----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:13:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.091847730028871 0.000000000000000 0.000000000000000 b 0.000000000000000 3.979930480000001 0.000000000000000 c -2.621860835600186 0.000000000000000 17.192264151618303 Atomic positions (fractional): *1 Y 0.18953250262603 0.75000000000000 0.02138132243851 88.906 2 Y 0.81046749737397 0.25000000000000 0.97861867756149 88.906 *3 Y 0.12427628166453 0.75000000000000 0.43015419873151 88.906 4 Y 0.87572371833547 0.25000000000000 0.56984580126849 88.906 *5 Y 0.83065880476091 0.75000000000000 0.78080235898981 88.906 6 Y 0.16934119523909 0.25000000000000 0.21919764101019 88.906 *7 Y 0.18827961381651 0.75000000000000 0.72050559278508 88.906 8 Y 0.81172038618349 0.25000000000000 0.27949440721492 88.906 *9 Y 0.48476573728948 0.75000000000000 0.39812497080365 88.906 10 Y 0.51523426271052 0.25000000000000 0.60187502919635 88.906 *11 Y 0.54968316201171 0.75000000000000 0.11510303975456 88.906 12 Y 0.45031683798829 0.25000000000000 0.88489696024544 88.906 *13 S 0.05312617402868 0.75000000000000 0.57508791565353 32.065 14 S 0.94687382597132 0.25000000000000 0.42491208434647 32.065 *15 S 0.26664063990908 0.75000000000000 0.87378244969255 32.065 16 S 0.73335936009092 0.25000000000000 0.12621755030745 32.065 *17 S 0.61440098151021 0.75000000000000 0.96609045719752 32.065 18 S 0.38559901848979 0.25000000000000 0.03390954280248 32.065 *19 S 0.63612126994644 0.75000000000000 0.28065277646746 32.065 20 S 0.36387873005356 0.25000000000000 0.71934722353254 32.065 *21 S 0.00632821839904 0.75000000000000 0.26811515421000 32.065 22 S 0.99367178160096 0.25000000000000 0.73188484579000 32.065 *23 S 0.71203915280645 0.75000000000000 0.62948005387556 32.065 24 S 0.28796084719355 0.25000000000000 0.37051994612444 32.065 *25 S 0.95240273204571 0.75000000000000 0.92401059186378 32.065 26 S 0.04759726795429 0.25000000000000 0.07598940813622 32.065 *27 S 0.32005927985619 0.75000000000000 0.18318933315579 32.065 28 S 0.67994072014381 0.25000000000000 0.81681066684421 32.065 *29 S 0.36752469523323 0.75000000000000 0.53243656656484 32.065 30 S 0.63247530476676 0.25000000000000 0.46756343343516 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.091847730028871 0.000000000000000 0.000000000000000 b 0.000000000000000 3.979930480000001 0.000000000000000 c -2.621860835600186 0.000000000000000 17.192264151618303 Atomic positions (fractional): *1 Y 0.18953250262603 0.75000000000000 0.02138132243851 88.906 > 1 2 Y 0.81046749737397 0.25000000000000 0.97861867756149 88.906 > 2 *3 Y 0.12427628166453 0.75000000000000 0.43015419873151 88.906 > 3 4 Y 0.87572371833547 0.25000000000000 0.56984580126849 88.906 > 4 *5 Y 0.83065880476091 0.75000000000000 0.78080235898981 88.906 > 5 6 Y 0.16934119523909 0.25000000000000 0.21919764101019 88.906 > 6 *7 Y 0.18827961381651 0.75000000000000 0.72050559278508 88.906 > 7 8 Y 0.81172038618349 0.25000000000000 0.27949440721492 88.906 > 8 *9 Y 0.48476573728948 0.75000000000000 0.39812497080365 88.906 > 9 10 Y 0.51523426271052 0.25000000000000 0.60187502919635 88.906 > 10 *11 Y 0.54968316201171 0.75000000000000 0.11510303975456 88.906 > 11 12 Y 0.45031683798829 0.25000000000000 0.88489696024544 88.906 > 12 *13 S 0.05312617402868 0.75000000000000 0.57508791565353 32.065 > 13 14 S 0.94687382597132 0.25000000000000 0.42491208434647 32.065 > 14 *15 S 0.26664063990908 0.75000000000000 0.87378244969255 32.065 > 15 16 S 0.73335936009092 0.25000000000000 0.12621755030745 32.065 > 16 *17 S 0.61440098151021 0.75000000000000 0.96609045719752 32.065 > 17 18 S 0.38559901848979 0.25000000000000 0.03390954280248 32.065 > 18 *19 S 0.63612126994644 0.75000000000000 0.28065277646746 32.065 > 19 20 S 0.36387873005356 0.25000000000000 0.71934722353254 32.065 > 20 *21 S 0.00632821839904 0.75000000000000 0.26811515421000 32.065 > 21 22 S 0.99367178160096 0.25000000000000 0.73188484579000 32.065 > 22 *23 S 0.71203915280645 0.75000000000000 0.62948005387556 32.065 > 23 24 S 0.28796084719355 0.25000000000000 0.37051994612444 32.065 > 24 *25 S 0.95240273204571 0.75000000000000 0.92401059186378 32.065 > 25 26 S 0.04759726795429 0.25000000000000 0.07598940813622 32.065 > 26 *27 S 0.32005927985619 0.75000000000000 0.18318933315579 32.065 > 27 28 S 0.67994072014381 0.25000000000000 0.81681066684421 32.065 > 28 *29 S 0.36752469523323 0.75000000000000 0.53243656656484 32.065 > 29 30 S 0.63247530476676 0.25000000000000 0.46756343343516 32.065 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.091847730028871 0.000000000000000 0.000000000000000 b 0.000000000000000 11.939791440000004 0.000000000000000 c -2.621860835600186 0.000000000000000 17.192264151618303 Atomic positions (fractional): *1 Y 0.18953250262603 0.25000000000000 0.02138132243851 88.906 > 1 2 Y 0.18953250262603 0.58333333333333 0.02138132243851 88.906 > 1 3 Y 0.18953250262603 0.91666666666667 0.02138132243851 88.906 > 1 4 Y 0.81046749737397 0.08333333333333 0.97861867756149 88.906 > 2 5 Y 0.81046749737397 0.41666666666667 0.97861867756149 88.906 > 2 6 Y 0.81046749737397 0.75000000000000 0.97861867756149 88.906 > 2 *7 Y 0.12427628166453 0.25000000000000 0.43015419873151 88.906 > 3 8 Y 0.12427628166453 0.58333333333333 0.43015419873151 88.906 > 3 9 Y 0.12427628166453 0.91666666666667 0.43015419873151 88.906 > 3 10 Y 0.87572371833547 0.08333333333333 0.56984580126849 88.906 > 4 11 Y 0.87572371833547 0.41666666666667 0.56984580126849 88.906 > 4 12 Y 0.87572371833547 0.75000000000000 0.56984580126849 88.906 > 4 *13 Y 0.83065880476091 0.25000000000000 0.78080235898981 88.906 > 5 14 Y 0.83065880476091 0.58333333333333 0.78080235898981 88.906 > 5 15 Y 0.83065880476091 0.91666666666667 0.78080235898981 88.906 > 5 16 Y 0.16934119523909 0.08333333333333 0.21919764101019 88.906 > 6 17 Y 0.16934119523909 0.41666666666667 0.21919764101019 88.906 > 6 18 Y 0.16934119523909 0.75000000000000 0.21919764101019 88.906 > 6 *19 Y 0.18827961381651 0.25000000000000 0.72050559278508 88.906 > 7 20 Y 0.18827961381651 0.58333333333333 0.72050559278508 88.906 > 7 21 Y 0.18827961381651 0.91666666666667 0.72050559278508 88.906 > 7 22 Y 0.81172038618349 0.08333333333333 0.27949440721492 88.906 > 8 23 Y 0.81172038618349 0.41666666666667 0.27949440721492 88.906 > 8 24 Y 0.81172038618349 0.75000000000000 0.27949440721492 88.906 > 8 *25 Y 0.48476573728948 0.25000000000000 0.39812497080365 88.906 > 9 26 Y 0.48476573728948 0.58333333333333 0.39812497080365 88.906 > 9 27 Y 0.48476573728948 0.91666666666667 0.39812497080365 88.906 > 9 28 Y 0.51523426271052 0.08333333333333 0.60187502919635 88.906 > 10 29 Y 0.51523426271052 0.41666666666667 0.60187502919635 88.906 > 10 30 Y 0.51523426271052 0.75000000000000 0.60187502919635 88.906 > 10 *31 Y 0.54968316201171 0.25000000000000 0.11510303975456 88.906 > 11 32 Y 0.54968316201171 0.58333333333333 0.11510303975456 88.906 > 11 33 Y 0.54968316201171 0.91666666666667 0.11510303975456 88.906 > 11 34 Y 0.45031683798829 0.08333333333333 0.88489696024544 88.906 > 12 35 Y 0.45031683798829 0.41666666666667 0.88489696024544 88.906 > 12 36 Y 0.45031683798829 0.75000000000000 0.88489696024544 88.906 > 12 *37 S 0.05312617402868 0.25000000000000 0.57508791565353 32.065 > 13 38 S 0.05312617402868 0.58333333333333 0.57508791565353 32.065 > 13 39 S 0.05312617402868 0.91666666666667 0.57508791565353 32.065 > 13 40 S 0.94687382597132 0.08333333333333 0.42491208434647 32.065 > 14 41 S 0.94687382597132 0.41666666666667 0.42491208434647 32.065 > 14 42 S 0.94687382597132 0.75000000000000 0.42491208434647 32.065 > 14 *43 S 0.26664063990908 0.25000000000000 0.87378244969255 32.065 > 15 44 S 0.26664063990908 0.58333333333333 0.87378244969255 32.065 > 15 45 S 0.26664063990908 0.91666666666667 0.87378244969255 32.065 > 15 46 S 0.73335936009092 0.08333333333333 0.12621755030745 32.065 > 16 47 S 0.73335936009092 0.41666666666667 0.12621755030745 32.065 > 16 48 S 0.73335936009092 0.75000000000000 0.12621755030745 32.065 > 16 *49 S 0.61440098151021 0.25000000000000 0.96609045719752 32.065 > 17 50 S 0.61440098151021 0.58333333333333 0.96609045719752 32.065 > 17 51 S 0.61440098151021 0.91666666666667 0.96609045719752 32.065 > 17 52 S 0.38559901848979 0.08333333333333 0.03390954280248 32.065 > 18 53 S 0.38559901848979 0.41666666666667 0.03390954280248 32.065 > 18 54 S 0.38559901848979 0.75000000000000 0.03390954280248 32.065 > 18 *55 S 0.63612126994644 0.25000000000000 0.28065277646746 32.065 > 19 56 S 0.63612126994644 0.58333333333333 0.28065277646746 32.065 > 19 57 S 0.63612126994644 0.91666666666667 0.28065277646746 32.065 > 19 58 S 0.36387873005356 0.08333333333333 0.71934722353254 32.065 > 20 59 S 0.36387873005356 0.41666666666667 0.71934722353254 32.065 > 20 60 S 0.36387873005356 0.75000000000000 0.71934722353254 32.065 > 20 *61 S 0.00632821839904 0.25000000000000 0.26811515421000 32.065 > 21 62 S 0.00632821839904 0.58333333333333 0.26811515421000 32.065 > 21 63 S 0.00632821839904 0.91666666666667 0.26811515421000 32.065 > 21 64 S 0.99367178160096 0.08333333333333 0.73188484579000 32.065 > 22 65 S 0.99367178160096 0.41666666666667 0.73188484579000 32.065 > 22 66 S 0.99367178160096 0.75000000000000 0.73188484579000 32.065 > 22 *67 S 0.71203915280645 0.25000000000000 0.62948005387556 32.065 > 23 68 S 0.71203915280645 0.58333333333333 0.62948005387556 32.065 > 23 69 S 0.71203915280645 0.91666666666667 0.62948005387556 32.065 > 23 70 S 0.28796084719355 0.08333333333333 0.37051994612444 32.065 > 24 71 S 0.28796084719355 0.41666666666667 0.37051994612444 32.065 > 24 72 S 0.28796084719355 0.75000000000000 0.37051994612444 32.065 > 24 *73 S 0.95240273204571 0.25000000000000 0.92401059186378 32.065 > 25 74 S 0.95240273204571 0.58333333333333 0.92401059186378 32.065 > 25 75 S 0.95240273204571 0.91666666666667 0.92401059186378 32.065 > 25 76 S 0.04759726795429 0.08333333333333 0.07598940813622 32.065 > 26 77 S 0.04759726795429 0.41666666666667 0.07598940813622 32.065 > 26 78 S 0.04759726795429 0.75000000000000 0.07598940813622 32.065 > 26 *79 S 0.32005927985619 0.25000000000000 0.18318933315579 32.065 > 27 80 S 0.32005927985619 0.58333333333333 0.18318933315579 32.065 > 27 81 S 0.32005927985619 0.91666666666667 0.18318933315579 32.065 > 27 82 S 0.67994072014381 0.08333333333333 0.81681066684421 32.065 > 28 83 S 0.67994072014381 0.41666666666667 0.81681066684421 32.065 > 28 84 S 0.67994072014381 0.75000000000000 0.81681066684421 32.065 > 28 *85 S 0.36752469523323 0.25000000000000 0.53243656656484 32.065 > 29 86 S 0.36752469523323 0.58333333333333 0.53243656656484 32.065 > 29 87 S 0.36752469523323 0.91666666666667 0.53243656656484 32.065 > 29 88 S 0.63247530476676 0.08333333333333 0.46756343343516 32.065 > 30 89 S 0.63247530476676 0.41666666666667 0.46756343343516 32.065 > 30 90 S 0.63247530476676 0.75000000000000 0.46756343343516 32.065 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.0999215 0.0000000 0.0441317 0.0000000 7.0877413 0.0000000 0.0441211 0.0000000 6.9512655 -------------------------- Born effective charges -------------------------- 1 Y 4.0114131 0.0000000 -0.0728359 0.0000000 3.6016297 0.0000000 -0.0494059 0.0000000 3.1709512 2 Y 4.0114131 0.0000000 -0.0728359 0.0000000 3.6016297 0.0000000 -0.0494059 0.0000000 3.1709512 3 Y 3.9758595 0.0000000 -0.0871756 0.0000000 3.6646305 0.0000000 -0.0122348 0.0000000 3.4580703 4 Y 3.9758595 0.0000000 -0.0871756 0.0000000 3.6646305 0.0000000 -0.0122348 0.0000000 3.4580703 5 Y 3.1670480 0.0000000 -0.2433378 0.0000000 4.5039172 0.0000000 -0.5677656 0.0000000 4.4041502 6 Y 3.1670480 0.0000000 -0.2433378 0.0000000 4.5039172 0.0000000 -0.5677656 0.0000000 4.4041502 7 Y 3.9306335 0.0000000 0.9041186 0.0000000 4.2674854 0.0000000 0.6571609 0.0000000 4.0745251 8 Y 3.9306335 0.0000000 0.9041186 0.0000000 4.2674854 0.0000000 0.6571609 0.0000000 4.0745251 9 Y 3.7868159 0.0000000 -0.2574184 0.0000000 4.3557758 0.0000000 -0.1205908 0.0000000 3.8536203 10 Y 3.7868159 0.0000000 -0.2574184 0.0000000 4.3557758 0.0000000 -0.1205908 0.0000000 3.8536203 11 Y 3.8816658 0.0000000 0.0515510 0.0000000 3.7294766 0.0000000 0.2985050 0.0000000 3.4269543 12 Y 3.8816658 0.0000000 0.0515510 0.0000000 3.7294766 0.0000000 0.2985050 0.0000000 3.4269543 13 S -2.2754519 0.0000000 0.0618009 0.0000000 -2.3231436 0.0000000 -0.0936680 0.0000000 -2.8553267 14 S -2.2754519 0.0000000 0.0618009 0.0000000 -2.3231436 0.0000000 -0.0936680 0.0000000 -2.8553267 15 S -2.1766066 0.0000000 -0.1495558 0.0000000 -2.2431063 0.0000000 -0.1741560 0.0000000 -3.0405250 16 S -2.1766066 0.0000000 -0.1495558 0.0000000 -2.2431063 0.0000000 -0.1741560 0.0000000 -3.0405250 17 S -2.5176674 0.0000000 -0.1198351 0.0000000 -3.0093518 0.0000000 -0.1782764 0.0000000 -1.9668797 18 S -2.5176674 0.0000000 -0.1198351 0.0000000 -3.0093518 0.0000000 -0.1782764 0.0000000 -1.9668797 19 S -2.6135115 0.0000000 0.5056571 0.0000000 -2.5682438 0.0000000 0.5280296 0.0000000 -2.6519893 20 S -2.6135115 0.0000000 0.5056571 0.0000000 -2.5682438 0.0000000 0.5280296 0.0000000 -2.6519893 21 S -2.7396736 0.0000000 0.2121977 0.0000000 -3.4905656 0.0000000 0.2903605 0.0000000 -2.0241293 22 S -2.7396736 0.0000000 0.2121977 0.0000000 -3.4905656 0.0000000 0.2903605 0.0000000 -2.0241293 23 S -2.6635953 0.0000000 -0.2056526 0.0000000 -3.0766801 0.0000000 -0.2398074 0.0000000 -2.2534022 24 S -2.6635953 0.0000000 -0.2056526 0.0000000 -3.0766801 0.0000000 -0.2398074 0.0000000 -2.2534022 25 S -2.5339882 0.0000000 -0.5662862 0.0000000 -2.1060617 0.0000000 -0.3979290 0.0000000 -2.6369275 26 S -2.5339882 0.0000000 -0.5662862 0.0000000 -2.1060617 0.0000000 -0.3979290 0.0000000 -2.6369275 27 