----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:39:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.030455440028023 0.000000000000000 0.000000000000000 b 0.000000000000000 3.951068269999999 0.000000000000000 c -2.609809610197862 0.000000000000000 17.116419889118227 Atomic positions (fractional): *1 S 0.13260720673337 0.25000000000000 0.96757868002847 32.065 2 S 0.86739279326663 0.75000000000000 0.03242131997153 32.065 *3 S 0.17983271798433 0.25000000000000 0.31695435128526 32.065 4 S 0.82016728201567 0.75000000000000 0.68304564871474 32.065 *5 S 0.54739829756076 0.25000000000000 0.57605475934174 32.065 6 S 0.45260170243924 0.75000000000000 0.42394524065826 32.065 *7 S 0.78784975800759 0.25000000000000 0.87035704186596 32.065 8 S 0.21215024199241 0.75000000000000 0.12964295813404 32.065 *9 S 0.49379477521434 0.25000000000000 0.23194382962456 32.065 10 S 0.50620522478566 0.75000000000000 0.76805617037544 32.065 *11 S 0.86429123804861 0.25000000000000 0.21931769476960 32.065 12 S 0.13570876195139 0.75000000000000 0.78068230523040 32.065 *13 S 0.55348905391258 0.75000000000000 0.07512828120488 32.065 14 S 0.44651094608742 0.25000000000000 0.92487171879512 32.065 *15 S 0.76633872597262 0.75000000000000 0.37383863123067 32.065 16 S 0.23366127402738 0.25000000000000 0.62616136876933 32.065 *17 S 0.11428338867782 0.75000000000000 0.46627271672479 32.065 18 S 0.88571661132218 0.25000000000000 0.53372728327521 32.065 *19 Ho 0.95037354487001 0.25000000000000 0.38490570916516 164.930 20 Ho 0.04962645512999 0.75000000000000 0.61509429083484 164.930 *21 Ho 0.01532703391895 0.25000000000000 0.10180914516663 164.930 22 Ho 0.98467296608105 0.75000000000000 0.89819085483337 164.930 *23 Ho 0.31147593783256 0.25000000000000 0.77937364993011 164.930 24 Ho 0.68852406216744 0.75000000000000 0.22062635006989 164.930 *25 Ho 0.66927403139517 0.25000000000000 0.71913854994170 164.930 26 Ho 0.33072596860483 0.75000000000000 0.28086145005830 164.930 *27 Ho 0.37578694154413 0.25000000000000 0.06981033162191 164.930 28 Ho 0.62421305845587 0.75000000000000 0.93018966837809 164.930 *29 Ho 0.31049844176359 0.25000000000000 0.47866178574578 164.930 30 Ho 0.68950155823641 0.75000000000000 0.52133821425422 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.030455440028023 0.000000000000000 0.000000000000000 b 0.000000000000000 3.951068269999999 0.000000000000000 c -2.609809610197862 0.000000000000000 17.116419889118227 Atomic positions (fractional): *1 S 0.13260720673337 0.25000000000000 0.96757868002847 32.065 > 1 2 S 0.86739279326663 0.75000000000000 0.03242131997153 32.065 > 2 *3 S 0.17983271798433 0.25000000000000 0.31695435128526 32.065 > 3 4 S 0.82016728201567 0.75000000000000 0.68304564871474 32.065 > 4 *5 S 0.54739829756076 0.25000000000000 0.57605475934174 32.065 > 5 6 S 0.45260170243924 0.75000000000000 0.42394524065826 32.065 > 6 *7 S 0.78784975800759 0.25000000000000 0.87035704186596 32.065 > 7 8 S 0.21215024199241 0.75000000000000 0.12964295813404 32.065 > 8 *9 S 0.49379477521434 0.25000000000000 0.23194382962456 32.065 > 9 10 S 0.50620522478566 0.75000000000000 0.76805617037544 32.065 > 10 *11 S 0.86429123804861 0.25000000000000 0.21931769476960 32.065 > 11 12 S 0.13570876195139 0.75000000000000 0.78068230523040 32.065 > 12 *13 S 0.55348905391258 0.75000000000000 0.07512828120488 32.065 > 13 14 S 0.44651094608742 0.25000000000000 0.92487171879512 32.065 > 14 *15 S 0.76633872597262 0.75000000000000 0.37383863123067 32.065 > 15 16 S 0.23366127402738 0.25000000000000 0.62616136876933 32.065 > 16 *17 S 0.11428338867782 0.75000000000000 0.46627271672479 32.065 > 17 18 S 0.88571661132218 0.25000000000000 0.53372728327521 32.065 > 18 *19 Ho 0.95037354487001 0.25000000000000 0.38490570916516 164.930 > 19 20 Ho 0.04962645512999 0.75000000000000 0.61509429083484 164.930 > 20 *21 Ho 0.01532703391895 0.25000000000000 0.10180914516663 164.930 > 21 22 Ho 0.98467296608105 0.75000000000000 0.89819085483337 164.930 > 22 *23 Ho 0.31147593783256 0.25000000000000 0.77937364993011 164.930 > 23 24 Ho 0.68852406216744 0.75000000000000 0.22062635006989 164.930 > 24 *25 Ho 0.66927403139517 0.25000000000000 0.71913854994170 164.930 > 25 26 Ho 0.33072596860483 0.75000000000000 0.28086145005830 164.930 > 26 *27 Ho 0.37578694154413 0.25000000000000 0.06981033162191 164.930 > 27 28 Ho 0.62421305845587 0.75000000000000 0.93018966837809 164.930 > 28 *29 Ho 0.31049844176359 0.25000000000000 0.47866178574578 164.930 > 29 30 Ho 0.68950155823641 0.75000000000000 0.52133821425422 164.930 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.030455440028023 0.000000000000000 0.000000000000000 b 0.000000000000000 11.853204809999998 0.000000000000000 c -2.609809610197862 0.000000000000000 17.116419889118227 Atomic positions (fractional): *1 S 0.13260720673337 0.08333333333333 0.96757868002847 32.065 > 1 2 S 0.13260720673337 0.41666666666667 0.96757868002847 32.065 > 1 3 S 0.13260720673337 0.75000000000000 0.96757868002847 32.065 > 1 4 S 0.86739279326663 0.25000000000000 0.03242131997153 32.065 > 2 5 S 0.86739279326663 0.58333333333333 0.03242131997153 32.065 > 2 6 S 0.86739279326663 0.91666666666667 0.03242131997153 32.065 > 2 *7 S 0.17983271798433 0.08333333333333 0.31695435128526 32.065 > 3 8 S 0.17983271798433 0.41666666666667 0.31695435128526 32.065 > 3 9 S 0.17983271798433 0.75000000000000 0.31695435128526 32.065 > 3 10 S 0.82016728201567 0.25000000000000 0.68304564871474 32.065 > 4 11 S 0.82016728201567 0.58333333333333 0.68304564871474 32.065 > 4 12 S 0.82016728201567 0.91666666666667 0.68304564871474 32.065 > 4 *13 S 0.54739829756076 0.08333333333333 0.57605475934174 32.065 > 5 14 S 0.54739829756076 0.41666666666667 0.57605475934174 32.065 > 5 15 S 0.54739829756076 0.75000000000000 0.57605475934174 32.065 > 5 16 S 0.45260170243924 0.25000000000000 0.42394524065826 32.065 > 6 17 S 0.45260170243924 0.58333333333333 0.42394524065826 32.065 > 6 18 S 0.45260170243924 0.91666666666667 0.42394524065826 32.065 > 6 *19 S 0.78784975800759 0.08333333333333 0.87035704186596 32.065 > 7 20 S 0.78784975800759 0.41666666666667 0.87035704186596 32.065 > 7 21 S 0.78784975800759 0.75000000000000 0.87035704186596 32.065 > 7 22 S 0.21215024199241 0.25000000000000 0.12964295813404 32.065 > 8 23 S 0.21215024199241 0.58333333333333 0.12964295813404 32.065 > 8 24 S 0.21215024199241 0.91666666666667 0.12964295813404 32.065 > 8 *25 S 0.49379477521434 0.08333333333333 0.23194382962456 32.065 > 9 26 S 0.49379477521434 0.41666666666667 0.23194382962456 32.065 > 9 27 S 0.49379477521434 0.75000000000000 0.23194382962456 32.065 > 9 28 S 0.50620522478566 0.25000000000000 0.76805617037544 32.065 > 10 29 S 0.50620522478566 0.58333333333333 0.76805617037544 32.065 > 10 30 S 0.50620522478566 0.91666666666667 0.76805617037544 32.065 > 10 *31 S 0.86429123804861 0.08333333333333 0.21931769476960 32.065 > 11 32 S 0.86429123804861 0.41666666666667 0.21931769476960 32.065 > 11 33 S 0.86429123804861 0.75000000000000 0.21931769476960 32.065 > 11 34 S 0.13570876195139 0.25000000000000 0.78068230523040 32.065 > 12 35 S 0.13570876195139 0.58333333333333 0.78068230523040 32.065 > 12 36 S 0.13570876195139 0.91666666666667 0.78068230523040 32.065 > 12 *37 S 0.55348905391258 0.25000000000000 0.07512828120488 32.065 > 13 38 S 0.55348905391258 0.58333333333333 0.07512828120488 32.065 > 13 39 S 0.55348905391258 0.91666666666667 0.07512828120488 32.065 > 13 40 S 0.44651094608742 0.08333333333333 0.92487171879512 32.065 > 14 41 S 0.44651094608742 0.41666666666667 0.92487171879512 32.065 > 14 42 S 0.44651094608742 0.75000000000000 0.92487171879512 32.065 > 14 *43 S 0.76633872597262 0.25000000000000 0.37383863123067 32.065 > 15 44 S 0.76633872597262 0.58333333333333 0.37383863123067 32.065 > 15 45 S 0.76633872597262 0.91666666666667 0.37383863123067 32.065 > 15 46 S 0.23366127402738 0.08333333333333 0.62616136876933 32.065 > 16 47 S 0.23366127402738 0.41666666666667 0.62616136876933 32.065 > 16 48 S 0.23366127402738 0.75000000000000 0.62616136876933 32.065 > 16 *49 S 0.11428338867782 0.25000000000000 0.46627271672479 32.065 > 17 50 S 0.11428338867782 0.58333333333333 0.46627271672479 32.065 > 17 51 S 0.11428338867782 0.91666666666667 0.46627271672479 32.065 > 17 52 S 0.88571661132218 0.08333333333333 0.53372728327521 32.065 > 18 53 S 0.88571661132218 0.41666666666667 0.53372728327521 32.065 > 18 54 S 0.88571661132218 0.75000000000000 0.53372728327521 32.065 > 18 *55 Ho 0.95037354487001 0.08333333333333 0.38490570916516 164.930 > 19 56 Ho 0.95037354487001 0.41666666666667 0.38490570916516 164.930 > 19 57 Ho 0.95037354487001 0.75000000000000 0.38490570916516 164.930 > 19 58 Ho 0.04962645512999 0.25000000000000 0.61509429083484 164.930 > 20 59 Ho 0.04962645512999 0.58333333333333 0.61509429083484 164.930 > 20 60 Ho 0.04962645512999 0.91666666666667 0.61509429083484 164.930 > 20 *61 Ho 0.01532703391895 0.08333333333333 0.10180914516663 164.930 > 21 62 Ho 0.01532703391895 0.41666666666667 0.10180914516663 164.930 > 21 63 Ho 0.01532703391895 0.75000000000000 0.10180914516663 164.930 > 21 64 Ho 0.98467296608105 0.25000000000000 0.89819085483337 164.930 > 22 65 Ho 0.98467296608105 0.58333333333333 0.89819085483337 164.930 > 22 66 Ho 0.98467296608105 0.91666666666667 0.89819085483337 164.930 > 22 *67 Ho 0.31147593783256 0.08333333333333 0.77937364993011 164.930 > 23 68 Ho 0.31147593783256 0.41666666666667 0.77937364993011 164.930 > 23 69 Ho 0.31147593783256 0.75000000000000 0.77937364993011 164.930 > 23 70 Ho 0.68852406216744 0.25000000000000 0.22062635006989 164.930 > 24 71 Ho 0.68852406216744 0.58333333333333 0.22062635006989 164.930 > 24 72 Ho 0.68852406216744 0.91666666666667 0.22062635006989 164.930 > 24 *73 Ho 0.66927403139517 0.08333333333333 0.71913854994170 164.930 > 25 74 Ho 0.66927403139517 0.41666666666667 0.71913854994170 164.930 > 25 75 Ho 0.66927403139517 0.75000000000000 0.71913854994170 164.930 > 25 76 Ho 0.33072596860483 0.25000000000000 0.28086145005830 164.930 > 26 77 Ho 0.33072596860483 0.58333333333333 0.28086145005830 164.930 > 26 78 Ho 0.33072596860483 0.91666666666667 0.28086145005830 164.930 > 26 *79 Ho 0.37578694154413 0.08333333333333 0.06981033162191 164.930 > 27 80 Ho 0.37578694154413 0.41666666666667 0.06981033162191 164.930 > 27 81 Ho 0.37578694154413 0.75000000000000 0.06981033162191 164.930 > 27 82 Ho 0.62421305845587 0.25000000000000 0.93018966837809 164.930 > 28 83 Ho 0.62421305845587 0.58333333333333 0.93018966837809 164.930 > 28 84 Ho 0.62421305845587 0.91666666666667 0.93018966837809 164.930 > 28 *85 Ho 0.31049844176359 0.08333333333333 0.47866178574578 164.930 > 29 86 Ho 0.31049844176359 0.41666666666667 0.47866178574578 164.930 > 29 87 Ho 0.31049844176359 0.75000000000000 0.47866178574578 164.930 > 29 88 Ho 0.68950155823641 0.25000000000000 0.52133821425422 164.930 > 30 89 Ho 0.68950155823641 0.58333333333333 0.52133821425422 164.930 > 30 90 Ho 0.68950155823641 0.91666666666667 0.52133821425422 164.930 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2117352 0.0000000 0.0427017 0.0000000 7.2357727 0.0000000 0.0426779 0.0000000 7.0391131 -------------------------- Born effective charges -------------------------- 1 S -2.5617865 0.0000000 -0.6535147 0.0000000 -2.6283229 0.0000000 -0.4894525 0.0000000 -2.6314770 2 S -2.5617865 0.0000000 -0.6535147 0.0000000 -2.6283229 0.0000000 -0.4894525 0.0000000 -2.6314770 3 S -2.7367287 0.0000000 0.6190071 0.0000000 -2.7843155 0.0000000 0.5679468 0.0000000 -2.3731044 4 S -2.7367287 0.0000000 0.6190071 0.0000000 -2.7843155 0.0000000 0.5679468 0.0000000 -2.3731044 5 S -2.5713295 0.0000000 -0.5607467 0.0000000 -2.1040559 0.0000000 -0.4068900 0.0000000 -2.6601661 6 S -2.5713295 0.0000000 -0.5607467 0.0000000 -2.1040559 0.0000000 -0.4068900 0.0000000 -2.6601661 7 S -2.7046951 0.0000000 -0.2044030 0.0000000 -3.1392763 0.0000000 -0.2592898 0.0000000 -2.2748533 8 S -2.7046951 0.0000000 -0.2044030 0.0000000 -3.1392763 0.0000000 -0.2592898 0.0000000 -2.2748533 9 S -2.7731164 0.0000000 0.2164337 0.0000000 -3.6415546 0.0000000 0.2889813 0.0000000 -2.0494975 10 S -2.7731164 0.0000000 0.2164337 0.0000000 -3.6415546 0.0000000 0.2889813 0.0000000 -2.0494975 11 S -2.6322438 0.0000000 0.5220264 0.0000000 -2.6231525 0.0000000 0.5390979 0.0000000 -2.6609509 12 S -2.6322438 0.0000000 0.5220264 0.0000000 -2.6231525 0.0000000 0.5390979 0.0000000 -2.6609509 13 S -2.2998771 0.0000000 0.0736756 0.0000000 -2.3329668 0.0000000 -0.0923440 0.0000000 -2.8841298 14 S -2.2998771 0.0000000 0.0736756 0.0000000 -2.3329668 0.0000000 -0.0923440 0.0000000 -2.8841298 15 S -2.2045130 0.0000000 -0.1610633 0.0000000 -2.2485934 0.0000000 -0.1850176 0.0000000 -3.0705088 16 S -2.2045130 0.0000000 -0.1610633 0.0000000 -2.2485934 0.0000000 -0.1850176 0.0000000 -3.0705088 17 S -2.5651659 0.0000000 -0.1308484 0.0000000 -3.0370062 0.0000000 -0.1647801 0.0000000 -1.9806666 18 S -2.5651659 0.0000000 -0.1308484 0.0000000 -3.0370062 0.0000000 -0.1647801 0.0000000 -1.9806666 19 Ho 3.9342852 0.0000000 0.0591778 0.0000000 3.7613629 0.0000000 0.3063712 0.0000000 3.4487809 20 Ho 3.9342852 0.0000000 0.0591778 0.0000000 3.7613629 0.0000000 0.3063712 0.0000000 3.4487809 21 Ho 3.8322632 0.0000000 -0.2589860 0.0000000 4.4391971 0.0000000 -0.1110145 0.0000000 3.9019059 22 Ho 3.8322632 0.0000000 -0.2589860 0.0000000 4.4391971 0.0000000 -0.1110145 0.0000000 3.9019059 23 Ho 3.9752818 0.0000000 0.9201305 0.0000000 4.3878542 0.0000000 0.6651791 0.0000000 4.1031234 24 Ho 3.9752818 0.0000000 0.9201305 0.0000000 4.3878542 0.0000000 0.6651791 0.0000000 4.1031234 25 Ho 3.2019443 0.0000000 -0.2591978 0.0000000 4.6419155 0.0000000 -0.5817408 0.0000000 4.4667271 26 Ho 3.2019443 0.0000000 -0.2591978 0.0000000 4.6419155 0.0000000 -0.5817408 0.0000000 4.4667271 27 Ho 4.0301349 0.0000000 -0.0977642 0.0000000 3.6944295 0.0000000 -0.0168810 0.0000000 3.4909211 28 Ho 4.0301349 0.0000000 -0.0977642 0.0000000 3.6944295 0.0000000 -0.0168810 0.0000000 3.4909211 29 Ho 4.0755466 0.0000000 -0.0839270 0.0000000 3.6144850 0.0000000 -0.0601661 0.0000000 3.1738958 30 Ho 4.0755466 0.0000000 -0.0839270 0.0000000 3.6144850 0.0000000 -0.0601661 0.0000000 3.1738958 ---------------------------------------------------------------------------- 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: 270/270 Permutation basis: 12375/12375 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3240 Number of blocks in projector: 3240 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: 900 Use submatrix version of eigh solver. (1) Block: 500 / 900 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 900 / 900 (1) 371 eigenvectors found. (1) Complementary block size: 58 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 450 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 450 Use standard eigh solver. Tree of FC basis block matrices: - (3240, 3166), data: False |-- (450, 450), data: True |-- (450, 450), data: True |-- (480, 465), data: True |-- (480, 465), data: True |-- (480, 465), data: True |-- (900, 871), data: False |-- (900, 29), data: (900, 58) @ (58, 29) |-- (400, 371), data: True |-- (500, 471), data: False |-- (500, 29), data: (500, 58) @ (58, 29) |-- (250, 221), data: True |-- (250, 221), data: True ----- Solver_atoms: 1 -- 90 / 90 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 960 - Time: 0.677 Solver_block: 200 / 960 - Time: 0.569 Solver_block: 300 / 960 - Time: 0.570 Solver_block: 400 / 960 - Time: 0.568 Solver_block: 500 / 960 - Time: 0.565 Solver_block: 600 / 960 - Time: 0.571 Solver_block: 700 / 960 - Time: 0.567 Solver_block: 800 / 960 - Time: 0.572 Solver_block: 900 / 960 - Time: 0.572 Solver_block: 960 / 960 - Time: 0.399 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.816 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 270/270 Permutation basis: 12375/12375 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3240 Number of blocks in projector: 3240 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: 900 Use submatrix version of eigh solver. (1) Block: 500 / 900 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 900 / 900 (1) 371 eigenvectors found. (1) Complementary block size: 58 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 450 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 450 Use standard eigh solver. Tree of FC basis block matrices: - (3240, 3166), data: False |-- (450, 450), data: True |-- (450, 450), data: True |-- (480, 465), data: True |-- (480, 465), data: True |-- (480, 465), data: True |-- (900, 871), data: False |-- (900, 29), data: (900, 58) @ (58, 29) |-- (400, 371), data: True |-- (500, 471), data: False |-- (500, 29), data: (500, 58) @ (58, 29) |-- (250, 221), data: True |-- (250, 221), 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 18:39:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:39:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.030455440028023 0.000000000000000 0.000000000000000 b 0.000000000000000 3.951068269999999 0.000000000000000 c -2.609809610197862 0.000000000000000 17.116419889118227 Atomic positions (fractional): 1 S 0.13260720673337 0.25000000000000 0.96757868002847 32.065 2 S 0.86739279326663 0.75000000000000 0.03242131997153 32.065 3 S 0.17983271798433 0.25000000000000 0.31695435128526 32.065 4 S 0.82016728201567 0.75000000000000 0.68304564871474 32.065 5 S 0.54739829756076 0.25000000000000 0.57605475934174 32.065 6 S 0.45260170243924 0.75000000000000 0.42394524065826 32.065 7 S 0.78784975800759 0.25000000000000 0.87035704186596 32.065 8 S 0.21215024199241 0.75000000000000 0.12964295813404 32.065 9 S 0.49379477521434 0.25000000000000 0.23194382962456 32.065 10 S 0.50620522478566 0.75000000000000 0.76805617037544 32.065 11 S 0.86429123804861 0.25000000000000 0.21931769476960 32.065 12 S 0.13570876195139 0.75000000000000 0.78068230523040 32.065 13 S 0.55348905391258 0.75000000000000 0.07512828120488 32.065 14 S 0.44651094608742 0.25000000000000 0.92487171879512 32.065 15 S 0.76633872597262 0.75000000000000 0.37383863123067 32.065 16 S 0.23366127402738 0.25000000000000 0.62616136876933 32.065 17 S 0.11428338867782 0.75000000000000 0.46627271672479 32.065 18 S 0.88571661132218 0.25000000000000 0.53372728327521 32.065 19 Ho 0.95037354487001 0.25000000000000 0.38490570916516 164.930 20 Ho 0.04962645512999 0.75000000000000 0.61509429083484 164.930 21 Ho 0.01532703391895 0.25000000000000 0.10180914516663 164.930 22 Ho 0.98467296608105 0.75000000000000 0.89819085483337 164.930 23 Ho 0.31147593783256 0.25000000000000 0.77937364993011 164.930 24 Ho 0.68852406216744 0.75000000000000 0.22062635006989 164.930 25 Ho 0.66927403139517 0.25000000000000 0.71913854994170 164.930 26 Ho 0.33072596860483 0.75000000000000 0.28086145005830 164.930 27 Ho 0.37578694154413 0.25000000000000 0.06981033162191 164.930 28 Ho 0.62421305845587 0.75000000000000 0.93018966837809 164.930 29 Ho 0.31049844176359 0.25000000000000 0.47866178574578 164.930 30 Ho 0.68950155823641 0.75000000000000 0.52133821425422 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.030455440028023 0.000000000000000 0.000000000000000 b 0.000000000000000 11.853204809999998 0.000000000000000 c -2.609809610197862 0.000000000000000 17.116419889118227 Atomic positions (fractional): 1 S 0.13260720673337 0.08333333333333 0.96757868002847 32.065 > 1 2 S 0.13260720673337 0.41666666666667 0.96757868002847 32.065 > 1 3 S 0.13260720673337 0.75000000000000 0.96757868002847 32.065 > 1 4 S 0.86739279326663 0.25000000000000 0.03242131997153 32.065 > 4 5 S 0.86739279326663 0.58333333333333 0.03242131997153 32.065 > 4 6 S 0.86739279326663 0.91666666666667 0.03242131997153 32.065 > 4 7 S 0.17983271798433 0.08333333333333 0.31695435128526 32.065 > 7 8 S 0.17983271798433 0.41666666666667 0.31695435128526 32.065 > 7 9 S 0.17983271798433 0.75000000000000 0.31695435128526 32.065 > 7 10 S 0.82016728201567 0.25000000000000 0.68304564871474 32.065 > 10 11 S 0.82016728201567 0.58333333333333 0.68304564871474 32.065 > 10 12 S 0.82016728201567 0.91666666666667 0.68304564871474 32.065 > 10 13 S 0.54739829756076 0.08333333333333 0.57605475934174 32.065 > 13 14 S 0.54739829756076 0.41666666666667 0.57605475934174 32.065 > 13 15 S 0.54739829756076 0.75000000000000 0.57605475934174 32.065 > 13 16 S 0.45260170243924 0.25000000000000 0.42394524065826 32.065 > 16 17 S 0.45260170243924 0.58333333333333 0.42394524065826 32.065 > 16 18 S 0.45260170243924 0.91666666666667 0.42394524065826 32.065 > 16 19 S 0.78784975800759 0.08333333333333 0.87035704186596 32.065 > 19 20 S 0.78784975800759 0.41666666666667 0.87035704186596 32.065 > 19 21 S 0.78784975800759 0.75000000000000 0.87035704186596 32.065 > 19 22 S 0.21215024199241 0.25000000000000 0.12964295813404 32.065 > 22 23 S 0.21215024199241 0.58333333333333 0.12964295813404 32.065 > 22 24 S 0.21215024199241 0.91666666666667 0.12964295813404 32.065 > 22 25 S 0.49379477521434 0.08333333333333 0.23194382962456 32.065 > 25 26 S 0.49379477521434 0.41666666666667 0.23194382962456 32.065 > 25 27 S 0.49379477521434 0.75000000000000 0.23194382962456 32.065 > 25 28 S 0.50620522478566 0.25000000000000 0.76805617037544 32.065 > 28 29 S 0.50620522478566 0.58333333333333 0.76805617037544 32.065 > 28 30 S 0.50620522478566 0.91666666666667 0.76805617037544 32.065 > 28 31 S 0.86429123804861 0.08333333333333 0.21931769476960 32.065 > 31 32 S 0.86429123804861 0.41666666666667 0.21931769476960 32.065 > 31 33 S 0.86429123804861 0.75000000000000 0.21931769476960 32.065 > 31 34 S 0.13570876195139 0.25000000000000 0.78068230523040 32.065 > 34 35 S 0.13570876195139 0.58333333333333 0.78068230523040 32.065 > 34 36 S 0.13570876195139 0.91666666666667 0.78068230523040 32.065 > 34 37 S 0.55348905391258 0.25000000000000 0.07512828120488 32.065 > 37 38 S 0.55348905391258 0.58333333333333 0.07512828120488 32.065 > 37 39 S 0.55348905391258 0.91666666666667 0.07512828120488 32.065 > 37 40 S 0.44651094608742 0.08333333333333 0.92487171879512 32.065 > 40 41 S 0.44651094608742 0.41666666666667 0.92487171879512 32.065 > 40 42 S 0.44651094608742 0.75000000000000 0.92487171879512 32.065 > 40 43 S 0.76633872597262 0.25000000000000 0.37383863123067 32.065 > 43 44 S 0.76633872597262 0.58333333333333 0.37383863123067 32.065 > 43 45 S 0.76633872597262 0.91666666666667 0.37383863123067 32.065 > 43 46 S 0.23366127402738 0.08333333333333 0.62616136876933 32.065 > 46 47 S 0.23366127402738 0.41666666666667 0.62616136876933 32.065 > 46 48 S 0.23366127402738 0.75000000000000 0.62616136876933 32.065 > 46 49 S 0.11428338867782 0.25000000000000 0.46627271672479 32.065 > 49 50 S 0.11428338867782 0.58333333333333 0.46627271672479 32.065 > 49 51 S 0.11428338867782 0.91666666666667 0.46627271672479 32.065 > 49 52 S 0.88571661132218 0.08333333333333 0.53372728327521 32.065 > 52 53 S 0.88571661132218 0.41666666666667 0.53372728327521 32.065 > 52 54 S 0.88571661132218 0.75000000000000 0.53372728327521 32.065 > 52 55 Ho 0.95037354487001 0.08333333333333 0.38490570916516 164.930 > 55 56 Ho 0.95037354487001 0.41666666666667 0.38490570916516 164.930 > 55 57 Ho 0.95037354487001 0.75000000000000 0.38490570916516 164.930 > 55 58 Ho 0.04962645512999 0.25000000000000 0.61509429083484 164.930 > 58 59 Ho 0.04962645512999 0.58333333333333 0.61509429083484 164.930 > 58 60 Ho 0.04962645512999 0.91666666666667 0.61509429083484 164.930 > 58 61 Ho 0.01532703391895 0.08333333333333 0.10180914516663 164.930 > 61 62 Ho 0.01532703391895 0.41666666666667 0.10180914516663 164.930 > 61 63 Ho 0.01532703391895 0.75000000000000 0.10180914516663 164.930 > 61 64 Ho 0.98467296608105 0.25000000000000 0.89819085483337 164.930 > 64 65 Ho 0.98467296608105 0.58333333333333 0.89819085483337 164.930 > 64 66 Ho 0.98467296608105 0.91666666666667 0.89819085483337 164.930 > 64 67 Ho 0.31147593783256 0.08333333333333 0.77937364993011 164.930 > 67 68 Ho 0.31147593783256 0.41666666666667 0.77937364993011 164.930 > 67 69 Ho 0.31147593783256 0.75000000000000 0.77937364993011 164.930 > 67 70 Ho 0.68852406216744 0.25000000000000 0.22062635006989 164.930 > 70 71 Ho 0.68852406216744 0.58333333333333 0.22062635006989 164.930 > 70 72 Ho 0.68852406216744 0.91666666666667 0.22062635006989 164.930 > 70 73 Ho 0.66927403139517 0.08333333333333 0.71913854994170 164.930 > 73 74 Ho 0.66927403139517 0.41666666666667 0.71913854994170 164.930 > 73 75 Ho 0.66927403139517 0.75000000000000 0.71913854994170 164.930 > 73 76 Ho 0.33072596860483 0.25000000000000 0.28086145005830 164.930 > 76 77 Ho 0.33072596860483 0.58333333333333 0.28086145005830 164.930 > 76 78 Ho 0.33072596860483 0.91666666666667 0.28086145005830 164.930 > 76 79 Ho 0.37578694154413 0.08333333333333 0.06981033162191 164.930 > 79 80 Ho 0.37578694154413 0.41666666666667 0.06981033162191 164.930 > 79 81 Ho 0.37578694154413 0.75000000000000 0.06981033162191 164.930 > 79 82 Ho 0.62421305845587 0.25000000000000 0.93018966837809 164.930 > 82 83 Ho 0.62421305845587 0.58333333333333 0.93018966837809 164.930 > 82 84 Ho 0.62421305845587 0.91666666666667 0.93018966837809 164.930 > 82 85 Ho 0.31049844176359 0.08333333333333 0.47866178574578 164.930 > 85 86 Ho 0.31049844176359 0.41666666666667 0.47866178574578 164.930 > 85 87 Ho 0.31049844176359 0.75000000000000 0.47866178574578 164.930 > 85 88 Ho 0.68950155823641 0.25000000000000 0.52133821425422 164.930 > 88 89 Ho 0.68950155823641 0.58333333333333 0.52133821425422 164.930 > 88 90 Ho 0.68950155823641 0.91666666666667 0.52133821425422 164.930 > 88 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2117352 0.0000000 0.0427017 0.0000000 7.2357727 0.0000000 0.0426779 0.0000000 7.0391131 -------------------------- Born effective charges -------------------------- 1 S -2.5617865 0.0000000 -0.6535147 0.0000000 -2.6283229 0.0000000 -0.4894525 0.0000000 -2.6314770 2 S -2.5617865 0.0000000 -0.6535147 0.0000000 -2.6283229 0.0000000 -0.4894525 0.0000000 -2.6314770 3 S -2.7367287 0.0000000 0.6190071 0.0000000 -2.7843155 0.0000000 0.5679468 0.0000000 -2.3731044 4 S -2.7367287 0.0000000 0.6190071 0.0000000 -2.7843155 0.0000000 0.5679468 0.0000000 -2.3731044 5 S -2.5713295 0.0000000 -0.5607467 0.0000000 -2.1040559 0.0000000 -0.4068900 0.0000000 -2.6601661 6 S -2.5713295 0.0000000 -0.5607467 0.0000000 -2.1040559 0.0000000 -0.4068900 0.0000000 -2.6601661 7 S -2.7046951 0.0000000 -0.2044030 0.0000000 -3.1392763 0.0000000 -0.2592898 0.0000000 -2.2748533 8 S -2.7046951 0.0000000 -0.2044030 0.0000000 -3.1392763 0.0000000 -0.2592898 0.0000000 -2.2748533 9 S -2.7731164 0.0000000 0.2164337 0.0000000 -3.6415546 0.0000000 0.2889813 0.0000000 -2.0494975 10 S -2.7731164 0.0000000 0.2164337 0.0000000 -3.6415546 0.0000000 0.2889813 0.0000000 -2.0494975 11 S -2.6322438 0.0000000 0.5220264 0.0000000 -2.6231525 0.0000000 0.5390979 0.0000000 -2.6609509 12 S -2.6322438 0.0000000 0.5220264 0.0000000 -2.6231525 0.0000000 0.5390979 0.0000000 -2.6609509 13 S -2.2998771 0.0000000 0.0736756 0.0000000 -2.3329668 0.0000000 -0.0923440 0.0000000 -2.8841298 14 S -2.2998771 0.0000000 0.0736756 0.0000000 -2.3329668 0.0000000 -0.0923440 0.0000000 -2.8841298 15 S -2.2045130 0.0000000 -0.1610633 0.0000000 -2.2485934 0.0000000 -0.1850176 0.0000000 -3.0705088 16 S -2.2045130 0.0000000 -0.1610633 0.0000000 -2.2485934 0.0000000 -0.1850176 0.0000000 -3.0705088 17 S -2.5651659 0.0000000 -0.1308484 0.0000000 -3.0370062 0.0000000 -0.1647801 0.0000000 -1.9806666 18 S -2.5651659 0.0000000 -0.1308484 0.0000000 -3.0370062 0.0000000 -0.1647801 0.0000000 -1.9806666 19 Ho 3.9342852 0.0000000 0.0591778 0.0000000 3.7613629 0.0000000 0.3063712 0.0000000 3.4487809 20 Ho 3.9342852 0.0000000 0.0591778 0.0000000 3.7613629 0.0000000 0.3063712 0.0000000 3.4487809 21 Ho 3.8322632 0.0000000 -0.2589860 0.0000000 4.4391971 0.0000000 -0.1110145 0.0000000 3.9019059 22 Ho 3.8322632 0.0000000 -0.2589860 0.0000000 4.4391971 0.0000000 -0.1110145 0.0000000 3.9019059 23 Ho 3.9752818 0.0000000 0.9201305 0.0000000 4.3878542 0.0000000 0.6651791 0.0000000 4.1031234 24 Ho 3.9752818 0.0000000 0.9201305 0.0000000 4.3878542 0.0000000 0.6651791 0.0000000 4.1031234 25 Ho 3.2019443 0.0000000 -0.2591978 0.0000000 4.6419155 0.0000000 -0.5817408 0.0000000 4.4667271 26 Ho 3.2019443 0.0000000 -0.2591978 0.0000000 4.6419155 0.0000000 -0.5817408 0.0000000 4.4667271 27 Ho 4.0301349 0.0000000 -0.0977642 0.0000000 3.6944295 0.0000000 -0.0168810 0.0000000 3.4909211 28 Ho 4.0301349 0.0000000 -0.0977642 0.0000000 3.6944295 0.0000000 -0.0168810 0.0000000 3.4909211 29 Ho 4.0755466 0.0000000 -0.0839270 0.0000000 3.6144850 0.0000000 -0.0601661 0.0000000 3.1738958 30 Ho 4.0755466 0.0000000 -0.0839270 0.0000000 3.6144850 0.0000000 -0.0601661 0.0000000 3.1738958 ---------------------------------------------------------------------------- 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 31, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 61, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 67, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 73, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 79, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 85, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:40:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:40:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.030455440028023 0.000000000000000 0.000000000000000 b 0.000000000000000 3.951068269999999 0.000000000000000 c -2.609809610197862 0.000000000000000 17.116419889118227 Atomic positions (fractional): 1 S 0.13260720673337 0.25000000000000 0.96757868002847 32.065 2 S 0.86739279326663 0.75000000000000 0.03242131997153 32.065 3 S 0.17983271798433 0.25000000000000 0.31695435128526 32.065 4 S 0.82016728201567 0.75000000000000 0.68304564871474 32.065 5 S 0.54739829756076 0.25000000000000 0.57605475934174 32.065 6 S 0.45260170243924 0.75000000000000 0.42394524065826 32.065 7 S 0.78784975800759 0.25000000000000 0.87035704186596 32.065 8 S 0.21215024199241 0.75000000000000 0.12964295813404 32.065 9 S 0.49379477521434 0.25000000000000 0.23194382962456 32.065 10 S 0.50620522478566 0.75000000000000 0.76805617037544 32.065 11 S 0.86429123804861 0.25000000000000 0.21931769476960 32.065 12 S 0.13570876195139 0.75000000000000 0.78068230523040 32.065 13 S 0.55348905391258 0.75000000000000 0.07512828120488 32.065 14 S 0.44651094608742 0.25000000000000 0.92487171879512 32.065 15 S 0.76633872597262 0.75000000000000 0.37383863123067 32.065 16 S 0.23366127402738 0.25000000000000 0.62616136876933 32.065 17 S 0.11428338867782 0.75000000000000 0.46627271672479 32.065 18 S 0.88571661132218 0.25000000000000 0.53372728327521 32.065 19 Ho 0.95037354487001 0.25000000000000 0.38490570916516 164.930 20 Ho 0.04962645512999 0.75000000000000 0.61509429083484 164.930 21 Ho 0.01532703391895 0.25000000000000 0.10180914516663 164.930 22 Ho 0.98467296608105 0.75000000000000 0.89819085483337 164.930 23 Ho 0.31147593783256 0.25000000000000 0.77937364993011 164.930 24 Ho 0.68852406216744 0.75000000000000 0.22062635006989 164.930 25 Ho 0.66927403139517 0.25000000000000 0.71913854994170 164.930 26 Ho 0.33072596860483 0.75000000000000 0.28086145005830 164.930 27 Ho 0.37578694154413 0.25000000000000 0.06981033162191 164.930 28 Ho 0.62421305845587 0.75000000000000 0.93018966837809 164.930 29 Ho 0.31049844176359 0.25000000000000 0.47866178574578 164.930 30 Ho 0.68950155823641 0.75000000000000 0.52133821425422 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.030455440028023 0.000000000000000 0.000000000000000 b 0.000000000000000 11.853204809999998 0.000000000000000 c -2.609809610197862 0.000000000000000 17.116419889118227 Atomic positions (fractional): 1 S 0.13260720673337 0.08333333333333 0.96757868002847 32.065 > 1 2 S 0.13260720673337 0.41666666666667 0.96757868002847 32.065 > 1 3 S 0.13260720673337 0.75000000000000 0.96757868002847 32.065 > 1 4 S 0.86739279326663 0.25000000000000 0.03242131997153 32.065 > 4 5 S 0.86739279326663 0.58333333333333 0.03242131997153 32.065 > 4 6 S 0.86739279326663 0.91666666666667 0.03242131997153 32.065 > 4 7 S 0.17983271798433 0.08333333333333 0.31695435128526 32.065 > 7 8 S 0.17983271798433 0.41666666666667 0.31695435128526 32.065 > 7 9 S 0.17983271798433 0.75000000000000 0.31695435128526 32.065 > 7 10 S 0.82016728201567 0.25000000000000 0.68304564871474 32.065 > 10 11 S 0.82016728201567 0.58333333333333 0.68304564871474 32.065 > 10 12 S 0.82016728201567 0.91666666666667 0.68304564871474 32.065 > 10 13 S 0.54739829756076 0.08333333333333 0.57605475934174 32.065 > 13 14 S 0.54739829756076 0.41666666666667 0.57605475934174 32.065 > 13 15 S 0.54739829756076 0.75000000000000 0.57605475934174 32.065 > 13 16 S 0.45260170243924 0.25000000000000 0.42394524065826 32.065 > 16 17 S 0.45260170243924 0.58333333333333 0.42394524065826 32.065 > 16 18 S 0.45260170243924 0.91666666666667 0.42394524065826 32.065 > 16 19 S 0.78784975800759 0.08333333333333 0.87035704186596 32.065 > 19 20 S 0.78784975800759 0.41666666666667 0.87035704186596 32.065 > 19 21 S 0.78784975800759 0.75000000000000 0.87035704186596 32.065 > 19 22 S 0.21215024199241 0.25000000000000 0.12964295813404 32.065 > 22 23 S 0.21215024199241 0.58333333333333 0.12964295813404 32.065 > 22 24 S 0.21215024199241 0.91666666666667 0.12964295813404 32.065 > 22 25 S 0.49379477521434 0.08333333333333 0.23194382962456 32.065 > 25 26 S 0.49379477521434 0.41666666666667 0.23194382962456 32.065 > 25 27 S 0.49379477521434 0.75000000000000 0.23194382962456 32.065 > 25 28 S 0.50620522478566 0.25000000000000 0.76805617037544 32.065 > 28 29 S 0.50620522478566 0.58333333333333 0.76805617037544 32.065 > 28 30 S 0.50620522478566 0.91666666666667 0.76805617037544 32.065 > 28 31 S 0.86429123804861 0.08333333333333 0.21931769476960 32.065 > 31 32 S 0.86429123804861 0.41666666666667 0.21931769476960 32.065 > 31 33 S 0.86429123804861 0.75000000000000 0.21931769476960 32.065 > 31 34 S 0.13570876195139 0.25000000000000 0.78068230523040 32.065 > 34 35 S 0.13570876195139 0.58333333333333 0.78068230523040 32.065 > 34 36 S 0.13570876195139 0.91666666666667 0.78068230523040 32.065 > 34 37 S 0.55348905391258 0.25000000000000 0.07512828120488 32.065 > 37 38 S 0.55348905391258 0.58333333333333 0.07512828120488 32.065 > 37 39 S 0.55348905391258 0.91666666666667 0.07512828120488 32.065 > 37 40 S 0.44651094608742 0.08333333333333 0.92487171879512 32.065 > 40 41 S 0.44651094608742 0.41666666666667 0.92487171879512 32.065 > 40 42 S 0.44651094608742 0.75000000000000 0.92487171879512 32.065 > 40 43 S 0.76633872597262 0.25000000000000 0.37383863123067 32.065 > 43 44 S 0.76633872597262 0.58333333333333 0.37383863123067 32.065 > 43 45 S 0.76633872597262 0.91666666666667 0.37383863123067 32.065 > 43 46 S 0.23366127402738 0.08333333333333 0.62616136876933 32.065 > 46 47 S 0.23366127402738 0.41666666666667 0.62616136876933 32.065 > 46 48 S 0.23366127402738 0.75000000000000 0.62616136876933 32.065 > 46 49 S 0.11428338867782 0.25000000000000 0.46627271672479 32.065 > 49 50 S 0.11428338867782 0.58333333333333 0.46627271672479 32.065 > 49 51 S 0.11428338867782 0.91666666666667 0.46627271672479 32.065 > 49 52 S 0.88571661132218 0.08333333333333 0.53372728327521 32.065 > 52 53 S 0.88571661132218 0.41666666666667 0.53372728327521 32.065 > 52 54 S 0.88571661132218 0.75000000000000 0.53372728327521 32.065 > 52 55 Ho 0.95037354487001 0.08333333333333 0.38490570916516 164.930 > 55 56 Ho 0.95037354487001 0.41666666666667 0.38490570916516 164.930 > 55 57 Ho 0.95037354487001 0.75000000000000 0.38490570916516 164.930 > 55 58 Ho 0.04962645512999 0.25000000000000 0.61509429083484 164.930 > 58 59 Ho 0.04962645512999 0.58333333333333 0.61509429083484 164.930 > 58 60 Ho 0.04962645512999 0.91666666666667 0.61509429083484 164.930 > 58 61 Ho 0.01532703391895 0.08333333333333 0.10180914516663 164.930 > 61 62 Ho 0.01532703391895 0.41666666666667 0.10180914516663 164.930 > 61 63 Ho 0.01532703391895 0.75000000000000 0.10180914516663 164.930 > 61 64 Ho 0.98467296608105 0.25000000000000 0.89819085483337 164.930 > 64 65 Ho 0.98467296608105 0.58333333333333 0.89819085483337 164.930 > 64 66 Ho 0.98467296608105 0.91666666666667 0.89819085483337 164.930 > 64 67 Ho 0.31147593783256 0.08333333333333 0.77937364993011 164.930 > 67 68 Ho 0.31147593783256 0.41666666666667 0.77937364993011 164.930 > 67 69 Ho 0.31147593783256 0.75000000000000 0.77937364993011 164.930 > 67 70 Ho 0.68852406216744 0.25000000000000 0.22062635006989 164.930 > 70 71 Ho 0.68852406216744 0.58333333333333 0.22062635006989 164.930 > 70 72 Ho 0.68852406216744 0.91666666666667 0.22062635006989 164.930 > 70 73 Ho 0.66927403139517 0.08333333333333 0.71913854994170 164.930 > 73 74 Ho 0.66927403139517 0.41666666666667 0.71913854994170 164.930 > 73 75 Ho 0.66927403139517 0.75000000000000 0.71913854994170 164.930 > 73 76 Ho 0.33072596860483 0.25000000000000 0.28086145005830 164.930 > 76 77 Ho 0.33072596860483 0.58333333333333 0.28086145005830 164.930 > 76 78 Ho 0.33072596860483 0.91666666666667 0.28086145005830 164.930 > 76 79 Ho 0.37578694154413 0.08333333333333 0.06981033162191 164.930 > 79 80 Ho 0.37578694154413 0.41666666666667 0.06981033162191 164.930 > 79 81 Ho 0.37578694154413 0.75000000000000 0.06981033162191 164.930 > 79 82 Ho 0.62421305845587 0.25000000000000 0.93018966837809 164.930 > 82 83 Ho 0.62421305845587 0.58333333333333 0.93018966837809 164.930 > 82 84 Ho 0.62421305845587 0.91666666666667 0.93018966837809 164.930 > 82 85 Ho 0.31049844176359 0.08333333333333 0.47866178574578 164.930 > 85 86 Ho 0.31049844176359 0.41666666666667 0.47866178574578 164.930 > 85 87 Ho 0.31049844176359 0.75000000000000 0.47866178574578 164.930 > 85 88 Ho 0.68950155823641 0.25000000000000 0.52133821425422 164.930 > 88 89 Ho 0.68950155823641 0.58333333333333 0.52133821425422 164.930 > 88 90 Ho 0.68950155823641 0.91666666666667 0.52133821425422 164.930 > 88 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.2117352 0.0000000 0.0427017 0.0000000 7.2357727 0.0000000 0.0426779 0.0000000 7.0391131 -------------------------- Born effective charges -------------------------- 1 S -2.5617865 0.0000000 -0.6535147 0.0000000 -2.6283229 0.0000000 -0.4894525 0.0000000 -2.6314770 2 S -2.5617865 0.0000000 -0.6535147 0.0000000 -2.6283229 0.0000000 -0.4894525 0.0000000 -2.6314770 3 S -2.7367287 0.0000000 0.6190071 0.0000000 -2.7843155 0.0000000 0.5679468 0.0000000 -2.3731044 4 S -2.7367287 0.0000000 0.6190071 0.0000000 -2.7843155 0.0000000 0.5679468 0.0000000 -2.3731044 5 S -2.5713295 0.0000000 -0.5607467 0.0000000 -2.1040559 0.0000000 -0.4068900 0.0000000 -2.6601661 6 S -2.5713295 0.0000000 -0.5607467 0.0000000 -2.1040559 0.0000000 -0.4068900 0.0000000 -2.6601661 7 S -2.7046951 0.0000000 -0.2044030 0.0000000 -3.1392763 0.0000000 -0.2592898 0.0000000 -2.2748533 8 S -2.7046951 0.0000000 -0.2044030 0.0000000 -3.1392763 0.0000000 -0.2592898 0.0000000 -2.2748533 9 S -2.7731164 0.0000000 0.2164337 0.0000000 -3.6415546 0.0000000 0.2889813 0.0000000 -2.0494975 10 S -2.7731164 0.0000000 0.2164337 0.0000000 -3.6415546 0.0000000 0.2889813 0.0000000 -2.0494975 11 S -2.6322438 0.0000000 0.5220264 0.0000000 -2.6231525 0.0000000 0.5390979 0.0000000 -2.6609509 12 S -2.6322438 0.0000000 0.5220264 0.0000000 -2.6231525 0.0000000 0.5390979 0.0000000 -2.6609509 13 S -2.2998771 0.0000000 0.0736756 0.0000000 -2.3329668 0.0000000 -0.0923440 0.0000000 -2.8841298 14 S -2.2998771 0.0000000 0.0736756 0.0000000 -2.3329668 0.0000000 -0.0923440 0.0000000 -2.8841298 15 S -2.2045130 0.0000000 -0.1610633 0.0000000 -2.2485934 0.0000000 -0.1850176 0.0000000 -3.0705088 16 S -2.2045130 0.0000000 -0.1610633 0.0000000 -2.2485934 0.0000000 -0.1850176 0.0000000 -3.0705088 17 S -2.5651659 0.0000000 -0.1308484 0.0000000 -3.0370062 0.0000000 -0.1647801 0.0000000 -1.9806666 18 S -2.5651659 0.0000000 -0.1308484 0.0000000 -3.0370062 0.0000000 -0.1647801 0.0000000 -1.9806666 19 Ho 3.9342852 0.0000000 0.0591778 0.0000000 3.7613629 0.0000000 0.3063712 0.0000000 3.4487809 20 Ho 3.9342852 0.0000000 0.0591778 0.0000000 3.7613629 0.0000000 0.3063712 0.0000000 3.4487809 21 Ho 3.8322632 0.0000000 -0.2589860 0.0000000 4.4391971 0.0000000 -0.1110145 0.0000000 3.9019059 22 Ho 3.8322632 0.0000000 -0.2589860 0.0000000 4.4391971 0.0000000 -0.1110145 0.0000000 3.9019059 23 Ho 3.9752818 0.0000000 0.9201305 0.0000000 4.3878542 0.0000000 0.6651791 0.0000000 4.1031234 24 Ho 3.9752818 0.0000000 0.9201305 0.0000000 4.3878542 0.0000000 0.6651791 0.0000000 4.1031234 25 Ho 3.2019443 0.0000000 -0.2591978 0.0000000 4.6419155 0.0000000 -0.5817408 0.0000000 4.4667271 26 Ho 3.2019443 0.0000000 -0.2591978 0.0000000 4.6419155 0.0000000 -0.5817408 0.0000000 4.4667271 27 Ho 4.0301349 0.0000000 -0.0977642 0.0000000 3.6944295 0.0000000 -0.0168810 0.0000000 3.4909211 28 Ho 4.0301349 0.0000000 -0.0977642 0.0000000 3.6944295 0.0000000 -0.0168810 0.0000000 3.4909211 29 Ho 4.0755466 0.0000000 -0.0839270 0.0000000 3.6144850 0.0000000 -0.0601661 0.0000000 3.1738958 30 Ho 4.0755466 0.0000000 -0.0839270 0.0000000 3.6144850 0.0000000 -0.0601661 0.0000000 3.1738958 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) 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 ... [ 5 13 3 ] 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: 0.47, Number of G-points: 287, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 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 1.152 ( 0.000 0.000 0.000) 0.000 1.157 ( 0.000 0.000 0.000) 0.000 1.247 ( 0.000 0.000 0.000) 0.000 1.266 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.022 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.780 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.008 ( 0.000 0.000 0.000) 0.000 6.033 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.221 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 0.000) 0.000 6.618 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.853 ( 0.000 0.000 0.000) 0.000 6.863 ( 0.000 0.000 0.000) 0.000 6.983 ( 0.000 0.000 0.000) 0.000 6.989 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 7.752 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 7.837 ( 0.000 0.000 0.000) 0.000 8.055 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 8.736 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.423 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 9.926 ( 0.000 0.000 0.000) 0.000 10.277 ( 0.000 0.000 0.000) 0.000 10.683 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 19.849 0.000 -7.337) 21.161 0.406 ( 19.454 0.000 3.755) 19.813 0.848 ( 33.441 0.000 8.926) 34.612 0.942 ( -15.767 0.000 -5.265) 16.622 1.142 ( 0.589 0.000 -10.301) 10.317 1.207 ( 2.715 0.000 3.774) 4.649 1.262 ( 0.007 0.000 9.178) 9.178 1.449 ( -11.464 0.000 0.995) 11.507 1.574 ( -3.703 0.000 -1.307) 3.927 1.629 ( -15.492 0.000 7.111) 17.046 1.680 ( -5.175 0.000 -1.314) 5.339 1.702 ( -7.730 0.000 -3.969) 8.690 1.890 ( -0.099 0.000 -3.262) 3.263 1.903 ( 4.425 0.000 1.707) 4.743 2.025 ( 3.513 0.000 -1.083) 3.676 2.049 ( 2.074 0.000 -0.036) 2.074 2.090 ( -5.876 0.000 0.792) 5.929 2.108 ( -1.127 0.000 -0.580) 1.268 2.123 ( -0.408 0.000 0.826) 0.921 2.268 ( -13.885 0.000 -4.995) 14.756 2.313 ( 2.042 0.000 -0.013) 2.042 2.337 ( 9.169 0.000 5.295) 10.588 2.434 ( 13.078 0.000 -10.814) 16.970 2.604 ( 5.660 0.000 -0.073) 5.661 2.650 ( 8.739 0.000 -5.271) 10.205 2.972 ( 8.212 0.000 13.941) 16.180 3.031 ( 4.070 0.000 3.678) 5.485 3.309 ( -10.044 0.000 -9.067) 13.532 3.355 ( -10.091 0.000 0.677) 10.114 3.501 ( -11.302 0.000 5.797) 12.702 3.701 ( -1.341 0.000 4.636) 4.826 3.844 ( -8.232 0.000 -4.214) 9.248 4.000 ( -0.059 0.000 -0.951) 0.953 4.092 ( 2.342 0.000 -4.533) 5.103 4.223 ( 0.170 0.000 0.289) 0.335 4.319 ( 4.079 0.000 1.381) 4.307 4.815 ( 0.550 0.000 5.386) 5.414 4.933 ( -2.577 0.000 -0.030) 2.577 5.237 ( -1.304 0.000 7.126) 7.245 5.409 ( -6.249 0.000 -2.422) 6.701 5.603 ( 1.049 0.000 0.372) 1.113 5.653 ( 0.103 0.000 -3.414) 3.415 5.717 ( -1.656 0.000 4.370) 4.673 5.917 ( -2.079 0.000 -2.330) 3.123 5.948 ( 7.110 0.000 -4.416) 8.370 6.055 ( 1.235 0.000 0.277) 1.266 6.100 ( 1.374 0.000 3.971) 4.202 6.209 ( -4.301 0.000 -2.188) 4.826 6.218 ( 2.364 0.000 4.318) 4.923 6.331 ( 13.088 0.000 0.464) 13.097 6.386 ( -0.710 0.000 0.909) 1.153 6.464 ( -2.079 0.000 0.083) 2.081 6.473 ( 1.854 0.000 -2.135) 2.827 6.647 ( 3.766 0.000 -2.821) 4.706 6.682 ( 3.825 0.000 2.729) 4.699 6.715 ( 0.218 0.000 3.547) 3.554 6.793 ( 0.549 0.000 -2.378) 2.440 6.864 ( 1.144 0.000 0.019) 1.144 6.907 ( -1.528 0.000 -5.061) 5.286 6.954 ( -2.500 0.000 -0.193) 2.507 6.997 ( 0.357 0.000 1.701) 1.738 7.049 ( -1.107 0.000 -0.160) 1.118 7.168 ( 2.502 0.000 -7.796) 8.187 7.183 ( 1.005 0.000 -0.050) 1.006 7.239 ( -2.201 0.000 0.863) 2.364 7.303 ( -0.122 0.000 -1.524) 1.528 7.369 ( 0.979 0.000 0.088) 0.983 7.501 ( -2.157 0.000 2.816) 3.548 7.579 ( 1.570 0.000 -2.313) 2.796 7.660 ( 4.801 0.000 -6.871) 8.382 7.670 ( -0.706 0.000 0.476) 0.851 7.772 ( 1.389 0.000 1.447) 2.006 7.821 ( -0.818 0.000 0.662) 1.052 8.093 ( -8.838 0.000 1.296) 8.932 8.125 ( 5.466 0.000 3.175) 6.322 8.360 ( -8.849 0.000 -1.079) 8.915 8.412 ( -1.214 0.000 -0.812) 1.460 8.675 ( -0.728 0.000 -2.828) 2.920 8.772 ( 2.585 0.000 -0.020) 2.585 8.826 ( -0.743 0.000 7.029) 7.069 9.050 ( 3.488 0.000 -8.408) 9.103 9.157 ( 1.013 0.000 0.369) 1.078 9.356 ( -4.816 0.000 -0.531) 4.846 9.646 ( 3.821 0.000 1.426) 4.079 9.677 ( 5.345 0.000 -0.959) 5.430 9.825 ( 4.497 0.000 -4.195) 6.150 9.916 ( -0.838 0.000 -0.109) 0.845 10.118 ( -4.193 0.000 5.396) 6.834 10.250 ( -4.483 0.000 8.435) 9.552 10.657 ( -2.129 0.000 -0.503) 2.187 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -11.943 0.000 -1.208) 12.004 0.745 ( 9.658 0.000 -7.707) 12.357 0.790 ( 17.664 0.000 3.046) 17.925 1.104 ( -5.705 0.000 -3.910) 6.916 1.171 ( -8.675 0.000 -3.046) 9.194 1.256 ( -3.978 0.000 15.322) 15.830 1.305 ( 5.597 0.000 -1.996) 5.942 1.333 ( 1.003 0.000 5.824) 5.910 1.425 ( -9.813 0.000 -4.880) 10.960 1.513 ( -1.713 0.000 -0.625) 1.823 1.562 ( -4.546 0.000 -1.001) 4.655 1.724 ( -1.590 0.000 -5.122) 5.363 1.782 ( 13.115 0.000 5.594) 14.258 1.975 ( 0.599 0.000 0.586) 0.838 1.988 ( 3.023 0.000 0.619) 3.086 2.064 ( -0.579 0.000 -0.586) 0.824 2.083 ( 1.227 0.000 -0.701) 1.413 2.090 ( 0.574 0.000 0.388) 0.692 2.118 ( -0.409 0.000 0.407) 0.577 2.179 ( 4.231 0.000 0.290) 4.241 2.347 ( 1.002 0.000 -0.004) 1.002 2.513 ( -2.065 0.000 1.224) 2.400 2.662 ( 3.955 0.000 1.546) 4.247 2.723 ( -15.255 0.000 -0.401) 15.261 2.745 ( 12.154 0.000 -13.809) 18.396 2.802 ( -0.319 0.000 -8.375) 8.381 3.071 ( 0.725 0.000 3.629) 3.701 3.153 ( -2.843 0.000 12.546) 12.864 3.240 ( -6.109 0.000 11.063) 12.638 3.439 ( 0.466 0.000 -4.039) 4.066 3.569 ( -7.389 0.000 -5.382) 9.142 3.810 ( 4.770 0.000 -1.226) 4.925 3.946 ( -4.797 0.000 1.140) 4.930 4.110 ( 0.541 0.000 -1.600) 1.688 4.229 ( 0.227 0.000 0.037) 0.230 4.375 ( 1.185 0.000 0.479) 1.278 4.812 ( -1.108 0.000 0.348) 1.161 4.908 ( -0.127 0.000 0.776) 0.786 5.233 ( -0.373 0.000 1.514) 1.559 5.312 ( -2.209 0.000 -1.473) 2.655 5.626 ( 0.808 0.000 0.303) 0.863 5.653 ( 0.281 0.000 -0.539) 0.608 5.737 ( 1.120 0.000 1.220) 1.656 5.875 ( -1.197 0.000 -1.066) 1.603 6.079 ( 1.253 0.000 -0.011) 1.253 6.082 ( 5.563 0.000 -2.868) 6.259 6.130 ( -1.817 0.000 -1.007) 2.077 6.149 ( 0.539 0.000 3.214) 3.259 6.251 ( 0.320 0.000 2.418) 2.439 6.338 ( -1.782 0.000 -2.132) 2.779 6.407 ( -1.753 0.000 1.455) 2.278 6.530 ( 1.986 0.000 0.700) 2.106 6.573 ( 7.557 0.000 -0.597) 7.580 6.681 ( 0.766 0.000 -1.522) 1.704 6.732 ( 0.682 0.000 -0.677) 0.961 6.745 ( 1.662 0.000 0.809) 1.849 6.799 ( 0.371 0.000 -0.981) 1.049 6.876 ( -0.677 0.000 -0.044) 0.678 6.898 ( 0.747 0.000 -0.499) 0.899 6.906 ( -0.438 0.000 -0.300) 0.531 7.001 ( -1.068 0.000 2.567) 2.780 7.024 ( -0.519 0.000 -1.167) 1.277 7.029 ( -7.910 0.000 1.213) 8.002 7.200 ( 0.476 0.000 -0.026) 0.476 7.296 ( 3.237 0.000 -4.073) 5.203 7.298 ( 0.035 0.000 -1.129) 1.130 7.472 ( -1.100 0.000 1.406) 1.785 7.501 ( 9.937 0.000 4.211) 10.792 7.598 ( 0.818 0.000 -1.157) 1.417 7.657 ( -0.602 0.000 0.474) 0.766 7.699 ( -3.916 0.000 -5.297) 6.588 7.754 ( -1.182 0.000 0.245) 1.207 7.839 ( 0.625 0.000 3.248) 3.307 7.976 ( 0.964 0.000 0.284) 1.005 8.129 ( -10.617 0.000 -1.327) 10.699 8.224 ( 2.189 0.000 4.391) 4.907 8.468 ( 5.049 0.000 -0.385) 5.064 8.589 ( -5.748 0.000 -3.510) 6.735 8.806 ( 1.141 0.000 -1.695) 2.043 8.839 ( 0.016 0.000 2.512) 2.512 9.100 ( 2.407 0.000 -1.857) 3.040 9.167 ( -0.313 0.000 1.440) 1.474 9.277 ( -2.261 0.000 -0.954) 2.455 9.707 ( 1.571 0.000 1.236) 1.999 9.804 ( 5.533 0.000 -0.725) 5.581 9.890 ( 2.419 0.000 -1.798) 3.014 9.904 ( 0.153 0.000 -0.008) 0.153 10.030 ( -4.862 0.000 1.057) 4.976 10.194 ( -2.177 0.000 2.415) 3.252 10.615 ( -1.399 0.000 -0.306) 1.432 ======================= Grid point 5 (4/56) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 0.000 19.959 0.000) 19.959 0.468 ( 0.000 23.642 0.000) 23.642 0.816 ( 0.000 41.524 0.000) 41.524 1.144 ( 0.000 0.114 0.000) 0.114 1.190 ( 0.000 -4.239 0.000) 4.239 1.290 ( 0.000 11.938 0.000) 11.938 1.313 ( 0.000 5.130 0.000) 5.130 1.560 ( 0.000 -3.654 0.000) 3.654 1.700 ( 0.000 9.278 0.000) 9.278 1.721 ( 0.000 5.864 0.000) 5.864 1.774 ( 0.000 4.267 0.000) 4.267 1.923 ( 0.000 2.360 0.000) 2.360 1.962 ( 0.000 8.869 0.000) 8.869 1.987 ( 0.000 10.351 0.000) 10.351 2.079 ( 0.000 7.501 0.000) 7.501 2.156 ( 0.000 12.731 0.000) 12.731 2.168 ( 0.000 2.422 0.000) 2.422 2.210 ( 0.000 9.537 0.000) 9.537 2.234 ( 0.000 7.853 0.000) 7.853 2.235 ( 0.000 5.348 0.000) 5.348 2.404 ( 0.000 11.443 0.000) 11.443 2.452 ( 0.000 2.196 0.000) 2.196 2.496 ( 0.000 10.388 0.000) 10.388 2.541 ( 0.000 4.549 0.000) 4.549 2.658 ( 0.000 3.870 0.000) 3.870 2.886 ( 0.000 5.502 0.000) 5.502 2.889 ( 0.000 0.247 0.000) 0.247 3.290 ( 0.000 0.292 0.000) 0.292 3.584 ( 0.000 -2.608 0.000) 2.608 3.638 ( 0.000 -0.049 0.000) 0.049 3.718 ( 0.000 -2.714 0.000) 2.714 3.850 ( 0.000 -4.002 0.000) 4.002 3.979 ( 0.000 -2.555 0.000) 2.555 4.056 ( 0.000 -1.356 0.000) 1.356 4.185 ( 0.000 -3.405 0.000) 3.405 4.225 ( 0.000 -2.806 0.000) 2.806 4.755 ( 0.000 -2.348 0.000) 2.348 4.898 ( 0.000 -6.829 0.000) 6.829 5.171 ( 0.000 -1.030 0.000) 1.030 5.352 ( 0.000 -10.451 0.000) 10.451 5.605 ( 0.000 -6.838 0.000) 6.838 5.617 ( 0.000 -1.650 0.000) 1.650 5.879 ( 0.000 -2.365 0.000) 2.365 5.958 ( 0.000 -3.790 0.000) 3.790 6.028 ( 0.000 -0.425 0.000) 0.425 6.087 ( 0.000 4.737 0.000) 4.737 6.159 ( 0.000 7.572 0.000) 7.572 6.176 ( 0.000 7.683 0.000) 7.683 6.213 ( 0.000 3.920 0.000) 3.920 6.369 ( 0.000 4.002 0.000) 4.002 6.429 ( 0.000 8.792 0.000) 8.792 6.520 ( 0.000 3.310 0.000) 3.310 6.552 ( 0.000 -3.196 0.000) 3.196 6.558 ( 0.000 5.918 0.000) 5.918 6.659 ( 0.000 3.442 0.000) 3.442 6.807 ( 0.000 1.477 0.000) 1.477 6.815 ( 0.000 -2.650 0.000) 2.650 6.855 ( 0.000 -0.278 0.000) 0.278 6.916 ( 0.000 -1.624 0.000) 1.624 7.003 ( 0.000 2.578 0.000) 2.578 7.058 ( 0.000 1.152 0.000) 1.152 7.091 ( 0.000 2.503 0.000) 2.503 7.164 ( 0.000 2.718 0.000) 2.718 7.184 ( 0.000 -1.553 0.000) 1.553 7.271 ( 0.000 8.029 0.000) 8.029 7.403 ( 0.000 4.936 0.000) 4.936 7.429 ( 0.000 0.858 0.000) 0.858 7.505 ( 0.000 1.799 0.000) 1.799 7.555 ( 0.000 -0.234 0.000) 0.234 7.682 ( 0.000 0.578 0.000) 0.578 7.766 ( 0.000 1.014 0.000) 1.014 7.826 ( 0.000 -0.830 0.000) 0.830 7.832 ( 0.000 1.097 0.000) 1.097 8.091 ( 0.000 3.636 0.000) 3.636 8.380 ( 0.000 0.085 0.000) 0.085 8.410 ( 0.000 2.085 0.000) 2.085 8.567 ( 0.000 -0.947 0.000) 0.947 8.592 ( 0.000 -2.894 0.000) 2.894 8.714 ( 0.000 -2.294 0.000) 2.294 8.960 ( 0.000 -1.133 0.000) 1.133 9.111 ( 0.000 -2.844 0.000) 2.844 9.156 ( 0.000 -1.800 0.000) 1.800 9.393 ( 0.000 -2.971 0.000) 2.971 9.464 ( 0.000 -1.465 0.000) 1.465 9.557 ( 0.000 -3.757 0.000) 3.757 9.620 ( 0.000 -3.098 0.000) 3.098 9.773 ( 0.000 -4.154 0.000) 4.154 9.898 ( 0.000 -2.765 0.000) 2.765 10.238 ( 0.000 -3.721 0.000) 3.721 10.647 ( 0.000 -3.427 0.000) 3.427 ======================= Grid point 6 (5/56) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 12.382 13.819 -0.463) 18.561 0.650 ( 15.459 16.302 0.739) 22.478 0.903 ( -16.686 1.090 -1.254) 16.769 1.141 ( 19.379 22.361 3.632) 29.812 1.216 ( 6.236 4.219 2.483) 7.928 1.291 ( 2.925 11.540 -9.839) 15.444 1.424 ( 2.570 11.533 4.590) 12.676 1.460 ( -6.543 1.888 3.186) 7.519 1.644 ( -3.310 6.366 1.276) 7.288 1.663 ( -5.839 6.352 1.070) 8.694 1.713 ( -7.403 3.862 -4.150) 9.325 1.823 ( -8.968 7.752 2.812) 12.183 1.903 ( -2.334 6.051 -0.651) 6.518 1.998 ( 1.142 7.981 1.564) 8.212 2.057 ( -3.441 2.688 -2.068) 4.831 2.131 ( -1.463 6.108 -0.231) 6.285 2.169 ( -0.674 7.375 0.925) 7.463 2.202 ( -0.072 8.588 -2.417) 8.922 2.226 ( -0.924 9.633 0.760) 9.707 2.317 ( -7.081 6.874 -2.541) 10.191 2.369 ( 4.507 4.556 5.078) 8.176 2.410 ( -0.191 8.818 -0.764) 8.853 2.539 ( 10.383 9.484 -4.020) 14.626 2.627 ( 8.697 3.204 -4.954) 10.509 2.684 ( 6.791 3.799 -7.891) 11.082 3.003 ( 7.052 2.531 15.944) 17.617 3.038 ( 4.663 1.508 2.324) 5.424 3.309 ( -5.209 0.261 -8.342) 9.839 3.355 ( -13.915 0.158 0.411) 13.922 3.484 ( -10.864 -1.448 5.608) 12.311 3.677 ( -1.259 -2.139 4.741) 5.352 3.820 ( -6.689 -2.131 -3.945) 8.053 3.970 ( -0.165 -2.948 -0.986) 3.113 4.070 ( 1.897 -2.213 -4.776) 5.596 4.196 ( 0.292 -2.678 0.312) 2.712 4.284 ( 4.065 -3.275 1.529) 5.440 4.772 ( 0.021 -4.022 1.909) 4.452 4.872 ( -1.298 -5.519 0.120) 5.671 5.177 ( 0.252 -2.617 0.708) 2.723 5.311 ( -2.807 -6.983 -1.169) 7.617 5.584 ( 0.519 -3.755 -2.415) 4.495 5.638 ( -0.029 -1.755 4.836) 5.144 5.909 ( 2.468 0.952 -4.270) 5.023 5.945 ( 0.996 7.799 0.599) 7.885 6.060 ( 0.311 3.707 -3.240) 4.934 6.102 ( 1.318 4.200 -0.149) 4.404 6.148 ( 1.961 1.928 3.896) 4.769 6.213 ( 1.663 7.733 2.193) 8.208 6.254 ( 0.310 1.874 -0.983) 2.139 6.349 ( 2.177 3.149 2.624) 4.642 6.436 ( -1.683 -0.715 1.891) 2.630 6.460 ( -3.850 6.093 -3.101) 7.846 6.561 ( 2.713 5.338 -1.311) 6.130 6.610 ( 3.332 -2.941 -1.880) 4.826 6.719 ( 3.674 3.679 3.220) 6.116 6.758 ( -1.374 -0.336 0.259) 1.438 6.827 ( -1.602 4.399 1.652) 4.964 6.857 ( 1.622 0.943 2.024) 2.760 6.913 ( -0.008 -0.497 -1.759) 1.828 6.990 ( -3.386 3.553 -2.902) 5.702 7.011 ( -1.486 1.995 0.404) 2.521 7.039 ( -1.350 1.418 -0.193) 1.968 7.197 ( 0.664 -0.646 -2.556) 2.719 7.215 ( 2.202 0.277 -3.135) 3.841 7.257 ( -0.348 6.416 -1.375) 6.571 7.299 ( -5.521 2.292 1.178) 6.093 7.413 ( -0.662 0.850 2.534) 2.754 7.515 ( -1.256 1.453 1.727) 2.583 7.593 ( 4.028 2.795 -1.782) 5.217 7.669 ( -1.311 0.183 0.663) 1.480 7.747 ( -2.683 4.664 -2.410) 5.895 7.787 ( -0.020 -0.028 -2.318) 2.318 7.827 ( 1.443 1.468 1.588) 2.599 8.149 ( 3.843 2.552 5.984) 7.556 8.185 ( -10.773 6.362 -4.344) 13.244 8.378 ( -7.231 1.663 -2.462) 7.818 8.420 ( -2.034 0.822 0.166) 2.200 8.660 ( 0.643 -1.871 -2.886) 3.499 8.750 ( 2.547 -2.275 -1.079) 3.581 8.852 ( -5.308 2.048 8.582) 10.297 9.035 ( 2.649 -1.470 -10.318) 10.753 9.126 ( 0.867 -2.926 1.468) 3.386 9.328 ( -4.811 -2.808 -0.093) 5.571 9.607 ( 4.254 -3.948 0.362) 5.815 9.641 ( 4.717 -3.501 -0.345) 5.884 9.768 ( 5.810 -5.974 -3.797) 9.158 9.878 ( 0.069 -6.022 2.326) 6.456 9.922 ( 4.536 -10.215 7.953) 13.717 10.204 ( -3.017 -3.678 1.248) 4.919 10.624 ( -1.974 -3.211 -0.328) 3.783 ======================= Grid point 7 (6/56) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -9.302 9.357 -0.118) 13.195 0.778 ( 8.166 5.588 -4.087) 10.706 0.982 ( 15.409 13.430 0.749) 20.454 1.187 ( -6.525 4.334 5.674) 9.672 1.292 ( 3.437 3.796 -4.127) 6.576 1.310 ( 2.191 11.098 -2.696) 11.629 1.396 ( -10.175 11.582 1.903) 15.534 1.463 ( -6.763 6.439 -1.625) 9.479 1.536 ( -0.882 15.257 5.109) 16.114 1.604 ( -1.844 6.440 1.054) 6.782 1.682 ( -1.536 10.473 -0.402) 10.593 1.779 ( -5.765 6.597 -2.736) 9.179 1.867 ( 7.363 9.179 1.602) 11.876 1.999 ( 10.131 5.490 2.688) 11.832 2.056 ( 2.031 5.256 -0.021) 5.635 2.097 ( 0.881 2.925 -2.266) 3.804 2.129 ( 0.422 6.119 -0.480) 6.152 2.180 ( 0.173 7.094 0.846) 7.146 2.210 ( -0.828 11.309 -0.465) 11.349 2.272 ( 2.543 8.979 0.851) 9.371 2.421 ( -0.061 7.292 0.210) 7.296 2.534 ( 1.073 2.225 2.816) 3.746 2.677 ( 2.580 1.659 0.650) 3.136 2.755 ( -12.432 3.469 -1.320) 12.974 2.801 ( -8.064 3.446 -4.899) 10.045 2.849 ( 15.761 6.837 -17.683) 24.654 3.070 ( 0.900 -0.101 3.725) 3.834 3.179 ( -6.202 2.640 12.936) 14.587 3.250 ( -3.388 1.354 11.545) 12.108 3.416 ( 0.804 -2.196 -3.873) 4.525 3.562 ( -6.789 -0.462 -4.876) 8.371 3.799 ( 5.026 -1.036 -1.746) 