -2.944 2.140) 8.701 2.942 ( -3.604 -0.703 -9.892) 10.552 3.035 ( -4.002 2.718 -3.573) 6.014 3.126 ( -3.047 -0.404 6.325) 7.032 3.201 ( 3.629 7.081 -6.451) 10.243 3.259 ( -0.031 -6.841 3.075) 7.500 3.380 ( -0.613 -2.753 -2.004) 3.460 3.428 ( -0.176 -0.453 3.389) 3.424 3.483 ( -1.420 -1.184 2.435) 3.058 3.608 ( -0.728 2.504 0.876) 2.751 3.668 ( 2.481 1.175 0.224) 2.754 3.878 ( -1.487 -0.331 -0.884) 1.761 3.912 ( -1.323 0.857 -2.393) 2.866 4.017 ( 2.595 -4.212 -2.232) 5.427 4.024 ( -1.278 -0.886 -0.574) 1.658 4.126 ( -2.639 -0.361 0.770) 2.772 4.188 ( -0.201 -0.893 0.049) 0.916 4.250 ( -3.360 1.783 -0.264) 3.813 4.329 ( -1.347 3.084 -0.815) 3.462 4.426 ( 2.396 1.383 2.137) 3.496 4.506 ( -2.310 -2.175 1.405) 3.470 4.572 ( 0.475 1.895 -0.903) 2.152 4.657 ( 5.922 2.418 1.732) 6.627 4.710 ( 1.657 2.881 -3.844) 5.082 4.754 ( 1.984 7.022 -2.221) 7.627 4.837 ( 2.393 1.421 1.236) 3.045 4.904 ( 1.820 -1.230 -2.772) 3.537 4.943 ( 1.603 2.225 -2.593) 3.775 5.076 ( -0.539 1.742 -3.529) 3.973 5.130 ( 2.894 -2.069 -1.969) 4.066 5.381 ( -4.750 -3.327 4.987) 7.648 5.518 ( -0.737 -6.994 4.202) 8.192 5.544 ( -2.473 -2.656 5.984) 6.998 5.715 ( -0.152 0.187 -3.110) 3.119 5.780 ( -4.055 2.890 -1.699) 5.261 6.007 ( 1.787 -1.401 -8.202) 8.510 9.615 ( 0.006 -1.484 1.743) 2.289 9.774 ( -0.222 0.201 0.903) 0.951 9.837 ( 1.168 -1.342 -1.320) 2.216 9.889 ( -4.092 1.354 0.297) 4.320 10.330 ( -3.132 1.318 2.297) 4.101 10.485 ( 0.749 1.221 -0.324) 1.468 10.901 ( -2.085 3.998 0.642) 4.555 11.433 ( 13.430 -6.986 -9.872) 18.073 12.052 ( -2.063 1.395 5.990) 6.487 12.290 ( -5.013 4.220 1.810) 6.798 12.852 ( 1.577 4.324 7.181) 8.529 13.396 ( 1.233 -1.670 -7.794) 8.066 ======================= Grid point 99 (49/88) ======================= q-point: ( 0.33 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 8.101 6.396 9.610) 14.103 1.224 ( 10.179 5.630 9.574) 15.065 1.439 ( -5.089 9.526 -0.530) 10.813 1.782 ( 0.208 -0.086 3.072) 3.080 2.012 ( -12.165 5.084 14.001) 19.231 2.138 ( -0.578 -3.551 -0.758) 3.676 2.252 ( 2.383 -1.685 -0.503) 2.962 2.327 ( -2.825 4.102 -0.302) 4.990 2.388 ( 1.988 5.986 2.628) 6.833 2.561 ( -2.978 -8.198 -1.204) 8.805 2.690 ( -1.336 -6.844 -3.723) 7.905 2.754 ( 2.241 -7.305 -5.777) 9.579 2.910 ( -2.304 4.002 -1.881) 4.986 2.965 ( 2.608 -1.892 -3.631) 4.854 3.047 ( 4.669 -0.046 6.000) 7.603 3.122 ( 1.965 0.636 5.416) 5.796 3.235 ( -2.703 2.139 1.551) 3.780 3.266 ( 2.632 4.415 -0.162) 5.142 3.380 ( -0.509 -4.250 0.530) 4.313 3.464 ( 1.797 2.047 1.374) 3.051 3.481 ( 3.032 -2.095 0.708) 3.753 3.565 ( -2.391 3.743 4.754) 6.506 3.690 ( -1.772 -0.023 2.893) 3.393 3.805 ( -5.706 1.245 -2.133) 6.218 3.856 ( -1.939 -3.113 0.246) 3.676 4.024 ( 1.739 -5.174 -2.891) 6.177 4.068 ( 4.213 -1.359 -5.015) 6.689 4.085 ( -6.659 0.556 6.590) 9.385 4.163 ( 1.075 0.388 -3.449) 3.633 4.215 ( 1.990 -0.001 0.972) 2.215 4.357 ( -0.528 0.244 -1.396) 1.513 4.401 ( -4.203 -4.192 -0.036) 5.937 4.462 ( 0.546 4.028 -1.741) 4.422 4.610 ( 2.648 3.022 0.361) 4.035 4.681 ( -3.173 3.778 -5.206) 7.173 4.746 ( 2.827 5.643 -4.959) 8.027 4.806 ( 5.090 -1.301 -0.827) 5.319 4.856 ( -0.660 -0.049 2.724) 2.803 4.918 ( -0.179 -3.007 -1.028) 3.183 4.994 ( 2.399 0.479 -2.855) 3.759 5.081 ( 2.051 3.055 -3.709) 5.225 5.168 ( 2.534 1.018 -2.044) 3.412 5.289 ( -6.203 -3.668 7.784) 10.607 5.454 ( -3.673 -1.965 5.675) 7.039 5.610 ( 4.076 -4.217 1.444) 6.040 5.682 ( -2.517 0.310 0.348) 2.560 5.749 ( 1.604 1.855 -4.643) 5.251 6.010 ( 1.380 -1.196 -7.856) 8.066 9.622 ( 0.015 -1.538 1.833) 2.393 9.767 ( -0.932 1.381 1.377) 2.162 9.849 ( -0.485 1.329 0.886) 1.669 9.868 ( 2.609 -2.081 -2.197) 3.995 10.318 ( 0.691 1.252 1.594) 2.142 10.478 ( -1.091 0.973 -0.567) 1.568 10.882 ( -0.580 2.731 2.014) 3.443 11.598 ( 7.724 -7.623 -13.873) 17.613 12.017 ( -3.258 -0.401 4.905) 5.902 12.215 ( -3.463 6.518 4.875) 8.845 12.865 ( -2.700 3.819 8.493) 9.696 13.409 ( 2.702 -0.809 -7.966) 8.450 ======================= Grid point 100 (50/88) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 1.220 4.099 7.910) 8.992 1.305 ( -3.982 -2.323 5.955) 7.531 1.438 ( 5.051 9.917 0.538) 11.142 1.743 ( -1.518 3.004 8.348) 9.001 1.840 ( -9.153 5.176 12.220) 16.122 2.115 ( -6.649 1.124 -8.353) 10.735 2.203 ( 6.140 -2.236 -4.731) 8.068 2.381 ( 3.902 -0.521 -8.359) 9.240 2.477 ( -2.921 -7.209 -0.937) 7.835 2.512 ( 2.833 3.110 12.112) 12.822 2.608 ( -4.046 -4.512 -1.566) 6.259 2.761 ( -1.819 -0.328 -3.221) 3.713 2.827 ( -6.432 6.257 6.250) 10.935 3.047 ( 4.976 -3.386 -2.967) 6.710 3.088 ( 0.297 1.021 2.489) 2.707 3.186 ( -1.713 4.887 0.206) 5.183 3.215 ( 2.185 -3.594 5.178) 6.671 3.282 ( 2.096 5.878 1.886) 6.519 3.393 ( 0.605 -3.375 0.797) 3.520 3.495 ( 1.070 -2.982 3.698) 4.869 3.540 ( -2.259 3.305 4.345) 5.908 3.573 ( 1.149 -1.428 3.948) 4.352 3.657 ( 1.365 -1.516 -1.867) 2.765 3.762 ( 2.821 1.842 -2.680) 4.306 3.836 ( -0.011 -1.850 0.853) 2.037 3.984 ( -3.402 0.359 3.388) 4.815 4.079 ( 3.170 -3.998 -0.107) 5.104 4.104 ( -0.081 -1.034 -6.349) 6.433 4.203 ( 3.369 2.901 -6.594) 7.952 4.218 ( -3.123 -0.757 1.158) 3.416 4.292 ( -1.493 -2.056 5.318) 5.893 4.361 ( -0.437 -3.850 -0.492) 3.906 4.491 ( 1.863 3.985 -4.964) 6.633 4.598 ( -3.118 4.457 -4.354) 6.967 4.664 ( 2.819 0.156 -0.154) 2.828 4.741 ( -1.100 1.404 -5.847) 6.113 4.813 ( -4.824 -1.420 4.662) 6.857 4.863 ( 0.877 -0.706 -1.306) 1.725 4.920 ( 0.701 0.737 -2.276) 2.493 5.013 ( 0.632 0.249 -0.086) 0.684 5.096 ( -0.112 1.048 0.452) 1.147 5.144 ( -3.279 2.012 -3.776) 5.390 5.295 ( 3.715 -0.765 4.857) 6.162 5.426 ( -1.236 -1.225 3.981) 4.345 5.640 ( -1.942 -0.193 1.362) 2.380 5.679 ( 2.855 -2.977 -1.754) 4.482 5.795 ( 4.691 0.077 -3.889) 6.094 6.007 ( 1.103 -1.677 -7.728) 7.984 9.625 ( -0.357 -1.697 2.145) 2.759 9.755 ( -0.705 1.289 1.726) 2.266 9.855 ( 0.502 0.505 -0.482) 0.860 9.920 ( 3.814 -2.767 -3.266) 5.734 10.364 ( 3.562 1.068 2.537) 4.501 10.450 ( -1.096 1.837 -2.196) 3.066 10.885 ( -0.451 0.285 4.463) 4.495 11.598 ( -2.191 -8.675 -20.359) 22.238 12.000 ( -0.349 1.302 8.837) 8.939 12.196 ( -0.515 7.368 5.365) 9.129 12.821 ( -4.901 4.126 9.965) 11.846 13.436 ( 2.729 0.026 -7.763) 8.229 ======================= Grid point 101 (51/88) ======================= q-point: (-0.33 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -12.243 -3.331 11.367) 17.035 1.264 ( -8.421 6.030 13.928) 17.357 1.486 ( 0.621 9.335 -3.439) 9.968 1.719 ( -4.548 7.412 1.213) 8.780 1.874 ( 8.052 1.734 8.398) 11.762 2.062 ( 5.072 1.482 -3.360) 6.262 2.249 ( -7.104 -1.617 0.304) 7.292 2.333 ( -0.776 -2.461 3.818) 4.608 2.478 ( 2.487 0.002 -1.188) 2.756 2.505 ( -6.880 -0.155 5.610) 8.879 2.588 ( 1.288 -3.940 -0.603) 4.189 2.727 ( 1.038 2.763 1.746) 3.429 2.762 ( -0.024 1.637 -2.627) 3.095 3.061 ( -2.623 -1.191 1.975) 3.493 3.127 ( 2.573 -3.542 -1.155) 4.528 3.188 ( 3.052 3.486 -4.653) 6.567 3.251 ( -0.238 -2.352 5.841) 6.302 3.313 ( -0.122 1.765 -0.754) 1.923 3.383 ( -2.164 0.251 -3.321) 3.972 3.449 ( -4.472 0.253 8.990) 10.044 3.537 ( -1.613 -5.902 3.518) 7.058 3.668 ( 1.582 2.411 -3.046) 4.195 3.676 ( 6.726 -3.360 3.272) 8.200 3.805 ( 1.120 1.239 -2.997) 3.431 3.900 ( 3.959 -1.152 1.492) 4.384 3.954 ( -0.634 0.218 1.334) 1.493 4.011 ( -3.877 -0.052 -8.550) 9.388 4.145 ( 2.864 0.318 0.390) 2.908 4.203 ( 1.810 0.803 1.307) 2.372 4.214 ( -0.597 3.037 -0.420) 3.123 4.343 ( 1.489 1.732 4.571) 5.110 4.367 ( 2.597 -5.179 -2.027) 6.138 4.475 ( -0.637 -0.080 -3.944) 3.996 4.559 ( -0.413 3.752 -0.774) 3.853 4.656 ( -4.241 -0.754 -3.576) 5.599 4.716 ( -0.167 -1.964 -1.134) 2.274 4.765 ( 0.194 -0.550 3.461) 3.510 4.835 ( -2.396 1.995 -2.758) 4.163 4.919 ( -0.345 -1.055 -0.736) 1.331 4.967 ( -6.132 6.613 -0.094) 9.019 5.081 ( 0.885 -1.389 -0.993) 1.923 5.121 ( 0.158 3.233 -3.035) 4.437 5.378 ( 2.936 -0.638 3.914) 4.934 5.428 ( 0.079 -1.572 3.140) 3.512 5.618 ( -0.844 -0.884 1.190) 1.705 5.713 ( 1.731 -2.503 -2.654) 4.038 5.886 ( 5.540 -1.794 -3.512) 6.800 6.001 ( 1.125 -2.324 -7.867) 8.280 9.623 ( -0.670 -1.801 2.263) 2.969 9.754 ( 0.004 0.477 1.608) 1.678 9.855 ( -0.250 0.053 -0.873) 0.910 9.981 ( 3.724 -3.565 -5.102) 7.254 10.421 ( 0.283 2.821 -3.198) 4.274 10.489 ( 7.439 -1.034 3.944) 8.483 10.887 ( -1.183 -1.930 5.222) 5.691 11.401 ( -10.385 -5.453 -20.276) 23.425 12.037 ( 0.068 2.483 9.351) 9.675 12.235 ( 3.100 7.227 4.109) 8.872 12.757 ( -5.204 4.896 10.881) 13.017 13.453 ( 1.675 0.183 -7.686) 7.868 ======================= Grid point 102 (52/88) ======================= q-point: (-0.17 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -9.230 -1.415 16.742) 19.170 1.108 ( -12.258 9.181 16.399) 22.438 1.477 ( 1.121 8.179 -3.181) 8.847 1.649 ( -1.803 9.966 -1.035) 10.181 2.014 ( -13.533 10.638 19.806) 26.241 2.096 ( 10.902 0.340 3.139) 11.350 2.243 ( 9.607 1.730 -2.680) 10.123 2.359 ( -0.834 -5.529 5.030) 7.521 2.427 ( -0.113 -8.409 -3.299) 9.034 2.476 ( -1.951 -2.047 -1.012) 3.003 2.632 ( 4.250 -2.918 -0.533) 5.183 2.710 ( -2.644 0.909 0.104) 2.798 2.854 ( 7.966 1.811 -2.358) 8.503 3.003 ( -5.182 -3.327 0.647) 6.192 3.122 ( -1.587 -2.385 -2.048) 3.521 3.234 ( 1.228 -0.299 -1.023) 1.626 3.258 ( 0.124 -0.674 -3.032) 3.109 3.314 ( -0.157 -0.605 0.375) 0.729 3.338 ( -1.778 -1.882 2.796) 3.810 3.380 ( -2.646 -1.021 4.787) 5.564 3.512 ( -1.520 -1.045 1.112) 2.154 3.650 ( -1.990 -1.279 -3.247) 4.017 3.721 ( -2.837 2.926 -4.594) 6.141 3.863 ( 4.054 -2.925 -0.116) 5.001 3.897 ( -1.006 -0.175 -5.721) 5.811 3.940 ( 1.893 0.998 2.735) 3.472 4.041 ( 3.571 -0.502 -2.557) 4.421 4.166 ( 0.616 2.728 -0.645) 2.870 4.224 ( 0.322 0.256 5.225) 5.241 4.241 ( 1.323 0.355 -2.217) 2.606 4.346 ( 0.086 1.140 2.143) 2.429 4.436 ( 2.939 4.016 0.476) 5.000 4.465 ( -3.015 -4.042 2.762) 5.749 4.559 ( 0.757 3.127 1.572) 3.581 4.593 ( 1.477 1.864 -1.464) 2.793 4.689 ( -3.034 1.656 0.378) 3.477 4.751 ( -2.923 0.158 -1.443) 3.264 4.800 ( -3.796 3.172 -1.449) 5.155 4.856 ( 1.070 0.187 -1.737) 2.049 4.936 ( 1.766 1.254 -1.120) 2.439 5.085 ( -0.948 0.824 -2.147) 2.487 5.110 ( 0.482 2.274 -3.282) 4.022 5.426 ( 0.459 -0.894 4.839) 4.943 5.444 ( 0.569 -2.694 3.086) 4.136 5.615 ( -0.185 -3.125 1.586) 3.509 5.729 ( 0.705 -2.032 -2.041) 2.965 5.948 ( 1.539 -2.582 -5.034) 5.863 5.998 ( 1.388 -2.593 -8.039) 8.560 9.617 ( -0.716 -1.803 2.172) 2.912 9.763 ( 0.305 -0.453 1.170) 1.291 9.843 ( -0.625 -0.125 -0.600) 0.875 10.014 ( 1.430 -3.719 -6.348) 7.495 10.426 ( 1.633 3.131 -3.518) 4.984 10.621 ( -0.949 -7.676 4.199) 8.801 10.910 ( 6.329 -1.741 0.477) 6.581 11.124 ( -10.574 3.203 -11.392) 15.870 12.056 ( -1.045 3.859 8.524) 9.415 12.326 ( 4.293 4.689 1.899) 6.635 12.715 ( -2.460 6.343 11.431) 13.303 13.445 ( 0.228 -0.414 -7.792) 7.807 ======================= Grid point 103 (53/88) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 2.098 13.714 11.820) 18.226 1.243 ( -5.724 16.155 11.627) 20.711 1.698 ( 4.614 8.639 -4.682) 10.856 1.816 ( -1.673 7.964 0.356) 8.146 2.024 ( -0.171 -5.465 1.279) 5.615 2.179 ( 1.272 -6.702 -1.619) 7.011 2.262 ( -2.626 -2.902 1.757) 4.290 2.330 ( 5.575 -3.300 -0.714) 6.518 2.385 ( 5.714 -3.529 -2.328) 7.108 2.485 ( -4.371 11.939 10.132) 16.258 2.566 ( -3.277 -0.667 1.818) 3.806 2.690 ( 4.745 -4.092 0.444) 6.281 2.828 ( -6.986 -2.982 0.428) 7.608 2.924 ( 1.344 -4.454 4.739) 6.640 3.063 ( 0.188 -2.225 -0.232) 2.245 3.123 ( -3.714 -1.816 -1.160) 4.294 3.214 ( -1.306 -1.081 -1.316) 2.146 3.284 ( 1.859 4.570 -5.659) 7.508 3.332 ( 1.432 -1.424 -0.555) 2.094 3.396 ( -0.095 0.079 2.021) 2.025 3.503 ( -3.333 -2.094 -4.393) 5.898 3.565 ( -0.338 0.551 2.999) 3.068 3.765 ( -0.256 3.165 -2.001) 3.753 3.859 ( 1.572 -0.707 1.706) 2.425 3.894 ( -0.569 -3.674 1.155) 3.893 3.947 ( -0.303 -0.941 0.479) 1.099 4.045 ( -0.581 1.191 -1.865) 2.288 4.176 ( -1.885 -0.870 -1.084) 2.342 4.241 ( 3.449 -4.803 1.260) 6.046 4.271 ( 2.181 2.915 -3.856) 5.303 4.329 ( -4.033 3.162 2.177) 5.568 4.472 ( 0.073 1.168 3.046) 3.263 4.553 ( -4.220 3.879 2.803) 6.380 4.637 ( 1.390 1.568 3.988) 4.505 4.640 ( 2.460 -1.835 2.836) 4.179 4.683 ( 0.414 2.944 -0.259) 2.984 4.763 ( 3.521 3.070 -0.817) 4.742 