S -2.7100438 0.0000000 0.6059706 0.0000000 -2.7122932 0.0000000 0.5471240 0.0000000 -2.3577915 28 S -2.7100438 0.0000000 0.6059706 0.0000000 -2.7122932 0.0000000 0.5471240 0.0000000 -2.3577915 29 S -2.5228975 0.0000000 -0.6391984 0.0000000 -2.5934690 0.0000000 -0.4873463 0.0000000 -2.6013001 30 S -2.5228975 0.0000000 -0.6391984 0.0000000 -2.5934690 0.0000000 -0.4873463 0.0000000 -2.6013001 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 270/270 Permutation basis: 12375/12375 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3240 Number of blocks in projector: 3240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 900 Use submatrix version of eigh solver. (1) Block: 500 / 900 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 900 / 900 (1) 371 eigenvectors found. (1) Complementary block size: 58 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 450 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 450 Use standard eigh solver. Tree of FC basis block matrices: - (3240, 3166), data: False |-- (450, 450), data: True |-- (450, 450), data: True |-- (480, 465), data: True |-- (480, 465), data: True |-- (480, 465), data: True |-- (900, 871), data: False |-- (900, 29), data: (900, 58) @ (58, 29) |-- (400, 371), data: True |-- (500, 471), data: False |-- (500, 29), data: (500, 58) @ (58, 29) |-- (250, 221), data: True |-- (250, 221), data: True ----- Solver_atoms: 1 -- 90 / 90 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 960 - Time: 0.685 Solver_block: 200 / 960 - Time: 0.573 Solver_block: 300 / 960 - Time: 0.574 Solver_block: 400 / 960 - Time: 0.574 Solver_block: 500 / 960 - Time: 0.573 Solver_block: 600 / 960 - Time: 0.573 Solver_block: 700 / 960 - Time: 0.578 Solver_block: 800 / 960 - Time: 0.577 Solver_block: 900 / 960 - Time: 0.576 Solver_block: 960 / 960 - Time: 0.400 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.818 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 270/270 Permutation basis: 12375/12375 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3240 Number of blocks in projector: 3240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 900 Use submatrix version of eigh solver. (1) Block: 500 / 900 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 900 / 900 (1) 371 eigenvectors found. (1) Complementary block size: 58 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 450 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 450 Use standard eigh solver. Tree of FC basis block matrices: - (3240, 3166), data: False |-- (450, 450), data: True |-- (450, 450), data: True |-- (480, 465), data: True |-- (480, 465), data: True |-- (480, 465), data: True |-- (900, 871), data: False |-- (900, 29), data: (900, 58) @ (58, 29) |-- (400, 371), data: True |-- (500, 471), data: False |-- (500, 29), data: (500, 58) @ (58, 29) |-- (250, 221), data: True |-- (250, 221), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:13:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:13:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.091847730028871 0.000000000000000 0.000000000000000 b 0.000000000000000 3.979930480000001 0.000000000000000 c -2.621860835600186 0.000000000000000 17.192264151618303 Atomic positions (fractional): 1 Y 0.18953250262603 0.75000000000000 0.02138132243851 88.906 2 Y 0.81046749737397 0.25000000000000 0.97861867756149 88.906 3 Y 0.12427628166453 0.75000000000000 0.43015419873151 88.906 4 Y 0.87572371833547 0.25000000000000 0.56984580126849 88.906 5 Y 0.83065880476091 0.75000000000000 0.78080235898981 88.906 6 Y 0.16934119523909 0.25000000000000 0.21919764101019 88.906 7 Y 0.18827961381651 0.75000000000000 0.72050559278508 88.906 8 Y 0.81172038618349 0.25000000000000 0.27949440721492 88.906 9 Y 0.48476573728948 0.75000000000000 0.39812497080365 88.906 10 Y 0.51523426271052 0.25000000000000 0.60187502919635 88.906 11 Y 0.54968316201171 0.75000000000000 0.11510303975456 88.906 12 Y 0.45031683798829 0.25000000000000 0.88489696024544 88.906 13 S 0.05312617402868 0.75000000000000 0.57508791565353 32.065 14 S 0.94687382597132 0.25000000000000 0.42491208434647 32.065 15 S 0.26664063990908 0.75000000000000 0.87378244969255 32.065 16 S 0.73335936009092 0.25000000000000 0.12621755030745 32.065 17 S 0.61440098151021 0.75000000000000 0.96609045719752 32.065 18 S 0.38559901848979 0.25000000000000 0.03390954280248 32.065 19 S 0.63612126994644 0.75000000000000 0.28065277646746 32.065 20 S 0.36387873005356 0.25000000000000 0.71934722353254 32.065 21 S 0.00632821839904 0.75000000000000 0.26811515421000 32.065 22 S 0.99367178160096 0.25000000000000 0.73188484579000 32.065 23 S 0.71203915280645 0.75000000000000 0.62948005387556 32.065 24 S 0.28796084719355 0.25000000000000 0.37051994612444 32.065 25 S 0.95240273204571 0.75000000000000 0.92401059186378 32.065 26 S 0.04759726795429 0.25000000000000 0.07598940813622 32.065 27 S 0.32005927985619 0.75000000000000 0.18318933315579 32.065 28 S 0.67994072014381 0.25000000000000 0.81681066684421 32.065 29 S 0.36752469523323 0.75000000000000 0.53243656656484 32.065 30 S 0.63247530476676 0.25000000000000 0.46756343343516 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.091847730028871 0.000000000000000 0.000000000000000 b 0.000000000000000 11.939791440000004 0.000000000000000 c -2.621860835600186 0.000000000000000 17.192264151618303 Atomic positions (fractional): 1 Y 0.18953250262603 0.25000000000000 0.02138132243851 88.906 > 1 2 Y 0.18953250262603 0.58333333333333 0.02138132243851 88.906 > 1 3 Y 0.18953250262603 0.91666666666667 0.02138132243851 88.906 > 1 4 Y 0.81046749737397 0.08333333333333 0.97861867756149 88.906 > 4 5 Y 0.81046749737397 0.41666666666667 0.97861867756149 88.906 > 4 6 Y 0.81046749737397 0.75000000000000 0.97861867756149 88.906 > 4 7 Y 0.12427628166453 0.25000000000000 0.43015419873151 88.906 > 7 8 Y 0.12427628166453 0.58333333333333 0.43015419873151 88.906 > 7 9 Y 0.12427628166453 0.91666666666667 0.43015419873151 88.906 > 7 10 Y 0.87572371833547 0.08333333333333 0.56984580126849 88.906 > 10 11 Y 0.87572371833547 0.41666666666667 0.56984580126849 88.906 > 10 12 Y 0.87572371833547 0.75000000000000 0.56984580126849 88.906 > 10 13 Y 0.83065880476091 0.25000000000000 0.78080235898981 88.906 > 13 14 Y 0.83065880476091 0.58333333333333 0.78080235898981 88.906 > 13 15 Y 0.83065880476091 0.91666666666667 0.78080235898981 88.906 > 13 16 Y 0.16934119523909 0.08333333333333 0.21919764101019 88.906 > 16 17 Y 0.16934119523909 0.41666666666667 0.21919764101019 88.906 > 16 18 Y 0.16934119523909 0.75000000000000 0.21919764101019 88.906 > 16 19 Y 0.18827961381651 0.25000000000000 0.72050559278508 88.906 > 19 20 Y 0.18827961381651 0.58333333333333 0.72050559278508 88.906 > 19 21 Y 0.18827961381651 0.91666666666667 0.72050559278508 88.906 > 19 22 Y 0.81172038618349 0.08333333333333 0.27949440721492 88.906 > 22 23 Y 0.81172038618349 0.41666666666667 0.27949440721492 88.906 > 22 24 Y 0.81172038618349 0.75000000000000 0.27949440721492 88.906 > 22 25 Y 0.48476573728948 0.25000000000000 0.39812497080365 88.906 > 25 26 Y 0.48476573728948 0.58333333333333 0.39812497080365 88.906 > 25 27 Y 0.48476573728948 0.91666666666667 0.39812497080365 88.906 > 25 28 Y 0.51523426271052 0.08333333333333 0.60187502919635 88.906 > 28 29 Y 0.51523426271052 0.41666666666667 0.60187502919635 88.906 > 28 30 Y 0.51523426271052 0.75000000000000 0.60187502919635 88.906 > 28 31 Y 0.54968316201171 0.25000000000000 0.11510303975456 88.906 > 31 32 Y 0.54968316201171 0.58333333333333 0.11510303975456 88.906 > 31 33 Y 0.54968316201171 0.91666666666667 0.11510303975456 88.906 > 31 34 Y 0.45031683798829 0.08333333333333 0.88489696024544 88.906 > 34 35 Y 0.45031683798829 0.41666666666667 0.88489696024544 88.906 > 34 36 Y 0.45031683798829 0.75000000000000 0.88489696024544 88.906 > 34 37 S 0.05312617402868 0.25000000000000 0.57508791565353 32.065 > 37 38 S 0.05312617402868 0.58333333333333 0.57508791565353 32.065 > 37 39 S 0.05312617402868 0.91666666666667 0.57508791565353 32.065 > 37 40 S 0.94687382597132 0.08333333333333 0.42491208434647 32.065 > 40 41 S 0.94687382597132 0.41666666666667 0.42491208434647 32.065 > 40 42 S 0.94687382597132 0.75000000000000 0.42491208434647 32.065 > 40 43 S 0.26664063990908 0.25000000000000 0.87378244969255 32.065 > 43 44 S 0.26664063990908 0.58333333333333 0.87378244969255 32.065 > 43 45 S 0.26664063990908 0.91666666666667 0.87378244969255 32.065 > 43 46 S 0.73335936009092 0.08333333333333 0.12621755030745 32.065 > 46 47 S 0.73335936009092 0.41666666666667 0.12621755030745 32.065 > 46 48 S 0.73335936009092 0.75000000000000 0.12621755030745 32.065 > 46 49 S 0.61440098151021 0.25000000000000 0.96609045719752 32.065 > 49 50 S 0.61440098151021 0.58333333333333 0.96609045719752 32.065 > 49 51 S 0.61440098151021 0.91666666666667 0.96609045719752 32.065 > 49 52 S 0.38559901848979 0.08333333333333 0.03390954280248 32.065 > 52 53 S 0.38559901848979 0.41666666666667 0.03390954280248 32.065 > 52 54 S 0.38559901848979 0.75000000000000 0.03390954280248 32.065 > 52 55 S 0.63612126994644 0.25000000000000 0.28065277646746 32.065 > 55 56 S 0.63612126994644 0.58333333333333 0.28065277646746 32.065 > 55 57 S 0.63612126994644 0.91666666666667 0.28065277646746 32.065 > 55 58 S 0.36387873005356 0.08333333333333 0.71934722353254 32.065 > 58 59 S 0.36387873005356 0.41666666666667 0.71934722353254 32.065 > 58 60 S 0.36387873005356 0.75000000000000 0.71934722353254 32.065 > 58 61 S 0.00632821839904 0.25000000000000 0.26811515421000 32.065 > 61 62 S 0.00632821839904 0.58333333333333 0.26811515421000 32.065 > 61 63 S 0.00632821839904 0.91666666666667 0.26811515421000 32.065 > 61 64 S 0.99367178160096 0.08333333333333 0.73188484579000 32.065 > 64 65 S 0.99367178160096 0.41666666666667 0.73188484579000 32.065 > 64 66 S 0.99367178160096 0.75000000000000 0.73188484579000 32.065 > 64 67 S 0.71203915280645 0.25000000000000 0.62948005387556 32.065 > 67 68 S 0.71203915280645 0.58333333333333 0.62948005387556 32.065 > 67 69 S 0.71203915280645 0.91666666666667 0.62948005387556 32.065 > 67 70 S 0.28796084719355 0.08333333333333 0.37051994612444 32.065 > 70 71 S 0.28796084719355 0.41666666666667 0.37051994612444 32.065 > 70 72 S 0.28796084719355 0.75000000000000 0.37051994612444 32.065 > 70 73 S 0.95240273204571 0.25000000000000 0.92401059186378 32.065 > 73 74 S 0.95240273204571 0.58333333333333 0.92401059186378 32.065 > 73 75 S 0.95240273204571 0.91666666666667 0.92401059186378 32.065 > 73 76 S 0.04759726795429 0.08333333333333 0.07598940813622 32.065 > 76 77 S 0.04759726795429 0.41666666666667 0.07598940813622 32.065 > 76 78 S 0.04759726795429 0.75000000000000 0.07598940813622 32.065 > 76 79 S 0.32005927985619 0.25000000000000 0.18318933315579 32.065 > 79 80 S 0.32005927985619 0.58333333333333 0.18318933315579 32.065 > 79 81 S 0.32005927985619 0.91666666666667 0.18318933315579 32.065 > 79 82 S 0.67994072014381 0.08333333333333 0.81681066684421 32.065 > 82 83 S 0.67994072014381 0.41666666666667 0.81681066684421 32.065 > 82 84 S 0.67994072014381 0.75000000000000 0.81681066684421 32.065 > 82 85 S 0.36752469523323 0.25000000000000 0.53243656656484 32.065 > 85 86 S 0.36752469523323 0.58333333333333 0.53243656656484 32.065 > 85 87 S 0.36752469523323 0.91666666666667 0.53243656656484 32.065 > 85 88 S 0.63247530476676 0.08333333333333 0.46756343343516 32.065 > 88 89 S 0.63247530476676 0.41666666666667 0.46756343343516 32.065 > 88 90 S 0.63247530476676 0.75000000000000 0.46756343343516 32.065 > 88 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.0999215 0.0000000 0.0441317 0.0000000 7.0877413 0.0000000 0.0441211 0.0000000 6.9512655 -------------------------- Born effective charges -------------------------- 1 Y 4.0114131 0.0000000 -0.0728359 0.0000000 3.6016297 0.0000000 -0.0494059 0.0000000 3.1709512 2 Y 4.0114131 0.0000000 -0.0728359 0.0000000 3.6016297 0.0000000 -0.0494059 0.0000000 3.1709512 3 Y 3.9758595 0.0000000 -0.0871756 0.0000000 3.6646305 0.0000000 -0.0122348 0.0000000 3.4580703 4 Y 3.9758595 0.0000000 -0.0871756 0.0000000 3.6646305 0.0000000 -0.0122348 0.0000000 3.4580703 5 Y 3.1670480 0.0000000 -0.2433378 0.0000000 4.5039172 0.0000000 -0.5677656 0.0000000 4.4041502 6 Y 3.1670480 0.0000000 -0.2433378 0.0000000 4.5039172 0.0000000 -0.5677656 0.0000000 4.4041502 7 Y 3.9306335 0.0000000 0.9041186 0.0000000 4.2674854 0.0000000 0.6571609 0.0000000 4.0745251 8 Y 3.9306335 0.0000000 0.9041186 0.0000000 4.2674854 0.0000000 0.6571609 0.0000000 4.0745251 9 Y 3.7868159 0.0000000 -0.2574184 0.0000000 4.3557758 0.0000000 -0.1205908 0.0000000 3.8536203 10 Y 3.7868159 0.0000000 -0.2574184 0.0000000 4.3557758 0.0000000 -0.1205908 0.0000000 3.8536203 11 Y 3.8816658 0.0000000 0.0515510 0.0000000 3.7294766 0.0000000 0.2985050 0.0000000 3.4269543 12 Y 3.8816658 0.0000000 0.0515510 0.0000000 3.7294766 0.0000000 0.2985050 0.0000000 3.4269543 13 S -2.2754519 0.0000000 0.0618009 0.0000000 -2.3231436 0.0000000 -0.0936680 0.0000000 -2.8553267 14 S -2.2754519 0.0000000 0.0618009 0.0000000 -2.3231436 0.0000000 -0.0936680 0.0000000 -2.8553267 15 S -2.1766066 0.0000000 -0.1495558 0.0000000 -2.2431063 0.0000000 -0.1741560 0.0000000 -3.0405250 16 S -2.1766066 0.0000000 -0.1495558 0.0000000 -2.2431063 0.0000000 -0.1741560 0.0000000 -3.0405250 17 S -2.5176674 0.0000000 -0.1198351 0.0000000 -3.0093518 0.0000000 -0.1782764 0.0000000 -1.9668797 18 S -2.5176674 0.0000000 -0.1198351 0.0000000 -3.0093518 0.0000000 -0.1782764 0.0000000 -1.9668797 19 S -2.6135115 0.0000000 0.5056571 0.0000000 -2.5682438 0.0000000 0.5280296 0.0000000 -2.6519893 20 S -2.6135115 0.0000000 0.5056571 0.0000000 -2.5682438 0.0000000 