----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:53:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mnc (128) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.548364380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.548364380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.239035960000001 Atomic positions (fractional): *1 H 0.55692665872292 0.81960887199841 0.11822763813734 1.008 2 H 0.44307334127708 0.18039112800159 0.11822763813734 1.008 3 H 0.31960887199841 0.05692665872292 0.38177236186266 1.008 4 H 0.81960887199841 0.44307334127708 0.11822763813734 1.008 5 H 0.18039112800159 0.55692665872292 0.11822763813734 1.008 6 H 0.94307334127708 0.31960887199841 0.38177236186266 1.008 7 H 0.05692665872292 0.68039112800159 0.38177236186266 1.008 8 H 0.68039112800159 0.94307334127708 0.38177236186266 1.008 9 H 0.44307334127708 0.18039112800159 0.88177236186266 1.008 10 H 0.55692665872292 0.81960887199841 0.88177236186266 1.008 11 H 0.68039112800159 0.94307334127708 0.61822763813734 1.008 12 H 0.18039112800159 0.55692665872292 0.88177236186266 1.008 13 H 0.81960887199841 0.44307334127708 0.88177236186266 1.008 14 H 0.05692665872292 0.68039112800159 0.61822763813734 1.008 15 H 0.94307334127708 0.31960887199841 0.61822763813734 1.008 16 H 0.31960887199841 0.05692665872292 0.61822763813734 1.008 *17 H 0.00000000000000 0.00000000000000 0.17165224329405 1.008 18 H 0.50000000000000 0.50000000000000 0.32834775670595 1.008 19 H 0.00000000000000 0.00000000000000 0.82834775670595 1.008 20 H 0.50000000000000 0.50000000000000 0.67165224329405 1.008 *21 H 0.75197081441508 0.09566629179354 0.00000000000000 1.008 22 H 0.90433370820645 0.75197081441508 0.00000000000000 1.008 23 H 0.09566629179354 0.24802918558492 0.00000000000000 1.008 24 H 0.25197081441508 0.40433370820645 0.50000000000000 1.008 25 H 0.74802918558492 0.59566629179355 0.50000000000000 1.008 26 H 0.24802918558492 0.90433370820645 0.00000000000000 1.008 27 H 0.59566629179355 0.25197081441508 0.50000000000000 1.008 28 H 0.40433370820645 0.74802918558492 0.50000000000000 1.008 *29 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 30 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *31 Na 0.29703877017999 0.79703877017999 0.25000000000000 22.990 32 Na 0.20296122982001 0.29703877017999 0.25000000000000 22.990 33 Na 0.79703877017999 0.70296122982001 0.25000000000000 22.990 34 Na 0.70296122982001 0.20296122982001 0.25000000000000 22.990 35 Na 0.29703877017999 0.79703877017999 0.75000000000000 22.990 36 Na 0.20296122982001 0.29703877017999 0.75000000000000 22.990 37 Na 0.79703877017999 0.70296122982001 0.75000000000000 22.990 38 Na 0.70296122982001 0.20296122982001 0.75000000000000 22.990 *39 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 *41 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 42 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 43 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 44 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.548364380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.548364380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.239035960000001 Atomic positions (fractional): *1 H 0.55692665872292 0.81960887199841 0.11822763813734 1.008 > 1 2 H 0.44307334127708 0.18039112800159 0.11822763813734 1.008 > 2 3 H 0.31960887199841 0.05692665872292 0.38177236186266 1.008 > 3 4 H 0.81960887199841 0.44307334127708 0.11822763813734 1.008 > 4 5 H 0.18039112800159 0.55692665872292 0.11822763813734 1.008 > 5 6 H 0.94307334127708 0.31960887199841 0.38177236186266 1.008 > 6 7 H 0.05692665872292 0.68039112800159 0.38177236186266 1.008 > 7 8 H 0.68039112800159 0.94307334127708 0.38177236186266 1.008 > 8 9 H 0.44307334127708 0.18039112800159 0.88177236186266 1.008 > 9 10 H 0.55692665872292 0.81960887199841 0.88177236186266 1.008 > 10 11 H 0.68039112800159 0.94307334127708 0.61822763813734 1.008 > 11 12 H 0.18039112800159 0.55692665872292 0.88177236186266 1.008 > 12 13 H 0.81960887199841 0.44307334127708 0.88177236186266 1.008 > 13 14 H 0.05692665872292 0.68039112800159 0.61822763813734 1.008 > 14 15 H 0.94307334127708 0.31960887199841 0.61822763813734 1.008 > 15 16 H 0.31960887199841 0.05692665872292 0.61822763813734 1.008 > 16 *17 H 0.00000000000000 0.00000000000000 0.17165224329405 1.008 > 17 18 H 0.50000000000000 0.50000000000000 0.32834775670595 1.008 > 18 19 H 0.00000000000000 0.00000000000000 0.82834775670595 1.008 > 19 20 H 0.50000000000000 0.50000000000000 0.67165224329405 1.008 > 20 *21 H 0.75197081441508 0.09566629179354 0.00000000000000 1.008 > 21 22 H 0.90433370820645 0.75197081441508 0.00000000000000 1.008 > 22 23 H 0.09566629179354 0.24802918558492 0.00000000000000 1.008 > 23 24 H 0.25197081441508 0.40433370820645 0.50000000000000 1.008 > 24 25 H 0.74802918558492 0.59566629179355 0.50000000000000 1.008 > 25 26 H 0.24802918558492 0.90433370820645 0.00000000000000 1.008 > 26 27 H 0.59566629179355 0.25197081441508 0.50000000000000 1.008 > 27 28 H 0.40433370820645 0.74802918558492 0.50000000000000 1.008 > 28 *29 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 29 30 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 30 *31 Na 0.29703877017999 0.79703877017999 0.25000000000000 22.990 > 31 32 Na 0.20296122982001 0.29703877017999 0.25000000000000 22.990 > 32 33 Na 0.79703877017999 0.70296122982001 0.25000000000000 22.990 > 33 34 Na 0.70296122982001 0.20296122982001 0.25000000000000 22.990 > 34 35 Na 0.29703877017999 0.79703877017999 0.75000000000000 22.990 > 35 36 Na 0.20296122982001 0.29703877017999 0.75000000000000 22.990 > 36 37 Na 0.79703877017999 0.70296122982001 0.75000000000000 22.990 > 37 38 Na 0.70296122982001 0.20296122982001 0.75000000000000 22.990 > 38 *39 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 39 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 40 *41 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 41 42 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 42 43 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 43 44 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.548364380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.548364380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.239035960000001 Atomic positions (fractional): *1 H 0.55692665872292 0.81960887199841 0.11822763813734 1.008 > 1 2 H 0.44307334127708 0.18039112800159 0.11822763813734 1.008 > 2 3 H 0.31960887199841 0.05692665872292 0.38177236186266 1.008 > 3 4 H 0.81960887199841 0.44307334127708 0.11822763813734 1.008 > 4 5 H 0.18039112800159 0.55692665872292 0.11822763813734 1.008 > 5 6 H 0.94307334127708 0.31960887199841 0.38177236186266 1.008 > 6 7 H 0.05692665872292 0.68039112800159 0.38177236186266 1.008 > 7 8 H 0.68039112800159 0.94307334127708 0.38177236186266 1.008 > 8 9 H 0.44307334127708 0.18039112800159 0.88177236186266 1.008 > 9 10 H 0.55692665872292 0.81960887199841 0.88177236186266 1.008 > 10 11 H 0.68039112800159 0.94307334127708 0.61822763813734 1.008 > 11 12 H 0.18039112800159 0.55692665872292 0.88177236186266 1.008 > 12 13 H 0.81960887199841 0.44307334127708 0.88177236186266 1.008 > 13 14 H 0.05692665872292 0.68039112800159 0.61822763813734 1.008 > 14 15 H 0.94307334127708 0.31960887199841 0.61822763813734 1.008 > 15 16 H 0.31960887199841 0.05692665872292 0.61822763813734 1.008 > 16 *17 H 0.00000000000000 0.00000000000000 0.17165224329405 1.008 > 17 18 H 0.50000000000000 0.50000000000000 0.32834775670595 1.008 > 18 19 H 0.00000000000000 0.00000000000000 0.82834775670595 1.008 > 19 20 H 0.50000000000000 0.50000000000000 0.67165224329405 1.008 > 20 *21 H 0.75197081441508 0.09566629179354 0.00000000000000 1.008 > 21 22 H 0.90433370820645 0.75197081441508 0.00000000000000 1.008 > 22 23 H 0.09566629179354 0.24802918558492 0.00000000000000 1.008 > 23 24 H 0.25197081441508 0.40433370820645 0.50000000000000 1.008 > 24 25 H 0.74802918558492 0.59566629179355 0.50000000000000 1.008 > 25 26 H 0.24802918558492 0.90433370820645 0.00000000000000 1.008 > 26 27 H 0.59566629179355 0.25197081441508 0.50000000000000 1.008 > 27 28 H 0.40433370820645 0.74802918558492 0.50000000000000 1.008 > 28 *29 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 29 30 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 30 *31 Na 0.29703877017999 0.79703877017999 0.25000000000000 22.990 > 31 32 Na 0.20296122982001 0.29703877017999 0.25000000000000 22.990 > 32 33 Na 0.79703877017999 0.70296122982001 0.25000000000000 22.990 > 33 34 Na 0.70296122982001 0.20296122982001 0.25000000000000 22.990 > 34 35 Na 0.29703877017999 0.79703877017999 0.75000000000000 22.990 > 35 36 Na 0.20296122982001 0.29703877017999 0.75000000000000 22.990 > 36 37 Na 0.79703877017999 0.70296122982001 0.75000000000000 22.990 > 37 38 Na 0.70296122982001 0.20296122982001 0.75000000000000 22.990 > 38 *39 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 39 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 40 *41 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 41 42 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 42 43 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 43 44 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9231125 0.0000000 0.0000000 0.0000000 3.9231125 0.0000000 0.0000000 0.0000000 3.7712975 -------------------------- Born effective charges -------------------------- 1 H -0.7762537 0.0370536 -0.0622998 0.0533646 -0.8588587 0.1880134 -0.0655606 0.2077152 -0.8854634 2 H -0.7762537 0.0370536 0.0622998 0.0533646 -0.8588587 -0.1880134 0.0655606 -0.2077152 -0.8854634 3 H -0.8588587 0.0533646 -0.1880134 0.0370536 -0.7762537 0.0622998 -0.2077152 0.0655606 -0.8854634 4 H -0.8588587 -0.0533646 0.1880134 -0.0370536 -0.7762537 0.0622998 0.2077152 0.0655606 -0.8854634 5 H -0.8588587 -0.0533646 -0.1880134 -0.0370536 -0.7762537 -0.0622998 -0.2077152 -0.0655606 -0.8854634 6 H -0.7762537 -0.0370536 -0.0622998 -0.0533646 -0.8588587 -0.1880134 -0.0655606 -0.2077152 -0.8854634 7 H -0.7762537 -0.0370536 0.0622998 -0.0533646 -0.8588587 0.1880134 0.0655606 0.2077152 -0.8854634 8 H -0.8588587 0.0533646 0.1880134 0.0370536 -0.7762537 -0.0622998 0.2077152 -0.0655606 -0.8854634 9 H -0.7762537 0.0370536 -0.0622998 0.0533646 -0.8588587 0.1880134 -0.0655606 0.2077152 -0.8854634 10 H -0.7762537 0.0370536 0.0622998 0.0533646 -0.8588587 -0.1880134 0.0655606 -0.2077152 -0.8854634 11 H -0.8588587 0.0533646 -0.1880134 0.0370536 -0.7762537 0.0622998 -0.2077152 0.0655606 -0.8854634 12 H -0.8588587 -0.0533646 0.1880134 -0.0370536 -0.7762537 0.0622998 0.2077152 0.0655606 -0.8854634 13 H -0.8588587 -0.0533646 -0.1880134 -0.0370536 -0.7762537 -0.0622998 -0.2077152 -0.0655606 -0.8854634 14 H -0.7762537 -0.0370536 -0.0622998 -0.0533646 -0.8588587 -0.1880134 -0.0655606 -0.2077152 -0.8854634 15 H -0.7762537 -0.0370536 0.0622998 -0.0533646 -0.8588587 0.1880134 0.0655606 0.2077152 -0.8854634 16 H -0.8588587 0.0533646 0.1880134 0.0370536 -0.7762537 -0.0622998 0.2077152 -0.0655606 -0.8854634 17 H -0.7729627 0.0188563 0.0000000 -0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 18 H -0.7729627 -0.0188563 0.0000000 0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 19 H -0.7729627 0.0188563 0.0000000 -0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 20 H -0.7729627 -0.0188563 0.0000000 0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 21 H -1.4913633 -0.0009872 0.0000000 -0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 22 H -0.6116841 0.0002763 0.0000000 0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 23 H -0.6116841 0.0002763 0.0000000 0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 24 H -1.4913633 0.0009872 0.0000000 0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 25 H -1.4913633 0.0009872 0.0000000 0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 26 H -1.4913633 -0.0009872 0.0000000 -0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 27 H -0.6116841 -0.0002763 0.0000000 -0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 28 H -0.6116841 -0.0002763 0.0000000 -0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 29 Na 1.2953714 0.0616827 0.0000000 -0.0616827 1.2953714 0.0000000 0.0000000 0.0000000 0.8748143 30 Na 1.2953714 -0.0616827 0.0000000 0.0616827 1.2953714 0.0000000 0.0000000 0.0000000 0.8748143 31 Na 0.9730847 0.0757747 0.1340829 0.0757747 0.9730847 -0.1340829 0.0999395 -0.0999395 1.1940358 32 Na 0.9730847 -0.0757747 0.1340829 -0.0757747 0.9730847 0.1340829 0.0999395 0.0999395 1.1940358 33 Na 0.9730847 -0.0757747 -0.1340829 -0.0757747 0.9730847 -0.1340829 -0.0999395 -0.0999395 1.1940358 34 Na 0.9730847 0.0757747 -0.1340829 0.0757747 0.9730847 0.1340829 -0.0999395 0.0999395 1.1940358 35 Na 0.9730847 0.0757747 -0.1340829 0.0757747 0.9730847 0.1340829 -0.0999395 0.0999395 1.1940358 36 Na 0.9730847 -0.0757747 -0.1340829 -0.0757747 0.9730847 -0.1340829 -0.0999395 -0.0999395 1.1940358 37 Na 0.9730847 -0.0757747 0.1340829 -0.0757747 0.9730847 0.1340829 0.0999395 0.0999395 1.1940358 38 Na 0.9730847 0.0757747 0.1340829 0.0757747 0.9730847 -0.1340829 0.0999395 -0.0999395 1.1940358 39 Al 2.5378153 -0.3898188 0.0000000 0.3898188 2.5378153 0.0000000 0.0000000 0.0000000 2.1426072 40 Al 2.5378153 0.3898188 0.0000000 -0.3898188 2.5378153 0.0000000 0.0000000 0.0000000 2.1426072 41 Al 1.8166078 0.1704239 0.0000000 -0.2674054 2.7503365 0.0000000 0.0000000 0.0000000 1.9012000 42 Al 2.7503365 0.2674054 0.0000000 -0.1704239 1.8166078 0.0000000 0.0000000 0.0000000 1.9012000 43 Al 1.8166078 -0.1704239 0.0000000 0.2674054 2.7503365 0.0000000 0.0000000 0.0000000 1.9012000 44 Al 2.7503365 -0.2674054 0.0000000 0.1704239 1.8166078 0.0000000 0.0000000 0.0000000 1.9012000 ---------------------------------------------------------------------------- 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: 132/132 Permutation basis: 8646/8646 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 629 Number of blocks in projector: 629 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 99 Use standard eigh solver. Tree of FC basis block matrices: - (629, 596), data: False |-- (99, 92), data: True |-- (158, 148), data: True |-- (172, 162), data: True |-- (200, 194), data: True ----- Solver_atoms: 1 -- 44 / 44 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 400 - Time: 0.149 Solver_block: 200 / 400 - Time: 0.163 Solver_block: 300 / 400 - Time: 0.163 Solver_block: 400 / 400 - Time: 0.163 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.648 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 132/132 Permutation basis: 8646/8646 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 629 Number of blocks in projector: 629 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 99 Use standard eigh solver. Tree of FC basis block matrices: - (629, 596), data: False |-- (99, 92), data: True |-- (158, 148), data: True |-- (172, 162), data: True |-- (200, 194), 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 2026-01-08 05:53:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:53:40]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mnc (128) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.548364380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.548364380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.239035960000001 Atomic positions (fractional): 1 H 0.55692665872292 0.81960887199841 0.11822763813734 1.008 2 H 0.44307334127708 0.18039112800159 0.11822763813734 1.008 3 H 0.31960887199841 0.05692665872292 0.38177236186266 1.008 4 H 0.81960887199841 0.44307334127708 0.11822763813734 1.008 5 H 0.18039112800159 0.55692665872292 0.11822763813734 1.008 6 H 0.94307334127708 0.31960887199841 0.38177236186266 1.008 7 H 0.05692665872292 0.68039112800159 0.38177236186266 1.008 8 H 0.68039112800159 0.94307334127708 0.38177236186266 1.008 9 H 0.44307334127708 0.18039112800159 0.88177236186266 1.008 10 H 0.55692665872292 0.81960887199841 0.88177236186266 1.008 11 H 0.68039112800159 0.94307334127708 0.61822763813734 1.008 12 H 0.18039112800159 0.55692665872292 0.88177236186266 1.008 13 H 0.81960887199841 0.44307334127708 0.88177236186266 1.008 14 H 0.05692665872292 0.68039112800159 0.61822763813734 1.008 15 H 0.94307334127708 0.31960887199841 0.61822763813734 1.008 16 H 0.31960887199841 0.05692665872292 0.61822763813734 1.008 17 H 0.00000000000000 0.00000000000000 0.17165224329405 1.008 18 H 0.50000000000000 0.50000000000000 0.32834775670595 1.008 19 H 0.00000000000000 0.00000000000000 0.82834775670595 1.008 20 H 0.50000000000000 0.50000000000000 0.67165224329405 1.008 21 H 0.75197081441508 0.09566629179354 0.00000000000000 1.008 22 H 0.90433370820645 0.75197081441508 0.00000000000000 1.008 23 H 0.09566629179354 0.24802918558492 0.00000000000000 1.008 24 H 0.25197081441508 0.40433370820645 0.50000000000000 1.008 25 H 0.74802918558492 0.59566629179355 0.50000000000000 1.008 26 H 0.24802918558492 0.90433370820645 0.00000000000000 1.008 27 H 0.59566629179355 0.25197081441508 0.50000000000000 1.008 28 H 0.40433370820645 0.74802918558492 0.50000000000000 1.008 29 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 30 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 31 Na 0.29703877017999 0.79703877017999 0.25000000000000 22.990 32 Na 0.20296122982001 0.29703877017999 0.25000000000000 22.990 33 Na 0.79703877017999 0.70296122982001 0.25000000000000 22.990 34 Na 0.70296122982001 0.20296122982001 0.25000000000000 22.990 35 Na 0.29703877017999 0.79703877017999 0.75000000000000 22.990 36 Na 0.20296122982001 0.29703877017999 0.75000000000000 22.990 37 Na 0.79703877017999 0.70296122982001 0.75000000000000 22.990 38 Na 0.70296122982001 0.20296122982001 0.75000000000000 22.990 39 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 41 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 42 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 43 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 44 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.548364380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.548364380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.239035960000001 Atomic positions (fractional): 1 H 0.55692665872292 0.81960887199841 0.11822763813734 1.008 > 1 2 H 0.44307334127708 0.18039112800159 0.11822763813734 1.008 > 2 3 H 0.31960887199841 0.05692665872292 0.38177236186266 1.008 > 3 4 H 0.81960887199841 0.44307334127708 0.11822763813734 1.008 > 4 5 H 0.18039112800159 0.55692665872292 0.11822763813734 1.008 > 5 6 H 0.94307334127708 0.31960887199841 0.38177236186266 1.008 > 6 7 H 0.05692665872292 0.68039112800159 0.38177236186266 1.008 > 7 8 H 0.68039112800159 0.94307334127708 0.38177236186266 1.008 > 8 9 H 0.44307334127708 0.18039112800159 0.88177236186266 1.008 > 9 10 H 0.55692665872292 0.81960887199841 0.88177236186266 1.008 > 10 11 H 0.68039112800159 0.94307334127708 0.61822763813734 1.008 > 11 12 H 0.18039112800159 0.55692665872292 0.88177236186266 1.008 > 12 13 H 0.81960887199841 0.44307334127708 0.88177236186266 1.008 > 13 14 H 0.05692665872292 0.68039112800159 0.61822763813734 1.008 > 14 15 H 0.94307334127708 0.31960887199841 0.61822763813734 1.008 > 15 16 H 0.31960887199841 0.05692665872292 0.61822763813734 1.008 > 16 17 H 0.00000000000000 0.00000000000000 0.17165224329405 1.008 > 17 18 H 0.50000000000000 0.50000000000000 0.32834775670595 1.008 > 18 19 H 0.00000000000000 0.00000000000000 0.82834775670595 1.008 > 19 20 H 0.50000000000000 0.50000000000000 0.67165224329405 1.008 > 20 21 H 0.75197081441508 0.09566629179354 0.00000000000000 1.008 > 21 22 H 0.90433370820645 0.75197081441508 0.00000000000000 1.008 > 22 23 H 0.09566629179354 0.24802918558492 0.00000000000000 1.008 > 23 24 H 0.25197081441508 0.40433370820645 0.50000000000000 1.008 > 24 25 H 0.74802918558492 0.59566629179355 0.50000000000000 1.008 > 25 26 H 0.24802918558492 0.90433370820645 0.00000000000000 1.008 > 26 27 H 0.59566629179355 0.25197081441508 0.50000000000000 1.008 > 27 28 H 0.40433370820645 0.74802918558492 0.50000000000000 1.008 > 28 29 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 29 30 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 30 31 Na 0.29703877017999 0.79703877017999 0.25000000000000 22.990 > 31 32 Na 0.20296122982001 0.29703877017999 0.25000000000000 22.990 > 32 33 Na 0.79703877017999 0.70296122982001 0.25000000000000 22.990 > 33 34 Na 0.70296122982001 0.20296122982001 0.25000000000000 22.990 > 34 35 Na 0.29703877017999 0.79703877017999 0.75000000000000 22.990 > 35 36 Na 0.20296122982001 0.29703877017999 0.75000000000000 22.990 > 36 37 Na 0.79703877017999 0.70296122982001 0.75000000000000 22.990 > 37 38 Na 0.70296122982001 0.20296122982001 0.75000000000000 22.990 > 38 39 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 39 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 40 41 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 41 42 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 42 43 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 43 44 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9231125 0.0000000 0.0000000 0.0000000 3.9231125 0.0000000 0.0000000 0.0000000 3.7712975 -------------------------- Born effective charges -------------------------- 1 H -0.7762537 0.0370536 -0.0622998 0.0533646 -0.8588587 0.1880134 -0.0655606 0.2077152 -0.8854634 2 H -0.7762537 0.0370536 0.0622998 0.0533646 -0.8588587 -0.1880134 0.0655606 -0.2077152 -0.8854634 3 H -0.8588587 0.0533646 -0.1880134 0.0370536 -0.7762537 0.0622998 -0.2077152 0.0655606 -0.8854634 4 H -0.8588587 -0.0533646 0.1880134 -0.0370536 -0.7762537 0.0622998 0.2077152 0.0655606 -0.8854634 5 H -0.8588587 -0.0533646 -0.1880134 -0.0370536 -0.7762537 -0.0622998 -0.2077152 -0.0655606 -0.8854634 6 H -0.7762537 -0.0370536 -0.0622998 -0.0533646 -0.8588587 -0.1880134 -0.0655606 -0.2077152 -0.8854634 7 H -0.7762537 -0.0370536 0.0622998 -0.0533646 -0.8588587 0.1880134 0.0655606 0.2077152 -0.8854634 8 H -0.8588587 0.0533646 0.1880134 0.0370536 -0.7762537 -0.0622998 0.2077152 -0.0655606 -0.8854634 9 H -0.7762537 0.0370536 -0.0622998 0.0533646 -0.8588587 0.1880134 -0.0655606 0.2077152 -0.8854634 10 H -0.7762537 0.0370536 0.0622998 0.0533646 -0.8588587 -0.1880134 0.0655606 -0.2077152 -0.8854634 11 H -0.8588587 0.0533646 -0.1880134 0.0370536 -0.7762537 0.0622998 -0.2077152 0.0655606 -0.8854634 12 H -0.8588587 -0.0533646 0.1880134 -0.0370536 -0.7762537 0.0622998 0.2077152 0.0655606 -0.8854634 13 H -0.8588587 -0.0533646 -0.1880134 -0.0370536 -0.7762537 -0.0622998 -0.2077152 -0.0655606 -0.8854634 14 H -0.7762537 -0.0370536 -0.0622998 -0.0533646 -0.8588587 -0.1880134 -0.0655606 -0.2077152 -0.8854634 15 H -0.7762537 -0.0370536 0.0622998 -0.0533646 -0.8588587 0.1880134 0.0655606 0.2077152 -0.8854634 16 H -0.8588587 0.0533646 0.1880134 0.0370536 -0.7762537 -0.0622998 0.2077152 -0.0655606 -0.8854634 17 H -0.7729627 0.0188563 0.0000000 -0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 18 H -0.7729627 -0.0188563 0.0000000 0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 19 H -0.7729627 0.0188563 0.0000000 -0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 20 H -0.7729627 -0.0188563 0.0000000 0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 21 H -1.4913633 -0.0009872 0.0000000 -0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 22 H -0.6116841 0.0002763 0.0000000 0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 23 H -0.6116841 0.0002763 0.0000000 0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 24 H -1.4913633 0.0009872 0.0000000 0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 25 H -1.4913633 0.0009872 0.0000000 0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 26 H -1.4913633 -0.0009872 0.0000000 -0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 27 H -0.6116841 -0.0002763 0.0000000 -0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 28 H -0.6116841 -0.0002763 0.0000000 -0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 29 Na 1.2953714 0.0616827 0.0000000 -0.0616827 1.2953714 0.0000000 0.0000000 0.0000000 0.8748143 30 Na 1.2953714 -0.0616827 0.0000000 0.0616827 1.2953714 0.0000000 0.0000000 0.0000000 0.8748143 31 Na 0.9730847 0.0757747 0.1340829 0.0757747 0.9730847 -0.1340829 0.0999395 -0.0999395 1.1940358 32 Na 0.9730847 -0.0757747 0.1340829 -0.0757747 0.9730847 0.1340829 0.0999395 0.0999395 1.1940358 33 Na 0.9730847 -0.0757747 -0.1340829 -0.0757747 0.9730847 -0.1340829 -0.0999395 -0.0999395 1.1940358 34 Na 0.9730847 0.0757747 -0.1340829 0.0757747 0.9730847 0.1340829 -0.0999395 0.0999395 1.1940358 35 Na 0.9730847 0.0757747 -0.1340829 0.0757747 0.9730847 0.1340829 -0.0999395 0.0999395 1.1940358 36 Na 0.9730847 -0.0757747 -0.1340829 -0.0757747 0.9730847 -0.1340829 -0.0999395 -0.0999395 1.1940358 37 Na 0.9730847 -0.0757747 0.1340829 -0.0757747 0.9730847 0.1340829 0.0999395 0.0999395 1.1940358 38 Na 0.9730847 0.0757747 0.1340829 0.0757747 0.9730847 -0.1340829 0.0999395 -0.0999395 1.1940358 39 Al 2.5378153 -0.3898188 0.0000000 0.3898188 2.5378153 0.0000000 0.0000000 0.0000000 2.1426072 40 Al 2.5378153 0.3898188 0.0000000 -0.3898188 2.5378153 0.0000000 0.0000000 0.0000000 2.1426072 41 Al 1.8166078 0.1704239 0.0000000 -0.2674054 2.7503365 0.0000000 0.0000000 0.0000000 1.9012000 42 Al 2.7503365 0.2674054 0.0000000 -0.1704239 1.8166078 0.0000000 0.0000000 0.0000000 1.9012000 43 Al 1.8166078 -0.1704239 0.0000000 0.2674054 2.7503365 0.0000000 0.0000000 0.0000000 1.9012000 44 Al 2.7503365 -0.2674054 0.0000000 0.1704239 1.8166078 0.0000000 0.0000000 0.0000000 1.9012000 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:53:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:53:46]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mnc (128) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.548364380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.548364380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.239035960000001 Atomic positions (fractional): 1 H 0.55692665872292 0.81960887199841 0.11822763813734 1.008 2 H 0.44307334127708 0.18039112800159 0.11822763813734 1.008 3 H 0.31960887199841 0.05692665872292 0.38177236186266 1.008 4 H 0.81960887199841 0.44307334127708 0.11822763813734 1.008 5 H 0.18039112800159 0.55692665872292 0.11822763813734 1.008 6 H 0.94307334127708 0.31960887199841 0.38177236186266 1.008 7 H 0.05692665872292 0.68039112800159 0.38177236186266 1.008 8 H 0.68039112800159 0.94307334127708 0.38177236186266 1.008 9 H 0.44307334127708 0.18039112800159 0.88177236186266 1.008 10 H 0.55692665872292 0.81960887199841 0.88177236186266 1.008 11 H 0.68039112800159 0.94307334127708 0.61822763813734 1.008 12 H 0.18039112800159 0.55692665872292 0.88177236186266 1.008 13 H 0.81960887199841 0.44307334127708 0.88177236186266 1.008 14 H 0.05692665872292 0.68039112800159 0.61822763813734 1.008 15 H 0.94307334127708 0.31960887199841 0.61822763813734 1.008 16 H 0.31960887199841 0.05692665872292 0.61822763813734 1.008 17 H 0.00000000000000 0.00000000000000 0.17165224329405 1.008 18 H 0.50000000000000 0.50000000000000 0.32834775670595 1.008 19 H 0.00000000000000 0.00000000000000 0.82834775670595 1.008 20 H 0.50000000000000 0.50000000000000 0.67165224329405 1.008 21 H 0.75197081441508 0.09566629179354 0.00000000000000 1.008 22 H 0.90433370820645 0.75197081441508 0.00000000000000 1.008 23 H 0.09566629179354 0.24802918558492 0.00000000000000 1.008 24 H 0.25197081441508 0.40433370820645 0.50000000000000 1.008 25 H 0.74802918558492 0.59566629179355 0.50000000000000 1.008 26 H 0.24802918558492 0.90433370820645 0.00000000000000 1.008 27 H 0.59566629179355 0.25197081441508 0.50000000000000 1.008 28 H 0.40433370820645 0.74802918558492 0.50000000000000 1.008 29 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 30 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 31 Na 0.29703877017999 0.79703877017999 0.25000000000000 22.990 32 Na 0.20296122982001 0.29703877017999 0.25000000000000 22.990 33 Na 0.79703877017999 0.70296122982001 0.25000000000000 22.990 34 Na 0.70296122982001 0.20296122982001 0.25000000000000 22.990 35 Na 0.29703877017999 0.79703877017999 0.75000000000000 22.990 36 Na 0.20296122982001 0.29703877017999 0.75000000000000 22.990 37 Na 0.79703877017999 0.70296122982001 0.75000000000000 22.990 38 Na 0.70296122982001 0.20296122982001 0.75000000000000 22.990 39 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 41 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 42 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 43 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 44 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.548364380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.548364380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.239035960000001 Atomic positions (fractional): 1 H 0.55692665872292 0.81960887199841 0.11822763813734 1.008 > 1 2 H 0.44307334127708 0.18039112800159 0.11822763813734 1.008 > 2 3 H 0.31960887199841 0.05692665872292 0.38177236186266 1.008 > 3 4 H 0.81960887199841 0.44307334127708 0.11822763813734 1.008 > 4 5 H 0.18039112800159 0.55692665872292 0.11822763813734 1.008 > 5 6 H 0.94307334127708 0.31960887199841 0.38177236186266 1.008 > 6 7 H 0.05692665872292 0.68039112800159 0.38177236186266 1.008 > 7 8 H 0.68039112800159 0.94307334127708 0.38177236186266 1.008 > 8 9 H 0.44307334127708 0.18039112800159 0.88177236186266 1.008 > 9 10 H 0.55692665872292 0.81960887199841 0.88177236186266 1.008 > 10 11 H 0.68039112800159 0.94307334127708 0.61822763813734 1.008 > 11 12 H 0.18039112800159 0.55692665872292 0.88177236186266 1.008 > 12 13 H 0.81960887199841 0.44307334127708 0.88177236186266 1.008 > 13 14 H 0.05692665872292 0.68039112800159 0.61822763813734 1.008 > 14 15 H 0.94307334127708 0.31960887199841 0.61822763813734 1.008 > 15 16 H 0.31960887199841 0.05692665872292 0.61822763813734 1.008 > 16 17 H 0.00000000000000 0.00000000000000 0.17165224329405 1.008 > 17 18 H 0.50000000000000 0.50000000000000 0.32834775670595 1.008 > 18 19 H 0.00000000000000 0.00000000000000 0.82834775670595 1.008 > 19 20 H 0.50000000000000 0.50000000000000 0.67165224329405 1.008 > 20 21 H 0.75197081441508 0.09566629179354 0.00000000000000 1.008 > 21 22 H 0.90433370820645 0.75197081441508 0.00000000000000 1.008 > 22 23 H 0.09566629179354 0.24802918558492 0.00000000000000 1.008 > 23 24 H 0.25197081441508 0.40433370820645 0.50000000000000 1.008 > 24 25 H 0.74802918558492 0.59566629179355 0.50000000000000 1.008 > 25 26 H 0.24802918558492 0.90433370820645 0.00000000000000 1.008 > 26 27 H 0.59566629179355 0.25197081441508 0.50000000000000 1.008 > 27 28 H 0.40433370820645 0.74802918558492 0.50000000000000 1.008 > 28 29 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 29 30 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 30 31 Na 0.29703877017999 0.79703877017999 0.25000000000000 22.990 > 31 32 Na 0.20296122982001 0.29703877017999 0.25000000000000 22.990 > 32 33 Na 0.79703877017999 0.70296122982001 0.25000000000000 22.990 > 33 34 Na 0.70296122982001 0.20296122982001 0.25000000000000 22.990 > 34 35 Na 0.29703877017999 0.79703877017999 0.75000000000000 22.990 > 35 36 Na 0.20296122982001 0.29703877017999 0.75000000000000 22.990 > 36 37 Na 0.79703877017999 0.70296122982001 0.75000000000000 22.990 > 37 38 Na 0.70296122982001 0.20296122982001 0.75000000000000 22.990 > 38 39 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 39 40 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 40 41 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 41 42 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 42 43 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 43 44 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9231125 0.0000000 0.0000000 0.0000000 3.9231125 0.0000000 0.0000000 0.0000000 3.7712975 -------------------------- Born effective charges -------------------------- 1 H -0.7762537 0.0370536 -0.0622998 0.0533646 -0.8588587 0.1880134 -0.0655606 0.2077152 -0.8854634 2 H -0.7762537 0.0370536 0.0622998 0.0533646 -0.8588587 -0.1880134 0.0655606 -0.2077152 -0.8854634 3 H -0.8588587 0.0533646 -0.1880134 0.0370536 -0.7762537 0.0622998 -0.2077152 0.0655606 -0.8854634 4 H -0.8588587 -0.0533646 0.1880134 -0.0370536 -0.7762537 0.0622998 0.2077152 0.0655606 -0.8854634 5 H -0.8588587 -0.0533646 -0.1880134 -0.0370536 -0.7762537 -0.0622998 -0.2077152 -0.0655606 -0.8854634 6 H -0.7762537 -0.0370536 -0.0622998 -0.0533646 -0.8588587 -0.1880134 -0.0655606 -0.2077152 -0.8854634 7 H -0.7762537 -0.0370536 0.0622998 -0.0533646 -0.8588587 0.1880134 0.0655606 0.2077152 -0.8854634 8 H -0.8588587 0.0533646 0.1880134 0.0370536 -0.7762537 -0.0622998 0.2077152 -0.0655606 -0.8854634 9 H -0.7762537 0.0370536 -0.0622998 0.0533646 -0.8588587 0.1880134 -0.0655606 0.2077152 -0.8854634 10 H -0.7762537 0.0370536 0.0622998 0.0533646 -0.8588587 -0.1880134 0.0655606 -0.2077152 -0.8854634 11 H -0.8588587 0.0533646 -0.1880134 0.0370536 -0.7762537 0.0622998 -0.2077152 0.0655606 -0.8854634 12 H -0.8588587 -0.0533646 0.1880134 -0.0370536 -0.7762537 0.0622998 0.2077152 0.0655606 -0.8854634 13 H -0.8588587 -0.0533646 -0.1880134 -0.0370536 -0.7762537 -0.0622998 -0.2077152 -0.0655606 -0.8854634 14 H -0.7762537 -0.0370536 -0.0622998 -0.0533646 -0.8588587 -0.1880134 -0.0655606 -0.2077152 -0.8854634 15 H -0.7762537 -0.0370536 0.0622998 -0.0533646 -0.8588587 0.1880134 0.0655606 0.2077152 -0.8854634 16 H -0.8588587 0.0533646 0.1880134 0.0370536 -0.7762537 -0.0622998 0.2077152 -0.0655606 -0.8854634 17 H -0.7729627 0.0188563 0.0000000 -0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 18 H -0.7729627 -0.0188563 0.0000000 0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 19 H -0.7729627 0.0188563 0.0000000 -0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 20 H -0.7729627 -0.0188563 0.0000000 0.0188563 -0.7729627 0.0000000 0.0000000 0.0000000 -1.1545101 21 H -1.4913633 -0.0009872 0.0000000 -0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 22 H -0.6116841 0.0002763 0.0000000 0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 23 H -0.6116841 0.0002763 0.0000000 0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 24 H -1.4913633 0.0009872 0.0000000 0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 25 H -1.4913633 0.0009872 0.0000000 0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 26 H -1.4913633 -0.0009872 0.0000000 -0.0002763 -0.6116841 0.0000000 0.0000000 0.0000000 -0.5508094 27 H -0.6116841 -0.0002763 0.0000000 -0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 28 H -0.6116841 -0.0002763 0.0000000 -0.0009872 -1.4913633 0.0000000 0.0000000 0.0000000 -0.5508094 29 Na 1.2953714 0.0616827 0.0000000 -0.0616827 1.2953714 0.0000000 0.0000000 0.0000000 0.8748143 30 Na 1.2953714 -0.0616827 0.0000000 0.0616827 1.2953714 0.0000000 0.0000000 0.0000000 0.8748143 31 Na 0.9730847 0.0757747 0.1340829 0.0757747 0.9730847 -0.1340829 0.0999395 -0.0999395 1.1940358 32 Na 0.9730847 -0.0757747 0.1340829 -0.0757747 0.9730847 0.1340829 0.0999395 0.0999395 1.1940358 33 Na 0.9730847 -0.0757747 -0.1340829 -0.0757747 0.9730847 -0.1340829 -0.0999395 -0.0999395 1.1940358 34 Na 0.9730847 0.0757747 -0.1340829 0.0757747 0.9730847 0.1340829 -0.0999395 0.0999395 1.1940358 35 Na 0.9730847 0.0757747 -0.1340829 0.0757747 0.9730847 0.1340829 -0.0999395 0.0999395 1.1940358 36 Na 0.9730847 -0.0757747 -0.1340829 -0.0757747 0.9730847 -0.1340829 -0.0999395 -0.0999395 1.1940358 37 Na 0.9730847 -0.0757747 0.1340829 -0.0757747 0.9730847 0.1340829 0.0999395 0.0999395 1.1940358 38 Na 0.9730847 0.0757747 0.1340829 0.0757747 0.9730847 -0.1340829 0.0999395 -0.0999395 1.1940358 39 Al 2.5378153 -0.3898188 0.0000000 0.3898188 2.5378153 0.0000000 0.0000000 0.0000000 2.1426072 40 Al 2.5378153 0.3898188 0.0000000 -0.3898188 2.5378153 0.0000000 0.0000000 0.0000000 2.1426072 41 Al 1.8166078 0.1704239 0.0000000 -0.2674054 2.7503365 0.0000000 0.0000000 0.0000000 1.9012000 42 Al 2.7503365 0.2674054 0.0000000 -0.1704239 1.8166078 0.0000000 0.0000000 0.0000000 1.9012000 43 Al 1.8166078 -0.1704239 0.0000000 0.2674054 2.7503365 0.0000000 0.0000000 0.0000000 1.9012000 44 Al 2.7503365 -0.2674054 0.0000000 0.1704239 1.8166078 0.0000000 0.0000000 0.0000000 1.9012000 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) 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 ... [ 8 8 5 ] 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: 0.55, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.243 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.673 ( 0.000 0.000 0.000) 0.000 8.981 ( 0.000 0.000 0.000) 0.000 8.981 ( 0.000 0.000 0.000) 0.000 9.229 ( 0.000 0.000 0.000) 0.000 9.229 ( 0.000 0.000 0.000) 0.000 9.551 ( 0.000 0.000 0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 13.398 ( 0.000 0.000 0.000) 0.000 13.398 ( 0.000 0.000 0.000) 0.000 13.628 ( 0.000 0.000 0.000) 0.000 13.628 ( 0.000 0.000 0.000) 0.000 20.351 ( 0.000 0.000 0.000) 0.000 20.526 ( 0.000 0.000 0.000) 0.000 20.526 ( 0.000 0.000 0.000) 0.000 20.615 ( 0.000 0.000 0.000) 0.000 20.806 ( 0.000 0.000 0.000) 0.000 21.037 ( 0.000 0.000 0.000) 0.000 21.121 ( 0.000 0.000 0.000) 0.000 21.209 ( 0.000 0.000 0.000) 0.000 21.209 ( 0.000 0.000 0.000) 0.000 21.275 ( 0.000 0.000 0.000) 0.000 21.690 ( 0.000 0.000 0.000) 0.000 21.765 ( 0.000 0.000 0.000) 0.000 22.132 ( 0.000 0.000 0.000) 0.000 22.567 ( 0.000 0.000 0.000) 0.000 23.181 ( 0.000 0.000 0.000) 0.000 23.213 ( 0.000 0.000 0.000) 0.000 23.213 ( 0.000 0.000 0.000) 0.000 23.669 ( 0.000 0.000 0.000) 0.000 23.669 ( 0.000 0.000 0.000) 0.000 23.994 ( 0.000 0.000 0.000) 0.000 24.070 ( 0.000 0.000 0.000) 0.000 24.070 ( 0.000 0.000 0.000) 0.000 24.426 ( 0.000 0.000 0.000) 0.000 24.426 ( 0.000 0.000 0.000) 0.000 25.714 ( 0.000 0.000 0.000) 0.000 25.911 ( 0.000 0.000 0.000) 0.000 25.911 ( 0.000 0.000 0.000) 0.000 26.013 ( 0.000 0.000 0.000) 0.000 26.013 ( 0.000 0.000 0.000) 0.000 26.226 ( 0.000 0.000 0.000) 0.000 26.527 ( 0.000 0.000 0.000) 0.000 26.764 ( 0.000 0.000 0.000) 0.000 27.207 ( 0.000 0.000 0.000) 0.000 27.372 ( 0.000 0.000 0.000) 0.000 27.372 ( 0.000 0.000 0.000) 0.000 27.898 ( 0.000 0.000 0.000) 0.000 27.898 ( 0.000 0.000 0.000) 0.000 28.016 ( 0.000 0.000 0.000) 0.000 28.313 ( 0.000 0.000 0.000) 0.000 28.831 ( 0.000 0.000 0.000) 0.000 29.383 ( 0.000 0.000 0.000) 0.000 29.679 ( 0.000 0.000 0.000) 0.000 29.760 ( 0.000 0.000 0.000) 0.000 29.760 ( 0.000 0.000 0.000) 0.000 30.269 ( 0.000 0.000 0.000) 0.000 30.269 ( 0.000 0.000 0.000) 0.000 30.311 ( 0.000 0.000 0.000) 0.000 30.441 ( 0.000 0.000 0.000) 0.000 35.902 ( 0.000 0.000 0.000) 0.000 38.131 ( 0.000 0.000 0.000) 0.000 38.428 ( 0.000 0.000 0.000) 0.000 38.447 ( 0.000 0.000 0.000) 0.000 38.447 ( 0.000 0.000 0.000) 0.000 38.539 ( 0.000 0.000 0.000) 0.000 40.038 ( 0.000 0.000 0.000) 0.000 40.038 ( 0.000 0.000 0.000) 0.000 41.578 ( 0.000 0.000 0.000) 0.000 42.394 ( 0.000 0.000 0.000) 0.000 42.432 ( 0.000 0.000 0.000) 0.000 42.432 ( 0.000 0.000 0.000) 0.000 42.622 ( 0.000 0.000 0.000) 0.000 43.154 ( 0.000 0.000 0.000) 0.000 43.353 ( 0.000 0.000 0.000) 0.000 43.418 ( 0.000 0.000 0.000) 0.000 43.418 ( 0.000 0.000 0.000) 0.000 45.678 ( 0.000 0.000 0.000) 0.000 46.434 ( 0.000 0.000 0.000) 0.000 46.482 ( 0.000 0.000 0.000) 0.000 48.738 ( 0.000 0.000 0.000) 0.000 48.738 ( 0.000 0.000 0.000) 0.000 48.742 ( 0.000 0.000 0.000) 0.000 48.742 ( 0.000 0.000 0.000) 0.000 50.987 ( 0.000 0.000 0.000) 0.000 51.087 ( 0.000 0.000 0.000) 0.000 53.392 ( 0.000 0.000 0.000) 0.000 53.442 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 35.105 0.000 0.000) 35.105 0.700 ( 35.892 0.000 0.000) 35.892 1.140 ( 58.340 0.000 0.000) 58.340 2.043 ( 3.067 0.000 0.000) 3.067 2.070 ( 0.328 0.000 0.000) 0.328 2.138 ( 6.438 0.000 0.000) 6.438 2.256 ( 1.287 0.000 0.000) 1.287 2.951 ( -1.768 0.000 0.000) 1.768 3.091 ( 3.529 0.000 0.000) 3.529 3.174 ( 6.878 0.000 0.000) 6.878 3.187 ( 11.591 0.000 0.000) 11.591 3.439 ( -6.194 0.000 0.000) 6.194 3.633 ( -3.159 0.000 0.000) 3.159 3.671 ( -20.141 0.000 0.000) 20.141 3.707 ( 0.342 0.000 0.000) 0.342 3.804 ( -1.739 0.000 0.000) 1.739 3.966 ( 10.908 0.000 0.000) 10.908 4.113 ( -9.518 0.000 0.000) 9.518 4.189 ( -0.618 0.000 0.000) 0.618 4.209 ( 1.778 0.000 0.000) 1.778 4.287 ( 4.779 0.000 0.000) 4.779 4.596 ( 0.255 0.000 0.000) 0.255 4.671 ( -4.469 0.000 0.000) 4.469 4.882 ( 9.797 0.000 0.000) 9.797 4.949 ( -7.520 0.000 0.000) 7.520 5.014 ( 21.782 0.000 0.000) 21.782 5.035 ( -1.021 0.000 0.000) 1.021 5.133 ( -0.671 0.000 0.000) 0.671 5.188 ( -4.718 0.000 0.000) 4.718 5.308 ( 4.505 0.000 0.000) 4.505 5.498 ( -0.736 0.000 0.000) 0.736 5.578 ( 6.917 0.000 0.000) 6.917 5.656 ( 7.853 0.000 0.000) 7.853 6.148 ( -3.520 0.000 0.000) 3.520 6.247 ( -0.132 0.000 0.000) 0.132 6.538 ( -3.543 0.000 0.000) 3.543 6.606 ( -9.327 0.000 0.000) 9.327 6.655 ( -2.288 0.000 0.000) 2.288 6.863 ( -0.418 0.000 0.000) 0.418 7.276 ( -7.551 0.000 0.000) 7.551 7.302 ( -5.723 0.000 0.000) 5.723 8.165 ( -7.094 0.000 0.000) 7.094 8.319 ( -0.551 0.000 0.000) 0.551 8.608 ( 1.007 0.000 0.000) 1.007 8.726 ( 8.386 0.000 0.000) 8.386 8.847 ( -13.693 0.000 0.000) 13.693 9.097 ( -10.140 0.000 0.000) 10.140 9.135 ( -4.136 0.000 0.000) 4.136 9.219 ( -0.922 0.000 0.000) 0.922 9.467 ( -7.834 0.000 0.000) 7.834 10.454 ( 13.088 0.000 0.000) 13.088 10.523 ( 18.642 0.000 0.000) 18.642 13.374 ( -2.498 0.000 0.000) 2.498 13.504 ( 6.456 0.000 0.000) 6.456 13.645 ( 6.446 0.000 0.000) 6.446 13.743 ( 12.222 0.000 0.000) 12.222 20.062 ( -13.706 0.000 0.000) 13.706 20.564 ( -4.965 0.000 0.000) 4.965 20.697 ( -7.533 0.000 0.000) 7.533 20.751 ( 6.414 0.000 0.000) 6.414 21.078 ( 5.489 0.000 0.000) 5.489 21.109 ( -23.481 0.000 0.000) 23.481 21.138 ( 1.603 0.000 0.000) 1.603 21.262 ( 10.836 0.000 0.000) 10.836 21.485 ( -26.129 0.000 0.000) 26.129 21.545 ( 32.581 0.000 0.000) 32.581 21.603 ( -13.230 0.000 0.000) 13.230 21.999 ( -5.534 0.000 0.000) 5.534 22.263 ( 12.102 0.000 0.000) 12.102 22.294 ( -18.722 0.000 0.000) 18.722 23.189 ( 1.374 0.000 0.000) 1.374 23.242 ( 3.091 0.000 0.000) 3.091 23.660 ( -0.390 0.000 0.000) 0.390 23.733 ( 6.618 0.000 0.000) 6.618 23.741 ( -9.944 0.000 0.000) 9.944 24.200 ( 5.203 0.000 0.000) 5.203 24.205 ( 1.443 0.000 0.000) 1.443 24.597 ( 19.905 0.000 0.000) 19.905 24.726 ( 23.401 0.000 0.000) 23.401 24.838 ( -3.453 0.000 0.000) 3.453 25.709 ( -0.453 0.000 0.000) 0.453 25.848 ( -7.256 0.000 0.000) 7.256 25.855 ( -6.877 0.000 0.000) 6.877 26.032 ( 4.106 0.000 0.000) 4.106 26.205 ( -2.172 0.000 0.000) 2.172 26.573 ( 4.186 0.000 0.000) 4.186 26.744 ( -2.073 0.000 0.000) 2.073 27.185 ( -0.706 0.000 0.000) 0.706 27.372 ( 0.226 0.000 0.000) 0.226 27.446 ( 5.969 0.000 0.000) 5.969 27.895 ( -0.476 0.000 0.000) 0.476 27.917 ( 2.080 0.000 0.000) 2.080 28.057 ( 3.853 0.000 0.000) 3.853 28.275 ( -4.160 0.000 0.000) 4.160 28.839 ( 0.894 0.000 0.000) 0.894 29.307 ( -6.569 0.000 0.000) 6.569 29.540 ( -7.729 0.000 0.000) 7.729 29.656 ( -2.462 0.000 0.000) 2.462 29.763 ( -0.747 0.000 0.000) 0.747 29.766 ( -8.273 0.000 0.000) 8.273 30.181 ( -1.456 0.000 0.000) 1.456 30.274 ( 1.050 0.000 0.000) 1.050 30.465 ( 8.733 0.000 0.000) 8.733 30.480 ( 3.682 0.000 0.000) 3.682 35.977 ( 7.884 0.000 0.000) 7.884 37.967 ( -12.027 0.000 0.000) 12.027 38.154 ( -14.958 0.000 0.000) 14.958 38.403 ( -13.913 0.000 0.000) 13.913 38.601 ( 10.998 0.000 0.000) 10.998 38.673 ( 10.265 0.000 0.000) 10.265 40.071 ( 3.340 0.000 0.000) 3.340 40.090 ( 4.978 0.000 0.000) 4.978 41.636 ( 5.970 0.000 0.000) 5.970 42.448 ( 1.395 0.000 0.000) 1.395 42.457 ( 6.462 0.000 0.000) 6.462 42.479 ( -0.677 0.000 0.000) 0.677 42.680 ( 5.698 0.000 0.000) 5.698 43.116 ( -3.638 0.000 0.000) 3.638 43.375 ( 2.012 0.000 0.000) 2.012 43.476 ( 6.441 0.000 0.000) 6.441 44.295 ( -1.376 0.000 0.000) 1.376 45.506 ( -17.407 0.000 0.000) 17.407 46.035 ( -38.136 0.000 0.000) 38.136 46.258 ( -17.694 0.000 0.000) 17.694 48.743 ( 0.337 0.000 0.000) 0.337 48.745 ( 0.479 0.000 0.000) 0.479 49.175 ( 36.627 0.000 0.000) 36.627 50.814 ( 0.293 0.000 0.000) 0.293 51.020 ( 3.462 0.000 0.000) 3.462 51.093 ( 0.665 0.000 0.000) 0.665 53.414 ( 2.254 0.000 0.000) 2.254 53.445 ( 0.366 0.000 0.000) 0.366 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 27.774 0.000 0.000) 27.774 1.355 ( 32.393 0.000 0.000) 32.393 2.099 ( 3.397 0.000 0.000) 3.397 2.101 ( 1.828 0.000 0.000) 1.828 2.194 ( 50.939 0.000 0.000) 50.939 2.297 ( 9.646 0.000 0.000) 9.646 2.301 ( 3.173 0.000 0.000) 3.173 2.903 ( -2.986 0.000 0.000) 2.986 3.157 ( 2.457 0.000 0.000) 2.457 3.221 ( -20.666 0.000 0.000) 20.666 3.297 ( -7.985 0.000 0.000) 7.985 3.330 ( 7.454 0.000 0.000) 7.454 3.465 ( 15.711 0.000 0.000) 15.711 3.663 ( 1.911 0.000 0.000) 1.911 3.729 ( 1.291 0.000 0.000) 1.291 3.751 ( -3.832 0.000 0.000) 3.832 3.957 ( 1.020 0.000 0.000) 1.020 4.133 ( -6.348 0.000 0.000) 6.348 4.249 ( 2.274 0.000 0.000) 2.274 4.292 ( 19.226 0.000 0.000) 19.226 4.347 ( -0.175 0.000 0.000) 0.175 4.521 ( -9.384 0.000 0.000) 9.384 4.605 ( 0.511 0.000 0.000) 0.511 4.820 ( -5.358 0.000 0.000) 5.358 4.947 ( -8.854 0.000 0.000) 8.854 5.073 ( 8.403 0.000 0.000) 8.403 5.133 ( -0.097 0.000 0.000) 0.097 5.134 ( 0.948 0.000 0.000) 0.948 5.346 ( 10.255 0.000 0.000) 10.255 5.399 ( 5.676 0.000 0.000) 5.676 5.504 ( 1.297 0.000 0.000) 1.297 5.718 ( 5.606 0.000 0.000) 5.606 5.840 ( 11.043 0.000 0.000) 11.043 6.016 ( -12.256 0.000 0.000) 12.256 6.303 ( 7.590 0.000 0.000) 7.590 6.421 ( -7.151 0.000 0.000) 7.151 6.464 ( -3.945 0.000 0.000) 3.945 6.589 ( -4.213 0.000 0.000) 4.213 6.836 ( -2.011 0.000 0.000) 2.011 7.155 ( -9.144 0.000 0.000) 9.144 7.237 ( 5.559 0.000 0.000) 5.559 8.004 ( -9.466 0.000 0.000) 9.466 8.143 ( -11.327 0.000 0.000) 11.327 8.490 ( -22.393 0.000 0.000) 22.393 8.729 ( -24.278 0.000 0.000) 24.278 8.803 ( 13.691 0.000 0.000) 13.691 8.821 ( -1.378 0.000 0.000) 1.378 9.125 ( 0.074 0.000 0.000) 0.074 9.197 ( -1.281 0.000 0.000) 1.281 9.308 ( -6.792 0.000 0.000) 6.792 10.757 ( 17.008 0.000 0.000) 17.008 10.906 ( 18.888 0.000 0.000) 18.888 13.314 ( -3.271 0.000 0.000) 3.271 13.485 ( -4.601 0.000 0.000) 4.601 14.022 ( 28.245 0.000 0.000) 28.245 14.093 ( 23.898 0.000 0.000) 23.898 19.913 ( -2.231 0.000 0.000) 2.231 20.352 ( -48.194 0.000 0.000) 48.194 20.445 ( -7.282 0.000 0.000) 7.282 20.575 ( -4.686 0.000 0.000) 4.686 20.660 ( -52.914 0.000 0.000) 52.914 20.757 ( -3.593 0.000 0.000) 3.593 21.192 ( 3.049 0.000 0.000) 3.049 21.245 ( 10.535 0.000 0.000) 10.535 21.445 ( 7.576 0.000 0.000) 7.576 21.463 ( -3.556 0.000 0.000) 3.556 21.960 ( 0.036 0.000 0.000) 0.036 22.092 ( -4.389 0.000 0.000) 4.389 22.246 ( 35.999 0.000 0.000) 35.999 22.570 ( 18.507 0.000 0.000) 18.507 23.237 ( 3.472 0.000 0.000) 3.472 23.334 ( 6.621 0.000 0.000) 6.621 23.603 ( -5.657 0.000 0.000) 5.657 23.652 ( -0.300 0.000 0.000) 0.300 23.914 ( 11.958 0.000 0.000) 11.958 24.204 ( -0.744 0.000 0.000) 0.744 24.225 ( -0.714 0.000 0.000) 0.714 24.743 ( -6.428 0.000 0.000) 6.428 25.039 ( 21.919 0.000 0.000) 21.919 25.109 ( 15.499 0.000 0.000) 15.499 25.666 ( -10.919 0.000 0.000) 10.919 25.677 ( -10.686 0.000 0.000) 10.686 25.705 ( 0.324 0.000 0.000) 0.324 26.142 ( -4.505 0.000 0.000) 4.505 26.182 ( 11.033 0.000 0.000) 11.033 26.672 ( 6.578 0.000 0.000) 6.578 26.684 ( -4.074 0.000 0.000) 4.074 27.212 ( 3.661 0.000 0.000) 3.661 27.385 ( 1.084 0.000 0.000) 1.084 27.556 ( 5.085 0.000 0.000) 5.085 27.873 ( -1.966 0.000 0.000) 1.966 27.981 ( 4.507 0.000 0.000) 4.507 28.138 ( 3.919 0.000 0.000) 3.919 28.139 ( -10.805 0.000 0.000) 10.805 28.867 ( 2.192 0.000 0.000) 2.192 29.180 ( -5.965 0.000 0.000) 5.965 29.360 ( -10.476 0.000 0.000) 10.476 29.515 ( -13.555 0.000 0.000) 13.555 29.629 ( -2.870 0.000 0.000) 2.870 29.715 ( -3.866 0.000 0.000) 3.866 30.209 ( 3.050 0.000 0.000) 3.050 30.307 ( 1.849 0.000 0.000) 1.849 30.565 ( 4.907 0.000 0.000) 4.907 30.610 ( 6.215 0.000 0.000) 6.215 36.199 ( 15.257 0.000 0.000) 15.257 37.755 ( -9.433 0.000 0.000) 9.433 37.887 ( -12.503 0.000 0.000) 12.503 38.035 ( -23.745 0.000 0.000) 23.745 38.786 ( 7.875 0.000 0.000) 7.875 38.827 ( 6.024 0.000 0.000) 6.024 40.155 ( 5.043 0.000 0.000) 5.043 40.201 ( 5.817 0.000 0.000) 5.817 41.802 ( 11.200 0.000 0.000) 11.200 42.470 ( -0.203 0.000 0.000) 0.203 42.473 ( 0.958 0.000 0.000) 0.958 42.608 ( 6.543 0.000 0.000) 6.543 42.830 ( 9.824 0.000 0.000) 9.824 43.058 ( 0.623 0.000 0.000) 0.623 43.411 ( 1.251 0.000 0.000) 1.251 43.683 ( 15.457 0.000 0.000) 15.457 44.263 ( -1.715 0.000 0.000) 1.715 45.049 ( -29.315 0.000 0.000) 29.315 45.280 ( -37.468 0.000 0.000) 37.468 45.803 ( -28.691 0.000 0.000) 28.691 48.752 ( 0.509 0.000 0.000) 0.509 48.755 ( 0.550 0.000 0.000) 0.550 49.875 ( 33.186 0.000 0.000) 33.186 50.803 ( -1.560 0.000 0.000) 1.560 51.105 ( 4.760 0.000 0.000) 4.760 51.114 ( 1.585 0.000 0.000) 1.585 53.461 ( 1.413 0.000 0.000) 1.413 53.469 ( 3.076 0.000 0.000) 3.076 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 15.219 0.000 0.000) 15.219 1.915 ( 25.393 0.000 0.000) 25.393 2.080 ( -4.439 0.000 0.000) 4.439 2.225 ( 9.496 0.000 0.000) 9.496 2.348 ( 0.915 0.000 0.000) 0.915 2.449 ( 3.729 0.000 0.000) 3.729 2.855 ( -1.246 0.000 0.000) 1.246 2.948 ( -5.588 0.000 0.000) 5.588 3.037 ( 35.119 0.000 0.000) 35.119 3.103 ( -8.185 0.000 0.000) 8.185 3.149 ( -7.564 0.000 0.000) 7.564 3.428 ( 4.884 0.000 0.000) 4.884 3.652 ( -4.222 0.000 0.000) 4.222 3.697 ( 3.279 0.000 0.000) 3.279 3.709 ( 2.761 0.000 0.000) 2.761 3.830 ( 10.530 0.000 0.000) 10.530 3.946 ( -11.210 0.000 0.000) 11.210 4.189 ( 20.157 0.000 0.000) 20.157 4.263 ( -7.979 0.000 0.000) 7.979 4.293 ( 2.258 0.000 0.000) 2.258 4.393 ( -4.066 0.000 0.000) 4.066 4.617 ( 0.991 0.000 0.000) 0.991 4.679 ( 20.540 0.000 0.000) 20.540 4.728 ( -4.550 0.000 0.000) 4.550 4.747 ( -10.376 0.000 0.000) 10.376 5.163 ( 2.422 0.000 0.000) 2.422 5.164 ( 1.824 0.000 0.000) 1.824 5.175 ( 3.414 0.000 0.000) 3.414 5.381 ( -4.506 0.000 0.000) 4.506 5.488 ( -5.779 0.000 0.000) 5.779 5.498 ( 1.855 0.000 0.000) 1.855 5.654 ( -22.384 0.000 0.000) 22.384 5.820 ( 8.720 0.000 0.000) 8.720 6.071 ( 12.222 0.000 0.000) 12.222 6.311 ( -9.216 0.000 0.000) 9.216 6.385 ( -4.656 0.000 0.000) 4.656 6.533 ( 14.351 0.000 0.000) 14.351 6.602 ( 8.920 0.000 0.000) 8.920 6.804 ( -0.909 0.000 0.000) 0.909 6.980 ( -8.483 0.000 0.000) 8.483 7.451 ( 13.284 0.000 0.000) 13.284 7.817 ( -9.637 0.000 0.000) 9.637 8.031 ( 2.269 0.000 0.000) 2.269 8.064 ( -19.628 0.000 0.000) 19.628 8.233 ( -25.556 0.000 0.000) 25.556 8.628 ( -17.057 0.000 0.000) 17.057 9.038 ( 10.292 0.000 0.000) 10.292 9.131 ( 0.579 0.000 0.000) 0.579 9.171 ( -1.384 0.000 0.000) 1.384 9.241 ( -1.670 0.000 0.000) 1.670 11.052 ( 12.857 0.000 0.000) 12.857 11.176 ( 8.400 0.000 0.000) 8.400 13.271 ( -0.719 0.000 0.000) 0.719 13.384 ( -5.444 0.000 0.000) 5.444 14.588 ( 27.039 0.000 0.000) 27.039 14.590 ( 24.936 0.000 0.000) 24.936 19.500 ( -36.003 0.000 0.000) 36.003 19.685 ( -44.084 0.000 0.000) 44.084 19.953 ( 5.719 0.000 0.000) 5.719 20.285 ( -9.353 0.000 0.000) 9.353 20.533 ( 0.211 0.000 0.000) 0.211 20.665 ( -5.283 0.000 0.000) 5.283 21.260 ( 3.926 0.000 0.000) 3.926 21.403 ( -3.175 0.000 0.000) 3.175 21.430 ( 8.052 0.000 0.000) 8.052 21.541 ( 2.446 0.000 0.000) 2.446 21.978 ( 1.567 0.000 0.000) 1.567 22.044 ( -1.692 0.000 0.000) 1.692 22.792 ( 19.532 0.000 0.000) 19.532 22.888 ( 12.558 0.000 0.000) 12.558 23.315 ( 4.558 0.000 0.000) 4.558 23.493 ( 9.438 0.000 0.000) 9.438 23.503 ( -5.087 0.000 0.000) 5.087 23.654 ( 0.416 0.000 0.000) 0.416 24.164 ( 13.393 0.000 0.000) 13.393 24.190 ( -0.574 0.000 0.000) 0.574 24.204 ( -1.206 0.000 0.000) 1.206 24.595 ( -8.958 0.000 0.000) 8.958 25.322 ( 7.335 0.000 0.000) 7.335 25.345 ( 9.127 0.000 0.000) 9.127 25.468 ( -8.746 0.000 0.000) 8.746 25.480 ( -9.017 0.000 0.000) 9.017 25.749 ( 5.109 0.000 0.000) 5.109 26.034 ( -6.766 0.000 0.000) 6.766 26.394 ( 8.924 0.000 0.000) 8.924 26.598 ( -4.680 0.000 0.000) 4.680 26.891 ( 18.518 0.000 0.000) 18.518 27.309 ( 5.589 0.000 0.000) 5.589 27.405 ( 0.589 0.000 0.000) 0.589 27.639 ( 4.002 0.000 0.000) 4.002 27.815 ( -4.163 0.000 0.000) 4.163 27.836 ( -21.215 0.000 0.000) 21.215 28.078 ( 5.265 0.000 0.000) 5.265 28.186 ( 0.734 0.000 0.000) 0.734 28.930 ( 4.504 0.000 0.000) 4.504 29.097 ( -2.436 0.000 0.000) 2.436 29.169 ( -8.573 0.000 0.000) 8.573 29.264 ( -11.553 0.000 0.000) 11.553 29.595 ( -0.902 0.000 0.000) 0.902 29.640 ( -3.397 0.000 0.000) 3.397 30.269 ( 2.970 0.000 0.000) 2.970 30.329 ( 0.213 0.000 0.000) 0.213 30.655 ( 4.061 0.000 0.000) 4.061 30.695 ( 2.569 0.000 0.000) 2.569 36.554 ( 21.641 0.000 0.000) 21.641 37.535 ( -27.595 0.000 0.000) 27.595 37.623 ( -4.212 0.000 0.000) 4.212 37.692 ( -7.731 0.000 0.000) 7.731 38.896 ( 3.690 0.000 0.000) 3.690 38.909 ( 2.698 0.000 0.000) 2.698 40.247 ( 4.168 0.000 0.000) 4.168 40.286 ( 2.770 0.000 0.000) 2.770 42.051 ( 14.425 0.000 0.000) 14.425 42.471 ( 0.225 0.000 0.000) 0.225 42.482 ( -0.002 0.000 0.000) 0.002 42.573 ( -9.449 0.000 0.000) 9.449 43.046 ( 12.338 0.000 0.000) 12.338 43.280 ( 21.890 0.000 0.000) 21.890 43.400 ( -3.147 0.000 0.000) 3.147 44.060 ( 23.433 0.000 0.000) 23.433 44.247 ( 0.606 0.000 0.000) 0.606 44.435 ( -33.748 0.000 0.000) 33.748 44.679 ( -24.077 0.000 0.000) 24.077 45.212 ( -32.118 0.000 0.000) 32.118 48.761 ( 0.411 0.000 0.000) 0.411 48.764 ( 0.308 0.000 0.000) 0.308 50.379 ( 19.407 0.000 0.000) 19.407 50.752 ( -3.898 0.000 0.000) 3.898 51.153 ( 2.346 0.000 0.000) 2.346 51.177 ( 2.357 0.000 0.000) 2.357 53.497 ( 2.071 0.000 0.000) 2.071 53.518 ( 1.729 0.000 0.000) 1.729 ======================= Grid point 4 (5/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -9.466 0.000 0.000) 9.466 1.940 ( 9.466 0.000 0.000) 9.466 2.274 ( -10.817 0.000 0.000) 10.817 2.274 ( 10.817 0.000 0.000) 10.817 2.400 ( -7.257 0.000 0.000) 7.257 2.400 ( 7.257 0.000 0.000) 7.257 2.904 ( -7.627 0.000 0.000) 7.627 2.904 ( 7.627 0.000 0.000) 7.627 3.001 ( -7.568 0.000 0.000) 7.568 3.001 ( 7.568 0.000 0.000) 7.568 3.539 ( -6.877 0.000 0.000) 6.877 3.539 ( 6.877 0.000 0.000) 6.877 3.564 ( -17.560 0.000 0.000) 17.560 3.564 ( 17.560 0.000 0.000) 17.560 3.780 ( -5.592 0.000 0.000) 5.592 3.780 ( 5.592 0.000 0.000) 5.592 4.064 ( -12.387 0.000 0.000) 12.387 4.064 ( 12.387 0.000 0.000) 12.387 4.336 ( -2.405 0.000 0.000) 2.405 4.336 ( 2.405 0.000 0.000) 2.405 4.551 ( -13.412 0.000 0.000) 13.412 4.551 ( 13.412 0.000 0.000) 13.412 4.653 ( -2.970 0.000 0.000) 2.970 4.653 ( 2.970 0.000 0.000) 2.970 5.098 ( -24.708 0.000 0.000) 24.708 5.098 ( 24.708 0.000 0.000) 24.708 5.188 ( -0.953 0.000 0.000) 0.953 5.188 ( 0.953 0.000 0.000) 0.953 5.266 ( -6.046 0.000 0.000) 6.046 5.266 ( 6.046 0.000 0.000) 6.046 5.486 ( -0.197 0.000 0.000) 0.197 5.486 ( 0.197 0.000 0.000) 0.197 6.066 ( -14.724 0.000 0.000) 14.724 6.066 ( 14.724 0.000 0.000) 14.724 6.268 ( -8.035 0.000 0.000) 8.035 6.268 ( 8.035 0.000 0.000) 8.035 6.733 ( -3.161 0.000 0.000) 3.161 6.733 ( 3.161 0.000 0.000) 3.161 6.841 ( -6.407 0.000 0.000) 6.407 6.841 ( 6.407 0.000 0.000) 6.407 7.648 ( -8.274 0.000 0.000) 8.274 7.648 ( 8.274 0.000 0.000) 8.274 7.891 ( -5.526 0.000 0.000) 5.526 7.891 ( 5.526 0.000 0.000) 5.526 8.261 ( -18.979 0.000 0.000) 18.979 8.261 ( 18.979 0.000 0.000) 18.979 9.147 ( -1.105 0.000 0.000) 1.105 9.147 ( 1.105 0.000 0.000) 1.105 9.185 ( -5.031 0.000 0.000) 5.031 9.185 ( 5.031 0.000 0.000) 5.031 11.217 ( -3.804 0.000 0.000) 3.804 11.217 ( 3.804 0.000 0.000) 3.804 13.296 ( -3.282 0.000 0.000) 3.282 13.296 ( 3.282 0.000 0.000) 3.282 14.875 ( -0.606 0.000 0.000) 0.606 14.875 ( 0.606 0.000 0.000) 0.606 19.172 ( -5.378 0.000 0.000) 5.378 19.172 ( 5.378 0.000 0.000) 5.378 20.103 ( -9.253 0.000 0.000) 9.253 20.103 ( 9.253 0.000 0.000) 9.253 20.574 ( -3.827 0.000 0.000) 3.827 20.574 ( 3.827 0.000 0.000) 3.827 21.336 ( -3.850 0.000 0.000) 3.850 21.336 ( 3.850 0.000 0.000) 3.850 21.537 ( -2.943 0.000 0.000) 2.943 21.537 ( 2.943 0.000 0.000) 2.943 22.012 ( -1.794 0.000 0.000) 1.794 22.012 ( 1.794 0.000 0.000) 1.794 22.992 ( -2.172 0.000 0.000) 2.172 22.992 ( 2.172 0.000 0.000) 2.172 23.407 ( -4.961 0.000 0.000) 4.961 23.407 ( 4.961 0.000 0.000) 4.961 23.635 ( -3.931 0.000 0.000) 3.931 23.635 ( 3.931 0.000 0.000) 3.931 24.188 ( -0.381 0.000 0.000) 0.381 24.188 ( 0.381 0.000 0.000) 0.381 24.402 ( -11.325 0.000 0.000) 11.325 24.402 ( 11.325 0.000 0.000) 11.325 25.380 ( -0.428 0.000 0.000) 0.428 25.380 ( 0.428 0.000 0.000) 0.428 25.405 ( -1.395 0.000 0.000) 1.395 25.405 ( 1.395 0.000 0.000) 1.395 25.888 ( -8.230 0.000 0.000) 8.230 25.888 ( 8.230 0.000 0.000) 8.230 26.511 ( -4.588 0.000 0.000) 4.588 26.511 ( 4.588 0.000 0.000) 4.588 27.355 ( -27.346 0.000 0.000) 27.346 27.355 ( 27.346 0.000 0.000) 27.346 27.391 ( -2.465 0.000 0.000) 2.465 27.391 ( 2.465 0.000 0.000) 2.465 27.724 ( -4.926 0.000 0.000) 4.926 27.724 ( 4.926 0.000 0.000) 4.926 28.162 ( -3.096 0.000 0.000) 3.096 28.162 ( 3.096 0.000 0.000) 3.096 29.038 ( -6.281 0.000 0.000) 6.281 29.038 ( 6.281 0.000 0.000) 6.281 29.104 ( -4.097 0.000 0.000) 4.097 29.104 ( 4.097 0.000 0.000) 4.097 29.596 ( -1.145 0.000 0.000) 1.145 29.596 ( 1.145 0.000 0.000) 1.145 30.314 ( -1.633 0.000 0.000) 1.633 30.314 ( 1.633 0.000 0.000) 1.633 30.707 ( -1.218 0.000 0.000) 1.218 30.707 ( 1.218 0.000 0.000) 1.218 37.015 ( -26.253 0.000 0.000) 26.253 37.015 ( 26.253 0.000 0.000) 26.253 37.599 ( -1.831 0.000 0.000) 1.831 37.599 ( 1.831 0.000 0.000) 1.831 38.932 ( -0.253 0.000 0.000) 0.253 38.932 ( 0.253 0.000 0.000) 0.253 40.301 ( -1.207 0.000 0.000) 1.207 40.301 ( 1.207 0.000 0.000) 1.207 42.332 ( -14.490 0.000 0.000) 14.490 42.332 ( 14.490 0.000 0.000) 14.490 42.477 ( -0.370 0.000 0.000) 0.370 42.477 ( 0.370 0.000 0.000) 0.370 43.271 ( -10.165 0.000 0.000) 10.165 43.271 ( 10.165 0.000 0.000) 10.165 43.803 ( -31.407 0.000 0.000) 31.407 43.803 ( 31.407 0.000 0.000) 31.407 44.316 ( -6.485 0.000 0.000) 6.485 44.316 ( 6.485 0.000 0.000) 6.485 44.623 ( -27.154 0.000 0.000) 27.154 44.623 ( 27.154 0.000 0.000) 27.154 48.766 ( -0.079 0.000 0.000) 0.079 48.766 ( 0.079 0.000 0.000) 0.079 50.638 ( -8.773 0.000 0.000) 8.773 50.638 ( 8.773 0.000 0.000) 8.773 51.189 ( -0.992 0.000 0.000) 0.992 51.189 ( 0.992 0.000 0.000) 0.992 53.527 ( -0.751 0.000 0.000) 0.751 53.527 ( 0.751 0.000 0.000) 0.751 ======================= Grid point 10 (6/45) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 21.607 21.607 0.000) 30.557 1.102 ( 27.789 27.789 0.000) 39.300 1.512 ( 37.641 37.641 0.000) 53.232 2.071 ( 3.234 3.234 0.000) 4.573 2.126 ( 2.820 2.820 0.000) 3.988 2.170 ( 5.602 5.602 0.000) 7.922 2.269 ( 2.138 2.138 0.000) 3.023 3.071 ( 3.621 3.621 0.000) 5.121 3.092 ( 1.503 1.503 0.000) 2.125 3.213 ( 7.008 7.008 0.000) 9.911 3.238 ( 6.668 6.668 0.000) 9.430 3.368 ( -6.629 -6.629 0.000) 9.375 3.427 ( -20.350 -20.350 0.000) 28.780 3.641 ( 0.364 0.364 0.000) 0.515 3.718 ( 1.668 1.668 0.000) 2.359 3.920 ( 3.708 3.708 0.000) 5.244 3.955 ( 6.530 6.530 0.000) 9.234 4.007 ( -7.851 -7.851 0.000) 11.103 4.161 ( -1.241 -1.241 0.000) 1.755 4.254 ( 2.211 2.211 0.000) 3.127 4.388 ( 6.865 6.865 0.000) 9.708 4.550 ( -1.140 -1.140 0.000) 1.612 4.810 ( -7.809 -7.809 0.000) 11.043 4.813 ( -1.421 -1.421 0.000) 2.009 4.832 ( 2.345 2.345 0.000) 3.316 5.120 ( 0.104 0.104 0.000) 0.147 5.129 ( 3.204 3.204 0.000) 4.530 5.148 ( 12.358 12.358 0.000) 17.477 5.188 ( -0.307 -0.307 0.000) 0.435 5.304 ( 2.324 2.324 0.000) 3.286 5.522 ( 0.374 0.374 0.000) 0.529 5.580 ( 3.933 3.933 0.000) 5.562 5.746 ( 8.774 8.774 0.000) 12.409 6.145 ( -5.174 -5.174 0.000) 7.318 6.182 ( -0.183 -0.183 0.000) 0.259 6.501 ( -3.295 -3.295 0.000) 4.660 6.575 ( -6.657 -6.657 0.000) 9.414 6.630 ( -2.475 -2.475 0.000) 3.500 6.794 ( -3.193 -3.193 0.000) 4.516 7.208 ( -4.719 -4.719 0.000) 6.674 7.306 ( -2.811 -2.811 0.000) 3.975 8.044 ( -7.817 -7.817 0.000) 11.055 8.442 ( -9.847 -9.847 0.000) 13.925 8.543 ( 11.592 11.592 0.000) 16.393 8.801 ( 6.439 6.439 0.000) 9.106 8.849 ( -6.789 -6.789 0.000) 9.601 8.973 ( -7.510 -7.510 0.000) 10.621 9.081 ( -7.513 -7.513 0.000) 10.624 9.106 ( -7.384 -7.384 0.000) 10.443 9.379 ( -8.393 -8.393 0.000) 11.869 10.648 ( 15.331 15.331 0.000) 21.681 10.657 ( 15.400 15.400 0.000) 21.779 13.488 ( 4.777 4.777 0.000) 6.756 13.528 ( 6.690 6.690 0.000) 9.462 13.708 ( 4.203 4.203 0.000) 5.944 13.752 ( 6.505 6.505 0.000) 9.199 19.951 ( -7.838 -7.838 0.000) 11.084 20.469 ( -4.723 -4.723 0.000) 6.679 20.657 ( -3.635 -3.635 0.000) 5.141 20.867 ( -4.366 -4.366 0.000) 6.174 21.005 ( -16.100 -16.100 0.000) 22.769 21.132 ( 19.527 19.527 0.000) 27.615 21.152 ( 1.343 1.343 0.000) 1.900 21.410 ( -13.606 -13.606 0.000) 19.242 21.464 ( -14.957 -14.957 0.000) 21.153 21.556 ( 16.885 16.885 0.000) 23.880 21.727 ( 20.789 20.789 0.000) 29.400 21.785 ( -11.058 -11.058 0.000) 15.638 21.893 ( -30.781 -30.781 0.000) 43.531 22.384 ( 9.440 9.440 0.000) 13.350 23.188 ( 0.744 0.744 0.000) 1.052 23.231 ( 0.263 0.263 0.000) 0.372 23.641 ( -5.736 -5.736 0.000) 8.112 23.677 ( 0.804 0.804 0.000) 1.137 23.773 ( 5.703 5.703 0.000) 8.065 24.369 ( 8.077 8.077 0.000) 11.423 24.416 ( 11.985 11.985 0.000) 16.949 24.704 ( 14.914 14.914 0.000) 21.092 24.835 ( 12.215 12.215 0.000) 17.274 24.865 ( -0.518 -0.518 0.000) 0.733 25.708 ( -0.060 -0.060 0.000) 0.084 25.721 ( -9.936 -9.936 0.000) 14.052 25.750 ( -8.026 -8.026 0.000) 11.350 26.111 ( 6.438 6.438 0.000) 9.105 26.192 ( -1.450 -1.450 0.000) 2.050 26.592 ( 2.344 2.344 0.000) 3.314 26.710 ( -3.491 -3.491 0.000) 4.937 27.137 ( -2.928 -2.928 0.000) 4.141 27.419 ( 1.118 1.118 0.000) 1.581 27.477 ( 4.958 4.958 0.000) 7.012 27.882 ( -0.098 -0.098 0.000) 0.139 27.955 ( 2.734 2.734 0.000) 3.866 28.092 ( 3.302 3.302 0.000) 4.669 28.255 ( -2.785 -2.785 0.000) 3.939 28.809 ( -0.780 -0.780 0.000) 1.103 29.249 ( -5.270 -5.270 0.000) 7.453 29.441 ( -7.815 -7.815 0.000) 11.053 29.619 ( -3.670 -3.670 0.000) 5.190 29.807 ( -0.959 -0.959 0.000) 1.356 29.826 ( 1.727 1.727 0.000) 2.443 30.048 ( -5.502 -5.502 0.000) 7.781 30.321 ( 2.339 2.339 0.000) 3.308 30.482 ( 3.138 3.138 0.000) 4.438 30.513 ( 2.625 2.625 0.000) 3.712 36.049 ( 7.432 7.432 0.000) 10.510 37.875 ( -8.227 -8.227 0.000) 11.634 38.034 ( -10.365 -10.365 0.000) 14.658 38.282 ( -12.413 -12.413 0.000) 17.554 38.680 ( 6.105 6.105 0.000) 8.634 38.715 ( 3.746 3.746 0.000) 5.298 40.128 ( 5.659 5.659 0.000) 8.002 40.165 ( 7.164 7.164 0.000) 10.131 41.683 ( 5.002 5.002 0.000) 7.074 42.454 ( 0.880 0.880 0.000) 1.244 42.482 ( -0.288 -0.288 0.000) 0.407 42.514 ( 5.826 5.826 0.000) 8.240 42.735 ( 5.718 5.718 0.000) 8.087 43.073 ( -4.200 -4.200 0.000) 5.940 43.412 ( 2.944 2.944 0.000) 4.164 43.507 ( 4.205 4.205 0.000) 5.947 44.254 ( -2.791 -2.791 0.000) 3.946 45.344 ( -16.474 -16.474 0.000) 23.297 45.710 ( -29.499 -29.499 0.000) 41.718 46.095 ( -16.489 -16.489 0.000) 23.319 48.755 ( 0.760 0.760 0.000) 1.075 48.757 ( 0.856 0.856 0.000) 1.211 49.475 ( 27.177 27.177 0.000) 38.434 50.889 ( 3.541 3.541 0.000) 5.008 50.973 ( -0.773 -0.773 0.000) 1.093 51.110 ( 1.046 1.046 0.000) 1.480 53.440 ( 2.533 2.533 0.000) 3.583 53.452 ( 0.856 0.856 0.000) 1.210 ======================= Grid point 11 (7/45) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 21.120 6.729 0.000) 22.167 1.619 ( 26.599 23.414 0.000) 35.436 2.106 ( 1.021 4.684 0.000) 4.794 2.237 ( 7.807 5.690 0.000) 9.660 2.311 ( 7.870 5.188 0.000) 9.426 2.338 ( 10.354 6.028 0.000) 11.981 2.348 ( 39.024 14.250 0.000) 41.544 2.999 ( -4.012 8.699 0.000) 9.579 3.028 ( -18.726 -17.615 0.000) 25.709 3.226 ( -7.382 -6.113 0.000) 9.585 3.237 ( 3.318 1.497 0.000) 3.640 3.288 ( 5.888 4.000 0.000) 7.118 3.489 ( 13.804 0.942 0.000) 13.836 3.660 ( 1.581 -0.088 0.000) 1.583 3.753 ( -0.072 4.911 0.000) 4.912 3.893 ( -0.309 11.507 0.000) 11.511 3.918 ( 3.527 -3.639 0.000) 5.068 4.109 ( -5.886 -1.065 0.000) 5.982 4.259 ( 18.978 -2.614 0.000) 19.157 4.279 ( 0.854 0.417 0.000) 0.950 4.446 ( -2.405 9.068 0.000) 9.382 4.487 ( -6.914 -0.784 0.000) 6.959 4.652 ( -3.657 -3.028 0.000) 4.748 4.797 ( -5.328 -1.440 0.000) 5.519 4.811 ( -1.378 -9.530 0.000) 9.629 5.157 ( 3.298 4.171 0.000) 5.318 5.160 ( -1.011 7.027 0.000) 7.099 5.193 ( 4.379 0.554 0.000) 4.414 5.361 ( 2.384 0.688 0.000) 2.482 5.397 ( 9.699 5.122 0.000) 10.968 5.559 ( 5.177 0.751 0.000) 5.231 