4.817 ( 2.394 -0.529 -2.877) 3.780 4.847 ( 0.759 -4.112 -0.514) 4.213 5.027 ( -2.358 2.503 -4.396) 5.581 5.050 ( 1.699 1.599 -0.206) 2.342 5.203 ( -0.214 6.253 -7.101) 9.464 5.374 ( -2.453 -2.422 7.691) 8.428 5.407 ( -1.477 -2.167 2.673) 3.744 5.490 ( -0.702 -4.325 4.131) 6.022 5.728 ( 0.876 0.512 -4.818) 4.923 5.870 ( -1.873 -2.106 -6.503) 7.088 5.926 ( 2.511 -5.482 -7.629) 9.724 9.599 ( 0.305 0.661 -0.945) 1.193 9.741 ( 0.695 -2.219 -2.779) 3.623 9.828 ( -0.617 0.008 0.536) 0.817 9.929 ( -0.399 -2.937 -2.997) 4.215 10.469 ( -5.734 2.761 2.122) 6.708 10.521 ( 0.676 3.839 -3.329) 5.126 10.972 ( 0.551 -2.537 -1.925) 3.232 11.056 ( 9.407 -6.264 -7.341) 13.477 12.190 ( -3.479 8.789 11.672) 15.020 12.416 ( -2.304 2.568 7.028) 7.829 12.910 ( 2.532 8.073 2.623) 8.858 13.356 ( -0.790 -4.771 -6.265) 7.914 ======================= Grid point 104 (54/88) ======================= q-point: ( 0.17 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 4.581 11.801 12.684) 17.920 1.212 ( 0.454 15.949 8.637) 18.143 1.743 ( -4.307 5.370 0.422) 6.897 1.799 ( 4.908 9.804 -6.484) 12.738 2.034 ( -0.278 -6.765 1.537) 6.943 2.164 ( -3.587 -4.610 9.487) 11.141 2.202 ( -2.179 -3.788 -5.772) 7.240 2.404 ( 3.152 -4.509 -3.850) 6.715 2.467 ( 2.487 -2.436 -0.308) 3.495 2.488 ( -0.927 -5.006 -6.305) 8.104 2.523 ( 1.230 16.036 13.643) 21.090 2.682 ( -3.742 -3.550 -3.745) 6.374 2.874 ( 7.427 -4.996 2.716) 9.353 2.903 ( -2.015 -0.835 2.225) 3.115 3.041 ( -3.865 0.310 -0.506) 3.911 3.073 ( 0.883 -4.534 3.752) 5.951 3.197 ( 0.292 -0.778 0.035) 0.832 3.316 ( 1.212 4.556 -3.727) 6.010 3.357 ( 2.642 0.662 -1.435) 3.079 3.420 ( -0.115 -0.479 4.286) 4.315 3.454 ( 0.844 -0.564 -2.849) 3.024 3.569 ( -0.178 -2.785 0.358) 2.814 3.748 ( -1.047 3.389 0.799) 3.636 3.857 ( -2.358 -4.991 1.252) 5.661 3.889 ( -1.038 -0.797 0.801) 1.534 3.951 ( 1.287 -0.905 -1.958) 2.512 4.042 ( 0.152 -0.053 0.180) 0.242 4.149 ( 0.055 -1.933 -0.887) 2.128 4.189 ( -7.015 5.866 3.808) 9.905 4.283 ( -2.794 -0.080 2.922) 4.044 4.346 ( 3.259 -0.462 -1.146) 3.486 4.439 ( -5.201 0.822 -2.235) 5.720 4.494 ( 2.180 3.008 0.177) 3.719 4.650 ( -0.330 3.193 1.817) 3.688 4.674 ( -0.025 0.277 2.532) 2.548 4.723 ( 3.066 -0.398 2.480) 3.964 4.830 ( 2.307 -0.500 -0.588) 2.432 4.853 ( 1.251 -1.269 -1.579) 2.381 4.886 ( 2.504 0.242 -5.048) 5.640 4.948 ( -2.432 -2.849 -1.543) 4.051 5.114 ( 4.483 2.499 -0.720) 5.182 5.174 ( -0.289 4.605 -6.473) 7.950 5.319 ( -4.606 -0.751 6.513) 8.012 5.419 ( 0.293 -3.483 2.689) 4.410 5.499 ( 0.539 -0.602 4.110) 4.189 5.716 ( -0.375 0.051 -4.492) 4.508 5.802 ( -2.243 -0.378 -5.882) 6.306 5.951 ( 2.486 -4.429 -7.163) 8.781 9.602 ( 0.320 0.478 -1.051) 1.198 9.753 ( 1.667 -2.536 -3.398) 4.556 9.823 ( -0.017 0.163 0.229) 0.282 9.899 ( -1.737 -0.485 -1.017) 2.071 10.386 ( -3.006 4.311 1.392) 5.437 10.515 ( -0.487 1.740 -1.909) 2.629 10.952 ( -0.248 0.995 -3.849) 3.983 11.250 ( 10.855 -10.693 -6.934) 16.741 12.144 ( -4.994 7.626 10.613) 13.990 12.372 ( -4.453 3.374 8.404) 10.092 12.964 ( 1.625 6.770 2.526) 7.406 13.341 ( 1.608 -4.106 -6.422) 7.790 ======================= Grid point 105 (55/88) ======================= q-point: ( 0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 2.685 11.971 9.898) 15.764 1.362 ( 5.948 8.137 7.353) 12.476 1.621 ( -6.233 8.153 1.588) 10.385 1.842 ( -0.394 4.289 -2.247) 4.858 2.019 ( -1.839 -5.312 4.851) 7.425 2.103 ( -3.233 -0.045 2.330) 3.985 2.207 ( 3.205 -2.082 -2.193) 4.406 2.363 ( -5.980 -0.423 -10.669) 12.238 2.406 ( -1.092 -3.077 -5.046) 6.010 2.532 ( -0.160 -3.383 0.004) 3.386 2.559 ( -2.683 -6.195 -2.718) 7.277 2.679 ( 5.629 7.977 8.029) 12.640 2.914 ( 3.720 -2.004 -0.325) 4.238 2.932 ( -0.042 0.309 0.230) 0.387 3.078 ( 2.121 0.593 5.385) 5.818 3.143 ( 6.258 -1.533 2.669) 6.974 3.230 ( 2.572 -3.407 1.126) 4.415 3.298 ( -1.358 3.225 1.293) 3.731 3.394 ( 0.463 2.987 -0.543) 3.071 3.409 ( 0.660 -1.492 4.107) 4.419 3.513 ( 2.551 1.484 -2.788) 4.059 3.570 ( 0.367 -0.403 2.112) 2.182 3.741 ( 0.128 1.364 3.605) 3.856 3.792 ( -4.746 -4.918 -0.195) 6.837 3.851 ( -2.898 1.890 -0.296) 3.473 3.941 ( -2.879 1.747 -1.889) 3.861 4.033 ( 0.805 -2.857 2.484) 3.871 4.118 ( -1.858 2.923 2.139) 4.071 4.164 ( 0.131 -3.573 0.396) 3.597 4.215 ( -2.657 1.829 3.683) 4.896 4.315 ( -4.939 -2.240 2.351) 5.911 4.404 ( 0.970 3.957 -4.910) 6.380 4.547 ( 2.040 2.843 -0.948) 3.625 4.643 ( -1.941 -1.040 -0.329) 2.227 4.688 ( 2.712 -0.053 0.488) 2.756 4.762 ( -0.556 -1.834 -0.371) 1.952 4.821 ( -1.436 -4.533 0.015) 4.755 4.836 ( -3.031 -0.262 -1.552) 3.415 4.906 ( 3.647 2.111 -3.450) 5.446 4.965 ( 2.045 -2.445 0.431) 3.216 5.148 ( -0.883 2.589 -1.935) 3.351 5.210 ( 5.375 2.854 -3.805) 7.177 5.263 ( -2.599 2.521 4.129) 5.492 5.414 ( -1.426 -2.077 2.799) 3.765 5.543 ( 2.542 -1.696 1.931) 3.614 5.682 ( -1.469 -0.493 -3.512) 3.839 5.772 ( 1.297 0.772 -6.285) 6.464 5.964 ( 1.294 -3.582 -6.628) 7.644 9.604 ( 0.185 0.129 -0.920) 0.947 9.775 ( 1.600 -2.318 -3.905) 4.815 9.829 ( 0.612 -0.144 -0.318) 0.704 9.870 ( -0.896 0.414 0.033) 0.987 10.366 ( 0.339 3.631 1.069) 3.800 10.495 ( -0.829 0.679 -1.379) 1.746 10.932 ( -0.954 2.257 -2.682) 3.632 11.381 ( 5.374 -13.246 -10.868) 17.957 12.093 ( -3.630 7.394 11.381) 14.049 12.325 ( -3.443 3.983 9.992) 11.294 12.978 ( -1.158 7.317 3.380) 8.142 13.368 ( 3.319 -3.541 -7.052) 8.561 ======================= Grid point 106 (56/88) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -10.030 5.043 5.947) 12.704 1.354 ( 4.281 9.064 8.558) 13.181 1.661 ( 6.134 10.931 0.326) 12.539 1.809 ( -1.042 2.268 5.611) 6.141 1.951 ( -6.014 3.843 7.902) 10.648 2.125 ( 0.846 -2.051 -2.574) 3.398 2.171 ( -2.518 0.244 -8.119) 8.504 2.312 ( -1.443 -8.387 -6.660) 10.806 2.344 ( 0.733 -3.017 -4.080) 5.127 2.438 ( -1.204 -2.370 -3.620) 4.491 2.584 ( 0.590 -5.113 -0.752) 5.202 2.758 ( 0.411 2.006 3.615) 4.155 2.922 ( 0.242 1.063 6.457) 6.549 3.054 ( 5.546 3.152 -4.407) 7.753 3.081 ( -3.240 0.317 5.092) 6.043 3.219 ( 3.095 0.177 -3.815) 4.915 3.260 ( -0.444 -1.099 3.710) 3.894 3.335 ( -0.467 -0.752 2.561) 2.710 3.373 ( 1.233 1.766 0.289) 2.173 3.450 ( -0.585 2.642 6.773) 7.294 3.521 ( -5.269 1.277 1.453) 5.613 3.564 ( 2.913 1.660 5.455) 6.404 3.729 ( -0.747 3.190 -0.091) 3.278 3.760 ( 0.631 -1.572 -0.814) 1.880 3.830 ( 2.316 -0.131 1.499) 2.762 3.925 ( 2.024 -3.810 -2.152) 4.821 4.045 ( -1.213 0.321 3.235) 3.470 4.093 ( -0.743 0.333 -2.706) 2.826 4.176 ( 1.538 -4.717 1.026) 5.066 4.220 ( 0.024 -0.030 1.789) 1.789 4.251 ( -0.999 -1.079 4.780) 5.001 4.395 ( -0.034 4.766 -2.873) 5.565 4.535 ( -3.049 0.206 -1.122) 3.256 4.612 ( -0.854 -1.811 -0.292) 2.023 4.694 ( -2.910 1.003 -1.296) 3.340 4.740 ( -0.045 -0.622 -4.693) 4.734 4.785 ( -2.267 -1.723 2.994) 4.132 4.813 ( 0.980 -3.856 1.808) 4.370 4.954 ( 0.417 1.237 -4.516) 4.701 4.987 ( 1.117 -1.214 1.356) 2.136 5.142 ( 0.356 3.552 1.291) 3.796 5.216 ( -0.478 4.692 -3.311) 5.762 5.310 ( 3.964 1.901 -0.978) 4.504 5.399 ( -0.919 -1.399 2.457) 2.973 5.581 ( -0.038 -3.752 2.083) 4.292 5.660 ( 1.143 -0.678 -4.601) 4.789 5.795 ( 3.217 0.327 -6.336) 7.113 5.957 ( 0.299 -3.388 -6.300) 7.159 9.603 ( 0.023 -0.033 -0.742) 0.743 9.776 ( -0.194 -0.674 -2.598) 2.691 9.842 ( 0.922 -1.486 -0.985) 2.007 9.872 ( 1.338 -1.017 -1.431) 2.207 10.402 ( 2.941 2.652 1.702) 4.310 10.481 ( 0.067 1.261 -2.187) 2.526 10.897 ( -2.064 1.283 -0.490) 2.479 11.368 ( -1.892 -13.418 -14.436) 19.799 12.099 ( -0.229 7.804 13.221) 15.354 12.316 ( -1.085 4.270 10.023) 10.949 12.950 ( -2.841 8.598 3.849) 9.839 13.405 ( 2.796 -3.556 -7.244) 8.540 ======================= Grid point 107 (57/88) ======================= q-point: (-0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -9.463 9.044 7.924) 15.301 1.418 ( -3.053 9.466 10.974) 14.811 1.685 ( -1.077 10.174 -1.893) 10.404 1.880 ( -2.876 5.626 2.660) 6.855 1.909 ( 6.739 1.293 3.779) 7.834 2.092 ( 2.647 0.940 -0.882) 2.944 2.170 ( -1.770 -4.085 -7.164) 8.435 2.206 ( -1.516 -8.909 -0.090) 9.037 2.396 ( 1.274 -2.619 -3.018) 4.194 2.472 ( 4.712 -2.081 -5.032) 7.201 2.580 ( -0.235 -5.883 0.905) 5.957 2.771 ( 0.559 -0.021 4.781) 4.813 2.889 ( -8.908 12.857 11.708) 19.538 3.021 ( -3.457 -1.587 3.023) 4.859 3.084 ( 0.277 -0.924 -2.037) 2.253 3.184 ( -0.640 -3.800 -7.154) 8.126 3.286 ( -0.002 3.997 -1.646) 4.323 3.316 ( -1.124 -3.156 1.188) 3.554 3.352 ( -5.093 -5.192 2.066) 7.560 3.419 ( -0.256 4.038 -0.104) 4.048 3.540 ( 1.832 5.942 5.373) 8.218 3.602 ( -0.473 -2.876 4.027) 4.971 3.749 ( 3.759 2.793 -0.878) 4.765 3.808 ( 1.838 -1.089 -3.390) 4.007 3.889 ( 3.279 0.392 5.046) 6.031 3.935 ( -1.861 -1.610 1.140) 2.712 4.016 ( -1.587 -0.566 -5.505) 5.757 4.116 ( 6.314 -1.289 -0.623) 6.474 4.191 ( -1.236 -2.684 3.318) 4.443 4.263 ( -0.870 -2.645 2.263) 3.588 4.292 ( 6.571 0.827 2.892) 7.227 4.425 ( 4.325 4.417 0.570) 6.208 4.441 ( -5.328 -0.540 -1.364) 5.527 4.608 ( 0.155 -0.667 -0.447) 0.817 4.631 ( -3.157 -1.177 -0.397) 3.392 4.720 ( -0.304 1.886 -3.220) 3.744 4.761 ( -1.142 0.767 2.041) 2.461 4.831 ( -1.235 -3.077 2.481) 4.141 4.895 ( -3.205 0.509 -0.040) 3.245 5.030 ( 2.256 -1.178 -2.111) 3.306 5.127 ( -2.228 6.157 -1.193) 6.655 5.218 ( 1.737 5.624 -5.136) 7.812 5.364 ( 1.451 -0.598 1.307) 2.042 5.399 ( 0.433 -1.129 1.853) 2.212 5.557 ( -3.074 -4.465 4.343) 6.946 5.685 ( 2.710 -0.719 -5.831) 6.470 5.846 ( 4.194 -1.949 -6.891) 8.300 5.937 ( 0.045 -3.921 -6.260) 7.387 9.600 ( -0.039 0.077 -0.672) 0.678 9.760 ( -0.575 -0.678 -1.950) 2.143 9.848 ( -0.108 -0.724 -0.392) 0.830 9.902 ( 2.396 -3.584 -3.425) 5.506 10.478 ( 2.157 1.020 -0.216) 2.395 10.491 ( 3.723 2.882 -0.502) 4.735 10.856 ( -1.995 -0.560 0.978) 2.291 11.239 ( -5.763 -10.228 -14.322) 18.519 12.152 ( 0.478 8.085 13.395) 15.654 12.349 ( 1.060 4.013 8.865) 9.789 12.905 ( -2.972 9.600 3.860) 10.765 13.418 ( 1.075 -4.126 -7.172) 8.343 ======================= Grid point 108 (58/88) ======================= q-point: (-0.17 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -4.173 12.625 10.580) 16.993 1.336 ( -7.893 13.227 12.255) 19.684 1.663 ( 0.527 10.030 -3.909) 10.778 1.841 ( -1.750 6.378 1.238) 6.728 2.026 ( 1.572 -6.072 1.073) 6.364 2.131 ( 3.863 -0.375 -5.306) 6.574 2.210 ( 6.606 -4.031 1.262) 7.841 2.229 ( 3.384 -5.342 0.648) 6.357 2.363 ( -2.844 0.281 0.143) 2.862 2.540 ( 1.688 -0.410 1.587) 2.353 2.565 ( -1.272 -2.668 -0.303) 2.971 2.724 ( -9.427 8.963 9.773) 16.270 2.836 ( 4.030 -3.607 4.406) 6.976 2.961 ( -4.542 -0.908 1.186) 4.781 3.068 ( -1.226 -2.281 -0.693) 2.680 3.178 ( 0.013 -6.783 -5.626) 8.813 3.233 ( -1.674 -1.757 -0.075) 2.428 3.297 ( -0.749 2.567 -3.365) 4.298 3.314 ( -0.166 0.228 -0.928) 0.970 3.403 ( -1.105 2.111 1.563) 2.850 3.565 ( -0.697 2.683 4.437) 5.232 3.581 ( -2.570 -2.403 -0.353) 3.536 3.777 ( -0.851 -2.035 -4.261) 4.798 3.827 ( 2.442 2.647 -0.814) 3.692 3.897 ( -0.570 -0.006 -1.885) 1.969 3.945 ( 0.309 -0.568 3.639) 3.696 4.035 ( 2.716 -0.542 -0.520) 2.818 4.179 ( -0.084 -4.182 1.838) 4.569 4.206 ( 1.304 0.515 0.713) 1.573 4.259 ( 0.881 -0.015 -3.721) 3.824 4.366 ( -1.272 -1.273 1.383) 2.270 4.421 ( 4.256 4.867 4.873) 8.096 4.534 ( 4.482 3.823 3.677) 6.944 4.589 ( 0.613 -0.953 -0.300) 1.172 4.607 ( 0.005 -2.190 -0.734) 2.310 4.701 ( -1.723 2.237 0.252) 2.835 4.755 ( -0.669 0.643 0.852) 1.259 4.795 ( -0.532 1.078 0.587) 1.338 4.859 ( -1.410 -3.143 -0.717) 3.519 5.037 ( -0.900 4.796 -0.332) 4.891 5.081 ( -1.007 2.051 -4.573) 5.112 5.223 ( 0.617 6.523 -6.140) 8.979 5.374 ( -0.727 -2.874 4.507) 5.394 5.423 ( 0.365 0.380 2.201) 2.263 5.508 ( -3.261 -6.690 5.335) 9.157 5.714 ( 2.243 0.141 -5.407) 5.855 5.889 ( 2.433 -3.384 -7.652) 8.714 5.921 ( 0.573 -4.941 -6.598) 8.263 9.598 ( 0.109 0.415 -0.751) 0.865 9.745 ( -0.180 -1.556 -2.277) 2.764 9.839 ( -0.674 -0.209 0.306) 0.769 9.929 ( 1.563 -4.303 -3.976) 6.063 10.497 ( 1.603 3.306 -3.798) 5.284 10.554 ( -0.784 0.633 3.103) 3.263 10.864 ( 4.390 -2.340 -0.230) 4.980 11.089 ( -4.648 -5.607 -10.905) 13.114 12.192 ( -1.120 8.850 12.688) 15.509 12.402 ( 1.013 2.882 7.494) 8.093 12.879 ( -0.691 9.657 3.477) 10.287 13.397 ( -0.721 -4.770 -6.829) 8.361 ======================= Grid point 109 (59/88) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 1.668 17.335 4.854) 18.079 1.538 ( -3.520 11.629 6.821) 13.934 1.714 ( 0.730 -10.267 2.254) 10.537 1.771 ( -0.536 -7.620 4.957) 9.106 2.031 ( 0.648 6.166 -3.244) 6.997 2.109 ( 0.303 -1.459 -3.104) 3.443 2.259 ( 3.332 2.058 -4.380) 5.876 2.278 ( 1.325 0.172 -4.562) 4.753 2.295 ( 2.108 -2.771 0.755) 3.563 2.452 ( 2.408 -9.634 -4.558) 10.926 2.598 ( 3.964 1.414 -2.785) 5.047 2.686 ( -2.123 -6.266 -2.767) 7.171 2.839 ( -6.045 10.387 9.940) 15.596 2.940 ( -1.359 -1.183 6.364) 6.615 3.085 ( -4.211 5.348 3.109) 7.483 3.113 ( -2.598 2.131 0.774) 3.448 3.178 ( 1.749 -0.050 1.908) 2.589 3.303 ( -0.534 -3.019 2.076) 3.702 3.348 ( 2.428 1.373 -3.402) 4.399 3.382 ( 1.153 -2.678 1.989) 3.529 3.492 ( -2.195 1.379 -2.871) 3.868 3.538 ( -1.264 -3.481 0.676) 3.765 3.771 ( -0.517 -0.276 3.371) 3.422 3.806 ( -3.106 -3.590 3.677) 6.005 3.882 ( -1.541 2.327 1.477) 3.158 3.930 ( -1.249 -1.972 0.977) 2.530 4.077 ( 0.105 2.647 -0.371) 2.675 4.144 ( 0.605 -3.932 0.204) 3.984 4.203 ( 1.939 3.386 -3.092) 4.979 4.281 ( 3.539 -2.881 -4.268) 6.248 4.402 ( -1.387 3.446 -0.467) 3.744 4.445 ( 0.226 -0.980 -1.544) 1.843 4.594 ( 0.440 -0.462 3.830) 3.883 4.624 ( 2.003 -2.655 4.992) 5.998 4.695 ( 3.346 2.881 0.185) 4.419 4.744 ( 2.131 -3.412 -0.691) 4.082 4.753 ( -3.872 7.223 1.816) 8.394 4.807 ( 1.709 0.822 -0.188) 1.905 4.835 ( 0.062 1.946 0.317) 1.973 4.947 ( -4.014 -6.986 -0.307) 8.063 5.159 ( -0.622 4.971 0.287) 5.018 5.238 ( -2.030 -2.192 -1.952) 3.569 5.349 ( -0.274 -1.094 3.646) 3.816 5.364 ( -2.257 -1.676 4.386) 5.209 5.548 ( 2.711 9.442 -2.523) 10.143 5.718 ( 2.172 -4.426 -6.943) 8.516 5.807 ( 0.482 -2.779 -6.372) 6.968 5.827 ( 0.579 -2.682 -7.769) 8.239 9.635 ( 0.480 2.696 -3.045) 4.096 9.691 ( 0.477 -2.783 -3.798) 4.733 9.835 ( 0.057 0.968 -0.384) 1.043 9.871 ( 0.659 -2.666 -1.695) 3.227 10.542 ( -2.633 3.841 -0.658) 4.703 10.577 ( -1.098 0.954 -3.660) 3.939 10.915 ( 4.326 -1.588 -1.678) 4.905 10.946 ( 4.444 -4.403 -5.616) 8.407 12.354 ( -3.725 6.910 12.534) 14.789 12.435 ( -2.950 -1.247 11.165) 11.616 13.072 ( 1.336 8.427 -1.940) 8.750 13.232 ( -0.050 -7.636 -4.443) 8.835 ======================= Grid point 110 (60/88) ======================= q-point: ( 0.17 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 3.966 14.428 5.860) 16.069 1.503 ( -1.940 12.580 5.261) 13.773 1.738 ( 0.501 -7.288 3.458) 8.082 1.787 ( -0.097 -10.764 5.040) 11.886 1.967 ( -5.258 3.707 -2.665) 6.964 2.086 ( -3.016 -6.090 -4.191) 7.984 2.256 ( 2.779 11.153 -3.080) 11.900 2.339 ( 3.887 -1.021 -5.058) 6.460 2.367 ( 4.929 -3.152 -3.413) 6.774 2.457 ( -0.478 -4.406 -5.901) 7.380 2.637 ( -2.445 -1.064 -4.930) 5.605 2.682 ( 3.685 -7.752 -1.151) 8.660 2.807 ( -0.613 8.738 8.689) 12.338 2.947 ( -0.800 -5.729 7.053) 9.122 3.023 ( -0.921 6.534 5.036) 8.301 3.064 ( -0.887 1.000 -0.072) 1.339 3.207 ( 0.882 3.875 1.887) 4.399 3.324 ( 0.004 -4.404 2.468) 5.049 3.391 ( 3.060 2.287 0.385) 3.840 3.433 ( 0.108 0.650 1.343) 1.496 3.466 ( 3.691 1.751 -3.063) 5.106 3.525 ( -0.634 -2.286 0.757) 2.491 3.754 ( -2.757 -2.658 2.615) 4.637 3.774 ( -1.248 -1.541 1.710) 2.619 3.878 ( 0.542 -0.463 4.355) 4.413 3.909 ( -1.257 -3.004 2.104) 3.877 4.041 ( -2.587 1.813 -1.092) 3.343 4.097 ( -2.612 -3.020 -1.491) 4.262 4.271 ( 2.305 1.567 0.787) 2.896 4.313 ( -3.163 -0.231 1.110) 3.360 4.360 ( 0.193 5.554 1.438) 5.741 4.454 ( 1.634 -0.762 -6.879) 7.112 4.582 ( -2.481 3.216 1.470) 4.320 4.642 ( -1.725 -3.261 6.291) 7.293 4.694 ( -3.201 3.852 3.512) 6.117 4.736 ( 1.328 1.729 -0.597) 2.260 4.783 ( 0.232 -3.036 -0.486) 3.083 4.851 ( 3.242 0.454 -1.390) 3.557 4.855 ( -1.702 -5.203 -1.828) 5.771 4.865 ( 0.820 -1.418 -0.402) 1.687 5.175 ( 1.951 2.435 0.458) 3.154 5.204 ( -0.200 -0.210 -1.922) 1.943 5.336 ( -1.501 0.683 2.966) 3.394 5.363 ( 0.100 -2.123 2.661) 3.406 5.583 ( 1.319 8.069 -2.290) 8.491 5.705 ( -0.951 -2.549 -6.755) 7.283 5.787 ( 0.653 0.089 -6.976) 7.007 5.844 ( 2.975 -5.494 -5.902) 8.594 9.633 ( 0.411 2.533 -2.949) 3.909 9.692 ( 1.007 -3.311 -3.881) 5.200 9.838 ( 0.438 1.373 -0.822) 1.659 9.873 ( 0.017 -1.921 -1.438) 2.399 10.480 ( -2.736 4.586 -0.985) 5.430 10.534 ( -2.029 -0.534 -2.732) 3.445 10.968 ( 3.068 1.848 -4.030) 5.391 11.060 ( 6.828 -7.770 -4.202) 11.165 12.303 ( -5.565 7.307 12.332) 15.376 12.394 ( -4.940 -1.666 11.757) 12.862 13.103 ( 2.163 7.169 -1.708) 7.681 13.237 ( 2.078 -6.326 -4.475) 8.023 ======================= Grid point 111 (61/88) ======================= q-point: ( 0.33 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.719 13.891 6.351) 15.291 1.544 ( 2.644 10.185 3.703) 11.155 1.743 ( -0.532 -1.202 1.600) 2.071 1.789 ( -1.247 -9.422 2.861) 9.926 1.880 ( -2.126 -1.423 2.517) 3.589 2.009 ( -2.328 -8.186 -1.946) 8.730 2.295 ( 0.559 7.832 -2.833) 8.348 2.366 ( -4.838 1.262 -9.602) 10.826 2.396 ( 2.549 -0.674 -5.392) 6.002 2.440 ( 2.515 -4.701 -4.136) 6.747 2.529 ( -5.595 5.448 -2.364) 8.160 2.698 ( 0.188 -7.606 0.329) 7.616 2.876 ( 3.229 1.441 5.668) 6.680 2.975 ( 1.842 -7.866 5.854) 9.976 3.070 ( 3.729 7.166 0.383) 8.087 3.122 ( 3.964 0.072 -0.538) 4.001 3.252 ( 2.850 3.927 4.018) 6.299 3.308 ( -0.005 -1.633 1.623) 2.302 3.384 ( -2.210 2.435 -1.832) 3.764 3.478 ( 3.019 -2.062 -2.873) 4.650 3.535 ( 4.925 3.997 4.280) 7.652 3.584 ( 4.908 -1.007 3.315) 6.008 3.703 ( -3.514 -0.317 0.881) 3.637 3.740 ( -2.588 -0.948 1.489) 3.133 3.872 ( -2.468 0.678 1.577) 3.006 3.943 ( 2.503 -5.833 7.169) 9.575 4.001 ( -1.579 2.116 0.240) 2.652 4.054 ( -1.871 -4.365 0.364) 4.763 4.219 ( -4.808 4.956 2.461) 7.330 4.261 ( -3.862 0.863 3.268) 5.132 4.343 ( -4.450 5.756 3.344) 8.008 4.452 ( -0.106 -1.551 -3.885) 4.184 4.570 ( 1.057 0.444 -2.389) 2.650 4.612 ( -3.507 -3.862 5.879) 7.860 4.649 ( -1.383 0.404 2.341) 2.749 4.718 ( -2.848 -4.672 1.918) 5.798 4.763 ( -0.008 1.842 -1.530) 2.394 4.813 ( -1.779 -1.754 -0.977) 2.683 4.922 ( 4.123 0.058 -3.185) 5.210 4.931 ( 4.637 -1.142 -3.047) 5.665 5.197 ( 0.877 2.810 -0.495) 2.985 5.239 ( 3.019 -0.595 -1.933) 3.634 5.327 ( 0.205 2.616 0.664) 2.706 5.371 ( -0.022 -2.173 1.398) 2.584 5.578 ( -0.621 4.510 -2.436) 5.164 5.655 ( -1.579 -2.600 -5.799) 6.548 5.798 ( 2.404 2.461 -6.248) 7.132 5.876 ( 2.097 -4.982 -5.537) 7.738 9.632 ( 0.527 2.683 -3.096) 4.130 9.701 ( 1.295 -4.114 -4.436) 6.187 9.844 ( 0.475 1.077 -1.015) 1.554 9.864 ( -0.352 -0.828 -0.944) 1.304 10.446 ( -0.521 3.876 -0.693) 3.972 10.495 ( -0.948 -1.042 -1.870) 2.341 10.991 ( 0.440 4.644 -4.138) 6.235 11.138 ( 2.768 -10.526 -6.170) 12.511 12.252 ( -3.802 7.514 13.238) 15.690 12.349 ( -3.761 -1.907 12.746) 13.426 13.130 ( 1.089 7.784 -1.632) 8.027 13.270 ( 2.737 -6.333 -4.923) 8.475 ======================= Grid point 112 (62/88) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -5.347 13.289 1.339) 14.387 1.571 ( 2.517 12.304 7.348) 14.550 1.749 ( -2.177 -8.795 0.510) 9.075 1.811 ( 5.150 -3.720 0.211) 6.356 1.893 ( 1.113 -0.474 6.847) 6.953 2.021 ( 3.674 -7.048 -0.421) 7.959 2.195 ( -7.622 1.125 -2.788) 8.194 2.207 ( -8.611 -0.822 -4.141) 9.590 2.424 ( 1.682 0.373 -6.316) 6.546 2.443 ( 2.839 3.938 -7.732) 9.130 2.496 ( -0.681 4.115 -0.110) 4.173 2.708 ( 0.508 -8.613 -1.249) 8.718 2.942 ( 2.087 2.358 6.433) 7.163 3.021 ( -0.229 -5.060 6.478) 8.223 3.106 ( 1.162 2.109 -5.252) 5.778 3.165 ( 0.464 -2.872 0.740) 3.002 3.271 ( -1.380 -0.080 0.304) 1.416 3.302 ( -0.849 -2.605 -1.472) 3.110 3.437 ( 5.477 9.044 -1.343) 10.658 3.561 ( 6.721 2.201 2.118) 7.383 3.598 ( -5.571 4.264 2.629) 7.492 3.636 ( -1.928 2.028 1.953) 3.412 3.667 ( 1.613 -2.454 1.520) 3.307 3.746 ( 5.779 -5.545 2.807) 8.487 3.837 ( -0.861 6.509 4.135) 7.759 3.945 ( -2.691 2.298 2.946) 4.605 4.014 ( -1.215 -6.144 2.579) 6.773 4.025 ( 0.375 -3.173 -0.232) 3.204 4.148 ( -4.127 1.939 5.343) 7.024 4.210 ( -2.627 -2.808 3.713) 5.345 4.288 ( -0.053 6.011 2.436) 6.486 4.409 ( -2.431 -4.532 1.722) 5.423 4.551 ( -1.871 2.078 0.751) 2.896 4.580 ( -1.151 -1.211 1.733) 2.407 4.673 ( 0.254 -1.070 0.906) 1.425 4.707 ( 1.100 -3.841 1.607) 4.307 4.746 ( 0.125 0.871 -3.193) 3.312 4.779 ( -1.308 -1.047 -1.095) 2.001 4.973 ( 1.302 0.986 -2.472) 2.963 4.984 ( 2.087 -0.037 -2.403) 3.183 5.215 ( 0.837 3.615 -0.019) 3.710 5.267 ( 0.896 -0.704 -2.256) 2.527 5.351 ( 2.009 1.836 -2.006) 3.381 5.375 ( 0.206 -0.998 0.147) 1.029 5.557 ( -0.841 2.020 -1.572) 2.694 5.622 ( 0.459 -3.258 -5.264) 6.208 5.820 ( 1.912 2.303 -6.294) 6.970 5.882 ( 0.611 -3.856 -5.563) 6.796 9.632 ( 0.610 2.939 -3.318) 4.474 9.709 ( 1.126 -4.548 -5.009) 6.859 9.845 ( -0.132 0.756 -0.479) 0.905 9.859 ( 0.093 -0.650 -0.924) 1.133 10.457 ( 1.798 2.625 -0.049) 3.182 10.491 ( 1.116 -0.575 -1.641) 2.066 10.958 ( -2.283 5.519 -3.657) 7.003 11.121 ( -1.719 -11.035 -7.911) 13.686 12.256 ( -0.767 7.110 14.119) 15.827 12.345 ( -1.292 -1.562 13.113) 13.269 13.130 ( -0.403 9.265 -1.839) 9.454 13.296 ( 1.608 -7.339 -5.227) 9.153 ======================= Grid point 113 (63/88) ======================= q-point: (-0.33 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -4.540 16.636 1.123) 17.281 1.623 ( -1.111 9.893 7.550) 12.494 1.716 ( -0.989 -9.856 -0.203) 9.908 1.849 ( -2.553 -8.594 5.330) 10.430 1.967 ( 3.759 8.014 -5.299) 10.317 2.082 ( -2.279 -1.438 4.251) 5.033 2.090 ( 0.594 -0.348 3.287) 3.358 2.115 ( 4.111 -4.659 -4.286) 7.549 2.419 ( -0.120 -0.904 -7.029) 7.088 2.445 ( -2.058 -4.692 -1.010) 5.222 2.501 ( 3.504 9.699 -5.077) 11.495 2.704 ( -0.229 -7.985 -0.605) 8.011 3.004 ( 0.329 0.211 4.160) 4.178 3.012 ( 0.197 -0.260 4.067) 4.080 3.106 ( -0.039 0.981 -2.470) 2.657 3.124 ( -4.829 -0.787 0.054) 4.893 3.263 ( -0.419 -0.823 0.409) 1.010 3.282 ( 0.129 -2.583 -1.259) 2.876 3.404 ( -8.048 8.397 4.785) 12.576 3.520 ( -4.857 0.366 2.232) 5.357 3.558 ( -1.758 2.923 -1.850) 3.880 3.675 ( -1.831 1.002 2.570) 3.311 3.719 ( 5.787 1.451 -1.344) 6.116 3.826 ( 2.026 -2.028 1.140) 3.085 3.898 ( 1.998 1.964 7.053) 7.589 3.923 ( -1.292 0.158 2.116) 2.484 3.992 ( -0.507 -0.670 -0.806) 1.165 4.042 ( 4.072 -4.652 -1.383) 6.335 4.139 ( 0.323 -1.829 2.582) 3.180 4.173 ( 0.143 -5.039 3.479) 6.125 4.348 ( 3.789 4.868 1.956) 6.471 4.431 ( 2.897 -2.480 3.423) 5.124 4.525 ( -0.674 4.539 0.591) 4.627 4.573 ( -0.406 -1.624 2.010) 2.616 4.625 ( -3.479 1.968 0.511) 4.030 4.720 ( -1.547 -5.636 0.886) 5.911 4.764 ( 2.712 1.217 -0.935) 3.117 4.784 ( 1.260 -0.075 -0.297) 1.297 4.946 ( -3.122 3.578 -0.433) 4.768 5.002 ( 0.728 -1.869 -2.418) 3.142 5.216 ( -0.929 3.392 0.421) 3.542 5.273 ( 0.789 -1.275 -2.869) 3.237 5.364 ( -0.442 0.718 -0.434) 0.948 5.386 ( 1.169 -0.991 -0.527) 1.621 5.531 ( -1.426 3.922 -0.242) 4.181 5.640 ( 3.125 -4.720 -6.293) 8.465 5.828 ( 1.348 0.573 -7.077) 7.227 5.866 ( -0.143 -3.026 -5.882) 6.616 9.633 ( 0.686 3.119 -3.411) 4.673 9.708 ( 0.577 -4.049 -4.937) 6.411 9.841 ( -0.107 0.317 -0.103) 0.350 9.858 ( 0.195 -1.328 -1.097) 1.734 10.505 ( 2.868 1.770 0.039) 3.370 10.528 ( 3.415 0.128 -1.936) 3.928 10.893 ( -2.921 4.839 -2.676) 6.254 11.039 ( -3.547 -9.489 -8.003) 12.910 12.304 ( 0.446 6.495 13.963) 15.407 12.381 ( 0.217 -1.057 12.555) 12.601 13.105 ( -1.389 10.330 -2.043) 10.621 13.293 ( -0.108 -8.415 -5.222) 9.905 ======================= Grid point 114 (64/88) ======================= q-point: (-0.17 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -1.397 18.220 2.800) 18.487 1.588 ( -4.152 9.894 7.261) 12.955 1.704 ( -0.225 -11.117 0.375) 11.126 1.792 ( -3.402 -5.427 3.611) 7.353 1.999 ( 2.186 6.069 -1.174) 6.557 2.104 ( 1.929 -3.120 -0.428) 3.693 2.175 ( 4.733 0.798 -2.459) 5.393 2.191 ( 5.435 -0.791 1.088) 5.599 2.357 ( -3.461 -1.038 -4.245) 5.575 2.427 ( 0.726 -7.804 -2.312) 8.171 2.552 ( 3.036 6.005 -4.320) 7.996 2.709 ( 0.521 -8.245 -0.377) 8.270 2.959 ( -5.888 3.249 2.116) 7.050 2.978 ( -6.049 2.047 4.134) 7.607 3.092 ( 2.143 0.004 0.387) 2.178 3.111 ( 0.750 5.293 6.370) 8.316 3.196 ( -4.826 2.683 2.302) 5.982 3.320 ( 2.426 -0.561 -2.855) 3.788 3.324 ( -1.128 0.568 -2.050) 2.408 3.414 ( -5.869 -6.603 5.641) 