0.5280296 0.0000000 -2.6519893 21 S -2.7396736 0.0000000 0.2121977 0.0000000 -3.4905656 0.0000000 0.2903605 0.0000000 -2.0241293 22 S -2.7396736 0.0000000 0.2121977 0.0000000 -3.4905656 0.0000000 0.2903605 0.0000000 -2.0241293 23 S -2.6635953 0.0000000 -0.2056526 0.0000000 -3.0766801 0.0000000 -0.2398074 0.0000000 -2.2534022 24 S -2.6635953 0.0000000 -0.2056526 0.0000000 -3.0766801 0.0000000 -0.2398074 0.0000000 -2.2534022 25 S -2.5339882 0.0000000 -0.5662862 0.0000000 -2.1060617 0.0000000 -0.3979290 0.0000000 -2.6369275 26 S -2.5339882 0.0000000 -0.5662862 0.0000000 -2.1060617 0.0000000 -0.3979290 0.0000000 -2.6369275 27 S -2.7100438 0.0000000 0.6059706 0.0000000 -2.7122932 0.0000000 0.5471240 0.0000000 -2.3577915 28 S -2.7100438 0.0000000 0.6059706 0.0000000 -2.7122932 0.0000000 0.5471240 0.0000000 -2.3577915 29 S -2.5228975 0.0000000 -0.6391984 0.0000000 -2.5934690 0.0000000 -0.4873463 0.0000000 -2.6013001 30 S -2.5228975 0.0000000 -0.6391984 0.0000000 -2.5934690 0.0000000 -0.4873463 0.0000000 -2.6013001 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyy) -0.00000000 (xyy) -0.00000000 (xyy) 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 10:14:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:14:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.091847730028871 0.000000000000000 0.000000000000000 b 0.000000000000000 3.979930480000001 0.000000000000000 c -2.621860835600186 0.000000000000000 17.192264151618303 Atomic positions (fractional): 1 Y 0.18953250262603 0.75000000000000 0.02138132243851 88.906 2 Y 0.81046749737397 0.25000000000000 0.97861867756149 88.906 3 Y 0.12427628166453 0.75000000000000 0.43015419873151 88.906 4 Y 0.87572371833547 0.25000000000000 0.56984580126849 88.906 5 Y 0.83065880476091 0.75000000000000 0.78080235898981 88.906 6 Y 0.16934119523909 0.25000000000000 0.21919764101019 88.906 7 Y 0.18827961381651 0.75000000000000 0.72050559278508 88.906 8 Y 0.81172038618349 0.25000000000000 0.27949440721492 88.906 9 Y 0.48476573728948 0.75000000000000 0.39812497080365 88.906 10 Y 0.51523426271052 0.25000000000000 0.60187502919635 88.906 11 Y 0.54968316201171 0.75000000000000 0.11510303975456 88.906 12 Y 0.45031683798829 0.25000000000000 0.88489696024544 88.906 13 S 0.05312617402868 0.75000000000000 0.57508791565353 32.065 14 S 0.94687382597132 0.25000000000000 0.42491208434647 32.065 15 S 0.26664063990908 0.75000000000000 0.87378244969255 32.065 16 S 0.73335936009092 0.25000000000000 0.12621755030745 32.065 17 S 0.61440098151021 0.75000000000000 0.96609045719752 32.065 18 S 0.38559901848979 0.25000000000000 0.03390954280248 32.065 19 S 0.63612126994644 0.75000000000000 0.28065277646746 32.065 20 S 0.36387873005356 0.25000000000000 0.71934722353254 32.065 21 S 0.00632821839904 0.75000000000000 0.26811515421000 32.065 22 S 0.99367178160096 0.25000000000000 0.73188484579000 32.065 23 S 0.71203915280645 0.75000000000000 0.62948005387556 32.065 24 S 0.28796084719355 0.25000000000000 0.37051994612444 32.065 25 S 0.95240273204571 0.75000000000000 0.92401059186378 32.065 26 S 0.04759726795429 0.25000000000000 0.07598940813622 32.065 27 S 0.32005927985619 0.75000000000000 0.18318933315579 32.065 28 S 0.67994072014381 0.25000000000000 0.81681066684421 32.065 29 S 0.36752469523323 0.75000000000000 0.53243656656484 32.065 30 S 0.63247530476676 0.25000000000000 0.46756343343516 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.091847730028871 0.000000000000000 0.000000000000000 b 0.000000000000000 11.939791440000004 0.000000000000000 c -2.621860835600186 0.000000000000000 17.192264151618303 Atomic positions (fractional): 1 Y 0.18953250262603 0.25000000000000 0.02138132243851 88.906 > 1 2 Y 0.18953250262603 0.58333333333333 0.02138132243851 88.906 > 1 3 Y 0.18953250262603 0.91666666666667 0.02138132243851 88.906 > 1 4 Y 0.81046749737397 0.08333333333333 0.97861867756149 88.906 > 4 5 Y 0.81046749737397 0.41666666666667 0.97861867756149 88.906 > 4 6 Y 0.81046749737397 0.75000000000000 0.97861867756149 88.906 > 4 7 Y 0.12427628166453 0.25000000000000 0.43015419873151 88.906 > 7 8 Y 0.12427628166453 0.58333333333333 0.43015419873151 88.906 > 7 9 Y 0.12427628166453 0.91666666666667 0.43015419873151 88.906 > 7 10 Y 0.87572371833547 0.08333333333333 0.56984580126849 88.906 > 10 11 Y 0.87572371833547 0.41666666666667 0.56984580126849 88.906 > 10 12 Y 0.87572371833547 0.75000000000000 0.56984580126849 88.906 > 10 13 Y 0.83065880476091 0.25000000000000 0.78080235898981 88.906 > 13 14 Y 0.83065880476091 0.58333333333333 0.78080235898981 88.906 > 13 15 Y 0.83065880476091 0.91666666666667 0.78080235898981 88.906 > 13 16 Y 0.16934119523909 0.08333333333333 0.21919764101019 88.906 > 16 17 Y 0.16934119523909 0.41666666666667 0.21919764101019 88.906 > 16 18 Y 0.16934119523909 0.75000000000000 0.21919764101019 88.906 > 16 19 Y 0.18827961381651 0.25000000000000 0.72050559278508 88.906 > 19 20 Y 0.18827961381651 0.58333333333333 0.72050559278508 88.906 > 19 21 Y 0.18827961381651 0.91666666666667 0.72050559278508 88.906 > 19 22 Y 0.81172038618349 0.08333333333333 0.27949440721492 88.906 > 22 23 Y 0.81172038618349 0.41666666666667 0.27949440721492 88.906 > 22 24 Y 0.81172038618349 0.75000000000000 0.27949440721492 88.906 > 22 25 Y 0.48476573728948 0.25000000000000 0.39812497080365 88.906 > 25 26 Y 0.48476573728948 0.58333333333333 0.39812497080365 88.906 > 25 27 Y 0.48476573728948 0.91666666666667 0.39812497080365 88.906 > 25 28 Y 0.51523426271052 0.08333333333333 0.60187502919635 88.906 > 28 29 Y 0.51523426271052 0.41666666666667 0.60187502919635 88.906 > 28 30 Y 0.51523426271052 0.75000000000000 0.60187502919635 88.906 > 28 31 Y 0.54968316201171 0.25000000000000 0.11510303975456 88.906 > 31 32 Y 0.54968316201171 0.58333333333333 0.11510303975456 88.906 > 31 33 Y 0.54968316201171 0.91666666666667 0.11510303975456 88.906 > 31 34 Y 0.45031683798829 0.08333333333333 0.88489696024544 88.906 > 34 35 Y 0.45031683798829 0.41666666666667 0.88489696024544 88.906 > 34 36 Y 0.45031683798829 0.75000000000000 0.88489696024544 88.906 > 34 37 S 0.05312617402868 0.25000000000000 0.57508791565353 32.065 > 37 38 S 0.05312617402868 0.58333333333333 0.57508791565353 32.065 > 37 39 S 0.05312617402868 0.91666666666667 0.57508791565353 32.065 > 37 40 S 0.94687382597132 0.08333333333333 0.42491208434647 32.065 > 40 41 S 0.94687382597132 0.41666666666667 0.42491208434647 32.065 > 40 42 S 0.94687382597132 0.75000000000000 0.42491208434647 32.065 > 40 43 S 0.26664063990908 0.25000000000000 0.87378244969255 32.065 > 43 44 S 0.26664063990908 0.58333333333333 0.87378244969255 32.065 > 43 45 S 0.26664063990908 0.91666666666667 0.87378244969255 32.065 > 43 46 S 0.73335936009092 0.08333333333333 0.12621755030745 32.065 > 46 47 S 0.73335936009092 0.41666666666667 0.12621755030745 32.065 > 46 48 S 0.73335936009092 0.75000000000000 0.12621755030745 32.065 > 46 49 S 0.61440098151021 0.25000000000000 0.96609045719752 32.065 > 49 50 S 0.61440098151021 0.58333333333333 0.96609045719752 32.065 > 49 51 S 0.61440098151021 0.91666666666667 0.96609045719752 32.065 > 49 52 S 0.38559901848979 0.08333333333333 0.03390954280248 32.065 > 52 53 S 0.38559901848979 0.41666666666667 0.03390954280248 32.065 > 52 54 S 0.38559901848979 0.75000000000000 0.03390954280248 32.065 > 52 55 S 0.63612126994644 0.25000000000000 0.28065277646746 32.065 > 55 56 S 0.63612126994644 0.58333333333333 0.28065277646746 32.065 > 55 57 S 0.63612126994644 0.91666666666667 0.28065277646746 32.065 > 55 58 S 0.36387873005356 0.08333333333333 0.71934722353254 32.065 > 58 59 S 0.36387873005356 0.41666666666667 0.71934722353254 32.065 > 58 60 S 0.36387873005356 0.75000000000000 0.71934722353254 32.065 > 58 61 S 0.00632821839904 0.25000000000000 0.26811515421000 32.065 > 61 62 S 0.00632821839904 0.58333333333333 0.26811515421000 32.065 > 61 63 S 0.00632821839904 0.91666666666667 0.26811515421000 32.065 > 61 64 S 0.99367178160096 0.08333333333333 0.73188484579000 32.065 > 64 65 S 0.99367178160096 0.41666666666667 0.73188484579000 32.065 > 64 66 S 0.99367178160096 0.75000000000000 0.73188484579000 32.065 > 64 67 S 0.71203915280645 0.25000000000000 0.62948005387556 32.065 > 67 68 S 0.71203915280645 0.58333333333333 0.62948005387556 32.065 > 67 69 S 0.71203915280645 0.91666666666667 0.62948005387556 32.065 > 67 70 S 0.28796084719355 0.08333333333333 0.37051994612444 32.065 > 70 71 S 0.28796084719355 0.41666666666667 0.37051994612444 32.065 > 70 72 S 0.28796084719355 0.75000000000000 0.37051994612444 32.065 > 70 73 S 0.95240273204571 0.25000000000000 0.92401059186378 32.065 > 73 74 S 0.95240273204571 0.58333333333333 0.92401059186378 32.065 > 73 75 S 0.95240273204571 0.91666666666667 0.92401059186378 32.065 > 73 76 S 0.04759726795429 0.08333333333333 0.07598940813622 32.065 > 76 77 S 0.04759726795429 0.41666666666667 0.07598940813622 32.065 > 76 78 S 0.04759726795429 0.75000000000000 0.07598940813622 32.065 > 76 79 S 0.32005927985619 0.25000000000000 0.18318933315579 32.065 > 79 80 S 0.32005927985619 0.58333333333333 0.18318933315579 32.065 > 79 81 S 0.32005927985619 0.91666666666667 0.18318933315579 32.065 > 79 82 S 0.67994072014381 0.08333333333333 0.81681066684421 32.065 > 82 83 S 0.67994072014381 0.41666666666667 0.81681066684421 32.065 > 82 84 S 0.67994072014381 0.75000000000000 0.81681066684421 32.065 > 82 85 S 0.36752469523323 0.25000000000000 0.53243656656484 32.065 > 85 86 S 0.36752469523323 0.58333333333333 0.53243656656484 32.065 > 85 87 S 0.36752469523323 0.91666666666667 0.53243656656484 32.065 > 85 88 S 0.63247530476676 0.08333333333333 0.46756343343516 32.065 > 88 89 S 0.63247530476676 0.41666666666667 0.46756343343516 32.065 > 88 90 S 0.63247530476676 0.75000000000000 0.46756343343516 32.065 > 88 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.0999215 0.0000000 0.0441317 0.0000000 7.0877413 0.0000000 0.0441211 0.0000000 6.9512655 -------------------------- Born effective charges -------------------------- 1 Y 4.0114131 0.0000000 -0.0728359 0.0000000 3.6016297 0.0000000 -0.0494059 0.0000000 3.1709512 2 Y 4.0114131 0.0000000 -0.0728359 0.0000000 3.6016297 0.0000000 -0.0494059 0.0000000 3.1709512 3 Y 3.9758595 0.0000000 -0.0871756 0.0000000 3.6646305 0.0000000 -0.0122348 0.0000000 3.4580703 4 Y 3.9758595 0.0000000 -0.0871756 0.0000000 3.6646305 0.0000000 -0.0122348 0.0000000 3.4580703 5 Y 3.1670480 0.0000000 -0.2433378 0.0000000 4.5039172 0.0000000 -0.5677656 0.0000000 4.4041502 6 Y 3.1670480 0.0000000 -0.2433378 0.0000000 4.5039172 0.0000000 -0.5677656 0.0000000 4.4041502 7 Y 3.9306335 0.0000000 0.9041186 0.0000000 4.2674854 0.0000000 0.6571609 0.0000000 4.0745251 8 Y 3.9306335 0.0000000 0.9041186 0.0000000 4.2674854 0.0000000 0.6571609 0.0000000 4.0745251 9 Y 3.7868159 0.0000000 -0.2574184 0.0000000 4.3557758 0.0000000 -0.1205908 0.0000000 3.8536203 10 Y 3.7868159 0.0000000 -0.2574184 0.0000000 4.3557758 0.0000000 -0.1205908 0.0000000 3.8536203 11 Y 3.8816658 0.0000000 0.0515510 0.0000000 3.7294766 0.0000000 0.2985050 0.0000000 3.4269543 12 Y 3.8816658 0.0000000 0.0515510 0.0000000 3.7294766 0.0000000 0.2985050 0.0000000 3.4269543 13 S -2.2754519 0.0000000 0.0618009 0.0000000 -2.3231436 0.0000000 -0.0936680 0.0000000 -2.8553267 14 S -2.2754519 0.0000000 0.0618009 0.0000000 -2.3231436 0.0000000 -0.0936680 0.0000000 -2.8553267 15 S -2.1766066 0.0000000 -0.1495558 0.0000000 -2.2431063 0.0000000 -0.1741560 0.0000000 -3.0405250 16 S -2.1766066 0.0000000 -0.1495558 0.0000000 -2.2431063 0.0000000 -0.1741560 0.0000000 -3.0405250 17 S -2.5176674 0.0000000 -0.1198351 0.0000000 -3.0093518 0.0000000 -0.1782764 0.0000000 -1.9668797 18 S -2.5176674 0.0000000 -0.1198351 0.0000000 -3.0093518 0.0000000 -0.1782764 0.0000000 -1.9668797 19 S -2.6135115 0.0000000 0.5056571 0.0000000 -2.5682438 0.0000000 0.5280296 0.0000000 -2.6519893 20 S -2.6135115 0.0000000 0.5056571 0.0000000 -2.5682438 0.0000000 0.5280296 0.0000000 -2.6519893 21 S -2.7396736 0.0000000 0.2121977 0.0000000 -3.4905656 0.0000000 0.2903605 0.0000000 -2.0241293 22 S -2.7396736 0.0000000 0.2121977 0.0000000 -3.4905656 0.0000000 0.2903605 0.0000000 -2.0241293 23 S -2.6635953 0.0000000 -0.2056526 0.0000000 -3.0766801 0.0000000 -0.2398074 0.0000000 -2.2534022 24 S -2.6635953 0.0000000 -0.2056526 0.0000000 -3.0766801 0.0000000 -0.2398074 0.0000000 -2.2534022 25 S -2.5339882 0.0000000 -0.5662862 0.0000000 -2.1060617 0.0000000 -0.3979290 0.0000000 -2.6369275 26 S -2.5339882 0.0000000 -0.5662862 0.0000000 -2.1060617 0.0000000 -0.3979290 0.0000000 -2.6369275 27 S -2.7100438 0.0000000 0.6059706 0.0000000 -2.7122932 0.0000000 0.5471240 0.0000000 -2.3577915 28 S -2.7100438 0.0000000 0.6059706 0.0000000 -2.7122932 0.0000000 0.5471240 0.0000000 -2.3577915 29 S -2.5228975 0.0000000 -0.6391984 0.0000000 -2.5934690 0.0000000 -0.4873463 0.0000000 -2.6013001 30 S -2.5228975 0.0000000 -0.6391984 0.0000000 -2.5934690 0.0000000 -0.4873463 0.0000000 -2.6013001 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyy) -0.00000000 (xyy) -0.00000000 (xyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 13 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 287, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.427 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.060 ( 0.000 0.000 0.000) 0.000 6.206 ( 0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 6.399 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 6.764 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.034 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.148 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.514 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 7.840 ( 0.000 0.000 