5.666 ( -0.312 0.569 0.000) 0.649 5.943 ( 10.643 10.427 0.000) 14.899 6.025 ( -6.675 0.088 0.000) 6.675 6.228 ( 5.354 -6.365 0.000) 8.317 6.397 ( -7.900 -3.678 0.000) 8.714 6.436 ( -3.237 -2.360 0.000) 4.006 6.563 ( -4.004 -2.885 0.000) 4.936 6.753 ( -1.627 -6.379 0.000) 6.583 7.190 ( -8.414 0.979 0.000) 8.471 7.209 ( 6.894 -1.837 0.000) 7.134 7.894 ( -7.419 -7.637 0.000) 10.647 8.179 ( -13.612 -1.475 0.000) 13.692 8.505 ( -23.235 1.212 0.000) 23.267 8.719 ( -24.071 -1.114 0.000) 24.097 8.812 ( 11.785 3.386 0.000) 12.262 8.879 ( -0.958 5.097 0.000) 5.186 8.958 ( 0.879 -16.094 0.000) 16.118 9.066 ( -1.630 -13.697 0.000) 13.794 9.210 ( -6.073 -9.868 0.000) 11.587 10.942 ( 16.287 17.443 0.000) 23.865 11.035 ( 19.186 12.426 0.000) 22.858 13.452 ( -3.335 14.241 0.000) 14.626 13.595 ( -3.803 11.375 0.000) 11.994 13.992 ( 27.165 -2.888 0.000) 27.318 14.072 ( 23.353 -1.888 0.000) 23.429 19.863 ( -0.723 -3.306 0.000) 3.384 20.338 ( -46.496 -2.023 0.000) 46.540 20.358 ( -7.131 -3.958 0.000) 8.155 20.601 ( -1.306 1.750 0.000) 2.184 20.664 ( -53.481 0.231 0.000) 53.481 20.812 ( -2.533 -1.182 0.000) 2.795 21.194 ( 2.497 0.244 0.000) 2.509 21.310 ( -1.922 -22.876 0.000) 22.957 21.431 ( 12.616 26.733 0.000) 29.561 21.625 ( -3.117 -43.140 0.000) 43.253 21.671 ( -3.665 -17.329 0.000) 17.712 21.808 ( 8.831 26.218 0.000) 27.665 22.279 ( 30.842 3.495 0.000) 31.040 22.601 ( 13.647 2.828 0.000) 13.937 23.225 ( 2.933 -0.373 0.000) 2.956 23.276 ( 4.953 -3.603 0.000) 6.124 23.549 ( -4.357 -3.594 0.000) 5.648 23.703 ( 2.225 2.997 0.000) 3.733 23.939 ( 11.030 3.552 0.000) 11.588 24.434 ( 1.044 18.595 0.000) 18.624 24.519 ( 1.244 22.378 0.000) 22.412 24.787 ( -7.081 3.368 0.000) 7.841 25.097 ( 19.443 5.871 0.000) 20.311 25.117 ( 15.271 1.904 0.000) 15.389 25.520 ( -10.745 -11.551 0.000) 15.776 25.590 ( -8.660 -9.313 0.000) 12.718 25.714 ( 1.025 1.021 0.000) 1.446 26.145 ( -3.546 0.259 0.000) 3.556 26.242 ( 6.448 2.175 0.000) 6.805 26.604 ( -5.615 -5.545 0.000) 7.892 26.703 ( 8.842 3.365 0.000) 9.461 27.117 ( 1.131 -6.944 0.000) 7.035 27.410 ( -1.481 -1.136 0.000) 1.866 27.594 ( 6.246 4.953 0.000) 7.971 27.892 ( 0.620 2.361 0.000) 2.441 28.016 ( 3.813 3.015 0.000) 4.860 28.150 ( -8.749 0.639 0.000) 8.773 28.162 ( 3.414 2.291 0.000) 4.111 28.825 ( 2.090 -2.850 0.000) 3.534 29.142 ( -5.193 -3.539 0.000) 6.284 29.284 ( -8.332 -7.435 0.000) 11.167 29.487 ( -11.225 -1.992 0.000) 11.400 29.680 ( -6.420 5.724 0.000) 8.601 29.792 ( -4.509 3.931 0.000) 5.982 30.087 ( 5.725 -9.409 0.000) 11.014 30.367 ( 1.866 3.351 0.000) 3.836 30.525 ( 2.546 -2.075 0.000) 3.284 30.600 ( 4.818 -1.645 0.000) 5.091 36.258 ( 14.335 6.064 0.000) 15.565 37.709 ( -8.107 -4.513 0.000) 9.278 37.824 ( -10.711 -6.134 0.000) 12.343 37.951 ( -21.425 -8.594 0.000) 23.084 38.773 ( 3.449 -1.617 0.000) 3.809 38.796 ( 3.992 -2.308 0.000) 4.611 40.265 ( 7.983 10.812 0.000) 13.440 40.323 ( 8.313 11.603 0.000) 14.273 41.826 ( 9.887 2.631 0.000) 10.231 42.471 ( 0.311 0.363 0.000) 0.477 42.477 ( 0.358 0.134 0.000) 0.383 42.650 ( 5.414 4.551 0.000) 7.072 42.885 ( 9.647 5.503 0.000) 11.106 42.999 ( -0.177 -6.130 0.000) 6.132 43.454 ( 1.103 4.370 0.000) 4.507 43.673 ( 13.380 -0.803 0.000) 13.404 44.206 ( -2.173 -4.975 0.000) 5.428 44.911 ( -27.861 -14.103 0.000) 31.227 45.088 ( -32.274 -18.305 0.000) 37.104 45.669 ( -26.914 -13.577 0.000) 30.145 48.768 ( 0.646 1.426 0.000) 1.565 48.772 ( 0.697 1.438 0.000) 1.599 50.029 ( 27.455 14.582 0.000) 31.087 50.864 ( -3.197 5.321 0.000) 6.207 51.048 ( 5.113 -3.742 0.000) 6.336 51.135 ( 1.710 0.633 0.000) 1.824 53.481 ( 2.140 2.069 0.000) 2.977 53.501 ( 3.437 3.177 0.000) 4.680 ======================= Grid point 12 (8/45) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 13.561 -1.215 0.000) 13.616 2.094 ( 22.011 17.200 0.000) 27.934 2.099 ( -4.027 3.110 0.000) 5.089 2.358 ( 4.466 10.170 0.000) 11.107 2.425 ( 3.180 7.735 0.000) 8.363 2.427 ( 2.743 -2.360 0.000) 3.619 2.829 ( 0.534 -9.372 0.000) 9.387 2.927 ( -1.281 6.975 0.000) 7.092 3.098 ( -6.282 -3.742 0.000) 7.312 3.108 ( 29.264 7.102 0.000) 30.113 3.163 ( -7.126 5.602 0.000) 9.064 3.415 ( 6.492 1.008 0.000) 6.570 3.635 ( 1.037 -0.691 0.000) 1.246 3.697 ( 2.184 -0.695 0.000) 2.292 3.803 ( 2.604 9.566 0.000) 9.914 3.924 ( -11.396 -1.107 0.000) 11.449 3.924 ( 6.578 7.169 0.000) 9.730 4.171 ( 16.607 -0.821 0.000) 16.627 4.298 ( 1.165 -2.424 0.000) 2.689 4.325 ( -6.910 5.645 0.000) 8.923 4.380 ( -3.337 -0.085 0.000) 3.338 4.596 ( 9.235 -7.425 0.000) 11.850 4.624 ( -0.654 -3.174 0.000) 3.241 4.689 ( -5.019 -3.538 0.000) 6.141 4.740 ( 2.234 -2.035 0.000) 3.022 5.175 ( 3.301 4.076 0.000) 5.245 5.239 ( 5.267 7.418 0.000) 9.098 5.296 ( 3.711 7.139 0.000) 8.046 5.389 ( 0.624 -4.176 0.000) 4.222 5.455 ( -2.761 6.694 0.000) 7.241 5.497 ( -15.746 -1.691 0.000) 15.837 5.640 ( -4.313 0.072 0.000) 4.314 5.857 ( -1.898 3.088 0.000) 3.625 6.136 ( 9.420 7.554 0.000) 12.075 6.283 ( -9.378 -3.290 0.000) 9.939 6.374 ( -3.501 -0.420 0.000) 3.526 6.430 ( 14.526 -8.485 0.000) 16.823 6.591 ( 8.410 -2.534 0.000) 8.784 6.742 ( 1.521 -4.957 0.000) 5.185 7.020 ( -8.520 1.955 0.000) 8.741 7.443 ( 14.062 -0.381 0.000) 14.067 7.783 ( -5.109 -3.233 0.000) 6.046 8.000 ( -1.383 -3.735 0.000) 3.983 8.066 ( -20.072 0.282 0.000) 20.074 8.226 ( -25.414 -0.802 0.000) 25.427 8.624 ( -19.490 -0.842 0.000) 19.509 8.977 ( 1.135 -15.359 0.000) 15.401 9.034 ( -1.711 -14.096 0.000) 14.200 9.045 ( 9.194 0.845 0.000) 9.233 9.189 ( 0.755 -4.793 0.000) 4.852 11.222 ( 12.072 16.361 0.000) 20.333 11.315 ( 9.186 13.502 0.000) 16.331 13.403 ( -1.196 13.803 0.000) 13.855 13.500 ( -5.200 12.237 0.000) 13.296 14.546 ( 26.508 -4.075 0.000) 26.820 14.560 ( 24.661 -3.098 0.000) 24.855 19.504 ( -35.490 0.308 0.000) 35.492 19.687 ( -43.817 0.013 0.000) 43.817 19.915 ( 5.510 -1.973 0.000) 5.852 20.208 ( -8.281 -3.532 0.000) 9.003 20.609 ( 2.004 6.214 0.000) 6.530 20.749 ( -4.012 3.925 0.000) 5.613 21.247 ( 2.805 -1.952 0.000) 3.418 21.302 ( 0.047 -17.760 0.000) 17.761 21.595 ( -0.896 -40.500 0.000) 40.509 21.613 ( -2.323 -24.980 0.000) 25.088 21.648 ( 10.240 26.513 0.000) 28.422 21.885 ( -0.396 28.747 0.000) 28.749 22.718 ( 14.469 -6.508 0.000) 15.865 22.853 ( 8.911 -4.361 0.000) 9.921 23.294 ( 4.134 -1.440 0.000) 4.378 23.461 ( 14.561 -0.416 0.000) 14.567 23.465 ( -4.499 -2.777 0.000) 5.287 23.754 ( 2.075 6.930 0.000) 7.234 24.168 ( 12.302 0.612 0.000) 12.317 24.452 ( 1.219 22.412 0.000) 22.445 24.514 ( -1.287 24.899 0.000) 24.932 24.615 ( -10.563 1.897 0.000) 10.732 25.319 ( 7.883 -0.207 0.000) 7.886 25.340 ( -7.005 -10.607 0.000) 12.711 25.384 ( 7.514 4.033 0.000) 8.528 25.419 ( -8.847 -7.502 0.000) 11.599 25.775 ( 6.094 2.896 0.000) 6.747 26.055 ( -5.931 2.082 0.000) 6.285 26.333 ( 3.260 -7.999 0.000) 8.638 26.485 ( -5.917 -10.409 0.000) 11.973 26.998 ( 21.461 11.035 0.000) 24.132 27.177 ( 4.773 -9.970 0.000) 11.053 27.363 ( -3.553 -6.249 0.000) 7.188 27.709 ( 5.887 6.816 0.000) 9.007 27.881 ( -2.103 5.775 0.000) 6.146 27.896 ( -18.344 5.494 0.000) 19.149 28.101 ( 4.803 2.125 0.000) 5.252 28.203 ( 0.564 1.665 0.000) 1.758 28.882 ( 3.884 -3.492 0.000) 5.223 29.064 ( -3.432 -3.417 0.000) 4.843 29.139 ( -5.827 -4.149 0.000) 7.153 29.253 ( -10.777 0.391 0.000) 10.784 29.615 ( -1.211 2.410 0.000) 2.697 29.694 ( -4.917 3.571 0.000) 6.077 30.200 ( 5.720 -5.635 0.000) 8.030 30.364 ( -2.117 2.007 0.000) 2.917 30.596 ( 4.210 -5.057 0.000) 6.580 30.664 ( 1.614 -3.357 0.000) 3.725 36.590 ( 20.212 3.728 0.000) 20.553 37.497 ( -25.237 -3.925 0.000) 25.540 37.591 ( -3.914 -3.192 0.000) 5.051 37.651 ( -6.966 -4.034 0.000) 8.049 38.825 ( 2.094 -6.148 0.000) 6.495 38.847 ( 1.352 -5.571 0.000) 5.733 40.404 ( 5.960 15.217 0.000) 16.343 40.448 ( 4.245 15.380 0.000) 15.955 42.053 ( 13.571 0.303 0.000) 13.575 42.473 ( 0.247 0.253 0.000) 0.353 42.484 ( 0.035 0.332 0.000) 0.334 42.579 ( -10.874 0.544 0.000) 10.888 43.093 ( 11.843 4.700 0.000) 12.742 43.219 ( 21.423 -6.091 0.000) 22.272 43.439 ( -3.266 3.997 0.000) 5.162 44.002 ( 19.648 -5.742 0.000) 20.470 44.185 ( 0.915 -5.951 0.000) 6.021 44.326 ( -32.203 -11.141 0.000) 34.075 44.565 ( -20.531 -10.809 0.000) 23.203 45.114 ( -30.081 -9.909 0.000) 31.671 48.779 ( 0.479 1.690 0.000) 1.757 48.782 ( 0.346 1.719 0.000) 1.754 50.455 ( 16.694 7.174 0.000) 18.170 50.794 ( -4.360 3.749 0.000) 5.750 51.127 ( 3.189 -2.283 0.000) 3.922 51.169 ( 1.353 -0.877 0.000) 1.612 53.529 ( 2.610 3.297 0.000) 4.205 53.555 ( 1.936 3.756 0.000) 4.225 ======================= Grid point 13 (9/45) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -11.247 -1.431 0.000) 11.338 1.934 ( 11.247 -1.431 0.000) 11.338 2.398 ( -8.181 12.272 0.000) 14.749 2.398 ( 8.181 12.272 0.000) 14.749 2.425 ( -2.317 2.151 0.000) 3.162 2.425 ( 2.317 2.151 0.000) 3.162 2.958 ( -8.758 -2.313 0.000) 9.059 2.958 ( 8.758 -2.313 0.000) 9.059 2.965 ( -7.200 6.145 0.000) 9.465 2.965 ( 7.200 6.145 0.000) 9.465 3.496 ( -3.217 -0.189 0.000) 3.222 3.496 ( 3.217 -0.189 0.000) 3.222 3.693 ( -11.471 8.887 0.000) 14.511 3.693 ( 11.471 8.887 0.000) 14.511 3.758 ( -5.262 -1.333 0.000) 5.429 3.758 ( 5.262 -1.333 0.000) 5.429 4.105 ( -10.387 3.888 0.000) 11.091 4.105 ( 10.387 3.888 0.000) 11.091 4.331 ( -2.288 -1.791 0.000) 2.906 4.331 ( 2.288 -1.791 0.000) 2.906 4.509 ( -10.306 -4.739 0.000) 11.343 4.509 ( 10.306 -4.739 0.000) 11.343 4.627 ( -1.423 -3.794 0.000) 4.052 4.627 ( 1.423 -3.794 0.000) 4.052 5.071 ( -22.984 -2.419 0.000) 23.111 5.071 ( 22.984 -2.419 0.000) 23.111 5.288 ( -6.017 9.443 0.000) 11.197 5.288 ( 6.017 9.443 0.000) 11.197 5.354 ( -6.474 8.631 0.000) 10.789 5.354 ( 6.474 8.631 0.000) 10.789 5.450 ( -7.297 -2.309 0.000) 7.654 5.450 ( 7.297 -2.309 0.000) 7.654 6.042 ( -14.043 -2.715 0.000) 14.303 6.042 ( 14.043 -2.715 0.000) 14.303 6.286 ( -6.088 2.757 0.000) 6.683 6.286 ( 6.088 2.757 0.000) 6.683 6.644 ( -4.961 -6.559 0.000) 8.224 6.644 ( 4.961 -6.559 0.000) 8.224 6.871 ( -8.457 0.741 0.000) 8.490 6.871 ( 8.457 0.741 0.000) 8.490 7.646 ( -8.298 -0.115 0.000) 8.299 7.646 ( 8.298 -0.115 0.000) 8.299 7.887 ( -5.262 -0.372 0.000) 5.276 7.887 ( 5.262 -0.372 0.000) 5.276 8.221 ( -20.398 -4.118 0.000) 20.809 8.221 ( 20.398 -4.118 0.000) 20.809 9.002 ( -1.502 -14.645 0.000) 14.722 9.002 ( 1.502 -14.645 0.000) 14.722 9.167 ( -3.619 -1.598 0.000) 3.956 9.167 ( 3.619 -1.598 0.000) 3.956 11.373 ( -2.962 15.018 0.000) 15.307 11.373 ( 2.962 15.018 0.000) 15.307 13.419 ( -2.872 12.882 0.000) 13.198 13.419 ( 2.872 12.882 0.000) 13.198 14.834 ( -0.460 -4.059 0.000) 4.085 14.834 ( 0.460 -4.059 0.000) 4.085 19.179 ( -5.218 0.667 0.000) 5.260 19.179 ( 5.218 0.667 0.000) 5.260 20.049 ( -8.074 -2.472 0.000) 8.444 20.049 ( 8.074 -2.472 0.000) 8.444 20.669 ( -4.012 6.936 0.000) 8.013 20.669 ( 4.012 6.936 0.000) 8.013 21.291 ( -1.519 -8.076 0.000) 8.217 21.291 ( 1.519 -8.076 0.000) 8.217 21.588 ( -0.342 -34.931 0.000) 34.933 21.588 ( 0.342 -34.931 0.000) 34.933 21.813 ( -6.670 27.279 0.000) 28.083 21.813 ( 6.670 27.279 0.000) 28.083 22.888 ( -4.023 -9.443 0.000) 10.264 22.888 ( 4.023 -9.443 0.000) 10.264 23.378 ( -4.587 -2.213 0.000) 5.093 23.378 ( 4.587 -2.213 0.000) 5.093 23.712 ( -8.227 6.801 0.000) 10.674 23.712 ( 8.227 6.801 0.000) 10.674 24.398 ( -11.808 -0.429 0.000) 11.816 24.398 ( 11.808 -0.429 0.000) 11.816 24.482 ( -1.812 24.556 0.000) 24.623 24.482 ( 1.812 24.556 0.000) 24.623 25.294 ( -2.735 -8.341 0.000) 8.778 25.294 ( 2.735 -8.341 0.000) 8.778 25.418 ( -2.404 1.411 0.000) 2.787 25.418 ( 2.404 1.411 0.000) 2.787 25.921 ( -7.918 3.402 0.000) 8.618 25.921 ( 7.918 3.402 0.000) 8.618 26.393 ( -3.691 -11.744 0.000) 12.311 26.393 ( 3.691 -11.744 0.000) 12.311 27.277 ( -5.200 -9.776 0.000) 11.073 27.277 ( 5.200 -9.776 0.000) 11.073 27.465 ( -25.457 10.345 0.000) 27.479 27.465 ( 25.457 10.345 0.000) 27.479 27.813 ( -4.767 7.371 0.000) 8.779 27.813 ( 4.767 7.371 0.000) 8.779 28.180 ( -2.947 1.641 0.000) 3.373 28.180 ( 2.947 1.641 0.000) 3.373 28.972 ( -5.429 -4.655 0.000) 7.151 28.972 ( 5.429 -4.655 0.000) 7.151 29.117 ( -3.306 0.003 0.000) 3.306 29.117 ( 3.306 0.003 0.000) 3.306 29.624 ( -2.140 2.385 0.000) 3.204 29.624 ( 2.140 2.385 0.000) 3.204 30.299 ( -4.461 -1.788 0.000) 4.806 30.299 ( 4.461 -1.788 0.000) 4.806 30.659 ( -2.026 -4.552 0.000) 4.982 30.659 ( 2.026 -4.552 0.000) 4.982 37.018 ( -24.300 0.367 0.000) 24.303 37.018 ( 24.300 0.367 0.000) 24.303 37.568 ( -1.603 -3.157 0.000) 3.541 37.568 ( 1.603 -3.157 0.000) 3.541 38.852 ( -0.692 -7.069 0.000) 7.103 38.852 ( 0.692 -7.069 0.000) 7.103 40.476 ( -1.299 16.814 0.000) 16.864 40.476 ( 1.299 16.814 0.000) 16.864 42.327 ( -14.492 -0.649 0.000) 14.507 42.327 ( 14.492 -0.649 0.000) 14.507 42.480 ( -0.397 0.336 0.000) 0.520 42.480 ( 0.397 0.336 0.000) 0.520 43.311 ( -9.969 3.944 0.000) 10.721 43.311 ( 9.969 3.944 0.000) 10.721 43.723 ( -30.039 -8.218 0.000) 31.143 43.723 ( 30.039 -8.218 0.000) 31.143 44.214 ( -5.537 -9.761 0.000) 11.222 44.214 ( 5.537 -9.761 0.000) 11.222 44.570 ( -24.398 -5.495 0.000) 25.009 44.570 ( 24.398 -5.495 0.000) 25.009 48.785 ( -0.103 1.781 0.000) 1.784 48.785 ( 0.103 1.781 0.000) 1.784 50.682 ( -8.020 4.097 0.000) 9.006 50.682 ( 8.020 4.097 0.000) 9.006 51.171 ( -1.232 -1.718 0.000) 2.114 51.171 ( 1.232 -1.718 0.000) 2.114 53.566 ( -0.878 3.886 0.000) 3.983 53.566 ( 0.878 3.886 0.000) 3.983 ======================= Grid point 20 (10/45) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 7.960 7.960 0.000) 11.258 2.089 ( 23.581 23.581 0.000) 33.348 2.244 ( 5.972 5.972 0.000) 8.445 2.252 ( 1.625 1.625 0.000) 2.298 2.463 ( 8.149 8.149 0.000) 11.524 2.529 ( 12.259 12.259 0.000) 17.337 2.666 ( -16.303 -16.303 0.000) 23.055 2.774 ( 26.519 26.519 0.000) 37.504 3.118 ( -4.389 -4.389 0.000) 6.208 3.174 ( 3.463 3.463 0.000) 4.897 3.189 ( 2.860 2.860 0.000) 4.045 3.484 ( 5.785 5.785 0.000) 8.181 3.523 ( 7.092 7.092 0.000) 10.029 3.667 ( 0.969 0.969 0.000) 1.371 3.806 ( -1.703 -1.703 0.000) 2.408 3.947 ( 11.408 11.408 0.000) 16.134 4.091 ( -2.603 -2.603 0.000) 3.682 4.125 ( 6.648 6.648 0.000) 9.402 4.218 ( -5.504 -5.504 0.000) 7.783 4.245 ( 6.513 6.513 0.000) 9.211 4.477 ( -3.537 -3.537 0.000) 5.002 4.517 ( -5.356 -5.356 0.000) 7.574 4.603 ( 1.427 1.427 0.000) 2.018 4.633 ( -6.429 -6.429 0.000) 9.093 4.710 ( -7.382 -7.382 0.000) 10.439 5.132 ( -2.642 -2.642 0.000) 3.736 5.286 ( 7.563 7.563 0.000) 10.695 5.303 ( 5.185 5.185 0.000) 7.333 5.414 ( 1.111 1.111 0.000) 1.571 5.502 ( 0.630 0.630 0.000) 0.890 5.514 ( 5.727 5.727 0.000) 8.099 5.852 ( 10.004 10.004 0.000) 14.148 5.966 ( -3.160 -3.160 0.000) 4.469 6.151 ( -2.065 -2.065 0.000) 2.920 6.192 ( 13.376 13.376 0.000) 18.916 6.267 ( -7.138 -7.138 0.000) 10.095 6.401 ( -0.786 -0.786 0.000) 1.112 6.485 ( -4.472 -4.472 0.000) 6.324 6.652 ( -3.503 -3.503 0.000) 4.954 7.145 ( -5.470 -5.470 0.000) 7.735 7.236 ( 6.533 6.533 0.000) 9.240 7.756 ( -6.135 -6.135 0.000) 8.675 8.060 ( -9.237 -9.237 0.000) 13.062 8.484 ( -11.798 -11.798 0.000) 16.684 8.591 ( -11.928 -11.928 0.000) 16.868 8.695 ( -11.977 -11.977 0.000) 16.938 8.708 ( -12.832 -12.832 0.000) 18.147 8.914 ( -4.535 -4.535 0.000) 6.413 8.958 ( -2.322 -2.322 0.000) 3.283 9.006 ( 3.922 3.922 0.000) 5.547 11.318 ( 17.545 17.545 0.000) 24.813 11.324 ( 18.165 18.165 0.000) 25.689 13.763 ( 9.519 9.519 0.000) 13.462 13.900 ( 12.552 12.552 0.000) 17.751 13.945 ( 7.916 7.916 0.000) 11.195 14.101 ( 10.985 10.985 0.000) 15.535 19.844 ( 1.856 1.856 0.000) 2.624 20.160 ( -24.435 -24.435 0.000) 34.557 20.304 ( -3.662 -3.662 0.000) 5.179 20.585 ( -34.023 -34.023 0.000) 48.115 20.608 ( 1.718 1.718 0.000) 2.429 20.709 ( -21.374 -21.374 0.000) 30.228 20.735 ( -21.990 -21.990 0.000) 31.098 20.830 ( 2.158 2.158 0.000) 3.052 21.208 ( 1.255 1.255 0.000) 1.775 21.504 ( -5.171 -5.171 0.000) 7.313 21.977 ( 24.133 24.133 0.000) 34.129 22.297 ( 20.677 20.677 0.000) 29.242 22.387 ( 9.908 9.908 0.000) 14.013 22.662 ( 3.895 3.895 0.000) 5.508 23.234 ( 1.317 1.317 0.000) 1.863 23.264 ( 3.479 3.479 0.000) 4.920 23.481 ( -3.652 -3.652 0.000) 5.165 23.758 ( 4.213 4.213 0.000) 5.958 24.049 ( 7.066 7.066 0.000) 9.993 24.721 ( 10.023 10.023 0.000) 14.174 24.806 ( -2.854 -2.854 0.000) 4.036 24.884 ( 13.076 13.076 0.000) 18.493 25.148 ( 4.665 4.665 0.000) 6.598 25.291 ( -11.603 -11.603 0.000) 16.410 25.320 ( 13.427 13.427 0.000) 18.989 25.388 ( -10.157 -10.157 0.000) 14.364 25.751 ( 3.436 3.436 0.000) 4.859 26.143 ( -0.828 -0.828 0.000) 1.171 26.190 ( -5.982 -5.982 0.000) 8.459 26.449 ( -10.456 -10.456 0.000) 14.787 26.902 ( 16.584 16.584 0.000) 23.453 27.005 ( -4.004 -4.004 0.000) 5.663 27.332 ( -6.050 -6.050 0.000) 8.556 27.720 ( 7.301 7.301 0.000) 10.325 27.959 ( 3.952 3.952 0.000) 5.588 28.076 ( 3.125 3.125 0.000) 4.420 28.134 ( -3.089 -3.089 0.000) 4.368 28.211 ( 2.412 2.412 0.000) 3.411 28.801 ( 0.626 0.626 0.000) 0.886 29.065 ( -3.919 -3.919 0.000) 5.542 29.141 ( -6.785 -6.785 0.000) 9.596 29.405 ( -6.936 -6.936 0.000) 9.809 29.772 ( -3.596 -3.596 0.000) 5.085 29.791 ( 0.001 0.001 0.000) 0.001 29.962 ( 0.281 0.281 0.000) 0.397 30.417 ( 2.406 2.406 0.000) 3.403 30.495 ( -2.775 -2.775 0.000) 3.925 30.575 ( 0.343 0.343 0.000) 0.485 36.427 ( 11.581 11.581 0.000) 16.378 37.604 ( -5.776 -5.776 0.000) 8.169 37.684 ( -7.721 -7.721 0.000) 10.919 37.719 ( -15.272 -15.272 0.000) 21.598 38.730 ( -2.013 -2.013 0.000) 2.846 38.763 ( -1.427 -1.427 0.000) 2.018 40.520 ( 14.389 14.389 0.000) 20.349 40.581 ( 13.844 13.844 0.000) 19.578 41.907 ( 6.024 6.024 0.000) 8.519 42.475 ( 0.073 0.073 0.000) 0.103 42.486 ( 0.740 0.740 0.000) 1.047 42.787 ( 7.708 7.708 0.000) 10.901 42.836 ( -8.113 -8.113 0.000) 11.474 43.026 ( 8.828 8.828 0.000) 12.484 43.558 ( 4.418 4.418 0.000) 6.248 43.678 ( 3.572 3.572 0.000) 5.051 44.110 ( -4.469 -4.469 0.000) 6.320 44.537 ( -24.059 -24.059 0.000) 34.025 44.678 ( -22.161 -22.161 0.000) 31.341 45.316 ( -22.364 -22.364 0.000) 31.628 48.795 ( 1.302 1.302 0.000) 1.842 48.799 ( 1.294 1.294 0.000) 1.830 50.347 ( 16.588 16.588 0.000) 23.459 50.927 ( -1.587 -1.587 0.000) 2.244 51.016 ( 2.745 2.745 0.000) 3.882 51.143 ( 0.389 0.389 0.000) 0.550 53.538 ( 3.797 3.797 0.000) 5.369 53.577 ( 4.310 4.310 0.000) 6.096 ======================= Grid point 21 (11/45) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 7.035 -3.392 0.000) 7.811 2.104 ( -14.383 -7.922 0.000) 16.420 2.398 ( 6.902 3.920 0.000) 7.938 2.488 ( 17.456 21.828 0.000) 27.949 2.509 ( 1.253 5.603 0.000) 5.741 2.624 ( 7.917 12.618 0.000) 14.896 2.784 ( 11.806 6.483 0.000) 13.469 3.060 ( -2.371 0.056 0.000) 2.371 3.086 ( -0.312 8.466 0.000) 8.472 3.243 ( 1.735 5.103 0.000) 5.389 3.334 ( 15.231 13.313 0.000) 20.229 3.516 ( 2.392 8.514 0.000) 8.844 3.644 ( 4.873 2.290 0.000) 5.384 3.696 ( 1.892 0.676 0.000) 2.009 3.921 ( 12.658 -2.870 0.000) 12.979 3.927 ( -11.796 1.526 0.000) 11.894 4.097 ( -4.089 15.007 0.000) 15.554 4.183 ( 1.423 -8.809 0.000) 8.923 4.230 ( 12.284 7.673 0.000) 14.484 4.364 ( -5.602 -2.601 0.000) 6.177 4.418 ( -2.006 -6.508 0.000) 6.810 4.447 ( -7.049 1.954 0.000) 7.315 4.476 ( -1.525 -10.284 0.000) 10.397 4.569 ( -6.133 -9.064 0.000) 10.944 4.657 ( 10.788 -6.644 0.000) 12.670 5.138 ( 3.367 -6.496 0.000) 7.317 5.322 ( -10.338 -4.532 0.000) 11.288 5.416 ( 6.776 6.709 0.000) 9.536 5.420 ( 6.352 9.362 0.000) 11.314 5.571 ( -0.045 4.180 0.000) 4.181 5.580 ( 2.874 -0.312 0.000) 2.891 5.712 ( -11.059 14.347 0.000) 18.114 5.956 ( -8.851 7.606 0.000) 11.670 6.184 ( -8.492 -5.570 0.000) 10.156 6.270 ( 18.524 -6.272 0.000) 19.557 6.377 ( 5.418 16.583 0.000) 17.446 6.407 ( 1.073 4.695 0.000) 4.816 6.522 ( 8.869 -4.292 0.000) 9.852 6.634 ( 3.130 -5.881 0.000) 6.662 7.008 ( -8.093 -3.425 0.000) 8.788 7.464 ( 14.065 3.292 0.000) 14.445 7.704 ( 1.582 -4.788 0.000) 5.043 7.893 ( -5.414 -6.797 0.000) 8.689 8.073 ( -20.834 0.184 0.000) 20.835 8.201 ( -24.808 -2.048 0.000) 24.893 8.552 ( -22.634 -8.274 0.000) 24.099 8.590 ( 1.371 -23.526 0.000) 23.566 8.662 ( -2.062 -23.583 0.000) 23.672 9.073 ( 5.478 1.963 0.000) 5.819 9.106 ( 3.867 -2.639 0.000) 4.682 11.589 ( 11.125 19.573 0.000) 22.514 11.625 ( 10.784 17.105 0.000) 20.221 13.781 ( -1.695 24.292 0.000) 24.351 13.842 ( -4.498 22.947 0.000) 23.384 14.446 ( 25.997 -5.792 0.000) 26.635 14.488 ( 22.368 -3.575 0.000) 22.652 19.497 ( -33.014 -2.002 0.000) 33.075 19.669 ( -42.225 -2.921 0.000) 42.326 19.926 ( 6.173 3.302 0.000) 7.001 20.198 ( -6.835 1.219 0.000) 6.943 20.576 ( 0.286 -44.907 0.000) 44.908 20.659 ( -2.037 -49.027 0.000) 49.070 20.693 ( 6.029 3.692 0.000) 7.069 20.848 ( -0.716 6.500 0.000) 6.539 21.248 ( 2.985 -1.086 0.000) 3.177 21.410 ( -4.865 -4.681 0.000) 6.751 22.290 ( 10.285 33.574 0.000) 35.114 22.458 ( 2.514 22.325 0.000) 22.466 22.593 ( 6.134 -3.373 0.000) 7.001 22.780 ( 3.339 4.117 0.000) 5.301 23.273 ( 2.683 -0.646 0.000) 2.760 23.408 ( -3.963 -3.183 0.000) 5.083 23.486 ( 20.344 2.036 0.000) 20.445 23.877 ( 6.246 6.538 0.000) 9.042 24.186 ( 7.466 0.917 0.000) 7.522 24.655 ( -12.401 1.798 0.000) 12.531 24.855 ( 5.188 17.179 0.000) 17.945 24.980 ( -0.413 22.030 0.000) 22.034 25.112 ( -6.037 -12.643 0.000) 14.011 25.220 ( -8.073 -12.366 0.000) 14.768 25.313 ( 9.990 -0.381 0.000) 9.997 25.490 ( 3.035 6.328 0.000) 7.018 25.866 ( 8.104 6.762 0.000) 10.555 26.087 ( -3.308 -15.730 0.000) 16.074 26.104 ( -3.359 2.834 0.000) 4.395 26.240 ( -10.208 -15.001 0.000) 18.145 26.983 ( 1.883 -9.672 0.000) 9.853 27.201 ( -7.318 -9.774 0.000) 12.210 27.282 ( 22.101 17.573 0.000) 28.236 27.855 ( 6.583 7.779 0.000) 10.191 28.004 ( 0.001 6.630 0.000) 6.630 28.004 ( -11.228 4.725 0.000) 12.182 28.143 ( 4.070 1.871 0.000) 4.479 28.239 ( 0.179 1.718 0.000) 1.727 28.839 ( 2.892 -0.600 0.000) 2.954 28.990 ( -4.645 -3.170 0.000) 5.624 29.053 ( -1.191 -4.503 0.000) 4.658 29.236 ( -9.491 -3.082 0.000) 9.979 29.677 ( -2.956 2.847 0.000) 4.104 29.741 ( -4.457 2.236 0.000) 4.986 30.073 ( 8.246 -7.349 0.000) 11.046 30.377 ( -6.510 -1.696 0.000) 6.728 30.503 ( 3.733 -3.530 0.000) 5.137 30.589 ( 0.142 -3.450 0.000) 3.453 36.693 ( 16.006 6.981 0.000) 17.462 37.389 ( -18.690 -7.263 0.000) 20.052 37.513 ( -3.290 -4.499 0.000) 5.574 37.554 ( -5.382 -5.578 0.000) 7.752 38.708 ( -0.312 -5.292 0.000) 5.301 38.737 ( -1.346 -5.313 0.000) 5.481 40.763 ( 9.986 20.709 0.000) 22.991 40.801 ( 8.206 19.840 0.000) 21.470 42.064 ( 10.512 0.912 0.000) 10.551 42.480 ( 0.464 0.512 0.000) 0.691 42.495 ( 0.123 0.761 0.000) 0.771 42.580 ( -14.287 -1.398 0.000) 14.355 43.079 ( 18.926 -6.968 0.000) 20.168 43.210 ( 10.262 6.988 0.000) 12.416 43.546 ( -4.495 6.996 0.000) 8.316 43.859 ( 11.910 -8.893 0.000) 14.864 44.031 ( -27.916 -18.976 0.000) 33.755 44.048 ( -1.910 -7.335 0.000) 7.579 44.334 ( -10.769 -11.616 0.000) 15.840 44.856 ( -24.678 -16.254 0.000) 29.550 48.815 ( 0.769 1.889 0.000) 2.039 48.818 ( 0.653 1.846 0.000) 1.958 50.612 ( 10.776 8.222 0.000) 13.555 50.860 ( -4.250 2.187 0.000) 4.780 51.088 ( 3.408 -1.154 0.000) 3.598 51.149 ( 0.043 -0.995 0.000) 0.996 53.614 ( 3.674 5.213 0.000) 6.377 53.646 ( 2.524 5.210 0.000) 5.789 ======================= Grid point 22 (12/45) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -11.861 -9.170 0.000) 14.992 1.837 ( 11.861 -9.170 0.000) 14.992 2.504 ( -3.349 7.455 0.000) 8.172 2.504 ( 3.349 7.455 0.000) 8.172 2.697 ( -3.016 17.720 0.000) 17.975 2.697 ( 3.016 17.720 0.000) 17.975 2.977 ( -7.491 3.931 0.000) 8.459 2.977 ( 7.491 3.931 0.000) 8.459 3.123 ( -6.944 9.801 0.000) 12.011 3.123 ( 6.944 9.801 0.000) 12.011 3.528 ( -3.901 2.950 0.000) 4.891 3.528 ( 3.901 2.950 0.000) 4.891 3.754 ( -5.379 1.068 0.000) 5.484 3.754 ( 5.379 1.068 0.000) 5.484 3.882 ( -16.873 10.690 0.000) 19.974 3.882 ( 16.873 10.690 0.000) 19.974 4.176 ( -12.982 0.753 0.000) 13.004 4.176 ( 12.982 0.753 0.000) 13.004 4.251 ( -5.557 -6.299 0.000) 8.400 4.251 ( 5.557 -6.299 0.000) 8.400 4.398 ( -2.435 -3.593 0.000) 4.341 4.398 ( 2.435 -3.593 0.000) 4.341 4.486 ( -2.686 -10.409 0.000) 10.750 4.486 ( 2.686 -10.409 0.000) 10.750 5.011 ( -20.083 -3.898 0.000) 20.458 5.011 ( 20.083 -3.898 0.000) 20.458 5.313 ( -13.293 -5.297 0.000) 14.309 5.313 ( 13.293 -5.297 0.000) 14.309 5.524 ( -4.353 7.088 0.000) 8.318 5.524 ( 4.353 7.088 0.000) 8.318 5.620 ( -4.287 15.837 0.000) 16.407 5.620 ( 4.287 15.837 0.000) 16.407 5.972 ( -10.006 -2.329 0.000) 10.274 5.972 ( 10.006 -2.329 0.000) 10.274 6.421 ( -0.355 12.086 0.000) 12.091 6.421 ( 0.355 12.086 0.000) 12.091 6.538 ( -6.780 -3.720 0.000) 7.734 6.538 ( 6.780 -3.720 0.000) 7.734 6.836 ( -11.290 -4.438 0.000) 12.131 6.836 ( 11.290 -4.438 0.000) 12.131 7.647 ( -7.063 0.113 0.000) 7.064 7.647 ( 7.063 0.113 0.000) 7.064 7.876 ( -4.308 -0.826 0.000) 4.386 7.876 ( 4.308 -0.826 0.000) 4.386 8.103 ( -22.673 -8.198 0.000) 24.109 8.103 ( 22.673 -8.198 0.000) 24.109 8.623 ( -1.977 -23.750 0.000) 23.832 8.623 ( 1.977 -23.750 0.000) 23.832 9.136 ( -0.878 -1.463 0.000) 1.706 9.136 ( 0.878 -1.463 0.000) 1.706 11.714 ( -1.393 18.614 0.000) 18.666 11.714 ( 1.393 18.614 0.000) 18.666 13.778 ( -1.770 23.825 0.000) 23.891 13.778 ( 1.770 23.825 0.000) 23.891 14.735 ( -0.756 -5.774 0.000) 5.823 14.735 ( 0.756 -5.774 0.000) 5.823 19.186 ( -4.585 -0.501 0.000) 4.612 19.186 ( 4.585 -0.501 0.000) 4.612 20.060 ( -7.400 3.129 0.000) 8.035 20.060 ( 7.400 3.129 0.000) 8.035 20.612 ( -2.642 -48.032 0.000) 48.104 20.612 ( 2.642 -48.032 0.000) 48.104 20.799 ( -4.392 6.920 0.000) 8.196 20.799 ( 4.392 6.920 0.000) 8.196 21.320 ( -4.409 -3.354 0.000) 5.540 21.320 ( 4.409 -3.354 0.000) 5.540 22.426 ( -4.647 25.741 0.000) 26.157 22.426 ( 4.647 25.741 0.000) 26.157 22.724 ( -6.696 1.250 0.000) 6.811 22.724 ( 6.696 1.250 0.000) 6.811 23.334 ( -3.654 -2.245 0.000) 4.288 23.334 ( 3.654 -2.245 0.000) 4.288 23.848 ( -11.984 6.519 0.000) 13.642 23.848 ( 11.984 6.519 0.000) 13.642 24.385 ( -13.912 -0.809 0.000) 13.936 24.385 ( 13.912 -0.809 0.000) 13.936 24.937 ( -3.486 20.439 0.000) 20.734 24.937 ( 3.486 20.439 0.000) 20.734 25.091 ( -3.898 -12.315 0.000) 12.917 25.091 ( 3.898 -12.315 0.000) 12.917 25.462 ( -5.108 3.438 0.000) 6.157 25.462 ( 5.108 3.438 0.000) 6.157 26.012 ( -6.392 5.859 0.000) 8.671 26.012 ( 6.392 5.859 0.000) 8.671 26.095 ( -4.322 -18.347 0.000) 18.850 26.095 ( 4.322 -18.347 0.000) 18.850 27.067 ( -6.307 -11.666 0.000) 13.262 27.067 ( 6.307 -11.666 0.000) 13.262 27.698 ( -20.154 12.883 0.000) 23.920 27.698 ( 20.154 12.883 0.000) 23.920 27.961 ( -4.209 7.619 0.000) 8.704 27.961 ( 4.209 7.619 0.000) 8.704 28.214 ( -2.770 1.560 0.000) 3.179 28.214 ( 2.770 1.560 0.000) 3.179 28.904 ( -3.972 -1.977 0.000) 4.437 28.904 ( 3.972 -1.977 0.000) 4.437 29.092 ( -4.950 -2.617 0.000) 5.599 29.092 ( 4.950 -2.617 0.000) 5.599 29.671 ( -2.113 2.541 0.000) 3.304 29.671 ( 2.113 2.541 0.000) 3.304 30.233 ( -8.220 -5.561 0.000) 9.924 30.233 ( 8.220 -5.561 0.000) 9.924 30.567 ( -2.470 -4.077 0.000) 4.767 30.567 ( 2.470 -4.077 0.000) 4.767 37.027 ( -18.680 0.563 0.000) 18.688 37.027 ( 18.680 0.563 0.000) 18.688 37.490 ( -1.090 -4.507 0.000) 4.637 37.490 ( 1.090 -4.507 0.000) 4.637 38.715 ( -0.856 -6.461 0.000) 6.517 38.715 ( 0.856 -6.461 0.000) 6.517 40.872 ( -1.036 23.006 0.000) 23.029 40.872 ( 1.036 23.006 0.000) 23.029 42.303 ( -14.116 -2.026 0.000) 14.260 42.303 ( 14.116 -2.026 0.000) 14.260 42.491 ( -0.521 0.781 0.000) 0.938 42.491 ( 0.521 0.781 0.000) 0.938 43.406 ( -9.648 5.330 0.000) 11.022 43.406 ( 9.648 5.330 0.000) 11.022 43.510 ( -25.741 -13.186 0.000) 28.922 43.510 ( 25.741 -13.186 0.000) 28.922 44.000 ( -3.806 -10.986 0.000) 11.627 44.000 ( 3.806 -10.986 0.000) 11.627 44.424 ( -18.393 -9.221 0.000) 20.575 44.424 ( 18.393 -9.221 0.000) 20.575 48.824 ( -0.098 2.068 0.000) 2.071 48.824 ( 0.098 2.068 0.000) 2.071 50.766 ( -5.939 3.967 0.000) 7.142 50.766 ( 5.939 3.967 0.000) 7.142 51.136 ( -1.578 -1.580 0.000) 2.233 51.136 ( 1.578 -1.580 0.000) 2.233 53.662 ( -0.985 5.649 0.000) 5.734 53.662 ( 0.985 5.649 0.000) 5.734 ======================= Grid point 30 (13/45) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -1.899 -1.899 0.000) 2.686 1.851 ( -14.303 -14.303 0.000) 20.227 2.561 ( 9.866 9.866 0.000) 13.952 2.641 ( 7.237 7.237 0.000) 10.235 2.830 ( 12.960 12.960 0.000) 18.329 2.914 ( 16.571 16.571 0.000) 23.435 2.940 ( 7.532 7.532 0.000) 10.651 3.080 ( 1.030 1.030 0.000) 1.456 3.191 ( 1.626 1.626 0.000) 2.299 3.329 ( 3.915 3.915 0.000) 5.537 3.597 ( 9.503 9.503 0.000) 13.439 3.601 ( 0.358 0.358 0.000) 0.507 3.725 ( 2.436 2.436 0.000) 3.445 3.818 ( 0.971 0.971 0.000) 1.374 3.819 ( 12.082 12.082 0.000) 17.086 3.973 ( -5.294 -5.294 0.000) 7.487 3.989 ( -1.899 -1.899 0.000) 2.686 4.230 ( -9.147 -9.147 0.000) 12.935 4.283 ( -8.430 -8.430 0.000) 11.922 4.293 ( -4.993 -4.993 0.000) 7.061 4.322 ( 0.786 0.786 0.000) 1.111 4.388 ( -8.354 -8.354 0.000) 11.815 4.477 ( 0.600 0.600 0.000) 0.848 4.484 ( 2.996 2.996 0.000) 4.237 4.531 ( 10.337 10.337 0.000) 14.619 5.058 ( -0.320 -0.320 0.000) 0.453 5.227 ( -7.636 -7.636 0.000) 10.799 5.438 ( -11.319 -11.319 0.000) 16.008 5.512 ( 5.076 5.076 0.000) 7.179 5.551 ( 4.421 4.421 0.000) 6.252 5.612 ( 0.549 0.549 0.000) 0.776 5.908 ( -10.277 -10.277 0.000) 14.534 6.022 ( 10.729 10.729 0.000) 15.173 6.279 ( 10.958 10.958 0.000) 15.497 6.325 ( 8.374 8.374 0.000) 11.842 6.423 ( 1.800 1.800 0.000) 2.546 6.550 ( 9.460 9.460 0.000) 13.379 6.569 ( -0.811 -0.811 0.000) 1.147 6.667 ( 10.287 10.287 0.000) 14.548 6.900 ( -7.506 -7.506 0.000) 10.616 7.597 ( 10.027 10.027 0.000) 14.181 7.629 ( -0.781 -0.781 0.000) 1.105 7.763 ( -6.165 -6.165 0.000) 8.718 8.015 ( -11.569 -11.569 0.000) 16.361 8.084 ( -13.870 -13.870 0.000) 19.615 8.228 ( -10.600 -10.600 0.000) 14.991 8.236 ( -10.776 -10.776 0.000) 15.239 8.296 ( -17.673 -17.673 0.000) 24.994 9.098 ( 1.075 1.075 0.000) 1.520 9.108 ( 1.352 1.352 0.000) 1.911 11.896 ( 11.582 11.582 0.000) 16.380 11.909 ( 11.244 11.244 0.000) 15.901 14.169 ( 10.405 10.405 0.000) 14.715 14.254 ( 7.113 7.113 0.000) 10.059 14.417 ( 12.761 12.761 0.000) 18.047 14.508 ( 9.068 9.068 0.000) 12.824 19.332 ( -17.160 -17.160 0.000) 24.268 19.452 ( -23.160 -23.160 0.000) 32.754 19.935 ( -16.803 -16.803 0.000) 23.764 19.948 ( -17.204 -17.204 0.000) 24.330 20.022 ( 5.981 5.981 0.000) 8.458 20.199 ( -1.805 -1.805 0.000) 2.553 20.804 ( 7.693 7.693 0.000) 10.879 20.950 ( 3.072 3.072 0.000) 4.345 21.244 ( 0.601 0.601 0.000) 0.849 21.332 ( -3.679 -3.679 0.000) 5.202 22.405 ( -4.106 -4.106 0.000) 5.807 22.498 ( -7.053 -7.053 0.000) 9.975 22.952 ( 24.673 24.673 0.000) 34.892 23.226 ( 22.919 22.919 0.000) 32.412 23.272 ( 0.611 0.611 0.000) 0.865 23.347 ( -3.045 -3.045 0.000) 4.307 23.543 ( 8.782 8.782 0.000) 12.420 24.040 ( 10.231 10.231 0.000) 14.469 24.180 ( -1.747 -1.747 0.000) 2.470 24.642 ( -5.925 -5.925 0.000) 8.379 24.874 ( -9.929 -9.929 0.000) 14.042 24.991 ( -10.804 -10.804 0.000) 15.279 25.092 ( 8.477 8.477 0.000) 11.989 25.251 ( 1.342 1.342 0.000) 1.898 25.375 ( 11.307 11.307 0.000) 15.991 25.580 ( 2.143 2.143 0.000) 3.031 25.818 ( -10.359 -10.359 0.000) 14.650 25.944 ( -14.449 -14.449 0.000) 20.434 26.018 ( 7.981 7.981 0.000) 11.287 26.151 ( 1.506 1.506 0.000) 2.130 26.840 ( -4.224 -4.224 0.000) 5.974 27.010 ( -9.810 -9.810 0.000) 13.874 27.628 ( 17.695 17.695 0.000) 25.025 27.994 ( 6.503 6.503 0.000) 9.197 28.041 ( -1.719 -1.719 0.000) 2.431 28.111 ( 3.249 3.249 0.000) 4.595 28.169 ( 1.632 1.632 0.000) 2.307 28.256 ( -0.185 -0.185 0.000) 0.262 28.856 ( 1.951 1.951 0.000) 2.759 28.962 ( -1.517 -1.517 0.000) 2.146 28.974 ( -1.828 -1.828 0.000) 2.585 29.139 ( -6.396 -6.396 0.000) 9.045 29.692 ( 0.400 0.400 0.000) 0.566 29.797 ( 0.172 0.172 0.000) 0.243 29.971 ( 0.036 0.036 0.000) 0.051 30.267 ( -8.718 -8.718 0.000) 12.329 30.490 ( 1.313 1.313 0.000) 1.857 30.548 ( -1.320 -1.320 0.000) 1.867 36.850 ( 9.252 9.252 0.000) 13.085 37.227 ( -9.467 -9.467 0.000) 13.388 37.438 ( -2.931 -2.931 0.000) 4.145 37.458 ( -4.002 -4.002 0.000) 5.659 38.636 ( -2.248 -2.248 0.000) 3.180 38.656 ( -3.068 -3.068 0.000) 4.338 41.131 ( 15.975 15.975 0.000) 22.592 41.144 ( 14.547 14.547 0.000) 20.573 42.102 ( 3.780 3.780 0.000) 5.346 42.470 ( -10.563 -10.563 0.000) 14.938 42.493 ( 0.820 0.820 0.000) 1.160 42.508 ( 0.413 0.413 0.000) 0.585 43.045 ( 5.190 5.190 0.000) 7.339 43.343 ( 6.860 6.860 0.000) 9.701 