10.482 3.521 ( -1.364 3.554 -2.056) 4.326 3.610 ( -4.698 -2.944 -1.090) 5.650 3.767 ( 0.153 3.225 2.427) 4.039 3.841 ( -1.338 -3.047 3.127) 4.567 3.907 ( -1.233 1.772 0.849) 2.320 3.939 ( 0.044 -0.741 2.901) 2.995 4.027 ( 4.166 0.840 -0.236) 4.256 4.082 ( 2.454 -4.305 -0.100) 4.956 4.205 ( 2.198 0.270 -0.948) 2.409 4.227 ( 4.257 -1.988 -2.083) 5.140 4.396 ( 1.578 2.818 -2.941) 4.367 4.466 ( -1.192 -3.977 1.282) 4.345 4.550 ( 2.736 2.632 2.751) 4.688 4.571 ( 0.264 0.034 4.254) 4.263 4.622 ( 2.654 3.256 2.907) 5.108 4.712 ( 1.082 -4.395 -0.163) 4.529 4.788 ( -0.538 2.076 0.121) 2.148 4.803 ( 0.577 0.258 1.594) 1.714 4.870 ( -4.087 5.719 -0.358) 7.038 4.996 ( -0.941 -5.349 -1.327) 5.591 5.187 ( -1.896 4.844 -0.174) 5.205 5.271 ( -0.326 -2.495 -2.678) 3.675 5.349 ( -1.107 0.564 2.580) 2.864 5.392 ( -1.429 -3.820 3.089) 5.116 5.517 ( 0.812 8.778 -1.799) 8.998 5.683 ( 3.528 -5.669 -6.885) 9.591 5.821 ( 0.469 -1.231 -6.987) 7.110 5.846 ( 0.432 -2.610 -7.219) 7.688 9.635 ( 0.684 3.035 -3.290) 4.528 9.699 ( 0.199 -3.088 -4.270) 5.273 9.838 ( -0.227 0.313 -0.069) 0.392 9.862 ( 0.748 -2.341 -1.515) 2.887 10.551 ( 1.792 2.720 -1.199) 3.471 10.585 ( 2.104 0.238 -2.049) 2.946 10.854 ( 0.613 2.402 -1.856) 3.097 10.956 ( -1.970 -7.006 -6.735) 9.916 12.351 ( -0.713 6.476 13.260) 14.774 12.425 ( -0.245 -0.992 11.614) 11.659 13.074 ( -0.797 10.096 -2.075) 10.338 13.262 ( -1.079 -8.686 -4.881) 10.022 ======================= Grid point 133 (65/88) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -9.298 0.000 10.812) 14.260 1.154 ( 1.608 0.000 5.110) 5.357 1.473 ( -1.324 0.000 0.189) 1.338 1.481 ( 4.083 0.000 -1.854) 4.484 2.220 ( -0.652 0.000 -2.588) 2.669 2.231 ( 6.268 0.000 2.144) 6.624 2.371 ( -4.220 0.000 7.866) 8.927 2.417 ( -0.082 0.000 16.518) 16.518 2.496 ( 4.764 0.000 -6.499) 8.058 2.655 ( -7.485 0.000 2.014) 7.751 2.659 ( 5.098 0.000 0.010) 5.098 2.764 ( 0.616 0.000 -8.482) 8.505 2.856 ( 0.836 0.000 3.347) 3.449 2.870 ( 3.274 0.000 4.500) 5.565 3.000 ( -2.742 0.000 -6.377) 6.942 3.019 ( -6.307 0.000 -4.700) 7.866 3.293 ( -3.421 0.000 1.204) 3.627 3.365 ( 4.558 0.000 -4.497) 6.403 3.448 ( -6.412 0.000 0.863) 6.470 3.479 ( 3.995 0.000 1.810) 4.386 3.482 ( 4.324 0.000 -2.871) 5.190 3.491 ( -1.147 0.000 1.162) 1.633 3.645 ( -3.564 0.000 3.084) 4.713 3.715 ( 5.464 0.000 -6.674) 8.626 3.933 ( -4.275 0.000 1.094) 4.413 3.972 ( 2.693 0.000 -0.662) 2.773 4.070 ( -3.610 0.000 -0.908) 3.723 4.090 ( 4.629 0.000 -3.576) 5.849 4.277 ( 3.569 0.000 1.043) 3.718 4.279 ( -5.535 0.000 0.697) 5.579 4.384 ( 0.434 0.000 4.133) 4.156 4.437 ( 1.814 0.000 0.424) 1.863 4.460 ( -1.576 0.000 1.728) 2.339 4.514 ( -0.497 0.000 -5.520) 5.542 4.598 ( -5.234 0.000 6.552) 8.386 4.635 ( 4.034 0.000 1.747) 4.396 4.655 ( -1.434 0.000 -0.920) 1.704 4.731 ( 4.409 0.000 -6.157) 7.573 4.879 ( 0.511 0.000 3.334) 3.373 4.930 ( -0.591 0.000 -2.300) 2.375 5.053 ( -1.692 0.000 -0.859) 1.897 5.063 ( 2.553 0.000 -1.528) 2.976 5.525 ( -0.810 0.000 4.058) 4.138 5.605 ( 1.235 0.000 -3.996) 4.183 5.640 ( 0.297 0.000 7.803) 7.808 5.769 ( 0.205 0.000 -1.513) 1.527 5.844 ( -5.351 0.000 -1.537) 5.567 5.854 ( 2.232 0.000 -5.892) 6.301 9.714 ( -0.744 0.000 4.209) 4.274 9.791 ( 0.529 0.000 -3.323) 3.365 9.835 ( -0.313 0.000 3.157) 3.172 9.904 ( -1.057 0.000 -4.010) 4.147 10.433 ( 5.174 0.000 1.318) 5.339 10.471 ( -9.460 0.000 -2.067) 9.683 11.000 ( -6.708 0.000 5.432) 8.631 11.103 ( 12.154 0.000 -5.167) 13.206 12.124 ( 0.597 0.000 4.989) 5.025 12.229 ( -1.180 0.000 -5.408) 5.535 12.976 ( 0.395 0.000 13.883) 13.888 13.230 ( 0.416 0.000 -11.536) 11.544 ======================= Grid point 134 (66/88) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.909 0.000 10.493) 10.533 1.221 ( 3.088 0.000 7.643) 8.243 1.436 ( -2.842 0.000 2.628) 3.871 1.622 ( 11.029 0.000 -3.390) 11.538 2.131 ( -5.835 0.000 -7.823) 9.760 2.202 ( -4.524 0.000 -4.979) 6.727 2.435 ( -2.975 0.000 19.043) 19.274 2.496 ( 0.104 0.000 7.187) 7.187 2.505 ( -7.260 0.000 -6.988) 10.077 2.570 ( 6.453 0.000 3.330) 7.261 2.698 ( -0.368 0.000 -4.902) 4.916 2.737 ( 3.771 0.000 -3.892) 5.419 2.839 ( -4.971 0.000 -5.269) 7.244 2.865 ( -1.495 0.000 5.447) 5.649 3.011 ( 4.160 0.000 1.143) 4.314 3.037 ( 8.151 0.000 1.212) 8.241 3.207 ( -3.511 0.000 -0.250) 3.520 3.358 ( -3.467 0.000 -2.383) 4.206 3.388 ( 0.274 0.000 1.572) 1.596 3.509 ( 1.244 0.000 -0.713) 1.434 3.522 ( -0.802 0.000 6.427) 6.477 3.619 ( 9.238 0.000 -3.644) 9.931 3.652 ( 1.627 0.000 2.426) 2.921 3.773 ( 1.645 0.000 -7.179) 7.365 3.861 ( -4.196 0.000 2.736) 5.009 3.997 ( -0.903 0.000 -4.955) 5.037 4.011 ( 0.887 0.000 -1.113) 1.423 4.118 ( -0.934 0.000 -1.267) 1.574 4.210 ( 0.173 0.000 -0.804) 0.823 4.261 ( -3.116 0.000 4.977) 5.871 4.349 ( -7.965 0.000 3.360) 8.645 4.470 ( -1.035 0.000 -0.858) 1.344 4.487 ( 2.472 0.000 -4.051) 4.746 4.498 ( 4.335 0.000 2.471) 4.990 4.571 ( -5.635 0.000 -1.788) 5.911 4.618 ( 3.163 0.000 1.542) 3.519 4.685 ( 2.345 0.000 -0.642) 2.431 4.820 ( 5.997 0.000 -3.614) 7.001 4.908 ( -0.030 0.000 -0.836) 0.837 4.917 ( 1.809 0.000 0.743) 1.956 5.020 ( -1.520 0.000 -0.641) 1.650 5.107 ( 2.004 0.000 -2.197) 2.973 5.517 ( -1.697 0.000 4.791) 5.082 5.611 ( 0.944 0.000 -4.550) 4.647 5.670 ( 0.264 0.000 6.164) 6.169 5.719 ( -6.981 0.000 3.097) 7.637 5.745 ( -1.640 0.000 -2.991) 3.411 5.874 ( 1.154 0.000 -3.046) 3.257 9.720 ( -0.236 0.000 4.537) 4.543 9.800 ( 1.638 0.000 -3.552) 3.911 9.830 ( -1.369 0.000 3.505) 3.763 9.861 ( -2.067 0.000 -1.433) 2.515 10.344 ( -3.579 0.000 0.371) 3.598 10.519 ( 1.283 0.000 4.264) 4.452 10.916 ( -2.132 0.000 2.362) 3.182 11.290 ( 9.552 0.000 -10.468) 14.171 12.145 ( -0.406 0.000 4.872) 4.889 12.165 ( -3.285 0.000 -3.568) 4.850 13.031 ( 0.206 0.000 12.147) 12.149 13.210 ( 1.879 0.000 -11.874) 12.022 ======================= Grid point 135 (67/88) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 9.526 0.000 6.759) 11.681 1.314 ( 4.067 0.000 4.112) 5.784 1.400 ( -2.595 0.000 8.870) 9.242 1.843 ( 12.294 0.000 -1.995) 12.455 1.966 ( -7.752 0.000 -11.334) 13.731 2.111 ( -3.366 0.000 -3.179) 4.630 2.252 ( -13.709 0.000 -1.501) 13.791 2.292 ( -9.342 0.000 3.968) 10.150 2.613 ( 4.187 0.000 4.049) 5.824 2.651 ( -2.535 0.000 -2.234) 3.379 2.710 ( -2.166 0.000 5.081) 5.523 2.783 ( 7.857 0.000 2.054) 8.121 2.790 ( -3.741 0.000 1.081) 3.894 2.886 ( 6.570 0.000 -1.637) 6.771 3.107 ( 4.402 0.000 0.703) 4.458 3.178 ( 2.652 0.000 4.895) 5.568 3.254 ( 10.310 0.000 -6.304) 12.085 3.257 ( -5.263 0.000 0.678) 5.306 3.460 ( 6.304 0.000 1.912) 6.587 3.514 ( -0.754 0.000 2.517) 2.627 3.524 ( -4.587 0.000 9.879) 10.892 3.622 ( -2.292 0.000 3.447) 4.140 3.709 ( -5.368 0.000 -5.904) 7.979 3.754 ( 1.986 0.000 3.659) 4.163 3.813 ( 1.176 0.000 -4.961) 5.099 3.994 ( -0.799 0.000 -4.996) 5.059 4.000 ( 0.964 0.000 -5.733) 5.814 4.089 ( -1.505 0.000 -1.714) 2.281 4.216 ( -3.400 0.000 3.139) 4.627 4.249 ( 2.914 0.000 -2.562) 3.881 4.271 ( 0.278 0.000 5.995) 6.001 4.422 ( -1.721 0.000 -3.934) 4.294 4.457 ( -5.513 0.000 0.798) 5.570 4.498 ( -3.644 0.000 -0.834) 3.738 4.560 ( 4.533 0.000 -1.311) 4.719 4.633 ( 0.693 0.000 -0.302) 0.756 4.817 ( 9.071 0.000 -2.291) 9.356 4.888 ( 1.207 0.000 -0.627) 1.360 4.906 ( -0.827 0.000 -0.208) 0.853 4.964 ( 2.554 0.000 -0.811) 2.680 4.989 ( -0.513 0.000 -1.407) 1.498 5.109 ( -1.269 0.000 -2.029) 2.393 5.498 ( -2.008 0.000 7.476) 7.741 5.600 ( -5.531 0.000 5.365) 7.705 5.616 ( 1.427 0.000 -4.755) 4.965 5.694 ( -2.596 0.000 -2.815) 3.830 5.724 ( 2.531 0.000 3.824) 4.586 5.874 ( 0.264 0.000 -4.190) 4.198 9.732 ( -0.280 0.000 4.989) 4.997 9.811 ( -1.646 0.000 3.286) 3.675 9.827 ( 2.201 0.000 -4.220) 4.760 9.830 ( -0.433 0.000 -0.894) 0.993 10.326 ( 1.198 0.000 0.618) 1.348 10.486 ( -4.737 0.000 1.993) 5.139 10.957 ( 3.902 0.000 5.913) 7.085 11.372 ( 3.134 0.000 -14.700) 15.030 12.108 ( -1.512 0.000 0.174) 1.522 12.140 ( -1.447 0.000 3.199) 3.511 13.052 ( -2.331 0.000 11.657) 11.887 13.223 ( 3.349 0.000 -11.220) 11.709 ======================= Grid point 136 (68/88) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 3.182 0.000 0.818) 3.286 1.357 ( -1.659 0.000 -0.608) 1.767 1.443 ( 4.475 0.000 16.554) 17.148 1.773 ( -7.741 0.000 -13.296) 15.385 1.971 ( -2.459 0.000 7.418) 7.815 2.030 ( -6.936 0.000 8.624) 11.068 2.158 ( 8.984 0.000 -4.332) 9.973 2.184 ( 0.919 0.000 -11.011) 11.049 2.608 ( -1.412 0.000 0.595) 1.532 2.627 ( -0.113 0.000 -2.456) 2.458 2.692 ( -5.450 0.000 2.475) 5.986 2.728 ( 1.404 0.000 4.434) 4.651 2.909 ( -0.450 0.000 8.755) 8.766 3.023 ( 7.912 0.000 -5.555) 9.667 3.104 ( -6.504 0.000 7.642) 10.035 3.184 ( -3.754 0.000 4.486) 5.850 3.233 ( 2.505 0.000 0.576) 2.571 3.362 ( -1.677 0.000 -9.357) 9.506 3.452 ( -1.748 0.000 6.206) 6.447 3.526 ( 5.284 0.000 4.155) 6.722 3.614 ( -1.254 0.000 -0.091) 1.258 3.622 ( -0.836 0.000 0.547) 0.999 3.645 ( 10.702 0.000 -0.452) 10.711 3.753 ( -1.697 0.000 -0.569) 1.790 3.791 ( -1.863 0.000 0.526) 1.936 3.952 ( -2.176 0.000 -7.432) 7.744 4.023 ( -4.888 0.000 -2.890) 5.679 4.031 ( 4.078 0.000 -2.601) 4.837 4.189 ( -1.164 0.000 5.255) 5.383 4.269 ( 0.547 0.000 -4.457) 4.490 4.323 ( 1.265 0.000 3.246) 3.484 4.388 ( -1.669 0.000 -0.358) 1.707 4.405 ( 1.375 0.000 -0.290) 1.405 4.446 ( 0.623 0.000 -2.854) 2.921 4.629 ( 2.892 0.000 -1.970) 3.500 4.636 ( -0.611 0.000 -1.872) 1.969 4.869 ( -2.590 0.000 2.090) 3.328 4.885 ( -2.503 0.000 0.887) 2.656 4.920 ( -2.292 0.000 0.025) 2.292 4.959 ( 6.074 0.000 -3.296) 6.911 5.040 ( -5.185 0.000 -1.350) 5.358 5.050 ( 3.653 0.000 -1.665) 4.015 5.506 ( -0.105 0.000 9.568) 9.568 5.540 ( -2.795 0.000 5.239) 5.938 5.632 ( -0.674 0.000 -3.507) 3.571 5.642 ( 1.082 0.000 -3.602) 3.761 5.795 ( 3.977 0.000 0.935) 4.086 5.862 ( 0.438 0.000 -6.609) 6.623 9.739 ( -0.879 0.000 5.293) 5.366 9.795 ( -0.903 0.000 2.514) 2.672 9.821 ( 0.144 0.000 -2.052) 2.057 9.864 ( 2.929 0.000 -4.988) 5.784 10.388 ( 5.160 0.000 0.706) 5.208 10.399 ( -3.978 0.000 -0.664) 4.033 11.055 ( 2.810 0.000 10.136) 10.518 11.305 ( -4.456 0.000 -15.679) 16.300 12.116 ( -1.725 0.000 1.633) 2.375 12.118 ( 1.918 0.000 1.855) 2.668 13.026 ( -4.444 0.000 12.192) 12.977 13.252 ( 3.367 0.000 -10.392) 10.924 ======================= Grid point 137 (69/88) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -7.299 0.000 -1.522) 7.456 1.346 ( -1.313 0.000 -0.296) 1.346 1.534 ( -4.023 0.000 19.456) 19.868 1.601 ( -6.507 0.000 -7.706) 10.086 1.972 ( 1.548 0.000 -0.067) 1.549 2.007 ( 5.189 0.000 3.250) 6.123 2.245 ( 6.676 0.000 -2.621) 7.173 2.352 ( 9.891 0.000 -1.906) 10.073 2.602 ( -1.812 0.000 7.021) 7.252 2.628 ( 0.047 0.000 -2.874) 2.874 2.640 ( -0.133 0.000 -1.129) 1.137 2.710 ( -4.408 0.000 7.743) 8.910 2.828 ( -9.330 0.000 15.819) 18.365 3.053 ( -6.223 0.000 -6.666) 9.119 3.067 ( 3.434 0.000 -1.464) 3.733 3.139 ( 3.070 0.000 -5.518) 6.314 3.242 ( -2.790 0.000 -0.918) 2.937 3.286 ( -0.602 0.000 -2.909) 2.971 3.489 ( 0.606 0.000 6.389) 6.418 3.552 ( -3.145 0.000 7.529) 8.159 3.560 ( -3.831 0.000 -5.559) 6.751 3.688 ( 3.496 0.000 -0.930) 3.617 3.697 ( -1.116 0.000 -5.476) 5.589 3.821 ( 0.005 0.000 -7.343) 7.343 3.847 ( 1.746 0.000 -4.534) 4.859 3.853 ( 5.628 0.000 7.681) 9.522 3.929 ( -2.435 0.000 0.130) 2.439 4.089 ( 1.905 0.000 -0.623) 2.005 4.194 ( -0.424 0.000 3.592) 3.617 4.276 ( 2.624 0.000 -3.992) 4.777 4.334 ( -0.119 0.000 4.478) 4.479 4.375 ( 0.707 0.000 -3.631) 3.699 4.477 ( 5.366 0.000 1.930) 5.703 4.486 ( 2.818 0.000 -1.996) 3.453 4.593 ( -2.608 0.000 -3.873) 4.670 4.649 ( 0.174 0.000 -2.557) 2.563 4.780 ( -6.870 0.000 0.515) 6.889 4.852 ( 0.407 0.000 3.455) 3.479 4.899 ( -8.775 0.000 1.993) 8.999 4.918 ( 0.280 0.000 -0.711) 0.764 5.036 ( 2.577 0.000 -3.407) 4.271 5.089 ( 0.723 0.000 0.121) 0.733 5.522 ( -1.009 0.000 4.707) 4.814 5.551 ( 1.069 0.000 9.202) 9.264 5.598 ( -0.580 0.000 -2.660) 2.722 5.687 ( 3.537 0.000 -3.426) 4.924 5.849 ( 0.969 0.000 -8.435) 8.490 5.871 ( 3.765 0.000 -1.811) 4.178 9.733 ( -1.521 0.000 4.907) 5.138 9.799 ( 0.454 0.000 2.146) 2.194 9.814 ( -0.097 0.000 -2.834) 2.836 9.900 ( 2.641 0.000 -5.884) 6.450 10.346 ( -1.084 0.000 -1.538) 1.882 10.524 ( 8.875 0.000 -1.171) 8.952 11.113 ( -0.890 0.000 11.447) 11.482 11.117 ( -9.873 0.000 -11.335) 15.032 12.095 ( -0.893 0.000 1.576) 1.811 12.177 ( 3.502 0.000 0.065) 3.502 12.977 ( -4.872 0.000 13.270) 14.136 13.271 ( 2.075 0.000 -10.108) 10.319 ======================= Grid point 138 (70/88) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -2.432 0.000 0.158) 2.437 1.251 ( -9.729 0.000 4.714) 10.811 1.486 ( -3.445 0.000 -1.915) 3.941 1.492 ( -3.084 0.000 9.181) 9.685 2.074 ( 8.016 0.000 -1.052) 8.085 2.145 ( 7.592 0.000 -0.714) 7.625 2.352 ( 1.686 0.000 10.176) 10.315 2.474 ( 2.132 0.000 -0.724) 2.252 2.515 ( -10.502 0.000 12.096) 16.018 2.574 ( 1.304 0.000 -1.331) 1.863 2.693 ( 4.480 0.000 5.490) 7.086 2.726 ( 0.271 0.000 -1.645) 1.667 2.780 ( 1.007 0.000 10.092) 10.142 2.919 ( -3.818 0.000 -12.087) 12.676 3.092 ( -3.943 0.000 -4.418) 5.921 3.128 ( -1.296 0.000 -9.537) 9.624 3.234 ( 7.300 0.000 -3.131) 7.943 3.307 ( 0.638 0.000 2.335) 2.421 3.458 ( -2.555 0.000 -0.251) 2.567 3.495 ( -2.188 0.000 -2.424) 3.266 3.514 ( -3.137 0.000 6.351) 7.083 3.625 ( -9.773 0.000 3.089) 10.250 3.686 ( -0.596 0.000 1.191) 1.332 3.687 ( -1.123 0.000 -10.037) 10.099 3.930 ( 1.815 0.000 1.104) 2.125 3.969 ( 2.007 0.000 2.988) 3.600 3.986 ( 7.646 0.000 -6.646) 10.131 4.100 ( -0.151 0.000 0.516) 0.538 4.198 ( 1.365 0.000 0.552) 1.472 4.329 ( 1.592 0.000 -1.292) 2.051 4.368 ( 1.359 0.000 5.788) 5.945 4.392 ( 2.454 0.000 -1.350) 2.801 4.497 ( -2.709 0.000 -0.668) 2.791 4.551 ( -0.714 0.000 -2.453) 2.555 4.559 ( 2.241 0.000 -0.302) 2.262 4.647 ( 1.985 0.000 0.508) 2.049 4.686 ( -0.660 0.000 -3.618) 3.678 4.732 ( -9.412 0.000 4.527) 10.444 4.900 ( -2.080 0.000 0.222) 2.092 4.902 ( 3.163 0.000 0.980) 3.312 5.049 ( 0.199 0.000 -2.368) 2.377 5.083 ( -1.163 0.000 0.199) 1.180 5.523 ( -0.562 0.000 4.171) 4.209 5.594 ( 1.019 0.000 -3.161) 3.321 5.601 ( 0.910 0.000 8.563) 8.611 5.742 ( 2.824 0.000 -1.236) 3.083 5.843 ( 1.559 0.000 -8.977) 9.111 5.905 ( 0.133 0.000 -3.431) 3.433 9.720 ( -1.362 0.000 4.317) 4.527 9.800 ( -0.182 0.000 -3.184) 3.189 9.820 ( 0.730 0.000 2.523) 2.627 9.919 ( 1.252 0.000 -5.804) 5.938 10.355 ( 2.604 0.000 -1.040) 2.804 10.637 ( -0.746 0.000 -7.486) 7.523 10.949 ( 0.093 0.000 -1.410) 1.413 11.092 ( -4.978 0.000 9.503) 10.728 12.098 ( 0.399 0.000 3.275) 3.299 12.232 ( 2.402 0.000 -3.492) 4.239 12.947 ( -2.755 0.000 14.466) 14.726 13.261 ( 0.602 0.000 -10.604) 10.621 ======================= Grid point 139 (71/88) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -4.321 6.826 11.299) 13.890 1.250 ( -1.744 9.536 6.489) 11.665 1.460 ( 1.607 1.780 0.978) 2.590 1.582 ( 1.145 7.253 -5.428) 9.131 2.145 ( 1.199 -4.392 -0.144) 4.555 2.184 ( 1.937 -6.144 -5.786) 8.659 2.367 ( 0.830 -2.045 3.716) 4.322 2.443 ( 6.412 -4.166 -2.230) 7.965 2.532 ( -1.097 -0.719 8.472) 8.573 2.573 ( -5.808 5.554 15.606) 17.553 2.605 ( -0.489 -4.086 -2.076) 4.609 2.813 ( -0.114 0.360 -1.414) 1.464 2.854 ( 2.170 -2.019 -3.519) 4.601 2.880 ( -3.988 -1.165 2.506) 4.853 2.998 ( -0.673 5.410 -2.236) 5.892 3.061 ( -0.815 2.987 -7.929) 8.512 3.268 ( 2.628 -6.903 1.253) 7.492 3.291 ( -4.540 -1.832 1.006) 4.998 3.387 ( 0.889 -3.675 1.881) 4.223 3.444 ( -2.197 -2.374 -3.219) 4.563 3.483 ( 3.687 0.123 1.704) 4.064 3.560 ( -0.339 3.944 -5.684) 6.926 3.650 ( -0.895 0.757 5.159) 5.290 3.753 ( 3.712 2.851 -5.808) 7.459 3.935 ( -3.404 0.040 0.372) 3.424 3.958 ( 2.168 -0.643 -1.127) 2.526 4.034 ( -1.100 -1.950 1.810) 2.879 4.109 ( 2.048 0.294 -5.334) 5.721 4.251 ( -4.488 -2.215 1.911) 5.357 4.281 ( 4.025 -0.550 -0.738) 4.129 4.403 ( -4.690 3.034 6.567) 8.621 4.487 ( 0.684 3.283 0.760) 3.439 4.518 ( 1.892 4.521 1.274) 5.064 4.577 ( -0.221 4.551 -5.569) 7.195 4.640 ( -0.119 2.329 2.409) 3.353 4.667 ( -2.420 3.054 0.733) 3.965 4.684 ( 1.447 4.465 1.693) 4.990 4.772 ( 4.078 3.659 -4.324) 6.980 4.848 ( 1.224 -2.485 2.461) 3.705 4.906 ( -1.701 -2.267 -2.986) 4.117 5.042 ( 1.918 -0.987 -0.804) 2.302 5.048 ( -1.140 -0.250 -1.438) 1.852 5.508 ( -1.005 -1.615 3.920) 4.357 5.577 ( 1.501 -2.683 -0.226) 3.083 5.621 ( -1.308 -2.068 4.755) 5.348 5.727 ( -0.591 -3.467 0.128) 3.520 5.823 ( -0.073 -2.432 -3.474) 4.241 5.834 ( -0.504 -2.176 -6.086) 6.483 9.673 ( -0.803 -3.428 3.733) 5.132 9.745 ( 0.651 -3.588 -3.119) 4.799 9.850 ( -0.582 0.563 2.117) 2.267 9.902 ( -0.275 -0.440 -3.134) 3.177 10.444 ( 4.409 1.209 0.655) 4.618 10.467 ( -7.936 0.032 -1.034) 8.003 10.988 ( -5.634 -1.530 2.937) 6.535 11.065 ( 10.870 -3.645 -4.456) 12.300 12.198 ( -1.260 7.266 6.369) 9.744 12.309 ( -0.003 7.348 -4.586) 8.662 12.990 ( 0.343 1.304 12.469) 12.542 13.228 ( 0.231 -0.467 -11.033) 11.045 ======================= Grid point 140 (72/88) ======================= q-point: ( 0.17 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.538 10.438 9.487) 14.115 1.284 ( 2.243 6.528 8.330) 10.818 1.498 ( 0.261 5.100 0.119) 5.108 1.646 ( 8.094 3.056 -2.953) 9.142 2.087 ( -4.241 -3.627 -7.651) 9.470 2.175 ( -1.579 -3.096 -3.682) 5.063 2.405 ( -1.057 -6.587 -2.112) 6.998 2.456 ( -8.504 -1.796 2.204) 8.967 2.494 ( -3.934 -2.259 -0.348) 4.550 2.568 ( 2.128 -10.552 -3.666) 11.372 2.604 ( 3.430 8.595 20.196) 22.215 2.749 ( -2.570 -2.131 -1.637) 3.718 2.817 ( -0.575 -0.037 0.905) 1.073 2.959 ( -1.769 5.970 -4.289) 7.561 2.997 ( 8.561 -0.619 5.448) 10.167 3.111 ( 4.151 4.335 -2.714) 6.587 3.206 ( -0.327 1.554 -1.814) 2.411 3.313 ( -1.091 -5.576 4.654) 7.344 3.344 ( -0.362 -2.010 -0.945) 2.250 3.474 ( 1.019 -1.792 1.126) 2.349 3.538 ( 0.435 -0.812 3.792) 3.902 3.614 ( 7.696 0.267 -5.296) 9.346 3.658 ( 0.115 0.118 0.513) 0.539 3.794 ( 1.620 2.103 -6.506) 7.026 3.863 ( -2.846 0.505 1.917) 3.468 3.960 ( -3.350 -2.894 -2.250) 4.966 4.014 ( 1.562 0.381 -0.444) 1.668 4.163 ( 0.125 3.735 -0.987) 3.865 4.197 ( 0.829 -1.243 0.347) 1.534 4.244 ( -4.657 -0.815 4.086) 6.249 4.369 ( -6.084 1.402 2.094) 6.585 4.463 ( 0.871 1.448 1.489) 2.253 4.527 ( -3.168 0.213 -1.218) 3.401 4.568 ( 0.898 4.061 0.910) 4.257 4.614 ( -0.416 5.622 -3.772) 6.783 4.673 ( 3.968 2.602 0.203) 4.750 4.700 ( -2.116 4.339 -2.144) 5.282 4.852 ( 4.632 2.108 -2.697) 5.760 4.879 ( 2.352 -1.833 -0.821) 3.093 4.908 ( 2.059 -1.676 1.200) 2.913 5.020 ( -1.097 1.099 -1.454) 2.127 5.091 ( 2.902 -1.267 -1.565) 3.532 5.491 ( -2.380 -2.304 4.945) 5.952 5.591 ( -0.581 -2.443 -2.186) 3.330 5.613 ( 0.166 -4.707 4.376) 6.429 5.685 ( -4.169 -1.428 2.312) 4.976 5.762 ( -2.300 -0.663 -1.582) 2.869 5.853 ( 1.837 -2.072 -4.994) 5.711 9.675 ( -0.334 -3.532 3.871) 5.251 9.754 ( 1.300 -3.645 -3.146) 4.987 9.842 ( -0.935 0.369 2.042) 2.276 9.877 ( -1.315 0.849 -1.185) 1.963 10.357 ( -3.345 1.493 0.778) 3.745 10.515 ( 1.080 -0.268 3.252) 3.437 10.913 ( -1.820 -0.401 0.735) 2.003 11.234 ( 8.701 -5.338 -9.853) 14.187 12.172 ( -3.171 5.298 5.522) 8.284 12.289 ( -0.888 9.151 -1.502) 9.315 13.041 ( 0.223 0.830 11.083) 11.117 13.208 ( 1.814 -0.404 -11.091) 11.246 ======================= Grid point 141 (73/88) ======================= q-point: ( 0.33 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 6.707 7.252 7.061) 12.142 1.375 ( 4.294 5.862 4.260) 8.424 1.478 ( -2.712 6.925 5.755) 9.404 1.831 ( 9.996 -1.141 1.862) 10.232 1.959 ( -5.121 -0.277 -13.890) 14.806 2.120 ( -1.947 0.154 -4.199) 4.631 2.216 ( -12.022 -2.718 -0.160) 12.326 2.302 ( -8.605 0.955 4.175) 9.612 2.476 ( -0.607 -10.438 -2.140) 10.673 2.581 ( 0.793 -5.461 -5.261) 7.624 2.711 ( -1.984 -3.341 6.320) 7.419 2.794 ( 7.737 2.973 10.263) 13.192 2.809 ( -1.395 0.911 0.623) 1.779 2.925 ( 1.702 2.348 -3.335) 4.419 3.125 ( -0.436 -1.413 0.803) 1.683 3.186 ( 8.384 3.591 2.553) 9.471 3.280 ( 2.239 3.301 -0.068) 3.989 3.312 ( 3.563 3.044 1.334) 4.872 3.403 ( 5.815 -2.754 -0.383) 6.446 3.465 ( -2.774 -2.577 4.441) 5.836 3.543 ( -0.550 -1.577 2.349) 2.882 3.634 ( -1.595 -0.033 -0.072) 1.597 3.737 ( 2.883 -0.484 -0.297) 2.939 3.778 ( -3.088 5.865 2.816) 7.202 3.804 ( -1.151 0.188 -2.713) 2.953 3.923 ( 0.030 -5.929 -4.342) 7.349 4.014 ( 0.190 1.592 -3.087) 3.478 4.086 ( -4.506 0.054 -1.395) 4.717 4.218 ( -2.716 -1.284 3.346) 4.497 4.243 ( -1.533 0.479 2.640) 3.090 4.290 ( 3.729 1.689 -2.631) 4.867 4.429 ( -3.233 1.175 1.081) 3.606 4.466 ( -3.873 0.500 1.226) 4.093 4.577 ( -2.370 5.623 -4.476) 7.568 4.587 ( 1.966 3.178 -2.791) 4.664 4.674 ( -0.118 2.997 -0.832) 3.112 4.778 ( 6.587 -2.093 -1.875) 7.161 4.883 ( 0.985 -1.398 -0.282) 1.734 4.932 ( -0.014 -0.565 0.793) 0.974 4.952 ( 1.239 1.303 0.325) 1.827 5.014 ( 2.832 2.993 -2.854) 5.012 5.121 ( 0.369 1.042 -1.922) 2.217 5.460 ( -2.645 -3.487 8.006) 9.125 5.560 ( -2.908 -3.437 3.679) 5.815 5.622 ( -1.323 -0.326 -2.320) 2.691 5.631 ( 0.565 -3.900 -2.544) 4.691 5.737 ( -0.338 -0.560 2.711) 2.788 5.861 ( 0.978 -1.311 -5.654) 5.886 9.684 ( -0.160 -3.713 4.076) 5.516 9.767 ( 0.907 -3.511 -2.697) 4.519 9.835 ( -0.029 0.297 0.499) 0.581 9.854 ( -0.740 1.241 -0.296) 1.475 10.340 ( 1.024 1.535 1.039) 2.117 10.490 ( -3.790 0.228 1.402) 4.048 10.939 ( 2.927 -1.481 4.233) 5.355 11.305 ( 2.690 -6.308 -14.058) 15.641 12.142 ( -1.435 5.523 5.976) 8.263 12.263 ( -1.577 9.271 -0.067) 9.404 13.060 ( -2.133 0.804 10.853) 11.090 13.223 ( 3.460 -0.137 -10.731) 11.276 ======================= Grid point 142 (74/88) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -5.583 2.780 3.664) 7.234 1.396 ( 5.687 5.153 2.173) 7.976 1.511 ( 3.521 6.323 11.037) 13.199 1.786 ( -6.640 1.309 -11.485) 13.331 1.973 ( 0.028 0.538 5.054) 5.082 2.051 ( -6.483 1.582 5.854) 8.877 2.127 ( 3.735 -1.733 -3.822) 5.618 2.200 ( 3.471 1.020 -8.070) 8.844 2.478 ( 1.224 -9.179 1.287) 9.349 2.533 ( -4.297 -7.060 -3.102) 8.828 2.683 ( -1.834 -2.113 5.046) 5.770 2.796 ( 0.778 2.364 0.870) 2.637 2.922 ( 2.014 0.495 0.187) 2.082 2.992 ( 4.688 -1.667 -2.076) 5.391 3.136 ( -1.557 2.710 8.350) 8.916 3.254 ( -4.275 3.906 2.909) 6.481 3.295 ( 0.163 4.859 0.026) 4.862 3.333 ( 0.454 -0.164 1.982) 2.040 3.394 ( -5.962 -2.887 3.297) 7.399 3.535 ( 6.099 -1.987 -5.191) 8.252 3.593 ( 4.482 -1.545 -0.229) 4.747 3.612 ( -0.512 -1.329 -0.635) 1.559 3.681 ( -2.227 5.384 6.472) 8.709 3.767 ( -1.052 -1.713 5.524) 5.879 3.810 ( 1.971 3.778 -2.192) 4.792 3.971 ( -0.598 -1.758 -2.233) 2.904 3.983 ( -1.119 -2.610 -3.475) 4.488 4.002 ( 2.005 0.533 -10.351) 10.557 4.177 ( -0.805 -0.296 5.023) 5.095 4.250 ( 0.730 -0.707 -0.840) 1.319 4.352 ( 0.541 -0.048 1.547) 1.639 4.404 ( -0.120 -0.529 2.108) 2.177 4.408 ( -0.773 4.473 0.013) 4.539 4.514 ( -0.752 4.118 -4.842) 6.401 4.643 ( -2.317 1.096 -1.895) 3.187 4.647 ( 3.593 1.920 -2.211) 4.635 4.853 ( -2.073 -1.894 0.583) 2.868 4.880 ( 1.075 -2.880 -1.535) 3.436 4.907 ( -2.592 1.627 3.837) 4.908 4.975 ( 3.405 1.410 -3.126) 4.832 5.072 ( -0.587 2.789 -0.955) 3.006 5.084 ( -0.747 2.999 -1.675) 3.515 5.463 ( -0.155 -3.976 9.278) 10.095 5.520 ( -2.435 -2.012 5.151) 6.043 5.606 ( 0.075 -2.572 -4.501) 5.185 5.632 ( 1.760 -1.057 -4.480) 4.928 5.767 ( 2.153 -2.474 2.002) 3.843 5.856 ( 0.765 -0.859 -6.656) 6.754 9.692 ( -0.623 -3.886 4.247) 5.790 9.766 ( -0.029 -2.601 -1.792) 3.158 9.841 ( 0.176 0.471 -0.614) 0.793 9.855 ( 1.503 -0.193 -1.980) 2.494 10.396 ( 3.821 1.035 1.124) 4.115 10.418 ( -2.577 1.488 -1.230) 3.220 11.013 ( 1.705 -3.613 8.797) 9.662 11.244 ( -3.493 -5.773 -14.770) 16.238 12.160 ( 0.578 6.333 6.427) 9.041 12.237 ( -0.472 8.915 -1.110) 8.996 13.037 ( -4.127 1.065 11.423) 12.193 13.255 ( 3.418 0.042 -10.316) 10.867 ======================= Grid point 143 (75/88) ======================= q-point: (-0.33 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -6.872 1.875 5.182) 8.809 1.416 ( -2.863 6.058 -1.970) 6.984 1.581 ( -4.053 4.990 14.984) 16.305 1.657 ( -3.369 5.439 -6.443) 9.080 1.964 ( 1.580 -0.558 -3.661) 4.027 2.020 ( 3.682 1.457 3.682) 5.407 2.218 ( 6.676 -3.043 -0.527) 7.355 2.336 ( 6.594 -1.905 -0.133) 6.865 2.445 ( -2.428 -8.915 0.528) 9.254 2.522 ( 2.492 -6.967 -0.121) 7.400 2.693 ( 2.083 0.221 0.375) 2.128 2.818 ( -0.003 3.548 5.310) 6.387 2.881 ( -8.628 6.314 7.337) 12.967 3.042 ( -5.001 -0.245 -4.241) 6.561 3.066 ( 1.965 -0.579 0.287) 2.069 3.148 ( -2.957 -0.278 0.280) 2.984 3.257 ( -3.634 3.167 -2.980) 5.667 3.329 ( -1.840 2.296 -1.440) 3.275 3.400 ( 2.132 -4.929 7.194) 8.977 3.513 ( -3.834 -3.982 -3.586) 6.589 3.592 ( -0.862 0.664 3.092) 3.278 3.644 ( -0.512 -0.120 -5.706) 5.730 3.694 ( -0.828 -0.525 2.166) 2.378 3.798 ( 1.252 -2.029 1.092) 2.622 3.863 ( -2.238 -0.805 -2.067) 3.151 3.893 ( 3.001 2.661 -3.897) 5.592 3.946 ( 1.904 2.521 1.245) 3.395 4.122 ( 6.559 1.431 -3.232) 7.451 4.196 ( 0.776 2.160 2.036) 3.068 4.281 ( 0.830 0.587 0.873) 1.339 4.319 ( 1.052 -3.605 -2.660) 4.602 4.398 ( -0.193 4.027 1.441) 4.281 4.476 ( 4.542 -0.228 3.806) 5.930 4.527 ( 2.928 2.695 -2.140) 4.518 4.579 ( -3.411 0.968 -2.272) 4.211 4.694 ( 1.306 1.568 -1.481) 2.522 4.766 ( -5.058 0.746 -1.828) 5.430 4.853 ( -1.736 -1.136 3.421) 4.000 4.915 ( -0.810 0.424 0.601) 1.094 4.966 ( -6.145 4.905 0.029) 7.863 5.023 ( 2.265 -0.272 -3.502) 4.180 5.099 ( -0.451 1.028 0.379) 1.185 5.499 ( 0.197 -2.947 5.683) 6.405 5.510 ( 0.174 -2.559 5.299) 5.887 5.600 ( 0.739 -0.516 -2.449) 2.610 5.668 ( 2.926 -1.820 -2.599) 4.316 5.806 ( 1.714 -3.786 -4.130) 5.859 5.857 ( 1.866 -1.684 -5.188) 5.765 9.688 ( -1.140 -3.743 4.058) 5.637 9.758 ( -0.113 -2.925 -2.077) 3.589 9.843 ( 0.237 1.190 0.048) 1.214 9.882 ( 2.168 -1.419 -3.840) 4.633 10.369 ( -0.842 2.206 -1.963) 3.070 10.516 ( 7.330 -0.603 -0.673) 7.386 11.017 ( -5.664 -5.493 3.845) 8.777 11.124 ( -3.211 -2.587 -4.136) 5.840 12.178 ( -0.523 7.950 4.009) 8.919 12.259 ( 2.825 7.476 -0.907) 8.043 12.992 ( -4.487 1.416 12.238) 13.111 13.274 ( 2.002 -0.052 -10.209) 10.403 ======================= Grid point 144 (76/88) ======================= q-point: (-0.17 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -3.584 3.754 8.263) 9.758 1.322 ( -5.774 7.021 0.003) 9.091 1.490 ( -6.478 3.966 8.874) 11.681 1.600 ( -1.136 7.604 -4.212) 8.766 2.049 ( 7.098 -1.979 -3.982) 8.376 2.138 ( 5.575 -1.446 -0.118) 5.761 2.321 ( 2.307 -4.479 6.702) 8.384 2.377 ( 1.062 -5.589 1.835) 5.978 2.494 ( 3.508 -5.670 2.593) 7.154 2.567 ( 3.162 -4.944 -2.878) 6.536 2.687 ( -10.868 11.235 13.150) 20.427 2.765 ( 2.254 -2.662 4.534) 5.721 2.840 ( 0.962 5.507 2.013) 5.942 2.932 ( -2.889 0.818 -7.478) 8.058 3.098 ( -4.154 0.242 -0.791) 4.235 3.119 ( -0.553 -3.776 -9.623) 10.352 3.193 ( 2.223 -0.551 -2.050) 3.073 3.315 ( 1.359 -0.094 0.732) 1.546 3.402 ( -3.678 -5.643 0.359) 6.745 3.447 ( -1.495 0.237 3.348) 3.675 3.552 ( -5.687 -0.241 -1.318) 5.843 3.611 ( 0.211 -1.783 -3.844) 4.243 3.647 ( -3.033 2.292 3.691) 5.299 3.746 ( -1.517 2.424 -5.157) 5.897 3.890 ( 2.991 -3.353 1.867) 4.866 3.970 ( 5.041 -0.353 -4.202) 6.572 3.997 ( 0.420 1.755 1.568) 2.391 4.151 ( -2.462 3.012 -0.497) 3.922 4.207 ( 1.374 0.295 -0.625) 1.538 4.300 ( 1.221 -2.569 0.182) 2.851 4.405 ( 4.419 2.614 1.425) 5.328 4.431 ( 3.188 3.087 1.655) 4.737 4.507 ( -2.789 2.040 -1.008) 3.599 4.568 ( 3.892 2.805 1.222) 4.951 4.588 ( 2.003 0.825 0.973) 2.375 4.688 ( -0.730 2.825 -1.528) 3.294 4.692 ( -0.147 2.121 -1.632) 2.680 4.801 ( -7.558 5.581 1.298) 9.485 4.851 ( -0.633 -3.278 1.156) 3.533 4.928 ( -0.402 0.963 -0.106) 1.049 5.033 ( 0.135 -0.263 -2.489) 2.507 5.077 ( -1.523 -0.413 -0.214) 1.592 5.507 ( -0.477 -1.536 4.168) 4.467 5.546 ( 1.414 -3.366 2.376) 4.356 5.614 ( 0.560 0.025 1.982) 2.059 5.713 ( 1.949 -3.016 -0.273) 3.601 5.811 ( 1.610 -3.148 -8.063) 8.804 5.871 ( 0.402 -3.183 -4.281) 5.350 9.679 ( -1.168 -3.494 3.793) 5.287 9.749 ( 0.072 -3.509 -2.827) 4.507 9.849 ( 0.061 1.104 1.289) 1.698 9.904 ( 1.386 -1.373 -4.267) 4.692 10.377 ( 2.401 2.183 -1.530) 3.588 10.600 ( -1.237 -2.726 -4.538) 5.437 10.924 ( 1.155 -2.100 0.002) 2.397 11.073 ( -4.218 -2.441 5.010) 6.990 12.186 ( 0.020 8.423 4.451) 9.527 12.305 ( 2.078 6.710 -3.045) 7.656 12.965 ( -2.457 1.607 13.009) 13.336 13.261 ( 0.439 -0.287 -10.531) 10.544 ======================= Grid point 145 (77/88) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.354 10.253 13.806) 17.201 1.484 ( -4.664 12.586 11.091) 17.412 1.564 ( 2.263 9.104 -7.459) 11.985 1.737 ( 0.934 7.843 -9.579) 12.416 2.030 ( 0.311 -8.005 0.288) 8.017 2.059 ( 1.641 -5.620 -3.763) 6.960 2.309 ( -0.451 -4.440 -0.041) 4.463 2.338 ( 4.469 -3.988 -2.342) 6.432 2.403 ( 0.459 -6.379 8.008) 10.248 2.513 ( -3.020 -5.792 -2.556) 7.015 2.665 ( 1.747 -8.271 1.731) 8.629 2.750 ( -0.505 -8.873 -5.973) 10.708 2.845 ( -5.158 11.439 11.243) 16.848 2.975 ( -0.575 8.140 -1.872) 8.372 3.076 ( 0.311 1.155 1.453) 1.882 3.133 ( 1.880 1.517 0.548) 2.477 3.194 ( -1.435 2.016 0.874) 2.624 3.239 ( -0.683 -1.351 1.443) 2.091 3.340 ( 1.547 -1.567 1.422) 2.621 3.392 ( -2.518 -2.479 -3.677) 5.099 3.488 ( -0.183 0.871 4.740) 4.822 3.646 ( -0.645 4.028 -3.710) 5.514 3.679 ( 0.047 2.790 1.049) 2.981 3.803 ( 2.859 1.934 -6.447) 7.313 3.926 ( 3.499 -0.243 2.570) 4.348 3.969 ( -3.167 0.000 -0.910) 3.295 3.999 ( -3.848 -0.256 1.738) 4.230 4.111 ( 4.338 0.170 -7.672) 8.815 4.197 ( -3.989 -3.323 1.988) 5.559 4.237 ( 4.601 -3.834 -1.492) 6.172 4.456 ( -3.346 0.060 6.329) 7.159 4.517 ( -1.663 -2.035 0.642) 2.705 4.607 ( -1.368 5.316 1.946) 5.824 4.645 ( 1.472 2.566 -2.021) 3.583 4.687 ( 1.799 2.294 1.499) 3.278 4.711 ( -0.075 1.742 0.275) 1.765 4.776 ( 3.738 1.127 3.138) 5.009 4.786 ( 0.432 1.381 1.269) 1.925 4.829 ( -0.721 -1.126 -1.202) 1.798 4.914 ( -1.342 3.530 -6.849) 7.822 5.056 ( 1.654 3.420 0.818) 3.886 5.092 ( -1.103 4.869 -3.338) 6.006 5.469 ( -1.106 -2.134 3.850) 4.539 5.522 ( 1.451 -2.089 2.768) 3.759 5.556 ( -4.130 -4.310 4.934) 7.745 5.658 ( 1.272 -3.332 -1.413) 3.836 5.755 ( 0.725 -4.286 -5.080) 6.686 5.765 ( 0.814 -4.632 -7.005) 8.437 9.614 ( -0.408 -2.028 2.194) 3.015 9.674 ( 0.667 -3.280 -3.584) 4.904 9.848 ( -0.761 -0.643 1.414) 1.730 9.881 ( 0.554 -1.644 -1.939) 2.601 10.479 ( 1.423 2.120 -0.163) 2.558 10.488 ( -3.874 2.062 -0.761) 4.454 10.939 ( -3.160 -3.206 0.276) 4.509 10.976 ( 7.769 -4.933 -2.800) 9.620 12.380 ( -3.143 10.282 7.463) 13.088 12.475 ( 0.819 8.501 -1.437) 8.661 13.018 ( 0.381 1.357 8.245) 8.365 13.200 ( 0.103 -2.622 -9.175) 9.543 ======================= Grid point 146 (78/88) ======================= q-point: ( 0.17 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.614 12.694 8.079) 15.059 1.456 ( -0.530 9.872 12.250) 15.742 1.610 ( 4.584 6.874 -9.916) 12.907 1.747 ( 1.702 6.297 -1.151) 6.624 2.001 ( -1.465 -4.689 -5.716) 7.537 2.095 ( 2.252 -5.477 -0.837) 5.980 2.281 ( -1.632 -5.387 -3.074) 6.413 2.367 ( -8.939 -6.288 -3.789) 11.567 2.409 ( 0.082 -4.554 -1.651) 4.844 2.424 ( 1.280 -5.049 6.355) 8.217 2.620 ( -2.441 -6.210 -2.479) 7.118 2.812 ( 2.065 4.816 5.111) 7.320 2.848 ( 0.145 -0.808 5.068) 5.134 2.967 ( 0.811 3.316 1.706) 3.817 3.035 ( -0.784 2.148 -1.330) 2.645 3.156 ( 0.817 0.776 -3.352) 3.536 3.207 ( 1.322 -4.707 7.504) 8.956 3.315 ( 6.273 7.935 1.921) 10.296 3.325 ( 1.404 0.498 -0.822) 1.702 3.433 ( 2.171 -2.100 0.675) 3.095 3.496 ( -0.680 -2.132 3.705) 4.329 3.629 ( -0.584 0.943 4.389) 4.527 3.694 ( 2.315 3.659 -6.498) 7.808 3.830 ( 0.822 -0.350 -5.323) 5.397 3.876 ( -3.332 1.317 -2.112) 4.159 3.914 ( -2.942 -0.445 1.709) 3.431 4.023 ( 2.694 0.413 0.049) 2.726 4.156 ( 0.508 -3.041 1.132) 3.284 4.203 ( 5.169 0.251 -5.241) 7.365 4.274 ( -4.054 1.476 1.713) 4.642 4.392 ( -2.860 1.803 3.111) 4.594 4.451 ( -4.449 -4.599 2.542) 6.885 4.535 ( -3.919 3.726 2.857) 6.116 4.658 ( -0.390 2.931 -1.189) 3.187 4.697 ( -1.156 4.393 -0.143) 4.545 4.732 ( 1.576 2.260 -1.095) 2.965 4.788 ( -1.644 1.989 -4.967) 5.597 4.812 ( 1.218 -2.517 -1.218) 3.051 4.867 ( 3.580 0.377 3.754) 5.202 4.917 ( 2.969 -0.496 -2.092) 3.666 5.057 ( -0.109 3.174 -2.762) 4.209 5.116 ( 3.276 4.515 -0.353) 5.590 5.444 ( -3.355 -2.083 4.745) 6.173 5.497 ( -2.811 -4.852 5.453) 7.822 5.562 ( 1.548 -1.683 -0.553) 2.352 5.648 ( -2.009 -2.367 -0.350) 3.125 5.714 ( -1.487 -3.760 -1.947) 4.488 5.797 ( 3.173 -3.675 -7.525) 8.956 9.615 ( -0.229 -2.117 2.200) 3.062 9.680 ( 1.160 -3.528 -3.780) 5.299 9.839 ( -0.637 -0.520 1.277) 1.519 9.878 ( -0.331 -0.839 -1.147) 1.459 10.405 ( -2.920 3.276 0.893) 4.479 10.514 ( 0.035 0.178 1.601) 1.611 10.900 ( -0.340 -0.739 -1.402) 1.621 11.103 ( 6.602 -7.407 -7.491) 12.432 12.331 ( -4.034 9.863 7.918) 13.276 12.473 ( -1.025 8.494 0.761) 8.589 13.058 ( 0.681 0.834 7.264) 7.344 13.187 ( 1.862 -1.897 -8.879) 9.268 ======================= Grid point 147 (79/88) ======================= q-point: ( 0.33 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 2.734 10.333 6.944) 12.746 1.518 ( 1.387 8.141 5.476) 9.908 1.622 ( -1.334 6.736 -1.712) 7.077 1.806 ( 3.832 -1.318 3.236) 5.186 1.968 ( 1.444 1.007 -10.378) 10.527 2.106 ( -2.357 -1.215 -3.099) 4.078 2.188 ( -5.514 -0.677 0.457) 5.574 2.250 ( -0.063 -8.708 -1.774) 8.887 2.338 ( -6.332 1.016 1.249) 6.534 2.476 ( 0.730 -5.555 -5.072) 7.558 2.579 ( -1.487 -7.679 4.616) 9.082 2.800 ( -2.366 -3.624 -3.826) 5.777 2.914 ( 4.328 6.181 7.832) 10.876 2.943 ( -0.450 2.612 0.245) 2.662 3.098 ( 2.917 -0.725 -0.358) 3.027 3.221 ( 5.659 -2.266 0.906) 6.163 3.271 ( 4.314 -2.095 2.000) 5.196 3.361 ( 1.345 1.956 -0.742) 2.487 3.403 ( -3.006 -1.938 7.870) 8.645 3.458 ( 1.653 -1.833 -2.343) 3.403 3.518 ( 5.601 6.159 4.490) 9.459 3.650 ( -0.479 1.800 5.101) 5.430 3.727 ( 2.820 0.365 -5.306) 6.020 3.791 ( -1.784 -4.757 0.108) 5.082 3.817 ( -2.001 0.737 -2.922) 3.617 3.909 ( 0.589 3.963 0.425) 4.029 4.055 ( -0.132 2.202 -1.521) 2.680 4.128 ( -6.491 4.392 -0.761) 7.874 4.178 ( 0.164 -2.311 1.509) 2.765 4.274 ( -0.992 2.481 1.082) 2.883 4.301 ( -1.827 -1.394 -0.163) 2.304 4.432 ( -2.136 0.517 5.505) 5.927 4.496 ( -0.283 1.343 -3.418) 3.684 4.642 ( -1.125 3.383 -0.893) 3.675 4.682 ( -0.213 4.030 -4.402) 5.972 4.710 ( -1.542 -0.188 0.677) 1.695 4.763 ( 0.572 0.206 -2.631) 2.700 4.845 ( 1.877 -1.101 -1.410) 2.593 4.915 ( 0.121 -1.563 3.371) 3.717 4.954 ( 1.311 -2.751 -0.878) 3.172 5.084 ( 3.639 4.041 -2.141) 5.844 5.166 ( 1.668 3.628 -1.186) 4.166 5.393 ( -3.349 -2.405 7.193) 8.290 5.475 ( -1.252 -4.520 2.447) 5.290 5.565 ( -1.069 -2.448 -0.677) 2.756 5.609 ( -0.295 -1.043 -4.621) 4.746 5.702 ( 0.082 -2.375 2.224) 3.255 5.822 ( 1.950 -2.850 -7.129) 7.921 9.619 ( -0.213 -2.502 2.376) 3.457 9.690 ( 1.246 -3.977 -4.278) 5.972 9.836 ( -0.033 -0.140 0.822) 0.834 9.865 ( -0.657 -0.203 -0.491) 0.845 10.386 ( 0.469 2.989 1.267) 3.280 10.492 ( -2.291 0.003 0.768) 2.416 10.914 ( 1.474 -0.744 1.038) 1.950 11.154 ( 1.844 -8.344 -10.872) 13.828 12.303 ( -1.652 9.771 8.860) 13.293 12.446 ( -1.855 8.314 1.258) 8.611 13.080 ( -1.136 1.106 7.301) 7.471 13.208 ( 3.314 -1.547 -8.948) 9.666 ======================= Grid point 148 (80/88) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -8.014 4.551 8.071) 12.251 1.534 ( 4.629 8.675 5.051) 11.055 1.653 ( 3.774 6.968 1.569) 8.078 1.814 ( -2.047 0.577 -8.618) 8.877 1.991 ( 1.464 1.325 0.066) 1.975 2.049 ( -0.766 -1.827 -3.792) 4.278 2.132 ( -4.387 1.361 5.004) 6.792 2.238 ( 1.577 3.225 -5.046) 6.193 2.299 ( 2.865 -7.501 3.907) 8.930 2.396 ( -5.173 -6.280 -3.340) 8.796 2.605 ( 0.943 -5.571 5.313) 7.756 2.772 ( 1.660 -4.973 -7.537) 9.181 2.951 ( 0.021 3.418 0.611) 3.472 2.981 ( 2.667 0.922 -0.554) 2.876 3.193 ( 2.459 2.454 4.879) 5.990 3.231 ( -2.043 -2.943 2.077) 4.142 3.318 ( -5.783 -2.700 1.573) 6.573 3.339 ( 0.697 -1.505 0.112) 1.662 3.405 ( 1.088 -0.853 2.564) 2.913 3.498 ( 5.251 -1.934 -4.034) 6.898 3.594 ( -7.099 4.134 5.570) 9.925 3.669 ( 5.524 6.197 0.982) 8.360 3.713 ( -1.425 -2.169 1.739) 3.124 3.759 ( -2.702 2.392 0.301) 3.621 3.866 ( 7.043 -3.232 1.621) 7.917 3.925 ( 0.441 4.275 4.616) 6.307 3.958 ( -5.070 1.031 -6.430) 8.252 4.069 ( -1.240 2.898 -6.114) 6.879 4.193 ( 1.391 2.073 3.444) 4.254 4.246 ( 0.997 0.263 -0.633) 1.210 4.352 ( 3.866 -2.213 2.700) 5.209 4.375 ( -4.384 0.126 1.309) 4.577 4.497 ( -0.244 4.218 0.684) 4.280 4.591 ( -1.840 4.270 -4.952) 6.793 4.670 ( 0.594 0.140 0.376) 0.717 4.688 ( -1.862 2.498 -0.573) 3.168 4.804 ( 2.753 -3.457 0.297) 4.429 4.840 ( -1.268 -0.355 -3.768) 3.991 4.909 ( -1.444 -2.442 4.446) 5.274 