0.000) 0.000 7.994 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.412 ( 0.000 0.000 0.000) 0.000 8.443 ( 0.000 0.000 0.000) 0.000 8.626 ( 0.000 0.000 0.000) 0.000 8.748 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 9.035 ( 0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.546 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 0.000 0.000) 0.000 9.884 ( 0.000 0.000 0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 10.763 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 24.749 0.000 -9.352) 26.457 0.499 ( 24.137 0.000 4.806) 24.611 1.044 ( 44.118 0.000 10.326) 45.311 1.184 ( -21.103 0.000 -6.478) 22.075 1.428 ( 1.068 0.000 -13.326) 13.369 1.491 ( 3.854 0.000 5.641) 6.832 1.607 ( 0.431 0.000 12.618) 12.625 1.827 ( -15.897 0.000 0.554) 15.906 2.001 ( -4.920 0.000 -1.498) 5.143 2.035 ( -19.158 0.000 9.413) 21.346 2.139 ( -7.336 0.000 -2.015) 7.608 2.143 ( -11.902 0.000 -4.230) 12.631 2.359 ( 0.157 0.000 -5.697) 5.699 2.464 ( 6.326 0.000 2.904) 6.961 2.615 ( 5.000 0.000 -2.651) 5.660 2.661 ( 3.132 0.000 0.156) 3.136 2.676 ( -7.049 0.000 0.552) 7.071 2.733 ( -1.273 0.000 0.443) 1.347 2.772 ( -0.214 0.000 0.332) 0.395 2.909 ( -18.729 0.000 -8.087) 20.400 2.995 ( 2.774 0.000 -0.041) 2.774 3.026 ( 10.441 0.000 13.619) 17.161 3.068 ( 18.195 0.000 -21.463) 28.138 3.296 ( 1.375 0.000 3.498) 3.758 3.378 ( 15.112 0.000 -2.991) 15.405 3.773 ( 9.132 0.000 9.876) 13.451 3.968 ( 7.271 0.000 11.884) 13.931 4.111 ( 0.934 0.000 -1.545) 1.806 4.170 ( -29.355 0.000 -7.929) 30.407 4.459 ( -7.808 0.000 6.053) 9.879 4.626 ( -0.430 0.000 2.748) 2.782 4.688 ( -6.273 0.000 2.549) 6.771 4.888 ( -15.785 0.000 -9.088) 18.215 5.009 ( -0.560 0.000 6.325) 6.350 5.148 ( -4.654 0.000 -12.689) 13.516 5.289 ( 1.360 0.000 2.726) 3.046 5.374 ( -3.766 0.000 6.243) 7.291 5.418 ( -3.329 0.000 2.826) 4.367 5.578 ( -0.299 0.000 -0.566) 0.640 5.776 ( -3.638 0.000 -3.283) 4.900 5.936 ( 0.308 0.000 0.123) 0.332 6.042 ( -0.104 0.000 -0.212) 0.236 6.061 ( 10.330 0.000 1.482) 10.436 6.199 ( 7.828 0.000 4.662) 9.111 6.231 ( 2.338 0.000 0.005) 2.338 6.399 ( 0.062 0.000 0.215) 0.224 6.404 ( 4.118 0.000 -2.369) 4.751 6.448 ( -1.000 0.000 0.549) 1.141 6.482 ( -1.949 0.000 8.935) 9.145 6.529 ( -3.928 0.000 -1.046) 4.065 6.627 ( 10.121 0.000 -1.557) 10.240 6.643 ( 1.002 0.000 -0.331) 1.056 6.698 ( 1.902 0.000 1.276) 2.291 6.759 ( 5.627 0.000 -5.830) 8.103 6.785 ( 0.454 0.000 -0.671) 0.810 6.797 ( 2.995 0.000 3.040) 4.268 6.954 ( -0.583 0.000 0.011) 0.583 6.980 ( -0.731 0.000 -0.612) 0.953 7.015 ( -0.969 0.000 0.485) 1.084 7.032 ( 0.005 0.000 -0.620) 0.620 7.034 ( -0.859 0.000 -2.547) 2.688 7.084 ( -0.536 0.000 0.331) 0.630 7.240 ( 1.148 0.000 -0.026) 1.148 7.267 ( -0.047 0.000 -0.153) 0.160 7.299 ( 9.731 0.000 -0.367) 9.738 7.405 ( 2.827 0.000 -19.836) 20.037 7.451 ( -4.117 0.000 7.319) 8.397 7.516 ( 0.188 0.000 0.161) 0.248 7.624 ( 0.167 0.000 -0.242) 0.294 7.653 ( -0.459 0.000 0.146) 0.482 7.789 ( 1.444 0.000 1.562) 2.128 7.809 ( -2.506 0.000 2.489) 3.532 7.849 ( 7.550 0.000 -9.617) 12.227 8.184 ( -5.487 0.000 0.154) 5.489 8.252 ( 3.987 0.000 9.936) 10.706 8.426 ( 0.401 0.000 -3.433) 3.457 8.520 ( -7.709 0.000 2.232) 8.025 8.712 ( -1.483 0.000 -2.845) 3.208 8.812 ( 0.185 0.000 -1.514) 1.526 8.948 ( 0.470 0.000 8.080) 8.094 9.155 ( -2.464 0.000 1.343) 2.806 9.349 ( 6.274 0.000 -12.456) 13.947 9.484 ( -5.127 0.000 -2.612) 5.754 9.626 ( -1.067 0.000 1.396) 1.757 9.803 ( 0.576 0.000 -0.969) 1.128 9.883 ( 7.050 0.000 -0.369) 7.060 9.925 ( 5.120 0.000 -0.420) 5.137 10.401 ( -4.742 0.000 -8.691) 9.901 10.561 ( -6.766 0.000 23.443) 24.400 10.734 ( -2.385 0.000 -1.361) 2.746 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -13.186 0.000 -2.355) 13.394 0.940 ( 12.612 0.000 -9.073) 15.537 0.978 ( 22.445 0.000 4.065) 22.810 1.379 ( -8.391 0.000 -5.375) 9.965 1.477 ( -10.711 0.000 -4.435) 11.593 1.570 ( -6.973 0.000 18.984) 20.224 1.634 ( 7.775 0.000 -2.210) 8.083 1.691 ( 2.022 0.000 8.541) 8.777 1.769 ( -11.095 0.000 -5.434) 12.354 1.916 ( -2.839 0.000 0.080) 2.840 1.978 ( -5.814 0.000 -2.537) 6.344 2.168 ( 5.156 0.000 -7.377) 9.001 2.210 ( 13.188 0.000 8.479) 15.679 2.482 ( -5.002 0.000 0.053) 5.002 2.587 ( 4.639 0.000 1.236) 4.801 2.661 ( -1.022 0.000 -1.261) 1.623 2.710 ( 2.107 0.000 -1.390) 2.524 2.731 ( 1.082 0.000 1.507) 1.855 2.761 ( -1.031 0.000 0.095) 1.036 2.787 ( 5.109 0.000 -0.681) 5.154 3.043 ( 1.457 0.000 -0.014) 1.457 3.211 ( -15.976 0.000 -4.987) 16.736 3.346 ( 5.271 0.000 6.377) 8.274 3.443 ( -7.947 0.000 1.532) 8.093 3.464 ( 18.244 0.000 -20.490) 27.435 3.596 ( -2.135 0.000 -2.875) 3.581 3.949 ( -9.391 0.000 5.770) 11.022 4.002 ( 6.844 0.000 7.071) 9.840 4.116 ( -3.507 0.000 18.943) 19.264 4.325 ( -2.744 0.000 -3.348) 4.329 4.463 ( -9.766 0.000 0.078) 9.766 4.553 ( -8.745 0.000 -8.776) 12.389 4.838 ( 8.948 0.000 0.967) 9.000 4.984 ( -3.389 0.000 -2.537) 4.233 5.085 ( 0.857 0.000 -3.775) 3.871 5.271 ( -4.018 0.000 4.192) 5.806 5.355 ( 3.469 0.000 3.029) 4.605 5.399 ( -0.183 0.000 0.097) 0.207 5.502 ( -5.404 0.000 -4.713) 7.170 5.699 ( -2.721 0.000 0.006) 2.721 5.942 ( 0.202 0.000 0.083) 0.218 6.039 ( -0.069 0.000 -0.143) 0.158 6.246 ( 6.526 0.000 -0.379) 6.537 6.287 ( 2.678 0.000 0.023) 2.678 6.355 ( 6.080 0.000 -0.088) 6.081 6.403 ( -0.044 0.000 0.213) 0.217 6.427 ( -1.744 0.000 2.990) 3.462 6.427 ( -0.865 0.000 0.909) 1.255 6.452 ( -2.828 0.000 -1.201) 3.072 6.486 ( -0.914 0.000 2.358) 2.529 6.659 ( 0.528 0.000 0.045) 0.530 6.723 ( 0.372 0.000 0.241) 0.444 6.747 ( 3.682 0.000 -2.506) 4.454 6.803 ( 1.129 0.000 -0.198) 1.146 6.845 ( 1.519 0.000 0.147) 1.526 6.903 ( 4.444 0.000 0.520) 4.475 6.931 ( -1.237 0.000 -0.066) 1.238 6.945 ( -0.150 0.000 -0.972) 0.984 7.005 ( -0.208 0.000 0.330) 0.390 7.033 ( 0.198 0.000 -0.466) 0.506 7.060 ( 2.504 0.000 -2.352) 3.436 7.075 ( -0.339 0.000 0.306) 0.457 7.256 ( 0.336 0.000 -0.066) 0.343 7.268 ( 0.172 0.000 -0.051) 0.180 7.308 ( -4.592 0.000 3.333) 5.674 7.402 ( 0.812 0.000 -5.752) 5.809 7.521 ( 0.140 0.000 0.107) 0.176 7.589 ( 11.719 0.000 0.692) 11.740 7.628 ( 0.266 0.000 -0.277) 0.384 7.643 ( -0.461 0.000 0.211) 0.507 7.757 ( -3.649 0.000 -1.549) 3.965 7.814 ( 0.037 0.000 2.497) 2.498 7.923 ( -1.084 0.000 -2.148) 2.406 8.097 ( 1.466 0.000 2.703) 3.075 8.312 ( -7.622 0.000 -2.844) 8.136 8.399 ( 4.029 0.000 8.316) 9.240 8.484 ( 3.083 0.000 -0.424) 3.112 8.626 ( -5.428 0.000 -5.318) 7.599 8.795 ( -0.223 0.000 -0.192) 0.295 9.018 ( 2.736 0.000 2.419) 3.652 9.118 ( -0.994 0.000 0.387) 1.066 9.368 ( -4.471 0.000 -1.244) 4.641 9.410 ( 1.961 0.000 -2.721) 3.354 9.638 ( 0.856 0.000 0.702) 1.107 9.803 ( -0.069 0.000 -0.496) 0.501 9.950 ( 1.290 0.000 0.853) 1.547 10.097 ( 8.686 0.000 1.954) 8.903 10.272 ( -5.362 0.000 -6.829) 8.682 10.487 ( -4.220 0.000 7.160) 8.312 10.685 ( -1.591 0.000 -0.705) 1.740 ======================= Grid point 5 (4/56) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 0.000 24.503 0.000) 24.503 0.577 ( 0.000 29.566 0.000) 29.566 1.006 ( 0.000 51.534 0.000) 51.534 1.419 ( 0.000 0.467 0.000) 0.467 1.492 ( 0.000 -5.118 0.000) 5.118 1.608 ( 0.000 15.076 0.000) 15.076 1.649 ( 0.000 5.486 0.000) 5.486 1.962 ( 0.000 -4.317 0.000) 4.317 2.157 ( 0.000 10.506 0.000) 10.506 2.190 ( 0.000 9.094 0.000) 9.094 2.259 ( 0.000 6.343 0.000) 6.343 2.453 ( 0.000 3.375 0.000) 3.375 2.510 ( 0.000 14.563 0.000) 14.563 2.532 ( 0.000 12.102 0.000) 12.102 2.682 ( 0.000 10.476 0.000) 10.476 2.785 ( 0.000 15.578 0.000) 15.578 2.804 ( 0.000 4.128 0.000) 4.128 2.827 ( 0.000 11.536 0.000) 11.536 2.898 ( 0.000 11.531 0.000) 11.531 2.905 ( 0.000 8.322 0.000) 8.322 3.111 ( 0.000 14.447 0.000) 14.447 3.152 ( 0.000 3.655 0.000) 3.655 3.168 ( 0.000 13.054 0.000) 13.054 3.264 ( 0.000 6.266 0.000) 6.266 3.355 ( 0.000 4.028 0.000) 4.028 3.678 ( 0.000 5.848 0.000) 5.848 3.749 ( 0.000 -0.091 0.000) 0.091 4.096 ( 0.000 -0.177 0.000) 0.177 4.446 ( 0.000 -2.158 0.000) 2.158 4.504 ( 0.000 0.868 0.000) 0.868 4.599 ( 0.000 -4.579 0.000) 4.579 4.804 ( 0.000 -3.815 0.000) 3.815 5.032 ( 0.000 -4.369 0.000) 4.369 5.039 ( 0.000 -4.339 0.000) 4.339 5.095 ( 0.000 -2.632 0.000) 2.632 5.249 ( 0.000 -8.714 0.000) 8.714 5.304 ( 0.000 -2.073 0.000) 2.073 5.388 ( 0.000 -3.621 0.000) 3.621 5.518 ( 0.000 -3.889 0.000) 3.889 5.698 ( 0.000 -10.500 0.000) 10.500 5.866 ( 0.000 -2.433 0.000) 2.433 5.949 ( 0.000 -3.748 0.000) 3.748 6.175 ( 0.000 2.845 0.000) 2.845 6.260 ( 0.000 5.473 0.000) 5.473 6.351 ( 0.000 6.732 0.000) 6.732 6.354 ( 0.000 -0.050 0.000) 0.050 6.401 ( 0.000 1.318 0.000) 1.318 6.454 ( 0.000 -2.793 0.000) 2.793 6.489 ( 0.000 -0.915 0.000) 0.915 6.575 ( 0.000 3.589 0.000) 3.589 6.633 ( 0.000 1.843 0.000) 1.843 6.662 ( 0.000 4.519 0.000) 4.519 6.677 ( 0.000 -0.877 0.000) 0.877 6.713 ( 0.000 -0.739 0.000) 0.739 6.761 ( 0.000 1.852 0.000) 1.852 6.797 ( 0.000 7.031 0.000) 7.031 6.978 ( 0.000 -0.552 0.000) 0.552 6.985 ( 0.000 -4.486 0.000) 4.486 7.002 ( 0.000 -1.469 0.000) 1.469 7.056 ( 0.000 2.267 0.000) 2.267 7.084 ( 0.000 4.528 0.000) 4.528 7.162 ( 0.000 3.966 0.000) 3.966 7.206 ( 0.000 3.900 0.000) 3.900 7.272 ( 0.000 2.000 0.000) 2.000 7.357 ( 0.000 8.411 0.000) 8.411 7.472 ( 0.000 2.983 0.000) 2.983 7.485 ( 0.000 2.092 0.000) 2.092 7.576 ( 0.000 3.201 0.000) 3.201 7.639 ( 0.000 1.412 0.000) 1.412 7.680 ( 0.000 2.286 0.000) 2.286 7.796 ( 0.000 -0.476 0.000) 0.476 7.823 ( 0.000 -1.573 0.000) 1.573 7.985 ( 0.000 -1.127 0.000) 1.127 8.209 ( 0.000 2.481 0.000) 2.481 8.405 ( 0.000 -0.701 0.000) 0.701 8.465 ( 0.000 1.870 0.000) 1.870 8.614 ( 0.000 -1.218 0.000) 1.218 8.715 ( 0.000 -3.305 0.000) 3.305 8.765 ( 0.000 -3.346 0.000) 3.346 9.019 ( 0.000 -1.593 0.000) 1.593 9.158 ( 0.000 -2.852 0.000) 2.852 9.511 ( 0.000 -3.651 0.000) 3.651 9.563 ( 0.000 -3.495 0.000) 3.495 9.625 ( 0.000 -4.477 0.000) 4.477 9.695 ( 0.000 -6.627 0.000) 6.627 9.774 ( 0.000 -4.470 0.000) 4.470 9.851 ( 0.000 -2.800 0.000) 2.800 9.864 ( 0.000 -2.421 0.000) 2.421 10.437 ( 0.000 -4.766 0.000) 4.766 10.721 ( 0.000 -4.158 0.000) 4.158 ======================= Grid point 6 (5/56) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 15.717 17.373 -0.959) 23.447 0.801 ( 19.327 20.523 0.836) 28.204 1.137 ( -20.211 1.373 -1.537) 20.316 1.408 ( 26.149 29.458 4.482) 39.644 1.507 ( 7.693 4.837 3.702) 9.813 1.613 ( 4.000 14.570 -13.082) 19.986 1.804 ( 4.094 14.439 7.249) 16.667 1.828 ( -10.545 0.567 3.173) 11.027 2.083 ( -3.618 8.274 2.308) 9.321 2.100 ( -9.920 8.690 1.386) 13.260 2.171 ( -11.082 5.362 -4.514) 13.113 2.310 ( -11.216 9.874 2.961) 15.233 2.395 ( -3.858 9.719 -2.263) 10.698 2.589 ( 2.268 10.733 2.790) 11.319 2.644 ( -5.150 3.384 -3.365) 7.022 2.754 ( -0.804 8.546 -0.605) 8.605 2.800 ( -1.356 9.407 1.220) 9.582 2.853 ( 1.315 11.590 -2.403) 11.909 2.899 ( -1.669 11.462 -0.500) 11.594 2.992 ( -12.465 10.941 -4.680) 17.233 3.065 ( 8.388 5.078 10.678) 14.497 3.122 ( 0.615 12.241 -1.253) 12.320 3.213 ( 15.254 13.358 -11.835) 23.477 3.327 ( 1.763 4.301 -3.267) 5.681 3.407 ( 15.408 3.181 -3.865) 16.201 3.816 ( 8.208 4.634 10.388) 14.027 3.964 ( 7.959 -0.473 11.591) 14.068 4.102 ( 1.099 -0.350 -1.079) 1.579 4.174 ( -28.309 0.622 -7.456) 29.281 4.431 ( -9.606 -2.539 6.907) 12.101 4.605 ( 4.183 -1.751 -0.070) 4.535 4.652 ( -8.033 -3.108 3.348) 9.241 4.859 ( -13.746 -2.551 -8.799) 16.519 4.977 ( -0.599 -3.155 5.921) 6.736 5.110 ( -4.546 -3.649 -10.353) 11.881 5.255 ( 2.882 -3.407 3.235) 5.512 5.321 ( -3.471 -4.471 0.453) 5.678 5.344 ( 0.171 -3.485 0.424) 3.515 5.528 ( -0.665 -4.587 -0.003) 4.635 5.684 ( -1.217 -7.465 -3.686) 8.413 5.960 ( 6.862 -2.731 2.835) 7.910 6.016 ( 3.864 -2.169 1.863) 4.806 6.197 ( 3.597 1.407 -2.413) 4.554 6.282 ( 0.153 10.209 0.064) 10.211 6.296 ( -0.758 5.984 0.574) 6.059 6.391 ( 2.334 -0.095 0.110) 2.338 6.439 ( 0.743 0.256 4.961) 5.023 6.472 ( 0.325 3.334 -0.036) 3.350 6.535 ( 3.803 -3.703 -2.848) 6.024 6.574 ( -0.057 5.383 4.030) 6.724 6.620 ( 0.604 4.509 0.557) 4.583 6.689 ( 1.955 2.243 -0.659) 3.047 6.692 ( 1.663 -0.422 -2.814) 3.295 6.754 ( 4.222 -1.103 -0.508) 4.393 6.774 ( 0.844 -1.150 -0.225) 1.445 6.817 ( 1.632 4.170 0.514) 4.507 6.962 ( -0.901 2.778 2.227) 3.672 6.997 ( 0.942 -3.027 -2.024) 3.762 7.029 ( 1.247 1.268 1.506) 2.330 7.047 ( -0.229 1.209 -0.427) 1.302 7.084 ( -0.086 4.674 0.812) 4.744 7.114 ( -2.264 4.525 -0.384) 5.075 7.220 ( 2.311 0.612 -3.071) 3.892 7.312 ( -0.109 6.316 0.230) 6.321 7.374 ( 0.695 2.716 -0.075) 2.805 7.439 ( 0.401 3.264 -9.365) 9.925 7.459 ( -1.410 1.296 6.182) 6.472 7.604 ( 1.147 6.302 -2.019) 6.716 7.637 ( 0.352 1.221 -0.080) 1.273 7.672 ( -0.632 2.011 -0.203) 2.118 7.784 ( -0.829 -1.161 -0.286) 1.455 7.809 ( -1.474 0.107 3.961) 4.228 7.924 ( -0.427 3.144 -7.506) 8.149 8.245 ( -6.607 4.901 -2.770) 8.680 8.268 ( 1.356 1.632 9.891) 10.116 8.436 ( 0.271 0.962 -3.036) 3.196 8.532 ( -8.486 1.009 0.960) 8.600 8.692 ( -0.144 -2.158 -2.532) 3.330 8.779 ( -0.022 -3.306 -2.374) 4.070 8.963 ( -1.441 0.673 6.927) 7.107 9.151 ( -3.860 -0.812 4.462) 5.955 9.333 ( 2.244 -1.537 -14.855) 15.102 9.456 ( -5.291 -2.816 -1.135) 6.101 9.591 ( -0.499 -3.409 1.031) 3.596 9.754 ( 0.943 -4.918 -0.911) 5.090 9.813 ( 8.222 -7.389 -2.077) 11.248 9.887 ( 2.858 -3.235 0.448) 4.340 10.235 ( 4.108 -17.498 6.331) 19.057 10.400 ( -2.666 -6.581 6.952) 9.937 10.691 ( -2.566 -4.191 -1.106) 5.037 ======================= Grid point 7 (6/56) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -10.671 11.715 -0.438) 15.853 0.982 ( 10.989 7.287 -4.997) 14.101 1.219 ( 19.824 16.936 0.914) 26.090 1.484 ( -9.671 5.468 6.865) 13.060 1.628 ( 4.264 7.497 -5.594) 10.280 1.638 ( 4.116 11.767 -3.156) 12.860 1.752 ( -15.065 14.326 1.828) 20.869 1.819 ( -8.109 8.265 -1.129) 11.634 1.946 ( -0.180 19.737 7.688) 21.182 2.024 ( -3.161 8.175 1.476) 8.888 2.138 ( -1.161 13.484 -0.967) 13.568 2.242 ( -6.700 8.412 -3.385) 11.274 2.329 ( 16.102 14.314 2.240) 21.661 2.517 ( 5.910 5.872 3.181) 8.918 2.676 ( 2.921 7.125 -0.775) 7.739 2.689 ( 0.145 2.550 -2.831) 3.813 2.755 ( -0.606 8.878 -1.061) 8.961 2.826 ( 0.404 9.326 0.957) 9.384 2.888 ( -0.654 13.306 -0.343) 13.326 2.941 ( 2.333 12.996 1.007) 13.242 3.140 ( -1.231 9.791 0.040) 9.868 3.254 ( -8.302 3.644 -1.237) 9.151 3.358 ( 3.216 1.498 4.806) 5.974 3.477 ( -15.822 4.232 -0.901) 16.403 3.574 ( 21.983 10.853 -21.154) 32.382 3.621 ( -1.820 2.525 -3.794) 4.907 3.954 ( -3.895 0.618 3.207) 5.084 4.024 ( -1.699 2.779 11.069) 11.538 4.123 ( -1.363 0.837 18.968) 19.036 4.277 ( -2.069 -4.508 -3.112) 5.856 4.454 ( -8.170 -0.675 1.108) 8.273 4.560 ( -8.908 0.980 -9.462) 13.033 4.813 ( 8.534 -2.511 0.834) 8.935 4.964 ( -1.890 -1.807 -1.381) 2.957 5.047 ( 0.541 -3.657 -3.763) 5.275 5.212 ( -4.355 -5.261 3.094) 7.499 5.339 ( 1.304 -3.546 -1.447) 4.046 5.359 ( 2.432 -0.282 3.400) 4.190 5.476 ( -3.245 -2.309 -3.095) 5.043 5.627 ( -2.703 -6.184 -1.168) 6.849 6.054 ( 1.485 -0.075 -0.157) 1.495 6.075 ( 1.761 5.321 0.765) 5.657 6.273 ( 2.988 2.580 0.303) 3.959 6.305 ( 3.866 0.047 -2.306) 4.502 6.332 ( 1.110 2.777 0.449) 3.024 6.375 ( -2.822 -3.571 4.177) 6.178 6.478 ( 1.056 6.467 -0.587) 6.579 6.499 ( 1.006 3.669 -0.007) 3.805 6.524 ( -0.784 3.516 -0.787) 3.687 6.558 ( -1.742 7.939 1.553) 8.275 6.676 ( 1.720 1.391 2.864) 3.619 6.701 ( 0.091 -0.676 -1.810) 1.935 6.753 ( 2.828 -3.205 0.023) 4.274 6.772 ( 0.680 -0.890 -2.429) 2.675 6.836 ( 0.313 2.652 -0.038) 2.671 6.861 ( 3.619 -4.529 1.222) 5.924 6.969 ( 0.651 3.446 -0.344) 3.524 7.001 ( 0.103 2.630 -0.498) 2.678 7.035 ( 0.492 1.896 -1.320) 2.362 7.058 ( -0.224 2.477 1.387) 2.848 7.085 ( -0.595 5.077 -0.409) 5.129 7.097 ( 1.316 3.228 -0.607) 3.539 7.270 ( 1.755 0.931 -0.760) 2.127 7.278 ( -3.007 -0.824 1.515) 3.467 7.325 ( -1.458 3.604 -0.560) 3.928 7.412 ( -0.265 1.654 -1.190) 2.055 7.535 ( 1.962 1.023 -2.315) 3.202 7.626 ( 2.656 1.695 0.698) 3.227 7.652 ( -0.392 2.019 0.782) 2.201 7.674 ( 3.170 4.338 0.066) 5.373 7.758 ( -1.665 0.241 -2.407) 2.937 7.812 ( -0.386 -0.081 3.373) 3.396 7.907 ( -1.838 -1.377 -2.523) 3.412 8.126 ( -1.143 2.348 1.445) 2.984 8.340 ( -5.924 2.773 -1.976) 6.833 8.397 ( 3.163 -0.008 7.098) 7.771 8.479 ( 2.628 -0.515 -0.061) 2.678 8.627 ( -4.552 0.105 -4.952) 6.727 8.768 ( 0.176 -2.616 -0.230) 2.632 9.006 ( 2.040 -1.183 3.013) 3.826 9.100 ( -1.297 -1.828 -0.154) 2.246 9.346 ( -3.397 -2.335 -2.610) 4.879 9.363 ( 0.904 -4.458 -1.035) 4.665 9.605 ( 0.775 -3.242 0.433) 3.361 9.762 ( 0.217 -4.187 -0.374) 4.210 9.911 ( 1.487 -4.125 0.575) 4.423 10.010 ( 8.404 -8.533 1.350) 12.053 10.169 ( -6.229 -10.341 -3.956) 12.704 10.388 ( -1.465 -8.365 5.075) 9.893 10.637 ( -1.770 -4.420 -0.643) 4.805 ======================= Grid point 10 (7/56) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 0.000 26.171 0.000) 26.171 1.123 ( 0.000 25.780 0.000) 25.780 1.466 ( 0.000 4.114 0.000) 4.114 1.483 ( 0.000 7.366 0.000) 7.366 1.805 ( 0.000 11.619 0.000) 11.619 1.941 ( 0.000 17.880 0.000) 17.880 1.964 ( 0.000 4.102 0.000) 4.102 1.983 ( 0.000 47.677 0.000) 47.677 2.345 ( 0.000 11.077 0.000) 11.077 2.396 ( 0.000 7.302 0.000) 7.302 2.443 ( 0.000 12.569 0.000) 12.569 2.555 ( 0.000 8.310 0.000) 8.310 2.750 ( 0.000 7.558 0.000) 7.558 2.800 ( 0.000 12.536 0.000) 12.536 2.858 ( 0.000 9.403 0.000) 9.403 2.879 ( 0.000 3.993 0.000) 3.993 3.050 ( 0.000 5.792 0.000) 5.792 3.124 ( 0.000 16.952 0.000) 16.952 3.200 ( 0.000 25.602 0.000) 25.602 3.222 ( 0.000 20.570 0.000) 20.570 3.228 ( 0.000 4.234 0.000) 4.234 3.460 ( 0.000 19.682 0.000) 19.682 3.488 ( 0.000 15.758 0.000) 15.758 3.492 ( 0.000 9.769 0.000) 9.769 3.558 ( 0.000 24.427 0.000) 24.427 3.775 ( 0.000 5.175 0.000) 5.175 3.860 ( 0.000 12.149 0.000) 12.149 4.133 ( 0.000 6.020 0.000) 6.020 4.395 ( 0.000 -2.814 0.000) 2.814 4.477 ( 0.000 -7.301 0.000) 7.301 4.532 ( 0.000 2.169 0.000) 2.169 4.705 ( 0.000 -6.210 0.000) 6.210 4.927 ( 0.000 -6.167 0.000) 6.167 4.933 ( 0.000 -5.776 0.000) 5.776 5.038 ( 0.000 -2.796 0.000) 2.796 5.085 ( 0.000 -7.022 0.000) 7.022 5.277 ( 0.000 -0.436 0.000) 0.436 5.316 ( 0.000 -2.787 0.000) 2.787 5.428 ( 0.000 -5.139 0.000) 5.139 5.504 ( 0.000 -9.563 0.000) 9.563 5.826 ( 0.000 -1.737 0.000) 1.737 5.898 ( 0.000 -1.698 0.000) 1.698 6.112 ( 0.000 -6.653 0.000) 6.653 6.260 ( 0.000 -7.562 0.000) 7.562 6.366 ( 0.000 3.071 0.000) 3.071 6.379 ( 0.000 -5.642 0.000) 5.642 6.417 ( 0.000 0.736 0.000) 0.736 6.455 ( 0.000 4.613 0.000) 4.613 6.572 ( 0.000 -4.018 0.000) 4.018 6.585 ( 0.000 3.494 0.000) 3.494 6.664 ( 0.000 2.544 0.000) 2.544 6.692 ( 0.000 5.797 0.000) 5.797 6.735 ( 0.000 1.236 0.000) 1.236 6.756 ( 0.000 4.048 0.000) 4.048 6.765 ( 0.000 1.065 0.000) 1.065 6.870 ( 0.000 -3.495 0.000) 3.495 6.993 ( 0.000 8.752 0.000) 8.752 7.002 ( 0.000 2.049 0.000) 2.049 7.020 ( 0.000 2.495 0.000) 2.495 7.111 ( 0.000 2.868 0.000) 2.868 7.179 ( 0.000 4.902 0.000) 4.902 7.269 ( 0.000 6.157 0.000) 6.157 7.290 ( 0.000 5.241 0.000) 5.241 7.290 ( 0.000 0.645 0.000) 0.645 7.516 ( 0.000 1.777 0.000) 1.777 7.541 ( 0.000 2.442 0.000) 2.442 7.547 ( 0.000 9.615 0.000) 9.615 7.615 ( 0.000 0.517 0.000) 0.517 7.664 ( 0.000 0.820 0.000) 0.820 7.736 ( 0.000 3.057 0.000) 3.057 7.767 ( 0.000 -2.217 0.000) 2.217 7.820 ( 0.000 1.559 0.000) 1.559 7.953 ( 0.000 -1.553 0.000) 1.553 8.281 ( 0.000 4.373 0.000) 4.373 8.383 ( 0.000 -1.806 0.000) 1.806 8.490 ( 0.000 -0.161 0.000) 0.161 8.577 ( 0.000 -2.639 0.000) 2.639 8.634 ( 0.000 -4.587 0.000) 4.587 8.681 ( 0.000 -4.542 0.000) 4.542 8.982 ( 0.000 -1.937 0.000) 1.937 9.084 ( 0.000 -4.601 0.000) 4.601 9.405 ( 0.000 -7.265 0.000) 7.265 9.463 ( 0.000 -6.507 0.000) 6.507 9.513 ( 0.000 -6.915 0.000) 6.915 9.528 ( 0.000 -9.683 0.000) 9.683 9.661 ( 0.000 -6.586 0.000) 6.586 9.779 ( 0.000 -4.928 0.000) 4.928 9.799 ( 0.000 -3.642 0.000) 3.642 10.323 ( 0.000 -6.556 0.000) 6.556 10.616 ( 0.000 -6.390 0.000) 6.390 ======================= Grid point 11 (8/56) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 8.996 22.052 0.851) 23.832 1.205 ( 3.716 16.734 2.395) 17.308 1.295 ( -5.356 17.615 -1.710) 18.491 1.564 ( 4.988 6.288 -0.796) 8.066 1.824 ( -11.226 7.321 3.528) 13.859 1.857 ( 7.354 10.753 -14.736) 19.669 2.075 ( 7.056 14.739 8.459) 18.401 2.191 ( 7.466 24.726 1.197) 25.856 2.280 ( -0.855 18.011 -2.692) 18.231 2.328 ( -1.157 17.261 -0.989) 17.328 2.365 ( -8.070 12.584 4.103) 15.502 2.512 ( -7.325 11.956 4.740) 14.801 2.639 ( -2.616 8.893 4.924) 10.497 2.757 ( -6.996 9.406 -0.680) 11.742 2.829 ( 0.586 11.275 -0.899) 11.326 2.866 ( -4.879 6.195 -2.459) 8.260 2.996 ( -2.338 5.355 -3.332) 6.727 3.123 ( -1.640 18.070 -3.134) 18.413 3.169 ( 1.065 12.290 0.255) 12.339 3.256 ( 3.746 16.696 4.808) 17.774 3.331 ( -3.609 18.350 -0.608) 18.712 3.436 ( 1.913 13.886 6.610) 15.497 3.475 ( -0.022 19.887 -1.396) 19.936 3.526 ( 6.964 14.721 -6.108) 17.393 3.588 ( 12.219 19.134 -18.118) 29.046 3.933 ( 3.603 6.110 6.460) 9.594 3.945 ( 7.246 -1.083 7.452) 10.451 4.151 ( -2.037 6.639 6.412) 9.452 4.207 ( -17.376 4.045 -6.258) 18.906 4.381 ( -9.644 -2.102 6.703) 11.931 4.564 ( 4.318 -2.253 2.713) 5.575 4.593 ( -6.254 -2.419 -0.298) 6.712 4.802 ( -7.971 -3.055 -5.876) 10.363 4.910 ( -0.709 -2.829 3.693) 4.706 5.024 ( -3.483 -4.531 -6.113) 8.368 5.151 ( 1.813 -7.392 3.048) 8.199 5.263 ( -0.511 -1.814 -4.653) 5.020 5.296 ( 1.312 -0.613 1.952) 2.430 5.430 ( -0.428 -4.890 0.766) 4.968 5.536 ( 1.684 -7.461 -3.506) 8.414 5.900 ( 5.777 -3.180 3.339) 7.392 5.963 ( 5.020 -2.810 1.278) 5.893 6.134 ( 2.950 -6.040 -2.077) 7.036 6.308 ( 1.568 -6.283 0.960) 6.546 6.364 ( -1.746 -3.744 2.299) 4.727 6.378 ( 1.698 -1.564 -2.267) 3.236 6.453 ( 4.446 1.731 -0.765) 4.833 6.500 ( 3.933 3.752 1.226) 5.572 6.563 ( -0.731 -1.115 -0.298) 1.366 6.635 ( 1.666 3.992 -2.319) 4.908 6.647 ( 0.523 -1.098 -0.025) 1.217 6.714 ( 0.649 1.340 -0.224) 1.506 6.715 ( 1.071 2.653 3.521) 4.537 6.782 ( 2.638 3.704 -0.216) 4.552 6.808 ( 1.186 4.718 -0.961) 4.959 6.902 ( 2.550 -1.355 -1.034) 3.068 6.948 ( -0.369 3.501 0.947) 3.645 6.998 ( -0.133 0.597 1.495) 1.615 7.074 ( 1.271 4.431 1.271) 4.782 7.103 ( 0.327 3.529 -0.166) 3.548 7.178 ( 0.094 4.268 -1.458) 4.511 7.231 ( -0.976 7.278 -0.690) 7.376 7.281 ( 0.461 4.896 -0.726) 4.971 7.394 ( 0.337 0.734 -1.071) 1.341 7.409 ( -1.522 2.018 0.359) 2.553 7.516 ( -1.282 3.723 -2.640) 4.740 7.537 ( -1.438 6.757 2.516) 7.352 7.647 ( -1.689 0.025 -0.113) 1.693 7.705 ( 4.175 1.746 -0.628) 4.568 7.720 ( -1.134 3.032 0.252) 3.247 7.758 ( 0.011 -0.705 -0.974) 1.203 7.823 ( -0.467 1.854 3.700) 4.165 7.938 ( -0.536 -0.037 -4.654) 4.684 8.291 ( -5.429 -0.442 4.076) 6.803 8.319 ( -0.162 3.260 1.768) 3.711 8.452 ( -0.566 0.160 -1.581) 1.687 8.545 ( -6.384 -0.139 0.846) 6.442 8.634 ( 2.795 -3.323 -1.895) 4.737 8.698 ( 0.346 -4.481 -3.754) 5.856 8.956 ( -0.992 -1.207 3.758) 4.070 9.104 ( -1.719 -4.204 6.755) 8.140 9.295 ( -4.462 -2.503 -13.056) 14.023 9.378 ( -5.543 -5.206 0.585) 7.627 9.502 ( 1.259 -5.976 0.962) 6.182 9.618 ( 4.499 -9.792 0.489) 10.788 9.629 ( 2.581 -9.192 -6.354) 11.469 9.814 ( 1.428 -4.151 0.280) 4.399 9.921 ( 3.389 -14.139 9.660) 17.456 10.278 ( -3.675 -6.379 0.879) 7.414 10.586 ( -2.568 -6.301 -0.781) 6.849 ======================= Grid point 12 (9/56) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -5.300 18.890 -0.731) 19.633 1.213 ( 4.218 15.935 0.685) 16.498 1.527 ( 16.694 14.859 0.267) 22.351 1.654 ( -3.097 9.813 3.566) 10.890 1.671 ( 3.515 6.361 -2.045) 7.550 1.950 ( -4.298 12.537 -7.060) 15.016 2.017 ( -1.127 14.020 -3.952) 14.610 2.062 ( -10.818 13.150 0.921) 17.053 2.190 ( -5.686 10.123 3.009) 11.994 2.249 ( -1.090 11.418 0.309) 11.474 2.408 ( 0.869 13.521 9.115) 16.329 2.553 ( -5.369 15.591 4.075) 16.986 2.618 ( -5.359 15.682 -4.461) 17.162 2.740 ( 2.922 8.343 -1.480) 8.963 2.832 ( 3.214 8.336 1.212) 9.017 2.875 ( 21.753 22.404 -0.646) 31.234 2.953 ( -0.652 9.492 -1.440) 9.623 3.099 ( -0.092 18.206 -0.937) 18.230 3.196 ( 1.108 11.137 -0.754) 11.218 3.299 ( -0.913 24.276 1.747) 24.356 3.332 ( 0.213 5.606 3.617) 6.675 3.407 ( -5.262 16.803 0.523) 17.615 3.479 ( -0.253 17.120 0.348) 17.125 3.647 ( -17.477 13.735 -4.449) 22.669 3.693 ( -0.149 5.775 -4.313) 7.210 3.836 ( 16.358 14.042 -17.296) 27.639 3.973 ( 3.990 1.585 -0.522) 4.325 4.098 ( 0.306 -2.320 12.296) 12.516 4.148 ( -11.505 7.693 12.582) 18.705 4.227 ( -2.979 2.319 -0.913) 3.884 4.460 ( -1.263 2.437 8.504) 8.936 4.599 ( -7.619 3.092 -10.252) 13.142 4.743 ( 6.185 -4.474 1.135) 7.718 4.926 ( 1.336 -2.028 -0.026) 2.429 4.961 ( -0.566 -4.469 -4.167) 6.136 5.092 ( -5.178 -6.708 2.276) 8.775 5.272 ( 0.221 -2.843 -1.289) 3.129 5.364 ( 4.234 0.341 2.143) 4.758 5.426 ( -0.093 -2.656 0.541) 2.712 5.511 ( -2.467 -4.900 -4.070) 6.830 6.015 ( 3.589 -3.584 0.382) 5.087 6.055 ( 3.067 -4.365 1.805) 5.632 6.197 ( 3.806 -5.777 -3.179) 7.614 6.273 ( -4.799 -5.134 4.656) 8.430 6.355 ( 0.950 -2.717 -1.538) 3.264 6.422 ( 1.529 0.736 0.132) 1.702 6.522 ( 0.985 -2.412 -1.711) 3.117 6.570 ( 2.048 2.438 2.134) 3.833 6.583 ( 2.837 -2.077 -0.097) 3.518 6.609 ( -0.896 2.385 -0.608) 2.619 6.688 ( 1.441 1.250 -0.942) 2.128 6.726 ( -0.491 0.922 0.505) 1.160 6.732 ( 0.014 2.249 0.650) 2.341 6.809 ( 0.216 4.754 -1.289) 4.930 6.838 ( 2.162 4.744 -0.030) 5.214 6.903 ( -0.817 3.491 0.462) 3.615 7.016 ( 2.246 -1.671 3.308) 4.333 7.035 ( 4.359 0.717 0.404) 4.436 7.066 ( -0.851 1.436 -2.155) 2.726 7.110 ( -1.281 4.224 0.060) 4.414 7.189 ( 1.612 4.012 -0.894) 4.415 7.232 ( 0.615 8.817 0.194) 8.841 7.265 ( -3.312 1.065 0.316) 3.494 7.314 ( 0.300 5.894 -1.760) 6.158 7.438 ( -0.567 5.166 0.404) 5.213 7.463 ( -3.530 3.474 1.548) 5.189 7.546 ( 0.326 0.270 -3.006) 3.036 7.650 ( 3.234 0.918 0.197) 3.367 7.698 ( -1.527 2.620 1.550) 3.406 7.721 ( -0.244 0.166 -0.888) 0.936 7.799 ( 2.282 1.319 -1.187) 2.891 7.828 ( 0.608 3.075 4.983) 5.887 7.897 ( -2.798 1.681 -5.067) 6.028 8.160 ( -4.117 0.645 0.462) 4.193 8.388 ( 1.421 1.058 6.378) 6.619 8.422 ( -2.272 2.954 -3.518) 5.125 8.464 ( 0.198 -0.969 1.340) 1.665 8.625 ( -1.953 -0.572 -4.051) 4.533 8.707 ( 1.176 -3.216 -0.192) 3.429 8.976 ( 0.812 -1.894 4.512) 4.961 9.054 ( -2.179 -2.741 -1.149) 3.686 9.243 ( 0.477 -6.868 -5.903) 9.069 9.292 ( -3.087 -3.641 2.712) 5.490 9.524 ( 0.554 -4.749 -0.121) 4.783 9.644 ( 0.908 -8.025 -0.379) 8.085 9.738 ( 4.888 -14.317 -0.841) 15.152 9.848 ( 2.208 -6.792 -0.268) 7.147 9.918 ( -4.158 -13.698 2.242) 14.490 10.228 ( -1.331 -7.625 1.249) 7.840 10.533 ( -1.835 -6.044 -0.451) 6.333 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.000 23.992 0.000) 23.992 1.496 ( 0.000 14.370 0.000) 14.370 1.635 ( 0.000 12.314 0.000) 12.314 1.777 ( 0.000 21.772 0.000) 21.772 2.080 ( 0.000 11.387 0.000) 11.387 2.104 ( 0.000 14.171 0.000) 14.171 2.277 ( 0.000 16.558 0.000) 16.558 2.492 ( 0.000 8.000 0.000) 8.000 2.551 ( 0.000 8.904 0.000) 8.904 2.597 ( 0.000 6.185 0.000) 6.185 2.735 ( 0.000 13.340 0.000) 13.340 2.833 ( 0.000 2.882 0.000) 2.882 2.910 ( 0.000 5.794 0.000) 5.794 2.929 ( 0.000 24.971 0.000) 24.971 3.028 ( 0.000 6.575 0.000) 6.575 3.030 ( 0.000 16.001 0.000) 16.001 3.149 ( 0.000 6.041 0.000) 6.041 3.326 ( 0.000 6.063 0.000) 6.063 3.415 ( 0.000 11.964 0.000) 11.964 3.585 ( 0.000 16.903 0.000) 16.903 3.631 ( 0.000 5.385 0.000) 5.385 3.682 ( 0.000 7.384 0.000) 7.384 3.733 ( 0.000 8.037 0.000) 8.037 3.762 ( 0.000 21.167 0.000) 21.167 3.935 ( 0.000 16.570 0.000) 16.570 4.153 ( 0.000 19.122 0.000) 19.122 4.168 ( 0.000 27.144 0.000) 27.144 4.302 ( 0.000 -5.721 0.000) 5.721 4.356 ( 0.000 12.904 0.000) 12.904 4.430 ( 0.000 5.889 0.000) 5.889 4.561 ( 0.000 -5.976 0.000) 5.976 4.601 ( 0.000 2.884 0.000) 2.884 4.805 ( 0.000 -6.043 0.000) 6.043 4.863 ( 0.000 0.194 0.000) 0.194 5.006 ( 