43.637 ( -21.233 -21.233 0.000) 30.027 43.642 ( -5.903 -5.903 0.000) 8.348 43.729 ( 4.353 4.353 0.000) 6.157 43.941 ( -3.953 -3.953 0.000) 5.591 44.174 ( -3.779 -3.779 0.000) 5.344 44.528 ( -17.193 -17.193 0.000) 24.314 48.845 ( 1.132 1.132 0.000) 1.601 48.847 ( 1.048 1.048 0.000) 1.483 50.742 ( 5.216 5.216 0.000) 7.377 50.862 ( -1.555 -1.555 0.000) 2.199 51.093 ( 1.295 1.295 0.000) 1.831 51.134 ( -0.648 -0.648 0.000) 0.917 53.710 ( 4.275 4.275 0.000) 6.046 53.733 ( 3.342 3.342 0.000) 4.727 ======================= Grid point 31 (14/45) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -6.863 -9.327 0.000) 11.580 1.640 ( 6.863 -9.327 0.000) 11.580 2.697 ( -2.791 10.942 0.000) 11.293 2.697 ( 2.791 10.942 0.000) 11.293 3.023 ( -6.310 15.222 0.000) 16.478 3.023 ( 6.310 15.222 0.000) 16.478 3.056 ( -4.185 3.004 0.000) 5.152 3.056 ( 4.185 3.004 0.000) 5.152 3.293 ( -9.042 5.898 0.000) 10.795 3.293 ( 9.042 5.898 0.000) 10.795 3.597 ( -1.380 4.987 0.000) 5.174 3.597 ( 1.380 4.987 0.000) 5.174 3.800 ( -6.245 3.718 0.000) 7.268 3.800 ( 6.245 3.718 0.000) 7.268 4.006 ( -12.751 -7.993 0.000) 15.049 4.006 ( 12.751 -7.993 0.000) 15.049 4.103 ( -8.395 -8.788 0.000) 12.153 4.103 ( 8.395 -8.788 0.000) 12.153 4.129 ( -14.757 7.207 0.000) 16.423 4.129 ( 14.757 7.207 0.000) 16.423 4.280 ( -2.821 -9.394 0.000) 9.809 4.280 ( 2.821 -9.394 0.000) 9.809 4.467 ( -1.161 6.749 0.000) 6.848 4.467 ( 1.161 6.749 0.000) 6.848 4.931 ( -19.168 -3.306 0.000) 19.451 4.931 ( 19.168 -3.306 0.000) 19.451 5.196 ( -10.343 -7.026 0.000) 12.504 5.196 ( 10.343 -7.026 0.000) 12.504 5.603 ( -1.402 1.836 0.000) 2.310 5.603 ( 1.402 1.836 0.000) 2.310 5.688 ( -11.522 -5.584 0.000) 12.803 5.688 ( 11.522 -5.584 0.000) 12.803 6.185 ( -8.774 20.571 0.000) 22.364 6.185 ( 8.774 20.571 0.000) 22.364 6.519 ( -6.760 1.655 0.000) 6.959 6.519 ( 6.760 1.655 0.000) 6.959 6.707 ( -5.066 15.371 0.000) 16.184 6.707 ( 5.066 15.371 0.000) 16.184 6.713 ( -13.499 -8.048 0.000) 15.716 6.713 ( 13.499 -8.048 0.000) 15.716 7.645 ( -3.877 -0.566 0.000) 3.918 7.645 ( 3.877 -0.566 0.000) 3.918 7.840 ( -2.523 -3.973 0.000) 4.707 7.840 ( 2.523 -3.973 0.000) 4.707 7.926 ( -19.471 -9.251 0.000) 21.557 7.926 ( 19.471 -9.251 0.000) 21.557 8.175 ( -1.258 -19.668 0.000) 19.708 8.175 ( 1.258 -19.668 0.000) 19.708 9.117 ( -0.465 -0.494 0.000) 0.678 9.117 ( 0.465 -0.494 0.000) 0.678 12.015 ( -0.498 11.614 0.000) 11.625 12.015 ( 0.498 11.614 0.000) 11.625 14.237 ( -1.658 19.847 0.000) 19.916 14.237 ( 1.658 19.847 0.000) 19.916 14.654 ( -1.733 -0.866 0.000) 1.937 14.654 ( 1.733 -0.866 0.000) 1.937 19.118 ( -3.046 -8.053 0.000) 8.610 19.118 ( 3.046 -8.053 0.000) 8.610 19.829 ( -0.868 -28.444 0.000) 28.457 19.829 ( 0.868 -28.444 0.000) 28.457 20.131 ( -5.000 3.345 0.000) 6.016 20.131 ( 5.000 3.345 0.000) 6.016 20.936 ( -4.632 6.900 0.000) 8.310 20.936 ( 4.632 6.900 0.000) 8.310 21.273 ( -2.406 -1.771 0.000) 2.988 21.273 ( 2.406 -1.771 0.000) 2.988 22.390 ( -2.982 -9.372 0.000) 9.835 22.390 ( 2.982 -9.372 0.000) 9.835 23.275 ( -9.524 35.066 0.000) 36.336 23.275 ( 9.524 35.066 0.000) 36.336 23.298 ( -2.050 -1.459 0.000) 2.516 23.298 ( 2.050 -1.459 0.000) 2.516 23.933 ( -19.789 1.395 0.000) 19.838 23.933 ( 19.789 1.395 0.000) 19.838 24.375 ( -17.838 0.188 0.000) 17.839 24.375 ( 17.838 0.188 0.000) 17.839 24.835 ( -4.309 -14.279 0.000) 14.915 24.835 ( 4.309 -14.279 0.000) 14.915 25.208 ( -4.181 7.863 0.000) 8.905 25.208 ( 4.181 7.863 0.000) 8.905 25.552 ( -5.422 5.329 0.000) 7.603 25.552 ( 5.422 5.329 0.000) 7.603 25.754 ( -4.056 -15.258 0.000) 15.788 25.754 ( 4.056 -15.258 0.000) 15.788 26.134 ( -3.685 6.404 0.000) 7.389 26.134 ( 3.685 6.404 0.000) 7.389 26.854 ( -5.483 -9.866 0.000) 11.288 26.854 ( 5.483 -9.866 0.000) 11.288 27.916 ( -11.418 8.940 0.000) 14.502 27.916 ( 11.418 8.940 0.000) 14.502 28.094 ( -3.719 6.082 0.000) 7.129 28.094 ( 3.719 6.082 0.000) 7.129 28.227 ( -2.870 -0.453 0.000) 2.905 28.227 ( 2.870 -0.453 0.000) 2.905 28.900 ( -2.760 1.363 0.000) 3.078 28.900 ( 2.760 1.363 0.000) 3.078 29.024 ( -4.889 -4.119 0.000) 6.393 29.024 ( 4.889 -4.119 0.000) 6.393 29.732 ( -3.857 4.103 0.000) 5.631 29.732 ( 3.857 4.103 0.000) 5.631 30.088 ( -9.204 -8.738 0.000) 12.692 30.088 ( 9.204 -8.738 0.000) 12.692 30.522 ( -1.625 -0.951 0.000) 1.883 30.522 ( 1.625 -0.951 0.000) 1.883 37.037 ( -10.154 0.422 0.000) 10.163 37.037 ( 10.154 0.422 0.000) 10.163 37.413 ( -0.539 -3.166 0.000) 3.211 37.413 ( 0.539 -3.166 0.000) 3.211 38.621 ( -0.585 -3.284 0.000) 3.336 38.621 ( 0.585 -3.284 0.000) 3.336 41.296 ( -0.020 19.691 0.000) 19.691 41.296 ( 0.020 19.691 0.000) 19.691 42.241 ( -11.037 -4.434 0.000) 11.894 42.241 ( 11.037 -4.434 0.000) 11.894 42.507 ( -0.496 0.830 0.000) 0.967 42.507 ( 0.496 0.830 0.000) 0.967 43.265 ( -16.651 -11.019 0.000) 19.967 43.265 ( 16.651 -11.019 0.000) 19.967 43.480 ( -7.949 1.660 0.000) 8.120 43.480 ( 7.949 1.660 0.000) 8.120 43.856 ( -5.704 -2.900 0.000) 6.398 43.856 ( 5.704 -2.900 0.000) 6.398 44.244 ( -10.947 -8.760 0.000) 14.020 44.244 ( 10.947 -8.760 0.000) 14.020 48.857 ( -0.061 1.250 0.000) 1.251 48.857 ( 0.061 1.250 0.000) 1.251 50.818 ( -2.990 1.415 0.000) 3.308 50.818 ( 2.990 1.415 0.000) 3.308 51.118 ( -1.116 -0.295 0.000) 1.154 51.118 ( 1.116 -0.295 0.000) 1.154 53.760 ( -0.678 4.067 0.000) 4.123 53.760 ( 0.678 4.067 0.000) 4.123 ======================= Grid point 44 (15/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 2.827 ( -0.000 -0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.310 ( -0.000 -0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.834 ( -0.000 -0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.976 ( -0.000 -0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 0.000) 0.000 5.084 ( -0.000 -0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.620 ( -0.000 -0.000 0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 6.474 ( -0.000 -0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 6.559 ( -0.000 -0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 6.568 ( -0.000 -0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 7.629 ( -0.000 -0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 9.113 ( 0.000 0.000 0.000) 0.000 9.113 ( 0.000 0.000 0.000) 0.000 12.129 ( 0.000 0.000 0.000) 0.000 12.129 ( 0.000 0.000 0.000) 0.000 14.403 ( 0.000 0.000 0.000) 0.000 14.403 ( 0.000 0.000 0.000) 0.000 14.698 ( 0.000 0.000 0.000) 0.000 14.698 ( 0.000 0.000 0.000) 0.000 18.978 ( 0.000 0.000 0.000) 0.000 18.978 ( 0.000 0.000 0.000) 0.000 19.589 ( 0.000 0.000 0.000) 0.000 19.589 ( 0.000 0.000 0.000) 0.000 20.165 ( 0.000 0.000 0.000) 0.000 20.165 ( 0.000 0.000 0.000) 0.000 21.014 ( 0.000 0.000 0.000) 0.000 21.014 ( 0.000 0.000 0.000) 0.000 21.255 ( 0.000 0.000 0.000) 0.000 21.255 ( 0.000 0.000 0.000) 0.000 22.286 ( -0.000 -0.000 0.000) 0.000 22.286 ( 0.000 0.000 0.000) 0.000 23.283 ( 0.000 0.000 0.000) 0.000 23.283 ( 0.000 0.000 0.000) 0.000 23.748 ( -0.000 -0.000 0.000) 0.000 23.748 ( 0.000 0.000 0.000) 0.000 23.865 ( 0.000 0.000 0.000) 0.000 23.865 ( 0.000 0.000 0.000) 0.000 24.396 ( -0.000 -0.000 0.000) 0.000 24.396 ( 0.000 0.000 0.000) 0.000 24.638 ( 0.000 0.000 0.000) 0.000 24.638 ( 0.000 0.000 0.000) 0.000 25.275 ( 0.000 0.000 0.000) 0.000 25.275 ( 0.000 0.000 0.000) 0.000 25.595 ( 0.000 0.000 0.000) 0.000 25.595 ( 0.000 0.000 0.000) 0.000 25.613 ( -0.000 -0.000 0.000) 0.000 25.613 ( 0.000 0.000 0.000) 0.000 26.210 ( 0.000 0.000 0.000) 0.000 26.210 ( 0.000 0.000 0.000) 0.000 26.743 ( 0.000 0.000 0.000) 0.000 26.743 ( 0.000 0.000 0.000) 0.000 28.007 ( 0.000 0.000 0.000) 0.000 28.007 ( 0.000 0.000 0.000) 0.000 28.176 ( -0.000 -0.000 0.000) 0.000 28.176 ( 0.000 0.000 0.000) 0.000 28.199 ( -0.000 -0.000 0.000) 0.000 28.199 ( 0.000 0.000 0.000) 0.000 28.937 ( -0.000 -0.000 0.000) 0.000 28.937 ( 0.000 0.000 0.000) 0.000 28.959 ( 0.000 0.000 0.000) 0.000 28.959 ( 0.000 0.000 0.000) 0.000 29.799 ( 0.000 0.000 0.000) 0.000 29.799 ( 0.000 0.000 0.000) 0.000 29.970 ( -0.000 -0.000 0.000) 0.000 29.970 ( 0.000 0.000 0.000) 0.000 30.515 ( 0.000 0.000 0.000) 0.000 30.515 ( 0.000 0.000 0.000) 0.000 37.042 ( 0.000 0.000 0.000) 0.000 37.042 ( 0.000 0.000 0.000) 0.000 37.381 ( 0.000 0.000 0.000) 0.000 37.381 ( 0.000 0.000 0.000) 0.000 38.590 ( 0.000 0.000 0.000) 0.000 38.590 ( 0.000 0.000 0.000) 0.000 41.518 ( 0.000 0.000 0.000) 0.000 41.518 ( 0.000 0.000 0.000) 0.000 42.176 ( -0.000 -0.000 0.000) 0.000 42.176 ( 0.000 0.000 0.000) 0.000 42.516 ( 0.000 0.000 0.000) 0.000 42.516 ( 0.000 0.000 0.000) 0.000 43.149 ( -0.000 -0.000 0.000) 0.000 43.149 ( 0.000 0.000 0.000) 0.000 43.485 ( 0.000 0.000 0.000) 0.000 43.485 ( 0.000 0.000 0.000) 0.000 43.853 ( 0.000 0.000 0.000) 0.000 43.853 ( 0.000 0.000 0.000) 0.000 44.143 ( -0.000 -0.000 0.000) 0.000 44.143 ( 0.000 0.000 0.000) 0.000 48.869 ( 0.000 0.000 0.000) 0.000 48.869 ( 0.000 0.000 0.000) 0.000 50.829 ( 0.000 0.000 0.000) 0.000 50.829 ( 0.000 0.000 0.000) 0.000 51.117 ( 0.000 0.000 0.000) 0.000 51.117 ( 0.000 0.000 0.000) 0.000 53.801 ( 0.000 0.000 0.000) 0.000 53.801 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 81 (16/45) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.000 0.000 39.166) 39.166 0.787 ( 0.000 0.000 39.166) 39.166 1.286 ( -0.000 0.000 64.442) 64.442 2.037 ( 0.000 0.000 2.325) 2.325 2.148 ( 0.000 0.000 3.774) 3.774 2.148 ( 0.000 0.000 3.774) 3.774 2.225 ( 0.000 0.000 -2.102) 2.102 2.948 ( 0.000 -0.000 -2.569) 2.569 2.948 ( 0.000 0.000 -2.569) 2.569 3.008 ( 0.000 0.000 -4.325) 4.325 3.008 ( -0.000 -0.000 -4.325) 4.325 3.570 ( -0.000 -0.000 5.028) 5.028 3.635 ( 0.000 0.000 0.159) 0.159 3.720 ( -0.000 0.000 1.720) 1.720 3.816 ( -0.000 -0.000 -0.278) 0.278 3.816 ( -0.000 0.000 -0.278) 0.278 3.871 ( 0.000 0.000 -11.348) 11.348 4.010 ( 0.000 -0.000 -9.586) 9.586 4.010 ( 0.000 0.000 -9.586) 9.586 4.389 ( 0.000 0.000 9.073) 9.073 4.389 ( 0.000 0.000 9.073) 9.073 4.614 ( 0.000 0.000 0.724) 0.724 4.719 ( 0.000 0.000 -3.332) 3.332 4.742 ( 0.000 0.000 0.837) 0.837 4.742 ( -0.000 -0.000 0.837) 0.837 4.788 ( 0.000 0.000 -33.191) 33.191 5.169 ( 0.000 0.000 12.052) 12.052 5.169 ( 0.000 0.000 12.052) 12.052 5.189 ( 0.000 0.000 14.031) 14.031 5.496 ( -0.000 0.000 -0.925) 0.925 5.496 ( 0.000 0.000 -0.925) 0.925 5.743 ( -0.000 0.000 1.960) 1.960 5.775 ( 0.000 0.000 8.500) 8.500 6.206 ( 0.000 0.000 3.416) 3.416 6.206 ( 0.000 0.000 3.416) 3.416 6.433 ( -0.000 -0.000 -21.925) 21.925 6.706 ( -0.000 0.000 3.831) 3.831 6.791 ( -0.000 -0.000 -6.850) 6.850 6.791 ( 0.000 0.000 -6.850) 6.850 7.094 ( 0.000 0.000 -3.983) 3.983 7.636 ( 0.000 0.000 19.423) 19.423 8.487 ( -0.000 -0.000 23.305) 23.305 8.487 ( -0.000 -0.000 23.305) 23.305 8.547 ( 0.000 0.000 -7.214) 7.214 8.809 ( 0.000 0.000 12.788) 12.788 9.012 ( -0.000 0.000 3.544) 3.544 9.012 ( -0.000 0.000 3.544) 3.544 9.195 ( 0.000 0.000 -3.304) 3.304 9.195 ( -0.000 -0.000 -3.304) 3.304 9.634 ( 0.000 0.000 -7.659) 7.659 10.219 ( 0.000 0.000 -11.171) 11.171 10.219 ( 0.000 0.000 -11.171) 11.171 13.364 ( 0.000 0.000 -2.784) 2.784 13.364 ( 0.000 0.000 -2.784) 2.784 13.556 ( 0.000 0.000 -6.590) 6.590 13.556 ( -0.000 0.000 -6.590) 6.590 20.361 ( 0.000 -0.000 1.122) 1.122 20.591 ( -0.000 0.000 6.415) 6.415 20.591 ( 0.000 0.000 6.415) 6.415 20.622 ( 0.000 0.000 0.779) 0.779 20.669 ( 0.000 0.000 -9.765) 9.765 20.832 ( 0.000 0.000 -8.814) 8.814 21.141 ( -0.000 0.000 -6.704) 6.704 21.141 ( 0.000 0.000 -6.704) 6.704 21.470 ( -0.000 0.000 20.994) 20.994 21.496 ( -0.000 0.000 17.843) 17.843 21.727 ( 0.000 0.000 5.613) 5.613 21.754 ( -0.000 0.000 -1.090) 1.090 22.486 ( 0.000 -0.000 -8.441) 8.441 23.043 ( 0.000 0.000 -14.059) 14.059 23.241 ( -0.000 0.000 2.841) 2.841 23.241 ( -0.000 0.000 2.841) 2.841 23.599 ( 0.000 -0.000 -6.295) 6.295 23.599 ( -0.000 0.000 -6.295) 6.295 24.005 ( 0.000 0.000 1.465) 1.465 24.124 ( 0.000 0.000 4.785) 4.785 24.124 ( 0.000 0.000 4.785) 4.785 24.264 ( -0.000 -0.000 -3.908) 3.908 24.403 ( 0.000 0.000 -2.347) 2.347 24.403 ( 0.000 -0.000 -2.347) 2.347 25.915 ( -0.000 0.000 0.494) 0.494 25.915 ( 0.000 -0.000 0.494) 0.494 25.997 ( 0.000 -0.000 -1.491) 1.491 25.997 ( 0.000 0.000 -1.491) 1.491 26.280 ( 0.000 0.000 5.609) 5.609 26.559 ( -0.000 0.000 3.046) 3.046 26.749 ( -0.000 0.000 -1.533) 1.533 27.040 ( 0.000 0.000 -14.824) 14.824 27.432 ( -0.000 -0.000 5.787) 5.787 27.432 ( 0.000 0.000 5.787) 5.787 27.854 ( 0.000 0.000 -4.386) 4.386 27.854 ( 0.000 0.000 -4.386) 4.386 27.876 ( 0.000 0.000 1.163) 1.163 27.998 ( -0.000 -0.000 -1.751) 1.751 28.419 ( 0.000 0.000 8.949) 8.949 28.807 ( -0.000 -0.000 -2.448) 2.448 29.416 ( 0.000 0.000 3.229) 3.229 29.655 ( 0.000 0.000 -2.419) 2.419 29.805 ( 0.000 0.000 4.539) 4.539 29.805 ( -0.000 -0.000 4.539) 4.539 30.216 ( 0.000 0.000 -5.154) 5.154 30.216 ( 0.000 0.000 -5.154) 5.154 30.326 ( 0.000 0.000 1.447) 1.447 30.430 ( 0.000 0.000 -1.035) 1.035 36.033 ( 0.000 0.000 13.261) 13.261 37.618 ( 0.000 0.000 -33.943) 33.943 38.578 ( -0.000 0.000 13.052) 13.052 38.578 ( 0.000 0.000 13.052) 13.052 38.994 ( 0.000 0.000 28.104) 28.104 39.845 ( 0.000 -0.000 -18.236) 18.236 39.845 ( 0.000 0.000 -18.236) 18.236 40.077 ( 0.000 0.000 -7.383) 7.383 41.624 ( 0.000 0.000 4.651) 4.651 42.207 ( -0.000 0.000 -12.938) 12.938 42.573 ( 0.000 0.000 12.930) 12.930 42.573 ( -0.000 -0.000 12.930) 12.930 42.801 ( -0.000 0.000 12.093) 12.093 43.315 ( 0.000 0.000 -3.867) 3.867 43.351 ( 0.000 0.000 -6.864) 6.864 43.351 ( 0.000 0.000 -6.864) 6.864 45.679 ( -0.000 -0.000 0.135) 0.135 45.714 ( 0.000 0.000 -0.706) 0.706 46.441 ( 0.000 0.000 0.695) 0.695 46.480 ( 0.000 0.000 -0.219) 0.219 48.738 ( 0.000 -0.000 0.038) 0.038 48.738 ( -0.000 0.000 0.038) 0.038 48.741 ( -0.000 -0.000 -0.044) 0.044 48.741 ( 0.000 0.000 -0.044) 0.044 50.996 ( 0.000 0.000 0.896) 0.896 51.076 ( -0.000 0.000 -0.987) 0.987 53.397 ( 0.000 0.000 0.474) 0.474 53.438 ( 0.000 0.000 -0.484) 0.484 ======================= Grid point 82 (17/45) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 17.720 0.000 26.213) 31.641 1.040 ( 22.761 0.000 28.277) 36.300 1.806 ( 38.221 0.000 47.887) 61.270 2.064 ( 2.949 0.000 1.992) 3.559 2.148 ( 1.136 0.000 4.135) 4.288 2.238 ( 8.369 0.000 5.007) 9.752 2.248 ( 2.423 0.000 -0.712) 2.525 2.915 ( -3.605 0.000 -4.296) 5.608 3.033 ( 3.096 0.000 -6.375) 7.087 3.072 ( 5.036 0.000 -7.383) 8.937 3.088 ( 9.492 0.000 -3.948) 10.280 3.512 ( -5.187 0.000 5.778) 7.765 3.607 ( -6.206 0.000 -2.760) 6.792 3.698 ( -6.326 0.000 1.051) 6.413 3.708 ( -0.345 0.000 0.868) 0.934 3.806 ( -1.882 0.000 -0.187) 1.891 3.940 ( 8.051 0.000 -1.954) 8.284 3.976 ( -0.090 0.000 -7.177) 7.177 4.083 ( 4.615 0.000 -6.971) 8.360 4.287 ( -6.793 0.000 6.230) 9.218 4.410 ( 0.789 0.000 6.740) 6.786 4.629 ( 1.642 0.000 2.516) 3.004 4.778 ( 2.296 0.000 3.482) 4.171 4.806 ( 4.693 0.000 -24.517) 24.962 4.846 ( 7.294 0.000 -0.063) 7.294 4.894 ( 8.112 0.000 -10.601) 13.349 5.059 ( -6.236 0.000 9.561) 11.415 5.219 ( -3.692 0.000 11.785) 12.350 5.240 ( 7.231 0.000 9.982) 12.326 5.477 ( -1.140 0.000 -0.005) 1.140 5.530 ( -1.428 0.000 5.362) 5.549 5.568 ( 2.149 0.000 5.028) 5.468 5.771 ( 0.845 0.000 5.346) 5.412 6.175 ( -3.812 0.000 3.022) 4.865 6.248 ( 1.521 0.000 1.648) 2.242 6.354 ( -7.115 0.000 -20.446) 21.649 6.601 ( -8.952 0.000 1.943) 9.161 6.689 ( -2.320 0.000 3.848) 4.493 6.769 ( -1.835 0.000 -7.317) 7.544 7.160 ( -1.775 0.000 -10.626) 10.774 7.552 ( -6.342 0.000 20.806) 21.751 8.285 ( -10.740 0.000 6.785) 12.704 8.538 ( -3.609 0.000 20.027) 20.350 8.739 ( 1.924 0.000 13.026) 13.167 8.782 ( 12.888 0.000 9.260) 15.870 8.888 ( -12.741 0.000 4.813) 13.620 9.057 ( -9.648 0.000 -3.048) 10.118 9.077 ( -1.395 0.000 -0.714) 1.567 9.195 ( -0.176 0.000 -2.130) 2.137 9.489 ( -10.783 0.000 -2.824) 11.146 10.343 ( 12.077 0.000 -12.312) 17.247 10.410 ( 17.392 0.000 -12.499) 21.418 13.342 ( -2.472 0.000 -2.566) 3.563 13.455 ( 3.286 0.000 -4.533) 5.599 13.594 ( 10.140 0.000 -4.353) 11.034 13.679 ( 13.250 0.000 -5.779) 14.456 20.098 ( -13.063 0.000 3.470) 13.516 20.524 ( -6.517 0.000 -9.345) 11.393 20.588 ( -4.405 0.000 -2.024) 4.847 20.719 ( 0.382 0.000 -3.315) 3.337 20.932 ( 8.843 0.000 -3.532) 9.522 20.994 ( 4.349 0.000 -8.605) 9.642 21.290 ( -7.617 0.000 6.343) 9.912 21.422 ( 2.303 0.000 8.158) 8.477 21.498 ( 9.085 0.000 -2.457) 9.412 21.557 ( 6.409 0.000 -3.778) 7.440 21.567 ( -2.715 0.000 15.304) 15.543 21.736 ( 15.881 0.000 -0.682) 15.896 22.252 ( -15.677 0.000 -4.532) 16.319 22.786 ( -26.396 0.000 22.967) 34.989 23.042 ( 0.617 0.000 -14.402) 14.415 23.267 ( 2.776 0.000 2.443) 3.698 23.594 ( 0.737 0.000 -6.038) 6.083 23.626 ( -3.107 0.000 -8.692) 9.231 23.748 ( -2.398 0.000 -0.211) 2.407 24.071 ( 13.387 0.000 -13.054) 18.698 24.236 ( 0.604 0.000 2.318) 2.396 24.325 ( 1.849 0.000 -6.607) 6.861 24.737 ( 24.427 0.000 1.318) 24.463 24.901 ( 20.193 0.000 -0.370) 20.196 25.822 ( -10.478 0.000 2.341) 10.736 25.854 ( -7.263 0.000 -0.040) 7.263 25.896 ( -2.119 0.000 6.025) 6.387 26.017 ( 4.158 0.000 -1.242) 4.339 26.271 ( -1.117 0.000 6.511) 6.606 26.601 ( 3.694 0.000 2.654) 4.548 26.750 ( -1.957 0.000 -0.215) 1.969 27.044 ( 0.716 0.000 -13.441) 13.460 27.431 ( 0.129 0.000 5.697) 5.698 27.459 ( 3.464 0.000 3.149) 4.682 27.852 ( -0.377 0.000 -4.320) 4.336 27.864 ( 0.921 0.000 -4.903) 4.989 28.050 ( 4.904 0.000 -0.526) 4.933 28.390 ( -1.810 0.000 8.320) 8.515 28.658 ( 42.619 0.000 -43.763) 61.087 28.815 ( 0.788 0.000 -2.559) 2.677 29.342 ( -6.444 0.000 3.389) 7.281 29.594 ( -5.074 0.000 -2.627) 5.714 29.760 ( -6.176 0.000 4.261) 7.503 29.800 ( -1.625 0.000 3.664) 4.008 30.120 ( -4.475 0.000 -2.705) 5.229 30.220 ( 0.880 0.000 -5.334) 5.406 30.445 ( 8.095 0.000 -1.074) 8.166 30.471 ( 3.832 0.000 -0.869) 3.929 36.089 ( 5.956 0.000 11.941) 13.344 37.539 ( -7.448 0.000 -30.377) 31.277 38.574 ( -3.997 0.000 16.433) 16.912 38.600 ( -0.432 0.000 14.273) 14.279 38.903 ( -6.963 0.000 23.118) 24.143 39.293 ( -43.114 0.000 31.231) 53.237 39.876 ( 3.075 0.000 -18.441) 18.696 39.908 ( 3.654 0.000 -16.947) 17.337 41.682 ( 5.976 0.000 4.693) 7.598 42.271 ( 6.593 0.000 -12.932) 14.516 42.590 ( 1.504 0.000 13.017) 13.104 42.608 ( 1.552 0.000 12.434) 12.530 42.854 ( 5.209 0.000 11.483) 12.609 43.273 ( -6.419 0.000 3.784) 7.451 43.331 ( 1.498 0.000 -4.721) 4.953 43.417 ( 7.327 0.000 -5.644) 9.249 44.649 ( -39.509 0.000 27.828) 48.326 45.465 ( -22.206 0.000 -4.198) 22.600 46.050 ( -35.001 0.000 1.525) 35.034 46.217 ( -18.096 0.000 -3.523) 18.436 48.743 ( 0.356 0.000 0.014) 0.356 48.744 ( 0.470 0.000 -0.013) 0.470 49.197 ( 38.123 0.000 2.452) 38.201 50.073 ( 55.478 0.000 -44.413) 71.065 50.994 ( 0.240 0.000 0.626) 0.670 51.081 ( 0.535 0.000 -1.113) 1.235 53.406 ( 1.534 0.000 -0.065) 1.535 53.440 ( 0.376 0.000 -0.481) 0.611 ======================= Grid point 83 (18/45) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 31.040 0.000 7.313) 31.890 1.531 ( 26.663 0.000 16.309) 31.255 2.109 ( 0.485 0.000 6.138) 6.157 2.135 ( 3.682 0.000 2.105) 4.241 2.306 ( 3.723 0.000 0.430) 3.748 2.432 ( 11.199 0.000 7.868) 13.687 2.588 ( 33.764 0.000 27.072) 43.277 2.807 ( -7.554 0.000 -8.706) 11.526 3.078 ( -5.883 0.000 -6.524) 8.785 3.115 ( 5.124 0.000 -4.845) 7.052 3.232 ( 3.873 0.000 -1.586) 4.185 3.427 ( -2.279 0.000 6.694) 7.071 3.504 ( 0.642 0.000 -1.018) 1.204 3.702 ( -1.458 0.000 -1.897) 2.392 3.713 ( 2.471 0.000 4.660) 5.274 3.754 ( -1.702 0.000 0.593) 1.802 3.907 ( 4.728 0.000 -3.060) 5.632 4.170 ( -5.097 0.000 2.911) 5.870 4.193 ( 7.165 0.000 -4.407) 8.411 4.267 ( 16.885 0.000 -0.913) 16.910 4.377 ( -4.639 0.000 1.766) 4.964 4.651 ( -0.316 0.000 3.642) 3.656 4.695 ( -8.727 0.000 14.581) 16.993 4.829 ( -3.613 0.000 -13.385) 13.864 4.877 ( -3.431 0.000 1.842) 3.894 5.019 ( 4.909 0.000 -7.317) 8.811 5.077 ( 3.381 0.000 2.633) 4.285 5.140 ( 1.612 0.000 2.726) 3.167 5.389 ( 4.176 0.000 0.800) 4.252 5.490 ( 4.002 0.000 0.121) 4.004 5.545 ( 3.837 0.000 9.622) 10.359 5.724 ( 7.592 0.000 1.890) 7.823 5.865 ( 9.345 0.000 1.782) 9.513 6.006 ( -14.027 0.000 -3.148) 14.376 6.278 ( 1.692 0.000 -10.360) 10.497 6.296 ( 5.581 0.000 0.098) 5.582 6.478 ( -4.584 0.000 0.635) 4.628 6.571 ( -9.395 0.000 0.302) 9.400 6.762 ( 0.613 0.000 -5.195) 5.231 7.046 ( -8.593 0.000 -9.585) 12.873 7.472 ( -1.397 0.000 18.249) 18.302 8.084 ( -10.954 0.000 4.506) 11.845 8.319 ( -13.130 0.000 13.526) 18.851 8.565 ( -19.193 0.000 9.647) 21.481 8.694 ( -23.392 0.000 -3.001) 23.584 8.925 ( 11.809 0.000 12.818) 17.428 8.939 ( -0.137 0.000 13.332) 13.332 9.087 ( 0.074 0.000 -2.564) 2.565 9.186 ( -0.687 0.000 -0.909) 1.139 9.311 ( -5.708 0.000 -0.558) 5.735 10.630 ( 16.480 0.000 -13.489) 21.297 10.770 ( 17.954 0.000 -14.449) 23.046 13.278 ( -3.643 0.000 -2.885) 4.647 13.412 ( -4.727 0.000 -6.400) 7.957 14.005 ( 28.918 0.000 -1.539) 28.959 14.056 ( 25.480 0.000 -3.253) 25.687 19.955 ( -2.252 0.000 4.153) 4.724 20.309 ( -33.359 0.000 -4.159) 33.617 20.451 ( -8.964 0.000 0.654) 8.988 20.551 ( -16.062 0.000 -1.843) 16.167 20.608 ( -46.810 0.000 -4.512) 47.027 20.681 ( -6.900 0.000 -5.430) 8.781 21.206 ( 8.120 0.000 2.859) 8.609 21.358 ( 8.855 0.000 -4.203) 9.802 21.507 ( 1.653 0.000 21.546) 21.609 21.570 ( -0.179 0.000 8.185) 8.187 22.054 ( 5.957 0.000 6.028) 8.475 22.087 ( -2.692 0.000 -0.987) 2.867 22.201 ( 34.392 0.000 -3.847) 34.606 22.636 ( 9.549 0.000 7.270) 12.001 23.072 ( 2.343 0.000 -16.147) 16.316 23.351 ( 6.243 0.000 1.456) 6.411 23.495 ( -6.467 0.000 -10.351) 12.205 23.609 ( 0.984 0.000 -4.116) 4.232 23.897 ( 11.810 0.000 -0.451) 11.819 24.213 ( 0.755 0.000 -1.621) 1.789 24.228 ( -0.731 0.000 1.581) 1.742 24.433 ( 6.341 0.000 -18.155) 19.231 25.124 ( 15.272 0.000 1.594) 15.355 25.196 ( 13.061 0.000 5.435) 14.146 25.621 ( -10.673 0.000 -0.537) 10.686 25.673 ( -10.768 0.000 -0.434) 10.777 25.878 ( 0.727 0.000 11.612) 11.635 26.160 ( 9.550 0.000 -0.167) 9.552 26.238 ( -1.455 0.000 7.562) 7.701 26.681 ( 5.043 0.000 0.826) 5.110 26.683 ( -4.597 0.000 -0.041) 4.597 27.087 ( 4.020 0.000 -12.944) 13.554 27.441 ( 0.872 0.000 5.463) 5.532 27.530 ( 3.240 0.000 0.189) 3.245 27.831 ( -2.000 0.000 -4.218) 4.668 27.879 ( -0.086 0.000 -6.484) 6.484 28.157 ( 5.531 0.000 2.370) 6.017 28.320 ( -4.952 0.000 12.130) 13.102 28.840 ( 2.072 0.000 -2.824) 3.503 29.100 ( 6.530 0.000 -26.391) 27.187 29.217 ( -5.857 0.000 3.609) 6.880 29.518 ( -1.731 0.000 -5.897) 6.146 29.562 ( -13.072 0.000 4.496) 13.823 29.730 ( -5.158 0.000 1.311) 5.322 30.105 ( 2.280 0.000 -4.948) 5.448 30.247 ( 1.403 0.000 -5.680) 5.851 30.560 ( 5.109 0.000 -0.443) 5.128 30.589 ( 6.548 0.000 -1.579) 6.736 36.260 ( 11.787 0.000 7.392) 13.913 37.364 ( -10.476 0.000 -25.024) 27.128 38.295 ( -19.384 0.000 31.017) 36.576 38.424 ( -16.469 0.000 25.256) 30.151 38.873 ( 3.091 0.000 7.879) 8.463 38.943 ( -1.711 0.000 9.946) 10.092 39.952 ( 4.635 0.000 -19.068) 19.623 39.999 ( 4.993 0.000 -19.063) 19.706 41.847 ( 11.151 0.000 4.774) 12.130 42.446 ( 10.795 0.000 -11.890) 16.059 42.615 ( 0.826 0.000 12.673) 12.700 42.621 ( 0.164 0.000 13.065) 13.066 42.940 ( 0.723 0.000 7.696) 7.730 43.201 ( 2.915 0.000 11.505) 11.868 43.359 ( 0.945 0.000 -5.449) 5.530 43.642 ( 16.316 0.000 -3.935) 16.784 44.268 ( -8.451 0.000 1.476) 8.579 44.891 ( -34.424 0.000 -12.402) 36.590 45.392 ( -32.760 0.000 7.817) 33.680 45.762 ( -28.490 0.000 -3.910) 28.757 48.752 ( 0.526 0.000 0.050) 0.528 48.755 ( 0.560 0.000 -0.016) 0.560 49.914 ( 33.347 0.000 4.129) 33.602 50.648 ( 12.445 0.000 -16.218) 20.443 51.032 ( 4.276 0.000 -2.840) 5.133 51.099 ( 1.384 0.000 -1.424) 1.986 53.454 ( 3.060 0.000 -0.982) 3.214 53.457 ( 1.464 0.000 -0.402) 1.518 ======================= Grid point 84 (19/45) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 22.040 0.000 12.330) 25.255 1.998 ( 20.129 0.000 7.334) 21.423 2.137 ( 4.938 0.000 -3.281) 5.929 2.175 ( 0.585 0.000 5.488) 5.519 2.361 ( 1.342 0.000 0.889) 1.610 2.575 ( -3.648 0.000 12.303) 12.832 2.704 ( 3.835 0.000 -12.183) 12.772 2.973 ( -1.998 0.000 0.721) 2.124 2.980 ( 3.177 0.000 -3.280) 4.567 3.139 ( -3.229 0.000 2.400) 4.023 3.346 ( 10.208 0.000 14.022) 17.344 3.386 ( 0.111 0.000 -1.875) 1.878 3.540 ( 0.806 0.000 -5.923) 5.978 3.632 ( -6.698 0.000 -2.475) 7.141 3.769 ( 9.201 0.000 -4.533) 10.257 3.849 ( 5.673 0.000 4.945) 7.525 4.036 ( -7.175 0.000 6.400) 9.615 4.193 ( 21.783 0.000 1.496) 21.835 4.230 ( -10.189 0.000 -0.433) 10.198 4.342 ( 6.879 0.000 1.644) 7.073 4.451 ( -1.461 0.000 0.639) 1.594 4.620 ( -2.242 0.000 -1.310) 2.597 4.657 ( 4.129 0.000 7.475) 8.540 4.709 ( -6.535 0.000 -2.076) 6.857 4.842 ( 4.297 0.000 3.293) 5.414 5.091 ( 2.462 0.000 -6.041) 6.523 5.118 ( 5.142 0.000 0.834) 5.209 5.210 ( 1.039 0.000 2.346) 2.566 5.328 ( -8.030 0.000 -3.094) 8.605 5.579 ( 1.348 0.000 5.383) 5.550 5.655 ( 4.556 0.000 10.808) 11.729 5.689 ( -17.276 0.000 2.181) 17.413 5.809 ( 5.053 0.000 0.756) 5.110 6.072 ( 9.195 0.000 -0.852) 9.234 6.311 ( -6.992 0.000 0.969) 7.059 6.403 ( -3.237 0.000 1.553) 3.590 6.498 ( 13.469 0.000 -3.204) 13.844 6.524 ( 13.706 0.000 -6.070) 14.990 6.758 ( -1.054 0.000 -4.408) 4.532 6.880 ( -7.611 0.000 -8.935) 11.737 7.454 ( -2.589 0.000 1.474) 2.980 7.831 ( -17.162 0.000 -2.017) 17.280 8.134 ( -6.231 0.000 7.701) 9.906 8.257 ( -18.705 0.000 3.751) 19.077 8.275 ( -5.883 0.000 20.279) 21.115 8.741 ( -16.528 0.000 10.097) 19.368 9.110 ( 5.818 0.000 6.142) 8.460 9.111 ( 1.314 0.000 -0.802) 1.540 9.182 ( 1.517 0.000 2.920) 3.290 9.280 ( 0.052 0.000 4.351) 4.351 10.918 ( 12.585 0.000 -13.789) 18.669 11.031 ( 8.403 0.000 -14.994) 17.188 13.225 ( -1.451 0.000 -3.874) 4.137 13.313 ( -5.141 0.000 -6.192) 8.048 14.579 ( 25.902 0.000 -0.930) 25.919 14.580 ( 27.421 0.000 -0.712) 27.430 19.506 ( -36.547 0.000 0.712) 36.554 19.655 ( -42.846 0.000 -2.830) 42.940 19.997 ( 4.825 0.000 4.440) 6.557 20.303 ( -8.596 0.000 1.835) 8.790 20.462 ( 0.167 0.000 -6.433) 6.435 20.590 ( -4.849 0.000 -5.932) 7.662 21.375 ( 7.814 0.000 4.004) 8.780 21.493 ( 4.704 0.000 -2.868) 5.510 21.542 ( 1.718 0.000 16.615) 16.704 21.557 ( -1.290 0.000 13.251) 13.314 22.059 ( -0.578 0.000 1.294) 1.417 22.068 ( -1.059 0.000 7.927) 7.998 22.728 ( 19.114 0.000 -6.433) 20.167 22.890 ( 10.708 0.000 0.441) 10.717 23.134 ( 4.824 0.000 -17.346) 18.004 23.382 ( -5.802 0.000 -11.086) 12.513 23.503 ( 9.015 0.000 0.634) 9.038 23.637 ( 1.696 0.000 -1.996) 2.619 24.114 ( 8.515 0.000 -1.399) 8.629 24.199 ( -1.278 0.000 -0.229) 1.299 24.232 ( 2.754 0.000 1.172) 2.993 24.465 ( -2.639 0.000 -10.552) 10.877 25.328 ( 6.585 0.000 0.720) 6.624 25.382 ( 5.442 0.000 2.272) 5.897 25.433 ( -7.939 0.000 -1.744) 8.128 25.475 ( -8.863 0.000 -0.295) 8.868 25.938 ( 5.343 0.000 15.459) 16.356 26.157 ( -4.460 0.000 11.705) 12.526 26.384 ( 8.919 0.000 -0.881) 8.963 26.589 ( -4.948 0.000 -0.531) 4.977 26.854 ( 15.001 0.000 -3.848) 15.487 27.188 ( 5.584 0.000 -13.585) 14.688 27.455 ( 0.230 0.000 4.809) 4.814 27.562 ( -0.848 0.000 -1.673) 1.875 27.775 ( -3.667 0.000 -3.795) 5.278 27.809 ( -7.803 0.000 -3.566) 8.579 28.234 ( 2.096 0.000 4.988) 5.411 28.240 ( -1.990 0.000 12.199) 12.361 28.901 ( 4.427 0.000 -2.959) 5.325 29.083 ( -4.314 0.000 -9.021) 10.000 29.136 ( -2.269 0.000 3.911) 4.521 29.315 ( -11.591 0.000 5.045) 12.641 29.524 ( 1.367 0.000 -6.789) 6.925 29.631 ( -4.678 0.000 -1.225) 4.836 30.169 ( 3.674 0.000 -7.143) 8.032 30.257 ( -0.461 0.000 -6.454) 6.470 30.651 ( 4.015 0.000 -0.281) 4.025 30.682 ( 2.973 0.000 -1.153) 3.188 36.528 ( 15.972 0.000 -0.176) 15.973 37.139 ( -13.406 0.000 -19.593) 23.741 38.013 ( -9.394 0.000 27.392) 28.959 38.108 ( -14.070 0.000 27.912) 31.257 38.937 ( 2.725 0.000 4.127) 4.946 38.957 ( 1.266 0.000 4.654) 4.823 40.038 ( 3.889 0.000 -19.676) 20.057 40.074 ( 2.519 0.000 -19.946) 20.104 42.095 ( 14.343 0.000 4.910) 15.160 42.586 ( -2.228 0.000 10.086) 10.329 42.597 ( -1.302 0.000 -0.652) 1.456 42.620 ( -0.127 0.000 11.901) 11.902 42.963 ( 8.198 0.000 -2.114) 8.466 43.343 ( -3.438 0.000 -5.727) 6.680 43.411 ( 16.451 0.000 9.567) 19.031 44.031 ( 23.547 0.000 -3.393) 23.790 44.206 ( 1.427 0.000 -3.821) 4.078 44.268 ( -28.922 0.000 -11.940) 31.290 44.804 ( -27.866 0.000 8.500) 29.134 45.175 ( -31.861 0.000 -3.525) 32.055 48.762 ( 0.411 0.000 0.064) 0.416 48.764 ( 0.328 0.000 0.012) 0.329 50.411 ( 18.577 0.000 3.240) 18.858 50.729 ( -1.039 0.000 -2.719) 2.910 51.126 ( 4.021 0.000 -4.060) 5.714 51.134 ( 2.068 0.000 -1.798) 2.740 53.493 ( 2.030 0.000 -0.341) 2.058 53.506 ( 1.992 0.000 -0.956) 2.209 ======================= Grid point 85 (20/45) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -3.908 0.000 9.231) 10.024 2.096 ( 3.908 0.000 9.231) 10.024 2.309 ( -6.417 0.000 4.572) 7.879 2.309 ( 6.417 0.000 4.572) 7.879 2.383 ( -13.101 0.000 -0.508) 13.111 2.383 ( 13.101 0.000 -0.508) 13.111 2.854 ( -9.779 0.000 -4.103) 10.605 2.854 ( 9.779 0.000 -4.103) 10.605 3.036 ( -6.519 0.000 2.824) 7.104 3.036 ( 6.519 0.000 2.824) 7.104 3.484 ( -7.740 0.000 -5.487) 9.487 3.484 ( 7.740 0.000 -5.487) 9.487 3.507 ( -5.124 0.000 1.294) 5.285 3.507 ( 5.124 0.000 1.294) 5.285 3.910 ( -0.276 0.000 2.215) 2.232 3.910 ( 0.276 0.000 2.215) 2.232 4.018 ( -9.774 0.000 1.577) 9.901 4.018 ( 9.774 0.000 1.577) 9.901 4.412 ( -1.450 0.000 2.983) 3.317 4.412 ( 1.450 0.000 2.983) 3.317 4.539 ( -9.966 0.000 -1.185) 10.036 4.539 ( 9.966 0.000 -1.185) 10.036 4.651 ( -0.737 0.000 3.085) 3.172 4.651 ( 0.737 0.000 3.085) 3.172 5.038 ( -10.916 0.000 -6.124) 12.516 5.038 ( 10.916 0.000 -6.124) 12.516 5.197 ( -0.925 0.000 0.802) 1.224 5.197 ( 0.925 0.000 0.802) 1.224 5.329 ( -15.800 0.000 7.906) 17.668 5.329 ( 15.800 0.000 7.906) 17.668 5.637 ( -2.958 0.000 11.112) 11.499 5.637 ( 2.958 0.000 11.112) 11.499 6.010 ( -12.343 0.000 -4.644) 13.188 6.010 ( 12.343 0.000 -4.644) 13.188 6.319 ( -5.774 0.000 4.459) 7.295 6.319 ( 5.774 0.000 4.459) 7.295 6.697 ( -3.396 0.000 -3.705) 5.026 6.697 ( 3.396 0.000 -3.705) 5.026 6.785 ( -3.843 0.000 -4.436) 5.869 6.785 ( 3.843 0.000 -4.436) 5.869 7.482 ( -12.443 0.000 -12.272) 17.476 7.482 ( 12.443 0.000 -12.272) 17.476 8.069 ( -1.745 0.000 12.777) 12.896 8.069 ( 1.745 0.000 12.777) 12.896 8.413 ( -15.641 0.000 13.768) 20.838 8.413 ( 15.641 0.000 13.768) 20.838 9.131 ( -0.778 0.000 -0.360) 0.857 9.131 ( 0.778 0.000 -0.360) 0.857 9.255 ( -3.235 0.000 6.821) 7.549 9.255 ( 3.235 0.000 6.821) 7.549 11.077 ( -3.413 0.000 -14.331) 14.732 11.077 ( 3.413 0.000 -14.331) 14.732 13.235 ( -2.584 0.000 -5.237) 5.840 13.235 ( 2.584 0.000 -5.237) 5.840 14.872 ( -0.567 0.000 -0.225) 0.610 14.872 ( 0.567 0.000 -0.225) 0.610 19.160 ( -4.351 0.000 -0.984) 4.461 19.160 ( 4.351 0.000 -0.984) 4.461 20.134 ( -8.600 0.000 3.209) 9.180 20.134 ( 8.600 0.000 3.209) 9.180 20.505 ( -3.757 0.000 -6.085) 7.151 20.505 ( 3.757 0.000 -6.085) 7.151 21.490 ( -4.215 0.000 5.116) 6.628 21.490 ( 4.215 0.000 5.116) 6.628 21.557 ( -0.514 0.000 11.165) 11.177 21.557 ( 0.514 0.000 11.165) 11.177 22.055 ( -0.181 0.000 4.061) 4.065 22.055 ( 0.181 0.000 4.061) 4.065 22.943 ( -4.399 0.000 -5.888) 7.350 22.943 ( 4.399 0.000 -5.888) 7.350 23.261 ( -7.064 0.000 -12.423) 14.291 23.261 ( 7.064 0.000 -12.423) 14.291 23.635 ( -3.294 0.000 -0.432) 3.322 23.635 ( 3.294 0.000 -0.432) 3.322 24.177 ( -1.046 0.000 -0.472) 1.147 24.177 ( 1.046 0.000 -0.472) 1.147 24.361 ( -7.576 0.000 -3.750) 8.453 24.361 ( 7.576 0.000 -3.750) 8.453 25.355 ( -0.550 0.000 -1.507) 1.604 25.355 ( 0.550 0.000 -1.507) 1.604 25.419 ( -0.930 0.000 1.120) 1.456 25.419 ( 0.930 0.000 1.120) 1.456 26.054 ( -6.120 0.000 14.742) 15.962 26.054 ( 6.120 0.000 14.742) 15.962 26.500 ( -4.514 0.000 -0.713) 4.570 26.500 ( 4.514 0.000 -0.713) 4.570 27.179 ( -12.053 0.000 -13.580) 18.157 27.179 ( 12.053 0.000 -13.580) 18.157 27.468 ( -3.824 0.000 4.639) 6.012 27.468 ( 3.824 0.000 4.639) 6.012 27.720 ( -0.726 0.000 -1.189) 1.393 27.720 ( 0.726 0.000 -1.189) 1.393 28.240 ( -0.825 0.000 7.356) 7.402 28.240 ( 0.825 0.000 7.356) 7.402 28.997 ( -4.883 0.000 -4.109) 6.382 28.997 ( 4.883 0.000 -4.109) 6.382 29.151 ( -4.695 0.000 4.736) 6.668 29.151 ( 4.695 0.000 4.736) 6.668 29.561 ( -2.652 0.000 -3.853) 4.678 29.561 ( 2.652 0.000 -3.853) 4.678 30.229 ( -2.427 0.000 -7.166) 7.566 30.229 ( 2.427 0.000 -7.166) 7.566 30.701 ( -0.943 0.000 -0.590) 1.112 30.701 ( 0.943 0.000 -0.590) 1.112 36.848 ( -16.722 0.000 -10.338) 19.660 36.848 ( 16.722 0.000 -10.338) 19.660 37.945 ( -2.461 0.000 27.030) 27.142 37.945 ( 2.461 0.000 27.030) 27.142 38.967 ( -0.446 0.000 3.635) 3.662 38.967 ( 0.446 0.000 3.635) 3.662 40.088 ( -1.115 0.000 -20.013) 20.044 40.088 ( 1.115 0.000 -20.013) 20.044 42.374 ( -14.203 0.000 5.310) 15.163 42.374 ( 14.203 0.000 5.310) 15.163 42.614 ( -0.537 0.000 10.395) 10.409 42.614 ( 0.537 0.000 10.395) 10.409 43.196 ( -11.956 0.000 -6.449) 13.584 43.196 ( 11.956 0.000 -6.449) 13.584 43.780 ( -21.920 0.000 -2.617) 22.076 43.780 ( 21.920 0.000 -2.617) 22.076 44.338 ( -10.919 0.000 2.137) 11.126 44.338 ( 10.919 0.000 2.137) 11.126 44.594 ( -25.598 0.000 -2.704) 25.740 44.594 ( 25.598 0.000 -2.704) 25.740 48.766 ( -0.063 0.000 0.047) 0.079 48.766 ( 0.063 0.000 0.047) 0.079 50.650 ( -7.514 0.000 1.070) 7.590 50.650 ( 7.514 0.000 1.070) 7.590 51.161 ( -0.220 0.000 -2.515) 2.525 51.161 ( 0.220 0.000 -2.515) 2.525 53.521 ( -0.526 0.000 -0.561) 0.769 53.521 ( 0.526 0.000 -0.561) 0.769 ======================= Grid point 91 (21/45) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 16.481 16.481 13.474) 26.922 1.344 ( 22.123 22.123 21.838) 38.154 2.055 ( 16.202 16.202 26.528) 35.054 2.113 ( 9.293 9.293 13.997) 19.200 2.208 ( 3.522 3.522 3.041) 5.836 2.269 ( 2.284 2.284 -0.546) 3.276 2.295 ( 10.925 10.925 11.591) 19.315 2.917 ( -5.186 -5.186 -12.505) 14.497 3.044 ( 1.880 1.880 -3.755) 4.601 3.121 ( 5.320 5.320 -3.102) 8.139 3.146 ( 6.498 6.498 -6.560) 11.291 3.452 ( -5.172 -5.172 6.699) 9.918 3.519 ( -7.770 -7.770 1.840) 11.142 3.659 ( -0.071 -0.071 2.652) 2.654 3.716 ( 1.370 1.370 0.292) 1.960 3.901 ( 3.980 3.980 -1.097) 5.734 3.957 ( 6.523 6.523 0.097) 9.226 3.978 ( -3.338 -3.338 -2.768) 5.472 4.109 ( 3.430 3.430 -5.568) 7.385 4.285 ( -2.389 -2.389 2.329) 4.104 4.390 ( 1.253 1.253 4.187) 4.547 4.646 ( 1.502 1.502 5.104) 5.528 4.771 ( 1.047 1.047 -7.001) 7.156 4.853 ( 2.216 2.216 -1.730) 3.580 4.872 ( -4.560 -4.560 -3.581) 7.377 4.954 ( 3.622 3.622 -10.710) 11.872 5.065 ( 6.181 6.181 3.326) 9.353 5.159 ( -3.810 -3.810 8.408) 9.986 5.321 ( 3.506 3.506 7.490) 8.982 5.449 ( -0.489 -0.489 6.348) 6.386 5.547 ( 4.090 4.090 -0.709) 5.828 5.556 ( 1.456 1.456 5.507) 5.880 5.795 ( 3.083 3.083 2.714) 5.136 6.166 ( -4.892 -4.892 2.273) 7.282 6.190 ( -1.235 -1.235 1.378) 2.224 6.300 ( -5.535 -5.535 -19.650) 21.152 6.541 ( -4.904 -4.904 0.593) 6.961 6.670 ( -1.987 -1.987 3.609) 4.574 6.734 ( -2.693 -2.693 -5.342) 6.561 7.162 ( -2.017 -2.017 -9.059) 9.498 7.505 ( -3.973 -3.973 20.038) 20.811 8.163 ( -8.696 -8.696 7.516) 14.413 8.552 ( -10.840 -10.840 10.070) 18.341 8.738 ( 9.400 9.400 17.663) 22.107 8.846 ( 0.960 0.960 5.159) 5.334 8.936 ( 1.773 1.773 11.550) 11.819 8.955 ( -5.436 -5.436 1.256) 7.790 9.055 ( -7.069 -7.069 -3.431) 10.570 9.065 ( -7.072 -7.072 -1.356) 10.093 9.383 ( -9.430 -9.430 -2.245) 13.523 10.525 ( 14.028 14.028 -14.169) 24.379 10.527 ( 14.295 14.295 -13.261) 24.177 13.464 ( 5.198 5.198 -1.853) 7.581 13.497 ( 6.894 6.894 -2.458) 10.055 13.650 ( 4.946 4.946 -5.216) 8.726 13.686 ( 6.793 6.793 -6.086) 11.372 19.991 ( -7.416 -7.416 3.965) 11.212 20.483 ( -4.422 -4.422 1.525) 6.437 20.487 ( -4.001 -4.001 -12.727) 13.928 20.733 ( -2.037 -2.037 -7.758) 8.276 21.102 ( -10.384 -10.384 4.508) 15.361 21.132 ( 16.378 16.378 0.058) 23.162 21.322 ( 3.267 3.267 5.965) 7.545 21.404 ( -11.072 -11.072 1.978) 15.782 21.451 ( -14.139 -14.139 -1.321) 20.039 21.601 ( 5.236 5.236 15.053) 16.776 21.682 ( 20.050 20.050 -4.036) 28.640 21.744 ( 10.308 10.308 -2.619) 14.811 21.889 ( -26.561 -26.561 -1.077) 37.579 22.632 ( -8.460 -8.460 18.333) 21.891 23.037 ( 0.328 0.328 -14.889) 14.897 23.258 ( 0.162 0.162 2.401) 2.412 23.537 ( -6.882 -6.882 -9.851) 13.848 23.597 ( 0.762 0.762 -7.364) 7.442 23.761 ( 5.997 5.997 -0.757) 8.515 24.199 ( 13.384 13.384 -20.377) 27.812 24.403 ( 7.964 7.964 2.736) 11.590 24.480 ( 8.010 8.010 -2.343) 11.567 24.851 ( 12.605 12.605 1.822) 17.919 25.019 ( 10.400 10.400 2.140) 14.862 25.700 ( -9.248 -9.248 0.049) 13.078 25.721 ( -9.943 -9.943 0.003) 14.062 25.921 ( 0.456 0.456 10.549) 10.569 26.102 ( 6.568 6.568 -0.772) 9.320 26.261 ( -1.131 -1.131 7.083) 7.262 26.613 ( 1.666 1.666 1.979) 3.076 26.718 ( -3.364 -3.364 0.538) 4.788 27.046 ( -0.011 -0.011 -10.553) 10.553 27.455 ( 1.731 1.731 1.092) 2.680 27.457 ( 0.605 0.605 3.943) 4.035 27.840 ( 0.097 0.097 -4.019) 4.021 27.899 ( 2.242 2.242 -4.869) 5.810 28.085 ( 3.443 3.443 0.074) 4.870 28.392 ( -0.951 -0.951 10.770) 10.853 28.725 ( 2.911 2.911 -13.723) 14.327 29.005 ( 14.875 14.875 -30.481) 37.035 29.286 ( -5.122 -5.122 3.522) 8.054 29.549 ( -3.247 -3.247 -3.686) 5.889 29.687 ( -5.182 -5.182 2.463) 7.731 29.864 ( 1.015 1.015 3.655) 3.927 30.026 ( -4.814 -4.814 -2.232) 7.165 30.266 ( 2.157 2.157 -4.823) 5.707 30.468 ( 2.987 2.987 -1.055) 4.353 30.498 ( 2.456 2.456 -1.193) 3.672 36.143 ( 5.703 5.703 10.480) 13.225 37.474 ( -6.387 -6.387 -28.133) 29.548 38.489 ( -10.390 -10.390 24.142) 28.262 38.575 ( -5.327 -5.327 18.769) 20.224 38.856 ( -2.886 -2.886 15.918) 16.433 39.018 ( -16.703 -16.703 23.838) 33.559 39.929 ( 5.442 5.442 -18.587) 20.117 39.979 ( 6.576 6.576 -17.522) 19.837 41.730 ( 5.096 5.096 4.809) 8.664 42.328 ( 5.937 5.937 -12.947) 15.432 42.597 ( 0.906 0.906 13.017) 13.080 42.624 ( 0.505 0.505 12.845) 12.865 42.905 ( 5.308 5.308 11.407) 13.656 43.209 ( -5.479 -5.479 6.952) 10.410 43.379 ( 3.034 3.034 -3.224) 5.367 43.443 ( 4.414 4.414 -6.368) 8.917 44.395 ( -16.163 -16.163 14.313) 26.970 45.254 ( -21.481 -21.481 -8.343) 31.503 45.762 ( -25.362 -25.362 4.488) 36.147 46.052 ( -16.502 -16.502 -3.955) 23.670 48.755 ( 0.777 0.777 0.030) 1.099 48.757 ( 0.854 0.854 -0.015) 1.208 49.508 ( 27.931 27.931 3.551) 39.660 50.433 ( 24.473 24.473 -33.826) 48.395 50.984 ( -0.666 -0.666 1.107) 1.453 51.087 ( 0.535 0.535 -1.479) 1.662 53.427 ( 2.212 2.212 -0.598) 3.185 53.448 ( 0.888 0.888 -0.453) 1.334 ======================= Grid point 92 (22/45) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 26.513 6.568 3.721) 27.567 1.784 ( 23.145 20.023 14.345) 33.799 2.171 ( 2.391 5.808 5.342) 8.246 2.225 ( 3.908 9.194 2.920) 10.408 2.328 ( 4.271 2.461 -2.245) 5.416 2.430 ( 12.662 0.143 9.586) 15.883 2.711 ( 13.656 5.815 13.830) 20.287 2.758 ( -0.363 -2.624 -4.605) 5.313 3.044 ( -0.766 3.521 0.459) 3.633 3.221 ( 3.366 6.593 -2.416) 7.787 3.236 ( 1.442 1.086 1.257) 2.199 3.385 ( -0.437 -3.336 6.118) 6.983 3.502 ( 6.743 -0.531 -0.124) 6.765 3.691 ( 3.042 -1.112 4.319) 5.398 3.744 ( -1.439 5.586 -0.211) 5.772 3.880 ( -1.205 11.208 -1.344) 11.352 3.924 ( 4.000 0.006 0.666) 4.055 4.149 ( -2.883 -0.487 2.840) 4.076 4.214 ( 8.581 0.299 -2.946) 9.077 4.264 ( 10.781 0.209 -1.978) 10.963 4.407 ( -2.505 2.569 0.881) 3.695 4.636 ( -6.561 -1.448 8.850) 11.112 4.694 ( -5.727 -3.506 4.323) 7.986 4.786 ( -1.862 -4.093 -5.513) 7.114 4.838 ( -3.762 -2.415 1.297) 4.655 5.045 ( 4.896 3.497 -7.056) 9.272 5.098 ( -0.757 -0.409 -0.367) 0.935 5.186 ( 5.308 4.794 -0.096) 7.154 5.428 ( 5.689 1.014 -0.136) 5.780 5.477 ( 0.999 4.635 4.273) 6.383 5.596 ( 6.784 3.935 4.893) 9.244 5.686 ( 3.714 -1.219 3.203) 5.053 5.913 ( 9.098 4.982 -1.167) 10.438 6.011 ( -10.394 0.256 -2.875) 10.787 6.194 ( 1.716 -8.439 -5.233) 10.077 6.238 ( 3.466 -4.695 -8.048) 9.941 6.451 ( -3.919 -2.208 0.333) 4.510 6.599 ( -7.366 0.883 4.328) 8.589 6.685 ( -0.789 -5.515 -5.961) 8.159 7.076 ( -6.423 0.864 -8.296) 10.528 7.454 ( -0.186 -1.256 17.882) 17.928 8.000 ( -8.326 -6.901 6.612) 12.675 8.278 ( -14.901 -5.758 8.561) 18.124 8.569 ( -20.222 0.053 6.832) 21.345 8.679 ( -23.068 -1.763 -3.238) 23.361 8.923 ( 1.727 -7.463 3.102) 8.265 8.960 ( 1.548 -4.473 6.446) 7.997 9.022 ( 0.182 2.323 12.609) 12.822 9.062 ( 2.341 -7.776 4.857) 9.462 9.227 ( -2.036 -7.921 2.158) 8.459 10.797 ( 15.542 15.780 -15.330) 26.937 10.884 ( 18.105 11.105 -15.868) 26.512 13.426 ( -3.651 15.189 -2.031) 15.753 13.537 ( -4.152 12.919 -5.011) 14.466 13.974 ( 28.149 -3.009 -1.613) 28.355 14.031 ( 24.976 -2.289 -3.571) 25.334 19.908 ( -0.845 -2.987 4.403) 5.387 20.291 ( -30.722 -2.053 -4.421) 31.106 20.374 ( -9.719 -3.098 1.512) 10.312 20.566 ( -19.288 2.263 -3.301) 19.699 20.644 ( -43.230 0.762 -1.695) 43.270 20.725 ( -5.764 -0.344 -5.645) 8.075 21.344 ( 0.344 -24.322 2.968) 24.505 21.382 ( 3.638 3.740 7.132) 8.837 21.418 ( 7.753 4.538 4.870) 10.219 21.657 ( 0.903 -6.399 3.680) 7.436 21.696 ( 0.716 -14.943 8.058) 16.992 21.937 ( 6.511 6.085 7.656) 11.749 22.239 ( 30.190 3.575 -3.742) 30.630 22.642 ( 8.912 1.139 4.934) 10.250 23.062 ( 2.149 -0.158 -16.022) 16.166 23.290 ( 3.595 -4.091 1.169) 5.570 23.428 ( -4.531 -3.726 -11.523) 12.930 23.646 ( 4.112 1.180 -5.340) 6.843 23.932 ( 10.940 4.808 -0.048) 11.950 24.405 ( 5.577 12.424 -13.358) 19.076 24.474 ( 1.400 18.702 0.222) 18.756 24.574 ( 2.062 14.963 -4.518) 15.766 25.129 ( 13.506 0.751 1.838) 13.651 25.236 ( 11.242 4.093 4.540) 12.796 25.513 ( -10.306 -9.814 -0.915) 14.260 25.536 ( -8.743 -10.995 -1.330) 14.111 25.927 ( 1.015 4.112 14.115) 14.736 26.217 ( -0.806 0.943 6.729) 6.842 26.244 ( 4.810 0.844 1.096) 5.005 26.611 ( -5.561 -4.208 0.886) 7.030 26.705 ( 7.178 2.285 0.109) 7.534 27.063 ( 2.364 -2.729 -7.270) 8.117 27.438 ( -1.711 -1.721 2.717) 3.643 27.519 ( 3.360 0.593 -3.521) 4.903 27.851 ( 0.450 2.928 -3.767) 4.792 27.934 ( 0.927 4.121 -5.226) 6.720 28.159 ( 3.506 0.309 2.491) 4.311 28.352 ( -2.943 2.757 12.517) 13.150 28.778 ( 3.052 -3.581 -5.352) 7.126 29.144 ( -0.358 0.618 -16.118) 16.134 29.183 ( -5.037 -3.360 3.507) 6.997 29.501 ( -7.226 -2.741 -0.200) 7.731 29.540 ( -4.374 2.641 -6.441) 8.221 29.810 ( -5.635 2.839 1.422) 6.468 30.014 ( 3.311 -5.071 -3.714) 7.104 30.310 ( 1.750 3.523 -4.765) 6.179 30.512 ( 2.716 -2.644 -1.149) 3.961 30.584 ( 4.955 -1.677 -1.337) 5.400 36.304 ( 10.954 4.557 6.053) 13.319 37.317 ( -9.662 -4.737 -24.051) 26.348 38.200 ( -15.892 -8.885 30.210) 35.273 38.359 ( -15.405 -6.702 25.716) 30.717 38.841 ( 0.535 -2.868 5.840) 6.528 38.873 ( -1.125 -5.724 6.972) 9.091 40.062 ( 7.717 10.677 -18.831) 22.982 40.124 ( 7.663 11.565 -18.606) 23.209 41.875 ( 9.908 2.911 5.027) 11.485 42.487 ( 9.873 4.353 -12.020) 16.152 42.616 ( 0.849 0.376 12.602) 12.636 42.621 ( -0.554 -0.388 12.543) 12.561 42.984 ( -1.745 4.085 8.155) 9.286 43.153 ( 5.173 -4.323 11.908) 13.684 43.409 ( 0.517 5.159 -4.597) 6.930 43.629 ( 14.498 -1.161 -4.221) 15.144 44.186 ( -6.156 -7.000 -1.150) 9.392 44.721 ( -31.264 -16.762 -13.701) 38.028 45.229 ( -29.012 -15.763 8.991) 34.220 45.628 ( -26.737 -13.570 -3.952) 30.243 48.768 ( 0.656 1.441 0.048) 1.584 48.772 ( 0.711 1.439 0.001) 1.605 50.070 ( 27.398 14.676 4.271) 31.373 50.751 ( 7.676 9.065 -13.139) 17.712 51.002 ( 3.654 -2.731 -1.505) 4.803 51.103 ( 1.233 0.234 -2.121) 2.464 53.477 ( 2.200 2.128 -0.339) 3.080 53.485 ( 3.515 3.123 -1.144) 4.839 ======================= Grid point 93 (23/45) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 19.155 -2.246 9.298) 21.411 2.140 ( 6.808 7.618 4.090) 11.005 2.222 ( 7.065 11.987 6.090) 15.189 2.310 ( 6.377 10.632 0.165) 12.399 2.412 ( 3.977 5.031 -1.898) 6.688 2.510 ( -7.078 -6.452 5.626) 11.108 2.705 ( 10.777 0.981 -3.163) 11.275 2.892 ( -0.936 0.157 -4.255) 4.359 3.077 ( -0.446 4.825 2.298) 5.363 3.210 ( -4.957 6.785 3.033) 8.933 3.362 ( 9.892 2.084 15.434) 18.450 3.402 ( 2.406 0.630 -0.976) 2.672 3.627 ( 4.121 4.711 -2.792) 6.853 3.667 ( -1.726 5.305 0.599) 5.611 3.808 ( 5.607 -0.062 -1.185) 5.731 3.872 ( 2.124 8.156 -2.653) 8.835 4.018 ( -7.187 -0.590 6.720) 9.857 4.192 ( 16.440 -0.768 2.731) 16.682 4.284 ( -7.362 3.658 -0.492) 8.235 4.341 ( 6.024 -0.332 1.575) 6.236 4.423 ( -1.585 -2.174 0.318) 2.709 4.574 ( 2.015 -4.693 1.271) 5.263 4.647 ( -1.960 -4.164 2.882) 5.430 4.679 ( -5.705 -2.392 -1.808) 6.445 4.822 ( 6.208 -1.430 4.770) 7.958 5.121 ( 1.701 1.138 -5.586) 5.949 5.142 ( 6.268 2.567 -2.062) 7.080 5.263 ( 1.059 6.579 -1.473) 6.825 5.425 ( -6.680 8.152 -0.832) 10.572 5.509 ( 4.617 -2.144 2.232) 5.559 5.591 ( -12.469 -5.436 8.405) 15.990 5.723 ( -1.522 2.260 7.741) 8.207 5.846 ( 2.020 3.153 -1.877) 4.188 6.102 ( 7.482 2.639 -1.241) 8.030 6.317 ( -2.763 0.377 1.293) 3.074 6.384 ( 7.236 -4.269 -0.948) 8.455 6.401 ( 5.933 -4.528 -1.176) 7.556 6.511 ( 5.901 -2.249 -5.021) 8.068 6.689 ( 1.902 -4.958 -5.089) 7.355 6.937 ( -7.179 2.756 -7.262) 10.577 7.466 ( -1.224 1.477 2.218) 2.932 7.811 ( -13.939 -1.891 -0.321) 14.070 8.091 ( -1.755 -5.441 7.886) 9.741 8.193 ( -17.581 -3.181 6.161) 18.899 8.267 ( -14.152 -3.044 10.658) 17.976 8.704 ( -18.231 -4.261 5.665) 19.561 8.971 ( 1.006 -14.341 0.161) 14.377 9.013 ( -1.069 -13.460 -0.596) 13.516 9.188 ( 6.972 3.879 14.083) 16.186 9.273 ( 2.618 -0.169 9.920) 10.261 11.068 ( 11.734 14.428 -15.903) 24.469 11.152 ( 9.013 11.830 -16.767) 22.412 13.368 ( -1.828 14.894 -2.883) 15.280 13.444 ( -4.920 13.581 -4.955) 15.271 14.540 ( 26.865 -3.957 -0.553) 27.160 14.546 ( 25.710 -3.352 -1.195) 25.956 19.510 ( -36.014 0.353 0.722) 36.023 19.656 ( -42.031 0.008 -2.792) 42.123 19.964 ( 4.079 -1.239 4.809) 6.427 20.232 ( -7.968 -2.968 2.253) 8.797 20.537 ( 2.150 6.003 -6.583) 9.165 20.673 ( -3.303 3.555 -5.792) 7.556 21.371 ( 1.998 -25.545 4.476) 26.011 21.415 ( 0.626 -7.590 10.591) 13.045 21.544 ( 4.475 -11.481 1.216) 12.382 21.657 ( -1.594 -6.725 6.374) 9.402 21.756 ( 6.037 3.509 8.380) 10.908 21.972 ( -1.993 16.534 8.278) 18.598 22.671 ( 14.685 -5.190 -4.982) 16.353 22.845 ( 7.283 -4.786 -0.442) 8.726 23.117 ( 4.037 -0.980 -17.176) 17.672 23.312 ( -4.207 -5.350 -12.213) 13.982 23.481 ( 12.862 0.769 -0.171) 12.886 23.731 ( 3.601 5.877 -2.252) 7.251 24.146 ( 10.718 1.851 -1.202) 10.943 24.440 ( -1.908 10.550 -8.166) 13.477 24.478 ( 0.239 22.058 1.351) 22.101 24.559 ( -2.849 17.116 -1.843) 17.450 25.316 ( 3.132 -3.033 -0.373) 4.376 25.330 ( -5.501 -8.668 -0.224) 10.269 25.372 ( -1.432 -5.881 0.344) 6.062 25.422 ( 1.058 0.852 -0.543) 1.463 25.978 ( 4.223 3.738 15.339) 16.343 26.154 ( -4.101 -0.686 9.589) 10.452 26.336 ( 3.467 -6.690 0.674) 7.565 26.494 ( -5.884 -7.525 1.501) 9.669 26.954 ( 17.761 9.522 -4.462) 20.640 27.145 ( 5.933 -4.829 -5.623) 9.494 27.388 ( -3.395 -6.842 2.471) 8.027 27.560 ( -0.451 2.169 -8.046) 8.346 27.838 ( -1.839 5.996 -2.919) 6.918 27.898 ( -5.243 7.176 -2.409) 9.208 28.207 ( 2.199 -0.594 6.674) 7.052 28.302 ( -2.055 4.037 10.470) 11.408 28.849 ( 4.463 -3.726 -3.613) 6.845 29.066 ( -6.138 -3.221 -5.005) 8.550 29.122 ( -0.870 -1.308 2.697) 3.121 29.289 ( -10.214 -1.166 3.955) 11.015 29.544 ( 1.365 2.219 -7.079) 7.543 29.688 ( -6.287 3.464 -0.898) 7.234 30.114 ( 6.062 -3.831 -6.430) 9.632 30.301 ( -2.653 2.874 -5.415) 6.680 30.586 ( 4.337 -5.705 -0.847) 7.216 30.652 ( 1.836 -3.531 -1.080) 4.123 36.551 ( 14.621 2.364 -1.236) 14.862 37.108 ( -12.391 -3.143 -19.160) 23.033 37.967 ( -7.750 -4.393 27.010) 28.442 38.072 ( -12.858 -3.679 27.662) 30.725 38.857 ( 1.003 -6.940 2.941) 7.604 38.876 ( 0.317 -6.996 2.831) 7.554 40.197 ( 5.817 15.144 -19.071) 25.037 40.241 ( 4.023 15.442 -19.181) 24.951 42.100 ( 13.377 0.593 5.159) 14.350 42.573 ( -5.679 -1.414 8.908) 10.658 42.613 ( 0.982 1.604 3.743) 4.189 42.631 ( 0.000 1.468 8.221) 8.351 42.985 ( 8.393 1.461 -1.715) 8.690 43.367 ( 8.953 -1.482 4.640) 10.192 43.394 ( 2.612 2.904 -0.225) 3.913 43.975 ( 20.422 -5.585 -2.866) 21.365 44.140 ( -4.231 -6.886 -6.918) 10.638 44.157 ( -20.219 -10.358 -9.589) 24.659 44.693 ( -25.528 -10.820 8.687) 29.055 45.077 ( -29.859 -9.978 -3.597) 31.687 48.779 ( 0.480 1.695 0.058) 1.763 48.783 ( 0.362 1.724 0.028) 1.762 50.487 ( 15.917 7.202 3.268) 17.774 50.781 ( -2.204 4.725 -1.782) 5.510 51.094 ( 4.197 -2.506 -3.161) 5.821 51.132 ( 1.575 -0.646 -2.730) 3.217 53.526 ( 2.558 3.349 -0.286) 4.224 53.544 ( 2.224 3.769 -0.978) 4.484 ======================= Grid point 94 (24/45) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -7.978 -2.765 11.404) 14.189 2.085 ( 7.978 -2.765 11.404) 14.189 2.359 ( -7.573 5.912 -2.950) 10.050 2.359 ( 7.573 5.912 -2.950) 10.050 2.457 ( -2.857 7.668 1.646) 8.347 2.457 ( 2.857 7.668 1.646) 8.347 2.868 ( -4.766 2.771 -3.101) 6.325 2.868 ( 4.766 2.771 -3.101) 6.325 3.079 ( -4.967 4.788 6.069) 9.188 3.079 ( 4.967 4.788 6.069) 9.188 3.450 ( -2.156 -0.645 -0.862) 2.410 3.450 ( 2.156 -0.645 -0.862) 2.410 3.658 ( -0.655 10.457 -0.221) 10.479 3.658 ( 0.655 10.457 -0.221) 10.479 3.882 ( -2.395 -1.095 1.306) 2.940 3.882 ( 2.395 -1.095 1.306) 2.940 4.051 ( -10.486 2.525 0.949) 10.827 4.051 ( 10.486 2.525 0.949) 10.827 4.387 ( -2.440 -2.657 2.150) 4.199 4.387 ( 2.440 -2.657 2.150) 4.199 4.516 ( -8.296 -2.894 0.739) 8.818 4.516 ( 8.296 -2.894 0.739) 8.818 4.622 ( -1.274 -3.694 1.374) 4.142 4.622 ( 1.274 -3.694 1.374) 4.142 5.052 ( -11.861 1.355 -5.445) 13.121 5.052 ( 11.861 1.355 -5.445) 13.121 5.276 ( -3.716 6.230 0.862) 7.305 5.276 ( 3.716 6.230 0.862) 7.305 5.329 ( -12.115 1.227 4.846) 13.106 5.329 ( 12.115 1.227 4.846) 13.106 5.611 ( -5.981 -0.903 7.736) 9.820 5.611 ( 5.981 -0.903 7.736) 9.820 6.032 ( -11.748 1.252 0.153) 11.815 6.032 ( 11.748 1.252 0.153) 11.815 6.329 ( -4.483 2.023 3.850) 6.246 6.329 ( 4.483 2.023 3.850) 6.246 6.589 ( -2.394 -7.565 -4.975) 9.365 6.589 ( 2.394 -7.565 -4.975) 9.365 6.821 ( -7.299 0.465 -4.519) 8.597 6.821 ( 7.299 0.465 -4.519) 8.597 7.500 ( -11.685 1.967 -10.963) 16.143 7.500 ( 11.685 1.967 -10.963) 16.143 8.039 ( -1.805 -2.960 11.486) 11.998 8.039 ( 1.805 -2.960 11.486) 11.998 8.349 ( -16.869 -6.409 10.569) 20.913 8.349 ( 16.869 -6.409 10.569) 20.913 8.992 ( -1.125 -14.412 -0.507) 14.464 8.992 ( 1.125 -14.412 -0.507) 14.464 9.278 ( -2.256 2.389 11.863) 12.309 9.278 ( 2.256 2.389 11.863) 12.309 11.212 ( -2.648 13.089 -16.390) 21.142 11.212 ( 2.648 13.089 -16.390) 21.142 13.371 ( -2.225 14.142 -4.083) 14.887 13.371 ( 2.225 14.142 -4.083) 14.887 14.831 ( -0.404 -4.103 -0.260) 4.131 14.831 ( 0.404 -4.103 -0.260) 4.131 19.169 ( -4.239 0.787 -0.888) 4.402 19.169 ( 4.239 0.787 -0.888) 4.402 20.084 ( -7.407 -1.928 3.342) 8.352 20.084 ( 7.407 -1.928 3.342) 8.352 20.600 ( -3.979 6.513 -5.904) 9.650 20.600 ( 3.979 6.513 -5.904) 9.650 21.407 ( -1.425 -19.199 6.892) 20.448 21.407 ( 1.425 -19.199 6.892) 20.448 21.610 ( -2.945 -13.728 5.775) 15.181 21.610 ( 2.945 -13.728 5.775) 15.181 21.886 ( -6.438 16.658 7.245) 19.273 21.886 ( 6.438 16.658 7.245) 19.273 22.853 ( -5.082 -8.427 -4.207) 10.702 22.853 ( 5.082 -8.427 -4.207) 10.702 23.215 ( -5.515 -3.308 -14.617) 15.969 23.215 ( 5.515 -3.308 -14.617) 15.969 23.712 ( -7.310 6.648 -0.421) 9.890 23.712 ( 7.310 6.648 -0.421) 9.890 24.330 ( -8.410 2.253 -4.706) 9.897 24.330 ( 8.410 2.253 -4.706) 9.897 24.506 ( -2.244 22.468 0.986) 22.601 24.506 ( 2.244 22.468 0.986) 22.601 25.269 ( -1.268 -8.490 -1.526) 8.718 25.269 ( 1.268 -8.490 -1.526) 8.718 25.426 ( -2.151 0.953 0.540) 2.414 25.426 ( 2.151 0.953 0.540) 2.414 26.069 ( -4.802 0.765 12.414) 13.332 26.069 ( 4.802 0.765 12.414) 13.332 26.400 ( -3.885 -8.834 1.521) 9.770 26.400 ( 3.885 -8.834 1.521) 9.770 27.220 ( -4.436 -0.994 -8.236) 9.407 27.220 ( 4.436 -0.994 -8.236) 9.407 27.417 ( -12.114 0.758 -1.174) 12.195 27.417 ( 12.114 0.758 -1.174) 12.195 27.818 ( -1.452 8.034 -0.405) 8.174 27.818 ( 1.452 8.034 -0.405) 8.174 28.258 ( -2.743 1.743 7.485) 8.160 28.258 ( 2.743 1.743 7.485) 8.160 28.949 ( -5.884 -3.862 -3.055) 7.673 28.949 ( 5.884 -3.862 -3.055) 7.673 29.151 ( -4.141 -0.464 3.866) 5.684 29.151 ( 4.141 -0.464 3.866) 5.684 29.590 ( -3.722 2.374 -3.734) 5.782 29.590 ( 3.722 2.374 -3.734) 5.782 30.223 ( -5.143 -0.631 -6.295) 8.154 30.223 ( 5.143 -0.631 -6.295) 8.154 30.650 ( -1.944 -4.948 -0.827) 5.380 30.650 ( 1.944 -4.948 -0.827) 5.380 36.842 ( -15.168 -0.580 -10.770) 18.612 36.842 ( 15.168 -0.580 -10.770) 18.612 37.917 ( -2.760 -2.711 26.992) 27.268 37.917 ( 2.760 -2.711 26.992) 27.268 38.874 ( -0.585 -8.066 2.127) 8.363 38.874 ( 0.585 -8.066 2.127) 8.363 40.267 ( -1.274 16.825 -19.217) 25.573 40.267 ( 1.274 16.825 -19.217) 25.573 42.366 ( -13.714 -0.884 5.279) 14.721 42.366 ( 13.714 -0.884 5.279) 14.721 42.623 ( -0.431 1.024 10.554) 10.613 42.623 ( 0.431 1.024 10.554) 10.613 43.228 ( -12.635 2.811 -6.791) 14.617 43.228 ( 12.635 2.811 -6.791) 14.617 43.712 ( -19.701 -6.573 -1.797) 20.846 43.712 ( 19.701 -6.573 -1.797) 20.846 44.235 ( -9.892 -9.875 2.116) 14.137 44.235 ( 9.892 -9.875 2.116) 14.137 44.540 ( -22.790 -5.569 -2.732) 23.619 44.540 ( 22.790 -5.569 -2.732) 23.619 48.785 ( -0.094 1.784 0.051) 1.787 48.785 ( 0.094 1.784 0.051) 1.787 50.696 ( -6.950 4.366 1.331) 8.315 50.696 ( 6.950 4.366 1.331) 8.315 51.143 ( -0.924 -1.766 -2.575) 3.256 51.143 ( 0.924 -1.766 -2.575) 3.256 53.560 ( -0.640 3.918 -0.536) 4.006 53.560 ( 0.640 3.918 -0.536) 4.006 ======================= Grid point 101 (25/45) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 13.527 13.527 4.211) 19.588 2.167 ( 16.547 16.547 8.508) 24.900 2.291 ( 5.480 5.480 4.773) 9.102 2.375 ( 0.787 0.787 -11.580) 11.633 2.437 ( 8.074 8.074 11.089) 15.916 2.483 ( 10.149 10.149 3.657) 14.811 2.556 ( -4.352 -4.352 -1.467) 6.327 2.928 ( 4.880 4.880 0.161) 6.903 3.197 ( 8.902 8.902 6.908) 14.360 3.254 ( 1.577 1.577 2.167) 3.110 3.273 ( 3.149 3.149 15.212) 15.851 3.484 ( 7.546 7.546 -3.916) 11.367 3.485 ( 3.315 3.315 -0.206) 4.693 3.690 ( 0.890 0.890 2.851) 3.117 3.851 ( -1.644 -1.644 4.413) 4.988 3.944 ( 10.475 10.475 1.928) 14.939 4.099 ( 5.041 5.041 -1.468) 7.279 4.167 ( 1.926 1.926 4.473) 5.237 4.213 ( 1.754 1.754 0.931) 2.649 4.260 ( 2.676 2.676 -1.745) 4.168 4.444 ( -1.036 -1.036 -2.143) 2.596 4.511 ( -9.163 -9.163 4.618) 13.756 4.611 ( -6.411 -6.411 1.805) 9.245 4.684 ( -5.078 -5.078 0.239) 7.185 4.800 ( -1.561 -1.561 6.416) 6.785 5.089 ( 0.309 0.309 -4.758) 4.778 5.123 ( 2.365 2.365 -7.480) 8.194 5.243 ( 3.720 3.720 -0.815) 5.323 5.531 ( 6.045 6.045 -4.463) 9.644 5.595 ( 6.576 6.576 8.951) 12.908 5.602 ( -0.029 -0.029 9.755) 9.755 5.824 ( 9.652 9.652 -2.447) 13.868 5.967 ( -4.122 -4.122 0.866) 5.894 6.040 ( 6.236 6.236 -6.807) 11.141 6.067 ( -4.867 -4.867 -16.823) 18.177 6.139 ( 1.008 1.008 -2.471) 2.853 6.415 ( -1.101 -1.101 0.756) 1.731 6.570 ( -2.270 -2.270 1.562) 3.570 6.610 ( -3.518 -3.518 -0.110) 4.976 7.046 ( -3.853 -3.853 -7.325) 9.129 7.457 ( 2.540 2.540 16.537) 16.922 7.867 ( -6.323 -6.323 7.780) 11.852 8.098 ( -11.940 -11.940 4.202) 17.400 8.557 ( -10.522 -10.522 6.745) 16.338 8.584 ( -11.573 -11.573 -2.190) 16.512 8.611 ( -13.859 -13.859 -5.951) 20.484 8.680 ( -12.280 -12.280 -1.175) 17.406 8.939 ( -13.471 -13.471 -0.471) 19.057 9.155 ( 7.604 7.604 20.914) 23.516 9.186 ( 5.893 5.893 19.156) 20.890 11.134 ( 16.300 16.300 -18.797) 29.744 11.154 ( 16.717 16.717 -17.744) 29.560 13.763 ( 10.274 10.274 0.451) 14.536 13.879 ( 12.783 12.783 -1.622) 18.151 13.923 ( 8.948 8.948 -1.946) 12.803 14.047 ( 11.363 11.363 -5.109) 16.863 19.893 ( 1.643 1.643 4.716) 5.257 20.152 ( -20.821 -20.821 -0.881) 29.458 20.328 ( -4.216 -4.216 2.468) 6.453 20.564 ( -31.214 -31.214 -1.859) 44.183 20.571 ( -2.773 -2.773 -3.383) 5.179 20.691 ( -11.767 -11.767 -3.613) 17.029 20.732 ( -21.828 -21.828 -0.286) 30.871 20.746 ( -7.588 -7.588 -4.029) 11.462 21.426 ( 1.665 1.665 18.536) 18.685 21.638 ( -3.310 -3.310 13.277) 14.078 22.011 ( 22.671 22.671 2.945) 32.197 22.317 ( 20.309 20.309 1.633) 28.768 22.337 ( 10.011 10.011 -5.162) 15.070 22.672 ( 2.016 2.016 1.734) 3.337 23.073 ( 1.370 1.370 -15.177) 15.301 23.238 ( -1.666 -1.666 -6.049) 6.492 23.396 ( 0.685 0.685 -4.913) 5.008 23.676 ( 4.283 4.283 -7.553) 9.682 24.059 ( 7.330 7.330 1.217) 10.438 24.567 ( 4.122 4.122 -17.409) 18.359 24.756 ( 10.073 10.073 3.069) 14.573 24.883 ( 12.485 12.485 -0.727) 17.671 25.172 ( 4.696 4.696 2.543) 7.111 25.277 ( -5.465 -5.465 -0.680) 7.758 25.294 ( -11.439 -11.439 0.160) 16.178 25.409 ( 2.908 2.908 -1.269) 4.304 26.012 ( 4.205 4.205 16.666) 17.696 26.187 ( -5.901 -5.901 -0.288) 8.350 26.192 ( -2.630 -2.630 7.768) 8.612 26.501 ( -7.074 -7.074 5.370) 11.354 26.865 ( 12.585 12.585 -3.409) 18.122 27.012 ( -0.259 -0.259 -1.078) 1.138 27.352 ( -6.267 -6.267 1.918) 9.068 27.577 ( 4.230 4.230 -10.414) 12.010 27.930 ( 4.291 4.291 -2.617) 6.609 28.003 ( 2.873 2.873 -4.667) 6.188 28.171 ( 0.992 0.992 4.167) 4.396 28.395 ( 1.009 1.009 13.153) 13.231 28.753 ( 0.958 0.958 -5.376) 5.545 29.093 ( -4.454 -4.454 -6.358) 8.950 29.113 ( -3.430 -3.430 4.553) 6.653 29.418 ( -6.550 -6.550 1.831) 9.443 29.622 ( 2.521 2.521 -13.268) 13.739 29.753 ( -4.311 -4.311 -2.327) 6.525 29.995 ( 0.950 0.950 3.505) 3.754 30.358 ( 2.429 2.429 -5.278) 6.297 30.480 ( -2.693 -2.693 -1.154) 3.979 30.551 ( -0.022 -0.022 -2.246) 2.247 36.429 ( 8.397 8.397 2.083) 12.056 37.194 ( -7.820 -7.820 -21.623) 24.287 38.010 ( -9.621 -9.621 27.867) 31.011 38.183 ( -11.023 -11.023 26.488) 30.734 38.771 ( -3.798 -3.798 3.548) 6.437 38.789 ( -2.872 -2.872 2.331) 4.683 40.310 ( 13.861 13.861 -18.934) 27.254 40.375 ( 13.271 13.271 -18.862) 26.608 41.962 ( 6.339 6.339 5.611) 10.576 42.600 ( -1.761 -1.761 11.076) 11.352 42.606 ( 6.476 6.476 -8.310) 12.367 42.634 ( 2.477 2.477 7.649) 8.413 42.972 ( -6.583 -6.583 12.583) 15.653 43.168 ( 7.711 7.711 9.494) 14.458 43.532 ( 4.610 4.610 -2.606) 7.020 43.627 ( 4.088 4.088 -4.987) 7.635 44.060 ( -5.332 -5.332 -4.744) 8.909 44.317 ( -23.656 -23.656 -14.686) 36.536 44.851 ( -22.428 -22.428 10.163) 33.307 45.276 ( -22.299 -22.299 -3.930) 31.780 48.796 ( 1.310 1.310 0.080) 1.854 48.800 ( 1.304 1.304 -0.002) 1.844 50.387 ( 16.353 16.353 4.112) 23.490 50.924 ( 6.149 6.149 -9.190) 12.652 50.944 ( -1.415 -1.415 1.663) 2.602 51.107 ( 0.320 0.320 -2.782) 2.819 53.536 ( 3.856 3.856 -0.198) 5.457 53.562 ( 4.457 4.457 -1.225) 6.422 ======================= Grid point 102 (26/45) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 9.270 -0.410 11.620) 14.870 2.148 ( -9.990 -9.070 1.207) 13.547 2.394 ( 5.764 7.530 0.288) 9.488 2.505 ( 5.811 7.722 2.287) 9.931 2.592 ( 10.458 17.642 7.004) 21.672 2.600 ( 6.263 13.629 -2.075) 15.142 2.774 ( 15.148 6.774 2.505) 16.782 2.954 ( 0.529 4.438 -4.975) 6.688 3.183 ( -2.296 6.005 4.686) 7.955 3.313 ( -0.980 1.033 3.547) 3.822 3.430 ( 4.047 7.605 5.837) 10.406 3.487 ( 1.208 7.269 -0.896) 7.423 3.668 ( 8.159 3.362 1.672) 8.981 3.723 ( 2.958 -0.246 3.718) 4.757 3.879 ( 6.633 2.639 -3.312) 7.870 4.014 ( -7.153 2.303 5.557) 9.346 4.106 ( -4.265 12.605 -0.390) 13.313 4.168 ( 5.292 -1.860 1.700) 5.862 4.255 ( -2.900 -3.388 1.076) 4.588 4.346 ( 0.957 -3.236 -1.504) 3.694 4.417 ( 1.105 0.951 1.098) 1.826 4.449 ( 0.569 -5.668 2.375) 6.171 4.493 ( -3.987 -10.233 3.476) 11.519 4.610 ( -2.232 -3.923 1.969) 4.924 4.793 ( 7.011 -1.804 10.334) 12.618 5.104 ( 2.768 -4.563 -3.172) 6.208 5.156 ( 0.200 0.685 -9.084) 9.112 5.390 ( 9.466 2.018 -1.928) 9.869 5.520 ( -3.253 7.412 1.067) 8.164 5.539 ( -8.755 2.542 3.543) 9.781 5.711 ( -6.939 13.501 -0.608) 15.192 5.748 ( 0.526 2.335 9.879) 10.164 5.911 ( -2.831 4.876 -3.818) 6.809 6.123 ( 2.134 -1.869 -3.677) 4.644 6.228 ( 15.520 -6.998 -2.350) 17.186 6.337 ( 13.798 0.506 -8.983) 16.473 6.423 ( 1.915 4.526 1.430) 5.118 6.512 ( -2.707 5.391 2.589) 6.565 6.587 ( 3.365 -5.540 -3.944) 7.588 6.937 ( -7.129 -2.929 -6.445) 10.047 7.525 ( 0.903 5.158 4.281) 6.764 7.766 ( -6.799 -2.683 3.380) 8.053 7.926 ( 0.537 -10.978 5.376) 12.236 8.149 ( -21.554 -2.112 0.508) 21.663 8.186 ( -18.075 -4.412 4.368) 19.112 8.520 ( -11.202 -17.340 -2.124) 20.753 8.609 ( -1.558 -22.221 -0.005) 22.275 8.673 ( -8.006 -18.543 1.743) 20.272 9.279 ( 4.880 4.833 20.559) 21.676 9.295 ( 4.265 2.538 19.989) 20.596 11.394 ( 10.682 17.557 -19.698) 28.467 11.429 ( 10.116 15.622 -19.791) 27.167 13.772 ( -2.215 25.850 -0.664) 25.953 13.818 ( -4.381 24.834 -2.026) 25.299 14.441 ( 26.347 -5.824 -0.425) 26.987 14.467 ( 23.773 -4.207 -1.887) 24.216 19.505 ( -33.623 -1.798 0.896) 33.683 19.642 ( -39.954 -2.519 -2.410) 40.106 19.990 ( 4.414 3.732 6.136) 8.430 20.238 ( -6.619 2.196 3.763) 7.924 20.553 ( 1.663 -28.773 -3.170) 28.994 20.631 ( 1.858 -29.789 -2.476) 29.949 20.677 ( 0.138 -32.084 -0.692) 32.092 20.745 ( 0.215 3.894 -8.009) 8.908 21.462 ( 2.074 0.410 18.828) 18.946 21.571 ( -3.539 -3.158 15.521) 16.229 22.305 ( 9.663 31.844 1.302) 33.303 22.449 ( 4.267 17.387 -2.056) 18.020 22.586 ( 4.383 1.320 0.135) 4.579 22.759 ( 3.217 2.752 -1.822) 4.609 23.113 ( 2.258 0.952 -15.430) 15.624 23.216 ( -1.504 -4.600 -15.422) 16.163 23.530 ( 16.170 3.345 1.563) 16.587 23.823 ( 8.628 4.610 -5.009) 10.990 24.185 ( 5.766 1.880 0.382) 6.076 24.538 ( -7.291 3.285 -10.068) 12.858 24.883 ( 4.435 17.471 2.391) 18.183 24.986 ( -0.102 20.626 0.120) 20.626 25.111 ( -6.234 -11.472 -0.009) 13.056 25.143 ( -5.929 -12.252 -3.606) 14.081 25.328 ( 8.796 -0.693 1.400) 8.934 25.486 ( 1.844 4.574 -1.412) 5.130 26.021 ( -3.188 -3.849 4.481) 6.713 26.071 ( -5.740 -10.078 -1.447) 11.688 26.193 ( 3.930 -1.349 16.904) 17.407 26.377 ( -5.536 -3.537 11.553) 13.290 26.975 ( 3.208 -7.982 -1.387) 8.714 27.206 ( -0.552 -1.117 -1.522) 1.967 27.248 ( 11.432 6.041 -1.779) 13.052 27.640 ( 1.062 4.998 -14.656) 15.521 27.974 ( 0.340 7.663 -2.129) 7.961 28.031 ( -0.991 5.917 -1.983) 6.319 28.209 ( 3.699 0.774 6.938) 7.900 28.378 ( -2.741 3.466 11.644) 12.454 28.803 ( 3.916 -0.634 -3.976) 5.617 28.995 ( -5.568 -3.089 -2.305) 6.772 29.079 ( 0.216 -2.964 4.152) 5.106 29.258 ( -8.901 -3.054 3.070) 9.898 29.609 ( -0.807 4.214 -7.658) 8.778 29.703 ( -3.463 -1.649 -3.655) 5.298 30.054 ( 5.955 -2.564 -0.361) 6.493 30.339 ( -6.143 0.529 -3.342) 7.013 30.471 ( 3.697 -5.418 -2.683) 7.087 30.564 ( 0.176 -4.575 -2.267) 5.108 36.615 ( 10.777 4.174 -4.260) 12.317 37.026 ( -9.687 -5.181 -17.903) 21.005 37.869 ( -4.539 -5.192 26.456) 27.340 37.977 ( -9.491 -5.885 27.184) 29.389 38.724 ( -1.184 -6.096 1.427) 6.372 38.744 ( -1.824 -6.079 0.724) 6.388 40.544 ( 9.625 19.475 -19.481) 29.179 40.585 ( 7.762 18.859 -19.457) 28.187 42.120 ( 10.174 1.578 5.931) 11.881 42.532 ( -6.622 -3.086 6.638) 9.872 42.640 ( 0.658 1.373 11.256) 11.359 42.698 ( -2.395 5.405 2.986) 6.623 42.962 ( 10.719 -4.853 0.067) 11.766 43.350 ( 9.889 1.856 7.039) 12.280 43.505 ( -5.224 7.087 -3.295) 9.401 43.818 ( 4.473 -12.042 -4.048) 13.469 43.903 ( -11.254 -11.672 -9.508) 18.796 44.008 ( 0.872 -7.388 -4.258) 8.572 44.437 ( -18.408 -14.653 7.769) 24.778 44.818 ( -24.581 -16.350 -3.763) 29.761 48.816 ( 0.761 1.896 0.074) 2.045 48.819 ( 0.671 1.845 0.028) 1.963 50.644 ( 10.223 8.170 3.240) 13.481 50.870 ( -3.788 3.448 0.726) 5.173 51.050 ( 4.521 -1.404 -3.605) 5.950 51.115 ( 0.291 -0.939 -2.974) 3.133 53.612 ( 3.603 5.255 -0.182) 6.374 53.636 ( 2.804 5.323 -0.914) 6.085 ======================= Grid point 103 (27/45) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -7.871 -8.090 10.799) 15.621 1.973 ( 7.871 -8.090 10.799) 15.621 2.506 ( -4.317 9.508 -0.037) 10.442 2.506 ( 4.317 9.508 -0.037) 10.442 2.691 ( -1.709 15.591 -1.655) 15.771 2.691 ( 1.709 15.591 -1.655) 15.771 2.970 ( -3.318 6.811 0.575) 7.598 2.970 ( 3.318 6.811 0.575) 7.598 3.202 ( -6.691 7.105 6.609) 11.787 3.202 ( 6.691 7.105 6.609) 11.787 3.473 ( -2.288 3.504 -2.641) 4.948 3.473 ( 2.288 3.504 -2.641) 4.948 3.771 ( -1.926 0.811 2.846) 3.530 3.771 ( 1.926 0.811 2.846) 3.530 3.966 ( -3.572 9.295 -0.569) 9.974 3.966 ( 3.572 9.295 -0.569) 9.974 4.078 ( -7.718 -0.678 -1.714) 7.935 4.078 ( 7.718 -0.678 -1.714) 7.935 4.300 ( -8.633 -7.355 3.039) 11.742 4.300 ( 8.633 -7.355 3.039) 11.742 4.427 ( -2.812 -6.207 2.005) 7.103 4.427 ( 2.812 -6.207 2.005) 7.103 4.529 ( -4.914 -3.133 4.148) 7.153 4.529 ( 4.914 -3.133 4.148) 7.153 5.062 ( -11.677 -1.072 0.695) 11.746 5.062 ( 11.677 -1.072 0.695) 11.746 5.262 ( -14.723 -3.910 -0.611) 15.246 5.262 ( 14.723 -3.910 -0.611) 15.246 5.486 ( -1.434 8.865 -1.554) 9.114 5.486 ( 1.434 8.865 -1.554) 9.114 5.682 ( -4.921 9.448 2.940) 11.050 5.682 ( 4.921 9.448 2.940) 11.050 6.020 ( -9.455 -2.119 4.774) 10.802 6.020 ( 9.455 -2.119 4.774) 10.802 6.416 ( -4.296 2.381 -3.665) 6.128 6.416 ( 4.296 2.381 -3.665) 6.128 6.497 ( -1.562 4.081 -0.515) 4.400 6.497 ( 1.562 4.081 -0.515) 4.400 6.776 ( -11.163 -5.033 -5.716) 13.514 6.776 ( 11.163 -5.033 -5.716) 13.514 7.556 ( -9.343 3.675 -7.306) 12.417 7.556 ( 9.343 3.675 -7.306) 12.417 7.962 ( -3.909 -5.019 7.614) 9.921 7.962 ( 3.909 -5.019 7.614) 9.921 8.182 ( -18.601 -10.747 5.314) 22.130 8.182 ( 18.601 -10.747 5.314) 22.130 8.615 ( -1.285 -23.667 -0.423) 23.705 8.615 ( 1.285 -23.667 -0.423) 23.705 9.332 ( -0.509 2.919 20.070) 20.287 9.332 ( 0.509 2.919 20.070) 20.287 11.514 ( -1.284 16.700 -20.092) 26.158 11.514 ( 1.284 16.700 -20.092) 26.158 13.759 ( -1.338 25.471 -1.514) 25.551 13.759 ( 1.338 25.471 -1.514) 25.551 14.730 ( -0.393 -5.963 -0.425) 5.991 14.730 ( 0.393 -5.963 -0.425) 5.991 19.180 ( -3.749 -0.210 -0.541) 3.793 19.180 ( 3.749 -0.210 -0.541) 3.793 20.108 ( -6.820 3.907 4.729) 9.173 20.108 ( 6.820 3.907 4.729) 9.173 20.603 ( -2.946 -42.176 -1.334) 42.300 20.603 ( 2.946 -42.176 -1.334) 42.300 20.725 ( -2.553 -0.881 -5.781) 6.381 20.725 ( 2.553 -0.881 -5.781) 6.381 21.509 ( -2.893 -1.611 17.481) 17.792 21.509 ( 2.893 -1.611 17.481) 17.792 22.434 ( -4.443 23.857 0.523) 24.273 22.434 ( 4.443 23.857 0.523) 24.273 22.701 ( -6.779 1.306 -2.138) 7.227 22.701 ( 6.779 1.306 -2.138) 7.227 23.165 ( -3.193 -1.380 -15.857) 16.234 23.165 ( 3.193 -1.380 -15.857) 16.234 23.843 ( -9.863 6.363 -0.628) 11.754 23.843 ( 9.863 6.363 -0.628) 11.754 24.335 ( -11.309 -0.617 -4.193) 12.077 24.335 ( 11.309 -0.617 -4.193) 12.077 24.949 ( -2.724 18.289 0.699) 18.504 24.949 ( 2.724 18.289 0.699) 18.504 25.067 ( -1.365 -10.114 -1.290) 10.287 25.067 ( 1.365 -10.114 -1.290) 10.287 25.458 ( -4.416 2.630 -0.523) 5.166 25.458 ( 4.416 2.630 -0.523) 5.166 25.995 ( -1.458 -11.094 -0.458) 11.199 25.995 ( 1.458 -11.094 -0.458) 11.199 26.282 ( -4.748 -0.222 15.862) 16.559 26.282 ( 4.748 -0.222 15.862) 16.559 27.076 ( -6.860 -10.779 0.573) 12.790 27.076 ( 6.860 -10.779 0.573) 12.790 27.549 ( -11.765 9.113 -12.194) 19.239 27.549 ( 11.765 9.113 -12.194) 19.239 27.985 ( -1.926 8.894 0.216) 9.103 27.985 ( 1.926 8.894 0.216) 9.103 28.300 ( -4.971 2.546 8.538) 10.203 28.300 ( 4.971 2.546 8.538) 10.203 28.891 ( -5.154 -1.598 -2.343) 5.883 28.891 ( 5.154 -1.598 -2.343) 5.883 29.124 ( -4.659 -2.385 4.006) 6.591 29.124 ( 4.659 -2.385 4.006) 6.591 29.631 ( -3.030 1.864 -4.499) 5.736 29.631 ( 3.030 1.864 -4.499) 5.736 30.196 ( -8.068 -2.809 -2.847) 9.005 30.196 ( 8.068 -2.809 -2.847) 9.005 30.540 ( -2.732 -5.484 -2.384) 6.575 30.540 ( 2.732 -5.484 -2.384) 6.575 36.827 ( -11.047 -0.944 -11.791) 16.185 36.827 ( 11.047 -0.944 -11.791) 16.185 37.853 ( -2.985 -3.681 26.896) 27.310 37.853 ( 2.985 -3.681 26.896) 27.310 38.720 ( -0.630 -7.075 0.527) 7.122 38.720 ( 0.630 -7.075 0.527) 7.122 40.650 ( -1.142 21.569 -19.703) 29.236 40.650 ( 1.142 21.569 -19.703) 29.236 42.339 ( -12.063 -2.016 5.380) 13.362 42.339 ( 12.063 -2.016 5.380) 13.362 42.655 ( -1.203 2.340 11.306) 11.608 42.655 ( 1.203 2.340 11.306) 11.608 43.255 ( -16.346 -2.239 -8.781) 18.690 43.255 ( 16.346 -2.239 -8.781) 18.690 43.586 ( -11.455 -4.100 2.064) 12.341 43.586 ( 11.455 -4.100 2.064) 12.341 44.012 ( -6.022 -11.989 1.468) 13.496 44.012 ( 6.022 -11.989 1.468) 13.496 44.392 ( -16.990 -9.479 -3.009) 19.687 44.392 ( 16.990 -9.479 -3.009) 19.687 48.824 ( -0.085 2.069 0.055) 2.072 48.824 ( 0.085 2.069 0.055) 2.072 50.787 ( -5.349 4.326 1.998) 7.164 50.787 ( 5.349 4.326 1.998) 7.164 51.106 ( -1.529 -1.678 -2.811) 3.614 51.106 ( 1.529 -1.678 -2.811) 3.614 53.656 ( -0.753 5.707 -0.459) 5.775 53.656 ( 0.753 5.707 -0.459) 5.775 ======================= Grid point 111 (28/45) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -0.912 -0.912 16.485) 16.536 1.950 ( -9.380 -9.380 7.728) 15.352 2.572 ( 9.738 9.738 1.181) 13.822 2.660 ( 7.409 7.409 2.022) 10.671 2.838 ( 11.383 11.383 -0.070) 16.098 2.905 ( 9.584 9.584 -2.924) 13.866 2.972 ( 14.641 14.641 4.743) 21.241 3.025 ( 2.979 2.979 -2.613) 4.958 3.257 ( -0.350 -0.350 4.368) 4.396 3.313 ( 1.418 1.418 -1.166) 2.320 3.563 ( 0.670 0.670 -2.366) 2.549 3.599 ( 6.428 6.428 0.816) 9.127 3.739 ( 2.202 2.202 1.086) 3.298 3.808 ( 7.092 7.092 -2.378) 10.307 3.844 ( -0.289 -0.289 3.050) 3.077 4.023 ( -0.921 -0.921 0.559) 1.418 4.068 ( -5.931 -5.931 6.176) 10.416 4.188 ( -6.256 -6.256 -9.936) 13.304 4.216 ( -5.328 -5.328 -2.643) 7.985 4.279 ( -7.170 -7.170 3.927) 10.873 4.319 ( -2.797 -2.797 4.647) 6.102 4.337 ( 0.590 0.590 -0.023) 0.834 4.554 ( 0.459 0.459 5.899) 5.935 4.573 ( 4.957 4.957 7.794) 10.482 4.786 ( 6.229 6.229 17.540) 19.628 5.036 ( -0.554 -0.554 -1.953) 2.104 5.159 ( -1.172 -1.172 -8.616) 8.775 5.441 ( -9.747 -9.747 6.527) 15.251 5.463 ( 6.085 6.085 -2.177) 8.876 5.655 ( 1.084 1.084 0.781) 1.721 5.689 ( -2.605 -2.605 8.602) 9.358 5.950 ( -6.772 -6.772 3.547) 10.213 6.012 ( 10.125 10.125 -0.638) 14.333 6.206 ( 8.858 8.858 -7.333) 14.515 6.207 ( 9.225 9.225 -10.280) 16.609 6.319 ( 2.597 2.597 -9.115) 9.828 6.505 ( -1.702 -1.702 -4.025) 4.689 6.571 ( 9.913 9.913 1.783) 14.132 6.684 ( 8.596 8.596 0.604) 12.171 6.836 ( -7.346 -7.346 -6.083) 12.039 7.675 ( 6.933 6.933 6.314) 11.662 7.701 ( -4.577 -4.577 3.123) 7.187 7.727 ( -3.996 -3.996 1.272) 5.793 8.044 ( -14.185 -14.185 -4.772) 20.621 8.114 ( -12.161 -12.161 7.712) 18.848 8.122 ( -11.519 -11.519 -5.191) 17.097 8.207 ( -11.155 -11.155 -2.665) 15.999 8.359 ( -15.733 -15.733 2.375) 22.376 9.349 ( 2.703 2.703 24.642) 24.937 9.356 ( 2.773 2.773 24.190) 24.506 11.674 ( 10.889 10.889 -21.943) 26.807 11.691 ( 10.340 10.340 -21.753) 26.211 14.193 ( 10.835 10.835 2.586) 15.540 14.268 ( 7.904 7.904 1.429) 11.269 14.397 ( 12.579 12.579 -1.858) 17.887 14.471 ( 9.529 9.529 -3.575) 13.942 19.343 ( -17.447 -17.447 1.042) 24.695 19.439 ( -22.122 -22.122 -1.300) 31.313 19.935 ( -16.835 -16.835 0.024) 23.809 19.943 ( -16.554 -16.554 -0.326) 23.413 20.092 ( 5.013 5.013 6.773) 9.804 20.254 ( -1.469 -1.469 5.472) 5.853 20.709 ( 6.190 6.190 -8.519) 12.215 20.816 ( 2.356 2.356 -10.074) 10.611 21.478 ( 1.035 1.035 20.086) 20.139 21.521 ( -2.050 -2.050 17.619) 17.855 22.392 ( -3.615 -3.615 -1.587) 5.354 22.502 ( -7.591 -7.591 0.511) 10.748 22.876 ( 17.052 17.052 -10.295) 26.221 23.128 ( -2.833 -2.833 -18.381) 18.813 23.183 ( 7.825 7.825 -6.072) 12.623 23.205 ( 22.874 22.874 -2.019) 32.411 23.607 ( 7.887 7.887 3.730) 11.761 23.957 ( 9.851 9.851 -7.473) 15.809 24.192 ( -1.709 -1.709 1.405) 2.795 24.543 ( -5.018 -5.018 -8.900) 11.383 24.867 ( -10.116 -10.116 -0.609) 14.320 24.920 ( -9.804 -9.804 -4.352) 14.532 25.130 ( 8.457 8.457 3.620) 12.495 25.286 ( 1.562 1.562 3.443) 4.091 25.361 ( 10.931 10.931 -1.710) 15.553 25.562 ( 2.253 2.253 -2.262) 3.908 25.819 ( -10.285 -10.285 0.074) 14.545 25.867 ( -10.873 -10.873 -3.757) 15.829 26.268 ( 5.260 5.260 21.186) 22.454 26.362 ( 0.696 0.696 17.176) 17.204 26.845 ( -3.920 -3.920 0.212) 5.548 27.030 ( -9.771 -9.771 2.182) 13.989 27.515 ( 13.293 13.293 -10.895) 21.729 27.718 ( 2.443 2.443 -17.451) 17.790 28.097 ( 3.666 3.666 -1.275) 5.339 28.109 ( 2.601 2.601 -1.917) 4.147 28.250 ( 4.140 4.140 9.993) 11.582 28.412 ( -0.412 -0.412 12.003) 12.017 28.826 ( 2.764 2.764 -3.716) 5.393 28.953 ( -2.156 -2.156 -2.829) 4.160 29.030 ( -1.095 -1.095 6.596) 6.775 29.166 ( -6.006 -6.006 3.823) 9.315 29.654 ( -0.268 -0.268 -4.346) 4.362 29.690 ( 1.010 1.010 -10.076) 10.176 30.019 ( 0.302 0.302 4.758) 4.777 30.265 ( -7.986 -7.986 0.408) 11.302 30.434 ( 1.444 1.444 -5.320) 5.698 30.506 ( -1.793 -1.793 -4.046) 4.775 36.706 ( 5.186 5.186 -8.547) 11.262 36.919 ( -5.804 -5.804 -15.853) 17.851 37.793 ( -2.283 -2.283 26.462) 26.658 37.865 ( -5.315 -5.315 26.904) 27.935 38.639 ( -2.737 -2.737 0.321) 3.884 38.654 ( -3.318 -3.318 -0.147) 4.694 40.881 ( 14.246 14.246 -21.375) 29.373 40.903 ( 13.010 13.010 -21.036) 27.947 42.170 ( 4.135 4.135 6.919) 9.059 42.442 ( -6.690 -6.690 4.965) 10.685 42.669 ( 1.752 1.752 12.057) 12.309 42.788 ( -2.135 -2.135 18.851) 19.091 42.890 ( 5.593 5.593 -12.410) 14.716 43.385 ( -5.315 -5.315 -4.799) 8.918 43.511 ( -4.952 -4.952 2.462) 7.423 43.707 ( 4.411 4.411 -2.154) 6.599 43.734 ( -5.467 -5.467 0.430) 7.743 43.901 ( -3.086 -3.086 -4.079) 5.974 44.194 ( -8.764 -8.764 2.547) 12.653 44.487 ( -17.325 -17.325 -3.937) 24.815 48.846 ( 1.123 1.123 0.073) 1.591 48.847 ( 1.057 1.057 0.033) 1.494 50.772 ( 5.010 5.010 2.970) 7.682 50.885 ( -1.416 -1.416 2.289) 3.041 51.058 ( 1.731 1.731 -3.548) 4.310 51.102 ( -0.508 -0.508 -3.036) 3.120 53.707 ( 4.227 4.227 -0.180) 5.981 53.725 ( 3.523 3.523 -0.668) 5.026 ======================= Grid point 112 (29/45) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -3.593 -6.466 15.191) 16.896 1.823 ( 3.593 -6.466 15.191) 16.896 2.711 ( -3.133 10.782 1.173) 11.290 2.711 ( 3.133 10.782 1.173) 11.290 2.984 ( -3.109 13.159 -2.836) 13.815 2.984 ( 3.109 13.159 -2.836) 13.815 3.090 ( -4.829 5.603 1.903) 7.637 3.090 ( 4.829 5.603 1.903) 7.637 3.296 ( -5.046 1.341 0.067) 5.221 3.296 ( 5.046 1.341 0.067) 5.221 3.587 ( -3.568 7.916 0.477) 8.696 3.587 ( 3.568 7.916 0.477) 8.696 3.785 ( -3.191 1.712 -1.312) 3.852 3.785 ( 3.191 1.712 -1.312) 3.852 4.004 ( -9.053 -6.106 -5.102) 12.052 4.004 ( 9.053 -6.106 -5.102) 12.052 4.056 ( -4.798 -4.820 -1.178) 6.902 4.056 ( 4.798 -4.820 -1.178) 6.902 4.145 ( -3.208 -6.131 3.608) 7.804 4.145 ( 3.208 -6.131 3.608) 7.804 4.323 ( -2.761 -0.499 4.117) 4.983 4.323 ( 2.761 -0.499 4.117) 4.983 4.565 ( -2.319 4.191 7.657) 9.032 4.565 ( 2.319 4.191 7.657) 9.032 5.025 ( -8.325 -1.083 5.287) 9.921 5.025 ( 8.325 -1.083 5.287) 9.921 5.188 ( -11.928 -4.003 2.665) 12.861 5.188 ( 11.928 -4.003 2.665) 12.861 5.581 ( -5.204 2.960 -0.504) 6.008 5.581 ( 5.204 2.960 -0.504) 6.008 5.779 ( -8.905 -4.546 6.933) 12.166 5.779 ( 8.905 -4.546 6.933) 12.166 6.141 ( -6.602 17.469 -4.165) 19.133 6.141 ( 6.602 17.469 -4.165) 19.133 6.403 ( -5.886 0.301 -10.184) 11.767 6.403 ( 5.886 0.301 -10.184) 11.767 6.643 ( -13.564 -7.966 -6.307) 16.947 6.643 ( 13.564 -7.966 -6.307) 16.947 6.734 ( -4.440 13.597 1.865) 14.425 6.734 ( 4.440 13.597 1.865) 14.425 7.629 ( -6.042 3.562 -1.791) 7.238 7.629 ( 6.042 3.562 -1.791) 7.238 7.856 ( -4.682 -5.652 2.484) 7.749 7.856 ( 4.682 -5.652 2.484) 7.749 7.958 ( -13.488 -11.989 1.842) 18.140 7.958 ( 13.488 -11.989 1.842) 18.140 8.164 ( -2.511 -20.507 -0.703) 20.672 8.164 ( 2.511 -20.507 -0.703) 20.672 9.380 ( -0.288 1.935 25.455) 25.530 9.380 ( 0.288 1.935 25.455) 25.530 11.788 ( -0.548 10.734 -22.430) 24.872 11.788 ( 0.548 10.734 -22.430) 24.872 14.250 ( -1.286 21.644 1.255) 21.718 14.250 ( 1.286 21.644 1.255) 21.718 14.639 ( -1.180 -1.916 -1.369) 2.634 14.639 ( 1.180 -1.916 -1.369) 2.634 19.119 ( -2.476 -7.640 0.081) 8.031 19.119 ( 2.476 -7.640 0.081) 8.031 19.828 ( -0.749 -28.571 -0.053) 28.581 19.828 ( 0.749 -28.571 -0.053) 28.581 20.191 ( -4.629 3.622 6.025) 8.417 20.191 ( 4.629 3.622 6.025) 8.417 20.811 ( -3.213 4.804 -9.871) 11.438 20.811 ( 3.213 4.804 -9.871) 11.438 21.495 ( -0.815 0.065 19.499) 19.516 21.495 ( 0.815 0.065 19.499) 19.516 22.385 ( -3.414 -9.280 -0.454) 9.899 22.385 ( 3.414 -9.280 -0.454) 9.899 23.048 ( -4.872 5.064 -18.612) 19.895 23.048 ( 4.872 5.064 -18.612) 19.895 23.338 ( -4.977 28.587 0.569) 29.023 23.338 ( 4.977 28.587 0.569) 29.023 23.932 ( -17.225 2.189 -0.204) 17.365 23.932 ( 17.225 2.189 -0.204) 17.365 24.308 ( -15.997 -2.294 -5.685) 17.132 24.308 ( 15.997 -2.294 -5.685) 17.132 24.796 ( -2.144 -13.742 -2.840) 14.195 24.796 ( 2.144 -13.742 -2.840) 14.195 25.245 ( -4.029 8.330 3.448) 9.875 25.245 ( 4.029 8.330 3.448) 9.875 25.535 ( -5.313 5.073 -2.041) 7.624 25.535 ( 5.313 5.073 -2.041) 7.624 25.733 ( -1.818 -12.850 -1.096) 13.024 25.733 ( 1.818 -12.850 -1.096) 13.024 26.347 ( -2.792 5.098 18.694) 19.576 26.347 ( 2.792 5.098 18.694) 19.576 26.869 ( -6.072 -9.971 1.617) 11.785 26.869 ( 6.072 -9.971 1.617) 11.785 27.699 ( -5.236 5.954 -16.550) 18.352 27.699 ( 5.236 5.954 -16.550) 18.352 28.126 ( -0.604 5.052 -0.210) 5.092 28.126 ( 0.604 5.052 -0.210) 5.092 28.354 ( -5.309 2.975 11.103) 12.661 28.354 ( 5.309 2.975 11.103) 12.661 28.892 ( -3.769 1.468 -2.485) 4.746 28.892 ( 3.769 1.468 -2.485) 4.746 29.062 ( -4.093 -3.805 5.212) 7.641 29.062 ( 4.093 -3.805 5.212) 7.641 29.672 ( -2.051 2.553 -6.622) 7.387 29.672 ( 2.051 2.553 -6.622) 7.387 30.103 ( -7.687 -6.261 2.264) 10.169 30.103 ( 7.687 -6.261 2.264) 10.169 30.473 ( -1.993 -1.531 -4.701) 5.330 30.473 ( 1.993 -1.531 -4.701) 5.330 36.809 ( -5.645 -0.763 -12.751) 13.965 36.809 ( 5.645 -0.763 -12.751) 13.965 37.791 ( -2.079 -2.448 26.752) 26.944 37.791 ( 2.079 -2.448 26.752) 26.944 38.618 ( -0.443 -3.551 -0.225) 3.586 38.618 ( 0.443 -3.551 -0.225) 3.586 41.031 ( -0.523 16.597 -22.376) 27.864 41.031 ( 0.523 16.597 -22.376) 27.864 42.289 ( -8.113 -2.927 6.307) 10.685 42.289 ( 8.113 -2.927 6.307) 10.685 42.712 ( -3.070 3.561 13.752) 14.534 42.712 ( 3.070 3.561 13.752) 14.534 43.119 ( -15.198 -9.506 -9.218) 20.157 43.119 ( 15.198 -9.506 -9.218) 20.157 43.581 ( -6.777 0.924 5.783) 8.957 43.581 ( 6.777 0.924 5.783) 8.957 43.842 ( -4.907 -4.045 -1.171) 6.466 43.842 ( 4.907 -4.045 -1.171) 6.466 44.204 ( -10.277 -9.371 -3.775) 14.411 44.204 ( 10.277 -9.371 -3.775) 14.411 48.857 ( -0.049 1.247 0.053) 1.249 48.857 ( 0.049 1.247 0.053) 1.249 50.843 ( -2.802 1.514 2.521) 4.062 50.843 ( 2.802 1.514 2.521) 4.062 51.088 ( -1.136 -0.240 -2.973) 3.192 51.088 ( 1.136 -0.240 -2.973) 3.192 53.756 ( -0.531 4.114 -0.366) 4.164 53.756 ( 0.531 4.114 -0.366) 4.164 ======================= Grid point 125 (30/45) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 0.000 17.978) 17.978 1.757 ( 0.000 0.000 17.978) 17.978 2.838 ( 0.000 0.000 0.760) 0.760 2.838 ( 0.000 0.000 0.760) 0.760 3.095 ( 0.000 0.000 1.524) 1.524 3.095 ( 0.000 0.000 1.524) 1.524 3.217 ( 0.000 0.000 0.154) 0.154 3.217 ( 0.000 0.000 0.154) 0.154 3.250 ( -0.000 -0.000 -4.880) 4.880 3.250 ( 0.000 0.000 -4.880) 4.880 3.743 ( -0.000 -0.000 -2.813) 2.813 3.743 ( 0.000 0.000 -2.813) 2.813 3.753 ( 0.000 0.000 2.894) 2.894 3.753 ( 0.000 0.000 2.894) 2.894 3.953 ( -0.000 -0.000 -1.759) 1.759 3.953 ( 0.000 0.000 -1.759) 1.759 3.961 ( -0.000 -0.000 -12.042) 12.042 3.961 ( 0.000 0.000 -12.042) 12.042 4.046 ( 0.000 0.000 10.384) 10.384 4.046 ( 0.000 0.000 10.384) 10.384 4.360 ( -0.000 -0.000 2.128) 2.128 4.360 ( 0.000 0.000 2.128) 2.128 4.603 ( 0.000 0.000 6.818) 6.818 4.603 ( 0.000 0.000 6.818) 6.818 5.061 ( 0.000 0.000 -2.386) 2.386 5.061 ( 0.000 0.000 -2.386) 2.386 5.106 ( -0.000 -0.000 16.473) 16.473 5.106 ( 0.000 0.000 16.473) 16.473 5.647 ( 0.000 0.000 2.884) 2.884 5.647 ( 0.000 0.000 2.884) 2.884 5.672 ( -0.000 -0.000 4.981) 4.981 5.672 ( 0.000 0.000 4.981) 4.981 6.415 ( -0.000 -0.000 -13.163) 13.163 6.415 ( 0.000 0.000 -13.163) 13.163 6.447 ( -0.000 -0.000 -2.494) 2.494 6.447 ( -0.000 -0.000 -2.494) 2.494 6.469 ( -0.000 -0.000 -9.374) 9.374 6.469 ( 0.000 0.000 -9.374) 9.374 6.891 ( 0.000 0.000 0.476) 0.476 6.891 ( 0.000 0.000 0.476) 0.476 7.697 ( 0.000 0.000 5.727) 5.727 7.697 ( 0.000 0.000 5.727) 5.727 7.724 ( -0.000 -0.000 -1.007) 1.007 7.724 ( 0.000 0.000 -1.007) 1.007 7.842 ( 0.000 0.000 1.482) 1.482 7.842 ( 0.000 0.000 1.482) 1.482 7.954 ( 0.000 0.000 -4.432) 4.432 7.954 ( 0.000 0.000 -4.432) 4.432 9.399 ( 0.000 0.000 27.173) 27.173 9.399 ( 0.000 0.000 27.173) 27.173 11.894 ( 0.000 0.000 -23.090) 23.090 11.894 ( 0.000 0.000 -23.090) 23.090 14.435 ( 0.000 0.000 3.041) 3.041 14.435 ( 0.000 0.000 3.041) 3.041 14.672 ( 0.000 0.000 -2.582) 2.582 14.672 ( 0.000 0.000 -2.582) 2.582 18.983 ( 0.000 0.000 0.458) 0.458 18.983 ( 0.000 0.000 0.458) 0.458 19.587 ( 0.000 0.000 -0.194) 0.194 19.587 ( 0.000 0.000 -0.194) 0.194 20.227 ( 0.000 0.000 6.256) 6.256 20.227 ( 0.000 0.000 6.256) 6.256 20.865 ( 0.000 0.000 -10.871) 10.871 20.865 ( 0.000 0.000 -10.871) 10.871 21.500 ( 0.000 0.000 20.411) 20.411 21.500 ( 0.000 0.000 20.411) 20.411 22.283 ( -0.000 -0.000 -0.327) 0.327 22.283 ( 0.000 0.000 -0.327) 0.327 23.065 ( 0.000 0.000 -20.141) 20.141 23.065 ( 0.000 0.000 -20.141) 20.141 23.801 ( -0.000 -0.000 4.100) 4.100 23.801 ( 0.000 0.000 4.100) 4.100 23.869 ( 0.000 0.000 0.372) 0.372 23.869 ( 0.000 0.000 0.372) 0.372 24.265 ( -0.000 -0.000 -11.123) 11.123 24.265 ( 0.000 0.000 -11.123) 11.123 24.624 ( 0.000 0.000 -1.173) 1.173 24.624 ( 0.000 0.000 -1.173) 1.173 25.315 ( 0.000 0.000 3.983) 3.983 25.315 ( 0.000 0.000 3.983) 3.983 25.594 ( 0.000 0.000 -0.164) 0.164 25.594 ( 0.000 0.000 -0.164) 0.164 25.600 ( -0.000 -0.000 -2.013) 2.013 25.600 ( 0.000 0.000 -2.013) 2.013 26.415 ( -0.000 -0.000 19.229) 19.229 26.415 ( 0.000 0.000 19.229) 19.229 26.752 ( 0.000 0.000 0.820) 0.820 26.752 ( 0.000 0.000 0.820) 0.820 27.759 ( 0.000 0.000 -18.181) 18.181 27.759 ( 0.000 0.000 -18.181) 18.181 28.172 ( 0.000 0.000 -0.418) 0.418 28.172 ( 0.000 0.000 -0.418) 0.418 28.390 ( -0.000 -0.000 12.230) 12.230 28.390 ( 0.000 0.000 12.230) 12.230 28.920 ( -0.000 -0.000 -4.027) 4.027 28.920 ( 0.000 0.000 -4.027) 4.027 29.011 ( 0.000 0.000 7.293) 7.293 29.011 ( 0.000 0.000 7.293) 7.293 29.708 ( 0.000 0.000 -8.924) 8.924 29.708 ( 0.000 0.000 -8.924) 8.924 30.024 ( -0.000 -0.000 5.268) 5.268 30.024 ( 0.000 0.000 5.268) 5.268 30.462 ( 0.000 0.000 -5.190) 5.190 30.462 ( 0.000 0.000 -5.190) 5.190 36.802 ( 0.000 0.000 -13.121) 13.121 36.802 ( 0.000 0.000 -13.121) 13.121 37.767 ( 0.000 0.000 26.669) 26.669 37.767 ( 0.000 0.000 26.669) 26.669 38.585 ( 0.000 0.000 -0.440) 0.440 38.585 ( 0.000 0.000 -0.440) 0.440 41.206 ( 0.000 0.000 -24.776) 24.776 41.206 ( 0.000 0.000 -24.776) 24.776 42.253 ( -0.000 -0.000 7.617) 7.617 42.253 ( 0.000 0.000 7.617) 7.617 42.763 ( 0.000 0.000 18.680) 18.680 42.763 ( 0.000 0.000 18.680) 18.680 43.001 ( 0.000 0.000 -12.306) 12.306 43.001 ( 0.000 0.000 -12.306) 12.306 43.577 ( 0.000 0.000 6.835) 6.835 43.577 ( 0.000 0.000 6.835) 6.835 43.838 ( 0.000 0.000 -1.641) 1.641 43.838 ( 0.000 0.000 -1.641) 1.641 44.091 ( -0.000 -0.000 -4.927) 4.927 44.091 ( -0.000 -0.000 -4.927) 4.927 48.869 ( 0.000 0.000 0.050) 0.050 48.869 ( 0.000 0.000 0.050) 0.050 50.855 ( 0.000 0.000 2.573) 2.573 50.855 ( 0.000 0.000 2.573) 2.573 51.088 ( 0.000 0.000 -2.893) 2.893 51.088 ( 0.000 0.000 -2.893) 2.893 53.797 ( 0.000 0.000 -0.324) 0.324 53.797 ( 0.000 0.000 -0.324) 0.324 ======================= Grid point 162 (31/45) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 -0.000 33.216) 33.216 1.503 ( 0.000 0.000 33.216) 33.216 2.027 ( 0.000 0.000 -18.128) 18.128 2.027 ( -0.000 -0.000 -18.128) 18.128 2.098 ( -0.000 -0.000 3.613) 3.613 2.169 ( -0.000 0.000 -3.476) 3.476 2.484 ( 0.000 0.000 56.984) 56.984 2.908 ( 0.000 0.000 0.695) 0.695 2.908 ( 0.000 0.000 0.695) 0.695 2.951 ( 0.000 0.000 -2.601) 2.601 2.951 ( -0.000 -0.000 -2.601) 2.601 3.429 ( 0.000 0.000 -36.146) 36.146 3.640 ( -0.000 0.000 1.195) 1.195 3.646 ( -0.000 0.000 -0.143) 0.143 3.819 ( 0.000 0.000 0.935) 0.935 3.819 ( 0.000 0.000 0.935) 0.935 3.840 ( 0.000 0.000 11.559) 11.559 3.869 ( 0.000 0.000 -4.667) 4.667 3.869 ( -0.000 0.000 -4.667) 4.667 4.178 ( 0.000 0.000 -24.675) 24.675 4.564 ( -0.000 0.000 8.364) 8.364 4.564 ( 0.000 0.000 8.364) 8.364 4.634 ( -0.000 0.000 1.304) 1.304 4.666 ( -0.000 0.000 -2.106) 2.106 4.699 ( -0.000 0.000 -4.970) 4.970 4.699 ( 0.000 0.000 -4.970) 4.970 5.390 ( 0.000 0.000 8.069) 8.069 5.390 ( 0.000 0.000 8.069) 8.069 5.476 ( 0.000 0.000 -1.729) 1.729 5.476 ( 0.000 0.000 -1.729) 1.729 5.534 ( 0.000 0.000 20.728) 20.728 5.794 ( -0.000 0.000 2.956) 2.956 5.839 ( 0.000 0.000 -0.769) 0.769 5.975 ( -0.000 0.000 -23.782) 23.782 6.351 ( 0.000 0.000 11.432) 11.432 6.351 ( 0.000 0.000 11.432) 11.432 6.599 ( -0.000 0.000 -12.325) 12.325 6.599 ( 0.000 0.000 -12.325) 12.325 6.828 ( 0.000 0.000 7.941) 7.941 6.982 ( 0.000 0.000 -7.201) 7.201 8.019 ( -0.000 -0.000 18.688) 18.688 8.340 ( -0.000 -0.000 -13.788) 13.788 8.962 ( -0.000 -0.000 14.078) 14.078 8.962 ( -0.000 0.000 14.078) 14.078 9.107 ( -0.000 -0.000 -4.892) 4.892 9.107 ( 0.000 -0.000 -4.892) 4.892 9.112 ( 0.000 0.000 16.789) 16.789 9.231 ( 0.000 0.000 26.292) 26.292 9.231 ( -0.000 0.000 26.292) 26.292 9.420 ( 0.000 0.000 -13.937) 13.937 9.838 ( -0.000 0.000 -27.925) 27.925 9.838 ( 0.000 0.000 -27.925) 27.925 13.336 ( -0.000 -0.000 1.060) 1.060 13.336 ( -0.000 -0.000 1.060) 1.060 13.416 ( -0.000 -0.000 -6.588) 6.588 13.416 ( 0.000 0.000 -6.588) 6.588 20.402 ( 0.000 0.000 3.388) 3.388 20.502 ( 0.000 0.000 -6.902) 6.902 20.648 ( 0.000 0.000 2.008) 2.008 20.708 ( 0.000 0.000 -4.348) 4.348 20.759 ( -0.000 0.000 10.232) 10.232 20.759 ( 0.000 0.000 10.232) 10.232 20.967 ( 0.000 0.000 -10.417) 10.417 20.967 ( -0.000 0.000 -10.417) 10.417 21.677 ( 0.000 0.000 3.281) 3.281 21.724 ( 0.000 0.000 -1.905) 1.905 21.878 ( 0.000 0.000 20.049) 20.049 22.103 ( -0.000 0.000 28.459) 28.459 22.241 ( -0.000 0.000 -16.218) 16.218 22.649 ( 0.000 0.000 -25.391) 25.391 23.325 ( 0.000 0.000 5.720) 5.720 23.325 ( 0.000 0.000 5.720) 5.720 23.457 ( 0.000 0.000 -7.529) 7.529 23.457 ( 0.000 0.000 -7.529) 7.529 24.062 ( -0.000 -0.000 4.367) 4.367 24.165 ( 0.000 0.000 -5.696) 5.696 24.231 ( 0.000 0.000 5.744) 5.744 24.231 ( -0.000 0.000 5.744) 5.744 24.335 ( 0.000 0.000 -4.587) 4.587 24.335 ( -0.000 0.000 -4.587) 4.587 25.932 ( 0.000 0.000 1.237) 1.237 25.932 ( -0.000 -0.000 1.237) 1.237 25.963 ( -0.000 0.000 -1.787) 1.787 25.963 ( 0.000 0.000 -1.787) 1.787 26.447 ( 0.000 0.000 11.436) 11.436 26.632 ( 0.000 0.000 4.014) 4.014 26.703 ( -0.000 0.000 -3.107) 3.107 26.721 ( 0.000 0.000 -16.166) 16.166 27.576 ( -0.000 0.000 8.329) 8.329 27.576 ( 0.000 0.000 8.329) 8.329 27.735 ( 0.000 0.000 -7.514) 7.514 27.735 ( 0.000 0.000 -7.514) 7.514 27.909 ( 0.000 0.000 2.119) 2.119 27.955 ( 0.000 0.000 -2.472) 2.472 28.597 ( -0.000 -0.000 8.397) 8.397 28.732 ( -0.000 -0.000 -5.332) 5.332 29.497 ( 0.000 0.000 4.750) 4.750 29.588 ( -0.000 0.000 -4.261) 4.261 29.927 ( 0.000 0.000 7.555) 7.555 29.927 ( 0.000 0.000 7.555) 7.555 30.083 ( -0.000 -0.000 -7.933) 7.933 30.083 ( 0.000 -0.000 -7.933) 7.933 30.362 ( -0.000 0.000 2.099) 2.099 30.402 ( 0.000 0.000 -1.845) 1.845 36.406 ( 0.000 0.000 24.462) 24.462 36.964 ( 0.000 0.000 -31.880) 31.880 38.931 ( 0.000 0.000 22.251) 22.251 38.931 ( 0.000 0.000 22.251) 22.251 39.405 ( -0.000 0.000 -24.937) 24.937 39.405 ( 0.000 0.000 -24.937) 24.937 39.493 ( -0.000 0.000 22.404) 22.404 39.859 ( 0.000 0.000 -14.961) 14.961 41.757 ( -0.000 -0.000 8.781) 8.781 41.960 ( -0.000 0.000 -11.843) 11.843 42.869 ( -0.000 0.000 15.975) 15.975 42.869 ( -0.000 -0.000 15.975) 15.975 43.026 ( -0.000 -0.000 10.510) 10.510 43.156 ( 0.000 0.000 -12.750) 12.750 43.156 ( 0.000 0.000 -12.750) 12.750 43.203 ( 0.000 0.000 -7.486) 7.486 45.685 ( 0.000 0.000 0.501) 0.501 45.698 ( 0.000 0.000 -0.850) 0.850 46.458 ( -0.000 -0.000 0.878) 0.878 46.473 ( 0.000 0.000 -0.588) 0.588 48.739 ( 0.000 0.000 0.065) 0.065 48.739 ( 0.000 0.000 0.065) 0.065 48.740 ( 0.000 -0.000 -0.068) 0.068 48.740 ( 0.000 0.000 -0.068) 0.068 51.020 ( 0.000 -0.000 1.492) 1.492 51.051 ( 0.000 0.000 -1.549) 1.549 53.409 ( 0.000 0.000 0.773) 0.773 53.425 ( 0.000 0.000 -0.779) 0.779 ======================= Grid point 163 (32/45) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 2.017 0.000 34.338) 34.397 1.623 ( 11.715 0.000 28.792) 31.085 2.054 ( 2.790 0.000 -16.753) 16.984 2.073 ( 4.450 0.000 -13.972) 14.664 2.143 ( 4.447 0.000 -2.475) 5.090 2.190 ( 2.497 0.000 -3.815) 4.559 2.739 ( 20.302 0.000 39.553) 44.459 2.877 ( -2.075 0.000 2.540) 3.280 2.937 ( 1.593 0.000 -1.998) 2.556 2.987 ( 2.995 0.000 -2.776) 4.084 3.049 ( 11.198 0.000 3.186) 11.643 3.465 ( 0.927 0.000 -16.681) 16.706 3.608 ( -2.048 0.000 3.086) 3.704 3.666 ( 4.723 0.000 -3.619) 5.950 3.795 ( -3.366 0.000 9.112) 9.714 3.804 ( -1.873 0.000 0.764) 2.023 3.848 ( -2.370 0.000 -3.854) 4.524 3.955 ( 12.974 0.000 2.218) 13.162 3.964 ( 4.669 0.000 -5.610) 7.299 4.203 ( 7.958 0.000 -27.218) 28.357 4.412 ( -8.680 0.000 6.292) 10.721 4.499 ( -5.925 0.000 -0.785) 5.977 4.677 ( 5.858 0.000 3.687) 6.922 4.769 ( 7.276 0.000 -3.618) 8.126 4.811 ( 6.810 0.000 -0.646) 6.841 4.823 ( 7.069 0.000 -1.454) 7.217 5.332 ( -6.165 0.000 12.159) 13.632 5.394 ( -0.677 0.000 4.449) 4.500 5.425 ( -8.849 0.000 7.190) 11.402 5.473 ( 0.081 0.000 -1.044) 1.047 5.563 ( 6.551 0.000 6.579) 9.285 5.727 ( -2.669 0.000 6.942) 7.438 5.798 ( -2.623 0.000 -3.627) 4.476 5.917 ( -4.727 0.000 -20.585) 21.121 6.319 ( -2.903 0.000 10.570) 10.961 6.356 ( 0.125 0.000 9.646) 9.646 6.531 ( -5.532 0.000 -8.764) 10.364 6.580 ( -1.832 0.000 -11.552) 11.696 6.807 ( -2.748 0.000 7.515) 8.002 6.967 ( -3.064 0.000 -8.887) 9.400 7.950 ( -5.916 0.000 18.485) 19.408 8.240 ( -8.284 0.000 -10.320) 13.234 8.840 ( -14.794 0.000 8.154) 16.893 8.946 ( -10.567 0.000 -2.479) 10.854 9.012 ( -4.257 0.000 8.752) 9.732 9.037 ( -0.285 0.000 1.793) 1.815 9.163 ( 0.263 0.000 2.547) 2.560 9.247 ( 3.062 0.000 32.340) 32.485 9.325 ( 5.720 0.000 28.528) 29.096 9.342 ( -5.506 0.000 -9.849) 11.283 9.943 ( 11.478 0.000 -27.700) 29.984 10.005 ( 15.784 0.000 -28.209) 32.325 13.314 ( -2.786 0.000 0.593) 2.848 13.364 ( -2.292 0.000 -4.014) 4.622 13.523 ( 16.302 0.000 -1.593) 16.380 13.561 ( 15.738 0.000 -5.062) 16.533 20.190 ( -11.073 0.000 5.910) 12.551 20.330 ( -8.193 0.000 -8.532) 11.829 20.600 ( -3.911 0.000 1.685) 4.259 20.648 ( -3.205 0.000 -3.250) 4.564 20.918 ( 4.684 0.000 0.643) 4.727 20.926 ( 3.439 0.000 -0.401) 3.462 21.347 ( 22.605 0.000 0.323) 22.608 21.386 ( 35.561 0.000 -4.064) 35.793 21.503 ( -21.856 0.000 1.343) 21.897 21.523 ( -14.339 0.000 -0.644) 14.354 21.864 ( 3.812 0.000 11.392) 12.013 22.033 ( -7.219 0.000 14.177) 15.909 22.140 ( -2.736 0.000 4.726) 5.461 22.632 ( -1.385 0.000 -25.563) 25.600 23.144 ( -19.502 0.000 14.289) 24.176 23.325 ( -1.563 0.000 1.561) 2.209 23.430 ( -6.027 0.000 -8.887) 10.738 23.465 ( 2.014 0.000 -6.277) 6.592 23.766 ( -0.975 0.000 2.721) 2.890 23.864 ( 4.510 0.000 -7.483) 8.737 24.269 ( -0.845 0.000 0.906) 1.239 24.279 ( -1.021 0.000 -0.570) 1.169 24.783 ( 26.096 0.000 3.282) 26.302 24.854 ( 25.736 0.000 -3.576) 25.984 25.842 ( -9.491 0.000 0.672) 9.515 25.852 ( -8.383 0.000 -0.299) 8.388 25.972 ( 2.868 0.000 1.777) 3.374 25.994 ( 4.587 0.000 -0.999) 4.694 26.453 ( 0.258 0.000 12.001) 12.004 26.665 ( 2.533 0.000 3.602) 4.404 26.706 ( -0.602 0.000 -7.693) 7.717 26.754 ( 2.205 0.000 -10.921) 11.142 27.574 ( 0.311 0.000 7.897) 7.903 27.574 ( 0.148 0.000 8.115) 8.116 27.733 ( -0.184 0.000 -7.472) 7.475 27.739 ( 0.419 0.000 -7.635) 7.646 28.055 ( 9.431 0.000 1.724) 9.587 28.160 ( 21.366 0.000 -10.925) 23.997 28.595 ( 0.014 0.000 8.711) 8.711 28.736 ( 0.439 0.000 -5.581) 5.598 29.427 ( -6.125 0.000 5.008) 7.912 29.523 ( -5.691 0.000 -4.505) 7.259 29.874 ( -7.285 0.000 6.223) 9.581 29.889 ( -5.214 0.000 4.501) 6.888 30.053 ( -0.646 0.000 -3.537) 3.596 30.089 ( 1.501 0.000 -6.977) 7.136 30.435 ( 6.267 0.000 0.244) 6.271 30.451 ( 4.557 0.000 -1.123) 4.693 36.430 ( 2.496 0.000 22.512) 22.650 36.944 ( -2.043 0.000 -29.298) 29.369 38.951 ( 1.269 0.000 22.554) 22.589 38.960 ( 2.585 0.000 21.952) 22.104 39.319 ( -16.248 0.000 17.956) 24.216 39.398 ( -5.358 0.000 -17.938) 18.721 39.432 ( 2.428 0.000 -24.984) 25.102 39.584 ( -18.790 0.000 -10.635) 21.591 41.816 ( 6.171 0.000 8.923) 10.849 42.023 ( 6.474 0.000 -11.969) 13.608 42.881 ( 0.609 0.000 14.906) 14.918 42.898 ( 1.842 0.000 15.516) 15.625 43.043 ( 0.759 0.000 4.883) 4.942 43.174 ( 1.295 0.000 -11.553) 11.625 43.212 ( 6.632 0.000 -5.159) 8.402 43.283 ( 8.962 0.000 -7.390) 11.615 45.098 ( -46.463 0.000 16.926) 49.449 45.340 ( -33.702 0.000 -8.807) 34.834 46.090 ( -28.389 0.000 2.463) 28.495 46.147 ( -21.885 0.000 -3.356) 22.140 48.744 ( 0.400 0.000 0.020) 0.401 48.744 ( 0.443 0.000 -0.018) 0.444 49.282 ( 43.192 0.000 6.703) 43.709 49.499 ( 52.964 0.000 -17.363) 55.737 51.018 ( -0.057 0.000 1.624) 1.625 51.052 ( 0.224 0.000 -1.733) 1.747 53.413 ( 0.711 0.000 0.640) 0.957 53.428 ( 0.446 0.000 -0.747) 0.870 ======================= Grid point 164 (33/45) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 15.878 0.000 22.518) 27.553 1.896 ( 14.831 0.000 17.227) 22.732 2.129 ( 5.247 0.000 -9.590) 10.932 2.167 ( 4.584 0.000 -2.434) 5.190 2.258 ( 7.544 0.000 -11.575) 13.816 2.268 ( 5.284 0.000 -5.293) 7.479 2.864 ( 0.857 0.000 9.438) 9.477 2.957 ( 2.401 0.000 4.585) 5.175 3.013 ( -1.630 0.000 -1.668) 2.332 3.015 ( 5.032 0.000 -3.797) 6.304 3.319 ( 11.322 0.000 9.372) 14.697 3.444 ( -0.643 0.000 -4.283) 4.331 3.623 ( 1.292 0.000 11.509) 11.582 3.709 ( -5.609 0.000 -2.419) 6.109 3.722 ( -2.104 0.000 9.316) 9.551 3.827 ( 5.537 0.000 3.179) 6.385 3.873 ( 10.943 0.000 -0.461) 10.952 4.073 ( 11.837 0.000 -10.644) 15.919 4.216 ( 4.508 0.000 2.477) 5.143 4.312 ( 4.834 0.000 5.615) 7.409 4.344 ( -4.749 0.000 -8.332) 9.590 4.477 ( 7.827 0.000 -14.432) 16.417 4.745 ( 0.533 0.000 4.662) 4.693 4.840 ( -1.092 0.000 -4.042) 4.187 4.916 ( 1.399 0.000 3.429) 3.703 4.924 ( 4.813 0.000 -1.282) 4.980 5.215 ( -4.451 0.000 8.831) 9.889 5.248 ( -4.159 0.000 11.422) 12.155 5.345 ( -3.287 0.000 -4.920) 5.917 5.487 ( 1.355 0.000 -5.056) 5.234 5.690 ( 2.693 0.000 4.637) 5.362 5.767 ( -1.971 0.000 -8.571) 8.795 5.795 ( 10.816 0.000 4.467) 11.702 5.900 ( 5.984 0.000 -5.235) 7.950 6.277 ( -0.098 0.000 8.498) 8.498 6.355 ( 0.297 0.000 6.659) 6.665 6.440 ( -3.169 0.000 -5.574) 6.412 6.518 ( -5.491 0.000 -7.629) 9.399 6.727 ( -4.463 0.000 3.275) 5.535 6.850 ( -8.342 0.000 -8.947) 12.233 7.821 ( -8.548 0.000 15.947) 18.094 8.058 ( -11.821 0.000 -7.505) 14.002 8.503 ( -17.991 0.000 6.529) 19.139 8.616 ( -19.963 0.000 -5.020) 20.585 8.855 ( -10.665 0.000 14.452) 17.962 9.034 ( -3.770 0.000 -4.129) 5.591 9.157 ( -0.492 0.000 0.394) 0.630 9.180 ( -6.932 0.000 -0.394) 6.943 9.345 ( 5.698 0.000 25.636) 26.262 9.441 ( 3.856 0.000 20.242) 20.606 10.250 ( 18.458 0.000 -20.768) 27.785 10.350 ( 18.139 0.000 -25.590) 31.367 13.241 ( -4.428 0.000 -0.073) 4.428 13.290 ( -4.866 0.000 -4.969) 6.955 13.979 ( 29.814 0.000 -0.630) 29.821 13.995 ( 28.519 0.000 -2.342) 28.615 20.064 ( -3.159 0.000 6.722) 7.427 20.200 ( -10.855 0.000 -6.684) 12.748 20.471 ( -22.752 0.000 1.455) 22.799 20.520 ( -37.719 0.000 -3.775) 37.908 20.537 ( -21.597 0.000 0.985) 21.619 20.588 ( -13.121 0.000 -3.883) 13.684 21.266 ( 5.757 0.000 2.668) 6.345 21.306 ( 6.542 0.000 -1.684) 6.756 21.761 ( 6.582 0.000 10.404) 12.311 21.902 ( 5.516 0.000 3.905) 6.759 22.106 ( 7.456 0.000 13.108) 15.080 22.123 ( 17.456 0.000 1.448) 17.516 22.154 ( 18.231 0.000 2.437) 18.393 22.616 ( 1.097 0.000 -24.797) 24.821 22.890 ( -4.661 0.000 13.551) 14.330 23.202 ( -6.518 0.000 -16.134) 17.401 23.423 ( 3.817 0.000 3.591) 5.241 23.513 ( 2.994 0.000 -5.175) 5.979 23.933 ( 12.465 0.000 4.627) 13.296 24.084 ( 12.272 0.000 -10.315) 16.031 24.246 ( -1.395 0.000 0.260) 1.419 24.253 ( -1.448 0.000 -1.370) 1.993 25.170 ( 14.527 0.000 2.849) 14.803 25.219 ( 13.483 0.000 -1.628) 13.581 25.634 ( -11.414 0.000 1.311) 11.489 25.659 ( -10.987 0.000 -1.042) 11.036 26.066 ( 7.035 0.000 6.582) 9.633 26.141 ( 10.776 0.000 -1.859) 10.935 26.452 ( -0.167 0.000 13.726) 13.727 26.679 ( -2.605 0.000 -1.628) 3.072 26.697 ( 0.821 0.000 0.628) 1.034 26.780 ( 1.647 0.000 -15.255) 15.343 27.578 ( 0.263 0.000 7.817) 7.821 27.590 ( 0.904 0.000 5.220) 5.298 27.721 ( -1.328 0.000 -6.427) 6.563 27.742 ( -0.476 0.000 -7.515) 7.530 28.256 ( 9.755 0.000 8.403) 12.876 28.465 ( 3.941 0.000 -5.463) 6.737 28.670 ( 11.220 0.000 -5.519) 12.504 28.755 ( 1.938 0.000 -5.838) 6.151 29.308 ( -5.521 0.000 5.385) 7.713 29.415 ( -4.712 0.000 -5.284) 7.080 29.673 ( -12.276 0.000 5.793) 13.574 29.743 ( -9.025 0.000 -0.875) 9.067 30.062 ( 0.976 0.000 0.215) 0.999 30.122 ( 1.250 0.000 -5.792) 5.925 30.553 ( 5.680 0.000 -0.093) 5.681 30.562 ( 6.353 0.000 -1.013) 6.433 36.499 ( 4.533 0.000 16.660) 17.265 36.889 ( -3.553 0.000 -22.780) 23.055 38.855 ( -17.166 0.000 23.884) 29.413 38.912 ( -17.600 0.000 20.700) 27.171 39.047 ( -0.286 0.000 11.023) 11.027 39.109 ( -5.983 0.000 6.217) 8.628 39.500 ( 4.322 0.000 -24.408) 24.788 39.539 ( 3.696 0.000 -25.654) 25.919 41.987 ( 11.521 0.000 9.352) 14.839 42.202 ( 11.984 0.000 -12.251) 17.138 42.877 ( -1.112 0.000 11.874) 11.926 42.910 ( -1.241 0.000 13.945) 14.000 43.032 ( -1.412 0.000 0.724) 1.587 43.196 ( 0.780 0.000 -11.091) 11.118 43.404 ( 12.385 0.000 8.254) 14.884 43.541 ( 17.400 0.000 -6.159) 18.458 44.373 ( -26.664 0.000 9.896) 28.441 44.623 ( -36.174 0.000 -14.287) 38.893 45.538 ( -29.866 0.000 6.975) 30.670 45.664 ( -28.623 0.000 -5.860) 29.217 48.753 ( 0.557 