5.421 3.916 ( -4.985 -2.908 1.402) 5.938 4.081 ( 0.391 -2.910 -1.831) 3.460 4.202 ( 0.203 -2.601 0.081) 2.610 4.344 ( 1.382 -2.923 0.470) 3.267 4.747 ( -1.355 -5.924 -0.306) 6.085 4.879 ( 0.713 -2.784 0.841) 2.995 5.182 ( 0.074 -3.250 0.395) 3.275 5.264 ( -1.221 -4.228 -0.852) 4.482 5.601 ( 1.003 -3.338 -0.727) 3.561 5.656 ( 0.415 0.033 1.966) 2.010 5.890 ( -0.371 12.520 -1.245) 12.587 6.010 ( -1.092 9.317 -1.372) 9.481 6.080 ( 5.378 1.195 -0.897) 5.581 6.139 ( 2.264 3.921 0.502) 4.556 6.201 ( -1.088 4.578 -1.205) 4.858 6.224 ( 1.306 1.162 3.304) 3.738 6.239 ( 0.533 4.080 3.016) 5.102 6.339 ( -5.428 3.396 -4.683) 7.933 6.428 ( 0.398 1.293 0.725) 1.535 6.441 ( 2.285 -4.624 2.265) 5.633 6.608 ( 1.183 0.583 0.210) 1.335 6.657 ( 1.999 -1.643 -2.188) 3.388 6.763 ( 0.772 -2.530 0.105) 2.647 6.797 ( 2.721 5.598 1.388) 6.377 6.821 ( 1.147 6.548 -1.396) 6.793 6.886 ( 0.265 1.995 1.074) 2.282 6.913 ( 0.245 1.142 -1.473) 1.880 6.935 ( -1.023 0.928 0.135) 1.388 6.966 ( -2.012 -0.930 0.919) 2.400 7.014 ( -3.860 1.689 0.280) 4.222 7.082 ( -3.712 2.506 0.536) 4.511 7.234 ( 0.705 -4.209 -1.296) 4.460 7.247 ( -0.233 4.990 -0.265) 5.003 7.338 ( 3.045 3.367 -3.886) 5.976 7.424 ( 0.166 -3.011 2.285) 3.783 7.534 ( 4.065 0.692 2.203) 4.675 7.625 ( -3.029 0.294 1.681) 3.477 7.663 ( 2.773 4.200 -0.402) 5.049 7.731 ( -1.026 2.535 -4.685) 5.425 7.755 ( -1.225 -0.291 -0.614) 1.401 7.858 ( 0.013 1.593 3.480) 3.827 8.030 ( -2.222 3.569 -1.377) 4.424 8.183 ( -7.604 5.471 -0.766) 9.399 8.240 ( 2.099 1.546 4.243) 4.980 8.473 ( 4.862 0.535 0.194) 4.895 8.591 ( -5.340 -0.051 -3.761) 6.531 8.783 ( 1.205 -2.122 -1.624) 2.932 8.828 ( -0.479 -1.064 2.938) 3.161 9.064 ( 1.407 -3.719 -2.656) 4.782 9.149 ( 0.790 -1.581 2.203) 2.824 9.246 ( -2.580 -2.928 -0.967) 4.021 9.674 ( 1.651 -3.283 1.048) 3.821 9.752 ( 5.525 -5.295 -1.147) 7.738 9.838 ( 1.984 -5.309 -1.728) 5.925 9.859 ( -1.384 -4.924 0.647) 5.156 9.950 ( -1.541 -6.480 1.982) 6.949 10.155 ( -1.718 -3.529 1.020) 4.055 10.586 ( -1.294 -2.876 -0.212) 3.161 ======================= Grid point 10 (7/56) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 20.791 0.000) 20.791 0.899 ( 0.000 19.392 0.000) 19.392 1.166 ( 0.000 3.000 0.000) 3.000 1.197 ( 0.000 6.469 0.000) 6.469 1.449 ( 0.000 9.397 0.000) 9.397 1.557 ( 0.000 14.447 0.000) 14.447 1.558 ( 0.000 3.208 0.000) 3.208 1.607 ( 0.000 37.961 0.000) 37.961 1.848 ( 0.000 8.376 0.000) 8.376 1.870 ( 0.000 5.299 0.000) 5.299 1.912 ( 0.000 9.376 0.000) 9.376 1.995 ( 0.000 5.908 0.000) 5.908 2.151 ( 0.000 4.094 0.000) 4.094 2.152 ( 0.000 8.302 0.000) 8.302 2.213 ( 0.000 7.840 0.000) 7.840 2.218 ( 0.000 3.415 0.000) 3.415 2.338 ( 0.000 4.520 0.000) 4.520 2.427 ( 0.000 12.479 0.000) 12.479 2.471 ( 0.000 15.986 0.000) 15.986 2.491 ( 0.000 1.931 0.000) 1.931 2.497 ( 0.000 18.456 0.000) 18.456 2.697 ( 0.000 10.159 0.000) 10.159 2.709 ( 0.000 19.113 0.000) 19.113 2.775 ( 0.000 14.848 0.000) 14.848 2.781 ( 0.000 8.552 0.000) 8.552 2.924 ( 0.000 6.031 0.000) 6.031 3.049 ( 0.000 10.591 0.000) 10.591 3.330 ( 0.000 5.199 0.000) 5.199 3.503 ( 0.000 -5.879 0.000) 5.879 3.638 ( 0.000 0.023 0.000) 0.023 3.649 ( 0.000 -3.912 0.000) 3.912 3.741 ( 0.000 -6.766 0.000) 6.766 3.916 ( 0.000 -3.640 0.000) 3.640 4.040 ( 0.000 0.365 0.000) 0.365 4.089 ( 0.000 -6.182 0.000) 6.182 4.154 ( 0.000 -4.278 0.000) 4.278 4.696 ( 0.000 -3.514 0.000) 3.514 4.732 ( 0.000 -8.885 0.000) 8.885 5.148 ( 0.000 -1.142 0.000) 1.142 5.204 ( 0.000 -4.699 0.000) 4.699 5.501 ( 0.000 -3.697 0.000) 3.697 5.620 ( 0.000 1.440 0.000) 1.440 5.831 ( 0.000 -2.213 0.000) 2.213 5.851 ( 0.000 -6.683 0.000) 6.683 5.992 ( 0.000 -1.862 0.000) 1.862 6.134 ( 0.000 -1.896 0.000) 1.896 6.215 ( 0.000 5.645 0.000) 5.645 6.295 ( 0.000 5.074 0.000) 5.074 6.389 ( 0.000 2.455 0.000) 2.455 6.453 ( 0.000 3.366 0.000) 3.366 6.480 ( 0.000 -3.214 0.000) 3.214 6.508 ( 0.000 6.859 0.000) 6.859 6.685 ( 0.000 4.898 0.000) 4.898 6.695 ( 0.000 4.377 0.000) 4.377 6.716 ( 0.000 5.222 0.000) 5.222 6.799 ( 0.000 2.356 0.000) 2.356 6.808 ( 0.000 1.019 0.000) 1.019 6.853 ( 0.000 -0.368 0.000) 0.368 6.951 ( 0.000 3.884 0.000) 3.884 7.052 ( 0.000 1.334 0.000) 1.334 7.115 ( 0.000 5.169 0.000) 5.169 7.118 ( 0.000 2.218 0.000) 2.218 7.216 ( 0.000 2.571 0.000) 2.571 7.228 ( 0.000 5.304 0.000) 5.304 7.452 ( 0.000 1.962 0.000) 1.962 7.458 ( 0.000 8.490 0.000) 8.490 7.475 ( 0.000 3.885 0.000) 3.885 7.542 ( 0.000 1.337 0.000) 1.337 7.558 ( 0.000 0.603 0.000) 0.603 7.704 ( 0.000 1.838 0.000) 1.838 7.761 ( 0.000 -1.537 0.000) 1.537 7.837 ( 0.000 2.134 0.000) 2.134 7.859 ( 0.000 1.696 0.000) 1.696 8.187 ( 0.000 5.825 0.000) 5.825 8.374 ( 0.000 -1.087 0.000) 1.087 8.443 ( 0.000 -0.250 0.000) 0.250 8.523 ( 0.000 -2.858 0.000) 2.858 8.540 ( 0.000 -1.740 0.000) 1.740 8.650 ( 0.000 -4.108 0.000) 4.108 8.935 ( 0.000 -1.207 0.000) 1.207 9.037 ( 0.000 -4.511 0.000) 4.511 9.107 ( 0.000 -3.253 0.000) 3.253 9.314 ( 0.000 -4.910 0.000) 4.910 9.423 ( 0.000 -2.734 0.000) 2.734 9.457 ( 0.000 -6.201 0.000) 6.201 9.536 ( 0.000 -5.449 0.000) 5.449 9.663 ( 0.000 -6.640 0.000) 6.640 9.829 ( 0.000 -3.986 0.000) 3.986 10.150 ( 0.000 -4.759 0.000) 4.759 10.560 ( 0.000 -5.268 0.000) 5.268 ======================= Grid point 11 (8/56) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 6.146 17.455 0.671) 18.517 0.955 ( 1.351 11.799 1.872) 12.022 1.040 ( -3.045 14.391 -0.804) 14.732 1.253 ( 3.563 4.904 -2.017) 6.388 1.447 ( -8.652 5.697 2.606) 10.682 1.488 ( 5.254 8.798 -9.951) 14.284 1.658 ( 5.734 12.046 6.140) 14.686 1.750 ( -1.129 11.271 -0.451) 11.336 1.803 ( -0.575 14.977 -0.589) 15.000 1.850 ( 4.875 18.574 -1.341) 19.250 1.861 ( -3.892 9.992 3.084) 11.158 1.975 ( -4.164 9.748 3.612) 11.198 2.059 ( -1.410 5.468 3.612) 6.703 2.138 ( -4.641 6.291 0.991) 7.880 2.175 ( -0.025 7.832 -1.260) 7.932 2.222 ( -3.476 5.498 -1.854) 6.764 2.295 ( -1.798 3.639 -2.542) 4.789 2.421 ( -1.952 13.670 -2.083) 13.965 2.443 ( 0.766 9.308 0.368) 9.347 2.508 ( 3.003 12.853 3.413) 13.633 2.592 ( -3.112 14.698 -0.175) 15.025 2.655 ( 4.406 13.692 -2.195) 14.550 2.699 ( 0.362 13.986 3.243) 14.362 2.786 ( 3.059 8.918 -2.259) 9.695 2.849 ( 9.267 14.178 -15.883) 23.220 3.024 ( 3.961 1.277 6.999) 8.143 3.131 ( 4.059 6.407 7.445) 10.628 3.347 ( -0.775 4.612 -2.470) 5.289 3.358 ( -14.366 -0.195 -0.984) 14.401 3.462 ( -7.757 0.144 4.630) 9.035 3.630 ( -2.766 -2.308 4.479) 5.748 3.772 ( -1.229 -2.467 -1.581) 3.177 3.892 ( -0.944 -4.714 -2.618) 5.474 4.014 ( 0.003 -3.337 -4.715) 5.776 4.125 ( 0.741 -4.355 0.494) 4.445 4.206 ( 4.181 -4.226 1.708) 6.185 4.662 ( -2.579 -6.694 -0.834) 7.222 4.762 ( 2.269 -5.180 1.282) 5.799 5.141 ( -0.411 -1.173 -0.219) 1.262 5.195 ( -0.941 -4.689 -0.244) 4.788 5.515 ( 1.554 -2.633 -0.384) 3.081 5.635 ( 0.828 1.007 2.401) 2.732 5.865 ( 5.289 -2.809 -1.180) 6.104 5.952 ( 6.864 -6.003 -0.565) 9.136 6.045 ( 5.114 -2.066 -3.307) 6.431 6.149 ( 0.547 -0.899 2.282) 2.512 6.231 ( 1.296 6.495 -0.594) 6.650 6.280 ( -1.366 3.064 0.866) 3.465 6.395 ( 0.699 -0.884 2.002) 2.297 6.430 ( -2.201 4.905 0.484) 5.398 6.453 ( -2.587 4.632 -0.430) 5.323 6.527 ( 0.729 2.491 0.621) 2.669 6.634 ( -0.496 4.295 -5.118) 6.700 6.689 ( -1.286 8.264 0.093) 8.364 6.726 ( -1.497 -1.177 0.124) 1.909 6.782 ( 2.971 1.174 3.278) 4.577 6.878 ( 2.016 0.126 0.860) 2.196 6.895 ( 3.814 4.467 2.695) 6.463 6.954 ( 0.335 3.438 -1.155) 3.643 7.054 ( -0.335 1.317 0.278) 1.387 7.055 ( -2.395 4.096 -1.017) 4.853 7.129 ( -1.983 6.483 -2.282) 7.153 7.185 ( -4.456 3.240 0.436) 5.526 7.268 ( 2.558 2.655 -2.016) 4.202 7.322 ( -4.410 1.345 -1.562) 4.868 7.418 ( -2.693 3.950 0.936) 4.871 7.446 ( -2.294 7.194 1.922) 7.792 7.528 ( -1.475 0.403 0.472) 1.600 7.666 ( 4.103 2.378 -0.499) 4.768 7.695 ( 0.440 3.034 2.066) 3.697 7.760 ( -0.268 -1.361 -1.472) 2.022 7.814 ( -2.852 2.622 0.294) 3.885 7.866 ( 1.838 1.991 -1.211) 2.968 8.213 ( -0.167 3.030 5.485) 6.269 8.261 ( -7.354 1.846 -2.619) 8.022 8.420 ( -1.255 2.190 -5.365) 5.929 8.436 ( -4.044 0.573 3.024) 5.082 8.601 ( 2.091 -3.842 -2.546) 5.061 8.689 ( 2.823 -3.739 -1.123) 4.818 8.877 ( -7.303 0.256 9.557) 12.031 8.995 ( -0.761 -2.663 -12.441) 12.745 9.059 ( 1.592 -3.471 1.716) 4.186 9.255 ( -4.599 -4.460 1.556) 6.593 9.496 ( 4.239 -7.178 -1.461) 8.463 9.553 ( 4.586 -5.241 0.529) 6.984 9.611 ( 6.020 -8.686 0.688) 10.591 9.696 ( 1.623 -8.926 3.025) 9.563 9.832 ( 0.471 -3.779 0.611) 3.857 10.121 ( -2.469 -4.418 -0.070) 5.062 10.542 ( -1.548 -4.984 -0.167) 5.221 ======================= Grid point 12 (9/56) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -4.340 14.660 -0.632) 15.302 0.956 ( 2.291 12.124 0.739) 12.361 1.220 ( 12.760 10.492 0.048) 16.520 1.312 ( -0.084 4.951 0.439) 4.972 1.333 ( 0.490 8.229 0.951) 8.298 1.563 ( -2.889 9.812 -5.335) 11.536 1.604 ( -1.698 10.822 -3.719) 11.568 1.643 ( -7.644 9.943 1.411) 12.620 1.731 ( -3.019 7.408 0.793) 8.038 1.787 ( -1.544 9.487 1.000) 9.664 1.887 ( 0.665 10.116 6.584) 12.088 2.009 ( -4.052 9.840 3.209) 11.115 2.049 ( -3.363 11.986 -2.213) 12.644 2.132 ( -0.002 4.072 -1.294) 4.273 2.172 ( 0.171 6.114 -0.721) 6.159 2.259 ( -0.116 6.803 -1.783) 7.034 2.307 ( 19.032 17.100 1.961) 25.661 2.392 ( -0.317 14.240 -0.732) 14.263 2.473 ( 3.141 11.009 -0.731) 11.472 2.554 ( 0.041 19.642 -0.154) 19.642 2.581 ( 0.795 7.031 3.209) 7.769 2.655 ( -1.656 14.539 3.465) 15.037 2.762 ( 1.301 9.140 -2.136) 9.476 2.840 ( 2.217 4.521 -4.801) 6.957 2.912 ( -19.966 9.783 -2.561) 22.381 3.041 ( 12.328 9.570 -13.274) 20.488 3.068 ( 0.645 1.717 2.777) 3.328 3.238 ( -3.495 1.849 9.184) 9.999 3.306 ( -3.078 4.884 9.863) 11.428 3.395 ( -1.922 2.144 -2.061) 3.542 3.566 ( -1.956 1.316 0.093) 2.359 3.770 ( 2.135 -2.000 -4.772) 5.597 3.850 ( -2.745 -2.958 2.535) 4.766 4.004 ( -0.080 -4.738 -2.232) 5.238 4.133 ( 0.132 -4.400 0.250) 4.409 4.273 ( 1.735 -4.074 0.394) 4.446 4.617 ( -1.240 -6.704 -0.575) 6.842 4.806 ( 1.308 -4.487 0.664) 4.721 5.137 ( -0.022 -1.371 0.015) 1.372 5.173 ( -0.788 -4.494 -0.276) 4.571 5.547 ( 1.185 -1.997 -0.130) 2.325 5.659 ( 0.720 0.708 1.225) 1.588 5.979 ( 4.734 -1.396 -2.660) 5.606 6.081 ( 4.874 -5.177 1.075) 7.191 6.124 ( 0.710 -4.802 1.412) 5.055 6.148 ( 1.679 4.096 -2.270) 4.975 6.248 ( -0.063 5.551 -0.876) 5.620 6.278 ( 0.361 -2.280 1.756) 2.900 6.356 ( -3.378 4.050 0.047) 5.274 6.371 ( -3.151 5.092 1.482) 6.169 6.456 ( 2.127 3.201 0.253) 3.852 6.522 ( -0.922 7.480 -0.577) 7.559 6.649 ( 2.356 2.409 -3.688) 4.995 6.681 ( -0.430 5.911 2.380) 6.387 6.705 ( -0.440 -2.036 -0.211) 2.093 6.855 ( 2.853 -1.255 2.875) 4.240 6.922 ( 1.940 1.706 -0.595) 2.651 6.943 ( -0.798 1.953 -1.602) 2.649 6.953 ( 0.733 5.684 3.886) 6.924 7.003 ( -3.328 5.301 1.022) 6.342 7.024 ( -3.308 5.924 -3.900) 7.826 7.060 ( -2.741 3.081 -1.142) 4.279 7.124 ( 3.080 3.388 -0.018) 4.579 7.206 ( -3.574 3.308 -0.263) 4.877 7.369 ( -1.043 -0.993 2.086) 2.535 7.394 ( -0.326 6.064 -0.668) 6.109 7.396 ( 1.313 3.326 -2.510) 4.369 7.546 ( 3.020 1.486 1.142) 3.554 7.639 ( -3.332 2.025 1.888) 4.332 7.724 ( -0.598 -1.366 -0.022) 1.491 7.766 ( -1.377 2.609 0.067) 2.951 7.798 ( 3.890 4.934 -2.803) 6.880 7.885 ( -0.507 1.072 1.292) 1.754 8.081 ( -5.024 1.709 -1.051) 5.409 8.282 ( 1.219 2.852 4.104) 5.144 8.307 ( -3.531 6.086 -1.886) 7.284 8.482 ( 3.891 -0.018 1.305) 4.104 8.574 ( -3.345 -1.868 -3.864) 5.441 8.733 ( 1.648 -2.858 -1.468) 3.611 8.802 ( -2.132 -1.442 3.813) 4.601 8.965 ( -0.343 -5.817 -3.255) 6.675 9.110 ( 2.707 -2.532 1.398) 3.962 9.176 ( -3.376 -3.804 0.235) 5.091 9.582 ( 3.427 -6.922 -0.073) 7.724 9.613 ( 1.941 -7.440 -1.256) 7.791 9.683 ( 0.291 -9.963 0.765) 9.997 9.713 ( 0.458 -9.004 0.497) 9.030 9.848 ( 0.498 -4.122 0.782) 4.225 10.076 ( -1.486 -4.090 0.074) 4.352 10.512 ( -1.017 -4.486 -0.103) 4.601 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.000 14.606 0.000) 14.606 1.183 ( 0.000 14.514 0.000) 14.514 1.294 ( 0.000 9.135 0.000) 9.135 1.435 ( 0.000 16.193 0.000) 16.193 1.650 ( 0.000 7.867 0.000) 7.867 1.685 ( 0.000 12.018 0.000) 12.018 1.823 ( 0.000 12.715 0.000) 12.715 1.956 ( 0.000 4.987 0.000) 4.987 1.986 ( 0.000 6.729 0.000) 6.729 2.022 ( 0.000 4.067 0.000) 4.067 2.127 ( 0.000 8.032 0.000) 8.032 2.198 ( 0.000 1.773 0.000) 1.773 2.243 ( 0.000 3.902 0.000) 3.902 2.294 ( 0.000 7.487 0.000) 7.487 2.342 ( 0.000 4.667 0.000) 4.667 2.375 ( 0.000 19.230 0.000) 19.230 2.433 ( 0.000 13.512 0.000) 13.512 2.540 ( 0.000 4.072 0.000) 4.072 2.641 ( 0.000 8.566 0.000) 8.566 2.753 ( 0.000 11.932 0.000) 11.932 2.814 ( 0.000 8.553 0.000) 8.553 2.876 ( 0.000 7.111 0.000) 7.111 2.916 ( 0.000 3.783 0.000) 3.783 2.927 ( 0.000 10.869 0.000) 10.869 3.135 ( 0.000 20.824 0.000) 20.824 3.227 ( 0.000 18.569 0.000) 18.569 3.297 ( 0.000 14.419 0.000) 14.419 3.367 ( 0.000 -7.035 0.000) 7.035 3.461 ( 0.000 1.109 0.000) 1.109 3.593 ( 0.000 -0.275 0.000) 0.275 3.642 ( 0.000 1.248 0.000) 1.248 3.675 ( 0.000 6.501 0.000) 6.501 3.857 ( 0.000 -1.478 0.000) 1.478 3.961 ( 0.000 -6.184 0.000) 6.184 4.067 ( 0.000 -4.372 0.000) 4.372 4.094 ( 0.000 5.432 0.000) 5.432 4.586 ( 0.000 -5.838 0.000) 5.838 4.627 ( 0.000 -3.425 0.000) 3.425 5.131 ( 0.000 -0.567 0.000) 0.567 5.146 ( 0.000 -1.738 0.000) 1.738 5.459 ( 0.000 -0.704 0.000) 0.704 5.667 ( 0.000 3.302 0.000) 3.302 5.722 ( 0.000 -6.027 0.000) 6.027 5.802 ( 0.000 -0.664 0.000) 0.664 5.970 ( 0.000 -0.338 0.000) 0.338 6.086 ( 0.000 -2.348 0.000) 2.348 6.318 ( 0.000 -0.347 0.000) 0.347 6.354 ( 0.000 0.340 0.000) 0.340 6.361 ( 0.000 2.065 0.000) 2.065 6.423 ( 0.000 -0.515 0.000) 0.515 6.507 ( 0.000 1.111 0.000) 1.111 6.643 ( 0.000 1.834 0.000) 1.834 6.710 ( 0.000 0.919 0.000) 0.919 6.734 ( 0.000 1.900 0.000) 1.900 6.739 ( 0.000 1.097 0.000) 1.097 6.831 ( 0.000 -1.417 0.000) 1.417 6.898 ( 0.000 5.589 0.000) 5.589 6.951 ( 0.000 8.369 0.000) 8.369 7.008 ( 0.000 2.564 0.000) 2.564 7.061 ( 0.000 0.209 0.000) 0.209 7.184 ( 0.000 3.662 0.000) 3.662 7.243 ( 0.000 5.710 0.000) 5.710 7.266 ( 0.000 3.154 0.000) 3.154 7.341 ( 0.000 5.406 0.000) 5.406 7.507 ( 0.000 1.399 0.000) 1.399 7.507 ( 0.000 3.009 0.000) 3.009 7.550 ( 0.000 0.087 0.000) 0.087 7.558 ( 0.000 -0.161 0.000) 0.161 7.631 ( 0.000 5.414 0.000) 5.414 7.736 ( 0.000 -0.559 0.000) 0.559 7.770 ( 0.000 5.624 0.000) 5.624 7.883 ( 0.000 2.103 0.000) 2.103 7.906 ( 0.000 3.368 0.000) 3.368 8.282 ( 0.000 1.370 0.000) 1.370 8.320 ( 0.000 -4.677 0.000) 4.677 8.378 ( 0.000 -2.538 0.000) 2.538 8.505 ( 0.000 -2.140 0.000) 2.140 8.522 ( 0.000 1.372 0.000) 1.372 8.567 ( 0.000 -3.723 0.000) 3.723 8.918 ( 0.000 -0.683 0.000) 0.683 8.943 ( 0.000 -5.047 0.000) 5.047 9.032 ( 0.000 -4.387 0.000) 4.387 9.214 ( 0.000 -5.169 0.000) 5.169 9.331 ( 0.000 -6.255 0.000) 6.255 9.360 ( 0.000 -3.649 0.000) 3.649 9.405 ( 0.000 -8.027 0.000) 8.027 9.543 ( 0.000 -4.899 0.000) 4.899 9.753 ( 0.000 -3.613 0.000) 3.613 10.071 ( 0.000 -3.097 0.000) 3.097 10.452 ( 0.000 -5.648 0.000) 5.648 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -1.654 10.880 -0.122) 11.006 1.199 ( 2.256 16.901 1.587) 17.124 1.290 ( 1.098 9.782 -0.878) 9.883 1.447 ( 1.312 14.201 -2.261) 14.440 1.587 ( -4.876 8.939 0.420) 10.191 1.690 ( 2.914 11.991 -3.996) 12.970 1.869 ( 0.953 8.196 -3.302) 8.887 1.919 ( -1.900 11.092 2.887) 11.618 1.972 ( -1.796 5.128 -0.758) 5.486 2.005 ( -6.111 6.466 4.210) 9.843 2.096 ( -4.104 6.068 3.458) 8.101 2.132 ( -0.307 3.155 2.612) 4.107 2.208 ( -3.616 2.750 1.982) 4.957 2.281 ( -1.873 4.043 1.066) 4.581 2.338 ( -0.254 6.085 -2.552) 6.603 2.367 ( -2.286 5.127 -3.419) 6.572 2.455 ( 3.566 19.374 0.851) 19.718 2.571 ( 3.135 8.749 -0.052) 9.294 2.656 ( 1.204 10.549 -0.292) 10.621 2.708 ( -2.753 5.542 -1.671) 6.410 2.863 ( 5.270 9.469 -4.201) 11.622 2.889 ( 2.040 9.674 -2.215) 10.132 2.949 ( 1.904 5.537 4.293) 7.260 2.977 ( 2.920 10.073 2.701) 10.830 3.135 ( -1.627 20.957 0.694) 21.031 3.224 ( 2.380 12.727 -3.156) 13.327 3.253 ( -3.783 5.376 -3.855) 7.621 3.358 ( -1.784 4.523 -1.556) 5.105 3.457 ( -2.240 5.067 4.507) 7.142 3.548 ( -0.298 7.458 5.999) 9.576 3.621 ( -2.821 2.652 1.881) 4.304 3.753 ( 4.847 2.902 -0.760) 5.701 3.827 ( -2.318 -0.239 -2.605) 3.495 3.940 ( -1.058 -3.933 -2.789) 4.936 4.042 ( -0.617 -3.993 -0.429) 4.063 4.152 ( 3.094 -0.143 1.130) 3.297 4.545 ( -2.336 -4.725 -0.807) 5.332 4.670 ( 2.580 -4.276 1.030) 5.099 5.128 ( -0.489 -1.119 0.344) 1.268 5.129 ( -1.030 -1.186 -0.563) 1.669 5.487 ( 2.354 -0.241 0.026) 2.366 5.672 ( 0.564 2.608 0.706) 2.760 5.789 ( 5.711 -5.603 0.463) 8.014 5.852 ( 4.622 -2.301 0.488) 5.186 6.011 ( 3.774 -1.248 -3.197) 5.101 6.116 ( 2.662 -1.537 0.336) 3.092 6.291 ( -4.076 -2.302 1.279) 4.853 6.346 ( -0.444 2.963 -0.890) 3.125 6.377 ( 2.352 -0.558 -0.418) 2.454 6.436 ( 1.123 1.703 2.711) 3.393 6.496 ( -0.676 1.016 -0.213) 1.238 6.649 ( -3.424 0.703 -2.909) 4.548 6.672 ( 1.350 4.861 1.031) 5.149 6.725 ( 1.121 0.069 -1.468) 1.848 6.783 ( 1.055 0.473 2.054) 2.357 6.836 ( 0.385 1.705 0.887) 1.960 6.867 ( -0.899 3.147 -1.446) 3.578 7.004 ( -0.405 2.561 -0.142) 2.597 7.007 ( 1.598 3.758 3.787) 5.569 7.067 ( 1.527 2.406 -0.199) 2.856 7.167 ( -0.254 5.397 -2.766) 6.070 7.260 ( -0.540 6.535 -0.049) 6.557 7.268 ( -6.847 3.993 -0.785) 7.965 7.306 ( 3.462 1.472 -0.392) 3.782 7.385 ( -2.772 4.747 -0.320) 5.506 7.468 ( -4.147 2.309 2.225) 5.242 7.529 ( -2.127 0.934 -1.586) 2.813 7.605 ( -1.020 5.632 0.387) 5.737 7.670 ( 3.427 -2.276 -0.533) 4.149 7.728 ( -1.275 1.790 3.351) 4.008 7.801 ( 3.228 5.033 -2.712) 6.566 7.871 ( -2.111 3.003 4.773) 6.021 7.907 ( 1.069 2.463 -4.885) 5.574 8.199 ( -6.104 -3.458 -0.500) 7.033 8.333 ( -0.035 4.865 2.519) 5.478 8.395 ( 1.617 -4.596 3.949) 6.271 8.468 ( -2.431 1.893 -4.615) 5.549 8.530 ( 1.404 -3.320 -2.652) 4.475 8.617 ( 2.984 -3.163 0.174) 4.352 8.867 ( -6.271 -1.111 8.384) 10.529 8.928 ( -2.079 -4.053 -4.627) 6.493 9.004 ( 1.747 -2.225 -6.656) 7.233 9.161 ( -3.926 -5.096 3.491) 7.319 9.348 ( 2.628 -7.344 -1.538) 7.951 9.436 ( 4.636 -6.824 -0.006) 8.250 9.451 ( 2.788 -8.262 1.784) 8.900 9.543 ( -0.455 -5.779 0.779) 5.849 9.759 ( 0.642 -3.521 0.120) 3.581 10.048 ( -1.969 -2.801 -0.091) 3.424 10.439 ( -1.108 -5.431 -0.100) 5.544 ======================= Grid point 17 (12/56) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -1.119 13.620 -0.309) 13.669 1.216 ( -0.794 13.619 1.659) 13.743 1.350 ( 2.710 5.525 -1.948) 6.454 1.484 ( 4.406 11.215 -0.241) 12.052 1.547 ( 0.246 11.966 0.833) 11.997 1.765 ( -0.862 11.414 -2.866) 11.799 1.791 ( 1.471 8.879 -3.018) 9.492 1.821 ( -7.178 8.087 1.390) 10.902 1.887 ( -4.369 8.142 -1.277) 9.328 1.961 ( -1.674 8.480 0.886) 8.688 2.059 ( -0.180 7.661 6.749) 10.212 2.108 ( -3.091 3.281 1.163) 4.655 2.190 ( 0.988 2.371 0.669) 2.654 2.248 ( -0.899 5.253 1.017) 5.426 2.303 ( -1.335 6.747 -2.664) 7.376 2.354 ( 0.775 3.851 -1.722) 4.289 2.498 ( 0.836 3.403 2.206) 4.141 2.583 ( -1.862 1.480 -3.025) 3.848 2.640 ( -0.789 8.154 -0.868) 8.238 2.799 ( 9.434 13.802 0.851) 16.740 2.923 ( 0.583 8.977 4.091) 9.883 2.978 ( -0.217 9.089 1.873) 9.283 2.985 ( 6.849 10.154 -6.019) 13.647 3.010 ( -1.347 13.178 -0.944) 13.280 3.094 ( -1.112 19.672 2.112) 19.816 3.151 ( -4.192 3.768 -1.735) 5.898 3.209 ( -5.578 8.405 -1.038) 10.141 3.357 ( 4.709 12.554 -0.328) 13.412 3.441 ( -0.257 8.839 0.367) 8.851 3.518 ( -4.408 10.526 -0.057) 11.412 3.642 ( 3.670 5.295 7.835) 10.144 3.745 ( -4.085 2.648 -5.346) 7.230 3.832 ( 2.272 1.251 0.955) 2.764 3.921 ( -0.333 -2.760 -1.810) 3.317 4.034 ( -0.191 -5.568 0.118) 5.572 4.199 ( 1.266 -2.969 0.143) 3.231 4.508 ( -0.990 -4.041 -0.337) 4.174 4.714 ( 1.241 -4.670 0.433) 4.852 5.105 ( -0.714 -2.163 -0.261) 2.293 5.125 ( -0.128 -0.022 0.134) 0.186 5.527 ( 1.218 0.032 0.040) 1.219 5.689 ( 0.640 2.403 0.635) 2.567 5.916 ( 5.876 -6.536 -0.573) 8.808 5.952 ( 3.907 -4.041 0.659) 5.660 6.043 ( -1.302 -3.281 -1.139) 3.709 6.183 ( 3.675 0.586 -1.663) 4.076 6.217 ( -2.152 -0.986 0.955) 2.552 6.312 ( -2.345 -1.189 0.982) 2.807 6.422 ( 0.050 0.355 1.329) 1.376 6.453 ( 0.091 3.459 -0.746) 3.540 6.506 ( 1.648 3.729 0.602) 4.121 6.598 ( -0.190 1.149 -1.710) 2.068 6.684 ( -0.535 1.104 0.511) 1.329 6.741 ( 1.722 3.592 -1.360) 4.209 6.801 ( -2.130 3.083 -0.159) 3.750 6.837 ( 1.458 1.476 2.971) 3.623 6.899 ( 3.576 -1.762 -0.463) 4.013 6.972 ( -2.843 0.351 -1.957) 3.469 6.983 ( -3.023 -1.144 2.405) 4.029 7.116 ( -0.757 7.016 0.862) 7.110 7.151 ( 0.344 5.623 -0.945) 5.712 7.170 ( 0.699 6.211 -2.107) 6.596 7.257 ( 0.734 8.552 -0.677) 8.610 7.314 ( -3.647 4.539 2.720) 6.427 7.361 ( -1.154 2.169 -0.110) 2.460 7.430 ( 1.321 1.780 -2.461) 3.312 7.496 ( -0.681 2.563 0.291) 2.668 7.611 ( 1.759 3.698 0.667) 4.149 7.679 ( -0.731 -1.208 1.766) 2.261 7.708 ( -2.132 2.767 0.323) 3.508 7.814 ( -1.188 3.465 -1.541) 3.974 7.882 ( 2.017 3.009 2.024) 4.150 7.909 ( -0.033 1.713 -2.568) 3.086 8.097 ( -2.882 -0.007 -0.102) 2.884 8.349 ( 0.418 3.997 2.577) 4.775 8.404 ( -1.423 3.287 0.430) 3.608 8.454 ( 1.931 -2.745 -1.013) 3.505 8.525 ( -0.805 -2.602 -2.399) 3.630 8.667 ( 1.756 -4.293 -0.102) 4.639 8.776 ( -3.266 -1.205 2.691) 4.400 8.868 ( -1.706 -3.401 -2.485) 4.545 9.044 ( 2.404 -3.954 -2.443) 5.233 9.109 ( -2.331 -3.586 3.429) 5.482 9.401 ( 2.331 -9.479 -1.352) 9.855 9.491 ( 0.485 -9.215 1.478) 9.346 9.504 ( 1.967 -6.372 -1.076) 6.755 9.528 ( -0.730 -7.928 0.681) 7.990 9.774 ( 0.519 -3.569 0.250) 3.615 10.010 ( -1.287 -2.397 -0.046) 2.722 10.418 ( -0.706 -5.041 -0.060) 5.090 ======================= Grid point 20 (13/56) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 8.414 0.000) 8.414 1.482 ( 0.000 9.351 0.000) 9.351 1.499 ( 0.000 13.482 0.000) 13.482 1.719 ( 0.000 11.486 0.000) 11.486 1.823 ( 0.000 11.300 0.000) 11.300 1.940 ( 0.000 12.826 0.000) 12.826 1.971 ( 0.000 -1.304 0.000) 1.304 2.034 ( 0.000 5.788 0.000) 5.788 2.117 ( 0.000 6.441 0.000) 6.441 2.123 ( 0.000 6.795 0.000) 6.795 2.232 ( 0.000 1.847 0.000) 1.847 2.233 ( 0.000 3.570 0.000) 3.570 2.307 ( 0.000 1.104 0.000) 1.104 2.375 ( 0.000 4.285 0.000) 4.285 2.393 ( 0.000 0.715 0.000) 0.715 2.468 ( 0.000 3.062 0.000) 3.062 2.583 ( 0.000 2.613 0.000) 2.613 2.729 ( 0.000 -0.085 0.000) 0.085 2.815 ( 0.000 -0.880 0.000) 0.880 2.829 ( 0.000 -0.601 0.000) 0.601 2.938 ( 0.000 3.422 0.000) 3.422 3.006 ( 0.000 4.981 0.000) 4.981 3.098 ( 0.000 24.317 0.000) 24.317 3.188 ( 0.000 10.398 0.000) 10.398 3.244 ( 0.000 -0.724 0.000) 0.724 3.274 ( 0.000 -9.424 0.000) 9.424 3.373 ( 0.000 3.673 0.000) 3.673 3.565 ( 0.000 12.650 0.000) 12.650 3.604 ( 0.000 6.421 0.000) 6.421 3.657 ( 0.000 0.801 0.000) 0.801 3.712 ( 0.000 11.009 0.000) 11.009 3.904 ( 0.000 7.081 0.000) 7.081 3.937 ( 0.000 11.859 0.000) 11.859 3.949 ( 0.000 5.474 0.000) 5.474 4.037 ( 0.000 8.884 0.000) 8.884 4.246 ( 0.000 9.585 0.000) 9.585 4.507 ( 0.000 -2.283 0.000) 2.283 4.572 ( 0.000 -2.008 0.000) 2.008 5.126 ( 0.000 0.056 0.000) 0.056 5.127 ( 0.000 -0.305 0.000) 0.305 5.474 ( 0.000 2.332 0.000) 2.332 5.633 ( 0.000 -2.787 0.000) 2.787 5.740 ( 0.000 3.780 0.000) 3.780 5.802 ( 0.000 0.485 0.000) 0.485 5.976 ( 0.000 0.743 0.000) 0.743 6.055 ( 0.000 -0.694 0.000) 0.694 6.225 ( 0.000 -5.799 0.000) 5.799 6.323 ( 0.000 -2.318 0.000) 2.318 6.447 ( 0.000 1.687 0.000) 1.687 6.467 ( 0.000 5.627 0.000) 5.627 6.513 ( 0.000 -0.057 0.000) 0.057 6.610 ( 0.000 -2.749 0.000) 2.749 6.675 ( 0.000 -2.675 0.000) 2.675 6.765 ( 0.000 0.356 0.000) 0.356 6.828 ( 0.000 2.289 0.000) 2.289 6.839 ( 0.000 5.604 0.000) 5.604 6.972 ( 0.000 1.522 0.000) 1.522 7.003 ( 0.000 -0.115 0.000) 0.115 7.084 ( 0.000 2.726 0.000) 2.726 7.133 ( 0.000 7.330 0.000) 7.330 7.247 ( 0.000 2.696 0.000) 2.696 7.289 ( 0.000 0.791 0.000) 0.791 7.333 ( 0.000 1.789 0.000) 1.789 7.422 ( 0.000 2.510 0.000) 2.510 7.502 ( 0.000 -1.569 0.000) 1.569 7.510 ( 0.000 -1.376 0.000) 1.376 7.551 ( 0.000 -0.232 0.000) 0.232 7.618 ( 0.000 5.335 0.000) 5.335 7.688 ( 0.000 1.395 0.000) 1.395 7.737 ( 0.000 0.136 0.000) 0.136 7.888 ( 0.000 4.934 0.000) 4.934 7.903 ( 0.000 -0.575 0.000) 0.575 7.992 ( 0.000 4.868 0.000) 4.868 8.199 ( 0.000 -5.656 0.000) 5.656 8.209 ( 0.000 -5.820 0.000) 5.820 8.414 ( 0.000 2.737 0.000) 2.737 8.444 ( 0.000 -3.493 0.000) 3.493 8.520 ( 0.000 -1.799 0.000) 1.799 8.562 ( 0.000 2.925 0.000) 2.925 8.846 ( 0.000 -4.777 0.000) 4.777 8.897 ( 0.000 -1.855 0.000) 1.855 8.937 ( 0.000 -5.182 0.000) 5.182 9.118 ( 0.000 -4.524 0.000) 4.524 9.234 ( 0.000 -3.391 0.000) 3.391 9.235 ( 0.000 -8.473 0.000) 8.473 9.291 ( 0.000 -3.399 0.000) 3.399 9.485 ( 0.000 -1.184 0.000) 1.184 9.690 ( 0.000 -2.878 0.000) 2.878 10.035 ( 0.000 -0.552 0.000) 0.552 10.345 ( 0.000 -5.290 0.000) 5.290 ======================= Grid point 21 (14/56) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.350 8.735 0.013) 8.742 1.469 ( -0.910 9.315 -0.999) 9.413 1.498 ( -0.264 11.912 0.648) 11.933 1.698 ( -1.564 11.243 -0.344) 11.357 1.795 ( -1.452 11.368 -2.037) 11.640 1.929 ( 0.897 11.263 -1.258) 11.368 2.001 ( -0.513 1.784 1.742) 2.545 2.019 ( -0.945 4.834 -3.348) 5.955 2.114 ( -2.178 3.983 1.590) 4.809 2.138 ( 0.048 9.518 0.107) 9.519 2.161 ( -3.676 2.672 4.335) 6.280 2.189 ( -2.202 3.114 2.217) 4.412 2.288 ( -2.301 4.049 0.848) 4.733 2.339 ( -3.105 2.990 1.735) 4.646 2.412 ( 0.679 2.415 -3.140) 4.019 2.450 ( -0.896 3.408 -1.167) 3.713 2.586 ( -0.636 2.991 0.245) 3.068 2.672 ( -7.239 -3.921 -1.564) 8.380 2.739 ( -0.112 1.529 0.635) 1.659 2.836 ( -0.019 -1.710 -4.861) 5.153 2.958 ( -0.714 7.926 -0.998) 8.020 3.018 ( 3.025 1.237 2.741) 4.265 3.133 ( 0.109 2.203 4.513) 5.023 3.177 ( 0.448 4.783 1.615) 5.069 3.248 ( 1.607 10.482 0.197) 10.606 3.346 ( 3.409 5.249 -3.236) 7.046 3.428 ( 5.969 1.344 -2.179) 6.495 3.555 ( -0.211 12.979 0.474) 12.990 3.623 ( -2.990 8.184 2.031) 8.946 3.669 ( 4.163 7.357 -0.868) 8.498 3.747 ( 3.439 7.055 2.077) 8.119 3.908 ( -0.483 11.677 -1.096) 11.739 3.917 ( 0.339 6.928 -3.170) 7.626 3.956 ( -0.313 2.801 1.721) 3.302 4.019 ( -1.930 10.252 0.533) 10.446 4.226 ( -1.808 7.278 -0.254) 7.504 4.489 ( -1.100 -0.949 -0.447) 1.520 4.603 ( 2.200 -2.374 0.692) 3.310 5.109 ( -1.157 -0.032 -0.232) 1.181 5.131 ( 0.088 0.291 0.112) 0.324 5.508 ( 2.725 2.512 -0.034) 3.707 5.679 ( 4.414 -2.880 -1.417) 5.458 5.748 ( 0.523 2.910 2.369) 3.789 5.837 ( 3.068 0.210 1.266) 3.326 5.998 ( 2.069 -0.137 -2.987) 3.637 6.099 ( 4.235 -0.230 -0.872) 4.330 6.217 ( -1.072 -4.762 1.678) 5.162 6.316 ( -1.226 -2.045 -0.704) 2.486 6.411 ( -1.258 1.616 1.523) 2.552 6.496 ( -1.089 -0.088 -1.039) 1.507 6.516 ( 3.021 4.190 1.851) 5.487 6.626 ( 0.260 -1.716 -1.776) 2.483 6.702 ( 2.951 -2.314 -0.133) 3.753 6.751 ( -0.811 1.241 -0.231) 1.501 6.786 ( -1.832 2.060 -0.207) 2.765 6.870 ( 0.900 2.915 -1.174) 3.269 6.946 ( -1.259 3.053 1.738) 3.732 7.006 ( -2.218 -1.337 3.707) 4.522 7.055 ( -2.183 2.782 -2.259) 4.196 7.166 ( 2.595 5.087 0.003) 5.711 7.250 ( 1.468 3.282 -2.510) 4.385 7.326 ( -1.002 0.761 0.544) 1.371 7.337 ( -3.205 2.314 0.911) 4.056 7.349 ( 0.631 2.564 0.010) 2.640 7.441 ( 0.512 -0.546 0.787) 1.086 7.490 ( -4.229 1.516 -0.204) 4.497 7.595 ( -0.108 4.533 -3.111) 5.499 7.625 ( 1.332 -1.204 -0.334) 1.827 7.669 ( -0.784 1.572 0.260) 1.776 7.756 ( 0.647 0.960 3.948) 4.115 7.896 ( -1.720 -1.084 5.044) 5.438 7.911 ( 1.862 4.578 -1.583) 5.190 7.975 ( -0.276 4.511 -6.426) 7.856 8.127 ( -3.283 -2.856 -1.456) 4.588 8.270 ( 2.555 -7.381 4.857) 9.198 8.416 ( 0.290 2.852 1.630) 3.298 8.458 ( 0.664 -3.762 -1.579) 4.134 8.504 ( 0.163 1.734 -4.921) 5.220 8.582 ( 0.644 -0.280 1.549) 1.701 8.832 ( -4.915 -2.613 5.830) 8.061 8.850 ( -0.881 -3.632 1.337) 3.969 8.958 ( 2.178 -3.130 -9.356) 10.103 9.058 ( -4.040 -4.987 1.613) 6.618 9.233 ( 0.608 -4.949 0.735) 5.040 9.280 ( 2.883 -7.576 -0.414) 8.117 9.317 ( 1.338 -5.153 1.722) 5.595 9.480 ( -0.515 -1.145 0.123) 1.261 9.697 ( 0.620 -2.960 -0.200) 3.031 10.018 ( -1.559 -0.326 0.005) 1.593 10.335 ( -0.829 -5.184 -0.071) 5.250 ======================= Grid point 22 (15/56) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.069 9.771 0.092) 9.772 1.453 ( -0.165 9.977 -0.885) 10.017 1.485 ( -1.039 8.176 0.439) 8.253 1.696 ( 1.790 10.353 -0.376) 10.513 1.773 ( -0.540 10.889 -0.130) 10.903 1.919 ( -3.898 2.534 -0.757) 4.710 1.968 ( -0.706 7.934 0.669) 7.994 1.994 ( 1.455 11.314 -0.941) 11.446 2.041 ( -3.009 7.448 -2.047) 8.290 2.102 ( -1.324 5.226 1.177) 5.518 2.170 ( -0.489 6.256 2.150) 6.633 2.199 ( 0.567 2.443 0.366) 2.535 2.227 ( -1.767 4.555 1.667) 5.162 2.306 ( -0.533 1.176 2.097) 2.463 2.399 ( -0.683 3.889 -0.906) 4.051 2.433 ( -1.264 4.093 -1.194) 4.448 2.542 ( -0.977 -0.029 -3.861) 3.983 2.566 ( -2.874 0.668 1.816) 3.464 2.752 ( 0.496 0.174 0.522) 0.740 2.855 ( 2.297 -2.158 -3.529) 4.732 2.909 ( -2.322 -2.178 1.983) 3.751 3.070 ( -0.328 -4.489 1.747) 4.828 3.148 ( 0.294 1.394 0.845) 1.657 3.208 ( 2.732 8.364 0.200) 8.801 3.306 ( 3.067 9.843 2.497) 10.608 3.374 ( 2.043 7.750 -5.972) 9.995 3.489 ( -7.073 15.331 1.362) 16.939 3.524 ( 2.762 3.595 -0.105) 4.535 3.608 ( 1.836 9.764 1.509) 10.049 3.785 ( 6.247 13.854 -1.799) 15.303 3.812 ( 1.231 11.273 3.605) 11.899 3.893 ( -0.792 8.563 -1.541) 8.737 3.914 ( -0.004 7.783 -2.464) 8.164 3.951 ( -0.025 -0.012 -0.871) 0.872 3.967 ( -3.190 8.774 2.528) 9.672 4.188 ( -1.387 2.453 -0.224) 2.827 4.473 ( -0.363 0.733 -0.114) 0.826 4.641 ( 1.145 -2.332 0.292) 2.615 5.089 ( -0.593 0.418 -0.178) 0.747 5.132 ( 0.039 0.606 0.086) 0.614 5.552 ( 1.210 2.499 -0.012) 2.776 5.747 ( 1.219 3.052 -0.233) 3.295 5.794 ( 3.434 -4.203 0.642) 5.465 5.911 ( 3.377 -1.136 1.506) 3.868 5.997 ( -1.982 -1.421 -2.241) 3.312 6.191 ( 3.248 0.649 -1.036) 3.470 6.209 ( 1.385 -2.416 0.822) 2.903 6.273 ( -2.101 0.258 -0.112) 2.119 6.408 ( -1.264 -1.342 2.190) 2.862 6.465 ( -0.888 -0.445 -1.176) 1.539 6.582 ( 2.410 0.533 -0.224) 2.478 6.633 ( 2.276 4.200 0.229) 4.782 6.716 ( -1.293 1.221 -2.206) 2.833 6.740 ( -2.336 -0.911 1.460) 2.902 6.806 ( 4.990 -1.602 0.059) 5.241 6.881 ( -0.555 1.606 0.530) 1.779 6.914 ( -1.850 -0.952 0.389) 2.117 6.961 ( -2.781 0.572 0.758) 2.939 6.984 ( -2.413 3.755 -0.783) 4.532 7.214 ( 1.609 1.784 -0.245) 2.415 7.253 ( -0.530 4.327 -1.364) 4.568 7.270 ( -1.296 3.826 0.244) 4.047 7.324 ( -0.330 0.784 1.501) 1.725 7.387 ( 2.332 2.897 -0.749) 3.793 7.430 ( -2.070 3.167 1.251) 3.985 7.489 ( 3.162 0.962 -1.494) 3.627 7.549 ( -2.635 5.434 -0.217) 6.043 7.631 ( 0.121 -0.772 -1.524) 1.713 7.669 ( 0.526 0.433 1.906) 2.024 7.743 ( -2.998 0.577 0.079) 3.054 7.891 ( 0.556 1.025 7.438) 7.528 7.936 ( 0.760 4.001 -0.644) 4.124 7.946 ( -0.815 2.519 -7.625) 8.071 8.090 ( -0.317 -0.263 -0.407) 0.578 8.332 ( 1.845 -6.712 3.785) 7.923 8.418 ( -0.308 0.206 -2.356) 2.385 8.473 ( 1.110 0.144 4.154) 4.302 8.502 ( 0.624 2.942 -5.557) 6.319 8.574 ( -1.554 -3.811 0.348) 4.130 8.754 ( -2.876 -1.102 2.354) 3.876 8.830 ( -0.895 -1.378 -0.402) 1.692 8.974 ( 1.711 -3.136 -5.633) 6.670 9.008 ( -1.900 -6.603 3.996) 7.949 9.254 ( 0.942 -6.105 -0.062) 6.178 9.325 ( 1.279 -8.045 0.299) 8.152 9.337 ( 0.243 -6.320 0.755) 6.369 9.468 ( -0.474 -0.919 -0.273) 1.070 9.709 ( 0.445 -3.176 -0.040) 3.207 9.987 ( -1.035 0.062 0.005) 1.037 10.319 ( -0.516 -5.009 -0.042) 5.035 ======================= Grid point 25 (16/56) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 7.221 0.000) 7.221 1.634 ( 0.000 5.907 0.000) 5.907 1.679 ( 0.000 5.458 0.000) 5.458 1.899 ( 0.000 -5.201 0.000) 5.201 1.919 ( 0.000 9.828 0.000) 9.828 2.029 ( 0.000 7.374 0.000) 7.374 2.083 ( 0.000 -0.143 0.000) 0.143 2.161 ( 0.000 9.448 0.000) 9.448 2.219 ( 0.000 2.355 0.000) 2.355 2.225 ( 0.000 2.922 0.000) 2.922 2.280 ( 0.000 0.338 0.000) 0.338 2.288 ( 0.000 4.738 0.000) 4.738 2.300 ( 0.000 0.144 0.000) 0.144 2.395 ( 0.000 0.872 0.000) 0.872 2.441 ( 0.000 1.897 0.000) 1.897 2.534 ( 0.000 3.557 0.000) 3.557 2.636 ( 0.000 2.995 0.000) 2.995 2.673 ( 0.000 -3.465 0.000) 3.465 2.741 ( 0.000 -4.372 0.000) 4.372 2.814 ( 0.000 -1.122 0.000) 1.122 2.906 ( 0.000 -4.894 0.000) 4.894 3.021 ( 0.000 -5.713 0.000) 5.713 3.072 ( 0.000 -4.902 0.000) 4.902 3.182 ( 0.000 -2.580 0.000) 2.580 3.421 ( 0.000 8.966 0.000) 8.966 3.466 ( 0.000 6.343 0.000) 6.343 3.568 ( 0.000 14.488 0.000) 14.488 3.626 ( 0.000 0.862 0.000) 0.862 3.682 ( 0.000 3.242 0.000) 3.242 3.684 ( 0.000 4.871 0.000) 4.871 3.894 ( 0.000 -2.695 0.000) 2.695 3.947 ( 0.000 9.940 0.000) 9.940 4.191 ( 0.000 14.246 0.000) 14.246 4.214 ( 0.000 12.735 0.000) 12.735 4.305 ( 0.000 11.989 0.000) 11.989 4.430 ( 0.000 8.287 0.000) 8.287 4.498 ( 0.000 1.614 0.000) 1.614 4.555 ( 0.000 0.345 0.000) 0.345 5.129 ( 0.000 0.386 0.000) 0.386 5.130 ( 0.000 0.317 0.000) 0.317 5.548 ( 0.000 5.062 0.000) 5.062 5.620 ( 0.000 1.591 0.000) 1.591 5.772 ( 0.000 -0.975 0.000) 0.975 5.831 ( 0.000 1.951 0.000) 1.951 5.993 ( 0.000 0.926 0.000) 0.926 6.052 ( 0.000 -0.751 0.000) 0.751 6.126 ( 0.000 -2.828 0.000) 2.828 6.272 ( 0.000 -2.954 0.000) 2.954 6.473 ( 0.000 1.076 0.000) 1.076 6.516 ( 0.000 0.433 0.000) 0.433 6.556 ( 0.000 1.048 0.000) 1.048 6.567 ( 0.000 -0.304 0.000) 0.304 6.629 ( 0.000 -0.659 0.000) 0.659 6.761 ( 0.000 -0.284 0.000) 0.284 6.900 ( 0.000 3.335 0.000) 3.335 6.940 ( 0.000 4.763 0.000) 4.763 6.988 ( 0.000 1.795 0.000) 1.795 6.990 ( 0.000 -0.945 0.000) 0.945 7.150 ( 0.000 3.347 0.000) 3.347 7.231 ( 0.000 0.816 0.000) 0.816 7.280 ( 0.000 0.145 0.000) 0.145 7.298 ( 0.000 1.592 0.000) 1.592 7.350 ( 0.000 0.786 0.000) 0.786 7.405 ( 0.000 -2.770 0.000) 2.770 7.488 ( 0.000 -0.716 0.000) 0.716 7.508 ( 0.000 1.670 0.000) 1.670 7.539 ( 0.000 -0.976 0.000) 0.976 7.684 ( 0.000 -1.544 0.000) 1.544 7.706 ( 0.000 0.719 0.000) 0.719 7.740 ( 0.000 2.128 0.000) 2.128 7.858 ( 0.000 -3.127 0.000) 3.127 7.960 ( 0.000 3.000 0.000) 3.000 8.008 ( 0.000 -3.972 0.000) 3.972 8.122 ( 0.000 -3.027 0.000) 3.027 8.173 ( 0.000 3.450 0.000) 3.450 8.386 ( 0.000 -2.494 0.000) 2.494 8.450 ( 0.000 1.011 0.000) 1.011 8.479 ( 0.000 -2.295 0.000) 2.295 8.628 ( 0.000 3.419 0.000) 3.419 8.766 ( 0.000 -3.232 0.000) 3.232 8.841 ( 0.000 -3.565 0.000) 3.565 8.842 ( 0.000 -4.326 0.000) 4.326 9.043 ( 0.000 -3.075 0.000) 3.075 9.092 ( 0.000 -5.856 0.000) 5.856 9.196 ( 0.000 -0.759 0.000) 0.759 9.239 ( 0.000 -1.952 0.000) 1.952 9.489 ( 0.000 1.393 0.000) 1.393 9.637 ( 0.000 -2.672 0.000) 2.672 10.046 ( 0.000 1.583 0.000) 1.583 10.247 ( 0.000 -4.701 0.000) 4.701 ======================= Grid point 26 (17/56) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.583 7.151 -0.001) 7.175 1.618 ( -1.001 5.758 -1.368) 6.003 1.663 ( -1.737 5.332 1.382) 5.775 1.891 ( -0.770 1.305 0.135) 1.521 1.914 ( -0.324 4.930 -2.666) 5.614 2.013 ( -2.173 5.214 1.261) 5.788 2.089 ( 0.275 0.310 2.179) 2.218 2.147 ( -1.484 7.447 0.455) 7.607 2.180 ( -0.260 4.355 -2.210) 4.890 2.217 ( -1.886 3.026 -1.424) 3.839 2.238 ( -0.674 4.432 2.548) 5.156 2.315 ( 0.588 6.343 -0.201) 6.374 2.331 ( 0.884 1.152 2.478) 2.872 2.403 ( -2.468 1.570 -0.360) 2.947 2.428 ( 1.093 0.185 -2.756) 2.971 2.510 ( -1.138 2.801 1.778) 3.508 2.602 ( -4.891 -0.431 0.244) 4.916 2.649 ( -0.198 2.180 -0.007) 2.189 2.701 ( -1.446 -2.552 -4.347) 5.244 2.812 ( -1.026 -2.426 0.228) 2.643 2.951 ( -5.992 -5.930 -0.119) 8.431 2.961 ( 2.450 -4.018 -0.474) 4.729 3.058 ( -0.156 -6.620 4.083) 7.780 3.185 ( 0.756 -3.950 1.872) 4.436 3.374 ( -1.406 5.889 -4.764) 7.704 3.466 ( 1.720 5.216 -1.710) 5.752 3.624 ( 0.881 8.134 3.676) 8.970 3.672 ( 3.366 4.489 0.893) 5.682 3.754 ( 6.033 7.256 2.743) 9.827 3.787 ( 6.963 4.757 -0.027) 8.433 3.856 ( -0.869 2.572 0.027) 2.715 3.975 ( 2.981 5.667 -3.026) 7.082 4.169 ( -1.219 13.208 -6.515) 14.778 4.184 ( -3.312 11.641 3.481) 12.594 4.259 ( -4.410 10.304 2.997) 11.602 4.386 ( -4.190 7.567 -1.379) 8.759 4.513 ( 1.457 3.483 -0.154) 3.779 4.587 ( 2.512 0.872 0.921) 2.814 5.120 ( -0.499 0.953 -0.071) 1.078 5.138 ( 0.423 0.394 0.055) 0.581 5.586 ( 2.857 5.449 -0.268) 6.158 5.654 ( 3.618 0.567 -0.454) 3.690 5.789 ( 0.942 0.220 1.736) 1.987 5.855 ( 2.305 1.417 0.159) 2.711 6.001 ( 0.640 0.328 -2.047) 2.170 6.079 ( 1.826 -3.528 0.420) 3.995 6.149 ( 2.831 -0.107 0.192) 2.840 6.281 ( 0.826 -1.922 0.203) 2.102 6.441 ( -2.587 1.879 2.715) 4.194 6.494 ( -1.317 0.308 -2.097) 2.495 6.576 ( 0.765 -0.318 -2.185) 2.337 6.598 ( 2.512 0.457 1.796) 3.122 6.652 ( 2.598 -1.915 -0.120) 3.230 6.744 ( -1.338 -0.709 0.150) 1.522 6.864 ( -2.133 3.225 -2.054) 4.379 6.918 ( -1.246 3.426 -0.893) 3.753 6.957 ( -4.122 -2.266 2.568) 5.359 7.023 ( 1.686 4.221 1.969) 4.954 7.120 ( -2.647 3.286 -0.807) 4.296 7.232 ( 1.007 1.841 -1.205) 2.420 7.301 ( 1.651 1.576 -1.311) 2.632 7.309 ( -2.123 -2.729 1.544) 3.786 7.336 ( -2.011 -0.622 1.304) 2.476 7.391 ( 1.278 -1.500 1.627) 2.556 7.424 ( -0.072 2.262 -2.893) 3.673 7.517 ( -0.942 0.928 -0.300) 1.356 7.593 ( 2.937 -0.540 -1.017) 3.155 7.685 ( -0.613 0.402 -1.287) 1.481 7.694 ( -0.984 3.052 -0.857) 3.319 7.764 ( 2.160 0.132 5.320) 5.743 7.834 ( -3.089 -3.938 1.196) 5.146 7.974 ( 1.175 2.368 -3.096) 4.071 8.017 ( 2.527 -1.980 -1.984) 3.774 8.127 ( -3.565 2.566 -1.196) 4.553 8.141 ( 1.185 -4.268 3.852) 5.870 8.373 ( -1.432 -4.260 -1.943) 4.896 8.453 ( 0.826 0.740 1.381) 1.771 8.520 ( 2.922 -0.137 -0.896) 3.059 8.616 ( -1.218 3.088 -0.966) 3.457 8.777 ( 0.362 -2.583 3.130) 4.074 8.786 ( -3.509 -3.080 3.409) 5.781 8.870 ( 1.324 -5.027 -5.008) 7.219 8.994 ( -3.199 -1.809 -1.564) 3.994 9.105 ( 0.403 -6.497 0.934) 6.576 9.213 ( 1.571 -1.053 -0.218) 1.904 9.247 ( 0.443 -2.144 1.325) 2.559 9.485 ( -0.359 1.445 0.032) 1.490 9.641 ( 0.398 -2.816 -0.249) 2.855 10.033 ( -1.212 1.762 0.027) 2.139 10.239 ( -0.745 -4.694 -0.044) 4.752 ======================= Grid point 27 (18/56) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.414 7.102 0.022) 7.114 1.603 ( 0.241 5.489 -1.775) 5.773 1.628 ( -1.921 5.674 1.728) 6.234 1.866 ( -1.299 4.279 0.741) 4.533 1.905 ( 0.055 0.751 -1.324) 1.523 1.971 ( -1.249 8.053 -0.225) 8.153 2.100 ( 0.219 2.392 1.509) 2.837 2.134 ( 0.217 3.333 -0.129) 3.343 2.172 ( -1.565 6.245 -1.573) 6.627 2.192 ( 0.517 4.728 -0.472) 4.779 2.256 ( 1.556 6.719 0.892) 6.955 2.309 ( -1.814 0.216 1.979) 2.693 2.313 ( -0.812 6.643 -1.060) 6.776 2.344 ( -2.184 5.457 1.741) 6.130 2.463 ( 1.854 2.181 -1.372) 3.174 2.499 ( -2.739 0.469 -2.866) 3.992 2.525 ( 1.283 2.651 1.596) 3.350 2.624 ( -3.349 3.370 1.038) 4.863 2.680 ( 0.135 -3.696 -1.603) 4.031 2.770 ( -1.403 -7.125 -0.429) 7.275 2.891 ( -0.362 -0.610 -0.108) 0.717 2.955 ( -1.416 -5.731 1.920) 6.208 3.059 ( -0.890 -8.966 0.053) 9.010 3.254 ( 3.563 -8.619 2.728) 9.717 3.369 ( 2.037 6.101 -3.443) 7.296 3.468 ( -0.909 2.445 -3.004) 3.978 3.661 ( 0.885 7.568 1.537) 7.773 3.688 ( -3.010 6.024 3.169) 7.443 3.796 ( 2.636 7.617 -0.152) 8.062 3.884 ( 3.674 2.599 2.631) 5.213 4.005 ( 8.880 7.445 -1.010) 11.632 4.034 ( 2.768 7.279 -2.291) 8.118 4.110 ( -2.334 9.380 -2.234) 9.921 4.131 ( -1.368 10.881 -2.328) 11.211 4.162 ( -6.144 9.081 4.096) 11.704 4.279 ( -4.940 5.399 -0.468) 7.332 4.542 ( 0.981 5.801 0.101) 5.884 4.633 ( 1.383 1.372 0.309) 1.973 5.113 ( -0.197 1.712 -0.052) 1.724 5.145 ( 0.223 0.638 0.028) 0.676 5.624 ( 0.881 4.693 -0.194) 4.779 5.746 ( 4.120 0.234 -0.228) 4.133 5.807 ( 0.320 1.234 0.785) 1.497 5.901 ( 1.421 0.290 0.697) 1.609 5.987 ( -1.201 0.232 -1.333) 1.809 6.110 ( 1.056 -5.983 0.231) 6.080 6.225 ( 2.896 2.289 -0.056) 3.692 6.313 ( 3.197 1.502 -0.794) 3.620 6.394 ( -3.628 1.122 2.448) 4.519 6.463 ( -0.978 0.608 -1.107) 1.597 6.568 ( -0.125 -1.555 -0.711) 1.715 6.665 ( 3.357 -0.539 0.292) 3.413 6.705 ( 0.513 -0.735 -0.149) 0.909 6.746 ( 2.840 -4.375 0.599) 5.251 6.813 ( -2.681 5.267 -1.920) 6.214 6.865 ( -3.184 -2.230 0.641) 3.940 6.883 ( -3.236 -0.038 1.120) 3.425 7.023 ( -0.815 5.026 -0.128) 5.094 7.095 ( 0.203 5.759 0.257) 5.768 7.198 ( -3.042 -2.708 -0.105) 4.074 7.293 ( 0.807 0.276 -0.091) 0.858 7.304 ( -0.136 0.618 -0.311) 0.705 7.349 ( 1.816 0.218 0.985) 2.077 7.441 ( 2.302 0.735 2.039) 3.162 7.448 ( 1.411 0.557 -4.010) 4.287 7.498 ( -1.432 1.912 0.865) 2.541 7.606 ( -0.347 -1.097 0.746) 1.372 7.655 ( -0.753 3.407 -1.601) 3.839 7.688 ( 0.314 1.064 -0.620) 1.271 7.736 ( -4.352 -1.271 0.781) 4.601 7.871 ( 4.733 -0.960 6.098) 7.779 7.981 ( -0.638 2.528 -5.275) 5.885 8.032 ( -1.721 3.805 -2.726) 4.987 8.089 ( 1.379 -0.470 -0.180) 1.468 8.191 ( 2.273 -7.167 4.236) 8.629 8.322 ( -2.651 -7.311 -1.554) 7.930 8.480 ( 1.164 0.525 0.978) 1.609 8.562 ( -0.584 1.180 1.478) 1.980 8.584 ( 0.841 4.011 -3.986) 5.717 8.723 ( -2.844 -2.474 2.360) 4.447 8.799 ( 0.544 -1.649 1.807) 2.506 8.867 ( -0.260 -5.740 -2.482) 6.259 8.945 ( -0.930 -0.935 -0.697) 1.492 9.112 ( 0.162 -7.356 0.334) 7.365 9.244 ( 1.398 -1.736 -0.931) 2.415 9.256 ( -0.204 -1.973 1.727) 2.630 9.478 ( -0.279 1.711 -0.162) 1.741 9.648 ( 0.273 -3.083 -0.114) 3.097 10.009 ( -0.793 2.070 0.018) 2.217 10.224 ( -0.472 -4.699 -0.027) 4.722 ======================= Grid point 30 (19/56) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 6.321 0.000) 6.321 1.703 ( 0.000 0.674 0.000) 0.674 1.741 ( 0.000 1.449 0.000) 1.449 1.788 ( 0.000 -5.253 0.000) 5.253 2.061 ( 0.000 0.647 0.000) 0.647 2.061 ( 0.000 -0.949 0.000) 0.949 2.104 ( 0.000 6.099 0.000) 6.099 2.219 ( 0.000 -4.532 0.000) 4.532 2.250 ( 0.000 1.100 0.000) 1.100 2.255 ( 0.000 0.298 0.000) 0.298 2.295 ( 0.000 3.840 0.000) 3.840 2.324 ( 0.000 0.330 0.000) 0.330 2.382 ( 0.000 4.205 0.000) 4.205 2.443 ( 0.000 -1.672 0.000) 1.672 2.478 ( 0.000 7.028 0.000) 7.028 2.578 ( 0.000 -0.807 0.000) 0.807 2.637 ( 0.000 -0.148 0.000) 0.148 2.657 ( 0.000 -2.401 0.000) 2.401 2.706 ( 0.000 2.909 0.000) 2.909 2.776 ( 0.000 -3.408 0.000) 3.408 2.819 ( 0.000 -2.084 0.000) 2.084 2.860 ( 0.000 -6.500 0.000) 6.500 3.066 ( 0.000 1.769 0.000) 1.769 3.121 ( 0.000 -3.405 0.000) 3.405 3.544 ( 0.000 4.097 0.000) 4.097 3.588 ( 0.000 5.114 0.000) 5.114 3.593 ( 0.000 -1.294 0.000) 1.294 3.649 ( 0.000 -1.208 0.000) 1.208 3.746 ( 0.000 3.497 0.000) 3.497 3.811 ( 0.000 -2.330 0.000) 2.330 3.946 ( 0.000 9.591 0.000) 9.591 4.047 ( 0.000 -0.014 0.000) 0.014 4.370 ( 0.000 3.510 0.000) 3.510 4.374 ( 0.000 3.434 0.000) 3.434 4.471 ( 0.000 6.401 0.000) 6.401 4.532 ( 0.000 1.039 0.000) 1.039 4.565 ( 0.000 3.399 0.000) 3.399 4.578 ( 0.000 1.529 0.000) 1.529 5.136 ( 0.000 0.231 0.000) 0.231 5.137 ( 0.000 0.248 0.000) 0.248 5.648 ( 0.000 4.574 0.000) 4.574 5.698 ( 0.000 6.157 0.000) 6.157 5.726 ( 0.000 -3.412 0.000) 3.412 5.814 ( 0.000 -4.314 0.000) 4.314 6.007 ( 0.000 0.409 0.000) 0.409 6.016 ( 0.000 -1.081 0.000) 1.081 6.145 ( 0.000 2.909 0.000) 2.909 6.209 ( 0.000 -3.450 0.000) 3.450 6.497 ( 0.000 1.474 0.000) 1.474 6.527 ( 0.000 0.664 0.000) 0.664 6.529 ( 0.000 -1.639 0.000) 1.639 6.547 ( 0.000 -1.611 0.000) 1.611 6.686 ( 0.000 4.069 0.000) 4.069 6.746 ( 0.000 -1.766 0.000) 1.766 6.927 ( 0.000 0.727 0.000) 0.727 6.952 ( 0.000 -1.700 0.000) 1.700 7.049 ( 0.000 5.156 0.000) 5.156 7.067 ( 0.000 4.317 0.000) 4.317 7.183 ( 0.000 -1.799 0.000) 1.799 7.189 ( 0.000 -3.210 0.000) 3.210 7.260 ( 0.000 0.839 0.000) 0.839 7.303 ( 0.000 -1.764 0.000) 1.764 7.387 ( 0.000 1.656 0.000) 1.656 7.388 ( 0.000 0.714 0.000) 0.714 7.488 ( 0.000 0.972 0.000) 0.972 7.516 ( 0.000 -1.212 0.000) 1.212 7.534 ( 0.000 1.058 0.000) 1.058 7.593 ( 0.000 -5.191 0.000) 5.191 7.730 ( 0.000 1.979 0.000) 1.979 7.772 ( 0.000 -1.355 0.000) 1.355 7.836 ( 0.000 2.496 0.000) 2.496 7.913 ( 0.000 -4.687 0.000) 4.687 8.020 ( 0.000 2.944 0.000) 2.944 8.073 ( 0.000 -2.450 0.000) 2.450 8.255 ( 0.000 4.288 0.000) 4.288 8.332 ( 0.000 -3.424 0.000) 3.424 8.449 ( 0.000 -0.393 0.000) 0.393 8.455 ( 0.000 -0.404 0.000) 0.404 8.686 ( 0.000 2.482 0.000) 2.482 8.722 ( 0.000 -1.461 0.000) 1.461 8.778 ( 0.000 -1.951 0.000) 1.951 8.780 ( 0.000 -2.101 0.000) 2.101 9.003 ( 0.000 -0.917 0.000) 0.917 9.014 ( 0.000 -2.199 0.000) 2.199 9.195 ( 0.000 0.466 0.000) 0.466 9.210 ( 0.000 -1.091 0.000) 1.091 9.530 ( 0.000 2.598 0.000) 2.598 9.584 ( 0.000 -2.819 0.000) 2.819 10.093 ( 0.000 3.064 0.000) 3.064 10.162 ( 0.000 -4.018 0.000) 4.018 ======================= Grid point 31 (20/56) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.019 5.455 -0.026) 5.455 1.683 ( -1.391 0.570 -0.352) 1.544 1.731 ( -0.851 2.489 0.508) 2.679 1.802 ( 0.897 -5.122 -0.604) 5.235 2.027 ( -2.586 2.347 1.496) 3.800 2.061 ( -0.481 -1.855 1.709) 2.568 2.110 ( 0.566 5.683 -1.513) 5.908 2.201 ( -0.244 -2.750 -1.014) 2.941 2.241 ( -0.038 3.551 -0.114) 3.553 2.278 ( 0.523 1.268 -0.016) 1.372 2.326 ( 2.397 1.219 0.798) 2.805 2.343 ( 0.779 0.685 0.685) 1.243 2.393 ( 0.998 2.777 -0.134) 2.954 2.441 ( -0.594 0.811 1.014) 1.427 2.450 ( -1.663 4.987 -2.344) 5.756 2.545 ( -1.890 -0.872 -1.111) 2.359 2.613 ( -2.217 -0.432 -1.614) 2.776 2.653 ( 0.849 0.459 -0.238) 0.994 2.703 ( -0.266 1.465 0.158) 1.497 2.775 ( -3.753 1.343 1.398) 4.224 2.825 ( 0.574 -7.082 0.561) 7.127 2.844 ( 0.174 -6.046 -0.039) 6.048 3.005 ( -4.742 1.541 0.986) 5.082 3.080 ( -3.056 -5.363 0.398) 6.186 3.485 ( -2.493 4.323 -3.084) 5.866 3.524 ( -1.147 0.459 -2.154) 2.483 3.698 ( 4.091 2.204 5.693) 7.348 3.718 ( 3.567 0.345 3.583) 5.067 3.824 ( 5.091 1.744 0.176) 5.384 3.845 ( 2.827 -0.340 -2.324) 3.676 3.982 ( 4.744 7.677 -0.615) 9.045 4.052 ( 1.992 0.575 -1.772) 2.728 4.327 ( -4.196 3.708 0.940) 5.678 4.337 ( -3.916 2.995 0.639) 4.971 4.417 ( -4.241 6.270 -1.389) 7.696 4.473 ( -4.786 0.846 -2.519) 5.474 4.597 ( 2.665 3.655 0.895) 4.611 4.619 ( 2.695 1.260 1.287) 3.241 5.138 ( 0.219 0.673 0.039) 0.709 5.143 ( 0.536 0.092 0.011) 0.544 5.692 ( 3.216 3.001 -0.168) 4.402 5.707 ( 1.888 5.535 -0.875) 5.913 5.766 ( 2.547 -1.272 1.023) 3.025 5.840 ( 2.654 -4.042 -0.031) 4.836 6.006 ( -0.273 0.173 -0.467) 0.568 6.017 ( -0.020 -1.356 0.402) 1.415 6.184 ( 3.765 2.582 0.274) 4.574 6.236 ( 2.630 -2.624 0.505) 3.749 6.487 ( -1.345 2.562 3.171) 4.293 6.513 ( -0.145 1.518 -3.894) 4.182 6.539 ( 0.146 -1.930 0.191) 1.945 6.570 ( 2.121 -2.946 -0.928) 3.747 6.676 ( -0.522 2.779 -0.064) 2.829 6.722 ( -1.853 -1.747 0.140) 2.550 6.884 ( -2.832 0.573 -0.930) 3.035 6.910 ( -4.180 -2.113 0.982) 4.785 7.034 ( -0.937 6.706 0.920) 6.833 7.116 ( 2.796 3.009 0.518) 4.140 7.149 ( -2.925 0.197 2.032) 3.566 7.223 ( 0.444 -3.260 -2.187) 3.951 7.271 ( -2.219 0.258 0.370) 2.264 7.295 ( 1.330 -1.636 -0.008) 2.108 7.332 ( -2.336 0.027 0.361) 2.364 7.346 ( 0.188 -1.631 -0.482) 1.711 7.487 ( 1.176 3.199 -1.225) 3.622 7.527 ( 0.715 -0.415 -0.532) 0.983 7.597 ( 3.175 1.161 -0.482) 3.414 7.653 ( 2.549 -3.886 0.767) 4.710 7.716 ( -1.283 1.694 -0.119) 2.128 7.761 ( -1.404 -2.148 -0.119) 2.569 7.826 ( 0.072 3.791 2.024) 4.298 7.920 ( 1.890 -5.466 0.931) 5.858 8.031 ( 1.173 2.715 -1.058) 3.141 8.081 ( 0.830 -2.321 -1.331) 2.801 8.203 ( -4.356 4.094 0.096) 5.978 8.287 ( -3.873 -4.464 -0.524) 5.933 8.472 ( 2.159 1.478 0.070) 2.617 8.504 ( 3.275 -1.480 -0.349) 3.610 8.670 ( -1.505 2.367 0.017) 2.805 8.718 ( -1.670 -2.901 1.795) 3.798 8.761 ( -0.109 0.406 1.367) 1.430 8.793 ( 0.729 -2.782 -2.261) 3.658 8.978 ( -1.760 0.252 -0.646) 1.892 9.010 ( -0.574 -3.170 0.251) 3.231 9.208 ( 1.116 0.326 0.083) 1.166 9.220 ( 0.774 -0.924 0.590) 1.342 9.528 ( -0.144 2.729 -0.039) 2.733 9.585 ( 0.124 -2.971 -0.154) 2.978 10.082 ( -0.956 3.180 0.009) 3.321 10.153 ( -0.802 -4.077 -0.017) 4.155 ======================= Grid point 32 (21/56) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.062 4.116 0.042) 4.117 1.661 ( -0.598 0.705 -0.107) 0.931 1.718 ( -0.406 4.264 0.157) 4.286 1.811 ( 0.141 -4.838 -0.277) 4.848 1.990 ( -1.064 3.920 0.412) 4.082 2.057 ( -0.243 -3.283 0.812) 3.391 2.117 ( 0.432 6.531 -0.631) 6.575 2.208 ( 0.730 -1.565 1.064) 2.028 2.238 ( -0.535 3.532 -0.836) 3.669 2.281 ( -0.070 1.171 -0.457) 1.259 2.314 ( -1.818 3.963 0.471) 4.386 2.377 ( 1.320 1.756 0.736) 2.317 2.411 ( 1.018 3.458 -2.905) 4.630 2.427 ( -0.743 2.166 1.032) 2.512 2.457 ( 2.210 -0.267 2.120) 3.074 2.501 ( -1.523 -1.694 -3.357) 4.058 2.600 ( -0.306 1.299 -0.378) 1.387 2.639 ( -3.166 0.552 1.379) 3.498 2.676 ( 0.183 5.029 -1.075) 5.146 2.729 ( -0.288 2.145 0.378) 2.197 2.788 ( -2.023 -5.434 1.155) 5.913 2.862 ( -0.790 -9.845 -0.094) 9.877 2.938 ( -1.355 1.764 0.357) 2.252 3.050 ( 0.006 -9.861 0.668) 9.883 3.467 ( 0.864 3.430 -1.764) 3.953 3.498 ( -1.127 0.229 -1.313) 1.746 3.756 ( 0.572 2.432 2.116) 3.274 3.762 ( -0.028 1.737 1.871) 2.553 3.895 ( 3.195 2.937 0.250) 4.347 3.918 ( 2.831 0.507 1.132) 3.090 4.118 ( 7.466 3.568 -1.818) 8.472 4.135 ( 5.873 2.053 -2.758) 6.805 4.229 ( -4.852 3.692 1.244) 6.222 4.249 ( -4.209 2.072 1.434) 4.906 4.317 ( -4.576 5.296 -0.726) 7.036 4.353 ( -5.562 1.477 -0.944) 5.831 4.646 ( 1.490 3.684 0.230) 3.980 4.668 ( 1.451 1.159 0.342) 1.888 5.143 ( 0.215 1.168 0.033) 1.188 5.153 ( 0.337 0.090 0.002) 0.349 5.714 ( 0.431 4.073 -0.276) 4.105 5.776 ( 2.115 -1.240 0.111) 2.454 5.811 ( 2.030 3.674 -0.011) 4.197 5.901 ( 2.266 -2.438 0.094) 3.329 5.992 ( -0.548 0.131 -0.170) 0.589 6.011 ( -0.711 -2.765 0.302) 2.871 6.270 ( 3.398 2.083 0.147) 3.988 6.304 ( 3.273 -1.489 0.124) 3.598 6.459 ( -2.054 3.937 1.538) 4.699 6.503 ( 0.015 3.527 -1.073) 3.686 6.525 ( -1.095 -2.177 -0.539) 2.496 6.615 ( 2.316 -5.822 -1.296) 6.398 6.679 ( 0.508 0.021 -0.111) 0.520 6.693 ( -0.851 -0.986 0.640) 1.451 6.832 ( -2.769 -0.348 0.365) 2.815 6.840 ( -1.054 -1.018 -0.518) 1.554 6.978 ( -3.712 7.230 0.819) 8.169 7.099 ( -2.595 -2.694 1.183) 3.923 7.140 ( -0.838 1.681 -0.771) 2.031 7.172 ( 0.255 1.103 0.296) 1.170 7.295 ( 1.909 0.664 -0.566) 2.098 7.310 ( 0.096 -0.100 -0.448) 0.469 7.343 ( 1.644 -0.232 0.672) 1.791 7.376 ( 1.330 -3.533 0.174) 3.779 7.513 ( 1.453 2.576 -2.138) 3.649 7.531 ( -0.457 0.870 0.346) 1.042 7.609 ( -0.792 1.691 0.870) 2.060 7.666 ( -0.493 -3.060 0.468) 3.135 7.684 ( -1.038 0.551 -0.718) 1.377 7.709 ( -2.556 -1.246 0.355) 2.865 7.908 ( 5.832 4.418 2.787) 7.830 8.018 ( 5.905 -6.279 0.573) 8.638 8.043 ( -0.039 3.564 -3.857) 5.251 8.084 ( -0.037 0.758 -5.826) 5.875 8.114 ( -3.725 0.192 6.656) 7.630 8.186 ( -5.704 -6.035 -0.329) 8.310 8.509 ( 1.245 2.506 -0.300) 2.814 8.561 ( 2.094 -1.909 -0.108) 2.836 8.639 ( -0.705 1.677 -1.490) 2.352 8.669 ( -3.010 -2.120 1.935) 4.159 8.779 ( 0.741 -0.148 1.869) 2.016 8.796 ( 0.107 -1.931 -1.740) 2.602 8.948 ( -0.799 1.295 -0.373) 1.566 8.999 ( -0.357 -4.116 0.051) 4.132 9.229 ( 0.745 0.013 -0.108) 0.753 9.236 ( 0.424 -0.585 0.550) 0.908 9.526 ( -0.072 2.987 -0.065) 2.989 9.587 ( 0.098 -3.217 -0.085) 3.220 10.063 ( -0.624 3.374 0.004) 3.432 10.138 ( -0.522 -4.185 -0.011) 4.217 ======================= Grid point 65 (22/56) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -3.066 0.000 20.749) 20.974 0.467 ( -0.218 0.000 22.940) 22.941 0.793 ( -2.731 0.000 38.765) 38.861 0.878 ( 1.772 0.000 -18.728) 18.812 0.880 ( -0.252 0.000 -18.795) 18.796 1.368 ( 7.563 0.000 -10.729) 13.127 1.378 ( 0.866 0.000 4.370) 4.455 1.578 ( 0.392 0.000 -0.067) 0.398 1.655 ( -13.997 0.000 1.208) 14.049 1.661 ( 1.460 0.000 -0.059) 1.461 1.732 ( -6.929 0.000 3.375) 7.707 1.811 ( 8.774 0.000 -8.714) 12.366 1.816 ( 5.418 0.000 -3.560) 6.483 1.855 ( -2.173 0.000 -10.177) 10.406 1.978 ( -0.980 0.000 0.092) 0.984 2.023 ( 0.020 0.000 0.107) 0.109 2.084 ( 8.263 0.000 11.210) 13.926 2.111 ( -0.108 0.000 -0.259) 0.281 2.140 ( 0.180 0.000 0.432) 0.468 2.207 ( -3.480 0.000 -2.429) 4.244 2.266 ( -0.318 0.000 0.590) 0.670 2.286 ( -0.005 0.000 -0.055) 0.055 2.392 ( -9.037 0.000 -8.299) 12.270 2.493 ( 1.502 0.000 -0.596) 1.616 2.684 ( 0.539 0.000 -2.869) 2.919 2.859 ( 1.740 0.000 4.225) 4.569 3.070 ( 3.141 0.000 12.346) 12.740 3.270 ( -1.469 0.000 -2.819) 3.179 3.632 ( 0.519 0.000 1.489) 1.577 3.668 ( 0.731 0.000 1.226) 1.427 3.823 ( -1.921 0.000 2.987) 3.551 3.901 ( 4.837 0.000 1.842) 5.175 3.956 ( -1.268 0.000 -4.463) 4.640 3.991 ( -5.995 0.000 -6.075) 8.536 4.230 ( 1.124 0.000 0.885) 1.430 4.270 ( 0.599 0.000 0.514) 0.789 4.938 ( -0.679 0.000 -0.657) 0.944 4.980 ( -0.178 0.000 0.482) 0.514 5.384 ( 3.777 0.000 -2.217) 4.379 5.550 ( 5.201 0.000 2.423) 5.738 5.600 ( 0.107 0.000 0.578) 0.588 5.718 ( 0.427 0.000 0.965) 1.056 5.895 ( 2.570 0.000 -1.343) 2.899 5.902 ( -0.735 0.000 -2.316) 2.430 5.962 ( 3.687 0.000 0.207) 3.693 6.040 ( 1.448 0.000 0.595) 1.566 6.044 ( 0.318 0.000 0.260) 0.410 6.133 ( 1.972 0.000 3.667) 4.163 6.163 ( -13.791 0.000 -0.227) 13.793 6.203 ( 4.305 0.000 -1.129) 4.450 6.243 ( -3.185 0.000 -3.155) 4.483 6.384 ( 5.599 0.000 3.393) 6.547 6.451 ( -5.192 0.000 -3.362) 6.185 6.544 ( 4.277 0.000 2.565) 4.987 6.595 ( -4.365 0.000 -0.672) 4.416 6.667 ( 2.423 0.000 3.510) 4.265 6.753 ( -1.568 0.000 -3.069) 3.446 6.858 ( -0.019 0.000 0.115) 0.117 6.967 ( -3.901 0.000 -1.670) 4.243 6.986 ( -0.243 0.000 0.224) 0.331 6.999 ( 0.845 0.000 0.774) 1.146 7.047 ( -0.003 0.000 -0.984) 0.984 7.099 ( -0.566 0.000 -0.437) 0.715 7.172 ( -0.036 0.000 0.091) 0.098 7.175 ( -1.890 0.000 2.933) 3.489 7.327 ( -1.089 0.000 1.327) 1.717 7.395 ( 2.257 0.000 -1.527) 2.725 7.479 ( 1.585 0.000 -2.242) 2.746 7.600 ( -1.202 0.000 1.837) 2.195 7.610 ( -6.586 0.000 -3.151) 7.301 7.669 ( 0.422 0.000 -0.652) 0.777 7.827 ( 0.371 0.000 -0.528) 0.645 7.865 ( -2.256 0.000 4.866) 5.364 8.000 ( 2.319 0.000 0.346) 2.345 8.268 ( -3.867 0.000 -3.223) 5.034 8.400 ( -1.421 0.000 0.566) 1.529 8.564 ( 2.170 0.000 1.348) 2.555 8.578 ( 6.515 0.000 -0.047) 6.515 8.661 ( -0.754 0.000 -0.373) 0.841 8.747 ( 0.168 0.000 0.635) 0.657 9.122 ( 0.206 0.000 -1.070) 1.090 9.264 ( -10.390 0.000 2.012) 10.583 9.391 ( -0.310 0.000 -2.240) 2.262 9.562 ( 6.767 0.000 -0.654) 6.799 9.598 ( 0.228 0.000 0.218) 0.315 9.672 ( -0.326 0.000 1.111) 1.158 9.921 ( -0.030 0.000 -0.292) 0.293 10.000 ( 4.460 0.000 0.173) 4.463 10.508 ( 2.920 0.000 0.006) 2.920 10.683 ( 0.103 0.000 0.053) 0.115 ======================= Grid point 66 (23/56) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 5.443 0.000 13.326) 14.395 0.649 ( 10.386 0.000 17.206) 20.097 0.735 ( -6.477 0.000 -12.969) 14.497 0.875 ( 5.236 0.000 -16.067) 16.898 1.213 ( 21.195 0.000 19.903) 29.075 1.343 ( -6.022 0.000 0.029) 6.022 1.359 ( -8.938 0.000 7.858) 11.901 1.500 ( -6.933 0.000 0.276) 6.939 1.583 ( -5.629 0.000 4.264) 7.062 1.616 ( 5.480 0.000 -2.573) 6.054 1.644 ( -4.019 0.000 -1.999) 4.488 1.781 ( 11.664 0.000 -22.955) 25.749 1.796 ( -11.599 0.000 8.065) 14.128 1.921 ( 4.965 0.000 -0.857) 5.039 1.932 ( -14.705 0.000 0.556) 14.716 2.000 ( 2.819 0.000 -0.076) 2.820 2.055 ( 2.143 0.000 0.380) 2.176 2.101 ( -0.921 0.000 -0.086) 0.925 2.124 ( -10.682 0.000 -9.897) 14.562 2.134 ( -0.488 0.000 0.108) 0.500 2.266 ( 1.213 0.000 4.358) 4.524 2.313 ( 2.070 0.000 -0.020) 2.070 2.366 ( 10.750 0.000 -2.458) 11.028 2.630 ( 9.253 0.000 3.846) 10.021 2.666 ( 2.562 0.000 -0.787) 2.680 3.087 ( 9.997 0.000 -0.754) 10.025 3.174 ( -10.265 0.000 1.582) 10.387 3.246 ( 7.312 0.000 3.017) 7.909 3.361 ( -14.761 0.000 1.947) 14.889 3.571 ( -5.641 0.000 -0.097) 5.642 3.690 ( -12.696 0.000 -5.834) 13.972 3.816 ( -7.676 0.000 2.934) 8.218 4.032 ( 2.390 0.000 3.325) 4.095 4.054 ( 7.040 0.000 1.747) 7.254 4.232 ( -0.571 0.000 0.417) 0.707 4.300 ( 2.032 0.000 -2.975) 3.603 4.868 ( -4.895 0.000 -0.408) 4.912 4.947 ( -2.250 0.000 0.491) 2.303 5.326 ( -5.258 0.000 -5.370) 7.516 5.390 ( -7.386 0.000 3.874) 8.340 5.612 ( 0.843 0.000 0.147) 0.856 5.620 ( -5.251 0.000 1.176) 5.381 5.778 ( 1.779 0.000 -0.707) 1.915 5.885 ( -0.620 0.000 -0.024) 0.620 5.953 ( 1.582 0.000 5.171) 5.408 6.052 ( 0.666 0.000 -0.379) 0.766 6.142 ( -1.880 0.000 -2.087) 2.809 6.214 ( -0.129 0.000 3.878) 3.880 6.245 ( 7.123 0.000 -2.411) 7.520 6.343 ( -3.360 0.000 -3.081) 4.559 6.353 ( 8.183 0.000 -2.166) 8.465 6.435 ( 5.170 0.000 3.476) 6.230 6.498 ( 4.210 0.000 2.848) 5.083 6.580 ( 9.459 0.000 -8.521) 12.731 6.677 ( 4.465 0.000 2.005) 4.895 6.699 ( 0.088 0.000 -2.876) 2.877 6.761 ( 2.951 0.000 1.434) 3.281 6.851 ( -2.927 0.000 1.037) 3.105 6.872 ( 1.263 0.000 0.449) 1.341 6.953 ( -2.657 0.000 0.149) 2.661 7.012 ( 0.070 0.000 -0.848) 0.851 7.044 ( 0.069 0.000 0.009) 0.069 7.116 ( -3.144 0.000 1.228) 3.376 7.184 ( 0.936 0.000 0.096) 0.941 7.266 ( 6.489 0.000 2.785) 7.061 7.295 ( -2.108 0.000 0.970) 2.320 7.446 ( 0.005 0.000 2.727) 2.727 7.500 ( 5.036 0.000 -4.241) 6.584 7.507 ( 1.709 0.000 -2.602) 3.113 7.575 ( -1.706 0.000 2.355) 2.908 7.670 ( -0.066 0.000 -0.438) 0.443 7.788 ( -2.876 0.000 -0.918) 3.019 7.886 ( 0.726 0.000 3.803) 3.872 8.058 ( -2.604 0.000 -2.754) 3.790 8.248 ( 1.276 0.000 4.253) 4.440 8.354 ( -10.362 0.000 0.228) 10.364 8.395 ( 0.415 0.000 0.744) 0.852 8.604 ( -1.445 0.000 -3.959) 4.214 8.717 ( 0.645 0.000 -1.788) 1.901 8.841 ( 4.138 0.000 -1.484) 4.396 9.052 ( -0.328 0.000 1.804) 1.833 9.221 ( -1.021 0.000 4.769) 4.877 9.331 ( -3.605 0.000 -0.398) 3.627 9.648 ( 6.859 0.000 -1.225) 6.968 9.692 ( 2.771 0.000 1.540) 3.170 9.750 ( 6.477 0.000 -2.989) 7.133 9.911 ( -0.863 0.000 -0.223) 0.891 10.028 ( -0.650 0.000 -5.000) 5.042 10.421 ( -7.802 0.000 1.370) 7.921 10.647 ( -3.012 0.000 -0.097) 3.014 ======================= Grid point 67 (24/56) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -7.202 