4.981 ( 1.744 -1.235 -2.396) 3.211 5.142 ( 1.812 3.796 -0.416) 4.227 5.156 ( -1.800 4.114 -1.872) 4.865 5.384 ( -0.100 -3.063 6.698) 7.366 5.464 ( -0.787 -3.511 2.710) 4.505 5.549 ( 0.721 -2.573 -3.696) 4.561 5.605 ( 1.345 -1.578 -4.491) 4.946 5.717 ( 0.414 -2.104 2.154) 3.040 5.822 ( 0.683 -2.560 -6.748) 7.250 9.621 ( -0.436 -2.774 2.525) 3.776 9.695 ( 0.800 -4.158 -4.570) 6.229 9.842 ( 0.381 -0.000 0.555) 0.673 9.855 ( -0.061 -0.264 -0.674) 0.727 10.427 ( 3.227 1.894 1.052) 3.887 10.449 ( -1.809 1.559 -1.277) 2.708 10.944 ( 0.078 -2.811 5.375) 6.066 11.108 ( -2.150 -7.367 -11.073) 13.473 12.326 ( 0.589 9.491 8.816) 12.967 12.421 ( -0.807 8.706 -0.057) 8.744 13.065 ( -2.984 1.761 7.867) 8.596 13.240 ( 2.988 -1.861 -9.098) 9.756 ======================= Grid point 149 (81/88) ======================= q-point: (-0.33 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -6.434 5.938 11.698) 14.611 1.556 ( -2.631 8.030 -2.153) 8.720 1.722 ( -1.955 8.333 10.969) 13.914 1.779 ( 1.870 5.370 -10.486) 11.928 1.944 ( -0.488 -1.930 -6.417) 6.718 2.045 ( 0.758 -1.052 1.908) 2.307 2.143 ( 3.281 -1.909 3.881) 5.428 2.281 ( -2.180 -3.654 4.314) 6.059 2.313 ( 2.931 -3.570 -4.366) 6.356 2.405 ( 4.933 -4.017 0.844) 6.417 2.636 ( 0.949 -6.063 2.416) 6.596 2.805 ( 3.570 -6.963 -4.247) 8.903 2.949 ( 0.663 3.698 -3.639) 5.230 3.036 ( 2.392 0.271 -2.098) 3.193 3.098 ( -5.260 0.285 2.876) 6.002 3.145 ( -10.947 1.895 3.592) 11.676 3.298 ( 0.453 -2.248 0.409) 2.329 3.343 ( -0.793 -2.061 2.155) 3.085 3.395 ( -7.569 6.475 3.685) 10.621 3.454 ( -0.944 -0.571 4.436) 4.571 3.590 ( 1.655 -0.371 -5.528) 5.783 3.667 ( -3.711 2.810 2.760) 5.411 3.717 ( 1.358 -1.501 -1.341) 2.428 3.763 ( 1.519 2.711 0.899) 3.235 3.849 ( -3.497 0.309 -6.654) 7.524 3.937 ( 1.347 0.897 -2.161) 2.699 3.993 ( 2.471 2.332 4.238) 5.432 4.111 ( 7.128 -1.178 0.564) 7.247 4.213 ( -0.630 -2.646 -1.023) 2.906 4.279 ( -2.223 0.242 -0.004) 2.236 4.325 ( 4.001 0.951 -1.055) 4.246 4.430 ( 0.894 2.301 2.344) 3.404 4.497 ( 3.591 1.586 2.861) 4.858 4.586 ( 1.420 3.861 -0.246) 4.121 4.632 ( -3.345 2.700 0.544) 4.333 4.701 ( 1.490 0.404 1.391) 2.078 4.793 ( -1.562 -0.135 -2.562) 3.003 4.825 ( -1.296 0.571 -0.501) 1.502 4.899 ( -0.950 -2.651 2.553) 3.801 5.000 ( 1.178 -2.158 -2.734) 3.677 5.082 ( -4.155 5.893 -2.077) 7.504 5.157 ( -0.590 4.494 -0.402) 4.550 5.424 ( 2.142 -3.571 3.646) 5.535 5.464 ( -0.486 -2.571 4.267) 5.005 5.569 ( 2.808 -2.337 -5.246) 6.392 5.623 ( 1.028 -2.579 -0.497) 2.820 5.727 ( 0.462 -3.584 -1.355) 3.859 5.807 ( 0.265 -3.247 -6.476) 7.249 9.619 ( -0.633 -2.718 2.489) 3.740 9.689 ( 0.243 -3.768 -4.293) 5.717 9.852 ( 0.399 -0.414 0.441) 0.725 9.858 ( 0.679 -0.824 -1.227) 1.627 10.423 ( -0.087 3.031 -2.455) 3.901 10.509 ( 4.772 -0.130 -0.343) 4.787 10.926 ( -4.087 -3.442 4.000) 6.674 11.037 ( -1.753 -5.477 -4.090) 7.057 12.365 ( 0.346 9.992 6.910) 12.153 12.425 ( 1.511 8.443 -0.728) 8.607 13.028 ( -3.481 2.258 8.356) 9.330 13.252 ( 1.438 -2.445 -9.160) 9.589 ======================= Grid point 150 (82/88) ======================= q-point: (-0.17 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -2.780 7.853 14.727) 16.920 1.505 ( -0.925 10.796 -1.821) 10.988 1.630 ( -7.536 9.069 6.221) 13.332 1.766 ( 0.183 8.483 -10.042) 13.147 1.986 ( 4.212 -5.479 -4.670) 8.341 2.062 ( -0.804 -5.944 2.552) 6.518 2.232 ( 5.659 -1.220 1.153) 5.903 2.306 ( 1.323 -2.889 5.805) 6.618 2.353 ( 2.814 -7.564 -1.302) 8.175 2.485 ( 3.631 -2.922 0.343) 4.673 2.645 ( -0.507 -9.465 -0.429) 9.488 2.837 ( -1.218 -9.133 -4.415) 10.217 2.943 ( -9.474 7.553 7.119) 14.053 2.959 ( 1.708 7.710 0.214) 7.900 3.030 ( 1.254 -0.245 -3.155) 3.403 3.116 ( 2.048 1.370 0.296) 2.482 3.253 ( -6.423 5.459 4.494) 9.553 3.276 ( -1.760 -4.697 -0.089) 5.016 3.325 ( -2.083 -1.310 1.270) 2.769 3.471 ( -0.317 1.632 5.700) 5.938 3.511 ( -5.607 -2.378 -5.754) 8.379 3.651 ( 1.383 5.613 -5.308) 7.848 3.702 ( -2.934 1.546 4.620) 5.687 3.788 ( 1.017 1.463 -7.137) 7.356 3.836 ( 3.811 -0.245 1.821) 4.230 3.973 ( 2.937 0.514 -1.823) 3.495 4.024 ( 0.335 0.608 -0.342) 0.774 4.159 ( -4.751 -1.988 -1.807) 5.458 4.190 ( 0.438 -3.331 -1.572) 3.709 4.247 ( -0.509 -1.602 2.910) 3.360 4.421 ( 4.237 -2.991 1.303) 5.348 4.482 ( 4.792 4.023 0.308) 6.264 4.584 ( 1.479 0.017 -1.630) 2.201 4.603 ( 1.061 2.779 2.602) 3.952 4.638 ( 4.071 5.022 5.664) 8.595 4.717 ( -0.026 2.116 1.622) 2.666 4.757 ( -2.008 1.783 -2.430) 3.621 4.788 ( -1.419 -0.736 0.809) 1.791 4.872 ( -2.880 -0.580 1.726) 3.408 4.976 ( -2.491 3.529 -6.171) 7.532 5.034 ( 0.342 1.776 0.209) 1.820 5.130 ( -1.590 5.489 -2.182) 6.117 5.470 ( -0.559 -2.144 4.562) 5.072 5.478 ( 2.266 -3.208 2.164) 4.484 5.601 ( -0.039 -1.385 0.144) 1.393 5.630 ( 0.511 -4.955 1.001) 5.081 5.734 ( 1.955 -4.182 -6.483) 7.959 5.792 ( 0.110 -4.661 -5.941) 7.552 9.615 ( -0.591 -2.363 2.326) 3.368 9.679 ( 0.209 -3.349 -3.815) 5.081 9.855 ( -0.325 -0.413 1.100) 1.219 9.871 ( 1.137 -1.815 -2.070) 2.979 10.434 ( 2.116 3.437 -2.237) 4.615 10.562 ( -0.386 -1.083 -2.276) 2.550 10.880 ( 0.883 -2.104 1.212) 2.584 10.996 ( -2.815 -4.891 1.519) 5.844 12.387 ( -0.298 10.801 5.962) 12.341 12.457 ( 1.609 7.909 -1.077) 8.142 13.002 ( -1.937 2.125 8.637) 9.104 13.234 ( -0.021 -2.830 -9.201) 9.627 ======================= Grid point 151 (83/88) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 1.131 11.247 11.442) 16.084 1.668 ( -4.089 3.327 5.096) 7.332 1.764 ( 2.627 7.935 -0.455) 8.371 1.854 ( 1.997 -2.488 2.497) 4.051 1.879 ( 0.006 1.447 -8.965) 9.081 1.963 ( -1.612 -4.434 -6.896) 8.356 2.231 ( 0.423 -0.673 1.959) 2.114 2.297 ( 1.725 -3.184 -0.906) 3.733 2.303 ( 1.071 -1.704 3.000) 3.613 2.366 ( -2.266 -8.715 -2.844) 9.444 2.550 ( 4.144 -1.880 -1.427) 4.769 2.591 ( -1.757 -5.374 -5.468) 7.866 2.989 ( -2.360 4.326 6.148) 7.879 3.051 ( 1.427 -2.474 5.082) 5.829 3.081 ( -0.336 2.325 -2.435) 3.383 3.126 ( -3.064 -2.303 -1.297) 4.046 3.271 ( -2.812 4.680 2.325) 5.934 3.308 ( 3.680 3.327 -0.472) 4.984 3.317 ( 2.235 0.255 -0.167) 2.255 3.358 ( -1.720 -1.057 -3.449) 3.996 3.549 ( -2.377 6.062 11.084) 12.855 3.659 ( -2.475 -2.642 8.678) 9.403 3.766 ( 0.348 3.998 -5.404) 6.732 3.815 ( 0.382 -1.059 -4.849) 4.978 3.933 ( 1.648 0.710 3.747) 4.154 3.943 ( -2.139 -0.742 2.277) 3.211 4.050 ( -3.118 3.922 -2.964) 5.821 4.114 ( 5.294 -0.025 -8.786) 10.258 4.129 ( -3.030 -3.220 -0.342) 4.435 4.146 ( 4.896 -4.467 -1.286) 6.751 4.403 ( -0.056 -2.182 1.314) 2.548 4.440 ( -0.750 -4.864 -1.556) 5.161 4.656 ( -0.381 1.028 1.749) 2.064 4.670 ( 2.162 0.100 0.260) 2.180 4.732 ( 0.053 0.948 1.748) 1.990 4.750 ( -0.552 -0.750 0.165) 0.946 4.809 ( -1.386 4.782 2.539) 5.589 4.816 ( 2.671 2.939 1.628) 4.292 4.862 ( -0.998 2.017 2.739) 3.545 4.925 ( -2.428 -2.489 -2.273) 4.154 5.155 ( 0.979 4.547 -0.160) 4.654 5.180 ( -1.278 2.407 -2.724) 3.853 5.438 ( -1.345 -0.520 4.826) 5.037 5.466 ( -1.378 -3.432 4.188) 5.587 5.531 ( 0.412 2.472 1.360) 2.852 5.596 ( 2.288 -3.212 -4.653) 6.099 5.674 ( -0.518 -3.025 -5.882) 6.634 5.678 ( 2.004 -3.251 -6.320) 7.384 9.600 ( 0.076 0.480 -0.287) 0.565 9.624 ( 0.426 -1.876 -2.569) 3.210 9.836 ( -0.325 -0.279 0.348) 0.552 9.847 ( 0.470 -1.456 -0.847) 1.749 10.521 ( -0.579 1.728 -0.783) 1.983 10.527 ( -1.224 1.243 -1.417) 2.248 10.884 ( 0.017 -1.668 -0.507) 1.744 10.894 ( 3.946 -2.768 -1.176) 4.961 12.555 ( -2.788 6.462 7.034) 9.951 12.596 ( -0.583 2.663 3.664) 4.567 13.052 ( 0.662 2.655 1.009) 2.917 13.127 ( 0.472 -4.472 -5.608) 7.188 ======================= Grid point 152 (84/88) ======================= q-point: ( 0.17 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.454 8.638 7.467) 11.427 1.626 ( -0.901 6.308 8.790) 10.857 1.748 ( -0.744 6.044 -10.718) 12.327 1.833 ( -3.545 0.544 0.188) 3.592 1.927 ( 1.779 -3.416 0.276) 3.862 1.945 ( 3.085 -7.006 -2.095) 7.936 2.255 ( 1.140 2.975 0.448) 3.217 2.283 ( -2.774 -0.551 -3.679) 4.641 2.328 ( 1.405 -3.574 -1.516) 4.128 2.345 ( 1.137 -3.927 0.692) 4.147 2.545 ( -1.462 -0.812 -4.539) 4.837 2.634 ( 3.893 -9.921 -3.159) 11.116 2.964 ( -1.810 5.311 6.943) 8.926 3.044 ( -1.486 -1.380 2.344) 3.100 3.066 ( -0.938 1.946 -0.246) 2.175 3.104 ( 1.332 -3.526 2.753) 4.668 3.238 ( -0.921 6.797 -0.324) 6.866 3.334 ( 2.177 -1.107 -2.217) 3.299 3.380 ( 2.117 -0.771 0.781) 2.385 3.395 ( 2.159 -1.929 -1.439) 3.233 3.564 ( 1.020 7.596 11.018) 13.422 3.644 ( -1.365 -0.401 8.194) 8.317 3.755 ( 0.058 1.902 -4.362) 4.759 3.781 ( -2.550 -2.131 -1.478) 3.637 3.925 ( -1.294 2.624 -0.341) 2.946 3.949 ( -0.588 2.720 2.177) 3.534 4.021 ( 2.058 -0.902 -0.884) 2.414 4.071 ( -1.259 -5.095 -0.543) 5.276 4.210 ( 5.285 0.438 -7.418) 9.118 4.235 ( 3.767 -3.026 -2.580) 5.477 4.384 ( -1.803 -0.409 -0.304) 1.873 4.414 ( -1.158 -1.652 2.237) 3.012 4.616 ( -2.445 5.207 -0.249) 5.758 4.711 ( -0.710 -0.800 0.498) 1.180 4.734 ( -1.516 1.303 1.247) 2.356 4.753 ( 1.870 -1.415 0.075) 2.346 4.784 ( -1.155 1.354 0.716) 1.918 4.828 ( -0.838 3.919 -0.130) 4.009 4.864 ( -2.989 -3.875 0.662) 4.939 4.878 ( 0.345 -0.626 3.322) 3.398 5.149 ( 0.021 4.323 -2.313) 4.903 5.185 ( 1.414 1.084 0.509) 1.853 5.417 ( -2.510 -0.639 3.531) 4.379 5.429 ( -2.389 -2.005 3.719) 4.854 5.560 ( 0.696 1.552 -0.696) 1.838 5.601 ( -0.445 -2.441 -2.566) 3.570 5.656 ( 1.134 -0.387 -4.352) 4.514 5.712 ( 3.615 -4.611 -6.832) 9.000 9.598 ( -0.090 0.366 -0.323) 0.496 9.624 ( 0.475 -2.127 -2.621) 3.409 9.833 ( -0.025 0.235 0.183) 0.299 9.852 ( 0.225 -1.493 -0.742) 1.683 10.472 ( -2.429 3.108 0.390) 3.964 10.511 ( -1.470 -0.830 0.469) 1.752 10.902 ( 2.003 1.492 -2.678) 3.662 10.971 ( 4.302 -5.543 -4.572) 8.374 12.511 ( -3.898 7.370 7.977) 11.539 12.578 ( -2.641 1.243 5.165) 5.933 13.080 ( 1.774 1.903 0.462) 2.643 13.135 ( 2.141 -3.200 -5.372) 6.610 ======================= Grid point 153 (85/88) ======================= q-point: ( 0.33 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.148 8.443 5.502) 10.078 1.670 ( -0.606 6.355 6.076) 8.813 1.708 ( 0.173 1.271 -9.307) 9.395 1.773 ( -0.365 -2.529 1.663) 3.048 1.959 ( 1.748 -1.777 1.255) 2.791 2.003 ( 1.875 -7.178 3.925) 8.393 2.182 ( -4.959 5.164 -7.008) 10.019 2.261 ( -1.127 2.177 -2.397) 3.429 2.338 ( 0.450 -2.486 -0.513) 2.578 2.378 ( 0.167 -3.369 0.132) 3.376 2.497 ( -1.394 2.149 -1.529) 2.983 2.646 ( -0.275 -10.138 -5.406) 11.493 2.987 ( 1.520 4.407 5.429) 7.156 3.072 ( 0.879 1.171 1.669) 2.220 3.082 ( 3.135 1.506 2.593) 4.338 3.144 ( 2.269 -2.517 1.573) 3.736 3.270 ( 5.757 1.850 -3.614) 7.045 3.352 ( 0.649 -3.580 -5.634) 6.707 3.374 ( -3.520 -1.550 5.364) 6.600 3.379 ( -2.986 -1.916 2.608) 4.404 3.663 ( 4.290 3.121 4.580) 7.009 3.681 ( 2.254 0.628 3.374) 4.105 3.731 ( -1.940 0.802 2.290) 3.107 3.739 ( 0.042 0.238 -0.471) 0.530 3.881 ( -1.731 6.485 -0.432) 6.726 3.976 ( 1.863 3.114 -0.183) 3.633 4.058 ( 0.374 -3.538 0.855) 3.659 4.068 ( 0.048 -6.137 1.103) 6.236 4.230 ( 0.103 3.294 -3.135) 4.548 4.266 ( 1.626 -0.931 -2.089) 2.806 4.349 ( -2.669 4.071 -0.287) 4.877 4.418 ( -1.292 -2.569 1.949) 3.474 4.569 ( -1.114 6.721 0.638) 6.843 4.675 ( -0.567 -1.261 0.141) 1.390 4.710 ( -1.950 1.376 1.930) 3.070 4.753 ( -3.630 1.417 1.016) 4.027 4.765 ( -2.807 -0.229 1.225) 3.071 4.807 ( 1.671 -2.463 -1.336) 3.263 4.854 ( -0.112 -2.867 0.848) 2.992 4.885 ( 1.665 -2.895 -1.972) 3.878 5.167 ( 2.132 3.875 -1.316) 4.614 5.212 ( 1.143 -0.062 -0.411) 1.216 5.380 ( -2.137 0.637 3.247) 3.939 5.407 ( -1.011 -2.281 1.178) 2.760 5.545 ( -1.228 0.630 -0.516) 1.473 5.579 ( -0.694 -2.192 -2.014) 3.056 5.685 ( 2.357 1.617 -2.890) 4.065 5.751 ( 2.522 -4.127 -6.394) 8.017 9.596 ( -0.049 0.192 -0.305) 0.363 9.624 ( 0.505 -2.555 -2.900) 3.898 9.836 ( 0.277 0.349 0.015) 0.446 9.850 ( -0.111 -0.990 -0.477) 1.105 10.446 ( -0.415 2.796 0.844) 2.950 10.484 ( -1.295 -1.043 0.545) 1.750 10.924 ( 0.981 2.151 -2.274) 3.280 11.006 ( 1.224 -6.205 -6.322) 8.943 12.480 ( -2.130 7.205 8.698) 11.494 12.546 ( -2.254 1.034 5.479) 6.014 13.109 ( 0.778 2.133 0.518) 2.329 13.162 ( 2.448 -2.948 -5.499) 6.702 ======================= Grid point 154 (86/88) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -5.638 