0.000 0.083 0.000) 0.083 5.006 ( 0.000 0.145 0.000) 0.145 5.248 ( 0.000 -1.380 0.000) 1.380 5.314 ( 0.000 -7.234 0.000) 7.234 5.351 ( 0.000 -5.024 0.000) 5.024 5.362 ( 0.000 7.044 0.000) 7.044 5.800 ( 0.000 -0.805 0.000) 0.805 5.876 ( 0.000 -0.871 0.000) 0.871 5.977 ( 0.000 -6.642 0.000) 6.642 6.096 ( 0.000 -9.056 0.000) 9.056 6.234 ( 0.000 -7.720 0.000) 7.720 6.334 ( 0.000 -3.292 0.000) 3.292 6.495 ( 0.000 -3.653 0.000) 3.653 6.504 ( 0.000 -4.968 0.000) 4.968 6.513 ( 0.000 4.614 0.000) 4.614 6.552 ( 0.000 3.840 0.000) 3.840 6.696 ( 0.000 -1.554 0.000) 1.554 6.720 ( 0.000 -3.026 0.000) 3.026 6.787 ( 0.000 1.064 0.000) 1.064 6.808 ( 0.000 3.777 0.000) 3.777 6.848 ( 0.000 7.321 0.000) 7.321 6.892 ( 0.000 3.188 0.000) 3.188 7.020 ( 0.000 1.333 0.000) 1.333 7.081 ( 0.000 3.761 0.000) 3.761 7.150 ( 0.000 1.012 0.000) 1.012 7.152 ( 0.000 6.027 0.000) 6.027 7.281 ( 0.000 5.803 0.000) 5.803 7.300 ( 0.000 0.708 0.000) 0.708 7.375 ( 0.000 3.894 0.000) 3.894 7.392 ( 0.000 4.405 0.000) 4.405 7.536 ( 0.000 0.659 0.000) 0.659 7.542 ( 0.000 -2.578 0.000) 2.578 7.614 ( 0.000 0.438 0.000) 0.438 7.649 ( 0.000 -2.236 0.000) 2.236 7.708 ( 0.000 5.631 0.000) 5.631 7.749 ( 0.000 0.505 0.000) 0.505 7.794 ( 0.000 3.385 0.000) 3.385 7.851 ( 0.000 0.951 0.000) 0.951 7.960 ( 0.000 2.620 0.000) 2.620 8.318 ( 0.000 -5.072 0.000) 5.072 8.349 ( 0.000 1.657 0.000) 1.657 8.427 ( 0.000 -5.599 0.000) 5.599 8.522 ( 0.000 -3.049 0.000) 3.049 8.556 ( 0.000 -2.900 0.000) 2.900 8.636 ( 0.000 0.228 0.000) 0.228 8.948 ( 0.000 -1.674 0.000) 1.674 8.988 ( 0.000 -5.143 0.000) 5.143 9.229 ( 0.000 -10.695 0.000) 10.695 9.327 ( 0.000 -7.289 0.000) 7.289 9.358 ( 0.000 -8.833 0.000) 8.833 9.360 ( 0.000 -7.075 0.000) 7.075 9.549 ( 0.000 -4.462 0.000) 4.462 9.655 ( 0.000 -7.689 0.000) 7.689 9.734 ( 0.000 -3.192 0.000) 3.192 10.200 ( 0.000 -5.857 0.000) 5.857 10.484 ( 0.000 -7.033 0.000) 7.033 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -1.783 14.941 -0.421) 15.053 1.502 ( 4.219 21.846 1.977) 22.337 1.636 ( 1.869 13.486 -0.865) 13.642 1.806 ( 2.740 19.094 -2.211) 19.416 1.999 ( -6.774 10.914 0.466) 12.854 2.108 ( 3.894 15.525 -6.039) 17.107 2.357 ( 4.853 13.156 -0.326) 14.026 2.425 ( -6.543 12.168 0.533) 13.826 2.518 ( -2.568 8.531 -1.558) 9.044 2.565 ( -9.507 8.282 5.605) 13.798 2.690 ( -6.495 9.230 5.356) 12.493 2.746 ( 0.314 4.887 3.735) 6.159 2.858 ( -4.762 2.964 2.118) 5.996 2.951 ( 0.171 9.500 1.925) 9.694 3.014 ( -1.897 10.929 -2.354) 11.340 3.089 ( 0.867 11.787 -4.009) 12.480 3.113 ( 3.749 19.675 -2.266) 20.157 3.332 ( 0.091 7.550 0.397) 7.561 3.429 ( 0.897 13.422 0.443) 13.459 3.496 ( -4.005 5.773 -3.685) 7.934 3.710 ( 8.386 8.407 -6.288) 13.436 3.729 ( 1.682 18.119 -4.842) 18.830 3.765 ( 2.284 13.022 8.235) 15.575 3.820 ( 3.065 10.149 2.712) 10.943 3.964 ( 2.920 11.373 0.694) 11.762 4.106 ( -2.670 19.641 -6.217) 20.774 4.134 ( -2.901 19.708 -3.317) 20.195 4.258 ( -5.281 7.031 1.924) 9.002 4.359 ( -3.899 6.708 2.817) 8.255 4.440 ( 3.326 11.908 6.068) 13.772 4.549 ( -2.223 -2.405 0.698) 3.349 4.569 ( -0.959 3.561 2.674) 4.555 4.762 ( -2.502 -0.631 -0.037) 2.580 4.885 ( 0.165 0.128 0.087) 0.226 4.975 ( -2.828 -0.668 -1.900) 3.472 5.004 ( 0.300 -3.397 -0.916) 3.531 5.234 ( -0.167 -0.560 -1.175) 1.312 5.333 ( 0.000 1.657 -1.975) 2.578 5.355 ( 3.168 -2.182 0.957) 3.964 5.411 ( 2.770 -3.496 -1.075) 4.588 5.847 ( 3.838 -1.989 2.230) 4.864 5.913 ( 2.976 -2.300 0.490) 3.793 6.010 ( 3.072 -6.198 0.338) 6.926 6.142 ( 4.017 -9.235 -0.774) 10.100 6.233 ( -0.336 -7.796 -2.877) 8.317 6.321 ( -0.444 -2.905 2.112) 3.619 6.479 ( -1.523 -4.902 -1.406) 5.322 6.530 ( 0.624 0.326 -0.139) 0.717 6.570 ( 5.211 0.572 -0.277) 5.249 6.580 ( 2.612 2.470 2.375) 4.309 6.657 ( -0.595 -1.443 -0.252) 1.582 6.738 ( 0.317 -0.494 -0.513) 0.780 6.796 ( 1.782 1.212 -0.028) 2.155 6.854 ( 1.979 2.846 -0.533) 3.508 6.875 ( 2.694 2.656 0.977) 3.908 6.898 ( 1.150 3.434 -1.129) 3.793 7.003 ( -1.600 0.995 1.415) 2.356 7.048 ( -2.660 4.702 0.944) 5.484 7.117 ( -2.655 0.238 -0.182) 2.671 7.203 ( 3.031 5.490 0.172) 6.273 7.267 ( -0.201 4.838 -2.199) 5.318 7.329 ( 0.063 1.925 -0.059) 1.926 7.375 ( 0.060 4.527 1.733) 4.848 7.427 ( 4.225 1.840 -1.183) 4.757 7.451 ( -1.087 3.459 -0.233) 3.634 7.562 ( -3.911 -0.040 1.661) 4.249 7.590 ( -3.157 -1.051 -1.307) 3.574 7.670 ( 0.380 -0.781 -2.890) 3.017 7.684 ( 1.766 1.345 2.398) 3.268 7.764 ( -0.558 1.720 1.046) 2.089 7.805 ( 1.797 4.686 -0.846) 5.090 7.873 ( 1.121 2.435 3.672) 4.546 7.959 ( 0.862 2.208 -5.242) 5.753 8.242 ( -5.495 -4.194 0.366) 6.922 8.374 ( -0.599 1.629 2.864) 3.349 8.420 ( 0.925 -3.797 2.015) 4.397 8.507 ( -1.488 -2.990 0.140) 3.342 8.587 ( 2.806 -2.153 -2.674) 4.434 8.639 ( 0.178 -0.612 -2.213) 2.303 8.928 ( -0.814 -1.568 1.624) 2.400 9.003 ( -0.354 -5.656 4.236) 7.076 9.213 ( -1.075 -7.121 -1.481) 7.353 9.269 ( -6.531 -5.189 -5.503) 9.993 9.337 ( 2.517 -9.913 0.968) 10.274 9.433 ( 3.838 -8.944 -0.146) 9.734 9.492 ( -1.844 -4.773 -7.191) 8.825 9.674 ( -1.599 -10.910 7.768) 13.487 9.740 ( 0.588 -4.058 1.358) 4.320 10.162 ( -3.373 -5.429 0.361) 6.402 10.458 ( -2.262 -6.798 -0.620) 7.191 ======================= Grid point 17 (12/56) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -1.192 17.935 -0.459) 17.981 1.555 ( 0.001 18.267 2.343) 18.416 1.729 ( 4.449 7.770 -2.655) 9.339 1.861 ( 5.338 14.598 -0.357) 15.548 1.936 ( 0.384 15.717 0.875) 15.746 2.210 ( 2.035 14.866 -4.417) 15.641 2.270 ( -1.335 13.087 -0.963) 13.190 2.294 ( -9.554 10.872 -1.160) 14.520 2.402 ( -6.984 11.052 -0.169) 13.075 2.464 ( -1.587 10.865 0.875) 11.015 2.634 ( -0.556 9.999 10.334) 14.390 2.706 ( -4.634 4.816 0.897) 6.744 2.844 ( 1.651 4.222 0.765) 4.597 2.931 ( -1.627 9.662 0.591) 9.815 2.969 ( -0.522 6.512 -3.775) 7.546 3.085 ( 1.108 5.098 -2.541) 5.803 3.212 ( 2.008 7.299 3.529) 8.353 3.302 ( -2.268 2.286 -5.119) 6.047 3.436 ( -0.419 12.518 -1.400) 12.603 3.541 ( 9.678 20.464 3.753) 22.946 3.752 ( -0.566 16.510 2.092) 16.652 3.813 ( 0.382 16.931 2.512) 17.121 3.845 ( 0.241 7.931 -0.595) 7.957 3.875 ( 9.072 11.415 -8.576) 16.916 3.967 ( -5.967 11.714 -1.244) 13.205 4.017 ( -6.134 19.746 0.759) 20.691 4.030 ( -3.132 9.822 0.365) 10.316 4.220 ( 3.835 14.614 3.388) 15.484 4.317 ( -0.181 12.736 -8.500) 15.313 4.403 ( -5.987 13.614 3.686) 15.323 4.547 ( 0.830 1.852 7.988) 8.242 4.648 ( 4.041 1.857 4.348) 6.220 4.702 ( -1.982 3.443 -4.287) 5.845 4.875 ( -1.132 -1.812 3.134) 3.793 4.898 ( -2.780 -1.877 -5.443) 6.394 5.013 ( 0.382 0.935 0.171) 1.024 5.241 ( 0.525 0.041 0.163) 0.552 5.332 ( 0.167 -3.823 -0.545) 3.865 5.409 ( 1.525 1.356 -0.787) 2.187 5.450 ( 1.331 -1.934 -0.745) 2.463 5.933 ( 3.163 -4.205 0.146) 5.264 5.963 ( 1.263 -4.406 1.475) 4.815 6.083 ( 4.006 -5.604 -0.504) 6.907 6.167 ( -3.485 -5.656 1.748) 6.870 6.232 ( 2.365 -8.189 -2.861) 8.991 6.352 ( 2.398 -4.946 1.348) 5.660 6.431 ( -2.668 -4.084 -1.064) 4.993 6.535 ( 0.768 -3.555 -0.092) 3.638 6.612 ( -0.696 0.491 1.236) 1.501 6.644 ( -0.312 1.446 0.019) 1.479 6.694 ( 6.304 3.363 -0.238) 7.149 6.766 ( 1.012 0.160 -0.273) 1.060 6.812 ( -1.256 3.641 -0.978) 3.974 6.892 ( 3.002 -0.269 -0.211) 3.022 6.915 ( -0.034 4.013 -0.348) 4.028 6.943 ( 1.289 -0.754 0.813) 1.700 6.973 ( -0.623 -0.995 0.863) 1.457 6.999 ( -0.723 -1.763 1.194) 2.248 7.081 ( 0.040 1.657 -0.700) 1.799 7.198 ( -3.584 3.443 -0.860) 5.044 7.276 ( 1.354 4.642 -0.288) 4.844 7.316 ( -1.101 3.732 -0.111) 3.893 7.392 ( 0.800 6.213 0.961) 6.337 7.447 ( -0.114 3.961 0.524) 3.997 7.468 ( -1.396 2.596 0.951) 3.097 7.524 ( 1.257 0.916 -1.209) 1.970 7.564 ( 0.520 1.618 -1.642) 2.363 7.657 ( 1.307 -0.036 -0.372) 1.359 7.722 ( 0.748 0.709 0.346) 1.087 7.755 ( -1.047 0.902 1.909) 2.357 7.824 ( -0.135 4.153 -0.062) 4.156 7.879 ( -1.081 2.093 1.143) 2.618 7.974 ( 1.595 4.450 -3.951) 6.160 8.144 ( -3.187 -2.148 0.676) 3.902 8.385 ( 0.633 -2.646 3.519) 4.448 8.438 ( 0.267 1.010 -1.606) 1.916 8.485 ( -0.743 1.436 2.148) 2.688 8.594 ( -0.546 -2.407 -3.727) 4.470 8.659 ( 1.622 -1.968 -0.148) 2.554 8.934 ( 0.165 -2.426 5.204) 5.744 8.991 ( -1.346 -3.931 -0.728) 4.218 9.120 ( -3.850 -5.350 -5.871) 8.826 9.210 ( 0.001 -5.169 1.606) 5.412 9.406 ( 3.003 -12.276 1.366) 12.711 9.450 ( -0.977 -6.568 -3.867) 7.684 9.487 ( 1.414 -9.931 -0.142) 10.032 9.640 ( -2.250 -12.119 2.493) 12.575 9.754 ( 0.225 -5.231 1.089) 5.348 10.103 ( -1.912 -5.218 0.225) 5.562 10.412 ( -1.509 -6.270 -0.354) 6.459 ======================= Grid point 20 (13/56) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.000 11.262 0.000) 11.262 1.892 ( 0.000 13.120 0.000) 13.120 1.904 ( 0.000 20.089 0.000) 20.089 2.168 ( 0.000 15.369 0.000) 15.369 2.290 ( 0.000 14.827 0.000) 14.827 2.444 ( 0.000 17.739 0.000) 17.739 2.542 ( 0.000 -0.147 0.000) 0.147 2.565 ( 0.000 10.089 0.000) 10.089 2.718 ( 0.000 6.607 0.000) 6.607 2.732 ( 0.000 9.264 0.000) 9.264 2.889 ( 0.000 3.163 0.000) 3.163 2.896 ( 0.000 4.983 0.000) 4.983 3.004 ( 0.000 3.401 0.000) 3.401 3.055 ( 0.000 4.048 0.000) 4.048 3.096 ( 0.000 0.639 0.000) 0.639 3.205 ( 0.000 3.746 0.000) 3.746 3.392 ( 0.000 4.046 0.000) 4.046 3.537 ( 0.000 -1.358 0.000) 1.358 3.574 ( 0.000 3.643 0.000) 3.643 3.623 ( 0.000 -0.114 0.000) 0.114 3.822 ( 0.000 5.085 0.000) 5.085 3.882 ( 0.000 7.653 0.000) 7.653 3.901 ( 0.000 26.967 0.000) 26.967 4.081 ( 0.000 5.964 0.000) 5.964 4.175 ( 0.000 12.905 0.000) 12.905 4.250 ( 0.000 3.534 0.000) 3.534 4.285 ( 0.000 -7.801 0.000) 7.801 4.415 ( 0.000 -3.615 0.000) 3.615 4.555 ( 0.000 11.328 0.000) 11.328 4.673 ( 0.000 3.406 0.000) 3.406 4.698 ( 0.000 2.640 0.000) 2.640 4.713 ( 0.000 19.774 0.000) 19.774 4.800 ( 0.000 19.645 0.000) 19.645 4.920 ( 0.000 5.225 0.000) 5.225 5.057 ( 0.000 4.254 0.000) 4.254 5.151 ( 0.000 3.948 0.000) 3.948 5.241 ( 0.000 7.516 0.000) 7.516 5.288 ( 0.000 7.958 0.000) 7.958 5.289 ( 0.000 0.583 0.000) 0.583 5.548 ( 0.000 10.670 0.000) 10.670 5.803 ( 0.000 1.366 0.000) 1.366 5.828 ( 0.000 -4.282 0.000) 4.282 5.902 ( 0.000 -0.443 0.000) 0.443 5.928 ( 0.000 -7.757 0.000) 7.757 6.110 ( 0.000 -4.426 0.000) 4.426 6.266 ( 0.000 -3.480 0.000) 3.480 6.401 ( 0.000 -4.619 0.000) 4.619 6.425 ( 0.000 -3.452 0.000) 3.452 6.587 ( 0.000 1.569 0.000) 1.569 6.606 ( 0.000 1.580 0.000) 1.580 6.662 ( 0.000 -2.289 0.000) 2.289 6.682 ( 0.000 0.695 0.000) 0.695 6.788 ( 0.000 -0.362 0.000) 0.362 6.874 ( 0.000 2.901 0.000) 2.901 6.945 ( 0.000 2.474 0.000) 2.474 6.956 ( 0.000 3.987 0.000) 3.987 7.053 ( 0.000 1.850 0.000) 1.850 7.150 ( 0.000 0.912 0.000) 0.912 7.158 ( 0.000 2.160 0.000) 2.160 7.238 ( 0.000 3.403 0.000) 3.403 7.312 ( 0.000 0.344 0.000) 0.344 7.387 ( 0.000 4.324 0.000) 4.324 7.417 ( 0.000 0.727 0.000) 0.727 7.444 ( 0.000 1.281 0.000) 1.281 7.475 ( 0.000 -3.347 0.000) 3.347 7.529 ( 0.000 -1.729 0.000) 1.729 7.606 ( 0.000 -1.194 0.000) 1.194 7.643 ( 0.000 2.419 0.000) 2.419 7.759 ( 0.000 -0.487 0.000) 0.487 7.765 ( 0.000 1.072 0.000) 1.072 7.845 ( 0.000 -1.336 0.000) 1.336 7.866 ( 0.000 3.438 0.000) 3.438 8.034 ( 0.000 4.102 0.000) 4.102 8.214 ( 0.000 -4.797 0.000) 4.797 8.268 ( 0.000 -6.545 0.000) 6.545 8.398 ( 0.000 0.591 0.000) 0.591 8.451 ( 0.000 -3.899 0.000) 3.899 8.520 ( 0.000 -1.669 0.000) 1.669 8.663 ( 0.000 1.814 0.000) 1.814 8.891 ( 0.000 -4.749 0.000) 4.749 8.906 ( 0.000 -3.058 0.000) 3.058 9.020 ( 0.000 -10.267 0.000) 10.267 9.169 ( 0.000 -8.576 0.000) 8.576 9.221 ( 0.000 -4.651 0.000) 4.651 9.254 ( 0.000 -4.203 0.000) 4.203 9.487 ( 0.000 -9.502 0.000) 9.502 9.492 ( 0.000 -1.704 0.000) 1.704 9.670 ( 0.000 -3.569 0.000) 3.569 10.102 ( 0.000 -4.231 0.000) 4.231 10.348 ( 0.000 -6.922 0.000) 6.922 ======================= Grid point 21 (14/56) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.836 11.641 -0.035) 11.671 1.881 ( -0.652 13.093 -1.140) 13.159 1.916 ( 0.903 17.691 0.598) 17.724 2.141 ( -2.332 14.079 -0.142) 14.272 2.263 ( -1.426 16.013 -2.416) 16.257 2.429 ( 1.300 16.636 -1.687) 16.772 2.571 ( 0.350 7.794 -5.426) 9.503 2.583 ( -0.420 1.796 2.597) 3.185 2.702 ( -3.458 12.126 0.303) 12.613 2.713 ( -3.216 7.720 5.019) 9.754 2.795 ( -7.344 3.767 4.184) 9.254 2.822 ( -0.941 2.856 1.918) 3.567 2.961 ( -4.274 6.808 1.671) 8.210 3.030 ( -2.615 2.998 2.617) 4.762 3.133 ( 0.846 3.794 -3.268) 5.078 3.193 ( -0.146 3.728 -3.380) 5.034 3.385 ( -1.846 5.113 1.856) 5.744 3.435 ( -9.199 -2.787 -3.140) 10.112 3.562 ( 1.886 1.955 2.007) 3.377 3.655 ( 2.096 -2.602 -8.067) 8.731 3.768 ( 1.204 13.606 -2.440) 13.875 3.930 ( 4.604 3.154 2.689) 6.194 4.009 ( -0.511 2.345 7.284) 7.670 4.096 ( -0.492 14.310 1.223) 14.370 4.112 ( 1.362 9.620 -3.820) 10.440 4.258 ( 2.539 11.953 1.435) 12.304 4.389 ( 4.832 0.085 2.453) 5.420 4.432 ( 1.131 -3.623 1.329) 4.021 4.548 ( 0.775 6.243 -3.598) 7.247 4.612 ( -3.327 8.087 -5.574) 10.370 4.687 ( -3.913 13.495 7.496) 15.925 4.765 ( 2.521 18.117 -2.011) 18.402 4.800 ( 1.130 11.492 -0.109) 11.548 4.915 ( -0.214 3.982 0.619) 4.036 5.001 ( -2.305 5.785 -1.289) 6.360 5.149 ( -0.955 7.870 -0.349) 7.935 5.252 ( -1.099 0.484 1.455) 1.887 5.309 ( 4.309 3.900 -3.844) 6.968 5.346 ( 3.735 5.599 2.492) 7.176 5.504 ( -3.581 7.813 0.033) 8.594 5.838 ( 3.104 1.478 0.048) 3.439 5.874 ( 2.954 -2.070 0.874) 3.711 5.912 ( 2.331 -3.348 1.189) 4.249 5.994 ( 4.818 -5.288 -0.703) 7.189 6.103 ( -0.263 -4.836 -2.696) 5.543 6.284 ( 1.400 -0.639 1.531) 2.171 6.389 ( -0.903 -3.979 -1.011) 4.203 6.467 ( 2.547 -3.525 0.664) 4.399 6.609 ( 1.196 0.825 0.975) 1.750 6.625 ( 1.242 -1.400 -0.566) 1.955 6.641 ( 2.549 2.403 1.202) 3.703 6.720 ( 1.223 -0.403 -2.722) 3.011 6.791 ( 0.917 -0.704 1.066) 1.572 6.877 ( 0.246 1.080 -0.799) 1.365 6.929 ( -1.462 1.930 -1.235) 2.718 6.967 ( 0.507 3.132 1.124) 3.366 7.029 ( -1.776 1.443 1.151) 2.562 7.101 ( -5.654 0.098 -0.059) 5.655 7.146 ( -0.508 3.952 0.242) 3.992 7.280 ( 2.825 2.513 -0.265) 3.791 7.338 ( -0.581 