0.000 0.060) 0.560 48.754 ( 0.570 0.000 -0.039) 0.572 50.045 ( 33.134 0.000 9.529) 34.477 50.298 ( 29.048 0.000 -16.505) 33.410 51.027 ( 1.267 0.000 1.343) 1.846 51.063 ( 1.017 0.000 -2.076) 2.312 53.443 ( 2.331 0.000 -0.087) 2.333 53.448 ( 1.713 0.000 -0.453) 1.772 ======================= Grid point 165 (34/45) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 16.601 0.000 3.901) 17.053 2.091 ( 5.030 0.000 -1.195) 5.170 2.242 ( 4.539 0.000 8.456) 9.597 2.271 ( 7.971 0.000 6.075) 10.022 2.367 ( 4.605 0.000 -1.245) 4.771 2.434 ( 10.760 0.000 -11.758) 15.938 2.834 ( -7.362 0.000 9.389) 11.931 2.924 ( -5.865 0.000 -2.498) 6.375 2.990 ( 3.855 0.000 2.610) 4.656 3.106 ( 6.048 0.000 -6.563) 8.924 3.356 ( -6.592 0.000 3.409) 7.421 3.455 ( -1.671 0.000 -4.819) 5.101 3.596 ( -2.536 0.000 1.059) 2.749 3.639 ( 6.010 0.000 2.347) 6.452 3.745 ( 1.337 0.000 10.059) 10.147 3.896 ( 1.849 0.000 -1.018) 2.110 4.106 ( -2.760 0.000 2.011) 3.415 4.192 ( -8.793 0.000 -5.069) 10.150 4.292 ( 19.785 0.000 7.259) 21.075 4.359 ( 12.132 0.000 0.124) 12.133 4.432 ( 0.169 0.000 -0.126) 0.211 4.506 ( -1.940 0.000 -6.921) 7.188 4.748 ( 0.545 0.000 3.578) 3.620 4.811 ( -0.455 0.000 -1.919) 1.972 4.869 ( -3.292 0.000 6.601) 7.377 4.970 ( -0.412 0.000 -5.364) 5.380 5.220 ( 2.430 0.000 3.293) 4.093 5.269 ( -4.808 0.000 -2.871) 5.600 5.288 ( 7.083 0.000 10.804) 12.919 5.542 ( 2.389 0.000 -10.847) 11.107 5.744 ( 0.428 0.000 3.796) 3.820 5.762 ( 6.236 0.000 1.885) 6.515 5.932 ( -0.246 0.000 8.118) 8.122 6.041 ( 1.949 0.000 -2.998) 3.576 6.349 ( 3.012 0.000 3.224) 4.412 6.422 ( 1.009 0.000 -1.940) 2.187 6.440 ( 10.801 0.000 -0.291) 10.805 6.455 ( 10.031 0.000 -0.764) 10.060 6.662 ( -2.853 0.000 -3.742) 4.706 6.698 ( -6.097 0.000 -7.609) 9.751 7.540 ( -21.053 0.000 7.218) 22.256 7.708 ( -25.330 0.000 -8.889) 26.845 8.274 ( -4.650 0.000 5.528) 7.224 8.323 ( -8.549 0.000 0.904) 8.597 8.675 ( -6.467 0.000 16.188) 17.432 8.855 ( -11.926 0.000 -2.152) 12.119 9.132 ( -0.165 0.000 1.645) 1.653 9.146 ( -0.579 0.000 -0.134) 0.594 9.437 ( 3.740 0.000 18.181) 18.562 9.486 ( 1.097 0.000 14.752) 14.792 10.565 ( 13.069 0.000 -16.893) 21.358 10.632 ( 10.169 0.000 -21.505) 23.788 13.165 ( -2.962 0.000 -1.177) 3.188 13.197 ( -4.288 0.000 -4.414) 6.154 14.564 ( 27.511 0.000 -0.367) 27.513 14.566 ( 27.993 0.000 -0.554) 27.999 19.533 ( -38.121 0.000 2.164) 38.182 19.589 ( -40.418 0.000 -3.463) 40.566 20.121 ( 3.160 0.000 7.932) 8.539 20.287 ( 0.849 0.000 -7.842) 7.888 20.380 ( -6.733 0.000 2.987) 7.366 20.474 ( -5.691 0.000 -5.682) 8.042 21.411 ( 6.793 0.000 1.255) 6.907 21.441 ( 5.574 0.000 -1.979) 5.915 21.843 ( 3.386 0.000 12.608) 13.055 21.927 ( -0.302 0.000 10.568) 10.572 22.131 ( 1.600 0.000 13.043) 13.140 22.249 ( -1.826 0.000 9.491) 9.665 22.555 ( 13.776 0.000 -10.043) 17.048 22.685 ( 2.923 0.000 -24.612) 24.785 22.947 ( 8.263 0.000 4.936) 9.625 23.126 ( -2.121 0.000 -12.834) 13.009 23.530 ( 6.705 0.000 2.119) 7.031 23.583 ( 4.028 0.000 -3.078) 5.070 24.139 ( 7.331 0.000 3.960) 8.332 24.204 ( -0.384 0.000 0.810) 0.896 24.229 ( 0.424 0.000 -1.121) 1.199 24.267 ( 3.432 0.000 -8.718) 9.370 25.351 ( 4.394 0.000 1.520) 4.650 25.382 ( 2.542 0.000 -1.496) 2.949 25.442 ( -6.283 0.000 1.652) 6.496 25.467 ( -7.525 0.000 -0.770) 7.564 26.222 ( 8.076 0.000 11.121) 13.744 26.341 ( 5.784 0.000 -1.805) 6.059 26.469 ( 3.300 0.000 17.137) 17.452 26.611 ( -3.998 0.000 3.900) 5.585 26.739 ( 5.376 0.000 -7.558) 9.275 26.842 ( 4.270 0.000 -19.727) 20.184 27.574 ( -0.889 0.000 6.925) 6.982 27.596 ( -0.654 0.000 3.826) 3.882 27.685 ( -1.933 0.000 -4.920) 5.286 27.708 ( -2.941 0.000 -6.368) 7.015 28.375 ( 2.631 0.000 8.534) 8.930 28.438 ( -3.133 0.000 5.402) 6.244 28.823 ( 4.898 0.000 -4.043) 6.351 28.860 ( 5.982 0.000 -10.151) 11.782 29.239 ( -1.308 0.000 6.281) 6.416 29.374 ( 0.757 0.000 -7.529) 7.567 29.444 ( -10.880 0.000 7.450) 13.186 29.574 ( -8.199 0.000 -5.002) 9.605 30.085 ( 1.387 0.000 -0.939) 1.675 30.129 ( -0.388 0.000 -5.232) 5.247 30.648 ( 3.860 0.000 0.124) 3.862 30.659 ( 3.525 0.000 -0.972) 3.657 36.598 ( 5.703 0.000 7.419) 9.358 36.810 ( -4.775 0.000 -14.013) 14.805 38.531 ( -12.203 0.000 19.593) 23.082 38.580 ( -13.858 0.000 15.201) 20.570 39.080 ( 1.592 0.000 12.070) 12.175 39.094 ( 0.570 0.000 10.305) 10.321 39.580 ( 3.648 0.000 -23.289) 23.573 39.605 ( 2.607 0.000 -24.590) 24.728 42.243 ( 14.843 0.000 9.914) 17.850 42.457 ( 13.677 0.000 -10.994) 17.548 42.807 ( -9.568 0.000 9.691) 13.618 42.836 ( -3.467 0.000 7.258) 8.043 43.033 ( 2.134 0.000 6.329) 6.679 43.188 ( -2.099 0.000 -9.312) 9.545 43.616 ( 7.250 0.000 11.899) 13.934 43.873 ( 6.638 0.000 -12.928) 14.533 44.110 ( -6.027 0.000 -2.652) 6.585 44.126 ( 2.412 0.000 -3.358) 4.135 44.959 ( -29.957 0.000 7.161) 30.801 45.084 ( -31.148 0.000 -5.633) 31.653 48.763 ( 0.402 0.000 0.064) 0.407 48.764 ( 0.371 0.000 -0.016) 0.371 50.504 ( 15.381 0.000 6.130) 16.557 50.635 ( 7.969 0.000 -6.575) 10.331 51.074 ( 3.212 0.000 -0.620) 3.271 51.093 ( 1.885 0.000 -2.024) 2.765 53.487 ( 2.031 0.000 -0.165) 2.037 53.490 ( 2.129 0.000 -0.535) 2.195 ======================= Grid point 166 (35/45) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -0.254 0.000 -1.248) 1.274 2.139 ( 0.254 0.000 -1.248) 1.274 2.350 ( -0.690 0.000 -0.009) 0.690 2.350 ( 0.690 0.000 -0.009) 0.690 2.495 ( -9.153 0.000 6.789) 11.396 2.495 ( 9.153 0.000 6.789) 11.396 2.778 ( -7.120 0.000 -2.851) 7.670 2.778 ( 7.120 0.000 -2.851) 7.670 3.117 ( -7.175 0.000 5.501) 9.041 3.117 ( 7.175 0.000 5.501) 9.041 3.328 ( -7.337 0.000 -8.490) 11.221 3.328 ( 7.337 0.000 -8.490) 11.221 3.657 ( -4.948 0.000 10.928) 11.996 3.657 ( 4.948 0.000 10.928) 11.996 3.847 ( -7.799 0.000 -6.044) 9.867 3.847 ( 7.799 0.000 -6.044) 9.867 4.073 ( -1.648 0.000 0.683) 1.784 4.073 ( 1.648 0.000 0.683) 1.784 4.406 ( -0.063 0.000 -0.989) 0.991 4.406 ( 0.063 0.000 -0.989) 0.991 4.544 ( -2.287 0.000 0.883) 2.451 4.544 ( 2.287 0.000 0.883) 2.451 4.773 ( -1.963 0.000 7.419) 7.675 4.773 ( 1.963 0.000 7.419) 7.675 4.913 ( -5.416 0.000 -6.511) 8.469 4.913 ( 5.416 0.000 -6.511) 8.469 5.205 ( -0.208 0.000 -0.062) 0.217 5.205 ( 0.208 0.000 -0.062) 0.217 5.481 ( -8.837 0.000 5.254) 10.281 5.481 ( 8.837 0.000 5.254) 10.281 5.825 ( -7.404 0.000 7.008) 10.195 5.825 ( 7.404 0.000 7.008) 10.195 5.923 ( -9.550 0.000 -3.935) 10.329 5.923 ( 9.550 0.000 -3.935) 10.329 6.416 ( -3.303 0.000 4.418) 5.516 6.416 ( 3.303 0.000 4.418) 5.516 6.604 ( -2.627 0.000 -4.475) 5.189 6.604 ( 2.627 0.000 -4.475) 5.189 6.719 ( -0.652 0.000 -1.753) 1.870 6.719 ( 0.652 0.000 -1.753) 1.870 7.273 ( -7.757 0.000 -6.977) 10.433 7.273 ( 7.757 0.000 -6.977) 10.433 8.252 ( -0.678 0.000 4.851) 4.899 8.252 ( 0.678 0.000 4.851) 4.899 8.666 ( -5.957 0.000 7.841) 9.847 8.666 ( 5.957 0.000 7.841) 9.847 9.136 ( -0.419 0.000 0.455) 0.618 9.136 ( 0.419 0.000 0.455) 0.618 9.484 ( -1.257 0.000 14.350) 14.404 9.484 ( 1.257 0.000 14.350) 14.404 10.713 ( -1.893 0.000 -17.927) 18.026 10.713 ( 1.893 0.000 -17.927) 18.026 13.144 ( -0.937 0.000 -2.913) 3.060 13.144 ( 0.937 0.000 -2.913) 3.060 14.869 ( -0.258 0.000 -0.095) 0.274 14.869 ( 0.258 0.000 -0.095) 0.274 19.142 ( -1.661 0.000 -0.612) 1.770 19.142 ( 1.661 0.000 -0.612) 1.770 20.224 ( -6.625 0.000 5.723) 8.755 20.224 ( 6.625 0.000 5.723) 8.755 20.370 ( -4.627 0.000 -6.972) 8.368 20.370 ( 4.627 0.000 -6.972) 8.368 21.488 ( -0.852 0.000 -0.556) 1.017 21.488 ( 0.852 0.000 -0.556) 1.017 21.899 ( -2.410 0.000 13.076) 13.296 21.899 ( 2.410 0.000 13.076) 13.296 22.183 ( -3.666 0.000 10.893) 11.494 22.183 ( 3.666 0.000 10.893) 11.494 22.692 ( -2.311 0.000 -18.312) 18.457 22.692 ( 2.311 0.000 -18.312) 18.457 23.078 ( -4.200 0.000 -4.153) 5.907 23.078 ( 4.200 0.000 -4.153) 5.907 23.622 ( -1.363 0.000 -0.542) 1.467 23.622 ( 1.363 0.000 -0.542) 1.467 24.189 ( -0.651 0.000 1.600) 1.728 24.189 ( 0.651 0.000 1.600) 1.728 24.279 ( -2.241 0.000 -3.760) 4.377 24.279 ( 2.241 0.000 -3.760) 4.377 25.339 ( -0.204 0.000 -0.276) 0.344 25.339 ( 0.204 0.000 -0.276) 0.344 25.437 ( -0.293 0.000 0.558) 0.630 25.437 ( 0.293 0.000 0.558) 0.630 26.337 ( -3.734 0.000 8.851) 9.607 26.337 ( 3.734 0.000 8.851) 9.607 26.542 ( -3.294 0.000 8.829) 9.424 26.542 ( 3.294 0.000 8.829) 9.424 26.867 ( -3.889 0.000 -17.192) 17.627 26.867 ( 3.889 0.000 -17.192) 17.627 27.565 ( -1.164 0.000 4.856) 4.994 27.565 ( 1.164 0.000 4.856) 4.994 27.669 ( -0.483 0.000 -3.647) 3.679 27.669 ( 0.483 0.000 -3.647) 3.679 28.397 ( -0.966 0.000 6.423) 6.495 28.397 ( 0.966 0.000 6.423) 6.495 28.897 ( -1.617 0.000 -4.630) 4.905 28.897 ( 1.617 0.000 -4.630) 4.905 29.277 ( -5.616 0.000 7.693) 9.525 29.277 ( 5.616 0.000 7.693) 9.525 29.442 ( -5.475 0.000 -7.888) 9.602 29.442 ( 5.475 0.000 -7.888) 9.602 30.112 ( -1.294 0.000 -3.456) 3.690 30.112 ( 1.294 0.000 -3.456) 3.690 30.690 ( -0.340 0.000 -0.364) 0.498 30.690 ( 0.340 0.000 -0.364) 0.498 36.709 ( -5.708 0.000 -3.561) 6.727 36.709 ( 5.708 0.000 -3.561) 6.727 38.428 ( -1.500 0.000 16.811) 16.877 38.428 ( 1.500 0.000 16.811) 16.877 39.098 ( -0.300 0.000 10.695) 10.699 39.098 ( 0.300 0.000 10.695) 10.699 39.624 ( -0.722 0.000 -23.383) 23.395 39.624 ( 0.722 0.000 -23.383) 23.395 42.525 ( -12.869 0.000 8.490) 15.417 42.525 ( 12.869 0.000 8.490) 15.417 42.728 ( -7.381 0.000 -1.327) 7.499 42.728 ( 7.381 0.000 -1.327) 7.499 43.109 ( -5.289 0.000 -0.595) 5.322 43.109 ( 5.289 0.000 -0.595) 5.322 43.712 ( -6.854 0.000 -3.142) 7.540 43.712 ( 6.854 0.000 -3.142) 7.540 44.387 ( -11.205 0.000 2.187) 11.416 44.387 ( 11.205 0.000 2.187) 11.416 44.536 ( -15.716 0.000 -2.452) 15.906 44.536 ( 15.716 0.000 -2.452) 15.906 48.767 ( -0.024 0.000 0.029) 0.038 48.767 ( 0.024 0.000 0.029) 0.038 50.671 ( -3.211 0.000 0.791) 3.307 50.671 ( 3.211 0.000 0.791) 3.307 51.114 ( -0.357 0.000 -1.668) 1.706 51.114 ( 0.357 0.000 -1.668) 1.706 53.511 ( -0.154 0.000 -0.330) 0.364 53.511 ( 0.154 0.000 -0.330) 0.364 ======================= Grid point 172 (36/45) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 1.737 1.737 31.599) 31.694 1.828 ( 14.584 14.584 24.808) 32.262 2.018 ( -0.380 -0.380 -25.183) 25.189 2.130 ( 3.971 3.971 -0.020) 5.615 2.211 ( 3.063 3.063 -1.793) 4.689 2.248 ( 8.660 8.660 -8.706) 15.026 2.838 ( 6.002 6.002 14.297) 16.627 2.839 ( -2.885 -2.885 3.363) 5.287 3.050 ( 5.987 5.987 -2.088) 8.721 3.065 ( 5.282 5.282 -2.734) 7.954 3.083 ( 10.827 10.827 19.905) 25.113 3.453 ( -1.123 -1.123 -8.918) 9.058 3.605 ( 0.313 0.313 8.599) 8.610 3.702 ( 3.863 3.863 -0.073) 5.464 3.761 ( -1.892 -1.892 5.549) 6.160 3.900 ( 3.696 3.696 1.901) 5.562 3.903 ( -0.631 -0.631 -4.879) 4.960 3.963 ( 6.508 6.508 0.623) 9.225 4.010 ( 6.191 6.191 -3.518) 9.436 4.167 ( 1.792 1.792 -22.379) 22.522 4.480 ( 2.126 2.126 -3.354) 4.504 4.481 ( -1.504 -1.504 2.136) 3.014 4.696 ( 3.713 3.713 2.182) 5.687 4.794 ( 4.519 4.519 -6.310) 8.981 4.836 ( 0.858 0.858 0.847) 1.481 4.856 ( 0.806 0.806 -1.117) 1.595 5.285 ( -4.428 -4.428 11.080) 12.727 5.325 ( -6.393 -6.393 5.635) 10.653 5.464 ( -2.560 -2.560 9.408) 10.081 5.491 ( 3.086 3.086 0.392) 4.382 5.535 ( 2.533 2.533 -0.475) 3.614 5.693 ( -1.265 -1.265 3.493) 3.925 5.821 ( 2.127 2.127 -0.936) 3.150 5.875 ( -3.201 -3.201 -18.351) 18.902 6.276 ( -4.054 -4.054 7.442) 9.395 6.292 ( -5.051 -5.051 7.879) 10.635 6.497 ( -2.925 -2.925 -4.750) 6.299 6.559 ( -2.052 -2.052 -9.862) 10.280 6.801 ( -1.350 -1.350 7.575) 7.812 6.969 ( -1.310 -1.310 -9.608) 9.785 7.894 ( -4.769 -4.769 17.854) 19.085 8.158 ( -6.922 -6.922 -8.212) 12.778 8.759 ( -11.802 -11.802 9.034) 18.979 8.870 ( -7.550 -7.550 -1.873) 10.841 8.953 ( -4.590 -4.590 3.083) 7.186 8.977 ( -6.584 -6.584 -2.215) 9.571 9.073 ( -5.825 -5.825 5.297) 9.794 9.241 ( -6.375 -6.375 -5.616) 10.622 9.394 ( 6.641 6.641 30.016) 31.451 9.405 ( 8.421 8.421 33.243) 35.312 10.085 ( 11.836 11.836 -29.947) 34.307 10.101 ( 12.434 12.434 -29.624) 34.450 13.457 ( 6.300 6.300 2.112) 9.156 13.473 ( 7.124 7.124 0.947) 10.120 13.539 ( 6.380 6.380 -5.272) 10.450 13.551 ( 6.968 6.968 -6.789) 11.967 20.099 ( -6.131 -6.131 6.908) 11.086 20.261 ( -4.438 -4.438 -9.867) 11.694 20.529 ( -3.546 -3.546 3.178) 5.937 20.609 ( -2.374 -2.374 -5.062) 6.075 21.135 ( 1.867 1.867 0.421) 2.673 21.136 ( 9.075 9.075 0.292) 12.838 21.373 ( -6.893 -6.893 1.905) 9.932 21.414 ( -10.741 -10.741 -2.237) 15.355 21.510 ( 3.591 3.591 5.599) 7.559 21.596 ( 17.453 17.453 -4.238) 25.043 21.733 ( 2.696 2.696 2.974) 4.836 21.831 ( -16.984 -16.984 -4.948) 24.524 22.078 ( 0.381 0.381 28.800) 28.805 22.629 ( -0.149 -0.149 -25.904) 25.905 22.980 ( -12.932 -12.932 16.910) 24.909 23.290 ( -9.717 -9.717 -14.531) 20.000 23.327 ( -0.539 -0.539 4.489) 4.553 23.443 ( 0.158 0.158 -7.307) 7.310 23.775 ( 6.986 6.986 2.998) 10.324 23.901 ( 9.103 9.103 -10.248) 16.454 24.448 ( 8.030 8.030 1.498) 11.455 24.464 ( 8.355 8.355 -0.398) 11.822 24.909 ( 13.263 13.263 3.967) 19.171 24.990 ( 13.078 13.078 -3.673) 18.856 25.707 ( -9.985 -9.985 0.560) 14.132 25.717 ( -9.979 -9.979 -0.431) 14.119 26.052 ( 4.632 4.632 3.321) 7.345 26.086 ( 6.402 6.402 -0.899) 9.099 26.459 ( 0.273 0.273 12.552) 12.558 26.647 ( -0.619 -0.619 -0.406) 0.965 26.717 ( -1.156 -1.156 -0.677) 1.769 26.780 ( 2.914 2.914 -12.982) 13.620 27.539 ( -2.033 -2.033 5.654) 6.343 27.559 ( -1.873 -1.873 5.019) 5.675 27.747 ( 1.832 1.832 -4.215) 4.947 27.782 ( 2.687 2.687 -6.405) 7.447 28.123 ( 6.676 6.676 4.643) 10.521 28.313 ( 13.185 13.185 -16.421) 24.846 28.599 ( 0.482 0.482 9.557) 9.582 28.758 ( 2.352 2.352 -7.080) 7.822 29.374 ( -4.836 -4.836 5.145) 8.559 29.472 ( -4.512 -4.512 -4.609) 7.872 29.785 ( -6.166 -6.166 6.458) 10.851 29.900 ( -5.790 -5.790 -3.572) 8.933 30.015 ( 2.061 2.061 4.500) 5.362 30.145 ( 2.452 2.452 -7.142) 7.939 30.457 ( 2.526 2.526 0.150) 3.576 30.472 ( 2.262 2.262 -1.238) 3.429 36.452 ( 2.208 2.208 20.593) 20.828 36.924 ( -2.034 -2.034 -27.011) 27.164 38.916 ( -3.197 -3.197 20.858) 21.343 38.951 ( -1.456 -1.456 18.208) 18.325 39.178 ( -13.485 -13.485 14.701) 24.079 39.268 ( -17.292 -17.292 1.066) 24.478 39.499 ( 6.707 6.707 -21.915) 23.880 39.568 ( 4.530 4.530 -21.659) 22.587 41.868 ( 5.411 5.411 9.115) 11.902 42.078 ( 5.774 5.774 -12.114) 14.609 42.876 ( -0.410 -0.410 13.022) 13.035 42.897 ( -0.300 -0.300 12.259) 12.266 43.110 ( 4.768 4.768 8.696) 11.004 43.201 ( 2.779 2.779 -5.623) 6.861 43.277 ( 5.403 5.403 -9.095) 11.879 43.291 ( 3.628 3.628 -5.928) 7.840 44.735 ( -29.896 -29.896 17.835) 45.887 45.041 ( -28.134 -28.134 -13.318) 41.957 45.859 ( -20.578 -20.578 5.156) 29.554 45.960 ( -17.646 -17.646 -5.103) 25.471 48.756 ( 0.813 0.813 0.038) 1.150 48.756 ( 0.842 0.842 -0.028) 1.191 49.626 ( 30.122 30.122 9.056) 43.551 49.896 ( 32.313 32.313 -19.796) 49.801 51.014 ( -0.370 -0.370 1.861) 1.933 51.052 ( 0.044 0.044 -1.974) 1.975 53.426 ( 1.422 1.422 0.365) 2.044 53.436 ( 1.028 1.028 -0.649) 1.593 ======================= Grid point 173 (37/45) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 15.982 -0.097 19.150) 24.943 2.042 ( 4.003 -1.090 -17.091) 17.587 2.114 ( 12.610 12.300 8.868) 19.721 2.244 ( 7.859 5.583 2.976) 10.089 2.286 ( 4.855 8.627 1.492) 10.011 2.431 ( 8.949 9.975 -6.198) 14.765 2.803 ( -0.597 -5.164 8.131) 9.650 2.871 ( -2.109 -2.756 -0.838) 3.570 3.121 ( 0.614 7.188 1.054) 7.290 3.137 ( 3.951 8.470 -3.803) 10.091 3.338 ( 8.311 1.186 6.315) 10.506 3.445 ( 2.559 0.434 -2.873) 3.872 3.651 ( 2.809 -2.221 18.767) 19.105 3.756 ( -0.698 5.444 2.005) 5.843 3.790 ( 0.690 4.476 3.606) 5.789 3.847 ( -1.285 7.851 -1.512) 8.098 3.933 ( 9.486 5.145 0.523) 10.804 4.127 ( 10.870 6.394 -5.317) 13.686 4.218 ( 7.175 0.394 2.130) 7.495 4.254 ( 6.303 -3.259 1.209) 7.198 4.398 ( -4.619 4.132 -5.392) 8.214 4.546 ( 1.427 2.974 -10.052) 10.579 4.743 ( -0.737 0.326 2.204) 2.347 4.819 ( -4.019 -8.041 3.438) 9.625 4.832 ( 0.424 -0.912 -0.349) 1.065 4.924 ( 7.090 0.147 -4.898) 8.618 5.184 ( -4.622 -3.026 5.464) 7.770 5.233 ( -0.804 -0.613 5.904) 5.990 5.418 ( 0.971 0.857 1.528) 2.003 5.490 ( -1.709 5.923 -1.041) 6.252 5.663 ( 1.229 -0.466 -7.080) 7.201 5.736 ( 9.451 -1.347 -0.826) 9.582 5.822 ( -0.301 1.301 1.235) 1.819 5.924 ( 7.979 1.413 -3.694) 8.905 6.201 ( -1.422 -7.361 6.215) 9.738 6.222 ( -1.583 -8.529 2.322) 8.980 6.429 ( -2.962 -0.631 -2.729) 4.077 6.547 ( 0.546 -3.075 -6.224) 6.964 6.707 ( -8.932 1.958 5.600) 10.723 6.900 ( -5.291 1.857 -8.143) 9.887 7.794 ( -6.527 -2.217 15.176) 16.668 8.010 ( -9.236 -4.304 -5.998) 11.824 8.436 ( -18.083 -6.725 6.281) 20.290 8.593 ( -21.516 -2.732 -4.289) 22.109 8.746 ( -10.231 -10.026 7.365) 16.107 8.928 ( -7.036 -8.715 0.595) 11.216 8.991 ( -0.946 -15.156 -0.816) 15.208 9.092 ( -7.095 -9.027 -2.855) 11.831 9.502 ( 5.250 12.134 28.811) 31.700 9.561 ( 5.778 9.469 28.017) 30.133 10.359 ( 16.761 11.139 -25.741) 32.674 10.426 ( 17.790 8.112 -28.072) 34.210 13.403 ( -4.473 16.658 0.227) 17.250 13.443 ( -4.772 15.886 -3.734) 17.002 13.946 ( 29.506 -3.265 -0.809) 29.697 13.964 ( 28.320 -3.129 -2.491) 28.601 20.022 ( -2.244 -2.012 6.602) 7.257 20.178 ( -10.089 -2.460 -6.504) 12.253 20.416 ( -11.728 -0.603 2.709) 12.052 20.490 ( -30.465 0.806 -3.874) 30.721 20.618 ( -38.468 2.024 -0.584) 38.526 20.644 ( -14.606 0.239 -2.443) 14.811 21.366 ( 3.433 -10.546 0.091) 11.091 21.379 ( 4.103 -16.642 -0.422) 17.146 21.604 ( 5.997 6.598 6.794) 11.209 21.718 ( 1.603 -10.133 0.923) 10.301 22.018 ( 16.121 -1.543 2.469) 16.382 22.060 ( 8.020 0.083 20.206) 21.739 22.183 ( 20.701 4.449 2.849) 21.364 22.632 ( 0.681 1.559 -25.932) 25.987 22.826 ( -1.911 -3.714 13.118) 13.766 23.132 ( -5.995 -5.892 -16.545) 18.558 23.330 ( 2.187 -2.186 1.598) 3.481 23.539 ( 7.928 -1.863 -4.086) 9.111 23.966 ( 11.321 6.116 4.081) 13.499 24.124 ( 11.094 6.451 -11.274) 17.082 24.502 ( 0.422 20.294 0.947) 20.320 24.551 ( 1.328 19.839 -0.131) 19.884 25.182 ( 12.633 1.605 3.288) 13.152 25.247 ( 11.686 2.913 -2.166) 12.237 25.508 ( -10.263 -10.496 0.414) 14.686 25.523 ( -10.170 -11.711 -0.523) 15.519 26.116 ( 3.598 4.906 4.671) 7.670 26.236 ( 7.582 2.532 -0.196) 7.996 26.449 ( -0.920 1.182 13.310) 13.394 26.631 ( -2.207 -0.050 -0.208) 2.217 26.706 ( 2.205 -0.526 0.652) 2.359 26.834 ( 3.141 3.393 -13.136) 13.926 27.503 ( -2.395 -5.161 3.084) 6.472 27.523 ( -1.371 -5.421 1.906) 5.908 27.776 ( 0.890 5.251 -2.726) 5.983 27.829 ( 1.960 5.285 -4.573) 7.259 28.268 ( 7.099 1.711 9.139) 11.698 28.505 ( 3.624 3.663 -7.750) 9.306 28.640 ( 4.875 -0.933 2.697) 5.649 28.829 ( 4.920 4.749 -11.208) 13.129 29.278 ( -4.430 -2.741 5.586) 7.638 29.391 ( -3.056 -1.978 -5.751) 6.807 29.595 ( -11.799 -2.810 3.907) 12.743 29.815 ( -6.155 -4.012 -1.135) 7.435 29.986 ( -0.990 3.426 0.384) 3.587 30.217 ( 2.583 3.397 -3.565) 5.561 30.492 ( 2.820 -3.201 -0.644) 4.314 30.561 ( 5.037 -2.076 -0.744) 5.498 36.512 ( 3.978 1.366 14.958) 15.538 36.870 ( -3.542 -2.032 -21.138) 21.529 38.755 ( -15.836 -9.483 22.623) 29.198 38.823 ( -15.715 -8.598 17.372) 24.954 38.958 ( -3.615 -6.903 5.339) 9.446 38.991 ( -5.637 -9.228 3.602) 11.398 39.654 ( 8.581 13.527 -17.725) 23.891 39.703 ( 7.785 13.671 -20.342) 25.715 42.020 ( 10.366 3.460 9.631) 14.567 42.239 ( 10.912 3.951 -12.453) 17.022 42.860 ( -1.608 -1.177 9.262) 9.474 42.881 ( -1.690 -2.488 10.815) 11.226 43.115 ( -2.440 7.705 4.165) 9.092 43.279 ( 0.178 8.012 -7.560) 11.017 43.372 ( 11.324 -3.362 8.800) 14.730 43.524 ( 16.133 -1.564 -5.966) 17.272 44.223 ( -20.272 -13.442 6.523) 25.183 44.441 ( -30.941 -17.460 -14.101) 38.224 45.392 ( -27.385 -14.463 7.556) 31.878 45.527 ( -26.662 -13.786 -6.123) 30.634 48.769 ( 0.669 1.471 0.033) 1.616 48.772 ( 0.736 1.434 -0.002) 1.612 50.202 ( 26.542 14.652 9.478) 31.764 50.445 ( 21.973 13.306 -15.235) 29.866 51.013 ( 0.700 -1.248 1.843) 2.333 51.058 ( 0.689 -0.492 -2.422) 2.566 53.470 ( 2.949 2.684 -0.340) 4.002 53.470 ( 2.528 2.376 -0.302) 3.482 ======================= Grid point 174 (38/45) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 20.285 -2.014 6.366) 21.356 2.135 ( 5.585 -0.408 -7.987) 9.754 2.265 ( 2.407 7.621 3.706) 8.810 2.353 ( 4.595 5.754 -2.101) 7.658 2.431 ( 5.787 11.360 6.074) 14.122 2.532 ( -0.232 4.139 0.269) 4.154 2.775 ( -0.738 -0.274 -1.111) 1.362 2.856 ( 1.627 -1.296 4.411) 4.876 3.120 ( 1.325 7.628 2.718) 8.206 3.203 ( 3.157 8.246 -4.200) 9.778 3.411 ( 1.316 -0.410 1.908) 2.353 3.535 ( 0.581 7.593 -0.454) 7.629 3.658 ( -0.640 -0.876 4.031) 4.175 3.701 ( -0.021 7.142 4.087) 8.229 3.739 ( -1.612 7.150 -1.988) 7.595 3.882 ( 2.637 -0.835 1.271) 3.044 4.122 ( -6.016 1.811 4.410) 7.676 4.249 ( -7.208 4.888 -4.344) 9.732 4.289 ( 16.945 -0.648 5.014) 17.683 4.372 ( 9.054 0.289 1.411) 9.168 4.406 ( 0.362 -1.914 1.218) 2.298 4.515 ( 0.231 1.900 -5.810) 6.117 4.711 ( -2.270 -4.422 2.818) 5.714 4.746 ( -3.804 -8.866 4.694) 10.729 4.835 ( 2.004 1.521 -1.658) 3.013 4.992 ( -1.147 0.448 -6.164) 6.286 5.219 ( 5.974 1.115 2.544) 6.588 5.275 ( 6.213 0.374 7.792) 9.973 5.404 ( -6.322 9.310 -0.673) 11.274 5.514 ( 6.584 -2.757 -2.767) 7.655 5.651 ( -2.793 -1.202 -5.359) 6.162 5.789 ( -4.348 -6.709 3.230) 8.623 5.898 ( 6.880 6.238 5.519) 10.803 6.123 ( 9.061 1.968 0.431) 9.283 6.283 ( 8.863 -6.234 -0.636) 10.854 6.321 ( 12.628 -8.201 -2.949) 15.343 6.418 ( 2.315 -0.385 0.884) 2.507 6.503 ( -8.526 2.419 1.915) 9.067 6.575 ( 2.637 -3.382 -4.871) 6.490 6.793 ( -4.842 3.675 -5.653) 8.301 7.541 ( -20.532 0.740 5.095) 21.168 7.727 ( -21.981 1.892 -6.251) 22.931 8.224 ( -2.948 -5.631 4.654) 7.878 8.260 ( -9.019 -5.841 1.349) 10.830 8.551 ( -8.301 -11.198 12.756) 18.895 8.726 ( -12.458 -10.943 -3.879) 17.030 8.987 ( -0.023 -14.614 0.470) 14.622 9.012 ( -2.010 -13.248 0.284) 13.403 9.587 ( 3.514 12.443 22.814) 26.223 9.628 ( 1.672 11.501 21.579) 24.510 10.653 ( 12.395 9.062 -21.209) 26.184 10.706 ( 10.294 7.760 -24.312) 27.518 13.325 ( -3.110 16.469 -0.760) 16.777 13.352 ( -4.218 15.993 -3.427) 16.891 14.525 ( 27.428 -3.843 -0.681) 27.704 14.530 ( 27.436 -3.702 -0.311) 27.686 19.536 ( -37.531 0.262 1.901) 37.580 19.594 ( -39.537 0.404 -3.086) 39.659 20.080 ( 2.071 -0.147 5.697) 6.063 20.274 ( -6.200 -2.968 0.943) 6.938 20.400 ( 2.556 6.727 -5.462) 9.034 20.574 ( -3.737 2.710 -3.419) 5.745 21.415 ( 2.166 -27.941 0.896) 28.039 21.444 ( 1.867 -18.031 -1.325) 18.175 21.712 ( 4.945 6.513 7.111) 10.837 21.769 ( 2.558 1.092 2.275) 3.593 22.091 ( 1.912 0.895 24.723) 24.813 22.203 ( 1.064 3.342 15.235) 15.634 22.511 ( 10.397 -1.956 -11.414) 15.563 22.652 ( 0.609 -0.334 -26.351) 26.360 22.885 ( 5.496 -6.223 2.982) 8.822 23.048 ( -3.517 -7.119 -12.256) 14.604 23.478 ( 13.143 0.537 -0.035) 13.154 23.685 ( 5.982 4.355 -1.705) 7.593 24.157 ( 7.812 2.837 2.791) 8.767 24.264 ( 3.322 3.645 -7.807) 9.234 24.502 ( -0.063 23.125 0.636) 23.134 24.545 ( -1.462 23.822 -0.230) 23.868 25.324 ( -4.181 -6.926 0.918) 8.142 25.330 ( -6.789 -8.658 0.088) 11.002 25.381 ( 1.719 -4.111 0.037) 4.456 25.403 ( 4.531 0.754 -0.786) 4.660 26.191 ( 3.619 -3.956 5.066) 7.377 26.295 ( -1.517 -9.033 1.127) 9.229 26.471 ( 3.035 3.340 13.830) 14.548 26.574 ( -2.960 0.978 6.252) 6.986 26.834 ( 10.134 7.530 -6.437) 14.172 26.922 ( 5.913 5.184 -14.236) 16.263 27.445 ( -3.050 -8.848 2.440) 9.672 27.496 ( -2.153 -6.433 -0.230) 6.787 27.783 ( 0.148 6.989 -1.995) 7.270 27.838 ( -1.293 8.601 -2.485) 9.046 28.361 ( 2.924 0.002 8.314) 8.813 28.493 ( -3.186 4.295 5.784) 7.878 28.749 ( 6.090 -3.806 -4.825) 8.652 28.901 ( 1.146 0.440 -8.226) 8.317 29.226 ( -0.602 -1.063 6.531) 6.644 29.381 ( 2.221 0.845 -8.152) 8.491 29.387 ( -9.026 -2.506 4.619) 10.444 29.649 ( -9.768 2.695 -2.612) 10.464 30.027 ( 4.295 -1.238 -2.003) 4.898 30.205 ( -3.206 4.414 -3.080) 6.265 30.571 ( 4.523 -6.588 -0.519) 8.008 30.632 ( 2.095 -3.879 -0.641) 4.455 36.599 ( 5.011 0.117 6.312) 8.060 36.791 ( -4.574 -1.853 -13.165) 14.060 38.480 ( -10.188 -4.974 19.569) 22.616 38.534 ( -12.208 -4.582 14.716) 19.662 38.932 ( -0.294 -10.700 4.675) 11.681 38.948 ( -0.986 -11.017 3.959) 11.748 39.797 ( 5.887 18.167 -16.342) 25.135 39.827 ( 4.535 18.188 -18.294) 26.193 42.254 ( 13.789 1.178 10.208) 17.197 42.475 ( 12.743 1.863 -11.337) 17.157 42.776 ( -8.225 -2.583 9.061) 12.507 42.830 ( -3.527 -0.774 5.992) 6.996 43.083 ( 0.461 4.706 6.840) 8.315 43.254 ( -3.277 6.125 -6.586) 9.573 43.563 ( 6.330 -4.978 9.652) 12.570 43.829 ( 2.501 -4.454 -12.135) 13.166 43.975 ( -1.092 -11.086 -2.996) 11.535 44.074 ( 4.258 -6.661 -2.658) 8.341 44.851 ( -28.198 -10.679 7.141) 30.986 44.984 ( -29.102 -10.140 -5.588) 31.320 48.781 ( 0.481 1.702 0.037) 1.769 48.783 ( 0.389 1.734 0.016) 1.777 50.579 ( 12.929 7.141 6.020) 15.950 50.704 ( 5.931 6.528 -5.952) 10.640 51.051 ( 2.955 -2.134 -0.283) 3.656 51.080 ( 1.459 -1.272 -2.372) 3.061 53.521 ( 2.507 3.494 -0.067) 4.301 53.527 ( 2.484 3.676 -0.631) 4.481 ======================= Grid point 175 (39/45) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -3.933 6.728 2.094) 8.070 2.234 ( 3.933 6.728 2.094) 8.070 2.323 ( -14.028 -4.713 0.654) 14.813 2.323 ( 14.028 -4.713 0.654) 14.813 2.458 ( -3.913 4.521 -1.022) 6.066 2.458 ( 3.913 4.521 -1.022) 6.066 2.848 ( -3.913 6.339 0.146) 7.450 2.848 ( 3.913 6.339 0.146) 7.450 3.193 ( -5.145 7.173 4.985) 10.138 3.193 ( 5.145 7.173 4.985) 10.138 3.450 ( -5.685 5.928 -1.996) 8.453 3.450 ( 5.685 5.928 -1.996) 8.453 3.681 ( -2.702 5.163 3.789) 6.951 3.681 ( 2.702 5.163 3.789) 6.951 3.837 ( -7.483 -0.734 -2.868) 8.047 3.837 ( 7.483 -0.734 -2.868) 8.047 4.104 ( -5.442 2.730 1.302) 6.226 4.104 ( 5.442 2.730 1.302) 6.226 4.388 ( -0.072 -1.411 -0.540) 1.512 4.388 ( 0.072 -1.411 -0.540) 1.512 4.541 ( -4.575 0.184 1.315) 4.764 4.541 ( 4.575 0.184 1.315) 4.764 4.692 ( -1.025 -7.835 4.112) 8.908 4.692 ( 1.025 -7.835 4.112) 8.908 4.922 ( -5.446 0.920 -5.608) 7.871 4.922 ( 5.446 0.920 -5.608) 7.871 5.284 ( -3.674 6.487 -0.005) 7.456 5.284 ( 3.674 6.487 -0.005) 7.456 5.485 ( -11.004 0.345 7.319) 13.220 5.485 ( 11.004 0.345 7.319) 13.220 5.671 ( -6.627 -7.035 -0.801) 9.698 5.671 ( 6.627 -7.035 -0.801) 9.698 6.073 ( -10.334 7.552 2.677) 13.076 6.073 ( 10.334 7.552 2.677) 13.076 6.407 ( -3.653 -0.981 3.059) 4.865 6.407 ( 3.653 -0.981 3.059) 4.865 6.495 ( -3.477 -7.075 -3.248) 8.526 6.495 ( 3.477 -7.075 -3.248) 8.526 6.729 ( -8.645 -1.438 -3.687) 9.508 6.729 ( 8.645 -1.438 -3.687) 9.508 7.318 ( -10.105 4.551 -5.849) 12.531 7.318 ( 10.105 4.551 -5.849) 12.531 8.213 ( -0.958 -4.129 4.804) 6.406 8.213 ( 0.958 -4.129 4.804) 6.406 8.522 ( -6.528 -12.742 4.992) 15.162 8.522 ( 6.528 -12.742 4.992) 15.162 8.991 ( -0.494 -14.605 0.190) 14.615 8.991 ( 0.494 -14.605 0.190) 14.615 9.633 ( -1.142 12.228 20.025) 23.491 9.633 ( 1.142 12.228 20.025) 23.491 10.792 ( -1.571 8.158 -21.319) 22.881 10.792 ( 1.571 8.158 -21.319) 22.881 13.301 ( -0.800 16.180 -2.196) 16.348 13.301 ( 0.800 16.180 -2.196) 16.348 14.827 ( -0.279 -4.177 -0.118) 4.188 14.827 ( 0.279 -4.177 -0.118) 4.188 19.153 ( -1.779 0.995 -0.545) 2.110 19.153 ( 1.779 0.995 -0.545) 2.110 20.161 ( -5.493 -1.180 3.425) 6.580 20.161 ( 5.493 -1.180 3.425) 6.580 20.485 ( -5.237 6.049 -4.525) 9.192 20.485 ( 5.237 6.049 -4.525) 9.192 21.448 ( -1.077 -26.712 -0.072) 26.734 21.448 ( 1.077 -26.712 -0.072) 26.734 21.780 ( -1.780 4.936 5.427) 7.549 21.780 ( 1.780 4.936 5.427) 7.549 22.153 ( -4.248 4.812 20.959) 21.920 22.153 ( 4.248 4.812 20.959) 21.920 22.631 ( -3.200 -3.209 -20.339) 20.838 22.631 ( 3.200 -3.209 -20.339) 20.838 22.977 ( -4.145 -9.014 -5.480) 11.334 22.977 ( 4.145 -9.014 -5.480) 11.334 23.699 ( -6.196 6.572 -0.558) 9.049 23.699 ( 6.196 6.572 -0.558) 9.049 24.259 ( -3.146 1.029 -1.980) 3.857 24.259 ( 3.146 1.029 -1.980) 3.857 24.513 ( -1.425 24.346 -0.015) 24.387 24.513 ( 1.425 24.346 -0.015) 24.387 25.253 ( -0.387 -8.771 -0.261) 8.784 25.253 ( 0.387 -8.771 -0.261) 8.784 25.433 ( -1.019 0.166 0.183) 1.048 25.433 ( 1.019 0.166 0.183) 1.048 26.248 ( -2.627 -10.538 3.395) 11.379 26.248 ( 2.627 -10.538 3.395) 11.379 26.524 ( -2.500 2.320 10.782) 11.309 26.524 ( 2.500 2.320 10.782) 11.309 26.984 ( -2.513 7.859 -12.614) 15.073 26.984 ( 2.513 7.859 -12.614) 15.073 27.435 ( -2.878 -8.395 1.306) 8.970 27.435 ( 2.878 -8.395 1.306) 8.970 27.798 ( -1.814 8.826 -0.984) 9.064 27.798 ( 1.814 8.826 -0.984) 9.064 28.419 ( -3.775 2.425 6.771) 8.123 28.419 ( 3.775 2.425 6.771) 8.123 28.860 ( -4.820 -3.267 -4.573) 7.404 28.860 ( 4.820 -3.267 -4.573) 7.404 29.260 ( -4.136 -1.011 6.190) 7.513 29.260 ( 4.136 -1.011 6.190) 7.513 29.479 ( -7.463 2.400 -6.524) 10.199 29.479 ( 7.463 2.400 -6.524) 10.199 30.122 ( -5.087 1.182 -2.949) 5.998 30.122 ( 5.087 1.182 -2.949) 5.998 30.635 ( -1.806 -5.540 -0.509) 5.849 30.635 ( 1.806 -5.540 -0.509) 5.849 36.698 ( -5.164 -1.125 -3.705) 6.454 36.698 ( 5.164 -1.125 -3.705) 6.454 38.397 ( -1.617 -3.093 16.688) 17.049 38.397 ( 1.617 -3.093 16.688) 17.049 38.935 ( -0.445 -12.007 3.826) 12.610 38.935 ( 0.445 -12.007 3.826) 12.610 39.863 ( -0.820 19.739 -16.834) 25.956 39.863 ( 0.820 19.739 -16.834) 25.956 42.521 ( -12.666 -0.462 9.038) 15.566 42.521 ( 12.666 -0.462 9.038) 15.566 42.725 ( -7.498 -0.261 -2.603) 7.941 42.725 ( 7.498 -0.261 -2.603) 7.941 43.151 ( -6.102 3.797 0.434) 7.200 43.151 ( 6.102 3.797 0.434) 7.200 43.651 ( -6.305 -5.660 -3.208) 9.060 43.651 ( 6.305 -5.660 -3.208) 9.060 44.282 ( -12.011 -9.985 2.000) 15.747 44.282 ( 12.011 -9.985 2.000) 15.747 44.484 ( -14.309 -5.591 -2.256) 15.527 44.484 ( 14.309 -5.591 -2.256) 15.527 48.786 ( -0.078 1.790 0.031) 1.792 48.786 ( 0.078 1.790 0.031) 1.792 50.723 ( -3.072 4.976 1.032) 5.938 50.723 ( 3.072 4.976 1.032) 5.938 51.093 ( -0.750 -2.030 -1.790) 2.808 51.093 ( 0.750 -2.030 -1.790) 2.808 53.550 ( -0.204 3.962 -0.318) 3.980 53.550 ( 0.204 3.962 -0.318) 3.980 ======================= Grid point 182 (40/45) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 11.209 11.209 10.681) 19.115 2.016 ( 1.144 1.144 -18.164) 18.236 2.372 ( 8.164 8.164 3.297) 12.007 2.399 ( 12.301 12.301 4.598) 17.993 2.499 ( 11.782 11.782 7.131) 18.124 2.622 ( 8.943 8.943 3.696) 13.177 2.726 ( -1.319 -1.319 8.170) 8.381 2.829 ( -1.942 -1.942 -6.568) 7.120 3.240 ( 2.892 2.892 -1.648) 4.409 3.244 ( 3.644 3.644 -0.881) 5.229 3.415 ( 5.899 5.899 -0.511) 8.358 3.453 ( 2.224 2.224 -2.818) 4.223 3.626 ( 0.792 0.792 13.394) 13.441 3.747 ( -1.014 -1.014 0.560) 1.539 3.926 ( 1.885 1.885 2.610) 3.731 3.990 ( 7.500 7.500 -2.307) 10.854 4.112 ( 3.859 3.859 4.910) 7.341 4.187 ( 2.512 2.512 -3.264) 4.824 4.283 ( 11.865 11.865 9.195) 19.134 4.291 ( 3.122 3.122 5.224) 6.840 4.410 ( -3.640 -3.640 -0.758) 5.203 4.572 ( -0.368 -0.368 -10.323) 10.336 4.651 ( -7.800 -7.800 5.311) 12.242 4.670 ( -6.633 -6.633 2.769) 9.780 4.863 ( 3.204 3.204 1.531) 4.783 4.968 ( 3.561 3.561 -7.690) 9.192 5.121 ( -2.043 -2.043 6.517) 7.129 5.287 ( 6.041 6.041 -6.122) 10.510 5.368 ( -1.311 -1.311 4.453) 4.823 5.637 ( 1.234 1.234 -13.350) 13.464 5.744 ( 6.756 6.756 1.071) 9.614 5.770 ( 8.765 8.765 -2.263) 12.600 5.824 ( -0.208 -0.208 4.916) 4.925 5.957 ( 2.899 2.899 -5.193) 6.616 6.042 ( -5.892 -5.892 6.247) 10.414 6.116 ( -2.296 -2.296 -0.414) 3.273 6.424 ( -0.357 -0.357 0.398) 0.643 6.472 ( -1.486 -1.486 -5.347) 5.745 6.722 ( -2.925 -2.925 7.099) 8.216 6.880 ( -3.334 -3.334 -8.918) 10.088 7.760 ( -1.554 -1.554 12.705) 12.894 7.919 ( -5.065 -5.065 -3.177) 7.836 8.236 ( -14.595 -14.595 9.109) 22.561 8.422 ( -14.343 -14.343 -9.621) 22.450 8.606 ( -12.501 -12.501 1.164) 17.718 8.634 ( -11.751 -11.751 -1.212) 16.663 8.734 ( -10.940 -10.940 8.280) 17.547 8.879 ( -11.897 -11.897 -5.639) 17.744 9.707 ( 7.910 7.910 31.256) 33.198 9.726 ( 7.431 7.431 31.051) 32.781 10.627 ( 15.015 15.015 -28.918) 35.877 10.656 ( 14.952 14.952 -29.712) 36.468 13.806 ( 11.596 11.596 4.342) 16.964 13.860 ( 12.571 12.571 0.003) 17.779 13.883 ( 11.043 11.043 -1.886) 15.730 13.924 ( 11.921 11.921 -6.826) 18.188 20.009 ( -0.682 -0.682 6.485) 6.556 20.113 ( -10.157 -10.157 -3.577) 14.803 20.397 ( -7.593 -7.593 4.407) 11.608 20.490 ( -11.897 -11.897 -4.713) 17.473 20.535 ( -21.078 -21.078 -0.329) 29.810 20.578 ( -3.457 -3.457 -4.982) 6.980 20.724 ( -20.499 -20.499 -0.092) 28.990 20.726 ( -21.424 -21.424 -0.267) 30.299 21.808 ( 6.658 6.658 17.972) 20.289 21.982 ( 0.413 0.413 18.686) 18.695 22.040 ( 17.720 17.720 -3.079) 25.248 22.197 ( 9.186 9.186 -7.663) 15.082 22.364 ( 17.232 17.232 5.492) 24.981 22.678 ( 3.650 3.650 -22.988) 