0.000 2.792) 7.725 0.716 ( 13.907 0.000 6.577) 15.383 0.923 ( 11.778 0.000 8.217) 14.361 0.984 ( 7.795 0.000 -6.662) 10.254 1.145 ( -11.229 0.000 0.549) 11.242 1.224 ( 3.210 0.000 -7.532) 8.187 1.343 ( -7.977 0.000 -4.011) 8.929 1.385 ( -20.810 0.000 1.515) 20.865 1.531 ( -1.594 0.000 1.448) 2.154 1.563 ( -2.092 0.000 1.121) 2.373 1.564 ( -7.745 0.000 13.749) 15.780 1.599 ( 3.638 0.000 -6.588) 7.526 1.883 ( -7.118 0.000 -0.262) 7.123 2.004 ( 3.127 0.000 0.277) 3.139 2.009 ( 15.569 0.000 4.116) 16.104 2.045 ( 0.569 0.000 -0.446) 0.723 2.073 ( -0.277 0.000 -0.247) 0.372 2.094 ( 0.531 0.000 0.036) 0.532 2.128 ( -0.189 0.000 0.269) 0.329 2.182 ( 20.590 0.000 -1.318) 20.632 2.347 ( 1.012 0.000 -0.006) 1.012 2.353 ( 11.325 0.000 -9.071) 14.510 2.551 ( 3.890 0.000 -2.647) 4.705 2.674 ( -0.273 0.000 -0.345) 0.440 2.698 ( -19.229 0.000 0.074) 19.229 2.837 ( -0.248 0.000 7.637) 7.641 3.066 ( -9.107 0.000 -5.119) 10.447 3.209 ( -5.507 0.000 -6.924) 8.847 3.424 ( 4.323 0.000 3.406) 5.504 3.470 ( -9.300 0.000 6.359) 11.266 3.530 ( 3.624 0.000 2.144) 4.210 3.714 ( -0.087 0.000 -5.456) 5.456 4.020 ( -3.056 0.000 5.204) 6.035 4.154 ( 1.858 0.000 3.993) 4.404 4.224 ( -0.414 0.000 0.042) 0.416 4.324 ( 1.309 0.000 -5.039) 5.206 4.794 ( -1.193 0.000 -1.426) 1.859 4.915 ( -1.242 0.000 -0.293) 1.276 5.277 ( 0.596 0.000 -1.645) 1.750 5.293 ( -3.562 0.000 3.016) 4.668 5.602 ( 0.910 0.000 -1.924) 2.128 5.626 ( 0.388 0.000 -0.300) 0.491 5.791 ( -0.340 0.000 1.267) 1.311 5.881 ( 0.157 0.000 1.568) 1.576 6.071 ( 7.054 0.000 2.221) 7.396 6.074 ( 1.369 0.000 -0.495) 1.456 6.104 ( -0.542 0.000 -1.521) 1.615 6.169 ( -4.004 0.000 -0.910) 4.106 6.285 ( -4.159 0.000 0.711) 4.219 6.338 ( 1.679 0.000 2.042) 2.644 6.367 ( 1.844 0.000 -4.409) 4.779 6.549 ( 0.306 0.000 0.670) 0.737 6.600 ( 5.231 0.000 2.833) 5.949 6.684 ( 2.069 0.000 -2.414) 3.180 6.705 ( 1.355 0.000 -2.518) 2.859 6.720 ( 1.722 0.000 3.718) 4.097 6.817 ( 1.613 0.000 1.144) 1.978 6.853 ( 0.941 0.000 -1.936) 2.152 6.899 ( -1.834 0.000 0.170) 1.842 6.911 ( 1.927 0.000 1.111) 2.224 6.992 ( -1.655 0.000 -1.868) 2.496 7.037 ( -4.750 0.000 -0.729) 4.806 7.049 ( -0.057 0.000 1.398) 1.399 7.200 ( 0.476 0.000 0.065) 0.481 7.266 ( -0.355 0.000 -0.937) 1.002 7.273 ( -0.782 0.000 2.058) 2.202 7.513 ( -1.204 0.000 1.288) 1.763 7.550 ( 6.514 0.000 -2.077) 6.837 7.565 ( 0.910 0.000 -1.043) 1.384 7.636 ( 4.226 0.000 1.936) 4.648 7.665 ( -0.355 0.000 0.135) 0.380 7.745 ( -0.209 0.000 -1.054) 1.075 7.902 ( -1.137 0.000 4.049) 4.206 7.976 ( -0.361 0.000 -3.027) 3.049 8.107 ( -9.906 0.000 -0.335) 9.911 8.223 ( -3.943 0.000 -3.028) 4.972 8.513 ( 4.160 0.000 1.168) 4.321 8.563 ( -0.036 0.000 2.767) 2.768 8.720 ( 0.830 0.000 -2.418) 2.556 8.878 ( 0.455 0.000 0.131) 0.474 9.100 ( 3.303 0.000 -0.624) 3.362 9.176 ( -3.330 0.000 0.113) 3.332 9.299 ( -0.374 0.000 3.236) 3.258 9.712 ( 0.187 0.000 -0.571) 0.601 9.807 ( 6.589 0.000 -1.384) 6.732 9.845 ( 3.279 0.000 -0.116) 3.281 9.896 ( 0.089 0.000 -0.559) 0.566 9.972 ( -3.617 0.000 -2.968) 4.679 10.296 ( -4.691 0.000 3.269) 5.718 10.597 ( -1.261 0.000 -0.918) 1.560 ======================= Grid point 68 (25/56) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 7.170 0.000 1.997) 7.443 0.824 ( -15.669 0.000 5.922) 16.751 0.925 ( -20.473 0.000 -6.206) 21.393 1.018 ( 12.500 0.000 6.454) 14.068 1.120 ( 3.016 0.000 -5.866) 6.596 1.177 ( -0.518 0.000 -3.936) 3.970 1.251 ( 10.804 0.000 3.786) 11.448 1.368 ( 1.564 0.000 3.925) 4.225 1.509 ( 9.062 0.000 2.284) 9.345 1.531 ( 2.088 0.000 0.894) 2.271 1.582 ( 2.892 0.000 0.151) 2.896 1.755 ( 11.472 0.000 -2.010) 11.647 1.826 ( -12.603 0.000 7.168) 14.499 1.915 ( -10.610 0.000 -1.218) 10.680 1.990 ( -3.867 0.000 0.804) 3.950 2.064 ( -0.987 0.000 -1.411) 1.722 2.070 ( 1.865 0.000 -0.116) 1.868 2.093 ( -0.687 0.000 0.119) 0.697 2.124 ( -0.326 0.000 0.620) 0.701 2.191 ( -4.714 0.000 0.428) 4.733 2.347 ( -1.003 0.000 -0.010) 1.003 2.455 ( -14.796 0.000 -6.747) 16.261 2.543 ( -7.938 0.000 -6.157) 10.046 2.724 ( 3.869 0.000 -5.605) 6.810 2.803 ( 16.798 0.000 -9.075) 19.092 2.855 ( 24.805 0.000 6.165) 25.559 3.002 ( -8.349 0.000 0.627) 8.372 3.112 ( 3.945 0.000 -0.101) 3.946 3.262 ( -10.772 0.000 15.746) 19.078 3.506 ( -0.168 0.000 2.864) 2.869 3.587 ( 0.690 0.000 -4.105) 4.162 3.756 ( 5.700 0.000 -5.315) 7.793 4.022 ( 2.024 0.000 5.880) 6.219 4.183 ( -0.313 0.000 3.583) 3.597 4.219 ( 0.421 0.000 -0.318) 0.527 4.308 ( -1.322 0.000 -5.192) 5.357 4.786 ( -0.061 0.000 -1.039) 1.040 4.905 ( 0.743 0.000 0.433) 0.860 5.242 ( -2.161 0.000 1.685) 2.740 5.326 ( 3.965 0.000 -0.267) 3.974 5.607 ( 0.342 0.000 -2.226) 2.252 5.622 ( -0.720 0.000 0.002) 0.720 5.774 ( -1.984 0.000 2.277) 3.020 5.901 ( 1.286 0.000 0.544) 1.396 6.077 ( -0.377 0.000 -0.948) 1.020 6.086 ( -2.599 0.000 -0.694) 2.690 6.136 ( -3.090 0.000 -1.388) 3.387 6.150 ( 3.741 0.000 0.862) 3.839 6.221 ( -1.499 0.000 3.166) 3.503 6.359 ( -0.469 0.000 -2.358) 2.404 6.368 ( 0.305 0.000 -0.094) 0.319 6.537 ( -1.014 0.000 1.366) 1.702 6.616 ( -4.532 0.000 3.342) 5.631 6.666 ( -1.464 0.000 -3.302) 3.612 6.701 ( -1.678 0.000 -2.022) 2.627 6.771 ( -2.230 0.000 2.103) 3.065 6.823 ( -0.795 0.000 0.508) 0.943 6.845 ( 0.629 0.000 -2.696) 2.769 6.902 ( 2.137 0.000 -0.144) 2.142 6.932 ( -2.719 0.000 0.912) 2.868 6.960 ( 1.186 0.000 -0.481) 1.280 7.018 ( 5.765 0.000 0.488) 5.785 7.048 ( -0.271 0.000 1.096) 1.129 7.200 ( -0.456 0.000 0.037) 0.457 7.283 ( 2.209 0.000 -2.016) 2.991 7.332 ( 5.564 0.000 -2.289) 6.017 7.483 ( -9.011 0.000 3.128) 9.539 7.486 ( -1.719 0.000 2.309) 2.879 7.589 ( 1.556 0.000 -1.814) 2.390 7.660 ( -0.244 0.000 0.572) 0.622 7.700 ( -6.605 0.000 -2.799) 7.174 7.752 ( 2.418 0.000 -2.596) 3.547 7.859 ( 1.446 0.000 6.972) 7.120 7.981 ( -0.591 0.000 -1.950) 2.037 8.111 ( 8.998 0.000 -1.566) 9.134 8.179 ( 1.798 0.000 1.029) 2.072 8.490 ( -2.883 0.000 1.612) 3.303 8.632 ( 2.153 0.000 -2.002) 2.940 8.727 ( 0.189 0.000 -1.874) 1.884 8.868 ( -1.612 0.000 1.071) 1.935 9.102 ( -2.693 0.000 -1.952) 3.326 9.176 ( 3.424 0.000 0.972) 3.559 9.316 ( 1.099 0.000 2.414) 2.653 9.692 ( -2.009 0.000 0.466) 2.062 9.827 ( -4.211 0.000 -1.182) 4.373 9.862 ( -2.409 0.000 -3.546) 4.287 9.896 ( 0.055 0.000 -0.714) 0.716 9.941 ( 2.095 0.000 -0.410) 2.135 10.271 ( 1.018 0.000 5.174) 5.273 10.602 ( 2.055 0.000 -1.209) 2.385 ======================= Grid point 69 (26/56) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -14.915 0.000 6.961) 16.460 0.554 ( -13.117 0.000 15.259) 20.122 0.761 ( 9.341 0.000 -13.403) 16.336 0.986 ( -4.661 0.000 -16.310) 16.963 1.133 ( -23.740 0.000 25.347) 34.729 1.302 ( 5.223 0.000 4.474) 6.877 1.319 ( -0.215 0.000 8.535) 8.537 1.467 ( 8.866 0.000 2.054) 9.100 1.501 ( 10.306 0.000 -5.971) 11.911 1.606 ( 3.722 0.000 1.886) 4.172 1.671 ( 6.462 0.000 -2.821) 7.051 1.831 ( 13.943 0.000 8.671) 16.419 1.890 ( -6.248 0.000 0.924) 6.316 1.933 ( -2.219 0.000 -2.327) 3.215 1.997 ( -5.360 0.000 -25.707) 26.260 2.018 ( -2.526 0.000 -1.117) 2.762 2.043 ( 7.189 0.000 -1.867) 7.427 2.058 ( -2.468 0.000 0.244) 2.480 2.106 ( 1.126 0.000 -0.556) 1.256 2.126 ( 0.447 0.000 0.822) 0.936 2.304 ( 7.688 0.000 0.237) 7.692 2.313 ( -2.057 0.000 -0.033) 2.057 2.385 ( -5.271 0.000 -2.824) 5.980 2.659 ( -8.907 0.000 -0.294) 8.912 2.729 ( -9.598 0.000 -7.152) 11.970 2.991 ( -5.722 0.000 11.411) 12.765 3.063 ( -4.542 0.000 10.771) 11.689 3.288 ( 6.651 0.000 -5.534) 8.652 3.411 ( 12.365 0.000 -2.122) 12.546 3.495 ( 13.417 0.000 7.510) 15.376 3.638 ( 5.259 0.000 -1.140) 5.382 3.875 ( 5.230 0.000 -1.392) 5.412 4.066 ( -0.827 0.000 1.858) 2.033 4.127 ( -6.405 0.000 -2.620) 6.920 4.219 ( -1.206 0.000 0.774) 1.433 4.272 ( -0.112 0.000 -1.636) 1.640 4.824 ( 5.819 0.000 4.141) 7.142 4.943 ( 2.383 0.000 0.595) 2.456 5.221 ( 0.628 0.000 4.147) 4.195 5.415 ( 3.997 0.000 -0.678) 4.054 5.605 ( -0.762 0.000 0.518) 0.922 5.655 ( 7.437 0.000 -1.420) 7.571 5.730 ( -2.622 0.000 2.967) 3.959 5.918 ( 0.312 0.000 -2.445) 2.465 6.042 ( -0.715 0.000 0.371) 0.806 6.072 ( -2.294 0.000 -0.543) 2.358 6.091 ( 1.046 0.000 2.110) 2.355 6.117 ( -7.762 0.000 2.472) 8.146 6.247 ( 5.012 0.000 1.238) 5.162 6.336 ( -2.468 0.000 -2.662) 3.630 6.355 ( -6.828 0.000 0.358) 6.837 6.454 ( -5.848 0.000 1.998) 6.180 6.528 ( -1.286 0.000 1.096) 1.690 6.571 ( -8.163 0.000 -8.229) 11.591 6.647 ( -2.013 0.000 0.412) 2.055 6.699 ( -4.355 0.000 1.010) 4.470 6.797 ( -1.721 0.000 -1.448) 2.249 6.877 ( -2.008 0.000 0.331) 2.035 6.899 ( 5.242 0.000 -3.206) 6.145 6.957 ( 2.571 0.000 -0.081) 2.572 6.982 ( 0.812 0.000 0.985) 1.277 7.048 ( 0.073 0.000 -0.211) 0.223 7.165 ( 5.435 0.000 -3.691) 6.570 7.185 ( -0.972 0.000 0.045) 0.973 7.289 ( -8.672 0.000 3.348) 9.296 7.321 ( 1.531 0.000 -0.586) 1.640 7.393 ( -4.330 0.000 -0.509) 4.360 7.468 ( -0.313 0.000 0.401) 0.509 7.601 ( 4.203 0.000 -6.794) 7.989 7.607 ( 0.326 0.000 -0.124) 0.348 7.661 ( 0.296 0.000 0.046) 0.299 7.785 ( 2.295 0.000 -1.444) 2.712 7.887 ( -0.143 0.000 4.620) 4.622 8.017 ( 1.320 0.000 -0.619) 1.458 8.260 ( 8.660 0.000 8.221) 11.941 8.333 ( 8.106 0.000 -3.275) 8.743 8.430 ( -3.464 0.000 0.291) 3.476 8.597 ( -3.555 0.000 -5.942) 6.925 8.712 ( -1.441 0.000 0.088) 1.444 8.818 ( -3.950 0.000 1.084) 4.096 9.072 ( 1.341 0.000 -1.725) 2.185 9.266 ( 5.654 0.000 0.960) 5.735 9.358 ( 2.777 0.000 0.116) 2.779 9.626 ( -5.793 0.000 -0.346) 5.804 9.707 ( -5.904 0.000 1.739) 6.154 9.756 ( -7.535 0.000 -8.176) 11.118 9.912 ( 0.981 0.000 -0.139) 0.991 9.943 ( -0.824 0.000 3.592) 3.685 10.362 ( 6.068 0.000 6.632) 8.989 10.653 ( 2.679 0.000 -0.601) 2.746 ======================= Grid point 70 (27/56) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -3.582 12.115 15.048) 19.649 0.586 ( 1.987 13.825 14.635) 20.230 0.901 ( 3.505 3.417 -15.874) 16.612 0.942 ( -0.974 5.647 -17.874) 18.770 1.146 ( -2.007 27.314 22.614) 35.518 1.396 ( 2.101 5.784 6.590) 9.016 1.508 ( -3.330 6.436 7.288) 10.277 1.554 ( -1.707 -2.494 -0.842) 3.138 1.630 ( 5.313 5.950 -4.226) 9.027 1.726 ( -0.393 5.260 0.626) 5.312 1.807 ( -7.178 10.138 -2.817) 12.737 1.891 ( -1.930 5.122 -10.219) 11.593 1.924 ( 1.283 9.702 -5.710) 11.331 1.963 ( 5.709 9.475 -3.221) 11.521 2.063 ( 4.130 3.719 4.622) 7.229 2.091 ( -1.094 9.461 0.666) 9.547 2.157 ( 2.832 5.397 1.354) 6.243 2.227 ( 0.561 5.749 -3.047) 6.531 2.241 ( -0.042 10.687 1.987) 10.871 2.261 ( -1.695 9.063 -0.028) 9.221 2.284 ( -0.772 4.677 1.497) 4.971 2.406 ( -1.108 10.900 -1.663) 11.082 2.448 ( -8.631 6.082 -4.681) 11.549 2.499 ( 2.272 1.385 -2.066) 3.368 2.708 ( 0.973 3.300 -3.216) 4.709 2.868 ( 1.979 1.093 2.876) 3.658 3.108 ( 2.914 4.203 12.716) 13.706 3.273 ( -1.627 0.692 -2.715) 3.239 3.609 ( 0.506 -2.486 1.721) 3.066 3.657 ( -0.262 -1.064 0.871) 1.400 3.790 ( 0.755 -2.423 5.115) 5.709 3.864 ( 4.376 -3.795 2.184) 6.190 3.936 ( -2.981 -1.848 -4.382) 5.613 3.966 ( -4.994 -2.111 -6.434) 8.414 4.185 ( 0.839 -3.916 0.436) 4.028 4.238 ( 0.711 -3.126 0.385) 3.229 4.802 ( 0.989 -7.914 2.103) 8.248 4.903 ( -0.174 -7.116 0.392) 7.129 5.208 ( 0.486 -5.066 3.077) 5.947 5.302 ( -0.234 -8.240 -3.637) 9.010 5.559 ( -0.551 -8.065 -1.523) 8.226 5.675 ( 1.776 -1.581 2.254) 3.276 5.908 ( 1.094 -2.802 2.023) 3.625 5.946 ( -3.405 -3.635 -1.001) 5.081 6.022 ( -2.542 -1.672 -0.178) 3.048 6.088 ( -0.049 4.503 0.204) 4.508 6.123 ( 2.468 6.769 -2.555) 7.644 6.202 ( 0.223 8.391 1.231) 8.484 6.226 ( 2.386 4.730 1.536) 5.516 6.373 ( -1.846 10.585 -0.057) 10.745 6.447 ( 3.286 7.332 1.290) 8.138 6.506 ( -3.771 6.135 -2.248) 7.544 6.542 ( 3.970 0.454 -0.123) 3.997 6.556 ( -5.226 -0.021 0.234) 5.231 6.664 ( 4.499 12.657 -8.256) 15.767 6.711 ( 2.010 3.585 3.243) 5.236 6.783 ( -1.381 2.732 -3.310) 4.509 6.825 ( 1.422 -2.058 0.056) 2.502 6.930 ( -0.260 -0.036 -3.626) 3.636 6.973 ( -1.429 0.347 0.335) 1.509 7.032 ( -0.888 0.645 -0.226) 1.121 7.084 ( -1.780 3.963 -0.149) 4.347 7.119 ( 0.763 0.878 -0.835) 1.432 7.212 ( -1.065 4.251 1.493) 4.629 7.267 ( -0.429 7.814 0.519) 7.843 7.372 ( -0.001 4.126 0.538) 4.161 7.435 ( 2.244 -1.751 -1.992) 3.474 7.488 ( 0.993 5.898 -0.368) 5.993 7.580 ( -1.251 -1.041 -0.277) 1.651 7.658 ( -1.705 0.757 -1.922) 2.678 7.675 ( 0.293 2.189 -2.488) 3.327 7.824 ( 0.054 -0.224 -0.243) 0.335 7.885 ( -1.571 1.683 3.339) 4.056 8.094 ( 2.258 7.111 0.864) 7.510 8.303 ( -4.383 2.949 -6.036) 8.021 8.413 ( -2.039 0.800 1.228) 2.511 8.562 ( -2.109 -0.897 -0.162) 2.298 8.574 ( 4.130 -1.245 -0.973) 4.422 8.694 ( 1.499 2.889 -3.759) 4.972 8.722 ( 1.867 -2.267 -0.131) 2.939 9.101 ( 0.575 -2.156 -0.647) 2.323 9.242 ( -9.010 -2.076 2.338) 9.537 9.363 ( 0.520 -2.696 -2.016) 3.406 9.532 ( 5.744 -2.769 0.439) 6.392 9.554 ( -0.610 -4.285 0.289) 4.337 9.637 ( -0.296 -3.504 0.883) 3.626 9.891 ( 2.691 -8.230 3.258) 9.251 9.896 ( 0.576 -2.909 0.108) 2.968 10.358 ( 0.370 -10.045 5.630) 11.521 10.641 ( -0.114 -3.745 -0.374) 3.766 ======================= Grid point 71 (28/56) ======================= q-point: ( 0.20 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 5.298 12.788 7.026) 15.523 0.750 ( 0.706 8.299 -2.146) 8.601 0.823 ( 5.667 9.652 7.364) 13.398 1.007 ( 6.953 8.520 -16.071) 19.473 1.281 ( -5.669 0.968 5.100) 7.686 1.418 ( 11.265 14.478 10.086) 20.934 1.464 ( -5.312 7.636 0.625) 9.323 1.580 ( 1.413 4.133 6.177) 7.565 1.649 ( -6.943 6.294 1.672) 9.519 1.658 ( -3.446 7.700 0.503) 8.451 1.707 ( 1.294 8.479 4.708) 9.784 1.847 ( -0.212 6.895 -6.472) 9.459 1.893 ( 2.527 10.730 -7.764) 13.483 1.985 ( -14.270 6.990 -0.506) 15.898 2.016 ( 0.152 6.460 0.302) 6.469 2.105 ( -0.979 4.956 -6.275) 8.056 2.112 ( 0.772 8.888 -0.878) 8.965 2.159 ( -2.169 6.664 -0.941) 7.071 2.228 ( 0.665 8.060 -0.738) 8.121 2.270 ( -2.964 12.838 -1.157) 13.227 2.326 ( -0.446 6.563 1.597) 6.769 2.389 ( 7.340 6.277 -2.515) 9.980 2.405 ( 4.803 6.876 -0.469) 8.401 2.646 ( 9.466 1.940 4.167) 10.523 2.672 ( 1.227 1.120 -1.371) 2.154 3.092 ( 9.680 0.400 -1.823) 9.858 3.182 ( -7.766 1.056 2.568) 8.248 3.281 ( 7.170 3.765 3.486) 8.817 3.355 ( -15.933 -0.580 1.104) 15.982 3.556 ( -5.696 -1.259 0.733) 5.880 3.671 ( -11.563 -1.933 -5.694) 13.034 3.802 ( -7.136 -1.209 2.352) 7.610 3.997 ( 1.748 -3.674 2.969) 5.037 4.025 ( 7.236 -2.640 2.272) 8.030 4.198 ( 0.298 -3.136 0.120) 3.153 4.265 ( 2.010 -3.357 -3.127) 5.008 4.781 ( -2.979 -6.855 -1.001) 7.541 4.886 ( -0.543 -5.405 0.539) 5.459 5.221 ( -0.056 -6.233 2.803) 6.835 5.262 ( -2.026 -5.119 -2.658) 6.114 5.534 ( 0.014 -4.307 -1.628) 4.604 5.696 ( 0.022 -0.255 -0.724) 0.768 5.895 ( -0.459 3.169 2.927) 4.338 5.962 ( 2.226 3.163 1.723) 4.234 6.014 ( 2.164 4.501 -1.087) 5.111 6.099 ( 1.278 4.468 -0.325) 4.658 6.179 ( 1.152 2.239 -0.989) 2.706 6.250 ( 3.342 4.946 3.582) 6.962 6.260 ( 2.236 3.591 -1.740) 4.574 6.361 ( -4.445 3.656 -2.866) 6.430 6.410 ( -3.752 0.102 -3.103) 4.870 6.451 ( 3.086 3.852 3.602) 6.110 6.553 ( 2.912 3.968 1.877) 5.267 6.649 ( 3.113 -0.381 3.505) 4.703 6.722 ( 2.564 3.919 -3.285) 5.721 6.753 ( 1.574 6.230 -5.183) 8.255 6.791 ( 1.826 6.094 -1.406) 6.515 6.837 ( -0.840 -0.278 -3.080) 3.204 6.872 ( 1.259 0.885 1.797) 2.366 6.957 ( -1.234 0.618 1.006) 1.707 7.032 ( 0.233 1.245 0.606) 1.404 7.042 ( -1.721 1.642 0.418) 2.415 7.169 ( -1.142 -1.262 0.773) 1.869 7.183 ( -0.488 1.715 0.323) 1.812 7.256 ( -0.903 6.878 0.302) 6.943 7.336 ( -3.723 0.446 2.380) 4.441 7.452 ( 0.498 -0.559 1.035) 1.278 7.533 ( 4.442 3.618 -5.984) 8.284 7.556 ( 0.329 2.597 1.661) 3.100 7.615 ( 0.781 4.661 -1.534) 4.968 7.675 ( -0.039 1.244 -0.236) 1.266 7.791 ( -2.475 0.204 -0.269) 2.498 7.903 ( 1.214 1.203 3.811) 4.176 8.103 ( -4.508 4.347 -4.059) 7.463 8.269 ( 1.090 1.995 4.035) 4.632 8.357 ( -7.329 -0.098 1.365) 7.456 8.432 ( -1.429 3.403 1.404) 3.949 8.592 ( -0.759 -1.372 -3.439) 3.779 8.703 ( 0.567 -1.510 -2.011) 2.578 8.827 ( 3.553 -1.338 -3.021) 4.852 9.039 ( -1.184 -1.287 1.992) 2.651 9.198 ( -0.535 -2.524 5.410) 5.994 9.303 ( -4.372 -2.454 -1.288) 5.176 9.605 ( 6.355 -4.325 -0.589) 7.710 9.657 ( 2.684 -3.385 1.286) 4.507 9.704 ( 6.549 -4.563 -2.750) 8.442 9.884 ( -0.927 -3.145 -0.008) 3.278 9.939 ( 0.618 -7.517 -3.348) 8.252 10.317 ( -4.940 -8.455 3.713) 10.472 10.612 ( -2.288 -3.205 -0.403) 3.959 ======================= Grid point 72 (29/56) ======================= q-point: ( 0.40 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -5.078 6.195 0.937) 8.065 0.813 ( 8.791 9.615 7.630) 15.098 1.096 ( 12.353 13.177 9.142) 20.243 1.120 ( 8.707 7.558 -10.661) 15.703 1.239 ( 1.462 6.909 -4.264) 8.249 1.270 ( -7.832 8.208 2.184) 11.554 1.399 ( -14.854 5.790 -0.555) 15.952 1.518 ( -7.760 7.214 0.420) 10.603 1.567 ( 0.056 5.536 1.102) 5.645 1.613 ( -2.395 8.760 -1.349) 9.181 1.664 ( -6.947 8.313 -1.198) 10.900 1.764 ( -0.408 15.301 3.633) 15.731 1.894 ( -7.278 2.084 -2.780) 8.065 2.044 ( 5.505 4.101 0.332) 6.873 2.053 ( 7.988 6.605 1.929) 10.543 2.108 ( 1.066 6.551 1.780) 6.871 2.155 ( 7.711 6.805 3.397) 10.831 2.188 ( 2.155 8.998 0.255) 9.255 2.201 ( -1.539 10.566 -0.876) 10.713 2.311 ( 7.710 8.923 4.241) 12.532 2.415 ( 7.175 8.501 -8.272) 13.863 2.442 ( 6.909 7.454 -3.584) 10.777 2.588 ( 7.560 4.231 -5.312) 10.162 2.669 ( -0.271 -0.480 -0.012) 0.551 2.735 ( -19.706 4.415 0.685) 20.206 2.846 ( -0.585 1.082 7.791) 7.888 3.093 ( -8.129 2.642 -3.529) 9.248 3.221 ( -5.967 1.342 -7.811) 9.921 3.400 ( 4.724 -2.660 2.395) 5.927 3.465 ( -8.736 -0.470 6.702) 11.021 3.535 ( 2.492 1.064 2.374) 3.602 3.705 ( 0.409 -0.762 -5.727) 5.791 3.987 ( -2.808 -3.074 5.279) 6.723 4.121 ( 1.900 -3.242 3.946) 5.449 4.197 ( -0.393 -2.641 -0.100) 2.672 4.294 ( 1.595 -2.882 -4.902) 5.906 4.733 ( -0.674 -5.365 -0.629) 5.443 4.881 ( -0.403 -3.250 -0.590) 3.328 5.215 ( -1.439 -4.760 2.078) 5.389 5.241 ( 0.783 -3.638 -1.042) 3.865 5.547 ( 1.161 -3.288 -2.300) 4.178 5.688 ( -0.548 1.278 -0.224) 1.409 5.911 ( 0.592 11.537 2.330) 11.785 6.005 ( 0.761 6.362 1.048) 6.493 6.084 ( 5.122 4.764 1.514) 7.157 6.145 ( 3.323 4.730 -0.859) 5.844 6.170 ( -0.959 4.716 -0.908) 4.898 6.249 ( -5.072 2.853 -3.609) 6.848 6.258 ( -3.901 -1.158 0.751) 4.137 6.321 ( 3.320 3.112 2.955) 5.426 6.388 ( 2.477 1.015 -3.048) 4.057 6.496 ( -2.011 -2.849 2.469) 4.273 6.595 ( 1.175 -0.402 -1.273) 1.779 6.698 ( 2.003 -1.087 4.444) 4.994 6.730 ( 0.526 1.276 -1.830) 2.292 6.788 ( 2.421 7.659 -0.973) 8.091 6.811 ( 1.535 0.699 -0.996) 1.959 6.863 ( 1.145 1.602 -1.378) 2.403 6.915 ( -0.918 1.427 0.366) 1.736 6.937 ( 2.033 2.526 0.739) 3.326 7.005 ( -2.368 -0.913 1.136) 2.781 7.011 ( -3.240 2.160 -0.626) 3.944 7.096 ( -2.806 2.547 0.387) 3.809 7.197 ( 0.820 -5.049 -1.114) 5.235 7.245 ( 0.021 5.395 0.080) 5.396 7.293 ( 0.479 1.723 0.491) 1.855 7.469 ( -0.675 -2.481 0.631) 2.647 7.546 ( 0.964 -0.753 0.187) 1.238 7.602 ( 0.160 1.425 -4.116) 4.359 7.674 ( 0.207 1.752 0.957) 2.007 7.701 ( 6.066 5.600 2.803) 8.718 7.760 ( -0.120 1.185 -0.206) 1.208 7.923 ( -2.052 0.967 4.225) 4.795 8.004 ( -1.285 2.617 -3.782) 4.775 8.157 ( -6.614 4.292 -0.136) 7.886 8.246 ( -4.335 2.579 -2.770) 5.754 8.523 ( 3.159 0.873 0.483) 3.312 8.563 ( 0.601 -0.089 3.310) 3.365 8.707 ( 0.764 -1.329 -2.361) 2.815 8.853 ( 0.178 -2.509 -0.501) 2.565 9.074 ( 2.817 -2.647 0.259) 3.874 9.164 ( -3.397 -1.085 -0.131) 3.568 9.255 ( -0.333 -4.275 2.455) 4.941 9.682 ( 0.324 -2.927 -0.358) 2.966 9.748 ( 6.078 -5.918 -0.371) 8.491 9.801 ( 3.377 -4.544 -0.709) 5.705 9.863 ( -1.123 -3.870 0.216) 4.036 9.910 ( -2.059 -4.941 -3.168) 6.220 10.234 ( -3.519 -5.745 3.158) 7.440 10.570 ( -1.151 -2.571 -0.773) 2.921 ======================= Grid point 73 (30/56) ======================= q-point: (-0.40 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 5.551 6.650 0.854) 8.704 0.915 ( -9.814 4.661 9.131) 14.192 1.001 ( -12.858 7.502 -8.771) 17.278 1.092 ( -0.298 10.566 6.638) 12.482 1.287 ( -3.959 6.131 -5.297) 9.018 1.326 ( 9.766 14.921 -2.642) 18.028 1.381 ( 3.735 12.278 -0.583) 12.847 1.456 ( 3.194 10.956 3.627) 11.975 1.516 ( 8.371 2.214 1.820) 8.848 1.611 ( 1.835 6.613 0.791) 6.908 1.697 ( 4.556 7.730 0.136) 8.974 1.825 ( 0.991 3.324 3.075) 4.635 1.850 ( 7.753 8.311 -4.518) 12.231 1.984 ( -20.494 10.223 4.498) 23.340 2.057 ( -2.419 5.810 0.471) 6.312 2.134 ( -0.456 6.248 0.183) 6.267 2.157 ( 0.310 7.070 0.411) 7.089 2.172 ( 1.170 8.753 1.797) 9.011 2.220 ( -0.657 10.319 0.036) 10.340 2.259 ( -5.226 7.450 0.517) 9.114 2.414 ( -0.623 6.596 -0.701) 6.662 2.498 ( -10.525 3.243 -0.609) 11.030 2.580 ( -9.375 4.820 -8.020) 13.245 2.732 ( 2.613 0.902 -7.608) 8.094 2.854 ( 15.604 5.376 -8.976) 18.787 2.891 ( 22.990 3.811 4.953) 23.825 3.031 ( -7.866 2.537 -0.369) 8.273 3.113 ( 5.966 0.308 0.438) 5.990 3.269 ( -11.921 1.296 15.409) 19.525 3.485 ( 0.641 -2.001 3.379) 3.979 3.565 ( 0.109 -2.078 -3.913) 4.432 3.752 ( 4.932 -0.303 -5.722) 7.560 3.991 ( 1.973 -2.648 6.059) 6.900 4.153 ( 0.044 -3.008 3.505) 4.618 4.188 ( 0.002 -3.091 -0.902) 3.220 4.280 ( -1.525 -2.681 -4.809) 5.713 4.737 ( 0.651 -4.621 -0.932) 4.759 4.869 ( -0.347 -3.389 0.246) 3.415 5.200 ( -0.671 -3.329 1.738) 3.815 5.263 ( 1.645 -4.904 -1.157) 5.300 5.549 ( -0.227 -3.472 -2.520) 4.296 5.669 ( -1.523 0.996 1.239) 2.201 5.924 ( 0.390 14.247 1.016) 14.288 6.032 ( 1.756 8.367 -0.271) 8.554 6.111 ( -5.937 -0.471 0.789) 6.008 6.145 ( -1.243 5.220 0.978) 5.455 6.150 ( -2.871 1.621 -2.291) 4.015 6.206 ( 1.075 2.353 0.876) 2.731 6.228 ( 4.259 5.637 1.340) 7.191 6.357 ( -1.023 0.381 -2.353) 2.594 6.395 ( -2.500 -0.090 -1.545) 2.940 6.476 ( 2.073 0.567 4.462) 4.952 6.589 ( -0.743 -2.998 -1.302) 3.352 6.724 ( -1.010 0.950 -0.189) 1.399 6.738 ( -0.685 1.364 1.506) 2.144 6.783 ( -4.069 2.889 0.419) 5.008 6.812 ( -2.104 0.772 -3.129) 3.849 6.855 ( -0.211 2.498 -0.554) 2.567 6.915 ( 2.465 0.687 0.102) 2.561 6.952 ( -2.077 1.451 0.095) 2.535 6.988 ( 1.602 3.026 2.136) 4.035 7.004 ( 3.207 2.311 -0.396) 3.973 7.086 ( 2.182 1.899 0.896) 3.028 7.219 ( 1.619 -4.746 -2.420) 5.567 7.248 ( 0.506 5.313 -0.100) 5.338 7.342 ( 3.159 0.498 -3.080) 4.440 7.438 ( -1.229 -1.713 2.391) 3.188 7.527 ( -6.114 1.238 2.467) 6.708 7.587 ( 2.306 -0.113 -2.268) 3.236 7.678 ( -0.535 2.079 0.623) 2.235 7.732 ( -3.372 2.254 -0.325) 4.069 7.785 ( -1.416 2.836 -3.331) 4.598 7.877 ( 1.865 1.936 7.475) 7.944 8.029 ( 2.004 2.678 -4.663) 5.739 8.164 ( 6.139 5.365 1.037) 8.219 8.195 ( 2.432 1.951 -0.114) 3.120 8.496 ( -2.718 0.579 1.843) 3.335 8.636 ( 2.515 0.357 -2.337) 3.451 8.710 ( -0.095 -1.648 -1.625) 2.317 8.838 ( -1.635 -2.962 0.869) 3.493 9.087 ( -2.335 -1.474 -2.591) 3.787 9.149 ( 3.279 -2.504 2.395) 4.770 9.272 ( 1.172 -4.309 1.528) 4.720 9.665 ( -1.970 -2.627 0.535) 3.327 9.776 ( -4.384 -5.279 -1.510) 7.026 9.806 ( -1.846 -5.920 -2.457) 6.670 9.863 ( 0.641 -5.056 1.488) 5.310 9.878 ( 0.180 -3.442 -1.652) 3.822 10.219 ( 1.076 -4.922 4.148) 6.526 10.574 ( 1.751 -2.705 -0.977) 3.367 ======================= Grid point 74 (31/56) ======================= q-point: (-0.20 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -10.810 12.441 1.999) 16.602 0.678 ( -9.438 9.530 11.019) 17.358 0.814 ( 3.976 6.103 -7.027) 10.121 1.102 ( -7.450 7.778 -13.952) 17.626 1.277 ( 2.341 9.653 10.084) 14.154 1.357 ( -4.546 7.339 6.604) 10.869 1.463 ( 1.110 11.132 3.241) 11.647 1.508 ( -5.082 13.718 8.476) 16.907 1.620 ( 0.787 -0.024 0.154) 0.802 1.645 ( 7.570 10.039 -0.184) 12.575 1.761 ( 6.692 7.245 -4.096) 10.680 1.842 ( 8.153 1.893 8.348) 11.821 1.908 ( 4.399 4.958 -0.488) 6.646 2.004 ( -3.842 7.711 -0.603) 8.636 2.048 ( 2.017 6.948 -10.569) 12.808 2.079 ( 0.223 5.363 -5.403) 7.616 2.135 ( -0.439 7.366 -1.776) 7.590 2.165 ( 0.451 10.965 -4.225) 11.759 2.214 ( 0.283 9.380 0.100) 9.384 2.270 ( -4.606 9.891 2.260) 11.143 2.352 ( 11.189 7.480 -0.853) 13.486 2.369 ( -4.343 4.956 -2.743) 7.138 2.446 ( -2.679 7.435 -1.603) 8.064 2.669 ( -7.476 1.441 -2.029) 7.879 2.750 ( -10.197 2.287 -7.150) 12.662 3.008 ( -5.853 1.562 7.023) 9.275 3.095 ( -5.280 3.853 13.261) 14.784 3.301 ( 4.971 1.431 -4.387) 6.783 3.397 ( 13.533 -1.224 -2.486) 13.814 3.485 ( 13.258 -0.793 7.800) 15.403 3.616 ( 4.697 -2.140 -0.932) 5.245 3.847 ( 3.976 -2.619 -1.244) 4.921 4.029 ( -1.300 -3.058 1.897) 3.826 4.106 ( -5.738 -1.944 -2.703) 6.634 4.185 ( -1.309 -3.337 0.472) 3.615 4.235 ( -0.216 -3.612 -1.659) 3.981 4.756 ( 1.833 -4.612 0.841) 5.034 4.882 ( 1.350 -5.828 0.719) 6.025 5.196 ( -0.280 -2.097 2.283) 3.113 5.294 ( 1.687 -7.724 -2.598) 8.323 5.544 ( 1.149 -5.183 -2.679) 5.947 5.649 ( -0.550 -0.239 2.909) 2.970 5.931 ( -0.846 6.828 -0.771) 6.923 5.988 ( -3.473 2.163 1.801) 4.470 6.056 ( -0.444 -0.769 -4.919) 4.998 6.097 ( -0.936 4.761 -0.463) 4.874 6.146 ( 0.496 4.523 2.571) 5.226 6.181 ( -4.124 8.413 3.410) 9.971 6.289 ( -5.396 1.626 -0.177) 5.638 6.325 ( 3.946 4.360 1.066) 5.976 6.385 ( 5.128 -0.682 -1.666) 5.435 6.520 ( -3.808 6.611 0.774) 7.668 6.565 ( 2.018 1.902 0.012) 2.773 6.648 ( -5.494 5.775 -0.899) 8.021 6.686 ( -4.510 0.557 1.710) 4.856 6.710 ( -1.888 4.592 -1.827) 5.291 6.799 ( 1.203 -3.294 -0.801) 3.597 6.826 ( -1.882 1.963 -1.289) 3.009 6.922 ( 0.050 1.643 -1.919) 2.527 6.969 ( 1.881 1.447 -1.032) 2.588 7.032 ( 1.268 1.338 0.853) 2.032 7.039 ( 1.969 3.475 -0.045) 3.995 7.201 ( 4.874 -0.064 -1.353) 5.059 7.216 ( -1.883 -1.051 -2.441) 3.257 7.264 ( 1.134 6.859 -0.613) 6.979 7.347 ( -2.779 1.620 3.069) 4.446 7.405 ( -1.364 -0.174 2.952) 3.256 7.486 ( 2.067 1.789 -1.683) 3.210 7.596 ( -1.807 1.964 -1.754) 3.194 7.645 ( 1.030 0.624 -1.964) 2.304 7.683 ( -0.236 3.189 -2.235) 3.901 7.794 ( 2.096 0.448 -0.854) 2.307 7.910 ( -0.879 1.676 3.995) 4.421 8.059 ( 2.211 3.224 -1.564) 4.211 8.300 ( 6.941 2.395 3.968) 8.346 8.369 ( 10.891 2.408 -1.831) 11.303 8.448 ( -2.221 1.888 1.448) 3.255 8.616 ( -2.590 1.740 -8.061) 8.644 8.691 ( -1.283 -1.965 0.216) 2.356 8.792 ( -3.517 -2.523 1.102) 4.466 9.059 ( 1.100 -1.317 -1.680) 2.402 9.245 ( 5.374 -2.147 2.415) 6.271 9.314 ( 3.050 -4.148 -0.767) 5.205 9.596 ( -5.873 -3.032 -0.524) 6.630 9.664 ( -6.150 -4.283 1.552) 7.654 9.699 ( -6.851 -5.396 -5.091) 10.098 9.855 ( -1.346 -7.103 4.672) 8.608 9.888 ( 0.807 -2.371 -0.101) 2.507 10.288 ( 3.668 -6.315 5.448) 9.111 10.618 ( 2.301 -3.340 -0.725) 4.120 ======================= Grid point 75 (32/56) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.950 17.334 7.416) 18.878 0.915 ( 2.187 16.709 4.102) 17.344 1.032 ( 2.437 9.890 -9.586) 13.987 1.081 ( -2.528 10.350 -10.350) 14.854 1.479 ( -5.564 8.143 3.120) 10.344 1.548 ( 2.785 4.663 -0.865) 5.500 1.618 ( 1.013 6.587 1.181) 6.768 1.777 ( 1.013 17.657 5.359) 18.480 1.833 ( -0.882 15.445 7.344) 17.125 1.879 ( -0.460 14.128 4.726) 14.905 1.997 ( -3.426 10.292 3.113) 11.285 2.051 ( 1.495 9.179 1.449) 9.412 2.095 ( 5.176 4.700 -0.957) 7.057 2.155 ( 0.652 9.172 1.185) 9.271 2.202 ( -0.550 1.950 0.581) 2.107 2.258 ( -1.255 7.067 -4.043) 8.238 2.270 ( 0.235 14.934 -5.882) 16.052 2.359 ( -0.172 11.323 -8.366) 14.079 2.449 ( 0.065 11.592 -0.077) 11.592 2.471 ( 0.245 5.646 -1.761) 5.919 2.498 ( 1.591 12.920 1.594) 13.114 2.576 ( -3.362 12.799 -1.391) 13.307 2.626 ( -1.924 10.379 -5.929) 12.107 2.720 ( -0.391 19.390 0.135) 19.394 2.857 ( 1.378 12.795 -1.729) 12.985 2.898 ( 0.717 1.800 1.579) 2.500 3.225 ( 0.635 6.867 8.331) 10.815 3.335 ( 0.192 6.939 0.165) 6.944 3.526 ( -0.028 -6.124 1.460) 6.296 3.624 ( -0.966 -2.214 -0.009) 2.416 3.742 ( 6.112 -2.924 5.640) 8.816 3.759 ( -0.082 -6.291 2.538) 6.785 3.895 ( -3.967 -2.026 -2.369) 5.045 3.939 ( -3.906 0.212 -7.032) 8.047 4.090 ( 0.995 -5.639 -0.161) 5.728 4.157 ( 1.256 -4.856 -0.138) 5.018 4.685 ( -0.218 -4.773 -0.515) 4.806 4.744 ( 0.549 -8.066 0.537) 8.102 5.153 ( -0.330 -1.633 0.505) 1.741 5.187 ( 0.185 -3.726 -1.258) 3.937 5.477 ( 0.065 -1.807 -1.247) 2.197 5.648 ( 1.096 -1.087 1.500) 2.152 5.845 ( 1.521 -3.953 0.979) 4.348 5.856 ( -2.160 -4.628 0.213) 5.112 5.975 ( -1.999 -1.948 -1.009) 2.968 6.135 ( 1.234 -0.605 0.092) 1.377 6.199 ( 0.123 6.074 -1.109) 6.176 6.305 ( -0.153 2.445 0.643) 2.533 6.399 ( 0.815 6.369 0.265) 6.426 6.444 ( 0.711 0.743 0.108) 1.034 6.484 ( -1.328 -3.144 0.636) 3.471 6.551 ( 1.459 4.409 1.789) 4.977 6.640 ( -2.821 4.048 -0.265) 4.941 6.698 ( -1.187 9.294 -2.267) 9.639 6.749 ( -0.881 0.263 -1.058) 1.401 6.774 ( 1.868 2.429 3.372) 4.556 6.819 ( 3.014 2.534 -0.158) 3.941 6.847 ( 0.378 3.275 -0.533) 3.339 6.971 ( 0.359 3.696 0.465) 3.743 7.037 ( -1.474 3.070 -3.577) 4.939 7.055 ( 0.417 3.503 -0.364) 3.547 7.133 ( -2.318 2.458 0.405) 3.403 7.184 ( 1.089 5.134 -0.952) 