1.774 -2.075) 2.792 7.351 ( 0.543 0.295 1.778) 1.882 7.431 ( 2.149 1.597 1.920) 3.294 7.449 ( 1.472 0.646 -0.711) 1.758 7.476 ( -2.467 -2.528 1.929) 4.025 7.530 ( -1.638 0.563 -1.017) 2.008 7.613 ( 3.639 -0.165 -2.860) 4.631 7.638 ( -0.391 1.294 0.274) 1.379 7.720 ( -1.475 1.043 0.437) 1.859 7.794 ( -0.259 1.030 0.933) 1.414 7.888 ( 2.412 2.005 -0.588) 3.191 7.893 ( 2.971 0.535 3.147) 4.361 8.014 ( -0.578 2.989 -5.251) 6.069 8.159 ( -3.779 -3.527 -1.263) 5.321 8.285 ( 0.265 -7.201 4.329) 8.406 8.407 ( 1.106 -0.064 2.995) 3.194 8.451 ( 0.344 -2.675 -2.702) 3.818 8.552 ( 2.656 -1.370 -1.421) 3.309 8.651 ( -1.299 1.068 -0.488) 1.752 8.887 ( -1.541 -3.104 2.495) 4.271 8.899 ( 0.231 -4.936 1.774) 5.250 9.027 ( 0.743 -10.546 -2.309) 10.822 9.153 ( -2.135 -7.640 -0.333) 7.940 9.205 ( -0.744 -3.285 -2.880) 4.432 9.283 ( 2.045 -6.085 0.355) 6.429 9.400 ( -4.031 -6.489 -5.128) 9.200 9.507 ( -2.004 -5.027 6.823) 8.709 9.666 ( -0.269 -3.811 0.032) 3.820 10.073 ( -2.539 -3.614 0.337) 4.430 10.327 ( -1.764 -6.603 -0.498) 6.852 ======================= Grid point 22 (15/56) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.395 12.962 0.096) 12.969 1.874 ( 0.540 13.417 -1.534) 13.515 1.916 ( -1.478 11.650 1.115) 11.796 2.141 ( 3.226 13.990 -0.859) 14.383 2.238 ( -0.960 14.973 -0.030) 15.004 2.460 ( -6.425 5.162 -1.350) 8.352 2.501 ( 3.348 12.890 1.740) 13.431 2.532 ( -1.336 14.772 -3.131) 15.159 2.610 ( -4.562 10.568 -1.164) 11.569 2.662 ( -1.803 8.988 0.723) 9.195 2.762 ( -0.316 6.645 5.002) 8.324 2.831 ( -1.568 4.550 0.448) 4.834 2.894 ( -0.247 3.853 1.526) 4.152 2.998 ( -0.756 0.863 3.313) 3.506 3.112 ( -1.333 6.498 -1.348) 6.769 3.180 ( -1.490 4.785 -2.722) 5.703 3.289 ( -0.713 0.170 -6.657) 6.698 3.329 ( -4.029 3.656 4.249) 6.903 3.606 ( 1.149 1.712 0.970) 2.279 3.708 ( 3.842 -3.101 -5.409) 7.323 3.765 ( -0.997 0.784 1.793) 2.196 3.955 ( -2.400 -2.059 1.421) 3.467 3.987 ( -1.415 2.624 1.808) 3.487 4.158 ( 6.506 11.938 -0.081) 13.596 4.215 ( 6.645 16.839 2.642) 18.295 4.289 ( 0.664 12.488 -2.443) 12.742 4.415 ( -3.979 2.205 -2.105) 5.012 4.481 ( 2.143 6.440 6.707) 9.542 4.508 ( -3.769 5.030 -1.973) 6.588 4.557 ( -4.567 10.032 -5.052) 12.125 4.595 ( 1.086 8.301 1.613) 8.526 4.814 ( 0.826 10.875 5.182) 12.075 4.829 ( 1.377 16.591 -5.643) 17.579 4.941 ( 2.995 5.795 1.225) 6.637 4.981 ( -0.684 8.413 1.469) 8.567 5.110 ( -2.222 7.328 -1.831) 7.873 5.252 ( 0.293 -1.403 1.619) 2.162 5.332 ( -0.189 8.644 -2.489) 8.997 5.434 ( 2.823 1.993 0.961) 3.586 5.452 ( -1.040 2.879 -0.030) 3.061 5.894 ( 1.452 1.299 -1.321) 2.353 5.916 ( 1.664 0.115 1.898) 2.527 5.995 ( 4.204 -3.582 1.166) 5.645 6.070 ( -2.354 -3.559 -1.329) 4.469 6.076 ( 2.637 -7.358 -0.928) 7.871 6.326 ( 1.844 2.786 0.499) 3.378 6.365 ( -0.938 -2.786 -0.390) 2.965 6.485 ( 0.038 -1.038 0.298) 1.081 6.623 ( -0.927 0.855 0.712) 1.448 6.662 ( 0.186 0.464 -0.036) 0.501 6.718 ( 4.413 -1.988 -0.248) 4.847 6.749 ( 4.296 -1.064 0.036) 4.426 6.850 ( 3.240 -2.362 -0.658) 4.063 6.868 ( -2.850 2.334 -0.886) 3.789 6.891 ( 0.086 -2.049 -0.445) 2.099 6.961 ( -1.515 0.497 0.828) 1.796 6.967 ( -4.120 0.162 0.216) 4.129 7.023 ( -0.213 2.791 0.332) 2.819 7.142 ( 0.279 4.131 0.627) 4.188 7.219 ( -7.025 -0.853 -0.604) 7.102 7.346 ( 2.092 2.377 0.426) 3.195 7.379 ( -0.407 2.240 -0.321) 2.300 7.448 ( 1.589 -0.147 1.655) 2.299 7.472 ( 1.743 1.638 1.069) 2.620 7.510 ( 1.409 -1.469 -2.998) 3.624 7.544 ( 1.493 2.048 0.641) 2.614 7.616 ( 0.001 3.560 0.624) 3.614 7.656 ( 0.944 -0.591 -2.039) 2.323 7.714 ( 0.391 -0.405 0.975) 1.126 7.767 ( -3.218 0.126 0.639) 3.283 7.907 ( -0.894 2.127 2.517) 3.415 7.928 ( 1.504 3.870 -0.658) 4.204 8.036 ( 2.602 1.431 -3.882) 4.887 8.097 ( -1.631 -1.749 -0.443) 2.432 8.300 ( 0.254 -5.556 1.936) 5.889 8.444 ( 0.147 -3.843 -1.014) 3.977 8.478 ( 4.171 0.323 4.525) 6.162 8.574 ( -1.897 0.777 -3.802) 4.320 8.617 ( -0.415 -2.324 -0.212) 2.371 8.874 ( -0.407 -4.141 3.777) 5.620 8.911 ( 0.435 -3.916 0.221) 3.946 9.022 ( -2.378 -7.475 1.968) 8.088 9.058 ( -2.433 -8.162 -7.806) 11.553 9.207 ( 0.677 -6.410 -0.075) 6.447 9.317 ( 0.961 -7.073 1.178) 7.234 9.348 ( -0.648 -6.425 -0.440) 6.473 9.471 ( -2.054 -4.287 1.758) 5.068 9.663 ( -0.081 -4.360 0.110) 4.362 10.027 ( -1.593 -2.634 0.174) 3.083 10.293 ( -1.107 -6.032 -0.290) 6.139 ======================= Grid point 25 (16/56) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.000 9.858 0.000) 9.858 2.108 ( 0.000 8.622 0.000) 8.622 2.182 ( 0.000 8.296 0.000) 8.296 2.427 ( 0.000 13.889 0.000) 13.889 2.455 ( 0.000 -6.533 0.000) 6.533 2.588 ( 0.000 11.714 0.000) 11.714 2.692 ( 0.000 1.655 0.000) 1.655 2.756 ( 0.000 14.054 0.000) 14.054 2.838 ( 0.000 4.943 0.000) 4.943 2.876 ( 0.000 4.670 0.000) 4.670 2.952 ( 0.000 0.433 0.000) 0.433 2.973 ( 0.000 6.326 0.000) 6.326 2.999 ( 0.000 -1.487 0.000) 1.487 3.081 ( 0.000 -0.241 0.000) 0.241 3.157 ( 0.000 4.507 0.000) 4.507 3.288 ( 0.000 4.830 0.000) 4.830 3.448 ( 0.000 2.261 0.000) 2.261 3.449 ( 0.000 -4.333 0.000) 4.333 3.527 ( 0.000 -3.957 0.000) 3.957 3.636 ( 0.000 0.164 0.000) 0.164 3.780 ( 0.000 -6.359 0.000) 6.359 3.945 ( 0.000 -1.065 0.000) 1.065 4.016 ( 0.000 -11.070 0.000) 11.070 4.162 ( 0.000 -1.239 0.000) 1.239 4.267 ( 0.000 5.256 0.000) 5.256 4.331 ( 0.000 -1.111 0.000) 1.111 4.460 ( 0.000 9.822 0.000) 9.822 4.540 ( 0.000 22.865 0.000) 22.865 4.674 ( 0.000 5.604 0.000) 5.604 4.738 ( 0.000 4.282 0.000) 4.282 4.782 ( 0.000 6.190 0.000) 6.190 4.882 ( 0.000 2.933 0.000) 2.933 5.065 ( 0.000 2.894 0.000) 2.894 5.087 ( 0.000 -0.476 0.000) 0.476 5.171 ( 0.000 2.331 0.000) 2.331 5.187 ( 0.000 10.196 0.000) 10.196 5.314 ( 0.000 12.793 0.000) 12.793 5.550 ( 0.000 14.590 0.000) 14.590 5.571 ( 0.000 13.442 0.000) 13.442 5.685 ( 0.000 2.153 0.000) 2.153 5.782 ( 0.000 0.257 0.000) 0.257 5.807 ( 0.000 -4.323 0.000) 4.323 5.871 ( 0.000 5.608 0.000) 5.608 5.913 ( 0.000 1.260 0.000) 1.260 6.092 ( 0.000 2.686 0.000) 2.686 6.211 ( 0.000 -1.881 0.000) 1.881 6.330 ( 0.000 -2.666 0.000) 2.666 6.364 ( 0.000 -2.781 0.000) 2.781 6.585 ( 0.000 -0.834 0.000) 0.834 6.600 ( 0.000 -1.431 0.000) 1.431 6.657 ( 0.000 1.102 0.000) 1.102 6.702 ( 0.000 0.353 0.000) 0.353 6.796 ( 0.000 1.804 0.000) 1.804 6.918 ( 0.000 1.360 0.000) 1.360 7.002 ( 0.000 3.725 0.000) 3.725 7.021 ( 0.000 3.181 0.000) 3.181 7.086 ( 0.000 1.525 0.000) 1.525 7.150 ( 0.000 0.591 0.000) 0.591 7.203 ( 0.000 1.167 0.000) 1.167 7.289 ( 0.000 1.726 0.000) 1.726 7.304 ( 0.000 -1.242 0.000) 1.242 7.417 ( 0.000 -1.161 0.000) 1.161 7.420 ( 0.000 0.082 0.000) 0.082 7.441 ( 0.000 -0.073 0.000) 0.073 7.452 ( 0.000 -0.683 0.000) 0.683 7.493 ( 0.000 -1.416 0.000) 1.416 7.594 ( 0.000 -0.441 0.000) 0.441 7.673 ( 0.000 -2.791 0.000) 2.791 7.739 ( 0.000 2.754 0.000) 2.754 7.771 ( 0.000 -0.076 0.000) 0.076 7.825 ( 0.000 -0.661 0.000) 0.661 7.924 ( 0.000 2.791 0.000) 2.791 8.068 ( 0.000 -1.912 0.000) 1.912 8.142 ( 0.000 -3.040 0.000) 3.040 8.202 ( 0.000 1.061 0.000) 1.061 8.381 ( 0.000 -3.280 0.000) 3.280 8.405 ( 0.000 0.084 0.000) 0.084 8.478 ( 0.000 -2.599 0.000) 2.599 8.687 ( 0.000 0.525 0.000) 0.525 8.805 ( 0.000 -4.225 0.000) 4.225 8.829 ( 0.000 -4.429 0.000) 4.429 8.852 ( 0.000 -6.703 0.000) 6.703 9.039 ( 0.000 -4.381 0.000) 4.381 9.170 ( 0.000 -0.894 0.000) 0.894 9.186 ( 0.000 -3.275 0.000) 3.275 9.302 ( 0.000 -8.954 0.000) 8.954 9.472 ( 0.000 -0.514 0.000) 0.514 9.595 ( 0.000 -4.147 0.000) 4.147 10.044 ( 0.000 -1.564 0.000) 1.564 10.220 ( 0.000 -6.244 0.000) 6.244 ======================= Grid point 26 (17/56) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 0.979 9.650 0.024) 9.700 2.091 ( -0.968 8.273 -2.009) 8.568 2.164 ( -2.185 7.801 2.115) 8.373 2.407 ( -1.299 11.905 0.223) 11.977 2.459 ( 0.338 -0.619 -4.411) 4.467 2.578 ( -2.233 7.185 2.453) 7.914 2.697 ( -0.027 3.876 3.311) 5.097 2.748 ( -0.374 9.298 -0.147) 9.307 2.800 ( -1.830 7.290 -2.959) 8.078 2.861 ( -1.180 2.508 -0.674) 2.853 2.884 ( -2.270 6.215 2.208) 6.975 2.966 ( -0.866 11.048 0.288) 11.086 3.032 ( 0.452 0.782 3.752) 3.860 3.115 ( -3.448 3.741 -0.029) 5.088 3.159 ( 3.210 -0.443 -4.459) 5.512 3.248 ( -1.661 2.852 3.168) 4.575 3.386 ( -6.058 0.415 -0.462) 6.090 3.465 ( 1.219 3.250 0.135) 3.474 3.507 ( 0.312 -4.501 -6.871) 8.220 3.640 ( -0.686 -1.671 0.682) 1.930 3.815 ( 0.947 -4.389 -3.937) 5.971 3.874 ( -5.688 -7.415 1.416) 9.452 3.956 ( -1.684 -5.390 6.250) 8.423 4.154 ( -0.434 -3.766 2.510) 4.547 4.271 ( 0.169 -0.022 -1.369) 1.380 4.367 ( 2.182 -2.061 -0.029) 3.002 4.483 ( -0.626 12.784 -2.972) 13.140 4.506 ( 1.132 7.106 1.114) 7.281 4.683 ( 0.988 11.316 -0.800) 11.387 4.754 ( -1.627 6.317 1.006) 6.600 4.835 ( 5.341 6.350 4.577) 9.476 4.963 ( 5.748 6.243 1.836) 8.682 5.055 ( -1.552 2.709 -2.742) 4.155 5.104 ( -6.455 7.489 -1.104) 9.949 5.117 ( 1.510 6.127 -0.954) 6.382 5.179 ( 2.416 1.725 -1.858) 3.502 5.302 ( -0.754 10.973 -1.387) 11.086 5.526 ( 0.167 10.359 -4.110) 11.146 5.555 ( -0.701 11.076 5.180) 12.247 5.620 ( -6.720 3.524 1.770) 7.792 5.817 ( 4.813 -2.797 -0.590) 5.598 5.872 ( 3.503 -1.672 0.507) 3.915 5.928 ( 4.677 6.286 -0.701) 7.867 5.968 ( 3.903 3.264 0.586) 5.121 6.075 ( -0.721 2.404 -0.953) 2.685 6.289 ( 5.056 -0.089 -1.211) 5.200 6.338 ( 1.196 -0.662 1.569) 2.081 6.414 ( 4.898 -1.909 0.349) 5.269 6.581 ( 0.306 -1.554 0.416) 1.637 6.627 ( 2.127 -0.360 0.044) 2.158 6.665 ( 1.006 1.008 -0.175) 1.435 6.726 ( 2.437 0.301 -2.973) 3.856 6.798 ( -0.122 1.864 0.808) 2.035 6.898 ( -1.513 0.773 -0.207) 1.711 6.969 ( -2.444 2.428 -1.025) 3.594 7.016 ( -2.816 2.266 2.058) 4.160 7.053 ( -2.180 1.262 0.316) 2.538 7.119 ( -3.475 2.235 -0.080) 4.132 7.209 ( 0.600 1.755 0.001) 1.855 7.309 ( 1.988 0.693 0.157) 2.111 7.335 ( -3.580 -0.784 2.846) 4.640 7.343 ( 1.688 -1.046 -0.351) 2.016 7.413 ( -1.872 -3.240 -0.379) 3.761 7.442 ( 0.338 -1.084 -1.171) 1.631 7.466 ( 0.985 0.711 0.022) 1.215 7.526 ( 2.572 -1.127 0.312) 2.825 7.605 ( 3.693 0.574 -1.490) 4.023 7.701 ( -0.712 3.891 -0.407) 3.977 7.730 ( -0.760 0.077 0.005) 0.764 7.799 ( 0.423 -0.410 1.888) 1.978 7.846 ( 3.570 -2.684 2.037) 4.909 7.947 ( 2.044 2.813 -1.061) 3.636 8.026 ( -1.398 -2.681 -4.624) 5.525 8.138 ( -2.636 1.429 1.546) 3.373 8.170 ( -0.819 -3.945 1.414) 4.270 8.362 ( -1.232 -3.825 -1.379) 4.248 8.432 ( 2.114 0.079 0.794) 2.259 8.522 ( 3.218 -1.871 0.157) 3.725 8.670 ( -1.902 0.703 -0.323) 2.053 8.796 ( -1.937 -5.180 2.803) 6.200 8.820 ( 0.095 -4.045 1.819) 4.436 8.851 ( 0.200 -6.913 -3.825) 7.903 9.027 ( -1.295 -4.626 0.196) 4.808 9.155 ( -1.755 -3.168 -5.728) 6.777 9.196 ( 0.554 -2.985 3.599) 4.708 9.257 ( -2.743 -6.247 0.696) 6.858 9.464 ( -1.016 -0.586 1.024) 1.557 9.590 ( -0.364 -4.036 -0.194) 4.057 10.027 ( -1.488 -1.019 0.305) 1.829 10.205 ( -1.246 -5.942 -0.318) 6.080 ======================= Grid point 27 (18/56) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 0.741 9.375 0.049) 9.404 2.078 ( 0.747 7.665 -2.763) 8.182 2.116 ( -2.871 8.018 2.787) 8.961 2.386 ( -0.639 9.910 0.260) 9.934 2.454 ( 0.238 0.114 -1.406) 1.430 2.517 ( -2.630 10.356 0.057) 10.685 2.708 ( 0.541 7.632 1.740) 7.846 2.758 ( 0.825 1.017 -0.025) 1.310 2.794 ( 0.119 9.476 -1.643) 9.618 2.817 ( -1.355 8.758 -1.977) 9.080 2.884 ( 0.792 9.503 2.048) 9.753 2.952 ( -0.707 10.921 -0.809) 10.974 2.993 ( -3.509 -0.700 3.540) 5.033 3.040 ( -2.503 7.654 1.941) 8.283 3.215 ( 2.505 3.610 -2.830) 5.226 3.264 ( -2.786 1.684 -3.724) 4.946 3.274 ( 2.447 1.773 0.864) 3.143 3.414 ( -6.197 3.908 1.879) 7.564 3.521 ( 1.399 -4.827 -2.075) 5.437 3.624 ( -0.203 -7.937 0.042) 7.940 3.764 ( -0.311 -1.256 -0.391) 1.352 3.858 ( -1.344 -6.307 2.488) 6.912 3.943 ( -0.915 -8.066 0.093) 8.119 4.187 ( 1.696 -11.182 2.526) 11.588 4.290 ( 2.032 1.439 -1.111) 2.727 4.399 ( 2.353 -2.912 -1.479) 4.025 4.470 ( -0.080 6.582 -1.231) 6.697 4.513 ( -0.758 4.687 -0.697) 4.799 4.695 ( -0.831 10.885 -0.424) 10.925 4.745 ( 0.290 9.392 2.047) 9.617 4.879 ( -6.174 11.884 0.346) 13.396 4.964 ( 3.609 4.359 1.386) 5.827 5.024 ( -0.940 5.779 2.405) 6.330 5.050 ( -0.488 1.126 -1.277) 1.771 5.181 ( 3.798 9.916 -1.241) 10.691 5.243 ( 2.609 6.032 -0.280) 6.579 5.286 ( -0.483 7.490 -1.613) 7.677 5.484 ( -5.042 3.029 -0.610) 5.914 5.543 ( 1.358 6.941 -0.669) 7.104 5.577 ( 0.522 9.448 1.936) 9.659 5.906 ( 3.228 -4.244 -1.209) 5.468 5.922 ( 1.042 -2.933 1.494) 3.453 5.999 ( 1.775 6.050 -0.422) 6.319 6.026 ( 1.585 6.677 0.071) 6.863 6.066 ( 0.101 2.903 -0.493) 2.946 6.320 ( 0.083 -2.024 -0.420) 2.069 6.424 ( 4.396 5.388 0.784) 6.998 6.505 ( 2.306 3.023 0.634) 3.854 6.616 ( 2.506 -2.353 -0.444) 3.466 6.673 ( 0.666 1.615 1.201) 2.120 6.690 ( 2.369 -0.895 -1.267) 2.831 6.740 ( -0.103 1.833 -0.503) 1.904 6.817 ( 1.338 -0.455 -1.312) 1.928 6.867 ( -2.260 -0.710 0.587) 2.440 6.912 ( -1.498 1.955 -0.761) 2.578 6.957 ( -1.903 -0.458 0.365) 1.992 6.973 ( -3.053 0.425 0.943) 3.224 7.093 ( -0.174 4.214 0.102) 4.219 7.173 ( -7.213 -2.047 0.630) 7.524 7.228 ( 0.218 2.489 -0.123) 2.502 7.372 ( 2.307 0.386 0.949) 2.524 7.392 ( 0.602 -0.836 -0.059) 1.032 7.424 ( 2.819 -1.396 0.089) 3.147 7.469 ( 1.596 -2.436 -1.326) 3.200 7.505 ( 1.630 1.388 -0.265) 2.158 7.560 ( 0.372 -0.227 0.849) 0.954 7.633 ( 0.051 -0.641 -0.130) 0.656 7.687 ( 0.342 3.341 -0.626) 3.416 7.717 ( -0.574 0.095 0.464) 0.745 7.757 ( -4.769 -0.877 0.126) 4.850 7.922 ( 4.457 -0.476 4.117) 6.086 7.987 ( 1.772 2.330 -1.219) 3.171 8.044 ( -4.041 1.128 -3.638) 5.553 8.082 ( 3.866 -1.264 -2.946) 5.022 8.186 ( 1.021 -5.576 3.511) 6.668 8.327 ( -1.900 -6.769 -0.164) 7.032 8.491 ( 3.878 0.474 1.619) 4.229 8.573 ( 0.737 -1.816 0.001) 1.959 8.601 ( -3.868 1.382 -2.077) 4.603 8.768 ( -1.073 -6.613 1.409) 6.846 8.833 ( -0.272 -6.153 4.614) 7.696 8.842 ( 0.466 -5.289 -4.291) 6.826 8.975 ( -3.050 -2.796 -1.643) 4.452 9.092 ( -1.377 -5.829 -1.785) 6.250 9.223 ( 0.897 -3.180 2.515) 