23.561 22.768 ( -2.914 -2.914 8.824) 9.738 23.006 ( -6.593 -6.593 -14.299) 17.070 23.396 ( 4.955 4.955 3.632) 7.892 23.512 ( 4.602 4.602 -7.950) 10.274 24.114 ( 7.713 7.713 4.994) 11.996 24.273 ( 7.249 7.249 -11.632) 15.505 24.817 ( 10.552 10.552 2.771) 15.179 24.860 ( 11.504 11.504 -1.658) 16.353 25.246 ( 5.240 5.240 4.771) 8.814 25.281 ( -8.386 -8.386 0.591) 11.874 25.294 ( -11.345 -11.345 -0.188) 16.045 25.347 ( 3.373 3.373 -4.580) 6.613 26.149 ( -3.540 -3.540 2.317) 5.517 26.177 ( -5.544 -5.544 -0.802) 7.882 26.516 ( 4.799 4.799 18.154) 19.381 26.653 ( -0.591 -0.591 9.971) 10.006 26.763 ( 7.972 7.972 -7.632) 13.614 26.888 ( 3.721 3.721 -11.757) 12.881 27.397 ( -6.192 -6.192 2.286) 9.050 27.441 ( -2.652 -2.652 -3.171) 4.911 27.883 ( 4.746 4.746 -1.308) 6.838 27.908 ( 3.742 3.742 -3.922) 6.587 28.324 ( 3.704 3.704 11.246) 12.406 28.575 ( 2.976 2.976 -12.587) 13.272 28.647 ( 1.284 1.284 12.393) 12.525 28.887 ( 1.141 1.141 -12.511) 12.615 29.226 ( -2.229 -2.229 6.656) 7.364 29.368 ( -0.142 -0.142 -7.895) 7.898 29.539 ( -5.914 -5.914 5.820) 10.190 29.669 ( -5.443 -5.443 -6.164) 9.862 30.096 ( 1.720 1.720 6.527) 6.966 30.234 ( 2.115 2.115 -7.087) 7.692 30.470 ( -2.133 -2.133 0.557) 3.067 30.502 ( -1.047 -1.047 -2.388) 2.810 36.549 ( 2.438 2.438 10.190) 10.757 36.816 ( -3.438 -3.438 -16.820) 17.508 38.542 ( -11.422 -11.422 20.969) 26.469 38.621 ( -11.547 -11.547 13.770) 21.361 38.836 ( -6.105 -6.105 2.361) 8.951 38.838 ( -5.502 -5.502 2.178) 8.081 39.934 ( 14.512 14.512 -13.949) 24.815 39.978 ( 13.835 13.835 -17.107) 25.990 42.120 ( 7.099 7.099 10.345) 14.416 42.352 ( 7.837 7.837 -13.001) 17.084 42.819 ( -3.690 -3.690 8.728) 10.169 42.845 ( -1.072 -1.072 6.777) 6.945 43.248 ( -1.617 -1.617 12.967) 13.167 43.322 ( 5.186 5.186 5.165) 8.971 43.466 ( 5.231 5.231 -3.328) 8.111 43.503 ( 5.710 5.710 -6.829) 10.575 43.968 ( -10.824 -10.824 -2.596) 15.526 44.047 ( -21.263 -21.263 -10.932) 31.996 45.030 ( -22.275 -22.275 8.197) 32.550 45.173 ( -22.231 -22.231 -6.392) 32.082 48.798 ( 1.322 1.322 0.087) 1.872 48.799 ( 1.320 1.320 -0.039) 1.867 50.508 ( 15.218 15.218 8.354) 23.086 50.707 ( 11.963 11.963 -11.551) 20.485 50.989 ( -0.948 -0.948 2.835) 3.136 51.049 ( -0.309 -0.309 -3.153) 3.184 53.533 ( 4.062 4.062 0.028) 5.744 53.541 ( 4.370 4.370 -0.765) 6.227 ======================= Grid point 183 (41/45) ======================= q-point: ( 0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 13.545 2.875 4.721) 14.629 2.086 ( 5.466 -2.502 -5.553) 8.184 2.469 ( 1.267 10.546 5.860) 12.130 2.568 ( 5.423 14.109 -0.110) 15.116 2.594 ( -4.057 5.457 2.606) 7.282 2.667 ( 1.055 12.104 1.368) 12.227 2.870 ( 8.060 7.297 -2.488) 11.153 2.880 ( 10.350 4.137 4.163) 11.898 3.256 ( 2.836 5.949 3.346) 7.391 3.346 ( 3.732 -0.935 -0.059) 3.848 3.411 ( 0.272 8.777 -3.116) 9.317 3.574 ( -2.062 -2.637 3.646) 4.949 3.658 ( 8.043 4.482 -0.543) 9.223 3.792 ( 3.164 -2.166 2.271) 4.457 3.872 ( -4.433 5.246 0.892) 6.926 3.972 ( -6.413 7.558 -5.279) 11.230 4.150 ( -4.056 -1.468 3.785) 5.738 4.239 ( 1.004 -3.291 0.542) 3.483 4.293 ( -0.410 -4.727 2.044) 5.166 4.323 ( 0.701 -1.964 0.490) 2.142 4.494 ( 3.065 10.924 2.663) 11.654 4.519 ( -1.537 -6.158 5.617) 8.475 4.570 ( -3.799 -8.299 2.867) 9.567 4.645 ( 4.438 3.216 2.182) 5.900 4.890 ( 1.416 3.753 -1.183) 4.182 4.995 ( -1.277 -0.018 -6.284) 6.413 5.172 ( 7.393 -4.263 9.784) 12.983 5.370 ( -0.409 2.639 -8.454) 8.866 5.423 ( 7.118 6.191 5.155) 10.751 5.619 ( -1.222 3.717 -9.422) 10.202 5.721 ( -7.827 7.550 5.210) 12.059 5.773 ( -2.812 8.535 -0.365) 8.994 5.970 ( 3.719 -0.318 6.031) 7.092 6.070 ( 15.328 -5.856 -3.480) 16.773 6.153 ( 10.504 -6.807 -4.130) 13.180 6.193 ( 9.829 -3.975 -2.751) 10.953 6.453 ( 4.403 4.696 1.272) 6.562 6.493 ( 2.904 -0.004 -2.741) 3.993 6.600 ( -6.767 2.921 3.836) 8.309 6.794 ( -5.651 -3.440 -6.700) 9.416 7.595 ( -18.129 5.346 2.701) 19.092 7.776 ( -13.791 3.079 -1.487) 14.209 8.052 ( 0.367 -12.002 5.050) 13.026 8.121 ( -10.867 -9.400 -1.192) 14.418 8.299 ( -11.197 -13.835 3.645) 18.168 8.489 ( -12.707 -13.751 -0.811) 18.741 8.610 ( -1.143 -23.309 0.492) 23.342 8.690 ( -6.909 -18.674 -0.273) 19.913 9.812 ( 3.671 9.739 28.617) 30.451 9.829 ( 3.172 8.525 28.554) 29.968 10.886 ( 10.929 14.004 -26.859) 32.202 10.913 ( 10.132 12.913 -28.136) 32.574 13.766 ( -3.439 28.252 0.156) 28.461 13.783 ( -4.176 27.828 -1.292) 28.170 14.430 ( 26.704 -5.595 -0.993) 27.302 14.436 ( 26.470 -5.702 -0.406) 27.080 19.532 ( -35.249 -1.574 1.634) 35.322 19.590 ( -37.228 -1.889 -2.418) 37.355 20.142 ( 2.371 5.437 8.269) 10.176 20.304 ( -4.379 4.782 0.148) 6.485 20.463 ( 2.924 -2.888 -2.443) 4.781 20.581 ( -1.162 -2.229 -7.020) 7.457 20.606 ( 1.708 -43.627 -0.547) 43.664 20.674 ( -0.662 -42.911 -0.184) 42.916 21.879 ( 2.162 5.840 20.500) 21.424 21.952 ( -1.950 2.345 20.223) 20.451 22.310 ( 9.870 17.476 -5.527) 20.817 22.329 ( 5.649 2.922 -6.671) 9.217 22.609 ( 3.276 16.733 -1.472) 17.114 22.733 ( 0.204 -4.817 0.510) 4.848 22.765 ( 2.194 10.900 -12.781) 16.940 22.899 ( -4.025 -6.256 -14.405) 16.212 23.551 ( 15.702 6.031 0.777) 16.839 23.724 ( 12.263 0.861 -3.653) 12.824 24.222 ( 2.830 3.111 3.728) 5.620 24.344 ( -0.648 3.850 -8.465) 9.322 24.925 ( 2.168 17.343 1.399) 17.533 24.978 ( 1.262 17.361 -0.598) 17.417 25.112 ( -6.328 -10.505 0.028) 12.264 25.119 ( -6.252 -10.022 0.198) 11.813 25.366 ( 5.902 0.205 2.469) 6.401 25.436 ( 3.248 2.379 -3.104) 5.084 26.047 ( -4.951 -10.782 0.354) 11.869 26.055 ( -6.423 -13.747 -0.402) 15.178 26.584 ( 1.786 6.259 16.710) 17.933 26.640 ( -0.937 5.293 14.475) 15.441 26.900 ( 7.601 -1.824 -5.945) 9.821 27.049 ( 10.206 8.617 -12.601) 18.363 27.279 ( -5.221 -8.456 3.024) 10.388 27.400 ( -2.466 -3.118 -8.209) 9.121 27.930 ( 1.765 8.291 -1.580) 8.623 27.984 ( 2.196 6.161 -1.697) 6.757 28.395 ( 3.910 3.480 10.693) 11.906 28.581 ( -3.049 4.747 3.900) 6.859 28.700 ( 4.764 -1.533 -2.084) 5.421 28.877 ( -2.232 -2.009 -8.265) 8.794 29.207 ( 0.460 -0.818 8.015) 8.070 29.351 ( -5.674 -1.994 3.446) 6.931 29.418 ( 0.291 2.754 -8.191) 8.646 29.606 ( -4.156 -5.689 -5.389) 8.870 30.080 ( 0.847 5.167 2.024) 5.613 30.273 ( -3.204 2.264 -2.695) 4.760 30.427 ( 2.201 -7.381 -1.249) 7.803 30.520 ( 0.404 -7.216 -1.604) 7.403 36.603 ( 3.198 0.329 3.375) 4.661 36.744 ( -3.953 -2.935 -10.917) 11.976 38.366 ( -6.172 -6.198 18.883) 20.810 38.422 ( -8.465 -6.586 13.852) 17.519 38.753 ( -2.551 -7.588 1.261) 8.104 38.761 ( -2.720 -7.887 0.785) 8.380 40.169 ( 9.317 19.352 -13.511) 25.374 40.194 ( 8.120 18.949 -15.500) 25.793 42.290 ( 10.497 2.632 11.043) 15.462 42.529 ( 9.860 3.776 -12.434) 16.312 42.715 ( -7.517 -3.988 9.575) 12.810 42.814 ( -2.670 -0.817 2.234) 3.576 43.164 ( -2.634 1.642 12.114) 12.506 43.364 ( -6.416 1.743 -2.602) 7.139 43.499 ( 4.081 2.681 -0.417) 4.900 43.698 ( -11.885 -8.552 -5.125) 15.513 43.773 ( 14.954 -7.780 -3.085) 17.137 43.911 ( 6.619 -9.064 -4.179) 11.976 44.586 ( -22.871 -16.035 7.122) 28.827 44.721 ( -23.993 -16.565 -5.835) 29.734 48.818 ( 0.739 1.918 0.053) 2.056 48.819 ( 0.708 1.834 0.010) 1.966 50.734 ( 8.093 7.938 5.726) 12.700 50.846 ( 2.138 7.302 -4.413) 8.796 51.002 ( 2.582 -2.798 0.428) 3.831 51.050 ( 0.373 -1.607 -3.315) 3.702 53.610 ( 3.450 5.356 0.099) 6.372 53.618 ( 3.216 5.419 -0.736) 6.345 ======================= Grid point 184 (42/45) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -2.558 -5.793 5.318) 8.270 2.146 ( 2.558 -5.793 5.318) 8.270 2.493 ( -4.283 12.915 -1.159) 13.655 2.493 ( 4.283 12.915 -1.159) 13.655 2.646 ( -2.704 13.856 -1.652) 14.214 2.646 ( 2.704 13.856 -1.652) 14.214 2.986 ( -0.909 7.272 0.381) 7.338 2.986 ( 0.909 7.272 0.381) 7.338 3.343 ( -4.403 4.938 6.347) 9.168 3.343 ( 4.403 4.938 6.347) 9.168 3.470 ( -5.942 2.230 1.018) 6.428 3.470 ( 5.942 2.230 1.018) 6.428 3.798 ( -2.581 0.544 -3.028) 4.016 3.798 ( 2.581 0.544 -3.028) 4.016 3.847 ( -3.634 3.347 -2.856) 5.706 3.847 ( 3.634 3.347 -2.856) 5.706 4.136 ( -5.620 -0.465 2.422) 6.137 4.136 ( 5.620 -0.465 2.422) 6.137 4.355 ( -4.613 -3.262 1.795) 5.928 4.355 ( 4.613 -3.262 1.795) 5.928 4.481 ( -3.424 -9.569 3.182) 10.650 4.481 ( 3.424 -9.569 3.182) 10.650 4.621 ( -5.276 5.921 4.360) 9.050 4.621 ( 5.276 5.921 4.360) 9.050 4.952 ( -3.049 2.016 -7.386) 8.241 4.952 ( 3.049 2.016 -7.386) 8.241 5.322 ( -5.505 -2.031 1.914) 6.172 5.322 ( 5.505 -2.031 1.914) 6.172 5.533 ( -6.288 4.691 6.373) 10.107 5.533 ( 6.288 4.691 6.373) 10.107 5.688 ( -4.367 9.074 -2.354) 10.342 5.688 ( 4.367 9.074 -2.354) 10.342 6.114 ( -8.745 -4.113 2.777) 10.055 6.114 ( 8.745 -4.113 2.777) 10.055 6.311 ( -1.096 -5.730 -3.241) 6.673 6.311 ( 1.096 -5.730 -3.241) 6.673 6.531 ( -2.630 9.262 1.870) 9.808 6.531 ( 2.630 9.262 1.870) 9.808 6.651 ( -10.040 -6.058 -5.368) 12.896 6.651 ( 10.040 -6.058 -5.368) 12.896 7.437 ( -10.533 7.576 -3.668) 13.483 7.437 ( 10.533 7.576 -3.668) 13.483 8.094 ( -3.958 -8.417 4.304) 10.249 8.094 ( 3.958 -8.417 4.304) 10.249 8.247 ( -10.159 -14.968 1.264) 18.134 8.247 ( 10.159 -14.968 1.264) 18.134 8.614 ( -1.672 -23.583 0.145) 23.643 8.614 ( 1.672 -23.583 0.145) 23.643 9.852 ( -0.552 9.576 27.191) 28.833 9.852 ( 0.552 9.576 27.191) 28.833 11.005 ( -0.870 13.055 -26.428) 29.490 11.005 ( 0.870 13.055 -26.428) 29.490 13.735 ( -0.493 27.913 -0.729) 27.926 13.735 ( 0.493 27.913 -0.729) 27.926 14.722 ( -0.230 -6.284 -0.226) 6.292 14.722 ( 0.230 -6.284 -0.226) 6.292 19.170 ( -1.775 0.254 -0.326) 1.822 19.170 ( 1.775 0.254 -0.326) 1.822 20.220 ( -4.621 6.486 5.295) 9.563 20.220 ( 4.621 6.486 5.295) 9.563 20.529 ( -3.544 -10.336 -5.118) 12.066 20.529 ( 3.544 -10.336 -5.118) 12.066 20.653 ( -2.034 -35.894 -1.114) 35.969 20.653 ( 2.034 -35.894 -1.114) 35.969 21.915 ( -1.848 3.439 20.465) 20.834 21.915 ( 1.848 3.439 20.465) 20.834 22.401 ( -1.150 8.527 -6.030) 10.507 22.401 ( 1.150 8.527 -6.030) 10.507 22.662 ( -5.350 7.877 -0.799) 9.556 22.662 ( 5.350 7.877 -0.799) 9.556 22.826 ( -4.288 2.052 -13.927) 14.716 22.826 ( 4.288 2.052 -13.927) 14.716 23.827 ( -5.840 6.259 -0.644) 8.585 23.827 ( 5.840 6.259 -0.644) 8.585 24.265 ( -4.615 -0.634 -2.177) 5.142 24.265 ( 4.615 -0.634 -2.177) 5.142 24.951 ( -1.869 10.453 -0.243) 10.621 24.951 ( 1.869 10.453 -0.243) 10.621 25.064 ( -0.206 -1.642 0.435) 1.711 25.064 ( 0.206 -1.642 0.435) 1.711 25.446 ( -2.144 1.044 -0.529) 2.443 25.446 ( 2.144 1.044 -0.529) 2.443 25.991 ( -0.243 -14.932 -0.035) 14.934 25.991 ( 0.243 -14.932 -0.035) 14.934 26.612 ( -1.615 5.515 14.407) 15.511 26.612 ( 1.615 5.515 14.407) 15.511 27.060 ( -7.624 -1.495 -3.102) 8.365 27.060 ( 7.624 -1.495 -3.102) 8.365 27.316 ( -6.482 -2.435 -8.513) 10.973 27.316 ( 6.482 -2.435 -8.513) 10.973 27.973 ( -2.406 8.990 -0.695) 9.332 27.973 ( 2.406 8.990 -0.695) 9.332 28.488 ( -5.640 4.614 8.379) 11.104 28.488 ( 5.640 4.614 8.379) 11.104 28.803 ( -5.203 -2.133 -5.418) 7.809 28.803 ( 5.203 -2.133 -5.418) 7.809 29.246 ( -3.750 -0.717 7.086) 8.049 29.246 ( 3.750 -0.717 7.086) 8.049 29.498 ( -6.027 -0.381 -7.705) 9.790 29.498 ( 6.027 -0.381 -7.705) 9.790 30.159 ( -6.386 2.369 -0.752) 6.852 30.159 ( 6.386 2.369 -0.752) 6.852 30.496 ( -2.991 -8.325 -1.548) 8.980 30.496 ( 2.991 -8.325 -1.548) 8.980 36.670 ( -3.751 -1.660 -4.032) 5.752 36.670 ( 3.751 -1.660 -4.032) 5.752 38.322 ( -1.623 -4.402 16.172) 16.839 38.322 ( 1.623 -4.402 16.172) 16.839 38.732 ( -0.270 -8.536 0.590) 8.561 38.732 ( 0.270 -8.536 0.590) 8.561 40.268 ( -0.703 21.206 -14.281) 25.576 40.268 ( 0.703 21.206 -14.281) 25.576 42.506 ( -11.320 -1.148 10.492) 15.477 42.506 ( 11.320 -1.148 10.492) 15.477 42.723 ( -7.149 0.125 -6.083) 9.388 42.723 ( 7.149 0.125 -6.083) 9.388 43.204 ( -6.935 -0.308 3.515) 7.780 43.204 ( 6.935 -0.308 3.515) 7.780 43.560 ( -3.730 -1.345 -3.252) 5.128 43.560 ( 3.730 -1.345 -3.252) 5.128 44.052 ( -8.376 -12.950 1.825) 15.530 44.052 ( 8.376 -12.950 1.825) 15.530 44.331 ( -9.834 -9.962 -2.355) 14.194 44.331 ( 9.834 -9.962 -2.355) 14.194 48.825 ( -0.060 2.070 0.034) 2.071 48.825 ( 0.060 2.070 0.034) 2.071 50.831 ( -2.767 5.520 1.916) 6.465 50.831 ( 2.767 5.520 1.916) 6.465 51.047 ( -1.268 -2.457 -2.415) 3.671 51.047 ( 1.268 -2.457 -2.415) 3.671 53.648 ( -0.262 5.794 -0.277) 5.807 53.648 ( 0.262 5.794 -0.277) 5.807 ======================= Grid point 192 (43/45) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 3.345 3.345 6.241) 7.831 2.067 ( 0.553 0.553 3.287) 3.379 2.626 ( 6.633 6.633 4.666) 10.476 2.697 ( 4.676 4.676 -0.375) 6.624 2.834 ( 10.595 10.595 1.059) 15.021 2.870 ( 8.079 8.079 -1.128) 11.481 2.996 ( 6.313 6.313 -0.082) 8.928 3.022 ( 8.764 8.764 -0.729) 12.415 3.310 ( 0.423 0.423 1.335) 1.463 3.320 ( -0.492 -0.492 1.437) 1.596 3.547 ( 3.076 3.076 1.185) 4.509 3.607 ( 4.854 4.854 -2.471) 7.296 3.741 ( 3.206 3.206 -0.865) 4.615 3.756 ( 1.451 1.451 0.091) 2.055 3.903 ( -4.275 -4.275 2.532) 6.554 3.976 ( -5.364 -5.364 -5.078) 9.129 4.081 ( -5.316 -5.316 -0.517) 7.536 4.096 ( -5.954 -5.954 -1.463) 8.546 4.244 ( -2.075 -2.075 3.784) 4.788 4.303 ( 1.066 1.066 -2.241) 2.701 4.391 ( -5.498 -5.498 5.601) 9.582 4.427 ( -4.804 -4.804 2.499) 7.239 4.682 ( 3.911 3.911 7.374) 9.218 4.741 ( 3.236 3.236 6.428) 7.891 4.960 ( 3.499 3.499 -7.138) 8.685 4.980 ( -1.020 -1.020 -4.264) 4.502 5.165 ( 6.459 6.459 18.688) 20.801 5.433 ( 4.609 4.609 -4.541) 7.944 5.603 ( -4.394 -4.394 5.111) 8.046 5.611 ( 8.137 8.137 -2.541) 11.785 5.831 ( -0.716 -0.716 6.959) 7.032 5.964 ( 0.388 0.388 -2.479) 2.539 5.972 ( 6.656 6.656 -4.580) 10.469 6.023 ( 2.165 2.165 -10.689) 11.119 6.075 ( 6.145 6.145 1.533) 8.824 6.159 ( 0.675 0.675 -5.806) 5.884 6.494 ( -2.258 -2.258 3.992) 5.112 6.590 ( 7.369 7.369 -1.680) 10.556 6.681 ( 6.845 6.845 -0.695) 9.705 6.701 ( -4.155 -4.155 -5.328) 7.932 7.721 ( -7.019 -7.019 2.796) 10.313 7.764 ( 0.134 0.134 0.999) 1.017 7.830 ( -2.743 -2.743 4.588) 6.008 7.915 ( -8.882 -8.882 -5.926) 13.889 8.089 ( -13.304 -13.304 0.928) 18.838 8.137 ( -12.660 -12.660 -3.448) 18.234 8.267 ( -13.279 -13.279 6.640) 19.918 8.359 ( -14.805 -14.805 -2.444) 21.079 9.944 ( 4.295 4.295 29.738) 30.352 9.948 ( 4.062 4.062 29.973) 30.519 11.129 ( 10.133 10.133 -27.878) 31.345 11.143 ( 9.567 9.567 -28.629) 31.665 14.270 ( 11.137 11.137 5.033) 16.535 14.306 ( 9.732 9.732 2.343) 13.961 14.352 ( 11.612 11.612 -2.567) 16.621 14.379 ( 10.482 10.482 -5.440) 15.790 19.370 ( -18.398 -18.398 1.724) 26.075 19.406 ( -20.092 -20.092 -1.861) 28.476 19.936 ( -16.870 -16.870 0.066) 23.858 19.938 ( -16.779 -16.779 -0.156) 23.729 20.272 ( 4.826 4.826 11.172) 13.092 20.403 ( -0.356 -0.356 9.401) 9.415 20.504 ( 5.037 5.037 -11.877) 13.850 20.606 ( 1.215 1.215 -10.994) 11.128 21.944 ( 1.114 1.114 24.468) 24.519 21.964 ( 0.612 0.612 27.325) 27.339 22.308 ( -0.501 -0.501 -9.540) 9.566 22.504 ( 4.314 4.314 -25.719) 26.432 22.531 ( -8.904 -8.904 3.377) 13.037 22.726 ( -7.062 -7.062 -18.697) 21.197 23.134 ( 19.777 19.777 0.223) 27.970 23.161 ( 22.338 22.338 -2.136) 31.662 23.681 ( 8.556 8.556 4.472) 12.899 23.799 ( 9.204 9.204 -7.617) 15.081 24.244 ( -1.980 -1.980 4.186) 5.036 24.364 ( -3.121 -3.121 -8.116) 9.238 24.857 ( -10.320 -10.320 -0.255) 14.597 24.865 ( -10.083 -10.083 -1.389) 14.326 25.217 ( 8.764 8.764 4.892) 13.325 25.306 ( 9.769 9.769 -3.850) 14.342 25.377 ( 1.978 1.978 5.506) 6.175 25.486 ( 2.194 2.194 -5.222) 6.075 25.820 ( -10.076 -10.076 0.112) 14.250 25.827 ( -10.000 -10.000 -0.804) 14.165 26.653 ( 2.301 2.301 14.990) 15.339 26.778 ( 4.765 4.765 24.114) 25.038 26.824 ( -1.830 -1.830 -3.417) 4.287 27.116 ( -8.068 -8.068 7.813) 13.829 27.217 ( 7.580 7.580 -19.514) 22.265 27.368 ( -1.020 -1.020 -17.059) 17.120 28.071 ( 4.345 4.345 -1.056) 6.235 28.072 ( 4.443 4.443 -0.943) 6.354 28.479 ( 5.014 5.014 12.415) 14.297 28.646 ( -0.998 -0.998 11.401) 11.488 28.698 ( 3.858 3.858 -9.289) 10.773 28.843 ( -1.839 -1.839 -8.278) 8.677 29.199 ( 0.177 0.177 10.237) 10.240 29.295 ( -3.959 -3.959 7.494) 9.354 29.460 ( 1.101 1.101 -10.984) 11.094 29.517 ( -2.277 -2.277 -9.088) 9.642 30.145 ( 0.838 0.838 7.658) 7.749 30.301 ( 1.307 1.307 -7.883) 8.097 30.307 ( -5.667 -5.667 3.979) 8.948 30.406 ( -3.276 -3.276 -5.664) 7.318 36.614 ( 0.907 0.907 -0.459) 1.363 36.687 ( -2.855 -2.855 -7.852) 8.829 38.269 ( -3.400 -3.400 17.281) 17.938 38.306 ( -4.977 -4.977 13.931) 15.608 38.646 ( -3.597 -3.597 0.337) 5.098 38.651 ( -3.757 -3.757 -0.173) 5.317 40.489 ( 12.992 12.992 -13.558) 22.835 40.504 ( 12.289 12.289 -14.745) 22.791 42.360 ( 4.866 4.866 12.016) 13.847 42.616 ( -6.376 -6.376 11.184) 14.366 42.620 ( 5.492 5.492 -13.986) 15.998 42.792 ( -1.847 -1.847 -3.369) 4.263 43.128 ( -2.972 -2.972 13.829) 14.453 43.271 ( -9.066 -9.066 -3.124) 13.196 43.643 ( 1.487 1.487 7.588) 7.874 43.654 ( 4.379 4.379 -2.513) 6.684 43.673 ( 2.338 2.338 -4.501) 5.585 43.789 ( -0.817 -0.817 -7.023) 7.118 44.276 ( -15.250 -15.250 5.407) 22.234 44.389 ( -17.242 -17.242 -5.755) 25.054 48.847 ( 1.102 1.102 0.064) 1.560 48.848 ( 1.077 1.077 0.002) 1.523 50.853 ( 4.302 4.302 5.191) 7.998 50.947 ( -1.058 -1.058 3.874) 4.152 50.963 ( 3.032 3.032 -5.677) 7.115 51.028 ( -0.653 -0.653 -4.199) 4.299 53.705 ( 4.091 4.091 0.068) 5.786 53.712 ( 3.851 3.851 -0.580) 5.477 ======================= Grid point 193 (44/45) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -0.475 -1.508 8.246) 8.396 2.081 ( 0.475 -1.508 8.246) 8.396 2.724 ( -2.545 10.601 -0.048) 10.902 2.724 ( 2.545 10.601 -0.048) 10.902 2.936 ( -1.404 14.921 -1.469) 15.059 2.936 ( 1.404 14.921 -1.469) 15.059 3.102 ( -2.163 4.538 -0.316) 5.037 3.102 ( 2.163 4.538 -0.316) 5.037 3.314 ( -0.682 -4.385 1.557) 4.703 3.314 ( 0.682 -4.385 1.557) 4.703 3.625 ( -4.161 9.385 2.464) 10.558 3.625 ( 4.161 9.385 2.464) 10.558 3.769 ( -2.654 -1.974 0.378) 3.329 3.769 ( 2.654 -1.974 0.378) 3.329 3.852 ( -4.963 -2.595 -7.620) 9.457 3.852 ( 4.963 -2.595 -7.620) 9.457 4.045 ( -1.792 -8.944 0.097) 9.122 4.045 ( 1.792 -8.944 0.097) 9.122 4.268 ( -5.616 -3.332 5.473) 8.520 4.268 ( 5.616 -3.332 5.473) 8.520 4.360 ( -3.583 -3.284 -0.327) 4.872 4.360 ( 3.583 -3.284 -0.327) 4.872 4.730 ( -2.074 2.971 7.903) 8.694 4.730 ( 2.074 2.971 7.903) 8.694 4.982 ( -0.647 0.951 -5.722) 5.836 4.982 ( 0.647 0.951 -5.722) 5.836 5.372 ( -10.774 7.924 9.182) 16.222 5.372 ( 10.774 7.924 9.182) 16.222 5.609 ( -5.540 3.638 3.457) 7.475 5.609 ( 5.540 3.638 3.457) 7.475 5.887 ( -4.831 0.860 2.159) 5.361 5.887 ( 4.831 0.860 2.159) 5.361 6.029 ( -4.407 5.269 -6.427) 9.407 6.029 ( 4.407 5.269 -6.427) 9.407 6.230 ( -2.145 -2.949 -4.232) 5.586 6.230 ( 2.145 -2.949 -4.232) 5.586 6.513 ( -8.157 -7.393 -5.201) 12.176 6.513 ( 8.157 -7.393 -5.201) 12.176 6.763 ( -2.057 12.178 0.846) 12.380 6.763 ( 2.057 12.178 0.846) 12.380 7.598 ( -8.433 9.075 -0.875) 12.419 7.598 ( 8.433 9.075 -0.875) 12.419 7.892 ( -2.134 -10.765 0.460) 10.984 7.892 ( 2.134 -10.765 0.460) 10.984 7.994 ( -12.090 -11.507 1.711) 16.778 7.994 ( 12.090 -11.507 1.711) 16.778 8.155 ( -6.256 -22.318 -0.280) 23.180 8.155 ( 6.256 -22.318 -0.280) 23.180 9.985 ( -0.106 4.446 29.676) 30.008 9.985 ( 0.106 4.446 29.676) 30.008 11.235 ( -0.409 9.648 -27.952) 29.573 11.235 ( 0.409 9.648 -27.952) 29.573 14.276 ( -0.388 25.072 0.938) 25.093 14.276 ( 0.389 25.072 0.938) 25.093 14.613 ( -0.089 -4.316 -0.947) 4.420 14.613 ( 0.089 -4.316 -0.947) 4.420 19.120 ( -1.071 -6.973 0.051) 7.055 19.120 ( 1.071 -6.973 0.051) 7.055 19.827 ( -0.596 -28.800 -0.026) 28.806 19.827 ( 0.596 -28.800 -0.026) 28.806 20.352 ( -3.543 5.311 9.576) 11.509 20.352 ( 3.543 5.311 9.576) 11.509 20.599 ( -2.763 2.262 -10.912) 11.482 20.599 ( 2.763 2.262 -10.912) 11.482 21.960 ( -0.985 2.125 26.071) 26.176 21.960 ( 0.985 2.125 26.071) 26.176 22.364 ( -6.448 -6.561 -3.331) 9.784 22.364 ( 6.448 -6.561 -3.331) 9.784 22.605 ( -5.582 -4.102 -22.897) 23.922 22.605 ( 5.582 -4.102 -22.897) 23.922 23.339 ( -3.057 34.037 -0.138) 34.175 23.339 ( 3.057 34.037 -0.138) 34.175 23.924 ( -7.777 3.602 -0.399) 8.580 23.924 ( 7.777 3.602 -0.399) 8.580 24.212 ( -7.569 -5.971 -2.965) 10.086 24.212 ( 7.569 -5.971 -2.965) 10.086 24.755 ( -0.752 -13.166 -1.137) 13.237 24.755 ( 0.752 -13.166 -1.137) 13.237 25.323 ( -3.067 11.020 3.708) 12.025 25.323 ( 3.067 11.020 3.708) 12.025 25.478 ( -3.813 2.687 -3.086) 5.593 25.478 ( 3.813 2.687 -3.086) 5.593 25.722 ( -0.777 -11.949 -0.202) 11.976 25.722 ( 0.777 -11.949 -0.202) 11.976 26.709 ( -4.018 4.448 12.142) 13.541 26.709 ( 4.018 4.448 12.142) 13.541 26.958 ( -8.362 -6.830 11.355) 15.669 26.958 ( 8.362 -6.830 11.355) 15.669 27.329 ( -3.763 1.962 -20.622) 21.055 27.329 ( 3.763 1.962 -20.622) 21.055 28.114 ( -0.672 5.235 -0.494) 5.301 28.114 ( 0.672 5.235 -0.494) 5.301 28.578 ( -4.980 4.065 10.720) 12.499 28.578 ( 4.980 4.065 10.720) 12.499 28.789 ( -4.103 0.596 -7.456) 8.531 28.789 ( 4.103 0.596 -7.456) 8.531 29.224 ( -2.686 -1.533 10.061) 10.526 29.224 ( 2.686 -1.533 10.061) 10.526 29.486 ( -1.798 -0.367 -10.957) 11.109 29.486 ( 1.798 -0.367 -10.957) 11.109 30.184 ( -4.654 -0.593 5.111) 6.938 30.184 ( 4.654 -0.593 5.111) 6.938 30.359 ( -2.760 -4.565 -5.924) 7.972 30.359 ( 2.760 -4.565 -5.924) 7.972 36.641 ( -1.923 -1.219 -4.326) 4.889 36.641 ( 1.923 -1.219 -4.326) 4.889 38.246 ( -1.049 -3.065 15.341) 15.680 38.246 ( 1.049 -3.065 15.341) 15.680 38.614 ( -0.152 -3.964 -0.155) 3.970 38.614 ( 0.152 -3.964 -0.155) 3.970 40.624 ( -0.400 14.703 -14.262) 20.488 40.624 ( 0.400 14.703 -14.262) 20.488 42.478 ( -7.263 -1.646 12.132) 14.236 42.478 ( 7.263 -1.646 12.132) 14.236 42.728 ( -5.003 0.304 -11.261) 12.326 42.728 ( 5.003 0.304 -11.261) 12.326 43.130 ( -4.067 -5.259 7.261) 9.845 43.130 ( 4.067 -5.259 7.261) 9.845 43.631 ( -0.519 6.805 -0.581) 6.849 43.631 ( 0.519 6.805 -0.581) 6.849 43.836 ( -4.293 -8.347 0.709) 9.413 43.836 ( 4.293 -8.347 0.709) 9.413 44.126 ( -5.759 -10.727 -3.000) 12.539 44.126 ( 5.759 -10.727 -3.000) 12.539 48.858 ( -0.021 1.243 0.033) 1.243 48.858 ( 0.021 1.243 0.033) 1.243 50.909 ( -2.082 2.187 3.785) 4.842 50.909 ( 2.082 2.187 3.785) 4.842 51.014 ( -1.383 -0.666 -4.064) 4.344 51.014 ( 1.383 -0.666 -4.064) 4.344 53.749 ( -0.192 4.186 -0.224) 4.196 53.749 ( 0.192 4.186 -0.224) 4.196 ======================= Grid point 206 (45/45) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 0.000 0.000 10.288) 10.288 2.069 ( 0.000 0.000 10.288) 10.288 2.842 ( 0.000 0.000 -0.343) 0.343 2.842 ( 0.000 0.000 -0.343) 0.343 3.125 ( 0.000 0.000 1.534) 1.534 3.125 ( 0.000 0.000 1.534) 1.534 3.166 ( 0.000 0.000 -3.119) 3.119 3.166 ( 0.000 0.000 -3.119) 3.119 3.219 ( -0.000 -0.000 0.096) 0.096 3.219 ( -0.000 -0.000 0.096) 0.096 3.723 ( -0.000 -0.000 0.725) 0.725 3.723 ( 0.000 0.000 0.725) 0.725 3.778 ( 0.000 0.000 -0.245) 0.245 3.778 ( 0.000 0.000 -0.245) 0.245 3.783 ( -0.000 -0.000 -5.868) 5.868 3.783 ( 0.000 0.000 -5.868) 5.868 3.938 ( 0.000 0.000 0.229) 0.229 3.938 ( 0.000 0.000 0.229) 0.229 4.226 ( -0.000 -0.000 7.559) 7.559 4.226 ( 0.000 0.000 7.559) 7.559 4.337 ( -0.000 -0.000 -3.734) 3.734 4.337 ( 0.000 0.000 -3.734) 3.734 4.747 ( 0.000 0.000 6.275) 6.275 4.747 ( 0.000 0.000 6.275) 6.275 4.992 ( 0.000 0.000 -3.901) 3.901 4.992 ( 0.000 0.000 -3.901) 3.901 5.485 ( 0.000 0.000 20.066) 20.066 5.485 ( 0.000 0.000 20.066) 20.066 5.711 ( -0.000 -0.000 2.619) 2.619 5.711 ( 0.000 0.000 2.619) 2.619 5.750 ( -0.000 -0.000 -1.991) 1.991 5.750 ( 0.000 0.000 -1.991) 1.991 6.159 ( 0.000 0.000 -7.259) 7.259 6.159 ( 0.000 0.000 -7.259) 7.259 6.250 ( -0.000 -0.000 -11.392) 11.392 6.250 ( 0.000 0.000 -11.392) 11.392 6.398 ( 0.000 0.000 -1.786) 1.786 6.398 ( 0.000 0.000 -1.786) 1.786 6.898 ( 0.000 0.000 0.232) 0.232 6.898 ( 0.000 0.000 0.232) 0.232 7.744 ( 0.000 0.000 3.279) 3.279 7.744 ( 0.000 0.000 3.279) 3.279 7.804 ( -0.000 -0.000 4.431) 4.431 7.804 ( 0.000 0.000 4.431) 4.431 7.847 ( 0.000 0.000 -5.880) 5.880 7.847 ( 0.000 0.000 -5.880) 5.880 7.855 ( -0.000 -0.000 -0.691) 0.691 7.855 ( 0.000 0.000 -0.691) 0.691 10.027 ( 0.000 0.000 29.966) 29.966 10.027 ( 0.000 0.000 29.966) 29.966 11.333 ( 0.000 0.000 -27.939) 27.939 11.333 ( 0.000 0.000 -27.939) 27.939 14.512 ( 0.000 0.000 4.617) 4.617 14.512 ( 0.000 0.000 4.617) 4.617 14.603 ( 0.000 0.000 -4.339) 4.339 14.603 ( 0.000 0.000 -4.339) 4.339 18.992 ( 0.000 0.000 0.288) 0.288 18.992 ( 0.000 0.000 0.288) 0.288 19.583 ( 0.000 0.000 -0.121) 0.121 19.583 ( 0.000 0.000 -0.121) 0.121 20.399 ( 0.000 0.000 10.926) 10.926 20.399 ( 0.000 0.000 10.926) 10.926 20.633 ( 0.000 0.000 -12.462) 12.462 20.633 ( 0.000 0.000 -12.462) 12.462 21.990 ( 0.000 0.000 28.709) 28.709 21.990 ( 0.000 0.000 28.709) 28.709 22.277 ( -0.000 -0.000 -0.203) 0.203 22.277 ( 0.000 0.000 -0.203) 0.203 22.569 ( 0.000 0.000 -29.085) 29.085 22.569 ( 0.000 0.000 -29.085) 29.085 23.876 ( 0.000 0.000 0.234) 0.234 23.876 ( 0.000 0.000 0.234) 0.234 23.895 ( -0.000 -0.000 5.903) 5.903 23.895 ( 0.000 0.000 5.903) 5.903 24.048 ( -0.000 -0.000 -9.914) 9.914 24.048 ( 0.000 0.000 -9.914) 9.914 24.603 ( 0.000 0.000 -0.723) 0.723 24.603 ( 0.000 0.000 -0.723) 0.723 25.416 ( 0.000 0.000 5.916) 5.916 25.416 ( 0.000 0.000 5.916) 5.916 25.528 ( -0.000 -0.000 -5.087) 5.087 25.528 ( 0.000 0.000 -5.087) 5.087 25.591 ( 0.000 0.000 -0.092) 0.092 25.591 ( 0.000 0.000 -0.092) 0.092 26.767 ( 0.000 0.000 0.490) 0.490 26.767 ( 0.000 0.000 0.490) 0.490 26.870 ( -0.000 -0.000 25.292) 25.292 26.870 ( 0.000 0.000 25.292) 25.292 27.351 ( 0.000 0.000 -23.229) 23.229 27.351 ( 0.000 0.000 -23.229) 23.229 28.164 ( 0.000 0.000 -0.232) 0.232 28.164 ( 0.000 0.000 -0.232) 0.232 28.619 ( -0.000 -0.000 10.829) 10.829 28.619 ( 0.000 0.000 10.829) 10.829 28.803 ( 0.000 0.000 -7.851) 7.851 28.803 ( 0.000 0.000 -7.851) 7.851 29.204 ( 0.000 0.000 11.526) 11.526 29.204 ( 0.000 0.000 11.526) 11.526 29.485 ( 0.000 0.000 -12.530) 12.530 29.485 ( 0.000 0.000 -12.530) 12.530 30.161 ( 0.000 0.000 8.253) 8.253 30.161 ( 0.000 0.000 8.253) 8.253 30.327 ( 0.000 0.000 -8.237) 8.237 30.327 ( 0.000 0.000 -8.237) 8.237 36.628 ( 0.000 0.000 -4.438) 4.438 36.628 ( 0.000 0.000 -4.438) 4.438 38.216 ( 0.000 0.000 14.937) 14.937 38.216 ( 0.000 0.000 14.937) 14.937 38.577 ( 0.000 0.000 -0.243) 0.243 38.577 ( 0.000 0.000 -0.243) 0.243 40.774 ( 0.000 0.000 -14.637) 14.637 40.774 ( 0.000 0.000 -14.637) 14.637 42.458 ( -0.000 -0.000 12.837) 12.837 42.458 ( 0.000 0.000 12.837) 12.837 42.731 ( -0.000 -0.000 -14.558) 14.558 42.731 ( 0.000 0.000 -14.558) 14.558 43.072 ( 0.000 0.000 10.028) 10.028 43.072 ( 0.000 0.000 10.028) 10.028 43.701 ( 0.000 0.000 5.488) 5.488 43.701 ( 0.000 0.000 5.488) 5.488 43.788 ( 0.000 0.000 -3.458) 3.458 43.788 ( 0.000 0.000 -3.458) 3.458 43.985 ( -0.000 -0.000 -4.385) 4.385 43.985 ( -0.000 -0.000 -4.385) 4.385 48.870 ( 0.000 0.000 0.031) 0.031 48.870 ( 0.000 0.000 0.031) 0.031 50.924 ( 0.000 0.000 4.305) 4.305 50.924 ( 0.000 0.000 4.305) 4.305 51.013 ( 0.000 0.000 -4.502) 4.502 51.013 ( 0.000 0.000 -4.502) 4.502 53.791 ( 0.000 0.000 -0.200) 0.200 53.791 ( 0.000 0.000 -0.200) 0.200 =================== 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 3/42240 10.0 959.679 959.679 684.946 -0.000 0.000 0.000 3/42240 20.0 87.655 87.655 75.617 -0.000 0.000 0.000 3/42240 30.0 28.789 28.789 26.211 -0.000 0.000 0.000 3/42240 40.0 14.878 14.878 14.037 -0.000 0.000 0.000 3/42240 50.0 9.574 9.574 9.222 -0.000 0.000 0.000 3/42240 60.0 6.959 6.959 6.782 -0.000 0.000 0.000 3/42240 70.0 5.453 5.453 5.346 -0.000 0.000 0.000 3/42240 80.0 4.490 4.490 4.412 -0.000 0.000 0.000 3/42240 90.0 3.828 3.828 3.760 -0.000 0.000 0.000 3/42240 100.0 3.347 3.347 3.281 -0.000 0.000 0.000 3/42240 110.0 2.983 2.983 2.914 -0.000 0.000 0.000 3/42240 120.0 2.697 2.697 2.624 -0.000 0.000 0.000 3/42240 130.0 2.467 2.467 2.389 -0.000 0.000 0.000 3/42240 140.0 2.278 2.278 2.195 -0.000 0.000 0.000 3/42240 150.0 2.118 2.118 2.031 -0.000 0.000 0.000 3/42240 160.0 1.982 1.982 1.891 -0.000 0.000 0.000 3/42240 170.0 1.865 1.865 1.770 -0.000 0.000 0.000 3/42240 180.0 1.761 1.761 1.664 -0.000 0.000 0.000 3/42240 190.0 1.670 1.670 1.570 -0.000 0.000 0.000 3/42240 200.0 1.589 1.589 1.487 -0.000 0.000 0.000 3/42240 210.0 1.515 1.515 1.413 -0.000 0.000 0.000 3/42240 220.0 1.449 1.449 1.346 -0.000 0.000 0.000 3/42240 230.0 1.388 1.388 1.286 -0.000 0.000 0.000 3/42240 240.0 1.333 1.333 1.231 -0.000 0.000 0.000 3/42240 250.0 1.282 1.282 1.180 -0.000 0.000 0.000 3/42240 260.0 1.235 1.235 1.134 -0.000 0.000 0.000 3/42240 270.0 1.191 1.191 1.092 -0.000 0.000 0.000 3/42240 280.0 1.151 1.151 1.052 -0.000 0.000 0.000 3/42240 290.0 1.113 1.113 1.016 -0.000 0.000 0.000 3/42240 300.0 1.077 1.077 0.982 -0.000 0.000 0.000 3/42240 310.0 1.044 1.044 0.950 -0.000 0.000 0.000 3/42240 320.0 1.013 1.013 0.921 -0.000 0.000 0.000 3/42240 330.0 0.984 0.984 0.893 -0.000 0.000 0.000 3/42240 340.0 0.956 0.956 0.867 -0.000 0.000 0.000 3/42240 350.0 0.930 0.930 0.843 -0.000 0.000 0.000 3/42240 360.0 0.906 0.906 0.820 -0.000 0.000 0.000 3/42240 370.0 0.882 0.882 0.798 -0.000 0.000 0.000 3/42240 380.0 0.860 0.860 0.778 -0.000 0.000 0.000 3/42240 390.0 0.839 0.839 0.758 -0.000 0.000 0.000 3/42240 400.0 0.819 0.819 0.740 -0.000 0.000 0.000 3/42240 410.0 0.800 0.800 0.722 -0.000 0.000 0.000 3/42240 420.0 0.782 0.782 0.706 -0.000 0.000 0.000 3/42240 430.0 0.764 0.764 0.690 -0.000 0.000 0.000 3/42240 440.0 0.748 0.748 0.675 -0.000 0.000 0.000 3/42240 450.0 0.732 0.732 0.660 -0.000 0.000 0.000 3/42240 460.0 0.717 0.717 0.646 -0.000 0.000 0.000 3/42240 470.0 0.702 0.702 0.633 -0.000 0.000 0.000 3/42240 480.0 0.688 0.688 0.620 -0.000 0.000 0.000 3/42240 490.0 0.675 0.675 0.608 -0.000 0.000 0.000 3/42240 500.0 0.662 0.662 0.596 -0.000 0.000 0.000 3/42240 510.0 0.649 0.649 0.585 -0.000 0.000 0.000 3/42240 520.0 0.637 0.637 0.574 -0.000 0.000 0.000 3/42240 530.0 0.626 0.626 0.564 -0.000 0.000 0.000 3/42240 540.0 0.615 0.615 0.554 -0.000 0.000 0.000 3/42240 550.0 0.604 0.604 0.544 -0.000 0.000 0.000 3/42240 560.0 0.594 0.594 0.535 -0.000 0.000 0.000 3/42240 570.0 0.584 0.584 0.526 -0.000 0.000 0.000 3/42240 580.0 0.574 0.574 0.517 -0.000 0.000 0.000 3/42240 590.0 0.565 0.565 0.508 -0.000 0.000 0.000 3/42240 600.0 0.555 0.555 0.500 -0.000 0.000 0.000 3/42240 610.0 0.547 0.547 0.492 -0.000 0.000 0.000 3/42240 620.0 0.538 0.538 0.485 -0.000 0.000 0.000 3/42240 630.0 0.530 0.530 0.477 -0.000 0.000 0.000 3/42240 640.0 0.522 0.522 0.470 -0.000 0.000 0.000 3/42240 650.0 0.514 0.514 0.463 -0.000 0.000 0.000 3/42240 660.0 0.507 0.507 0.456 -0.000 0.000 0.000 3/42240 670.0 0.500 0.500 0.450 -0.000 0.000 0.000 3/42240 680.0 0.493 0.493 0.444 -0.000 0.000 0.000 3/42240 690.0 0.486 0.486 0.437 -0.000 0.000 0.000 3/42240 700.0 0.479 0.479 0.431 -0.000 0.000 0.000 3/42240 710.0 0.472 0.472 0.425 -0.000 0.000 0.000 3/42240 720.0 0.466 0.466 0.420 -0.000 0.000 0.000 3/42240 730.0 0.460 0.460 0.414 -0.000 0.000 0.000 3/42240 740.0 0.454 0.454 0.409 -0.000 0.000 0.000 3/42240 750.0 0.448 0.448 0.404 -0.000 0.000 0.000 3/42240 760.0 0.442 0.442 0.398 -0.000 0.000 0.000 3/42240 770.0 0.437 0.437 0.393 -0.000 0.000 0.000 3/42240 780.0 0.431 0.431 0.389 -0.000 0.000 0.000 3/42240 790.0 0.426 0.426 0.384 -0.000 0.000 0.000 3/42240 800.0 0.421 0.421 0.379 -0.000 0.000 0.000 3/42240 810.0 0.416 0.416 0.375 -0.000 0.000 0.000 3/42240 820.0 0.411 0.411 0.370 -0.000 0.000 0.000 3/42240 830.0 0.406 0.406 0.366 -0.000 0.000 0.000 3/42240 840.0 0.402 0.402 0.362 -0.000 0.000 0.000 3/42240 850.0 0.397 0.397 0.358 -0.000 0.000 0.000 3/42240 860.0 0.393 0.393 0.353 -0.000 0.000 0.000 3/42240 870.0 0.388 0.388 0.350 -0.000 0.000 0.000 3/42240 880.0 0.384 0.384 0.346 -0.000 0.000 0.000 3/42240 890.0 0.380 0.380 0.342 -0.000 0.000 0.000 3/42240 900.0 0.376 0.376 0.338 -0.000 0.000 0.000 3/42240 910.0 0.372 0.372 0.335 -0.000 0.000 0.000 3/42240 920.0 0.368 0.368 0.331 -0.000 0.000 0.000 3/42240 930.0 0.364 0.364 0.328 -0.000 0.000 0.000 3/42240 940.0 0.360 0.360 0.324 -0.000 0.000 0.000 3/42240 950.0 0.356 0.356 0.321 -0.000 0.000 0.000 3/42240 960.0 0.353 0.353 0.318 -0.000 0.000 0.000 3/42240 970.0 0.349 0.349 0.314 -0.000 0.000 0.000 3/42240 980.0 0.346 0.346 0.311 -0.000 0.000 0.000 3/42240 990.0 0.342 0.342 0.308 -0.000 0.000 0.000 3/42240 1000.0 0.339 0.339 0.305 -0.000 0.000 0.000 3/42240 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:07:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|