5.333 7.287 ( -0.819 3.389 2.656) 4.383 7.407 ( 1.064 3.556 -1.791) 4.121 7.459 ( -0.119 6.881 -0.158) 6.884 7.470 ( 0.140 3.899 -0.347) 3.917 7.547 ( -0.462 1.060 0.560) 1.285 7.588 ( 1.183 1.809 -0.047) 2.162 7.655 ( -0.310 -0.185 -2.152) 2.182 7.728 ( 0.471 2.861 -1.720) 3.372 7.825 ( 0.227 0.424 0.181) 0.514 7.928 ( -1.381 2.700 2.967) 4.243 8.224 ( 4.084 6.020 3.822) 8.218 8.357 ( -1.828 1.827 -4.782) 5.436 8.406 ( -4.035 -1.984 -0.495) 4.524 8.511 ( 2.790 -3.644 -0.330) 4.601 8.555 ( -2.732 -0.243 0.467) 2.783 8.649 ( -0.812 -4.460 -0.080) 4.534 8.745 ( 4.004 1.356 -7.435) 8.553 9.039 ( 0.569 -4.139 0.035) 4.178 9.191 ( -6.393 -3.115 2.841) 7.658 9.293 ( 1.961 -4.227 -1.229) 4.819 9.441 ( -0.588 -6.997 -0.479) 7.038 9.467 ( 2.355 -3.825 1.005) 4.603 9.546 ( -0.092 -5.647 0.597) 5.679 9.721 ( 1.374 -8.407 3.294) 9.133 9.833 ( 0.028 -3.797 0.266) 3.807 10.187 ( -0.339 -7.433 2.404) 7.819 10.552 ( -0.022 -5.188 -0.543) 5.216 ======================= Grid point 76 (33/56) ======================= q-point: ( 0.20 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -0.882 14.485 0.600) 14.524 0.983 ( 1.640 13.216 0.858) 13.345 1.060 ( 8.422 14.626 5.722) 17.821 1.128 ( 6.147 6.535 -9.989) 13.427 1.382 ( -2.352 9.734 0.533) 10.028 1.528 ( -5.506 3.260 4.937) 8.082 1.638 ( 1.532 6.673 -6.092) 9.164 1.764 ( -5.019 9.122 -0.582) 10.428 1.810 ( -3.641 9.725 3.111) 10.840 1.873 ( -3.839 11.867 0.573) 12.486 1.981 ( -2.284 12.540 4.379) 13.477 2.080 ( 7.400 21.791 9.532) 24.909 2.115 ( 0.640 8.586 -0.866) 8.654 2.133 ( -7.120 6.067 -5.956) 11.089 2.174 ( -2.261 9.748 2.198) 10.245 2.213 ( 0.045 4.985 2.450) 5.554 2.253 ( -0.772 6.483 1.347) 6.666 2.377 ( 2.594 13.878 -6.987) 15.752 2.418 ( 1.361 12.576 -3.038) 13.009 2.490 ( 4.022 9.854 -4.095) 11.404 2.543 ( 0.610 11.499 -1.433) 11.604 2.592 ( 5.885 13.675 -3.910) 15.393 2.650 ( -1.261 15.062 2.106) 15.261 2.735 ( 5.533 10.750 3.183) 12.502 2.770 ( -1.849 11.477 -2.053) 11.805 3.096 ( 8.740 0.018 -0.937) 8.790 3.225 ( -3.446 3.544 4.103) 6.424 3.335 ( -13.320 -1.022 0.332) 13.363 3.401 ( 1.866 7.664 0.377) 7.897 3.535 ( -5.136 -0.572 2.634) 5.800 3.626 ( -7.575 -1.938 -4.838) 9.194 3.786 ( -5.590 0.202 0.588) 5.625 3.897 ( 2.986 -6.071 3.389) 7.567 3.966 ( 4.068 -3.148 2.934) 5.922 4.121 ( 1.356 -4.643 -0.400) 4.854 4.183 ( 2.338 -4.652 -3.761) 6.423 4.651 ( -2.461 -6.172 -0.003) 6.644 4.771 ( 1.889 -5.883 -0.568) 6.205 5.149 ( -0.258 -1.990 1.013) 2.248 5.177 ( -0.735 -3.568 -1.188) 3.831 5.484 ( 1.262 -0.976 -1.451) 2.156 5.676 ( 1.228 -1.242 -0.224) 1.761 5.879 ( 3.279 -2.189 3.067) 4.995 5.949 ( 7.466 -3.845 -0.874) 8.443 5.995 ( 4.675 -3.517 -0.003) 5.850 6.194 ( 2.877 0.444 1.659) 3.350 6.219 ( 1.089 4.408 -0.432) 4.561 6.310 ( 0.249 3.308 1.244) 3.543 6.363 ( -2.376 -1.591 -3.641) 4.630 6.414 ( -1.254 5.762 -1.329) 6.045 6.483 ( -2.538 2.767 1.626) 4.092 6.536 ( -1.450 5.690 -1.251) 6.004 6.608 ( -0.264 2.651 3.554) 4.442 6.708 ( -0.444 4.046 1.328) 4.281 6.731 ( 0.579 1.972 1.111) 2.336 6.825 ( 2.701 0.356 -1.493) 3.107 6.836 ( 2.064 1.880 -2.395) 3.679 6.909 ( 3.760 4.561 -1.370) 6.068 6.971 ( -2.367 5.259 -3.788) 6.900 7.007 ( 0.600 3.777 3.894) 5.458 7.066 ( 0.552 1.942 -0.222) 2.031 7.094 ( -1.842 4.937 0.119) 5.271 7.171 ( -2.799 4.344 -0.727) 5.219 7.268 ( -2.837 4.741 0.576) 5.555 7.321 ( -5.810 -1.058 1.771) 6.166 7.415 ( -0.781 6.441 -0.152) 6.490 7.470 ( 0.880 4.526 -0.327) 4.622 7.553 ( -3.486 -0.198 1.039) 3.643 7.630 ( 1.848 3.089 -4.593) 5.835 7.666 ( 3.582 1.614 -0.797) 4.009 7.741 ( 1.183 3.016 0.521) 3.282 7.807 ( -1.413 1.835 -0.434) 2.356 7.927 ( 0.125 1.637 4.054) 4.374 8.202 ( -7.665 4.804 -4.770) 10.227 8.316 ( -1.030 2.361 2.213) 3.396 8.339 ( -1.627 -1.415 1.262) 2.498 8.497 ( -1.294 2.667 2.908) 4.153 8.548 ( 0.708 -3.042 -1.458) 3.447 8.659 ( 1.439 -2.777 -1.785) 3.601 8.792 ( 1.722 -2.046 -5.903) 6.480 9.009 ( -2.376 -1.707 1.890) 3.483 9.116 ( -0.884 -5.765 4.755) 7.525 9.257 ( -4.602 -2.058 -1.125) 5.165 9.485 ( 4.779 -7.770 0.433) 9.132 9.567 ( 4.295 -5.993 0.363) 7.382 9.589 ( 4.342 -6.453 -1.570) 7.935 9.739 ( -0.322 -9.436 -0.141) 9.442 9.841 ( 0.505 -3.728 -0.168) 3.766 10.158 ( -2.901 -7.175 2.246) 8.059 10.533 ( -1.527 -4.774 -0.442) 5.031 ======================= Grid point 77 (34/56) ======================= q-point: ( 0.40 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -2.423 14.417 -0.178) 14.620 1.037 ( -0.199 11.683 5.759) 13.027 1.187 ( 7.113 3.741 -6.609) 10.405 1.336 ( 10.277 10.819 7.010) 16.487 1.409 ( 0.532 7.995 0.806) 8.053 1.463 ( 4.100 11.632 -1.546) 12.430 1.550 ( -10.895 8.489 -0.345) 13.816 1.670 ( -5.425 9.361 -0.019) 10.819 1.694 ( -0.182 7.326 -2.316) 7.685 1.811 ( -1.761 9.227 0.319) 9.399 1.872 ( -8.200 10.785 -3.993) 14.125 1.963 ( -5.937 5.847 -6.278) 10.433 2.098 ( -1.997 13.691 3.533) 14.280 2.157 ( 1.314 5.984 1.909) 6.417 2.216 ( 1.015 8.266 3.444) 9.012 2.260 ( 0.733 7.324 1.645) 7.542 2.391 ( 0.857 13.221 0.327) 13.253 2.400 ( 9.602 14.397 5.628) 18.197 2.458 ( 3.819 11.761 -0.550) 12.378 2.560 ( 2.027 16.424 1.213) 16.593 2.612 ( 0.837 10.625 -2.822) 11.025 2.628 ( 5.926 10.741 -3.305) 12.705 2.702 ( 5.153 11.876 -3.871) 13.512 2.783 ( 7.634 14.329 -8.379) 18.270 2.845 ( -4.539 5.465 7.318) 10.199 2.921 ( -12.331 8.950 3.732) 15.687 3.156 ( -5.252 3.225 0.393) 6.176 3.266 ( -4.809 2.972 -9.186) 10.787 3.328 ( 1.615 -3.458 3.150) 4.949 3.458 ( -4.711 -0.057 3.136) 5.660 3.591 ( -0.483 4.975 1.545) 5.232 3.695 ( 0.450 0.078 -4.689) 4.711 3.921 ( -1.148 -3.010 6.400) 7.165 4.035 ( 1.802 -5.255 3.818) 6.741 4.124 ( -0.488 -4.871 -0.960) 4.989 4.224 ( 2.097 -3.901 -4.514) 6.324 4.618 ( -0.531 -5.846 0.731) 5.915 4.798 ( 0.659 -5.065 -1.259) 5.261 5.147 ( -0.349 -2.256 0.946) 2.471 5.162 ( -0.101 -3.811 -0.732) 3.882 5.508 ( 1.148 -0.719 -1.971) 2.391 5.690 ( 0.012 -0.319 0.234) 0.396 5.981 ( 5.387 -1.524 2.786) 6.253 6.094 ( 6.598 -2.115 -1.894) 7.183 6.120 ( 5.491 -5.852 1.759) 8.215 6.161 ( -4.943 0.445 1.099) 5.084 6.242 ( 0.815 3.252 1.114) 3.532 6.307 ( -2.336 5.152 0.705) 5.701 6.323 ( -3.082 5.702 -2.124) 6.821 6.391 ( 1.667 -0.087 -3.960) 4.297 6.424 ( -1.931 2.723 0.592) 3.390 6.532 ( 0.407 9.272 1.445) 9.393 6.639 ( 1.800 2.232 1.657) 3.311 6.684 ( -0.804 -0.632 -1.069) 1.480 6.741 ( -0.651 2.590 2.901) 3.943 6.854 ( 0.016 0.819 -4.846) 4.915 6.896 ( 3.084 3.412 -0.602) 4.638 6.911 ( -1.589 1.584 -0.306) 2.264 6.953 ( -0.020 3.600 -1.947) 4.092 7.031 ( 0.537 5.786 3.094) 6.583 7.047 ( -0.213 6.484 2.325) 6.892 7.071 ( -4.621 2.066 1.982) 5.437 7.109 ( 2.540 2.314 -1.265) 3.661 7.182 ( -3.406 4.006 -1.498) 5.467 7.327 ( 2.660 1.840 -1.777) 3.690 7.393 ( -0.845 7.055 0.365) 7.114 7.433 ( -3.890 0.231 1.971) 4.367 7.545 ( 2.028 1.104 -0.622) 2.391 7.618 ( -1.613 0.656 -4.149) 4.500 7.708 ( 1.122 1.799 1.286) 2.480 7.781 ( -0.129 0.804 1.704) 1.888 7.817 ( 3.909 4.423 -0.343) 5.913 7.929 ( -1.898 0.583 4.724) 5.124 8.072 ( -3.407 4.086 -2.418) 5.844 8.226 ( -2.483 2.637 -1.794) 4.042 8.316 ( -3.091 3.536 -1.928) 5.077 8.536 ( -0.169 0.049 -0.049) 0.182 8.560 ( 3.363 -0.137 4.823) 5.881 8.674 ( 0.731 -1.735 -2.680) 3.275 8.787 ( -0.577 -4.025 -2.058) 4.558 9.006 ( 0.998 -3.927 2.637) 4.834 9.126 ( -0.248 -4.730 0.704) 4.788 9.161 ( -3.090 -2.939 -1.102) 4.405 9.592 ( 4.628 -9.520 0.499) 10.598 9.608 ( 0.732 -4.490 0.640) 4.594 9.668 ( 2.160 -8.791 -1.058) 9.114 9.722 ( -0.968 -9.096 -0.088) 9.148 9.839 ( -0.411 -3.093 -1.220) 3.350 10.108 ( -2.058 -6.339 1.774) 6.897 10.503 ( -0.877 -4.174 -0.457) 4.290 ======================= Grid point 78 (35/56) ======================= q-point: (-0.40 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 3.361 14.321 -0.751) 14.730 1.018 ( -3.754 7.320 5.731) 10.026 1.191 ( -7.370 10.053 -5.336) 13.560 1.323 ( -5.882 11.262 4.785) 13.576 1.372 ( -1.014 6.806 3.034) 7.520 1.571 ( 3.574 7.740 -8.306) 11.903 1.622 ( 8.237 8.346 -0.579) 11.741 1.647 ( 7.401 12.527 1.320) 14.610 1.687 ( -5.496 11.313 -5.583) 13.761 1.746 ( 3.070 7.791 3.282) 8.994 1.840 ( 4.029 7.122 4.170) 9.184 1.916 ( 4.252 7.539 -4.976) 9.984 2.105 ( 1.339 11.197 2.186) 11.487 2.173 ( -0.052 5.182 1.026) 5.283 2.220 ( -3.033 10.218 2.714) 10.999 2.286 ( 0.899 7.548 -0.076) 7.601 2.347 ( -12.020 13.982 4.997) 19.104 2.418 ( 1.197 13.566 1.343) 13.685 2.481 ( -4.962 13.880 -0.396) 14.745 2.514 ( -3.253 11.676 -0.667) 12.139 2.573 ( -2.656 13.438 2.460) 13.917 2.620 ( -0.574 15.417 -2.069) 15.566 2.734 ( -3.802 9.284 -2.115) 10.253 2.801 ( 0.842 8.110 -9.176) 12.275 2.995 ( 7.693 8.740 -2.594) 11.929 3.013 ( 13.189 8.457 -3.751) 16.110 3.089 ( -1.843 4.224 -0.204) 4.613 3.128 ( 4.927 1.279 1.965) 5.457 3.335 ( -7.631 4.832 8.862) 12.653 3.446 ( 3.445 -0.933 3.152) 4.762 3.519 ( -3.363 -1.519 -1.312) 3.916 3.752 ( 3.529 0.472 -5.566) 6.607 3.940 ( 1.297 -2.139 6.949) 7.386 4.070 ( 0.696 -5.313 3.387) 6.340 4.106 ( -0.616 -5.122 -2.431) 5.703 4.215 ( -1.847 -3.700 -4.200) 5.894 4.629 ( 1.235 -5.865 0.172) 5.996 4.785 ( -1.444 -4.931 -0.611) 5.174 5.145 ( 0.069 -2.001 0.728) 2.130 5.168 ( 0.737 -4.272 -0.774) 4.404 5.508 ( -0.529 -0.761 -2.014) 2.217 5.673 ( -1.861 0.015 1.395) 2.326 6.039 ( -6.091 -5.563 0.382) 8.258 6.060 ( -2.619 -1.854 -0.686) 3.281 6.106 ( -2.253 -1.214 1.687) 3.066 6.211 ( -0.269 0.315 -2.680) 2.712 6.236 ( 2.048 2.635 4.982) 5.997 6.276 ( -0.804 3.621 -0.196) 3.714 6.313 ( 1.747 4.916 -1.606) 5.459 6.364 ( -1.184 1.230 -1.173) 2.072 6.433 ( 1.768 5.584 -0.411) 5.871 6.552 ( 0.026 5.830 0.808) 5.886 6.644 ( 1.382 5.934 -0.447) 6.110 6.694 ( -0.144 -1.556 -1.024) 1.868 6.751 ( -0.190 2.240 5.110) 5.582 6.797 ( -2.181 -0.971 -2.659) 3.574 6.888 ( -3.374 5.930 -1.692) 7.030 6.926 ( 1.577 0.585 -1.039) 1.977 6.938 ( -0.305 2.374 0.340) 2.417 7.034 ( 0.099 4.895 2.144) 5.345 7.078 ( 2.939 5.752 0.843) 6.514 7.086 ( 2.234 5.456 0.643) 5.930 7.112 ( -2.137 3.185 -1.004) 3.964 7.178 ( 4.559 1.876 -2.009) 5.324 7.339 ( -0.846 0.100 -1.708) 1.908 7.396 ( 1.566 7.090 0.032) 7.261 7.428 ( 2.912 1.802 1.093) 3.595 7.542 ( -5.442 0.811 0.841) 5.566 7.590 ( 2.752 0.835 -2.266) 3.662 7.723 ( -0.056 1.614 0.107) 1.618 7.769 ( -1.091 1.835 1.638) 2.691 7.832 ( -2.960 1.415 -1.974) 3.829 7.933 ( 1.319 3.548 6.419) 7.452 8.073 ( 3.676 2.454 -4.542) 6.338 8.226 ( 1.411 2.329 1.173) 2.965 8.289 ( 3.352 4.571 -2.082) 6.038 8.512 ( -1.960 1.016 2.727) 3.509 8.639 ( 2.770 -0.654 -0.970) 3.007 8.669 ( -0.609 -2.007 -3.045) 3.698 8.761 ( -1.659 -4.618 0.380) 4.921 9.038 ( 0.186 -3.823 -1.134) 3.992 9.100 ( 1.171 -1.905 3.065) 3.794 9.162 ( 1.511 -6.332 -0.656) 6.543 9.596 ( -2.533 -4.687 0.628) 5.365 9.633 ( -1.397 -9.031 -2.619) 9.506 9.646 ( -2.772 -9.089 1.587) 9.634 9.716 ( -0.379 -8.913 0.339) 8.927 9.828 ( -0.148 -2.687 -0.468) 2.731 10.106 ( 1.329 -5.939 1.864) 6.365 10.505 ( 1.192 -4.246 -0.559) 4.445 ======================= Grid point 79 (36/56) ======================= q-point: (-0.20 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.224 13.672 0.207) 13.676 0.925 ( -4.549 12.927 4.905) 14.555 1.020 ( -4.024 14.801 -2.270) 15.505 1.240 ( -8.615 8.226 -6.205) 13.431 1.408 ( 9.518 7.023 -1.202) 11.890 1.555 ( -3.040 11.837 -0.319) 12.225 1.615 ( 0.075 1.534 -1.147) 1.917 1.734 ( 3.920 10.832 0.081) 11.519 1.831 ( 2.705 11.205 3.404) 12.019 1.883 ( 7.839 7.171 0.122) 10.625 1.939 ( 4.414 8.475 3.160) 10.064 1.978 ( -9.022 25.270 10.602) 28.851 2.037 ( 3.771 6.733 0.966) 7.777 2.147 ( 0.249 4.869 2.989) 5.718 2.189 ( 0.763 6.614 -0.125) 6.659 2.260 ( 0.749 9.127 -0.234) 9.161 2.301 ( -0.318 7.714 -1.232) 7.818 2.404 ( -3.293 14.822 -7.707) 17.028 2.439 ( -0.176 13.189 -3.304) 13.598 2.459 ( 0.409 9.141 0.808) 9.186 2.524 ( -2.950 13.373 -3.407) 14.112 2.603 ( 2.092 13.782 -1.708) 14.044 2.702 ( 0.348 18.997 1.256) 19.042 2.767 ( -0.571 10.127 -8.024) 12.933 2.817 ( -10.614 5.089 -4.108) 12.467 3.038 ( -5.467 1.501 3.337) 6.579 3.222 ( -3.928 8.628 9.980) 13.765 3.347 ( 3.041 3.381 0.288) 4.557 3.375 ( 11.986 -0.517 -3.897) 12.614 3.474 ( 11.115 -0.321 7.434) 13.376 3.567 ( 4.442 -2.112 -0.605) 4.956 3.788 ( 0.667 -2.767 -0.127) 2.849 3.963 ( -1.472 -3.415 1.027) 3.858 4.057 ( -2.723 -3.076 -2.341) 4.728 4.102 ( -1.315 -4.482 0.524) 4.700 4.142 ( -1.537 -5.470 -2.587) 6.243 4.663 ( 2.060 -5.059 -0.881) 5.533 4.751 ( -1.488 -6.518 0.758) 6.728 5.153 ( 0.249 -2.053 0.786) 2.212 5.181 ( 0.747 -3.825 -1.423) 4.149 5.486 ( -0.674 -1.125 -1.699) 2.147 5.642 ( -1.231 -0.169 2.126) 2.463 5.898 ( -6.589 -4.510 1.832) 8.192 5.953 ( -5.888 -4.517 -1.330) 7.539 6.039 ( -3.512 -2.779 -3.171) 5.488 6.177 ( -5.041 0.365 3.967) 6.425 6.221 ( -1.643 6.590 -1.132) 6.885 6.302 ( 1.950 4.371 2.157) 5.250 6.336 ( 2.500 -2.567 -2.191) 4.200 6.405 ( 3.417 4.566 -0.944) 5.781 6.479 ( 1.746 8.155 1.492) 8.472 6.539 ( -0.579 -0.846 -0.045) 1.026 6.678 ( 0.332 5.110 -2.879) 5.875 6.711 ( 3.042 -0.858 1.503) 3.500 6.741 ( -1.546 3.735 2.185) 4.595 6.763 ( -1.140 4.331 3.730) 5.828 6.801 ( -3.386 4.334 -3.490) 6.513 6.886 ( -2.938 3.327 -0.046) 4.439 6.970 ( 0.571 1.410 -0.526) 1.609 7.045 ( 0.830 6.663 -0.066) 6.715 7.058 ( -0.730 0.852 -0.418) 1.197 7.138 ( 2.332 5.458 -2.164) 6.317 7.167 ( 2.069 2.703 -0.425) 3.430 7.278 ( 4.181 2.909 -0.993) 5.190 7.347 ( 3.511 -0.020 -0.074) 3.512 7.409 ( -1.703 4.604 1.351) 5.092 7.455 ( -0.801 6.771 1.546) 6.991 7.517 ( 4.947 1.614 0.198) 5.207 7.636 ( 2.467 0.462 -2.915) 3.847 7.669 ( -5.721 3.041 -0.443) 6.494 7.747 ( -1.497 2.749 -0.561) 3.179 7.803 ( 1.190 0.584 -0.161) 1.335 7.949 ( -1.233 2.452 3.164) 4.188 8.136 ( 3.951 4.749 -0.861) 6.238 8.325 ( 5.911 -0.078 2.504) 6.420 8.378 ( 4.280 -1.390 -2.545) 5.170 8.492 ( -0.181 2.272 1.933) 2.989 8.622 ( -3.353 -2.185 -2.040) 4.492 8.659 ( 0.868 -0.763 -5.789) 5.904 8.732 ( -1.193 -3.021 0.479) 3.283 9.023 ( 0.176 -2.359 -1.096) 2.607 9.174 ( 3.585 -5.400 1.638) 6.686 9.230 ( 5.271 -3.491 0.792) 6.372 9.506 ( -5.275 -6.353 -1.428) 8.380 9.548 ( -7.456 -7.204 0.898) 10.407 9.581 ( -2.565 -5.971 -0.145) 6.500 9.703 ( -0.767 -8.181 2.509) 8.592 9.831 ( 0.185 -3.305 0.472) 3.344 10.156 ( 2.370 -6.591 2.196) 7.340 10.536 ( 1.631 -4.887 -0.606) 5.188 ======================= Grid point 80 (37/56) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.383 10.011 -0.671) 10.041 1.201 ( 0.230 17.023 2.318) 17.181 1.258 ( 0.194 12.556 -2.886) 12.885 1.386 ( -1.151 18.329 -3.008) 18.610 1.643 ( -0.588 6.933 -0.422) 6.970 1.692 ( -1.935 10.920 1.217) 11.157 1.761 ( 1.622 8.915 -4.018) 9.912 1.945 ( 1.205 4.872 -0.348) 5.031 2.030 ( -2.456 8.450 4.380) 9.829 2.114 ( 0.846 6.734 0.813) 6.836 2.163 ( 0.117 5.137 6.647) 8.401 2.174 ( 5.159 3.751 -3.191) 7.132 2.258 ( 1.821 5.347 0.332) 5.658 2.303 ( -0.422 4.512 1.534) 4.784 2.344 ( -4.034 2.975 -1.031) 5.117 2.388 ( -0.984 4.051 -0.597) 4.212 2.502 ( 0.369 17.307 5.675) 18.218 2.525 ( 0.641 11.326 1.490) 11.441 2.637 ( -1.492 11.299 0.525) 11.409 2.728 ( -2.479 9.827 -2.046) 10.340 2.771 ( 0.548 11.103 -5.314) 12.322 2.813 ( 1.814 10.748 -0.578) 10.915 2.886 ( -0.166 18.747 -6.926) 19.987 2.965 ( 0.129 7.689 1.105) 7.769 3.071 ( 0.732 13.940 -0.846) 13.985 3.176 ( -0.184 17.437 -0.251) 17.439 3.361 ( 0.815 -3.893 -0.136) 3.980 3.387 ( -5.042 3.755 4.845) 7.937 3.481 ( 3.810 2.653 -2.940) 5.496 3.640 ( 4.093 1.807 5.929) 7.427 3.645 ( 0.305 3.440 -1.045) 3.608 3.698 ( -1.156 -1.531 2.065) 2.819 3.883 ( -2.180 1.250 1.451) 2.902 3.959 ( -4.027 -0.952 -0.259) 4.146 3.999 ( 1.215 -1.732 -3.559) 4.141 4.084 ( 2.098 0.315 -1.627) 2.673 4.596 ( -2.527 -4.691 0.909) 5.406 4.618 ( 2.660 -4.333 -0.804) 5.148 5.132 ( 0.308 -0.662 0.153) 0.746 5.140 ( -0.385 -1.385 -0.461) 1.509 5.468 ( -0.087 0.616 0.621) 0.879 5.635 ( 0.305 -0.362 -1.698) 1.763 5.747 ( 0.541 -4.349 1.424) 4.608 5.807 ( 0.230 -1.114 0.034) 1.138 5.960 ( -1.389 0.389 -0.642) 1.579 6.118 ( -0.553 -1.115 2.572) 2.857 6.287 ( 0.761 -1.716 -3.338) 3.829 6.331 ( 0.391 4.185 0.585) 4.243 6.377 ( -0.665 -2.740 -0.016) 2.819 6.455 ( 1.159 0.796 2.064) 2.497 6.499 ( -0.113 1.246 -0.550) 1.366 6.632 ( -0.832 1.204 -1.313) 1.966 6.692 ( 0.411 2.939 0.670) 3.042 6.728 ( -1.323 -1.325 -0.806) 2.038 6.795 ( 0.939 0.815 2.733) 3.003 6.825 ( 0.342 1.427 -0.536) 1.562 6.870 ( -0.702 5.877 -0.985) 6.000 6.984 ( 0.012 6.973 -0.033) 6.973 7.020 ( 2.217 1.993 2.347) 3.794 7.060 ( 0.183 1.382 0.119) 1.399 7.147 ( -2.410 3.434 -2.771) 5.028 7.231 ( -0.003 6.576 -0.548) 6.599 7.260 ( 0.665 2.619 -0.471) 2.743 7.379 ( -1.078 5.169 2.440) 5.817 7.451 ( 0.792 1.743 -2.365) 3.043 7.510 ( 0.174 0.995 -0.567) 1.158 7.532 ( 0.184 1.486 -0.158) 1.505 7.606 ( 0.005 0.567 1.630) 1.726 7.646 ( -0.679 3.118 0.800) 3.290 7.681 ( 0.854 5.927 -2.635) 6.542 7.788 ( 0.002 3.175 -0.270) 3.186 7.836 ( 0.586 0.580 -0.451) 0.940 7.991 ( -1.403 3.741 3.361) 5.222 8.274 ( -0.986 -5.767 -0.640) 5.885 8.331 ( 3.287 0.260 1.969) 3.840 8.391 ( 1.535 0.119 -0.172) 1.549 8.460 ( -2.648 -0.916 -2.107) 3.505 8.542 ( -3.310 -3.749 0.241) 5.007 8.580 ( 0.879 0.302 1.456) 1.727 8.755 ( 3.195 -0.128 -7.863) 8.488 8.949 ( 0.110 -4.757 0.310) 4.769 9.118 ( -3.861 -4.552 2.995) 6.678 9.208 ( 1.540 -4.476 0.040) 4.733 9.299 ( -0.608 -6.880 -1.965) 7.181 9.388 ( 0.677 -4.233 1.026) 4.408 9.415 ( 0.477 -7.754 0.529) 7.787 9.583 ( 0.443 -5.241 2.682) 5.904 9.755 ( -0.112 -4.013 0.119) 4.017 10.075 ( -0.097 -3.984 0.267) 3.994 10.447 ( -0.006 -5.476 -0.339) 5.486 ======================= Grid point 81 (38/56) ======================= q-point: ( 0.20 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -1.239 11.790 -0.901) 11.889 1.243 ( 2.421 11.838 -0.906) 12.117 1.259 ( 1.188 12.264 0.828) 12.350 1.419 ( 4.284 17.330 1.227) 17.894 1.585 ( -2.651 8.525 -1.190) 9.007 1.654 ( -1.460 11.228 1.460) 11.416 1.776 ( 0.627 7.982 -3.506) 8.741 1.920 ( -4.171 6.535 -2.408) 8.117 1.986 ( -2.919 8.457 2.600) 9.316 2.052 ( -6.476 6.818 -0.187) 9.405 2.151 ( -3.196 6.484 1.773) 7.443 2.213 ( -5.618 3.593 -5.768) 8.817 2.251 ( 2.556 3.122 -3.008) 5.033 2.267 ( -2.001 5.559 4.802) 7.613 2.309 ( 0.568 3.603 3.175) 4.836 2.359 ( -1.052 5.166 3.709) 6.446 2.524 ( 0.011 3.925 0.299) 3.936 2.574 ( 0.992 12.692 2.174) 12.915 2.627 ( 0.777 11.976 1.815) 12.138 2.690 ( 1.095 7.068 -1.781) 7.370 2.796 ( 3.740 14.592 -1.790) 15.170 2.870 ( 3.988 12.885 1.514) 13.573 2.914 ( 4.160 17.489 -6.122) 18.991 3.041 ( 5.196 10.561 1.781) 11.904 3.097 ( 2.433 17.413 -3.279) 17.885 3.162 ( -1.116 12.842 -0.114) 12.891 3.268 ( -7.262 -2.402 3.684) 8.490 3.353 ( -2.111 4.828 0.924) 5.350 3.506 ( -2.115 3.160 -4.282) 5.727 3.551 ( -4.721 3.549 0.390) 5.919 3.671 ( 0.661 5.693 -1.235) 5.863 3.777 ( 2.641 -2.141 -0.069) 3.400 3.854 ( -1.120 4.576 6.120) 7.723 3.919 ( 0.293 0.131 2.943) 2.960 4.019 ( 0.408 -5.803 -1.190) 5.938 4.118 ( 2.648 -0.521 -3.990) 4.817 4.549 ( -2.291 -4.113 1.057) 4.825 4.667 ( 2.382 -4.669 -1.255) 5.390 5.119 ( -1.150 -1.419 -0.330) 1.855 5.134 ( -0.256 -0.668 0.245) 0.757 5.489 ( 1.708 1.307 0.144) 2.156 5.657 ( 2.149 -0.552 -1.401) 2.624 5.812 ( 4.902 -4.823 0.686) 6.911 5.867 ( 5.134 -2.357 0.191) 5.652 5.969 ( 2.656 0.432 0.449) 2.728 6.152 ( 1.859 -2.798 3.004) 4.507 6.300 ( 0.138 0.035 -0.942) 0.952 6.320 ( -1.839 -1.088 -2.543) 3.322 6.371 ( 2.152 2.638 1.688) 3.800 6.460 ( -1.046 0.980 -3.015) 3.339 6.491 ( -0.413 1.114 1.293) 1.756 6.624 ( -1.043 -0.256 1.308) 1.692 6.684 ( 0.757 5.705 -0.674) 5.795 6.718 ( -0.672 -0.288 1.104) 1.324 6.822 ( 1.208 -1.168 1.379) 2.174 6.838 ( 0.670 0.580 -1.099) 1.412 6.854 ( 0.175 6.213 0.180) 6.218 6.979 ( -1.775 0.886 -1.265) 2.353 7.047 ( 0.870 3.836 -2.086) 4.452 7.096 ( 2.538 4.654 0.498) 5.325 7.115 ( 0.037 3.554 2.051) 4.103 7.232 ( -0.174 7.400 -0.854) 7.451 7.261 ( -3.190 3.776 -0.549) 4.973 7.316 ( -2.956 0.951 1.026) 3.270 7.380 ( -2.564 6.654 -0.638) 7.160 7.483 ( 0.416 2.659 -0.246) 2.703 7.538 ( -5.356 -1.320 1.909) 5.837 7.590 ( -0.193 2.332 -0.332) 2.363 7.686 ( 0.404 6.232 -4.532) 7.717 7.708 ( 4.947 1.392 0.955) 5.227 7.782 ( -1.122 2.308 1.026) 2.764 7.841 ( 0.555 1.245 -1.912) 2.348 7.978 ( -1.092 3.326 4.700) 5.861 8.217 ( -5.094 -4.229 2.656) 7.134 8.326 ( -2.344 1.503 -6.997) 7.531 8.369 ( 0.236 1.572 -0.939) 1.846 8.491 ( 1.415 -1.881 4.269) 4.874 8.514 ( 0.581 -1.493 2.425) 2.906 8.613 ( 2.159 -1.184 -0.680) 2.554 8.759 ( -0.580 -1.071 -7.950) 8.042 8.962 ( 0.984 -3.998 0.027) 4.117 9.001 ( -5.639 -4.637 4.288) 8.467 9.215 ( -2.788 -2.907 1.125) 4.182 9.323 ( 3.057 -7.869 -0.093) 8.442 9.424 ( 3.711 -8.176 -1.133) 9.050 9.464 ( 2.603 -6.850 -0.021) 7.328 9.581 ( -1.136 -5.917 1.193) 6.142 9.764 ( 0.730 -4.071 0.206) 4.141 10.051 ( -2.091 -3.671 0.276) 4.234 10.434 ( -1.029 -5.226 -0.231) 5.331 ======================= Grid point 82 (39/56) ======================= q-point: ( 0.40 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -0.746 14.557 -0.093) 14.577 1.234 ( -1.261 9.111 -1.012) 9.253 1.313 ( 1.800 8.684 0.011) 8.869 1.539 ( 4.810 10.288 5.738) 12.724 1.592 ( 4.891 10.639 1.282) 11.779 1.696 ( 3.832 12.396 -2.883) 13.291 1.722 ( -5.012 9.078 -1.957) 10.553 1.844 ( -0.360 8.278 -1.162) 8.367 1.858 ( -7.321 9.119 0.755) 11.719 1.967 ( -2.013 6.931 -0.582) 7.241 2.049 ( -6.260 6.915 -3.216) 9.867 2.085 ( -4.600 6.822 -4.340) 9.303 2.250 ( -1.119 3.183 2.643) 4.286 2.252 ( -0.615 4.410 -0.411) 4.471 2.349 ( 1.654 4.632 3.104) 5.816 2.383 ( 1.012 5.027 4.651) 6.923 2.491 ( -1.820 -1.236 -1.563) 2.699 2.598 ( 0.992 4.166 3.368) 5.448 2.629 ( 0.032 9.974 -0.035) 9.975 2.753 ( 3.772 2.849 -4.177) 6.308 2.903 ( 5.483 17.046 -2.888) 18.138 2.968 ( 4.095 11.554 -1.145) 12.312 3.006 ( 3.473 14.640 6.804) 16.513 3.063 ( -4.250 19.310 -0.524) 19.779 3.106 ( 1.007 11.029 0.873) 11.109 3.136 ( -2.435 12.833 0.364) 13.067 3.199 ( 0.184 3.290 -1.606) 3.666 3.322 ( 1.757 8.854 1.278) 9.116 3.390 ( -7.025 9.162 -3.793) 12.153 3.489 ( -0.984 5.199 -3.489) 6.338 3.717 ( 3.843 3.710 -2.628) 5.953 3.735 ( -5.412 7.835 2.376) 9.815 3.890 ( 0.947 -0.830 6.561) 6.681 3.949 ( 0.936 -1.056 3.541) 3.812 4.010 ( -0.309 -6.590 -2.382) 7.014 4.158 ( 1.818 -2.335 -3.464) 4.556 4.520 ( -0.757 -3.867 1.246) 4.133 4.698 ( 0.934 -4.760 -1.550) 5.092 5.102 ( -0.339 -1.763 0.034) 1.795 5.127 ( -0.333 -0.338 0.029) 0.476 5.517 ( 0.824 1.539 -0.679) 1.873 5.690 ( 0.917 0.551 -0.558) 1.207 5.924 ( 5.516 -5.170 0.885) 7.612 5.969 ( 3.485 -5.776 0.470) 6.762 6.032 ( 0.890 -2.503 0.447) 2.694 6.167 ( 0.731 -0.035 0.104) 0.740 6.259 ( -1.872 0.081 3.667) 4.119 6.327 ( -0.280 -2.920 -0.174) 2.938 6.399 ( -1.474 0.750 -5.437) 5.683 6.438 ( 1.948 4.515 1.104) 5.039 6.489 ( 0.062 3.973 -0.843) 4.062 6.615 ( 0.438 -0.972 2.171) 2.419 6.696 ( -1.295 1.588 1.128) 2.338 6.726 ( 3.058 6.184 -0.683) 6.932 6.813 ( -2.137 2.835 0.499) 3.585 6.853 ( 0.110 -2.538 -0.727) 2.642 6.876 ( -1.616 1.517 -2.358) 3.236 6.931 ( 2.244 -0.605 -0.281) 2.341 7.024 ( -3.242 0.195 0.330) 3.265 7.116 ( -0.603 5.505 0.040) 5.538 7.162 ( 2.636 5.605 2.398) 6.642 7.179 ( -0.375 5.753 1.484) 5.953 7.236 ( 0.229 8.419 -0.826) 8.462 7.303 ( -2.121 7.673 -2.949) 8.490 7.362 ( 1.905 1.625 -0.711) 2.602 7.406 ( -4.716 0.166 1.230) 4.877 7.528 ( 0.900 3.094 2.394) 4.015 7.593 ( 0.932 1.954 -1.032) 2.398 7.665 ( -1.251 5.580 -4.632) 7.360 7.738 ( -1.152 1.033 0.517) 1.631 7.779 ( -0.070 -0.896 2.969) 3.102 7.852 ( 1.239 0.898 -3.239) 3.583 7.980 ( 0.111 3.883 5.370) 6.628 8.137 ( -3.134 1.648 2.596) 4.391 8.276 ( 0.046 2.886 -5.484) 6.197 8.352 ( -1.473 0.152 -3.901) 4.173 8.523 ( 0.519 -1.497 5.554) 5.776 8.553 ( 1.869 -0.147 2.670) 3.263 8.649 ( 1.395 -1.753 -1.862) 2.913 8.709 ( -1.734 -2.832 -4.443) 5.547 8.929 ( -1.723 -4.100 4.457) 6.296 9.000 ( 1.583 -6.485 -2.273) 7.052 9.142 ( -3.494 -0.339 -0.172) 3.515 9.395 ( 3.215 -10.093 1.059) 10.645 9.475 ( 0.844 -10.077 -1.727) 10.259 9.510 ( 1.835 -7.535 0.867) 7.803 9.559 ( -1.275 -5.632 0.933) 5.850 9.774 ( 0.099 -3.697 -0.291) 3.710 10.012 ( -1.344 -3.214 0.146) 3.487 10.414 ( -0.601 -4.823 -0.162) 4.863 ======================= Grid point 83 (40/56) ======================= q-point: (-0.40 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 1.086 14.068 -0.395) 14.115 1.204 ( -1.102 11.296 0.745) 11.374 1.347 ( 0.887 6.827 -1.981) 7.164 1.533 ( -6.014 11.189 4.086) 13.344 1.580 ( -3.306 12.324 3.332) 13.187 1.725 ( 0.381 8.384 -6.176) 10.420 1.780 ( 7.117 8.625 -2.657) 11.494 1.857 ( 1.609 8.857 -1.437) 9.116 1.870 ( 5.842 8.138 -2.374) 10.295 1.927 ( -2.230 9.863 1.101) 10.172 1.981 ( 3.042 7.023 3.146) 8.275 2.061 ( 4.138 7.338 -2.228) 8.714 2.230 ( -2.215 2.591 2.537) 4.250 2.246 ( 0.301 3.421 1.143) 3.620 2.378 ( 0.905 5.102 0.252) 5.187 2.404 ( -0.150 3.460 3.883) 5.203 2.471 ( -0.121 2.093 0.124) 2.100 2.622 ( -0.185 6.866 0.158) 6.870 2.653 ( 2.998 5.059 -0.261) 5.886 2.771 ( -2.062 5.764 -6.146) 8.674 2.828 ( -7.666 13.920 3.199) 16.210 2.986 ( -2.597 12.861 -1.552) 13.212 3.014 ( -2.744 18.362 1.702) 18.644 3.070 ( 4.956 18.741 0.667) 19.397 3.107 ( -3.613 2.235 3.513) 5.513 3.190 ( 4.284 3.837 0.697) 5.794 3.211 ( -5.338 10.504 -7.514) 13.974 3.263 ( 7.055 15.358 2.065) 17.026 3.418 ( 2.919 6.583 -0.512) 7.219 3.481 ( 3.045 6.667 -6.081) 9.524 3.614 ( -6.915 10.721 6.004) 14.100 3.785 ( 2.435 3.380 -1.906) 4.581 3.915 ( -0.295 -1.867 7.418) 7.655 3.969 ( 0.316 -2.892 1.978) 3.518 3.999 ( 0.253 -5.277 -3.449) 6.309 4.154 ( -1.320 -1.871 -3.380) 4.083 4.528 ( 1.083 -4.137 0.940) 4.378 4.689 ( -1.332 -4.551 -1.148) 4.879 5.106 ( 0.647 -1.771 -0.231) 1.900 5.125 ( 0.207 -0.366 0.167) 0.452 5.516 ( -0.670 1.534 -0.637) 1.791 5.681 ( -1.576 0.990 0.068) 1.862 5.931 ( -6.321 -6.164 0.267) 8.833 5.958 ( -3.618 -6.326 1.172) 7.381 6.050 ( 1.147 -1.364 -0.675) 1.906 6.186 ( 1.301 -0.879 -1.439) 2.130 6.265 ( -2.053 0.684 5.771) 6.163 6.313 ( 1.595 -1.915 0.938) 2.663 6.358 ( -0.426 0.479 -4.668) 4.712 6.458 ( -1.873 6.777 -0.271) 7.037 6.488 ( 1.123 0.903 -0.682) 1.595 6.634 ( 0.519 -1.489 0.581) 1.680 6.688 ( -0.278 5.560 1.399) 5.740 6.758 ( -1.177 -0.135 -2.841) 3.078 6.781 ( -0.030 3.723 1.105) 3.884 6.828 ( 2.041 3.215 2.279) 4.438 6.884 ( 0.466 -2.519 -2.292) 3.437 6.938 ( -2.656 -0.077 -0.845) 2.788 7.008 ( 1.898 1.741 1.222) 2.851 7.113 ( -0.535 5.439 0.515) 5.489 7.175 ( 1.116 4.526 1.319) 4.844 7.220 ( -0.456 5.883 -0.242) 5.905 7.244 ( 0.398 7.104 -0.889) 7.170 7.259 ( 1.670 6.421 -1.025) 6.714 7.360 ( 0.176 1.999 -0.366) 2.040 7.433 ( 5.062 2.094 -1.204) 5.609 7.524 ( -3.351 1.537 2.213) 4.300 7.595 ( -0.030 5.401 0.412) 5.417 7.635 ( 0.533 3.037 -2.988) 4.294 7.729 ( 0.117 -0.153 1.105) 1.121 7.794 ( 0.642 0.030 1.010) 1.197 7.852 ( -0.640 1.548 -2.780) 3.246 8.007 ( 0.270 3.937 4.612) 6.069 8.125 ( 2.103 2.442 1.362) 3.499 8.275 ( 0.022 2.112 -2.859) 3.555 8.325 ( 0.885 -0.227 -3.312) 3.436 8.534 ( -0.637 0.977 4.025) 4.190 8.595 ( 0.950 -2.431 2.411) 3.553 8.652 ( -0.327 -2.353 -3.215) 3.997 8.673 ( -0.507 -2.468 -2.745) 3.726 8.945 ( 1.240 -5.490 3.093) 6.422 9.019 ( 1.991 -5.848 -4.571) 7.685 9.107 ( 0.285 0.458 3.035) 3.082 9.434 ( 0.147 -10.434 0.247) 10.438 9.439 ( -3.398 -9.887 -1.085) 10.511 9.521 ( -2.241 -8.664 -0.049) 8.949 9.548 ( 0.677 -4.377 1.744) 4.760 9.769 ( -0.325 -3.355 -0.042) 3.371 10.012 ( 1.371 -3.221 0.099) 3.502 10.415 ( 0.747 -4.846 -0.222) 4.909 ======================= Grid point 84 (41/56) ======================= q-point: (-0.20 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 1.030 11.549 -0.993) 11.637 1.196 ( -0.163 14.768 1.298) 14.826 1.293 ( -3.633 12.349 -0.664) 12.889 1.467 ( -4.952 14.252 -0.852) 15.112 1.572 ( 4.790 9.498 -0.889) 10.674 1.712 ( 1.113 8.352 -2.828) 8.888 1.782 ( -3.063 11.006 -4.606) 12.318 1.897 ( 3.574 6.460 -0.598) 7.407 2.011 ( 6.112 7.370 1.392) 9.675 2.025 ( 5.735 8.109 3.513) 10.535 2.067 ( 3.852 5.285 3.605) 7.468 2.166 ( 3.926 6.812 1.202) 7.953 2.185 ( -1.020 1.500 2.022) 2.717 2.276 ( 2.132 3.534 0.577) 4.168 2.391 ( -0.192 3.512 0.532) 3.557 2.400 ( -0.716 5.261 0.104) 5.311 2.481 ( 0.654 9.787 1.897) 9.991 2.576 ( -4.885 11.135 0.776) 12.184 2.661 ( -2.312 13.972 1.510) 14.242 2.719 ( 3.119 9.535 -2.013) 10.232 2.780 ( -0.307 7.812 -4.447) 8.994 2.876 ( -5.485 10.451 -4.277) 12.554 2.965 ( -5.266 15.321 0.352) 16.204 3.008 ( -4.125 10.448 4.017) 11.930 3.092 ( -2.510 14.184 -5.432) 15.395 3.158 ( 2.555 17.153 -0.535) 17.351 3.304 ( 4.835 -3.308 0.476) 5.877 3.413 ( 4.251 2.476 2.797) 5.659 3.426 ( 1.533 6.416 -5.324) 8.477 3.537 ( -1.185 9.770 8.883) 13.258 3.576 ( 5.273 3.638 -1.020) 6.487 3.771 ( -3.218 1.601 0.228) 3.601 3.918 ( -1.481 -1.029 3.444) 3.887 3.976 ( -0.028 -4.013 0.322) 4.026 4.021 ( 2.519 -3.998 -1.828) 5.067 4.087 ( -3.760 1.837 -3.746) 5.616 4.566 ( 2.396 -4.470 0.282) 5.079 4.646 ( -2.461 -4.281 -0.256) 4.945 5.120 ( 0.778 -1.199 -0.391) 1.482 5.136 ( 0.630 -0.997 0.087) 1.182 5.489 ( -1.719 1.261 0.170) 2.139 5.648 ( -1.149 0.873 -0.731) 1.618 5.800 ( -5.863 -5.571 1.149) 8.169 5.859 ( -4.997 -3.345 0.799) 6.066 6.009 ( -2.759 -0.124 -2.541) 3.753 6.173 ( -5.502 -0.425 3.932) 6.776 6.260 ( 3.989 -4.128 -1.275) 5.880 6.333 ( -0.395 2.743 -2.692) 3.863 6.384 ( -0.055 4.410 2.314) 4.981 6.413 ( 1.103 -2.263 -0.453) 2.558 6.500 ( -0.002 1.023 0.222) 1.047 6.664 ( 2.080 -0.899 -0.655) 2.359 6.668 ( -1.753 5.198 -0.419) 5.501 6.742 ( -0.026 1.351 -1.072) 1.725 6.786 ( -0.513 1.087 3.334) 3.544 6.828 ( -1.227 0.543 0.159) 1.351 6.879 ( 0.237 4.550 -1.251) 4.725 6.964 ( 3.043 -0.426 0.411) 3.101 7.009 ( -1.793 6.633 0.639) 6.901 7.069 ( -1.786 1.856 0.512) 2.626 7.196 ( -1.253 6.397 -1.294) 6.646 7.239 ( -0.230 4.646 -2.117) 5.111 7.251 ( 1.472 4.451 -0.179) 4.692 7.324 ( 6.860 1.182 0.511) 6.980 7.388 ( 1.551 4.975 -1.118) 5.330 7.457 ( -1.604 1.793 1.858) 3.039 7.544 ( 5.119 1.150 0.543) 5.274 7.610 ( 0.193 6.662 1.085) 6.753 7.646 ( 1.139 0.911 -3.868) 4.134 7.708 ( -3.586 0.715 1.770) 4.062 7.800 ( -0.017 2.260 -1.403) 2.660 7.824 ( -0.440 2.464 -0.061) 2.503 8.008 ( -1.098 3.609 2.943) 4.785 8.216 ( 5.268 1.753 2.064) 5.923 8.295 ( 2.724 -4.121 -3.856) 6.267 8.331 ( 0.388 -0.801 1.064) 1.387 8.529 ( -1.304 1.157 0.504) 1.815 8.581 ( -1.979 -1.352 2.137) 3.211 8.612 ( -2.804 -3.621 -1.497) 4.818 8.700 ( 3.770 -0.535 -5.450) 6.648 8.954 ( -0.627 -5.032 0.558) 5.102 9.070 ( 4.298 -4.405 -2.841) 6.778 9.179 ( 3.884 -2.024 4.818) 6.511 9.355 ( -3.875 -8.464 -1.956) 9.512 9.401 ( -3.063 -7.854 0.169) 8.432 9.459 ( -3.374 -7.135 0.724) 7.926 9.564 ( 0.454 -5.100 2.093) 5.531 9.763 ( -0.446 -3.649 0.324) 3.690 10.052 ( 2.014 -3.728 0.184) 4.241 10.435 ( 1.085 -5.264 -0.331) 5.385 ======================= Grid point 85 (42/56) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 0.031 8.877 -0.349) 8.884 1.475 ( -0.311 10.648 -0.348) 10.658 1.503 ( 0.257 11.582 0.090) 11.586 1.711 ( -0.325 13.552 -0.066) 13.556 1.782 ( -0.735 8.535 -2.761) 9.000 1.911 ( -0.470 9.682 -1.318) 9.782 1.949 ( 0.144 9.591 -2.533) 9.921 1.999 ( 0.750 2.526 0.598) 2.702 2.155 ( -1.190 3.695 2.476) 4.605 2.214 ( 1.233 4.170 3.245) 5.426 2.239 ( 2.554 2.320 -0.207) 3.457 2.257 ( 1.825 3.627 0.879) 4.154 2.324 ( -1.393 -0.245 2.500) 2.873 2.367 ( 0.926 4.968 0.874) 5.129 2.397 ( -2.390 3.231 0.428) 4.042 2.465 ( -1.283 3.606 -1.520) 4.118 2.559 ( 0.447 2.556 -1.107) 2.821 2.713 ( 1.934 -2.697 -4.815) 5.848 2.738 ( 0.404 1.760 0.412) 1.852 2.850 ( -2.593 2.516 -3.297) 4.892 2.927 ( -6.623 1.213 5.166) 8.486 3.070 ( 6.984 2.205 -0.864) 7.375 3.143 ( 4.291 6.851 1.846) 8.292 3.185 ( -0.127 17.950 5.142) 18.673 3.269 ( -1.837 2.932 1.203) 3.663 3.303 ( -3.265 -2.928 -1.761) 4.726 3.332 ( -0.461 9.921 -0.550) 9.947 3.481 ( -0.180 8.396 -5.644) 10.118 3.601 ( 1.347 9.226 1.114) 9.390 3.711 ( 2.136 1.665 2.213) 3.497 3.771 ( -2.880 10.757 3.595) 11.702 3.820 ( 1.027 7.947 -3.397) 8.704 3.889 ( 1.125 4.829 -0.654) 5.002 3.948 ( -1.599 0.227 -4.884) 5.144 4.106 ( 0.199 14.172 5.265) 15.120 4.223 ( -0.037 10.705 -2.178) 10.924 4.526 ( -1.178 -2.030 1.422) 2.745 4.560 ( 1.248 -1.886 -1.042) 2.490 5.126 ( 0.086 0.019 -0.030) 0.093 5.126 ( -0.131 -0.113 -0.042) 0.178 5.496 ( -0.250 2.295 1.598) 2.808 5.624 ( -0.676 -0.570 -0.772) 1.174 5.708 ( 1.585 0.328 -1.950) 2.535 5.810 ( 0.315 1.225 0.705) 1.448 5.986 ( -0.780 2.217 -0.271) 2.366 6.087 ( -1.856 -2.085 3.542) 4.510 6.205 ( 1.572 -5.016 -2.150) 5.679 6.316 ( -0.069 -2.495 -0.360) 2.521 6.433 ( -0.432 3.971 -0.608) 4.040 6.486 ( 2.274 0.413 0.846) 2.462 6.512 ( -0.624 2.244 0.123) 2.333 6.622 ( -2.439 -1.407 0.265) 2.828 6.662 ( 1.531 -2.923 -0.255) 3.309 6.757 ( -0.256 1.215 -0.619) 1.387 6.831 ( -0.943 2.949 0.483) 3.134 6.851 ( -0.230 1.974 0.260) 2.004 6.969 ( 1.148 3.457 1.296) 3.866 7.023 ( 1.217 1.414 -1.328) 2.290 7.071 ( -0.008 -0.039 0.785) 0.786 7.134 ( 0.021 5.264 0.013) 5.264 7.216 ( -1.900 4.079 -2.168) 4.995 7.291 ( 0.931 1.323 0.100) 1.621 7.332 ( 0.063 2.814 -0.039) 2.815 7.423 ( -0.788 0.218 -0.347) 0.888 7.496 ( 4.771 1.914 1.911) 5.484 7.539 ( -5.774 0.650 0.468) 5.829 7.563 ( 1.278 1.914 -1.025) 2.519 7.601 ( -1.697 0.381 0.661) 1.861 7.675 ( 0.973 0.976 -1.173) 1.809 7.779 ( 1.975 1.471 2.241) 3.329 7.830 ( 1.015 -0.347 -1.073) 1.517 7.879 ( -0.797 5.311 -2.925) 6.116 8.057 ( -2.594 0.994 4.157) 5.000 8.134 ( -0.062 -4.870 -3.726) 6.133 8.276 ( 2.646 -4.688 3.295) 6.312 8.422 ( 3.149 1.101 0.657) 3.399 8.447 ( -3.786 -1.098 -0.580) 3.984 8.468 ( -1.607 -2.651 -2.007) 3.694 8.613 ( -0.370 2.297 3.072) 3.853 8.750 ( 2.829 -0.239 -7.328) 7.859 8.864 ( 0.575 -3.900 1.137) 4.103 9.011 ( -2.528 -6.189 1.501) 6.852 9.120 ( -1.333 -4.520 1.025) 4.823 9.184 ( 1.731 -5.654 -2.495) 6.418 9.267 ( -0.596 -6.068 0.872) 6.159 9.311 ( 0.856 -3.547 0.897) 3.758 9.519 ( 0.056 -1.529 2.393) 2.841 9.683 ( -0.144 -3.343 -0.587) 3.397 10.031 ( 0.041 -0.640 -0.266) 0.694 10.342 ( -0.019 -5.157 -0.138) 5.159 ======================= Grid point 86 (43/56) ======================= q-point: ( 0.20 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.574 9.097 -0.313) 9.120 1.445 ( -2.008 9.497 -0.625) 9.727 1.513 ( 0.186 11.116 0.318) 11.122 1.712 ( -0.847 11.636 2.795) 11.997 1.755 ( 0.636 10.254 -1.985) 10.464 1.900 ( 0.429 11.884 -1.518) 11.988 1.938 ( -0.483 8.231 -1.716) 8.422 2.007 ( -0.634 3.058 -1.481) 3.456 2.126 ( -2.353 4.923 0.841) 5.521 2.167 ( -7.030 5.639 0.766) 9.044 2.227 ( -2.147 1.456 3.372) 4.254 2.264 ( -3.772 1.589 -1.689) 4.428 2.309 ( 2.118 2.542 -3.432) 4.767 2.360 ( -2.355 3.942 0.467) 4.616 2.373 ( -0.039 4.171 6.684) 7.879 2.443 ( -0.183 3.312 -1.397) 3.599 2.564 ( -2.192 2.224 -0.880) 3.245 2.621 ( -2.441 -1.611 -2.414) 3.792 2.729 ( -0.775 -1.041 -0.932) 1.598 2.834 ( -3.791 2.982 4.027) 6.284 2.943 ( 4.429 2.519 0.502) 5.120 3.082 ( 0.741 8.205 0.509) 8.254 3.130 ( -2.534 -5.847 -2.290) 6.772 3.208 ( -1.598 0.557 -2.196) 2.772 3.275 ( 3.941 7.131 2.783) 8.610 3.337 ( 0.773 11.937 1.785) 12.095 3.404 ( 6.537 11.273 2.191) 13.214 3.504 ( 2.955 9.895 -4.330) 11.198 3.642 ( 3.792 10.345 -1.334) 11.099 3.705 ( -3.670 12.735 4.906) 14.132 3.757 ( 1.920 5.609 -3.039) 6.662 3.856 ( 2.022 4.738 0.235) 5.157 3.895 ( -1.416 0.379 -4.251) 4.497 3.919 ( 1.238 2.993 1.084) 3.416 4.102 ( -2.142 13.415 3.755) 14.094 4.199 ( -1.426 8.415 -1.792) 8.721 4.498 ( -1.389 -0.872 1.064) 1.955 4.598 ( 2.240 -2.120 -1.040) 3.255 5.106 ( -1.137 0.172 0.032) 1.151 5.132 ( 0.082 0.228 -0.010) 0.242 5.530 ( 2.295 2.887 1.718) 4.069 5.651 ( 3.363 -0.238 -1.115) 3.551 5.746 ( 2.862 -1.108 -1.929) 3.625 5.853 ( 3.379 0.407 -0.234) 3.412 5.993 ( 0.869 1.680 1.911) 2.689 6.103 ( 2.384 -1.888 1.948) 3.612 6.229 ( 1.154 -5.022 -1.097) 5.268 6.307 ( -1.226 -0.869 0.140) 1.509 6.419 ( -0.361 1.929 -1.126) 2.262 6.482 ( -1.193 -0.018 -0.316) 1.234 6.538 ( 2.421 4.131 -0.632) 4.829 6.601 ( -1.007 -2.229 0.932) 2.617 6.695 ( 1.580 -0.899 0.093) 1.821 6.749 ( 0.583 0.012 -0.303) 0.657 6.821 ( -0.809 2.136 2.817) 3.627 6.853 ( 0.951 1.493 0.013) 1.770 6.974 ( -1.286 5.477 -0.609) 5.659 6.985 ( -3.162 0.595 -3.416) 4.693 7.058 ( -2.037 -1.575 1.137) 2.815 7.171 ( 2.622 3.003 0.132) 3.988 7.213 ( 1.207 4.809 0.197) 4.962 7.316 ( -0.952 2.484 -0.955) 2.826 7.339 ( 0.504 3.132 -0.319) 3.189 7.359 ( -1.008 2.545 0.467) 2.777 7.484 ( -1.731 0.946 1.713) 2.612 7.507 ( -4.522 -0.446 1.258) 4.715 7.531 ( 0.077 3.126 -1.563) 3.496 7.600 ( 0.480 0.764 0.253) 0.937 7.713 ( 2.190 -0.406 0.184) 2.235 7.804 ( -1.393 2.030 1.646) 2.962 7.834 ( -0.330 2.220 -5.921) 6.332 7.873 ( 1.447 3.983 -1.233) 4.413 8.019 ( -1.887 -1.330 5.801) 6.244 8.123 ( -0.293 -2.425 0.767) 2.560 8.308 ( 0.503 -3.755 -3.054) 4.866 8.389 ( -1.319 0.451 -2.986) 3.295 8.447 ( 0.693 -2.738 2.693) 3.903 8.506 ( 3.222 1.283 3.300) 4.787 8.606 ( -1.314 -0.083 1.169) 1.761 8.757 ( 0.042 0.648 -8.407) 8.432 8.865 ( -0.422 -4.627 -0.732) 4.703 8.935 ( -4.499 -3.337 3.816) 6.778 9.108 ( -0.226 -7.065 3.304) 7.803 9.230 ( 1.457 -2.579 -1.931) 3.536 9.257 ( 0.990 -8.292 -0.468) 8.364 9.340 ( 1.319 -5.209 -0.095) 5.374 9.513 ( -1.167 -1.571 1.777) 2.643 9.689 ( 0.733 -3.540 -0.301) 3.628 10.013 ( -1.521 -0.351 -0.276) 1.585 10.333 ( -0.771 -5.052 -0.049) 5.111 ======================= Grid point 87 (44/56) ======================= q-point: ( 0.40 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.312 9.598 -0.027) 9.603 1.414 ( -0.301 9.095 -1.414) 9.209 1.495 ( -1.489 9.410 0.062) 9.528 1.733 ( 2.426 9.349 3.725) 10.352 1.799 ( 2.705 9.943 1.617) 10.431 1.895 ( -3.385 8.294 -1.652) 9.109 1.931 ( 2.452 10.932 -3.499) 11.737 1.968 ( -2.416 3.488 -0.209) 4.248 2.023 ( -3.489 7.629 -0.025) 8.389 2.096 ( -1.286 7.093 -0.213) 7.211 2.159 ( -3.044 5.514 -1.785) 6.546 2.219 ( -2.047 5.447 0.076) 5.820 2.289 ( -2.270 2.187 1.585) 3.528 2.328 ( 0.142 3.655 -1.805) 4.079 2.389 ( -4.071 -2.306 -1.015) 4.787 2.422 ( 2.129 3.399 3.466) 5.301 2.527 ( 0.598 3.473 2.160) 4.134 2.630 ( 0.180 0.512 2.468) 2.527 2.706 ( -0.401 -2.850 -3.240) 4.334 2.808 ( 0.421 4.151 0.216) 4.178 2.963 ( -0.095 -6.267 1.740) 6.505 3.040 ( -3.118 -3.845 -4.005) 6.367 3.177 ( 0.672 6.627 1.998) 6.954 3.218 ( 3.745 -0.150 -1.728) 4.127 3.312 ( -0.051 8.976 2.051) 9.207 3.345 ( 0.463 6.577 0.433) 6.608 3.491 ( 2.153 17.085 1.462) 17.283 3.554 ( 2.432 13.268 -2.175) 13.664 3.653 ( -3.940 11.577 6.212) 13.716 3.720 ( 2.943 15.911 -5.435) 17.069 3.783 ( 1.105 6.446 -2.946) 7.173 3.854 ( 1.196 -0.980 -1.553) 2.191 3.914 ( 2.388 1.677 -2.532) 3.864 3.943 ( 0.153 8.395 4.148) 9.365 4.050 ( -3.455 9.175 2.873) 10.217 4.169 ( -0.756 4.311 -1.149) 4.525 4.482 ( -0.473 0.330 0.761) 0.955 4.630 ( 0.990 -1.812 -1.081) 2.331 5.091 ( -0.361 0.502 0.296) 0.686 5.131 ( -0.084 0.575 -0.173) 0.607 5.565 ( 0.616 3.380 0.983) 3.574 5.714 ( 2.116 1.744 -1.899) 3.335 5.812 ( 3.378 -4.298 0.444) 5.484 5.913 ( 1.962 -1.381 -1.187) 2.677 6.005 ( -0.725 -0.508 2.346) 2.507 6.171 ( 3.307 -0.013 -0.331) 3.324 6.241 ( 0.145 -3.634 1.019) 3.777 6.279 ( -0.888 0.972 1.644) 2.106 6.408 ( -1.660 0.362 -4.168) 4.501 6.456 ( -0.419 -0.970 1.868) 2.146 6.585 ( 0.287 -1.518 0.658) 1.679 6.603 ( 3.333 5.797 -2.255) 7.057 6.700 ( 0.237 -1.152 0.757) 1.398 6.779 ( -2.192 -1.879 0.681) 2.966 6.819 ( 1.918 2.339 2.212) 3.747 6.884 ( -0.402 1.106 -1.682) 2.053 6.908 ( -0.693 0.096 -1.263) 1.443 6.928 ( -1.389 2.776 -0.618) 3.165 7.009 ( -3.159 0.464 1.178) 3.403 7.207 ( 1.111 2.714 -0.604) 2.994 7.233 ( 1.122 2.697 0.308) 2.938 7.275 ( -1.783 3.120 -0.105) 3.595 7.360 ( 0.310 2.980 1.126) 3.201 7.371 ( -0.061 0.700 -0.091) 0.709 7.448 ( 1.109 6.216 -3.714) 7.325 7.461 ( -1.760 4.722 2.652) 5.695 7.559 ( 1.917 0.342 1.185) 2.279 7.605 ( 0.721 0.159 0.855) 1.129 7.706 ( -3.337 -1.002 -0.936) 3.608 7.757 ( -1.384 -1.457 -0.087) 2.011 7.800 ( -1.409 3.882 -3.830) 5.633 7.896 ( 1.347 3.752 -2.105) 4.508 8.041 ( 1.381 1.098 6.459) 6.695 8.127 ( 0.028 -1.372 2.995) 3.294 8.300 ( -0.297 -2.112 -4.189) 4.700 8.367 ( 0.259 2.175 -5.677) 6.085 8.477 ( 0.540 -2.321 5.093) 5.623 8.566 ( -1.521 -3.948 -1.508) 4.491 8.574 ( 1.933 0.870 4.927) 5.364 8.717 ( -1.558 1.974 -4.903) 5.511 8.838 ( -1.236 -4.727 0.211) 4.890 8.900 ( 0.070 -4.039 -0.711) 4.102 9.112 ( -0.822 -4.175 5.152) 6.682 9.241 ( 1.065 -4.081 -1.719) 4.554 9.277 ( 0.288 -9.911 -2.552) 10.239 9.358 ( 0.397 -6.558 0.191) 6.572 9.500 ( -0.449 -1.290 2.059) 2.471 9.701 ( 0.424 -3.621 -0.508) 3.681 9.983 ( -0.984 0.099 -0.266) 1.024 10.319 ( -0.454 -4.904 0.016) 4.925 ======================= Grid point 88 (45/56) ======================= q-point: (-0.40 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -0.383 9.621 0.050) 9.628 1.424 ( 1.489 10.012 -2.061) 10.329 1.493 ( 1.182 8.291 0.290) 8.380 1.737 ( -3.477 9.247 2.992) 10.322 1.815 ( -0.857 11.258 3.203) 11.736 1.883 ( 2.474 7.408 -4.277) 8.904 1.951 ( 1.176 6.690 -3.665) 7.718 1.971 ( 1.115 5.061 -0.101) 5.184 2.032 ( 4.783 7.814 -1.393) 9.267 2.099 ( 1.646 6.260 0.452) 6.489 2.123 ( -0.211 9.307 0.353) 9.316 2.213 ( 2.506 7.452 0.464) 7.876 2.260 ( -2.145 1.962 3.293) 4.392 2.295 ( -1.407 0.716 0.878) 1.806 2.387 ( 2.947 -0.294 -1.160) 3.181 2.469 ( 1.456 3.412 1.100) 3.869 2.551 ( 1.109 3.952 0.058) 4.106 2.624 ( -0.718 -3.074 1.834) 3.651 2.714 ( 1.409 -0.554 -2.191) 2.663 2.829 ( 1.884 3.537 -1.849) 4.414 2.952 ( -0.814 -5.005 2.056) 5.472 3.019 ( 1.105 -4.394 -2.009) 4.956 3.165 ( -2.708 0.565 2.416) 3.673 3.219 ( -1.194 4.503 -1.172) 4.804 3.279 ( -2.770 9.227 2.491) 9.951 3.414 ( 2.821 10.226 -3.556) 11.188 3.493 ( -3.022 14.813 1.558) 15.198 3.556 ( 0.229 12.853 -1.060) 12.898 3.603 ( -2.986 10.398 5.383) 12.084 3.723 ( 0.015 12.179 -3.097) 12.567 3.806 ( 1.205 5.145 -1.969) 5.639 3.863 ( 0.248 0.943 -3.608) 3.738 3.877 ( -4.743 8.858 0.582) 10.064 3.984 ( 1.494 6.357 0.384) 6.542 4.033 ( 1.034 7.682 4.187) 8.810 4.174 ( 1.637 4.397 -1.301) 4.869 4.485 ( 0.554 0.142 0.658) 0.872 4.624 ( -1.230 -1.723 -0.801) 2.263 5.094 ( 0.552 0.414 0.123) 0.701 5.129 ( -0.013 0.622 -0.091) 0.628 5.566 ( -0.852 3.535 0.979) 3.765 5.712 ( -1.282 2.122 -1.966) 3.165 5.808 ( -4.555 -4.814 0.912) 6.690 5.896 ( -2.639 -1.234 0.207) 2.921 6.032 ( 2.370 -0.640 0.203) 2.463 6.181 ( -1.513 -0.352 -1.005) 1.850 6.230 ( -2.673 -3.518 1.387) 4.631 6.305 ( 2.158 1.813 3.602) 4.573 6.352 ( -1.051 -0.572 -3.264) 3.477 6.478 ( 1.681 -1.098 0.034) 2.008 6.583 ( -3.285 3.918 -0.051) 5.113 6.608 ( 0.274 0.035 -1.631) 1.654 6.722 ( 0.328 -2.320 -1.026) 2.558 6.755 ( 1.490 0.956 1.999) 2.670 6.830 ( -2.544 1.348 2.215) 3.632 6.880 ( 2.586 1.279 -0.442) 2.919 6.901 ( 1.956 2.144 -2.298) 3.702 6.919 ( -3.114 0.593 0.265) 3.181 7.013 ( 3.919 0.773 0.825) 4.079 7.210 ( -1.212 3.278 -0.790) 3.583 7.249 ( 0.242 2.764 -0.671) 2.855 7.272 ( 2.302 0.599 -0.243) 2.391 7.340 ( -1.572 2.995 2.543) 4.232 7.390 ( -2.949 3.808 -0.490) 4.841 7.405 ( 2.915 4.301 -0.701) 5.243 7.518 ( 3.307 5.110 -1.301) 6.225 7.537 ( -3.998 0.391 0.941) 4.126 7.645 ( 2.546 -0.239 0.494) 2.604 7.678 ( 0.430 1.499 2.343) 2.815 7.740 ( -0.581 0.224 -6.211) 6.242 7.775 ( 0.519 -1.051 2.598) 2.850 7.912 ( 0.821 4.185 -2.712) 5.054 8.075 ( 0.171 2.335 3.901) 4.549 8.151 ( 1.472 0.215 3.985) 4.254 8.239 ( -4.306 -4.485 -3.137) 6.964 8.363 ( 0.603 3.003 -4.431) 5.387 8.507 ( 1.230 -3.565 4.128) 5.591 8.554 ( 0.262 -3.773 -2.151) 4.351 8.612 ( 0.039 2.513 5.157) 5.737 8.673 ( -0.710 0.250 -4.762) 4.821 8.834 ( 0.362 -5.284 0.050) 5.296 8.927 ( 3.397 -3.838 -2.813) 5.847 9.115 ( -0.285 -1.176 5.899) 6.022 9.249 ( -1.583 -9.320 -3.762) 10.175 9.255 ( 0.174 -6.553 -0.235) 6.560 9.354 ( -0.952 -7.037 0.567) 7.123 9.502 ( -0.166 -1.137 1.842) 2.171 9.702 ( -0.140 -3.465 -0.544) 3.510 9.983 ( 1.059 0.065 -0.261) 1.093 10.320 ( 0.516 -4.917 -0.026) 4.944 ======================= Grid point 89 (46/56) ======================= q-point: (-0.20 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -0.381 9.058 -0.299) 9.071 1.455 ( 1.960 11.005 -1.411) 11.267 1.507 ( -0.297 9.448 0.750) 9.482 1.714 ( 0.221 10.607 1.590) 10.728 1.799 ( -0.787 13.040 -3.234) 13.458 1.899 ( 1.775 9.656 -2.376) 10.101 1.956 ( -0.023 4.470 -3.382) 5.605 1.990 ( 0.486 4.943 -0.365) 4.980 2.138 ( 4.344 4.877 3.121) 7.239 2.153 ( 2.857 4.806 -0.501) 5.613 2.171 ( 2.633 5.737 3.580) 7.256 2.228 ( -0.898 3.882 5.134) 6.499 2.292 ( 5.126 3.921 -2.492) 6.918 2.318 ( 1.653 2.858 3.481) 4.797 2.423 ( 0.135 1.173 -0.357) 1.233 2.483 ( 0.113 3.436 -0.940) 3.564 2.568 ( -0.043 3.022 -0.887) 3.150 2.637 ( 3.190 -5.635 -3.941) 7.580 2.725 ( 0.449 2.674 -0.552) 2.767 2.909 ( 6.580 3.270 -1.145) 7.437 2.989 ( -1.465 7.272 3.002) 8.002 2.994 ( 1.173 -1.969 -1.805) 2.917 3.067 ( -6.970 -1.666 3.399) 7.932 3.224 ( 2.220 -0.341 0.333) 2.270 3.237 ( -2.525 10.961 2.603) 11.546 3.371 ( -3.108 10.788 -0.217) 11.229 3.444 ( -4.819 8.039 -2.982) 9.836 3.536 ( -2.933 11.504 -0.336) 11.877 3.577 ( 0.870 8.715 -1.141) 8.833 3.699 ( -2.707 8.108 2.930) 9.037 3.770 ( -0.239 10.385 2.627) 10.715 3.845 ( -0.367 5.226 -4.461) 6.881 3.873 ( 1.101 2.425 -1.851) 3.243 3.983 ( -0.721 2.316 -2.447) 3.445 4.073 ( 1.201 11.357 5.149) 12.527 4.210 ( 1.816 9.779 -1.674) 10.086 4.508 ( 1.451 -1.117 0.659) 1.946 4.584 ( -2.243 -1.960 -0.391) 3.005 5.110 ( 0.969 0.139 -0.204) 1.000 5.130 ( 0.036 0.180 0.106) 0.212 5.531 ( -2.875 3.058 1.683) 4.522 5.672 ( -2.096 1.087 -3.289) 4.048 5.711 ( -3.166 -2.453 1.206) 4.183 5.837 ( -2.864 0.617 0.971) 3.086 6.026 ( -2.333 1.513 -0.996) 2.953 6.146 ( -4.128 -2.768 1.615) 5.226 6.182 ( 0.772 -3.462 0.023) 3.547 6.322 ( -0.430 -2.204 -0.615) 2.329 6.389 ( 4.056 0.623 0.423) 4.125 6.488 ( -1.916 3.015 -0.872) 3.678 6.519 ( -0.623 2.469 1.024) 2.744 6.633 ( 1.662 -2.509 -1.179) 3.232 6.698 ( -4.416 -0.596 0.062) 4.456 6.747 ( 1.075 -1.104 -0.395) 1.591 6.836 ( 0.596 4.539 2.744) 5.338 6.865 ( -1.614 2.893 -0.932) 3.441 6.939 ( 2.067 0.721 -1.646) 2.739 6.956 ( 3.741 0.808 1.801) 4.230 7.069 ( 1.158 1.311 -0.375) 1.789 7.164 ( -2.524 5.403 0.018) 5.963 7.269 ( -0.768 1.002 -3.910) 4.109 7.291 ( -0.283 2.542 1.562) 2.997 7.341 ( -0.958 2.503 -0.167) 2.685 7.350 ( 4.118 2.440 0.961) 4.882 7.464 ( -2.435 1.379 2.389) 3.679 7.497 ( 5.083 1.738 0.055) 5.373 7.577 ( 2.643 2.984 -2.582) 4.749 7.662 ( -3.261 0.192 -3.267) 4.620 7.670 ( -0.763 0.713 1.426) 1.768 7.730 ( 1.828 1.299 4.663) 5.175 7.816 ( 1.708 -0.368 -1.443) 2.266 7.904 ( -0.812 4.632 -2.504) 5.328 8.083 ( -0.562 3.565 2.563) 4.426 8.154 ( -1.864 -7.411 -3.321) 8.332 8.207 ( 2.547 -2.439 3.979) 5.317 8.371 ( 1.569 2.634 -1.414) 3.376 8.511 ( -1.939 -4.370 1.489) 5.007 8.526 ( -2.712 -1.741 -2.359) 3.994 8.612 ( -0.872 2.558 4.498) 5.248 8.697 ( 4.065 0.187 -6.052) 7.293 8.845 ( 0.660 -5.397 0.743) 5.488 8.996 ( 3.502 -3.751 -2.641) 5.771 9.131 ( -0.520 -3.858 4.674) 6.082 9.202 ( -1.590 -7.184 -2.156) 7.667 9.256 ( 0.343 -5.601 -0.451) 5.629 9.326 ( -1.855 -5.604 1.113) 6.007 9.507 ( 0.206 -1.244 1.918) 2.295 9.693 ( -0.507 -3.368 -0.484) 3.440 10.013 ( 1.609 -0.405 -0.271) 1.681 10.334 ( 0.777 -5.075 -0.121) 5.136 ======================= Grid point 90 (47/56) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -0.005 7.274 -0.024) 7.274 1.634 ( -0.944 5.651 0.025) 5.730 1.667 ( 1.133 5.525 -0.854) 5.704 1.865 ( -0.415 -0.794 -1.496) 1.743 1.924 ( -0.841 7.893 0.005) 7.937 2.039 ( 0.489 4.813 -0.126) 4.839 2.096 ( 1.414 5.173 1.529) 5.576 2.133 ( 0.626 7.211 -2.210) 7.568 2.187 ( -2.241 1.005 0.476) 2.502 2.229 ( 2.152 0.472 -2.708) 3.491 2.293 ( 0.272 3.551 1.028) 3.706 2.302 ( 0.548 1.294 2.882) 3.206 2.341 ( -1.088 0.988 2.346) 2.768 2.427 ( -0.051 0.338 -0.600) 0.690 2.460 ( -3.827 2.232 3.687) 5.764 2.527 ( 1.918 2.569 -1.381) 3.491 2.606 ( 4.581 0.581 -1.905) 4.995 2.632 ( -1.625 0.241 -2.181) 2.731 2.763 ( -2.842 -0.707 0.950) 3.079 2.841 ( -1.337 -2.432 -3.168) 4.212 2.865 ( -1.998 -4.406 4.579) 6.661 2.966 ( 2.714 -7.680 -5.083) 9.601 3.142 ( 2.906 -4.444 4.496) 6.957 3.200 ( 0.843 -4.214 0.744) 4.361 3.400 ( -3.930 8.310 -3.516) 9.842 3.439 ( -0.749 7.034 0.660) 7.105 3.570 ( 2.010 7.398 -0.793) 7.708 3.610 ( 0.543 3.511 -0.224) 3.560 3.741 ( 0.870 2.710 3.305) 4.361 3.763 ( 0.140 8.140 6.741) 10.570 3.875 ( -0.539 0.625 -0.232) 0.857 4.009 ( -1.309 11.970 -5.023) 13.047 4.022 ( -0.737 12.366 0.533) 12.400 4.166 ( 1.677 11.389 -7.061) 13.505 4.359 ( 0.297 9.366 2.543) 9.709 4.420 ( -0.768 7.589 -0.119) 7.628 4.534 ( -1.538 3.516 1.886) 4.276 4.553 ( 1.670 1.938 -0.286) 2.575 5.130 ( -0.011 0.372 0.036) 0.374 5.131 ( -0.003 0.446 0.054) 0.449 5.559 ( -0.178 4.137 0.627) 4.188 5.636 ( -0.878 2.085 1.636) 2.791 5.729 ( 1.631 1.131 -3.321) 3.869 5.834 ( -0.055 0.357 0.531) 0.643 6.034 ( -1.314 1.420 1.782) 2.630 6.049 ( -0.160 -0.788 0.509) 0.952 6.118 ( 0.624 -3.139 -0.742) 3.285 6.264 ( 0.291 -3.045 -0.517) 3.102 6.462 ( 2.801 -0.753 -0.252) 2.911 6.484 ( -2.125 -0.241 -1.783) 2.785 6.584 ( -0.595 2.881 1.738) 3.417 6.601 ( -2.511 0.542 1.687) 3.074 6.620 ( 2.514 -0.555 -0.734) 2.677 6.766 ( -0.054 -0.206 0.187) 0.284 6.877 ( -0.985 1.397 -1.007) 1.984 6.923 ( -0.996 5.486 -0.899) 5.647 7.017 ( 1.817 -0.818 2.629) 3.299 7.023 ( 1.645 1.390 1.864) 2.849 7.094 ( -0.287 2.145 -4.226) 4.747 7.203 ( -1.315 2.047 -1.732) 2.986 7.286 ( -0.167 1.792 0.187) 1.810 7.308 ( 0.877 0.468 0.403) 1.073 7.366 ( -0.261 1.571 0.972) 1.866 7.415 ( 0.700 -0.637 0.818) 1.251 7.512 ( 1.225 -0.815 1.941) 2.436 7.536 ( -3.305 -0.014 0.767) 3.393 7.557 ( -1.433 -0.548 3.181) 3.532 7.656 ( 0.033 2.455 -3.994) 4.689 7.680 ( 1.019 -0.749 -0.340) 1.310 7.735 ( 1.856 -4.649 -3.332) 6.013 7.829 ( 0.782 0.741 2.312) 2.551 7.954 ( 0.210 -0.768 -2.547) 2.669 7.997 ( -1.685 -0.040 -0.274) 1.708 8.141 ( 0.276 -0.956 0.109) 1.001 8.203 ( 0.342 -0.272 3.336) 3.364 8.388 ( -2.193 -2.921 -0.065) 3.653 8.434 ( 1.293 -1.124 -2.619) 3.129 8.453 ( 0.354 0.588 0.051) 0.689 8.660 ( -1.012 2.296 2.197) 3.336 8.746 ( 1.793 -0.275 -4.003) 4.395 8.797 ( 1.503 -2.798 2.120) 3.819 8.896 ( -2.212 -5.344 0.558) 5.810 9.037 ( -2.173 -3.699 0.543) 4.324 9.069 ( 2.172 -5.187 -2.000) 5.968 9.204 ( -0.151 -1.139 0.437) 1.230 9.255 ( 0.393 -2.251 0.843) 2.435 9.513 ( -0.069 0.662 1.689) 1.815 9.625 ( -0.077 -2.617 -0.900) 2.769 10.043 ( 0.047 1.684 -0.215) 1.698 10.247 ( -0.020 -4.649 -0.023) 4.650 ======================= Grid point 91 (48/56) ======================= q-point: ( 0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.552 7.167 -0.056) 7.188 1.595 ( -2.134 5.744 -0.435) 6.143 1.673 ( -0.635 5.483 -0.436) 5.536 1.872 ( 1.258 -0.121 -0.347) 1.311 1.904 ( -0.994 8.235 0.837) 8.337 2.037 ( -1.099 3.304 -0.142) 3.485 2.095 ( -1.332 6.422 -0.152) 6.560 2.126 ( -0.039 7.188 -3.711) 8.090 2.166 ( -0.700 2.237 2.322) 3.299 2.236 ( -3.635 0.723 2.579) 4.515 2.270 ( -1.052 2.348 -3.274) 4.164 2.290 ( -0.468 3.209 1.816) 3.717 2.352 ( 1.602 2.108 -1.588) 3.087 2.411 ( -0.493 0.691 2.491) 2.631 2.449 ( 0.621 2.819 2.749) 3.987 2.520 ( -2.613 5.298 -2.143) 6.284 2.573 ( -3.491 -1.441 -2.250) 4.396 2.621 ( -2.226 0.945 0.397) 2.450 2.682 ( -0.485 -1.021 1.296) 1.719 2.844 ( -1.704 -1.884 2.478) 3.548 2.917 ( -2.590 -4.938 -1.894) 5.889 2.964 ( 5.585 -6.950 0.057) 8.916 3.080 ( -6.034 -5.876 -2.572) 8.807 3.218 ( 0.939 -7.391 -0.511) 7.468 3.323 ( -0.962 9.121 1.864) 9.359 3.470 ( 1.013 4.909 2.883) 5.782 3.623 ( 3.697 5.325 -4.204) 7.726 3.722 ( 6.019 5.081 -2.571) 8.286 3.760 ( 3.230 5.928 5.731) 8.855 3.877 ( 3.495 3.122 1.745) 5.001 3.880 ( 3.621 3.794 3.947) 6.564 3.954 ( -2.411 11.344 0.273) 11.601 4.001 ( -0.408 12.948 -5.296) 13.995 4.143 ( -1.746 10.629 -5.426) 12.061 4.327 ( -3.997 8.542 1.437) 9.540 4.376 ( -3.652 7.375 1.087) 8.301 4.528 ( 0.468 4.241 0.789) 4.339 4.596 ( 2.460 2.097 -0.195) 3.238 5.120 ( -0.508 1.031 0.047) 1.151 5.139 ( 0.396 0.445 0.034) 0.597 5.603 ( 3.239 4.615 1.453) 5.822 5.659 ( 2.765 1.387 1.271) 3.345 5.753 ( 1.852 0.958 -4.238) 4.724 5.866 ( 2.615 0.268 0.465) 2.670 6.015 ( -1.125 0.322 2.406) 2.676 6.081 ( 2.360 -1.503 -0.046) 2.798 6.148 ( 2.895 -1.587 -0.289) 3.315 6.282 ( 1.427 -1.810 -0.028) 2.305 6.438 ( -1.414 0.030 -3.093) 3.401 6.495 ( -1.243 1.606 1.867) 2.759 6.545 ( -0.360 -3.024 -0.028) 3.045 6.613 ( 1.627 3.480 -0.403) 3.863 6.672 ( 2.090 -1.738 1.580) 3.144 6.741 ( -1.452 -0.477 -0.607) 1.645 6.849 ( -1.515 0.797 0.852) 1.912 6.926 ( 0.269 5.230 1.507) 5.449 6.987 ( -3.897 -1.698 -0.187) 4.255 7.031 ( -1.910 2.053 -2.073) 3.487 7.079 ( 0.532 4.135 -1.449) 4.413 7.222 ( 2.239 2.287 0.686) 3.273 7.276 ( -0.612 1.585 -1.281) 2.128 7.349 ( 2.211 0.502 -0.352) 2.295 7.358 ( -4.535 -2.601 1.865) 5.550 7.378 ( -0.469 0.032 -0.201) 0.511 7.461 ( -1.210 -0.030 4.142) 4.315 7.513 ( 0.612 0.893 -0.787) 1.339 7.586 ( 0.720 1.041 1.350) 1.850 7.638 ( -0.788 2.755 -2.450) 3.770 7.703 ( 0.847 -0.466 -0.072) 0.969 7.794 ( 0.044 -3.661 -2.965) 4.711 7.836 ( 2.113 0.315 -0.643) 2.231 7.928 ( -1.147 -3.111 -0.044) 3.316 7.977 ( 0.069 3.093 -0.170) 3.099 8.125 ( -1.379 -0.894 0.872) 1.861 8.229 ( 1.188 -2.277 1.997) 3.253 8.354 ( -1.354 -2.914 0.799) 3.311 8.439 ( 1.391 0.714 -1.438) 2.124 8.513 ( 3.705 -0.764 -0.287) 3.794 8.619 ( -3.746 1.568 1.270) 4.255 8.757 ( 0.197 -1.326 -4.396) 4.596 8.804 ( -0.447 -1.529 -1.428) 2.139 8.866 ( -1.908 -3.387 3.708) 5.373 8.995 ( -1.296 -3.849 1.967) 4.512 9.098 ( 0.987 -6.733 -1.483) 6.965 9.209 ( 0.630 -0.531 -0.049) 0.826 9.267 ( 0.514 -2.488 0.010) 2.540 9.507 ( -0.841 0.781 1.397) 1.808 9.628 ( 0.495 -2.783 -0.669) 2.905 10.030 ( -1.140 1.865 -0.208) 2.196 10.238 ( -0.721 -4.650 0.029) 4.705 ======================= Grid point 92 (49/56) ======================= q-point: ( 0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.400 7.073 -0.118) 7.085 1.565 ( -0.390 5.969 -1.167) 6.094 1.649 ( -1.233 5.847 0.141) 5.977 1.881 ( -0.475 3.216 0.201) 3.257 1.918 ( 1.445 1.815 2.788) 3.627 1.994 ( -1.907 5.212 1.327) 5.706 2.056 ( -1.754 4.490 -3.780) 6.125 2.127 ( -0.145 8.212 -0.979) 8.272 2.146 ( 0.491 5.906 0.322) 5.935 2.205 ( -0.443 4.389 1.133) 4.554 2.266 ( 1.136 1.253 -2.595) 3.097 2.290 ( 0.333 6.203 1.009) 6.293 2.337 ( -3.628 2.136 0.025) 4.210 2.379 ( -3.163 2.013 0.845) 3.843 2.437 ( -0.697 7.043 -2.133) 7.392 2.486 ( 1.831 3.015 3.379) 4.884 2.561 ( 0.398 0.320 2.192) 2.251 2.614 ( 0.835 -4.132 -3.731) 5.629 2.669 ( -1.805 2.729 2.416) 4.067 2.789 ( -1.346 -7.743 1.386) 7.981 2.875 ( -0.387 -1.829 -1.229) 2.238 2.932 ( -4.532 -4.318 -3.110) 6.990 3.082 ( 1.567 -9.806 1.220) 10.005 3.231 ( -0.153 -7.836 -3.282) 8.497 3.383 ( 6.410 5.750 3.313) 9.227 3.469 ( -1.788 4.801 3.419) 6.159 3.682 ( 2.075 4.905 -1.822) 5.628 3.753 ( -1.963 2.330 -0.755) 3.139 3.814 ( 0.206 7.823 5.220) 9.407 3.895 ( -2.153 6.957 0.405) 7.294 3.937 ( 2.552 7.597 -5.403) 9.666 3.977 ( 0.980 9.029 -4.035) 9.938 4.052 ( 7.763 9.854 0.143) 12.546 4.127 ( 2.277 8.310 0.711) 8.646 4.226 ( -5.825 7.988 1.375) 9.981 4.288 ( -4.866 5.857 1.011) 7.681 4.544 ( 0.579 5.602 -0.016) 5.632 4.635 ( 1.131 2.135 -0.135) 2.419 5.114 ( -0.142 1.611 0.111) 1.621 5.145 ( 0.186 0.777 -0.008) 0.799 5.645 ( 0.558 4.631 1.963) 5.060 5.745 ( 3.644 1.558 -0.346) 3.978 5.775 ( 1.483 0.007 -2.381) 2.805 5.904 ( 0.394 0.334 -0.513) 0.728 6.003 ( -0.442 0.065 2.070) 2.118 6.111 ( 0.709 -5.280 -0.138) 5.329 6.227 ( 3.539 1.736 0.212) 3.948 6.311 ( 1.366 1.296 0.741) 2.023 6.418 ( -0.062 0.788 -3.191) 3.287 6.441 ( -3.352 0.492 1.821) 3.846 6.550 ( 0.686 -2.070 -0.254) 2.196 6.669 ( -1.124 -1.120 -1.127) 1.947 6.677 ( 4.679 0.299 -0.554) 4.721 6.752 ( -0.181 -2.053 0.115) 2.065 6.825 ( -0.781 0.558 2.028) 2.243 6.885 ( -3.206 -1.784 1.277) 3.885 6.914 ( -3.385 2.372 0.551) 4.171 7.000 ( 0.608 5.288 -1.486) 5.527 7.083 ( -0.306 5.034 -0.920) 5.127 7.217 ( -2.970 -1.617 1.523) 3.709 7.278 ( 1.269 1.204 -1.288) 2.172 7.291 ( -0.104 0.241 -0.739) 0.785 7.377 ( 0.436 0.433 1.741) 1.847 7.402 ( 1.510 0.645 -0.853) 1.850 7.498 ( 2.262 -1.579 2.445) 3.686 7.533 ( 0.011 2.162 2.633) 3.407 7.578 ( -0.582 3.248 -1.827) 3.772 7.622 ( 0.612 1.043 -1.465) 1.900 7.693 ( -2.045 -0.210 -0.673) 2.163 7.726 ( -2.917 -1.686 -0.872) 3.480 7.853 ( -0.405 2.376 -4.609) 5.201 7.957 ( 1.775 0.874 -2.481) 3.174 8.005 ( 2.690 -2.260 5.578) 6.592 8.115 ( 0.550 -1.615 0.022) 1.706 8.246 ( -1.059 -2.058 1.703) 2.873 8.336 ( -0.384 -4.636 0.948) 4.747 8.477 ( 2.501 0.803 -0.864) 2.765 8.523 ( -4.184 1.202 -1.288) 4.539 8.593 ( 3.236 -0.340 2.039) 3.840 8.716 ( -2.657 -2.567 -3.240) 4.914 8.806 ( -0.129 1.626 -1.309) 2.091 8.827 ( -0.955 -3.052 0.940) 3.334 9.005 ( 0.582 -4.972 4.670) 6.846 9.101 ( -0.084 -7.623 -1.763) 7.825 9.220 ( 0.400 0.173 -1.196) 1.273 9.270 ( -0.199 -2.594 -0.200) 2.609 9.499 ( -0.331 0.971 1.520) 1.834 9.636 ( 0.414 -3.054 -0.766) 3.176 10.007 ( -0.747 2.174 -0.154) 2.304 10.225 ( -0.444 -4.688 0.066) 4.709 ======================= Grid point 93 (50/56) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -0.379 7.138 -0.097) 7.149 1.574 ( 1.675 5.507 -2.023) 6.101 1.640 ( 0.298 5.993 0.954) 6.076 1.868 ( -0.460 2.889 0.929) 3.069 1.955 ( 1.083 0.270 2.891) 3.099 2.004 ( 1.683 7.462 2.123) 7.939 2.015 ( -0.648 3.748 -4.918) 6.217 2.126 ( -0.137 7.379 -0.894) 7.434 2.175 ( 2.588 6.051 -1.015) 6.659 2.197 ( -0.264 5.340 0.078) 5.347 2.269 ( -1.186 -0.355 -1.575) 2.003 2.275 ( -0.480 4.777 1.545) 5.043 2.325 ( 1.625 6.119 0.745) 6.375 2.354 ( 0.885 3.928 2.288) 4.631 2.451 ( 1.817 6.985 -2.657) 7.691 2.533 ( 0.555 2.797 1.619) 3.279 2.539 ( -0.993 -2.801 1.322) 3.253 2.612 ( 0.687 -0.365 -1.454) 1.649 2.694 ( 2.503 0.559 0.363) 2.590 2.791 ( 0.596 -8.893 0.841) 8.952 2.874 ( 1.097 -3.891 -1.585) 4.342 2.905 ( 2.855 -2.081 -0.993) 3.670 3.080 ( -2.464 -8.760 1.369) 9.203 3.202 ( -1.203 -6.788 -1.042) 6.972 3.432 ( -2.143 6.230 0.351) 6.598 3.513 ( 3.738 2.561 0.655) 4.578 3.656 ( -4.671 3.903 -1.173) 6.199 3.684 ( -3.638 2.857 3.837) 6.010 3.807 ( -1.312 8.866 3.096) 9.482 3.863 ( 0.039 5.578 2.070) 5.950 3.966 ( 0.163 10.065 -5.317) 11.384 4.018 ( 3.897 9.624 -5.673) 11.832 4.065 ( -6.361 8.504 -1.179) 10.685 4.130 ( -2.322 5.741 0.704) 6.233 4.213 ( 3.738 9.333 2.622) 10.389 4.296 ( 5.924 6.308 0.547) 8.671 4.542 ( -0.669 5.382 0.082) 5.424 4.630 ( -1.659 2.108 0.176) 2.688 5.115 ( 0.192 1.485 0.059) 1.499 5.145 ( -0.238 0.841 0.020) 0.874 5.650 ( -0.655 4.948 1.888) 5.337 5.748 ( -2.183 0.736 -1.229) 2.611 5.764 ( -3.108 0.753 -1.102) 3.382 5.894 ( -0.871 0.742 0.162) 1.156 6.022 ( 1.592 -0.533 0.799) 1.859 6.107 ( -1.114 -5.528 0.095) 5.640 6.228 ( -3.382 1.761 0.156) 3.816 6.335 ( -3.270 -1.201 -0.104) 3.485 6.359 ( 1.313 3.427 0.669) 3.730 6.467 ( 3.095 0.547 -0.631) 3.206 6.561 ( 0.506 -2.394 -0.953) 2.626 6.659 ( -4.130 1.058 -0.572) 4.301 6.685 ( 1.692 -1.233 -0.996) 2.318 6.746 ( -1.026 -2.052 0.590) 2.369 6.851 ( 2.136 -1.338 -0.146) 2.525 6.880 ( 1.795 3.589 2.773) 4.877 6.893 ( 1.956 -1.338 1.227) 2.669 7.000 ( -0.462 5.210 -1.640) 5.481 7.082 ( 0.678 4.927 -0.679) 5.019 7.217 ( 2.453 -2.347 1.336) 3.648 7.282 ( -0.295 1.279 -1.342) 1.877 7.288 ( -0.284 0.974 -0.677) 1.219 7.374 ( -1.038 0.491 2.291) 2.563 7.412 ( -1.147 -0.214 -1.375) 1.804 7.495 ( -0.689 1.973 0.965) 2.303 7.530 ( -2.959 0.969 2.747) 4.152 7.587 ( 2.346 1.463 -0.363) 2.789 7.655 ( 1.230 0.864 -3.024) 3.377 7.684 ( 3.449 -0.541 -1.365) 3.749 7.708 ( 1.036 -1.392 -0.399) 1.780 7.799 ( -3.637 2.416 0.760) 4.432 7.975 ( 0.861 1.429 -3.677) 4.038 8.072 ( 2.227 -1.920 2.677) 3.976 8.111 ( -2.649 -4.731 -4.159) 6.833 8.194 ( -2.670 0.916 6.958) 7.509 8.354 ( 1.603 -4.624 -0.466) 4.916 8.466 ( -1.505 0.988 0.519) 1.874 8.525 ( 2.078 0.488 -1.602) 2.669 8.644 ( -1.020 -1.602 -0.154) 1.906 8.670 ( 1.836 0.209 -1.047) 2.124 8.770 ( -1.691 -0.830 0.671) 2.000 8.864 ( 3.147 -2.215 -1.617) 4.174 9.029 ( 0.196 -5.459 5.035) 7.429 9.086 ( -0.706 -6.994 -2.653) 7.513 9.217 ( -0.205 0.496 -1.213) 1.326 9.261 ( -0.704 -2.702 0.619) 2.860 9.500 ( -0.061 0.909 1.358) 1.635 9.638 ( 0.050 -3.057 -0.874) 3.180 10.007 ( 0.767 2.180 -0.136) 2.315 10.226 ( 0.465 -4.701 0.040) 4.724 ======================= Grid point 94 (51/56) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -0.513 7.241 -0.056) 7.260 1.612 ( 2.432 5.193 -1.850) 6.025 1.656 ( 0.504 5.735 0.995) 5.843 1.874 ( 0.458 2.693 -0.621) 2.802 1.948 ( -1.479 2.198 -1.825) 3.217 2.018 ( 1.391 4.480 1.166) 4.833 2.052 ( 1.996 5.863 1.488) 6.370 2.120 ( 0.617 7.308 -1.662) 7.520 2.204 ( 0.484 2.651 0.895) 2.840 2.217 ( 0.722 2.481 -1.578) 3.027 2.258 ( 0.667 3.566 2.834) 4.603 2.309 ( 0.305 2.886 0.271) 2.914 2.335 ( 2.074 2.884 -0.834) 3.649 2.391 ( 1.207 1.744 2.707) 3.439 2.472 ( 1.682 3.715 -1.987) 4.536 2.515 ( -1.238 -1.222 3.837) 4.212 2.561 ( 1.119 2.861 -3.898) 4.963 2.640 ( 1.209 3.115 -0.382) 3.363 2.727 ( 3.014 -2.510 -2.381) 4.589 2.859 ( 2.833 -7.320 3.602) 8.636 2.906 ( 2.679 -4.903 -2.915) 6.302 2.981 ( -6.519 -5.893 -2.119) 9.040 3.003 ( 6.219 -1.711 3.244) 7.220 3.186 ( -0.309 -4.682 1.573) 4.949 3.404 ( 0.342 7.404 -3.777) 8.319 3.516 ( -4.022 5.024 5.119) 8.223 3.568 ( -1.060 3.660 -5.732) 6.883 3.647 ( -1.313 0.370 3.490) 3.747 3.788 ( -3.137 6.051 3.858) 7.832 3.817 ( -9.768 12.466 3.548) 16.230 3.884 ( 0.189 1.763 1.670) 2.435 4.023 ( 1.128 10.465 -3.972) 11.250 4.038 ( -0.962 10.480 -2.966) 10.934 4.130 ( 3.401 9.131 -6.595) 11.766 4.305 ( 3.804 10.135 3.246) 11.301 4.399 ( 3.293 7.956 -0.273) 8.615 4.531 ( -0.027 3.463 0.512) 3.501 4.581 ( -2.973 1.928 0.814) 3.636 5.121 ( 0.447 0.876 -0.024) 0.984 5.138 ( -0.382 0.520 0.090) 0.652 5.608 ( -4.048 4.766 1.153) 6.359 5.677 ( -3.264 0.997 2.089) 4.001 5.721 ( -0.220 1.534 -3.889) 4.186 5.860 ( -2.248 0.916 0.685) 2.522 6.048 ( 0.291 -0.149 0.070) 0.334 6.074 ( -1.962 -3.651 0.796) 4.221 6.142 ( -3.542 -0.118 -0.140) 3.547 6.279 ( -1.806 -2.426 0.186) 3.030 6.404 ( 2.789 0.984 -0.404) 2.985 6.517 ( 0.794 1.620 -0.194) 1.814 6.563 ( 0.256 -3.268 -1.465) 3.591 6.599 ( -0.717 3.306 0.681) 3.451 6.678 ( -4.415 -1.131 1.467) 4.787 6.737 ( 2.592 -0.376 -0.502) 2.667 6.883 ( 0.911 0.057 -1.807) 2.024 6.935 ( 2.934 2.159 1.909) 4.112 6.962 ( 1.715 0.964 3.213) 3.767 6.981 ( -0.196 5.186 -1.664) 5.450 7.096 ( 1.126 1.289 -2.211) 2.796 7.241 ( -1.014 2.546 -0.446) 2.777 7.276 ( 1.226 0.310 -1.563) 2.011 7.325 ( -0.946 0.132 1.232) 1.559 7.359 ( 1.915 -0.750 2.181) 2.998 7.378 ( -0.358 0.126 0.126) 0.400 7.479 ( -1.535 1.194 2.248) 2.973 7.517 ( 2.561 0.920 -0.857) 2.853 7.613 ( -0.756 0.440 -0.001) 0.874 7.663 ( 0.249 -1.178 -3.738) 3.928 7.690 ( -2.076 2.012 -1.094) 3.091 7.737 ( 0.865 -0.697 2.800) 3.013 7.796 ( 1.806 -0.812 0.757) 2.120 7.958 ( -0.702 -1.478 -3.662) 4.011 8.030 ( -2.109 -2.304 -1.697) 3.555 8.115 ( 1.597 -0.995 1.206) 2.235 8.194 ( -0.256 1.578 4.082) 4.384 8.388 ( 2.186 -2.681 -1.584) 3.805 8.436 ( -2.015 -0.874 0.619) 2.282 8.504 ( -3.093 -0.652 -1.356) 3.439 8.651 ( 1.370 0.670 0.565) 1.626 8.712 ( 2.173 1.431 -1.521) 3.014 8.763 ( 0.731 -2.720 1.435) 3.161 8.914 ( 1.311 -4.468 -0.744) 4.715 9.036 ( 0.054 -4.599 0.922) 4.690 9.069 ( -0.421 -5.752 -1.105) 5.872 9.209 ( -0.346 -0.559 -0.123) 0.669 9.251 ( -0.380 -2.248 1.188) 2.571 9.505 ( 0.180 0.905 1.406) 1.682 9.633 ( -0.257 -2.848 -0.893) 2.996 10.029 ( 1.209 1.871 -0.181) 2.235 10.239 ( 0.706 -4.673 -0.015) 4.726 ======================= Grid point 95 (52/56) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -0.019 5.807 -0.241) 5.812 1.691 ( -0.088 0.011 -0.749) 0.754 1.738 ( 0.324 2.384 -0.006) 2.406 1.797 ( -0.424 -4.295 0.425) 4.337 2.025 ( 0.811 1.482 -1.329) 2.149 2.049 ( 0.981 -1.591 -0.815) 2.039 2.156 ( -1.138 4.465 2.912) 5.450 2.221 ( 0.550 1.751 -1.133) 2.157 2.245 ( -2.416 1.875 0.832) 3.170 2.284 ( 1.196 1.791 0.005) 2.153 2.296 ( 0.545 -1.124 2.524) 2.816 2.340 ( -0.096 -1.315 0.386) 1.374 2.352 ( -0.145 2.716 -1.873) 3.303 2.409 ( 1.223 -1.965 -2.097) 3.123 2.497 ( -1.484 4.720 0.877) 5.025 2.566 ( 0.504 0.396 -1.246) 1.401 2.640 ( -0.922 2.015 0.596) 2.295 2.655 ( -0.199 -0.602 -0.003) 0.634 2.731 ( -1.963 -0.269 2.046) 2.848 2.787 ( 0.849 -3.372 0.229) 3.485 2.810 ( 1.974 -1.223 -0.633) 2.407 2.831 ( -0.380 -4.469 -1.874) 4.861 3.084 ( 0.364 -0.452 1.263) 1.390 3.120 ( 0.145 -3.492 -0.165) 3.499 3.527 ( -2.207 3.997 -2.156) 5.049 3.538 ( -1.728 2.686 -0.391) 3.217 3.633 ( 3.273 1.342 -0.053) 3.538 3.645 ( 3.178 0.512 0.822) 3.322 3.761 ( 0.647 1.348 1.362) 2.023 3.798 ( -2.451 -1.940 -1.309) 3.389 4.039 ( -1.208 9.076 8.335) 12.381 4.124 ( -1.992 0.653 6.764) 7.082 4.244 ( 1.473 7.647 -9.299) 12.130 4.299 ( 2.078 1.995 -7.569) 8.099 4.456 ( -0.439 2.586 -0.576) 2.686 4.483 ( -1.126 0.117 -1.006) 1.514 4.625 ( 0.302 3.844 2.397) 4.540 4.632 ( 0.063 3.187 2.230) 3.891 5.137 ( 0.066 0.314 0.073) 0.329 5.139 ( -0.070 0.208 0.115) 0.248 5.649 ( -0.060 4.590 0.106) 4.592 5.690 ( -0.718 1.987 -0.383) 2.148 5.739 ( 0.823 0.577 0.578) 1.159 5.799 ( 0.008 -3.727 -0.791) 3.811 6.028 ( -0.395 0.119 1.393) 1.453 6.041 ( -0.244 -1.133 1.652) 2.018 6.130 ( 0.362 3.180 -1.097) 3.384 6.198 ( 0.471 -3.610 -0.732) 3.714 6.448 ( 1.268 -0.235 -1.752) 2.175 6.460 ( -0.756 -1.410 -2.187) 2.709 6.598 ( -2.057 0.567 2.284) 3.125 6.605 ( 0.679 -0.107 2.401) 2.497 6.687 ( 0.017 4.141 0.105) 4.143 6.747 ( -0.042 -1.916 0.064) 1.917 6.903 ( -0.192 1.776 -1.193) 2.148 6.955 ( 0.624 -3.268 -0.005) 3.327 7.047 ( -0.321 6.062 0.027) 6.071 7.085 ( 0.934 2.766 1.412) 3.243 7.126 ( 1.334 1.059 -3.081) 3.520 7.189 ( -1.237 -4.007 -0.617) 4.238 7.291 ( -0.014 0.453 1.744) 1.802 7.308 ( 0.320 -0.548 0.022) 0.635 7.394 ( -0.037 0.828 0.391) 0.916 7.411 ( -0.421 -0.511 1.653) 1.781 7.508 ( -0.385 1.183 1.699) 2.106 7.530 ( -0.908 0.177 0.250) 0.958 7.549 ( -1.911 -0.574 2.337) 3.074 7.595 ( 1.306 -4.638 -0.376) 4.833 7.693 ( 0.601 0.618 -2.535) 2.678 7.700 ( 0.827 -0.063 -4.478) 4.554 7.854 ( 0.805 1.853 1.225) 2.363 7.900 ( 0.513 -2.787 -1.154) 3.059 8.036 ( -0.659 2.170 0.169) 2.275 8.083 ( -0.483 -2.924 1.156) 3.181 8.252 ( -0.206 3.407 0.014) 3.413 8.322 ( -0.589 -3.696 -0.877) 3.844 8.432 ( 0.447 0.853 -0.812) 1.260 8.452 ( 0.128 -0.738 -0.210) 0.778 8.698 ( -0.074 1.686 0.687) 1.822 8.730 ( 0.889 -1.534 -0.261) 1.792 8.771 ( 0.541 0.482 1.257) 1.451 8.809 ( -1.420 -3.353 0.796) 3.727 8.989 ( -0.682 -0.977 -0.676) 1.370 8.999 ( 0.807 -1.983 -1.067) 2.392 9.200 ( 0.021 0.570 0.345) 0.667 9.220 ( 0.161 -1.400 0.570) 1.520 9.538 ( -0.071 1.780 0.599) 1.880 9.578 ( -0.044 -2.256 -0.417) 2.295 10.091 ( 0.019 3.153 -0.089) 3.154 10.162 ( -0.006 -4.050 -0.013) 4.050 ======================= Grid point 96 (53/56) ======================= q-point: ( 0.20 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.109 5.037 -0.210) 5.043 1.664 ( -1.536 1.224 -0.754) 2.104 1.741 ( -0.412 2.286 0.115) 2.325 1.807 ( 0.877 -4.623 0.855) 4.782 2.023 ( -0.890 3.229 -1.854) 3.828 2.049 ( -0.261 -0.615 -1.231) 1.401 2.142 ( -1.708 1.586 2.254) 3.242 2.188 ( -0.676 -2.293 0.358) 2.417 2.246 ( 1.513 5.744 0.439) 5.956 2.296 ( -0.957 3.402 1.959) 4.041 2.317 ( 1.122 1.373 -1.867) 2.575 2.350 ( 0.412 0.399 -0.395) 0.696 2.375 ( 2.396 1.634 -1.261) 3.162 2.434 ( 1.290 0.460 -0.894) 1.635 2.458 ( -1.170 1.365 2.296) 2.916 2.540 ( -3.390 -2.869 1.400) 4.657 2.617 ( -2.679 2.408 1.524) 3.911 2.649 ( 0.024 5.116 -0.659) 5.158 2.690 ( -0.366 -0.742 -0.744) 1.113 2.778 ( -2.819 -2.828 -1.261) 4.187 2.827 ( 0.412 -4.983 0.001) 5.000 2.835 ( 0.859 -4.297 -0.801) 4.454 3.020 ( -5.739 0.488 -0.069) 5.760 3.085 ( -2.799 -5.583 -0.119) 6.247 3.467 ( -1.598 5.234 1.549) 5.687 3.520 ( -0.830 -0.073 1.960) 2.130 3.691 ( 3.953 2.270 -4.379) 6.321 3.722 ( 3.931 -1.030 -3.831) 5.584 3.847 ( 6.282 2.809 2.052) 7.181 3.884 ( 6.978 -0.819 2.570) 7.481 4.040 ( -0.449 6.515 6.791) 9.422 4.084 ( -2.973 2.092 5.440) 6.543 4.211 ( -1.367 7.212 -8.475) 11.211 4.265 ( -2.554 1.729 -6.882) 7.542 4.434 ( -2.740 3.012 0.892) 4.169 4.452 ( -2.843 1.152 1.085) 3.254 4.628 ( 0.469 4.073 0.907) 4.199 4.649 ( 1.175 1.774 0.816) 2.279 5.139 ( 0.201 0.742 0.025) 0.769 5.145 ( 0.512 0.082 0.112) 0.531 5.697 ( 4.137 3.335 0.364) 5.326 5.702 ( 1.410 2.979 0.700) 3.369 5.765 ( 1.667 0.947 -1.199) 2.261 5.833 ( 3.341 -3.844 -0.183) 5.096 6.019 ( -0.942 0.422 0.975) 1.419 6.037 ( -0.566 -1.656 1.150) 2.094 6.177 ( 4.331 2.917 -0.765) 5.277 6.235 ( 3.253 -2.890 -0.576) 4.389 6.441 ( 0.049 0.840 -2.557) 2.692 6.477 ( 1.641 -2.598 -1.500) 3.419 6.557 ( -2.694 3.354 2.310) 4.883 6.623 ( -0.200 -3.109 2.358) 3.907 6.677 ( -0.533 2.949 0.333) 3.015 6.723 ( -1.695 -1.602 -0.142) 2.337 6.868 ( -2.148 1.573 -0.318) 2.682 6.915 ( -3.490 -3.127 -0.191) 4.690 7.068 ( 0.570 7.024 1.995) 7.324 7.099 ( -0.155 3.705 -2.381) 4.407 7.138 ( 1.016 1.463 -2.859) 3.369 7.213 ( 1.290 -4.890 1.522) 5.282 7.284 ( -1.678 0.299 -0.170) 1.713 7.306 ( -4.909 -1.569 1.703) 5.427 7.338 ( 1.499 -0.314 -0.410) 1.585 7.358 ( -0.733 -1.467 1.313) 2.101 7.492 ( -0.639 2.755 1.763) 3.333 7.536 ( 0.331 -0.489 1.412) 1.530 7.595 ( 3.157 1.836 0.166) 3.655 7.661 ( 2.025 -2.510 -0.784) 3.319 7.697 ( 0.366 0.132 -0.861) 0.945 7.713 ( 1.072 -1.868 -2.670) 3.431 7.854 ( 0.456 1.315 -0.972) 1.698 7.883 ( -0.358 -1.636 -2.381) 2.911 8.026 ( -0.494 1.848 -0.216) 1.926 8.069 ( -1.318 -3.029 1.459) 3.611 8.243 ( -0.751 2.273 2.068) 3.164 8.296 ( -1.838 -2.997 1.198) 3.714 8.456 ( 2.006 1.272 -1.006) 2.579 8.487 ( 2.873 -1.663 -0.948) 3.452 8.658 ( -3.340 2.335 -0.620) 4.123 8.711 ( -2.294 -2.958 -1.741) 4.128 8.792 ( 0.988 0.314 0.755) 1.282 8.815 ( 0.819 -1.904 2.830) 3.508 8.964 ( -1.347 0.357 -0.157) 1.402 9.000 ( -0.334 -3.352 -0.985) 3.510 9.211 ( 0.852 0.658 0.107) 1.082 9.231 ( 0.692 -1.378 0.124) 1.547 9.535 ( -0.350 1.929 0.525) 2.030 9.578 ( 0.118 -2.394 -0.330) 2.419 10.081 ( -0.919 3.252 -0.079) 3.381 10.153 ( -0.790 -4.104 0.008) 4.180 ======================= Grid point 97 (54/56) ======================= q-point: ( 0.40 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.125 3.837 -0.198) 3.845 1.642 ( -0.412 1.932 -0.911) 2.175 1.731 ( -0.454 3.636 0.471) 3.694 1.821 ( 0.195 -5.083 0.961) 5.177 1.993 ( -1.024 3.225 0.033) 3.384 2.039 ( -0.389 -1.387 -2.120) 2.563 2.121 ( -0.169 4.576 0.627) 4.622 2.200 ( 0.338 -2.581 -0.467) 2.644 2.264 ( -1.174 4.308 1.989) 4.888 2.284 ( 1.509 5.177 0.575) 5.423 2.328 ( -0.991 2.511 -0.656) 2.778 2.343 ( 0.069 2.165 -1.140) 2.448 2.404 ( 0.861 2.779 0.225) 2.918 2.433 ( -0.454 2.941 -0.896) 3.108 2.479 ( 0.838 -3.358 2.201) 4.102 2.516 ( 1.532 -2.363 3.155) 4.229 2.580 ( -1.228 3.325 -1.112) 3.715 2.640 ( -2.909 2.544 -1.216) 4.051 2.668 ( 1.042 1.976 0.421) 2.273 2.730 ( -0.123 2.423 -0.794) 2.553 2.777 ( -3.907 -4.791 -1.436) 6.347 2.870 ( 0.776 -10.655 0.452) 10.693 2.928 ( -2.102 1.881 -0.850) 2.947 3.036 ( -1.557 -9.380 -1.484) 9.623 3.485 ( 2.307 3.784 3.075) 5.394 3.519 ( -0.168 0.375 3.119) 3.146 3.749 ( 1.774 2.068 -3.201) 4.203 3.766 ( 0.622 0.075 -2.644) 2.717 3.931 ( 0.603 3.519 2.995) 4.660 3.956 ( -1.058 0.742 2.150) 2.508 4.075 ( 2.786 4.335 -1.376) 5.334 4.092 ( 2.202 2.589 -1.190) 3.601 4.197 ( 2.903 4.432 -2.237) 5.752 4.223 ( 1.204 1.687 -1.891) 2.806 4.346 ( -5.298 3.775 1.464) 6.668 4.364 ( -5.410 1.744 1.333) 5.839 4.650 ( 0.904 4.024 0.014) 4.124 4.678 ( 0.947 1.069 0.266) 1.453 5.144 ( 0.164 1.231 -0.017) 1.242 5.155 ( 0.326 0.060 0.111) 0.349 5.725 ( 0.538 3.086 1.243) 3.370 5.767 ( 1.319 -1.223 -1.094) 2.105 5.809 ( 3.065 5.028 0.009) 5.888 5.899 ( 2.097 -2.460 -0.197) 3.239 6.000 ( -0.642 -0.112 0.556) 0.857 6.022 ( -1.225 -2.749 0.440) 3.041 6.268 ( 3.563 2.110 -0.267) 4.149 6.305 ( 2.931 -1.571 -0.078) 3.327 6.448 ( 1.004 2.257 -2.051) 3.211 6.488 ( -1.816 1.098 -0.748) 2.250 6.513 ( -0.236 1.130 0.736) 1.369 6.609 ( -0.825 -5.150 0.386) 5.230 6.678 ( 0.782 0.660 0.044) 1.025 6.704 ( -0.693 -1.947 0.149) 2.072 6.840 ( -0.527 0.572 0.437) 0.892 6.855 ( -2.157 -1.076 1.272) 2.726 7.010 ( -4.047 6.589 1.286) 7.839 7.105 ( 0.693 4.759 -1.764) 5.122 7.134 ( -4.456 -4.485 1.228) 6.441 7.155 ( 0.378 -0.515 -1.386) 1.526 7.293 ( 1.640 0.841 0.486) 1.906 7.303 ( 1.549 0.076 -0.256) 1.572 7.370 ( 0.642 -0.555 1.485) 1.711 7.382 ( 1.306 -1.993 0.216) 2.393 7.495 ( 0.629 2.165 0.254) 2.269 7.542 ( 0.028 -1.696 0.802) 1.877 7.630 ( 0.410 2.438 0.375) 2.500 7.653 ( -0.996 2.014 -0.757) 2.371 7.685 ( -2.246 -2.187 -0.311) 3.150 7.690 ( -0.793 -0.828 -0.540) 1.267 7.899 ( 2.749 1.993 -5.548) 6.504 7.928 ( 4.949 -1.618 -2.465) 5.761 8.002 ( -1.429 0.900 1.077) 2.003 8.051 ( -0.610 -3.808 0.018) 3.856 8.234 ( -1.437 0.367 4.452) 4.692 8.259 ( -2.011 -2.520 3.885) 5.048 8.498 ( 2.246 1.929 -0.591) 3.019 8.543 ( 2.246 -1.748 -1.441) 3.191 8.588 ( -1.939 2.083 -1.669) 3.300 8.650 ( -2.845 -3.764 -2.411) 5.298 8.808 ( -0.133 0.854 1.771) 1.971 8.828 ( 0.127 -0.272 1.371) 1.403 8.950 ( -0.100 -0.246 0.998) 1.033 8.989 ( -0.264 -3.886 -1.052) 4.034 9.227 ( 0.545 0.536 -0.119) 0.773 9.241 ( 0.070 -0.893 -0.187) 0.915 9.532 ( -0.121 2.221 0.490) 2.278 9.580 ( 0.183 -2.694 -0.399) 2.730 10.063 ( -0.599 3.434 -0.045) 3.486 10.138 ( -0.506 -4.223 0.029) 4.254 ======================= Grid point 98 (55/56) ======================= q-point: (-0.40 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -0.087 3.747 -0.156) 3.751 1.643 ( 0.816 1.634 -0.998) 2.081 1.729 ( 0.105 4.153 0.606) 4.199 1.826 ( -0.029 -5.072 0.684) 5.118 1.989 ( 0.275 2.346 0.529) 2.421 2.027 ( -0.063 -1.399 -1.446) 2.013 2.128 ( 0.706 4.953 0.039) 5.003 2.193 ( -0.279 -1.341 0.172) 1.381 2.263 ( -0.100 4.208 1.431) 4.446 2.296 ( -0.701 1.805 0.097) 1.939 2.319 ( 1.447 4.323 0.380) 4.575 2.346 ( -0.430 2.869 -1.453) 3.244 2.410 ( -0.583 2.590 -0.031) 2.655 2.422 ( -1.212 1.799 -1.089) 2.427 2.483 ( 0.766 -0.182 3.008) 3.110 2.576 ( 2.113 -2.488 -2.953) 4.402 2.584 ( 2.585 -1.392 4.066) 5.015 2.599 ( -0.896 4.115 -2.060) 4.688 2.690 ( -0.255 4.992 -0.716) 5.050 2.714 ( -0.280 -0.067 -0.592) 0.658 2.762 ( 3.483 -3.311 -0.104) 4.807 2.871 ( -1.138 -11.259 0.390) 11.323 2.924 ( 1.828 1.853 -0.494) 2.650 3.026 ( 1.390 -8.853 -0.821) 8.999 3.522 ( -0.225 2.984 1.408) 3.308 3.546 ( 2.073 0.471 2.158) 3.029 3.711 ( -4.559 1.873 -1.527) 5.160 3.722 ( -3.690 0.818 -0.606) 3.828 3.920 ( -1.755 2.974 2.893) 4.505 3.932 ( -1.452 1.565 2.663) 3.413 4.128 ( 1.383 5.261 -3.091) 6.257 4.148 ( 4.497 3.471 -5.611) 7.985 4.178 ( -3.941 2.666 -1.392) 4.958 4.186 ( -4.464 0.669 1.981) 4.929 4.352 ( 4.827 4.335 0.982) 6.561 4.377 ( 6.243 1.662 0.466) 6.478 4.646 ( -1.343 3.958 0.249) 4.187 4.673 ( -1.617 1.111 0.604) 2.052 5.143 ( -0.198 1.222 0.016) 1.238 5.155 ( -0.373 0.040 0.113) 0.392 5.732 ( -0.167 2.716 1.215) 2.980 5.762 ( -1.217 -0.281 -1.223) 1.748 5.810 ( -3.456 4.728 -0.008) 5.856 5.897 ( -2.030 -2.049 -0.102) 2.887 6.003 ( 0.292 -1.118 0.356) 1.209 6.017 ( 1.123 -2.494 0.771) 2.842 6.265 ( -3.626 1.947 -0.119) 4.118 6.303 ( -3.491 -1.890 0.044) 3.970 6.432 ( -0.406 3.683 -0.628) 3.758 6.490 ( 1.114 -1.240 -1.149) 2.025 6.530 ( 1.872 2.393 -0.432) 3.069 6.623 ( 1.261 -4.826 -0.812) 5.054 6.679 ( -0.151 0.548 0.022) 0.569 6.698 ( 0.014 -1.590 0.681) 1.730 6.841 ( 0.885 0.344 0.630) 1.140 6.859 ( 1.576 -1.428 0.928) 2.321 6.994 ( 2.067 6.687 2.035) 7.289 7.084 ( -0.240 1.166 -0.046) 1.191 7.148 ( 0.077 -0.915 -0.205) 0.941 7.152 ( 3.349 -0.420 -0.910) 3.496 7.300 ( -1.840 0.853 -0.070) 2.029 7.309 ( -0.135 0.702 -0.650) 0.966 7.362 ( -1.953 -1.047 1.996) 2.983 7.378 ( -1.466 -2.264 0.454) 2.735 7.516 ( 1.417 2.059 -1.397) 2.864 7.555 ( 0.488 -0.963 0.677) 1.274 7.615 ( -1.226 2.452 1.559) 3.154 7.652 ( -0.380 -0.877 -0.769) 1.227 7.679 ( 2.981 0.272 -1.324) 3.273 7.692 ( 1.262 -1.133 0.287) 1.720 7.858 ( -4.389 3.711 -1.293) 5.891 7.941 ( -2.934 -4.330 -4.460) 6.874 8.042 ( 2.537 -0.530 -1.172) 2.845 8.049 ( 1.466 -1.325 -1.038) 2.231 8.219 ( -0.596 1.522 5.762) 5.989 8.266 ( 1.108 -3.548 3.638) 5.201 8.505 ( -2.021 2.701 -0.920) 3.497 8.542 ( -0.543 0.121 -1.467) 1.569 8.604 ( 0.983 -1.248 -2.997) 3.392 8.628 ( 3.484 -3.226 -0.703) 4.800 8.795 ( -1.383 2.425 2.342) 3.643 8.838 ( 0.259 -1.495 0.954) 1.792 8.960 ( 0.636 -1.059 0.890) 1.523 8.985 ( 0.267 -3.302 -1.271) 3.549 9.227 ( -0.596 0.346 -0.218) 0.723 9.233 ( -0.593 -0.536 0.354) 0.874 9.532 ( 0.034 2.227 0.421) 2.267 9.582 ( 0.090 -2.742 -0.481) 2.785 10.063 ( 0.606 3.447 -0.040) 3.500 10.138 ( 0.514 -4.236 0.018) 4.267 ======================= Grid point 99 (56/56) ======================= q-point: (-0.20 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.029 4.956 -0.234) 4.962 1.668 ( 1.867 0.661 -1.044) 2.239 1.735 ( 0.208 3.158 0.551) 3.212 1.816 ( -1.109 -4.996 0.259) 5.124 2.005 ( 1.238 1.694 -0.297) 2.119 2.031 ( 0.645 -1.214 -0.166) 1.385 2.152 ( 1.110 4.264 1.353) 4.610 2.200 ( 1.105 -0.591 -0.551) 1.368 2.254 ( -0.434 4.308 0.282) 4.339 2.288 ( -0.848 2.007 0.656) 2.276 2.317 ( -1.961 2.019 0.375) 2.840 2.344 ( 0.493 -0.338 0.018) 0.597 2.377 ( -1.581 1.916 -1.093) 2.714 2.405 ( -0.377 -0.375 -0.494) 0.725 2.494 ( 0.033 3.689 0.115) 3.691 2.572 ( -0.937 2.469 1.183) 2.894 2.644 ( 3.905 -4.863 -2.471) 6.708 2.661 ( 1.979 5.424 -0.591) 5.804 2.666 ( 1.028 -1.367 0.757) 1.870 2.752 ( 2.246 -0.999 0.168) 2.464 2.818 ( -0.043 -4.007 0.416) 4.029 2.836 ( -0.268 -6.928 -0.705) 6.969 3.004 ( 5.529 1.940 0.910) 5.930 3.078 ( 3.229 -5.316 0.280) 6.227 3.527 ( 1.111 4.823 -2.533) 5.559 3.580 ( 1.564 -0.069 1.573) 2.219 3.607 ( -4.425 2.197 -1.777) 5.250 3.641 ( -3.508 -0.919 1.764) 4.033 3.854 ( -6.431 2.703 1.330) 7.102 3.890 ( -4.395 -0.829 1.557) 4.736 4.050 ( -3.313 8.309 6.053) 10.800 4.124 ( -1.077 0.672 5.076) 5.232 4.213 ( 4.037 5.383 -8.449) 10.802 4.243 ( 5.203 2.118 -7.193) 9.127 4.443 ( 2.891 4.499 -0.032) 5.348 4.481 ( 3.014 0.753 -1.254) 3.350 4.616 ( -1.050 3.775 1.691) 4.267 4.635 ( -1.639 1.903 2.043) 3.237 5.138 ( -0.212 0.731 0.064) 0.763 5.145 ( -0.529 0.068 0.124) 0.547 5.697 ( -4.003 3.332 0.188) 5.211 5.733 ( -2.320 5.003 1.155) 5.634 5.734 ( -1.092 -0.456 -1.480) 1.895 5.834 ( -3.102 -4.015 -0.236) 5.079 6.021 ( 0.817 -0.352 0.636) 1.094 6.036 ( 0.313 -1.351 1.433) 1.995 6.173 ( -4.165 2.502 -0.489) 4.883 6.226 ( -3.087 -2.873 -0.083) 4.218 6.432 ( 0.657 2.049 -1.604) 2.684 6.486 ( -0.810 -3.415 -2.148) 4.115 6.572 ( 1.812 3.204 1.081) 3.836 6.629 ( -0.776 -1.818 1.748) 2.639 6.681 ( -0.165 2.329 0.362) 2.363 6.721 ( 2.201 -1.418 -0.020) 2.618 6.879 ( 2.414 0.319 -1.246) 2.736 6.907 ( 2.870 -2.293 0.798) 3.760 7.044 ( 1.030 4.676 2.015) 5.195 7.102 ( 0.875 -0.732 -0.879) 1.440 7.110 ( -1.815 6.863 -0.900) 7.156 7.238 ( -0.647 -5.072 -0.616) 5.151 7.276 ( 1.947 1.176 0.438) 2.316 7.314 ( -1.930 -1.581 1.750) 3.047 7.330 ( 4.070 0.314 -0.388) 4.101 7.361 ( 0.237 -1.582 0.794) 1.786 7.523 ( -1.239 2.755 0.876) 3.145 7.541 ( -0.682 1.167 0.654) 1.502 7.614 ( -0.872 -0.633 0.417) 1.155 7.625 ( -2.266 -1.891 -1.001) 3.116 7.707 ( -1.093 -0.258 -1.103) 1.574 7.712 ( -0.405 -0.941 -2.432) 2.639 7.815 ( 1.477 2.472 1.118) 3.089 7.879 ( 0.154 -4.056 -1.805) 4.442 8.048 ( -0.248 1.667 -0.782) 1.858 8.081 ( 0.651 -1.843 -0.140) 1.959 8.240 ( 0.924 2.847 2.145) 3.682 8.308 ( 1.869 -4.117 0.704) 4.576 8.456 ( -2.226 1.765 -0.919) 2.986 8.489 ( -2.951 -1.284 -1.336) 3.484 8.658 ( 3.315 0.799 -0.523) 3.449 8.692 ( 2.711 -2.478 -0.241) 3.681 8.776 ( -1.103 2.670 1.901) 3.458 8.836 ( -0.970 -3.487 0.998) 3.754 8.979 ( 1.237 -1.091 -0.676) 1.783 8.991 ( 0.518 -2.268 -0.852) 2.477 9.209 ( -0.885 0.446 0.208) 1.012 9.223 ( -0.555 -0.971 0.696) 1.317 9.535 ( 0.125 2.062 0.474) 2.120 9.581 ( -0.027 -2.530 -0.473) 2.574 10.080 ( 0.943 3.272 -0.071) 3.406 10.153 ( 0.784 -4.126 -0.009) 4.200 =================== 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 3/17550 10.0 206.305 421.064 288.396 0.000 -16.987 0.000 3/17550 20.0 47.940 107.831 57.575 0.000 -3.279 0.000 3/17550 30.0 23.940 57.253 26.570 0.000 -1.465 0.000 3/17550 40.0 15.283 37.705 16.376 0.000 -0.902 0.000 3/17550 50.0 10.902 27.325 11.499 0.000 -0.642 0.000 3/17550 60.0 8.296 20.975 8.687 0.000 -0.491 0.000 3/17550 70.0 6.606 16.786 6.893 0.000 -0.393 0.000 3/17550 80.0 5.445 13.876 5.669 0.000 -0.324 0.000 3/17550 90.0 4.612 11.773 4.795 0.000 -0.275 0.000 3/17550 100.0 3.992 10.200 4.146 0.000 -0.238 0.000 3/17550 110.0 3.515 8.989 3.648 0.000 -0.209 0.000 3/17550 120.0 3.140 8.031 3.256 0.000 -0.187 0.000 3/17550 130.0 2.837 7.259 2.940 0.000 -0.168 0.000 3/17550 140.0 2.588 6.623 2.681 0.000 -0.153 0.000 3/17550 150.0 2.380 6.091 2.464 0.000 -0.141 0.000 3/17550 160.0 2.203 5.640 2.280 0.000 -0.130 0.000 3/17550 170.0 2.052 5.252 2.123 0.000 -0.121 0.000 3/17550 180.0 1.921 4.916 1.986 0.000 -0.113 0.000 3/17550 190.0 1.805 4.621 1.867 0.000 -0.107 0.000 3/17550 200.0 1.704 4.361 1.761 0.000 -0.101 0.000 3/17550 210.0 1.613 4.129 1.667 0.000 -0.095 0.000 3/17550 220.0 1.532 3.921 1.583 0.000 -0.090 0.000 3/17550 230.0 1.459 3.734 1.507 0.000 -0.086 0.000 3/17550 240.0 1.392 3.564 1.438 0.000 -0.082 0.000 3/17550 250.0 1.332 3.410 1.375 0.000 -0.078 0.000 3/17550 260.0 1.277 3.268 1.318 0.000 -0.075 0.000 3/17550 270.0 1.226 3.138 1.266 0.000 -0.072 0.000 3/17550 280.0 1.179 3.019 1.217 0.000 -0.069 0.000 3/17550 290.0 1.136 2.908 1.172 0.000 -0.067 0.000 3/17550 300.0 1.096 2.805 1.131 0.000 -0.064 0.000 3/17550 310.0 1.058 2.710 1.092 0.000 -0.062 0.000 3/17550 320.0 1.024 2.621 1.056 0.000 -0.060 0.000 3/17550 330.0 0.991 2.537 1.023 0.000 -0.058 0.000 3/17550 340.0 0.961 2.459 0.991 0.000 -0.056 0.000 3/17550 350.0 0.932 2.386 0.961 0.000 -0.055 0.000 3/17550 360.0 0.905 2.317 0.934 0.000 -0.053 0.000 3/17550 370.0 0.880 2.252 0.907 0.000 -0.052 0.000 3/17550 380.0 0.856 2.190 0.883 0.000 -0.050 0.000 3/17550 390.0 0.833 2.132 0.859 0.000 -0.049 0.000 3/17550 400.0 0.811 2.077 0.837 0.000 -0.048 0.000 3/17550 410.0 0.791 2.025 0.816 0.000 -0.046 0.000 3/17550 420.0 0.771 1.975 0.796 0.000 -0.045 0.000 3/17550 430.0 0.753 1.928 0.777 0.000 -0.044 0.000 3/17550 440.0 0.735 1.883 0.758 0.000 -0.043 0.000 3/17550 450.0 0.719 1.840 0.741 0.000 -0.042 0.000 3/17550 460.0 0.703 1.799 0.725 0.000 -0.041 0.000 3/17550 470.0 0.687 1.759 0.709 0.000 -0.040 0.000 3/17550 480.0 0.673 1.722 0.694 0.000 -0.039 0.000 3/17550 490.0 0.659 1.686 0.679 0.000 -0.039 0.000 3/17550 500.0 0.645 1.652 0.665 0.000 -0.038 0.000 3/17550 510.0 0.632 1.619 0.652 0.000 -0.037 0.000 3/17550 520.0 0.620 1.587 0.639 0.000 -0.036 0.000 3/17550 530.0 0.608 1.556 0.627 0.000 -0.036 0.000 3/17550 540.0 0.596 1.527 0.615 0.000 -0.035 0.000 3/17550 550.0 0.585 1.499 0.604 0.000 -0.034 0.000 3/17550 560.0 0.575 1.471 0.593 0.000 -0.034 0.000 3/17550 570.0 0.565 1.445 0.582 0.000 -0.033 0.000 3/17550 580.0 0.555 1.420 0.572 0.000 -0.033 0.000 3/17550 590.0 0.545 1.395 0.562 0.000 -0.032 0.000 3/17550 600.0 0.536 1.372 0.552 0.000 -0.031 0.000 3/17550 610.0 0.527 1.349 0.543 0.000 -0.031 0.000 3/17550 620.0 0.518 1.327 0.534 0.000 -0.030 0.000 3/17550 630.0 0.510 1.306 0.526 0.000 -0.030 0.000 3/17550 640.0 0.502 1.285 0.517 0.000 -0.029 0.000 3/17550 650.0 0.494 1.265 0.509 0.000 -0.029 0.000 3/17550 660.0 0.487 1.246 0.502 0.000 -0.029 0.000 3/17550 670.0 0.479 1.227 0.494 0.000 -0.028 0.000 3/17550 680.0 0.472 1.209 0.487 0.000 -0.028 0.000 3/17550 690.0 0.465 1.191 0.479 0.000 -0.027 0.000 3/17550 700.0 0.458 1.174 0.473 0.000 -0.027 0.000 3/17550 710.0 0.452 1.157 0.466 0.000 -0.026 0.000 3/17550 720.0 0.446 1.141 0.459 0.000 -0.026 0.000 3/17550 730.0 0.439 1.125 0.453 0.000 -0.026 0.000 3/17550 740.0 0.433 1.110 0.447 0.000 -0.025 0.000 3/17550 750.0 0.428 1.095 0.441 0.000 -0.025 0.000 3/17550 760.0 0.422 1.080 0.435 0.000 -0.025 0.000 3/17550 770.0 0.416 1.066 0.429 0.000 -0.024 0.000 3/17550 780.0 0.411 1.052 0.424 0.000 -0.024 0.000 3/17550 790.0 0.406 1.039 0.418 0.000 -0.024 0.000 3/17550 800.0 0.401 1.026 0.413 0.000 -0.023 0.000 3/17550 810.0 0.396 1.013 0.408 0.000 -0.023 0.000 3/17550 820.0 0.391 1.000 0.403 0.000 -0.023 0.000 3/17550 830.0 0.386 0.988 0.398 0.000 -0.023 0.000 3/17550 840.0 0.381 0.976 0.393 0.000 -0.022 0.000 3/17550 850.0 0.377 0.965 0.388 0.000 -0.022 0.000 3/17550 860.0 0.372 0.954 0.384 0.000 -0.022 0.000 3/17550 870.0 0.368 0.943 0.379 0.000 -0.022 0.000 3/17550 880.0 0.364 0.932 0.375 0.000 -0.021 0.000 3/17550 890.0 0.360 0.921 0.371 0.000 -0.021 0.000 3/17550 900.0 0.356 0.911 0.367 0.000 -0.021 0.000 3/17550 910.0 0.352 0.901 0.363 0.000 -0.021 0.000 3/17550 920.0 0.348 0.891 0.359 0.000 -0.020 0.000 3/17550 930.0 0.344 0.881 0.355 0.000 -0.020 0.000 3/17550 940.0 0.341 0.872 0.351 0.000 -0.020 0.000 3/17550 950.0 0.337 0.863 0.347 0.000 -0.020 0.000 3/17550 960.0 0.333 0.854 0.344 0.000 -0.020 0.000 3/17550 970.0 0.330 0.845 0.340 0.000 -0.019 0.000 3/17550 980.0 0.327 0.836 0.337 0.000 -0.019 0.000 3/17550 990.0 0.323 0.828 0.333 0.000 -0.019 0.000 3/17550 1000.0 0.320 0.819 0.330 0.000 -0.019 0.000 3/17550 Thermal conductivity related properties were written into "kappa-m5133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:44:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|