7.181 5.419) 10.617 1.691 ( 1.338 -1.357 -5.905) 6.204 1.725 ( 2.788 5.906 6.946) 9.534 1.810 ( 2.157 0.288 -0.974) 2.384 1.997 ( 1.624 -1.993 -0.850) 2.708 2.009 ( -3.225 -3.115 0.328) 4.496 2.113 ( 0.446 1.456 1.906) 2.439 2.195 ( -2.974 -4.539 -2.496) 5.973 2.345 ( -0.155 2.776 -0.100) 2.782 2.363 ( 0.456 5.371 -1.264) 5.537 2.500 ( 0.305 -2.578 2.076) 3.324 2.619 ( 0.224 -9.687 -7.753) 12.410 3.038 ( 2.052 4.651 2.979) 5.893 3.057 ( -1.115 6.928 0.449) 7.031 3.140 ( -0.651 -5.021 4.457) 6.746 3.196 ( 1.116 -5.242 0.146) 5.361 3.282 ( -5.314 -0.437 3.237) 6.238 3.299 ( -4.107 -1.965 1.595) 4.824 3.372 ( 5.924 1.849 -3.949) 7.355 3.446 ( 9.015 -3.849 -9.001) 13.308 3.654 ( -3.246 0.962 2.412) 4.157 3.677 ( -2.411 -1.430 0.600) 2.866 3.751 ( 0.951 2.850 4.285) 5.234 3.793 ( 1.245 -1.664 0.365) 2.110 3.911 ( 4.898 8.785 3.589) 10.679 3.978 ( -2.098 3.168 -2.010) 4.299 4.019 ( -3.859 0.709 2.805) 4.823 4.058 ( -0.343 -4.616 0.368) 4.643 4.246 ( -3.768 2.454 3.266) 5.557 4.284 ( 2.303 4.746 -0.717) 5.324 4.297 ( -2.925 -2.492 3.412) 5.139 4.369 ( 1.991 -2.302 -3.628) 4.736 4.596 ( 0.443 5.423 3.504) 6.472 4.664 ( -2.176 3.051 -2.556) 4.537 4.678 ( -2.785 -0.213 5.316) 6.006 4.705 ( 0.886 -0.044 1.062) 1.384 4.743 ( 0.947 -1.693 0.521) 2.009 4.808 ( -1.504 -6.610 3.089) 7.450 4.858 ( 1.831 2.308 -5.709) 6.424 4.929 ( 2.982 -3.850 -4.836) 6.863 5.201 ( 1.424 2.031 -0.339) 2.503 5.214 ( -0.692 1.074 -1.754) 2.170 5.366 ( -0.264 0.922 2.446) 2.628 5.401 ( 0.094 -2.553 0.539) 2.611 5.529 ( -0.077 0.845 -0.341) 0.914 5.568 ( 0.080 -2.346 -1.124) 2.602 5.706 ( 0.699 1.363 -2.776) 3.171 5.760 ( 0.672 -3.496 -6.014) 6.988 9.595 ( 0.010 0.114 -0.239) 0.265 9.624 ( 0.573 -2.766 -3.111) 4.202 9.841 ( 0.176 0.013 0.045) 0.182 9.846 ( -0.122 -0.460 -0.413) 0.630 10.461 ( 1.611 1.354 0.405) 2.143 10.471 ( -0.075 0.406 -0.609) 0.736 10.922 ( -0.877 0.837 0.427) 1.286 10.981 ( -1.351 -5.123 -5.466) 7.613 12.489 ( -0.048 6.207 8.246) 10.321 12.535 ( -0.686 2.036 4.390) 4.887 13.110 ( -0.859 3.089 0.841) 3.314 13.182 ( 1.487 -3.825 -5.680) 7.007 ======================= Grid point 155 (87/88) ======================= q-point: (-0.33 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -3.528 10.198 8.533) 13.757 1.701 ( 1.041 -7.515 -0.730) 7.621 1.727 ( -2.222 6.946 -0.613) 7.318 1.872 ( 0.395 -5.236 -5.012) 7.259 1.927 ( -0.531 7.891 2.944) 8.439 2.017 ( -0.024 -1.164 -0.523) 1.276 2.149 ( 2.227 0.580 0.422) 2.340 2.199 ( 1.885 -4.350 4.138) 6.293 2.316 ( -1.909 4.377 -1.373) 4.969 2.410 ( 3.775 1.883 -1.109) 4.362 2.493 ( -1.867 -4.680 2.222) 5.507 2.616 ( 2.135 -10.334 -6.462) 12.374 3.041 ( -0.857 4.943 1.638) 5.278 3.063 ( -1.932 1.631 1.501) 2.940 3.093 ( -3.279 0.148 -0.411) 3.308 3.167 ( -2.066 -3.196 3.564) 5.214 3.220 ( -0.758 -0.343 -3.448) 3.547 3.282 ( 1.015 -3.841 1.521) 4.254 3.453 ( 0.766 2.825 -4.727) 5.560 3.520 ( 0.283 -2.024 -5.296) 5.676 3.589 ( -4.321 4.174 7.354) 9.496 3.661 ( 0.564 -2.931 2.659) 3.998 3.761 ( 0.395 4.134 0.110) 4.154 3.806 ( 0.303 -0.622 -1.552) 1.699 3.901 ( -2.167 6.145 -3.447) 7.372 3.971 ( 0.976 2.377 0.263) 2.583 4.018 ( -1.493 0.329 3.518) 3.836 4.066 ( 1.498 -4.639 2.276) 5.381 4.172 ( -3.154 0.158 1.391) 3.451 4.232 ( -1.137 -5.317 2.158) 5.850 4.347 ( 1.935 4.702 -0.530) 5.112 4.448 ( 3.103 -4.530 -0.585) 5.522 4.567 ( -1.300 6.961 0.982) 7.149 4.634 ( -0.516 0.467 3.995) 4.055 4.680 ( 0.098 1.514 4.376) 4.631 4.729 ( 0.586 1.551 1.051) 1.963 4.769 ( 1.375 -2.574 0.186) 2.924 4.820 ( 1.535 -3.339 2.877) 4.667 4.870 ( 0.978 3.944 -6.002) 7.249 4.950 ( 1.215 -3.314 -4.046) 5.369 5.179 ( -1.756 3.677 -2.793) 4.940 5.216 ( 0.399 0.417 -0.950) 1.111 5.386 ( 1.578 0.005 1.637) 2.273 5.413 ( 0.709 -2.350 1.718) 2.996 5.539 ( 1.229 0.036 -1.248) 1.752 5.571 ( 0.039 -2.625 0.819) 2.750 5.694 ( -0.561 0.576 -3.846) 3.929 5.739 ( -0.600 -3.407 -6.118) 7.028 9.595 ( 0.123 0.254 -0.257) 0.382 9.625 ( 0.579 -2.603 -3.007) 4.019 9.840 ( -0.051 -0.235 -0.240) 0.339 9.845 ( -0.034 -0.628 -0.076) 0.634 10.477 ( 1.198 2.256 -2.023) 3.258 10.505 ( 2.841 -0.602 -1.106) 3.108 10.893 ( -2.572 0.258 1.977) 3.255 10.938 ( -1.700 -4.112 -1.431) 4.674 12.524 ( 0.779 5.346 7.078) 8.904 12.548 ( 0.757 3.108 2.976) 4.369 13.086 ( -1.890 3.917 1.140) 4.496 13.177 ( 0.056 -4.883 -5.653) 7.470 ======================= Grid point 156 (88/88) ======================= q-point: (-0.17 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.641 11.881 11.120) 16.286 1.706 ( -0.107 6.436 1.945) 6.724 1.719 ( 0.456 -4.748 0.406) 4.787 1.815 ( -0.711 -1.776 -0.792) 2.071 1.943 ( -0.926 4.944 -8.186) 9.608 2.001 ( -1.035 -1.389 0.058) 1.733 2.206 ( 2.654 -1.419 1.075) 3.196 2.248 ( 2.061 -3.481 3.546) 5.379 2.285 ( -0.382 2.657 -0.541) 2.739 2.424 ( -2.618 -10.514 -1.021) 10.883 2.494 ( 2.421 3.458 -0.514) 4.252 2.633 ( 0.346 -9.735 -4.747) 10.836 3.010 ( -1.829 2.022 3.746) 4.633 3.023 ( -1.697 0.357 2.057) 2.690 3.073 ( 1.704 2.614 -2.424) 3.951 3.163 ( -0.629 -5.883 -0.880) 5.981 3.233 ( 3.206 6.526 -1.520) 7.428 3.302 ( 0.265 -1.498 0.633) 1.648 3.360 ( -6.959 4.799 2.482) 8.811 3.453 ( -4.932 -4.002 -3.739) 7.370 3.561 ( -2.572 7.143 9.953) 12.518 3.673 ( -1.513 -3.715 6.767) 7.866 3.773 ( 0.998 4.875 -4.948) 7.017 3.807 ( 1.906 0.535 -6.113) 6.426 3.896 ( 1.230 4.863 0.485) 5.039 3.983 ( -2.497 -1.108 2.596) 3.768 4.014 ( 3.898 -0.138 -2.869) 4.842 4.076 ( 1.516 -6.240 -0.201) 6.425 4.145 ( -2.456 1.453 -1.680) 3.312 4.206 ( -3.145 -3.629 0.489) 4.827 4.378 ( 2.020 0.507 0.318) 2.107 4.453 ( -0.475 -6.310 -1.884) 6.603 4.592 ( 2.902 4.586 1.576) 5.652 4.664 ( 0.508 -0.854 4.107) 4.226 4.723 ( 0.777 1.822 4.774) 5.168 4.733 ( 2.244 -0.392 1.962) 3.007 4.784 ( -0.631 2.945 -0.637) 3.079 4.839 ( -1.975 1.425 -0.516) 2.490 4.857 ( 0.987 2.879 0.888) 3.170 4.957 ( 0.206 -3.654 -3.097) 4.794 5.147 ( -0.158 6.142 -2.543) 6.650 5.209 ( -0.631 0.904 -2.084) 2.358 5.429 ( 1.450 -1.161 3.251) 3.744 5.436 ( 1.259 -1.394 2.240) 2.923 5.555 ( -1.502 -1.548 3.446) 4.065 5.567 ( 1.232 -1.894 -2.893) 3.671 5.675 ( 0.615 -1.056 -6.060) 6.182 5.705 ( -0.585 -3.671 -6.442) 7.438 9.597 ( 0.235 0.453 -0.297) 0.591 9.625 ( 0.455 -2.147 -2.733) 3.506 9.841 ( -0.041 -0.665 0.017) 0.666 9.843 ( 0.017 -0.870 -0.367) 0.944 10.501 ( 1.976 3.100 -2.461) 4.424 10.544 ( 1.314 -1.260 -2.390) 3.004 10.859 ( -0.730 0.448 1.674) 1.880 10.904 ( -1.834 -3.955 1.155) 4.510 12.557 ( 0.002 5.497 6.472) 8.491 12.578 ( 1.073 3.384 2.657) 4.434 13.056 ( -1.396 3.786 1.266) 4.229 13.151 ( -0.663 -5.272 -5.602) 7.721 =================== 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 3/17640 10.0 705.768 665.691 520.586 0.000 -156.301 0.000 3/17640 20.0 103.410 144.449 93.141 0.000 -25.305 0.000 3/17640 30.0 36.705 57.331 36.756 0.000 -9.270 0.000 3/17640 40.0 19.523 31.613 20.695 0.000 -4.936 0.000 3/17640 50.0 12.861 21.082 14.100 0.000 -3.225 0.000 3/17640 60.0 9.557 15.719 10.705 0.000 -2.375 0.000 3/17640 70.0 7.632 12.550 8.674 0.000 -1.883 0.000 3/17640 80.0 6.379 10.473 7.326 0.000 -1.564 0.000 3/17640 90.0 5.497 9.008 6.364 0.000 -1.341 0.000 3/17640 100.0 4.841 7.917 5.639 0.000 -1.175 0.000 3/17640 110.0 4.332 7.071 5.072 0.000 -1.048 0.000 3/17640 120.0 3.924 6.395 4.615 0.000 -0.946 0.000 3/17640 130.0 3.590 5.842 4.238 0.000 -0.863 0.000 3/17640 140.0 3.310 5.380 3.921 0.000 -0.793 0.000 3/17640 150.0 3.072 4.989 3.650 0.000 -0.734 0.000 3/17640 160.0 2.868 4.652 3.415 0.000 -0.684 0.000 3/17640 170.0 2.689 4.360 3.210 0.000 -0.640 0.000 3/17640 180.0 2.533 4.103 3.029 0.000 -0.602 0.000 3/17640 190.0 2.394 3.875 2.868 0.000 -0.568 0.000 3/17640 200.0 2.269 3.672 2.724 0.000 -0.537 0.000 3/17640 210.0 2.158 3.490 2.594 0.000 -0.510 0.000 3/17640 220.0 2.057 3.325 2.476 0.000 -0.486 0.000 3/17640 230.0 1.965 3.176 2.368 0.000 -0.464 0.000 3/17640 240.0 1.882 3.040 2.270 0.000 -0.443 0.000 3/17640 250.0 1.805 2.915 2.179 0.000 -0.425 0.000 3/17640 260.0 1.734 2.800 2.096 0.000 -0.408 0.000 3/17640 270.0 1.669 2.694 2.019 0.000 -0.392 0.000 3/17640 280.0 1.609 2.596 1.947 0.000 -0.378 0.000 3/17640 290.0 1.553 2.505 1.881 0.000 -0.365 0.000 3/17640 300.0 1.500 2.420 1.819 0.000 -0.352 0.000 3/17640 310.0 1.451 2.341 1.760 0.000 -0.340 0.000 3/17640 320.0 1.406 2.267 1.706 0.000 -0.329 0.000 3/17640 330.0 1.363 2.197 1.655 0.000 -0.319 0.000 3/17640 340.0 1.323 2.132 1.607 0.000 -0.310 0.000 3/17640 350.0 1.285 2.071 1.561 0.000 -0.301 0.000 3/17640 360.0 1.249 2.013 1.518 0.000 -0.292 0.000 3/17640 370.0 1.215 1.958 1.478 0.000 -0.284 0.000 3/17640 380.0 1.183 1.906 1.439 0.000 -0.277 0.000 3/17640 390.0 1.152 1.857 1.402 0.000 -0.269 0.000 3/17640 400.0 1.123 1.810 1.368 0.000 -0.263 0.000 3/17640 410.0 1.096 1.766 1.335 0.000 -0.256 0.000 3/17640 420.0 1.070 1.723 1.303 0.000 -0.250 0.000 3/17640 430.0 1.045 1.683 1.273 0.000 -0.244 0.000 3/17640 440.0 1.021 1.645 1.245 0.000 -0.238 0.000 3/17640 450.0 0.999 1.608 1.217 0.000 -0.233 0.000 3/17640 460.0 0.977 1.573 1.191 0.000 -0.228 0.000 3/17640 470.0 0.956 1.540 1.166 0.000 -0.223 0.000 3/17640 480.0 0.936 1.507 1.142 0.000 -0.218 0.000 3/17640 490.0 0.917 1.477 1.119 0.000 -0.214 0.000 3/17640 500.0 0.899 1.447 1.097 0.000 -0.210 0.000 3/17640 510.0 0.881 1.419 1.075 0.000 -0.206 0.000 3/17640 520.0 0.864 1.391 1.055 0.000 -0.202 0.000 3/17640 530.0 0.848 1.365 1.035 0.000 -0.198 0.000 3/17640 540.0 0.832 1.340 1.016 0.000 -0.194 0.000 3/17640 550.0 0.817 1.315 0.998 0.000 -0.190 0.000 3/17640 560.0 0.803 1.292 0.980 0.000 -0.187 0.000 3/17640 570.0 0.789 1.269 0.963 0.000 -0.184 0.000 3/17640 580.0 0.775 1.247 0.947 0.000 -0.181 0.000 3/17640 590.0 0.762 1.226 0.931 0.000 -0.178 0.000 3/17640 600.0 0.749 1.206 0.915 0.000 -0.175 0.000 3/17640 610.0 0.737 1.186 0.900 0.000 -0.172 0.000 3/17640 620.0 0.725 1.167 0.886 0.000 -0.169 0.000 3/17640 630.0 0.714 1.148 0.872 0.000 -0.166 0.000 3/17640 640.0 0.703 1.130 0.859 0.000 -0.164 0.000 3/17640 650.0 0.692 1.113 0.845 0.000 -0.161 0.000 3/17640 660.0 0.681 1.096 0.833 0.000 -0.159 0.000 3/17640 670.0 0.671 1.080 0.820 0.000 -0.156 0.000 3/17640 680.0 0.661 1.064 0.808 0.000 -0.154 0.000 3/17640 690.0 0.652 1.049 0.797 0.000 -0.152 0.000 3/17640 700.0 0.643 1.034 0.786 0.000 -0.150 0.000 3/17640 710.0 0.634 1.019 0.775 0.000 -0.147 0.000 3/17640 720.0 0.625 1.005 0.764 0.000 -0.145 0.000 3/17640 730.0 0.616 0.991 0.753 0.000 -0.143 0.000 3/17640 740.0 0.608 0.978 0.743 0.000 -0.142 0.000 3/17640 750.0 0.600 0.965 0.734 0.000 -0.140 0.000 3/17640 760.0 0.592 0.952 0.724 0.000 -0.138 0.000 3/17640 770.0 0.584 0.940 0.715 0.000 -0.136 0.000 3/17640 780.0 0.577 0.928 0.706 0.000 -0.134 0.000 3/17640 790.0 0.570 0.916 0.697 0.000 -0.133 0.000 3/17640 800.0 0.563 0.905 0.688 0.000 -0.131 0.000 3/17640 810.0 0.556 0.893 0.680 0.000 -0.129 0.000 3/17640 820.0 0.549 0.883 0.671 0.000 -0.128 0.000 3/17640 830.0 0.542 0.872 0.663 0.000 -0.126 0.000 3/17640 840.0 0.536 0.862 0.655 0.000 -0.125 0.000 3/17640 850.0 0.530 0.851 0.648 0.000 -0.123 0.000 3/17640 860.0 0.523 0.842 0.640 0.000 -0.122 0.000 3/17640 870.0 0.517 0.832 0.633 0.000 -0.120 0.000 3/17640 880.0 0.512 0.823 0.626 0.000 -0.119 0.000 3/17640 890.0 0.506 0.813 0.619 0.000 -0.118 0.000 3/17640 900.0 0.500 0.804 0.612 0.000 -0.116 0.000 3/17640 910.0 0.495 0.795 0.605 0.000 -0.115 0.000 3/17640 920.0 0.489 0.787 0.599 0.000 -0.114 0.000 3/17640 930.0 0.484 0.778 0.592 0.000 -0.113 0.000 3/17640 940.0 0.479 0.770 0.586 0.000 -0.111 0.000 3/17640 950.0 0.474 0.762 0.580 0.000 -0.110 0.000 3/17640 960.0 0.469 0.754 0.574 0.000 -0.109 0.000 3/17640 970.0 0.464 0.746 0.568 0.000 -0.108 0.000 3/17640 980.0 0.460 0.739 0.562 0.000 -0.107 0.000 3/17640 990.0 0.455 0.731 0.557 0.000 -0.106 0.000 3/17640 1000.0 0.450 0.724 0.551 0.000 -0.105 0.000 3/17640 Thermal conductivity related properties were written into "kappa-m677.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:49:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|