4.152 9.237 ( -0.222 -3.893 -0.229) 3.906 9.442 ( -0.973 0.213 0.157) 1.008 9.583 ( -0.202 -3.921 -0.112) 3.928 10.000 ( -0.942 -0.130 0.174) 0.966 10.181 ( -0.769 -5.462 -0.189) 5.519 ======================= Grid point 30 (19/56) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.000 8.475 0.000) 8.475 2.204 ( 0.000 0.286 0.000) 0.286 2.271 ( 0.000 2.021 0.000) 2.021 2.322 ( 0.000 -5.779 0.000) 5.779 2.663 ( 0.000 4.899 0.000) 4.899 2.681 ( 0.000 -1.140 0.000) 1.140 2.702 ( 0.000 7.011 0.000) 7.011 2.870 ( 0.000 -6.006 0.000) 6.006 2.908 ( 0.000 0.732 0.000) 0.732 2.918 ( 0.000 0.823 0.000) 0.823 2.959 ( 0.000 4.987 0.000) 4.987 2.998 ( 0.000 -0.109 0.000) 0.109 3.090 ( 0.000 6.627 0.000) 6.627 3.190 ( 0.000 -1.868 0.000) 1.868 3.200 ( 0.000 10.625 0.000) 10.625 3.345 ( 0.000 -1.535 0.000) 1.535 3.408 ( 0.000 0.039 0.000) 0.039 3.442 ( 0.000 -3.333 0.000) 3.333 3.508 ( 0.000 3.811 0.000) 3.811 3.612 ( 0.000 -4.848 0.000) 4.848 3.674 ( 0.000 -0.727 0.000) 0.727 3.762 ( 0.000 -9.367 0.000) 9.367 3.987 ( 0.000 2.933 0.000) 2.933 4.080 ( 0.000 -5.695 0.000) 5.695 4.327 ( 0.000 0.625 0.000) 0.625 4.330 ( 0.000 0.940 0.000) 0.940 4.615 ( 0.000 6.581 0.000) 6.581 4.695 ( 0.000 -1.205 0.000) 1.205 4.799 ( 0.000 5.546 0.000) 5.546 4.852 ( 0.000 0.658 0.000) 0.658 4.898 ( 0.000 5.657 0.000) 5.657 4.978 ( 0.000 0.388 0.000) 0.388 5.093 ( 0.000 6.804 0.000) 6.804 5.097 ( 0.000 1.616 0.000) 1.616 5.155 ( 0.000 0.068 0.000) 0.068 5.265 ( 0.000 -2.741 0.000) 2.741 5.579 ( 0.000 9.744 0.000) 9.744 5.657 ( 0.000 -0.488 0.000) 0.488 5.715 ( 0.000 2.756 0.000) 2.756 5.760 ( 0.000 2.783 0.000) 2.783 5.765 ( 0.000 0.414 0.000) 0.414 5.770 ( 0.000 -2.270 0.000) 2.270 5.965 ( 0.000 3.417 0.000) 3.417 5.978 ( 0.000 3.011 0.000) 3.011 6.165 ( 0.000 3.488 0.000) 3.488 6.197 ( 0.000 -0.078 0.000) 0.078 6.300 ( 0.000 -0.319 0.000) 0.319 6.319 ( 0.000 -1.867 0.000) 1.867 6.572 ( 0.000 -0.347 0.000) 0.347 6.577 ( 0.000 -0.833 0.000) 0.833 6.677 ( 0.000 0.940 0.000) 0.940 6.694 ( 0.000 -0.790 0.000) 0.790 6.853 ( 0.000 3.585 0.000) 3.585 6.913 ( 0.000 -1.990 0.000) 1.990 7.079 ( 0.000 3.319 0.000) 3.319 7.087 ( 0.000 3.493 0.000) 3.493 7.108 ( 0.000 0.584 0.000) 0.584 7.154 ( 0.000 -2.094 0.000) 2.094 7.236 ( 0.000 4.486 0.000) 4.486 7.284 ( 0.000 0.058 0.000) 0.058 7.296 ( 0.000 -1.062 0.000) 1.062 7.360 ( 0.000 -5.664 0.000) 5.664 7.426 ( 0.000 0.274 0.000) 0.274 7.428 ( 0.000 -0.278 0.000) 0.278 7.448 ( 0.000 0.745 0.000) 0.745 7.471 ( 0.000 -1.200 0.000) 1.200 7.588 ( 0.000 -0.059 0.000) 0.059 7.604 ( 0.000 -2.249 0.000) 2.249 7.778 ( 0.000 1.060 0.000) 1.060 7.806 ( 0.000 -1.351 0.000) 1.351 7.844 ( 0.000 6.270 0.000) 6.270 7.948 ( 0.000 -2.800 0.000) 2.800 8.025 ( 0.000 0.914 0.000) 0.914 8.081 ( 0.000 -3.373 0.000) 3.373 8.262 ( 0.000 3.719 0.000) 3.719 8.324 ( 0.000 -2.778 0.000) 2.778 8.405 ( 0.000 0.265 0.000) 0.265 8.429 ( 0.000 -2.207 0.000) 2.207 8.692 ( 0.000 0.710 0.000) 0.710 8.731 ( 0.000 -3.165 0.000) 3.165 8.766 ( 0.000 -1.690 0.000) 1.690 8.767 ( 0.000 -2.079 0.000) 2.079 9.009 ( 0.000 1.471 0.000) 1.471 9.090 ( 0.000 -6.188 0.000) 6.188 9.171 ( 0.000 0.673 0.000) 0.673 9.194 ( 0.000 -2.167 0.000) 2.167 9.475 ( 0.000 1.047 0.000) 1.047 9.519 ( 0.000 -3.400 0.000) 3.400 10.047 ( 0.000 1.915 0.000) 1.915 10.113 ( 0.000 -4.689 0.000) 4.689 ======================= Grid point 31 (20/56) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 0.117 7.382 -0.024) 7.383 2.179 ( -1.692 0.295 -0.507) 1.791 2.260 ( -1.042 3.401 0.873) 3.663 2.343 ( 1.440 -5.824 -1.093) 6.098 2.615 ( -3.590 5.098 1.828) 6.498 2.675 ( -1.177 -2.263 3.786) 4.565 2.718 ( 1.186 7.675 -2.647) 8.205 2.844 ( -0.279 -3.417 -1.153) 3.617 2.891 ( -0.268 5.254 -0.531) 5.288 2.937 ( 1.147 1.756 -0.217) 2.109 3.021 ( 3.478 3.270 0.268) 4.781 3.029 ( 1.448 0.051 1.778) 2.294 3.109 ( 1.771 3.934 -1.026) 4.435 3.175 ( -1.803 6.988 -2.651) 7.688 3.192 ( -0.781 2.198 1.234) 2.639 3.310 ( -0.975 1.651 0.220) 1.930 3.381 ( -3.210 -3.167 -4.908) 6.665 3.450 ( 2.241 -3.075 0.124) 3.807 3.498 ( -0.122 3.832 -0.168) 3.838 3.628 ( -3.774 2.141 3.304) 5.453 3.677 ( 1.565 -10.877 0.468) 10.999 3.708 ( -3.833 -5.342 -0.156) 6.577 3.907 ( -6.181 1.804 1.426) 6.595 4.011 ( -5.376 -7.720 0.977) 9.458 4.316 ( 0.075 2.059 -0.410) 2.101 4.342 ( 0.503 -0.920 -0.159) 1.061 4.609 ( -2.503 3.864 -1.791) 4.940 4.627 ( -2.814 2.753 -2.621) 4.730 4.829 ( 1.228 3.242 4.370) 5.578 4.837 ( 1.687 2.121 4.278) 5.064 4.947 ( 3.141 4.905 -1.588) 6.037 5.028 ( 1.329 -3.069 -3.826) 5.082 5.093 ( -0.842 3.416 2.539) 4.339 5.140 ( -1.082 -1.783 1.911) 2.829 5.186 ( 6.502 6.740 -0.825) 9.401 5.255 ( -0.013 1.175 -2.136) 2.438 5.537 ( -3.121 8.814 -2.436) 9.662 5.618 ( -2.065 -0.198 -5.014) 5.427 5.657 ( -5.296 2.284 5.659) 8.080 5.682 ( -2.734 0.905 1.582) 3.286 5.792 ( 3.796 0.631 -1.246) 4.045 5.828 ( 2.884 -2.480 -0.904) 3.910 6.039 ( 4.018 4.109 3.924) 6.959 6.052 ( 4.554 2.921 -0.129) 5.411 6.171 ( 1.093 5.441 -1.938) 5.878 6.251 ( 2.657 -3.179 -1.696) 4.477 6.358 ( 6.641 1.610 1.482) 6.992 6.387 ( 6.602 -1.228 0.838) 6.768 6.573 ( 0.735 0.908 -0.044) 1.169 6.604 ( 2.169 -1.761 -0.265) 2.806 6.695 ( 2.054 1.854 -1.255) 3.038 6.723 ( 3.109 -0.758 -2.467) 4.040 6.849 ( -0.660 2.919 0.409) 3.021 6.894 ( -1.775 -1.345 0.349) 2.254 7.010 ( -3.766 1.761 0.372) 4.174 7.036 ( -4.801 -0.605 0.995) 4.940 7.125 ( -1.613 6.105 0.957) 6.386 7.182 ( -2.377 3.855 -0.234) 4.535 7.208 ( 1.330 -1.575 0.958) 2.273 7.279 ( -6.805 -4.758 0.711) 8.333 7.321 ( 2.372 -0.320 0.200) 2.402 7.335 ( 2.177 -1.605 -0.021) 2.705 7.357 ( -1.001 0.842 0.068) 1.310 7.402 ( -0.558 -2.717 -1.175) 3.012 7.481 ( 2.346 0.912 -1.016) 2.714 7.502 ( 2.867 -1.182 -0.338) 3.120 7.638 ( 3.866 2.620 0.190) 4.674 7.695 ( 3.740 -2.892 0.708) 4.781 7.766 ( -1.685 1.686 -0.017) 2.383 7.795 ( -1.275 -1.056 0.459) 1.718 7.841 ( 1.159 3.906 1.688) 4.410 7.937 ( -0.773 -4.923 0.268) 4.990 8.017 ( 0.839 3.610 -2.201) 4.310 8.091 ( 0.728 -3.727 -0.008) 3.798 8.205 ( -4.432 3.806 -0.602) 5.873 8.283 ( -3.205 -4.193 -0.820) 5.341 8.442 ( 2.878 1.215 0.397) 3.150 8.480 ( 3.474 -2.371 0.069) 4.206 8.682 ( -1.435 0.883 0.824) 1.876 8.715 ( -2.517 -2.750 2.464) 4.469 8.755 ( -0.602 -1.840 0.407) 1.979 8.763 ( 0.340 -2.582 -3.101) 4.049 8.988 ( -1.875 0.735 0.011) 2.014 9.053 ( -3.215 -5.496 -1.094) 6.460 9.176 ( 0.315 0.162 0.982) 1.044 9.191 ( -0.110 -1.532 0.162) 1.544 9.471 ( -0.364 1.308 -0.001) 1.357 9.516 ( -0.161 -3.327 -0.129) 3.333 10.037 ( -0.863 2.060 0.146) 2.238 10.103 ( -0.872 -4.520 -0.085) 4.604 ======================= Grid point 32 (21/56) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.213 5.742 0.063) 5.747 2.153 ( -0.689 0.554 -0.180) 0.902 2.244 ( -0.545 5.736 0.313) 5.770 2.357 ( 0.325 -5.737 -0.480) 5.766 2.565 ( -1.465 6.252 0.499) 6.441 2.665 ( -0.522 -4.277 1.452) 4.547 2.732 ( 0.734 9.443 -0.915) 9.516 2.858 ( 1.099 -0.063 2.579) 2.804 2.887 ( -0.264 3.508 -2.819) 4.509 2.949 ( -0.323 -0.581 0.484) 0.822 3.009 ( -1.351 8.032 -0.325) 8.151 3.082 ( 1.483 5.723 1.779) 6.174 3.127 ( -1.103 5.865 -3.814) 7.083 3.152 ( 1.031 2.114 0.308) 2.372 3.205 ( 3.068 -0.193 2.060) 3.701 3.278 ( -2.024 -3.057 -4.421) 5.743 3.363 ( 1.325 4.081 -0.126) 4.293 3.430 ( -6.504 2.506 1.366) 7.103 3.497 ( 1.818 0.502 -0.674) 2.003 3.556 ( -0.098 2.625 0.871) 2.768 3.628 ( -3.212 -7.776 1.648) 8.573 3.722 ( -0.457 -12.371 0.229) 12.381 3.820 ( -1.492 0.854 0.426) 1.771 3.935 ( -1.814 -11.728 0.704) 11.888 4.323 ( 0.320 1.841 -0.257) 1.887 4.355 ( 0.800 -1.581 -0.136) 1.777 4.567 ( -0.205 3.167 -1.849) 3.673 4.583 ( -1.556 1.630 -0.870) 2.415 4.848 ( -0.648 4.700 0.922) 4.833 4.868 ( 0.196 2.784 2.331) 3.636 5.005 ( 0.765 1.783 -1.588) 2.508 5.022 ( 1.282 0.758 0.388) 1.539 5.063 ( -1.839 2.499 0.240) 3.112 5.091 ( -2.090 0.740 1.505) 2.680 5.297 ( 4.590 3.827 -0.075) 5.976 5.321 ( 5.094 1.556 -0.107) 5.327 5.453 ( -4.310 6.251 -1.849) 7.815 5.512 ( -5.389 -0.347 -0.118) 5.401 5.644 ( 0.847 3.836 0.461) 3.956 5.682 ( 0.719 1.006 0.203) 1.254 5.848 ( 1.702 -1.181 -0.614) 2.161 5.859 ( 0.458 -2.262 -0.031) 2.308 6.110 ( 1.886 3.730 1.431) 4.418 6.117 ( 1.795 2.354 0.127) 2.963 6.193 ( 1.261 6.391 -1.242) 6.631 6.274 ( 0.457 -2.860 -0.331) 2.915 6.495 ( 4.491 2.470 0.943) 5.211 6.540 ( 5.954 -1.774 0.589) 6.241 6.599 ( 1.493 2.874 -0.460) 3.271 6.657 ( 3.190 -2.348 -0.571) 4.002 6.743 ( 2.205 4.326 -0.903) 4.939 6.787 ( 3.098 0.820 -1.544) 3.557 6.833 ( -0.426 1.390 0.192) 1.467 6.857 ( -2.065 -0.598 0.735) 2.272 6.944 ( -2.876 0.907 0.054) 3.016 6.952 ( -2.838 -0.206 0.386) 2.871 7.002 ( -5.251 3.902 0.558) 6.566 7.099 ( -7.918 -4.549 0.379) 9.139 7.187 ( 0.493 4.030 0.100) 4.061 7.243 ( 0.908 -1.220 0.442) 1.583 7.363 ( 0.655 -0.728 0.100) 0.984 7.368 ( 0.948 -1.110 -0.205) 1.474 7.409 ( 3.272 -0.065 -0.461) 3.305 7.426 ( 3.248 -1.741 0.372) 3.704 7.527 ( 1.683 0.984 -0.842) 2.124 7.546 ( 0.970 -0.971 0.154) 1.382 7.649 ( -2.084 2.084 -0.261) 2.959 7.695 ( -2.781 -2.070 0.503) 3.503 7.734 ( -0.677 1.134 0.100) 1.325 7.748 ( -2.233 -0.247 0.565) 2.317 7.926 ( 5.960 2.163 2.661) 6.876 8.001 ( 4.108 -4.000 2.869) 6.411 8.049 ( 3.299 1.692 -5.147) 6.343 8.081 ( -2.343 0.855 -6.995) 7.427 8.122 ( -2.550 0.181 5.517) 6.080 8.202 ( -4.653 -5.963 0.491) 7.580 8.502 ( 2.983 1.037 0.056) 3.159 8.536 ( 1.631 -2.156 -0.773) 2.812 8.627 ( -3.335 1.373 -0.065) 3.607 8.666 ( -2.265 -3.185 1.787) 4.297 8.746 ( -0.227 -1.593 -0.154) 1.617 8.768 ( 0.439 -3.093 -0.645) 3.189 8.950 ( -1.476 0.432 -0.209) 1.552 8.994 ( -1.620 -3.984 -0.499) 4.329 9.185 ( 0.213 -0.661 0.649) 0.951 9.193 ( 0.126 -1.275 0.052) 1.282 9.463 ( -0.246 1.871 -0.044) 1.888 9.513 ( -0.093 -3.209 -0.075) 3.211 10.021 ( -0.557 2.301 0.083) 2.369 10.086 ( -0.551 -4.268 -0.053) 4.303 ======================= Grid point 65 (22/56) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -4.425 0.000 25.874) 26.249 0.572 ( -0.121 0.000 28.439) 28.439 0.973 ( -4.501 0.000 47.837) 48.048 1.079 ( 4.048 0.000 -23.478) 23.824 1.089 ( -0.474 0.000 -24.030) 24.035 1.709 ( 9.522 0.000 -15.770) 18.422 1.762 ( 1.452 0.000 6.385) 6.548 2.012 ( 0.546 0.000 -0.055) 0.549 2.036 ( -16.617 0.000 1.713) 16.705 2.110 ( 1.122 0.000 0.138) 1.130 2.216 ( -9.519 0.000 4.433) 10.501 2.253 ( 10.175 0.000 -12.530) 16.141 2.331 ( 8.533 0.000 -5.669) 10.245 2.366 ( -3.264 0.000 -9.921) 10.444 2.551 ( -2.102 0.000 0.245) 2.117 2.620 ( 0.216 0.000 0.104) 0.240 2.653 ( 9.258 0.000 16.311) 18.755 2.748 ( 0.065 0.000 -0.099) 0.118 2.783 ( 0.155 0.000 0.624) 0.643 2.827 ( -1.798 0.000 -2.353) 2.961 2.945 ( -2.555 0.000 -3.168) 4.070 2.959 ( -0.015 0.000 -0.167) 0.167 3.051 ( -11.080 0.000 -9.869) 14.838 3.219 ( 1.568 0.000 0.415) 1.622 3.505 ( 1.875 0.000 -3.431) 3.909 3.658 ( -0.732 0.000 12.932) 12.953 3.878 ( 5.224 0.000 8.492) 9.970 4.090 ( 1.887 0.000 -2.360) 3.022 4.478 ( -0.701 0.000 -0.932) 1.166 4.623 ( -5.126 0.000 5.275) 7.355 4.713 ( 0.663 0.000 2.326) 2.419 4.804 ( 2.574 0.000 -3.913) 4.684 4.936 ( 1.715 0.000 -6.197) 6.430 5.071 ( -1.370 0.000 -5.865) 6.023 5.174 ( -2.126 0.000 0.384) 2.161 5.267 ( -2.339 0.000 2.314) 3.290 5.497 ( 3.656 0.000 3.855) 5.313 5.569 ( 0.285 0.000 0.955) 0.996 5.627 ( 3.670 0.000 2.397) 4.384 5.760 ( -0.744 0.000 -5.488) 5.538 5.934 ( 0.047 0.000 0.133) 0.141 5.971 ( 0.596 0.000 2.439) 2.510 6.040 ( -0.076 0.000 -0.241) 0.253 6.207 ( 0.002 0.000 0.004) 0.004 6.214 ( 8.934 0.000 0.026) 8.934 6.392 ( -1.812 0.000 0.310) 1.838 6.404 ( -0.007 0.000 0.283) 0.283 6.429 ( -1.737 0.000 -0.127) 1.741 6.465 ( 0.370 0.000 0.619) 0.722 6.501 ( 5.879 0.000 -0.254) 5.885 6.543 ( -5.228 0.000 -2.562) 5.822 6.556 ( -0.511 0.000 -1.746) 1.820 6.630 ( -0.320 0.000 0.217) 0.386 6.697 ( 0.910 0.000 2.075) 2.266 6.763 ( -0.427 0.000 -1.616) 1.672 6.794 ( 3.519 0.000 2.761) 4.473 6.859 ( -4.827 0.000 -0.244) 4.833 6.976 ( -0.166 0.000 1.563) 1.572 7.008 ( 0.205 0.000 -1.494) 1.508 7.038 ( -0.076 0.000 0.127) 0.148 7.074 ( -0.427 0.000 -2.476) 2.513 7.090 ( 0.121 0.000 -0.020) 0.122 7.154 ( -3.515 0.000 0.383) 3.536 7.218 ( -2.709 0.000 -0.263) 2.721 7.226 ( -0.016 0.000 0.056) 0.058 7.270 ( -0.102 0.000 0.114) 0.153 7.511 ( 0.112 0.000 -0.211) 0.239 7.555 ( 0.302 0.000 1.697) 1.724 7.628 ( -0.185 0.000 0.378) 0.421 7.654 ( 0.119 0.000 -0.241) 0.268 7.755 ( -4.797 0.000 -2.630) 5.470 7.804 ( 0.520 0.000 -0.540) 0.749 7.942 ( -6.200 0.000 3.367) 7.055 8.107 ( 3.360 0.000 -0.025) 3.360 8.399 ( -2.208 0.000 -0.498) 2.263 8.422 ( -0.900 0.000 -0.276) 0.941 8.616 ( -1.449 0.000 -0.343) 1.489 8.735 ( 2.297 0.000 0.151) 2.302 8.783 ( 7.818 0.000 2.088) 8.092 8.866 ( 0.135 0.000 0.220) 0.258 9.159 ( -0.854 0.000 -1.483) 1.711 9.365 ( -10.468 0.000 3.847) 11.152 9.473 ( -1.594 0.000 -4.956) 5.206 9.663 ( 0.339 0.000 1.174) 1.222 9.706 ( 5.556 0.000 0.640) 5.593 9.746 ( -0.829 0.000 -1.212) 1.468 9.879 ( -0.560 0.000 -0.298) 0.635 10.303 ( 4.269 0.000 0.550) 4.305 10.769 ( -0.569 0.000 0.425) 0.710 10.812 ( 6.458 0.000 -0.444) 6.473 ======================= Grid point 66 (23/56) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 7.014 0.000 16.779) 18.186 0.802 ( 13.222 0.000 21.629) 25.350 0.917 ( -6.886 0.000 -16.755) 18.115 1.082 ( 6.738 0.000 -20.582) 21.657 1.498 ( 27.998 0.000 26.127) 38.295 1.699 ( -12.485 0.000 10.340) 16.211 1.712 ( -8.958 0.000 -0.465) 8.971 1.911 ( -9.018 0.000 1.314) 9.113 2.005 ( -6.500 0.000 5.634) 8.602 2.025 ( 11.916 0.000 -7.706) 14.191 2.089 ( -6.203 0.000 -2.719) 6.772 2.216 ( 10.338 0.000 -28.942) 30.733 2.248 ( -15.061 0.000 11.689) 19.065 2.423 ( -19.976 0.000 2.479) 20.129 2.485 ( 7.261 0.000 -2.396) 7.647 2.577 ( 4.031 0.000 0.984) 4.149 2.669 ( 2.983 0.000 0.430) 3.014 2.689 ( -15.774 0.000 -14.090) 21.150 2.735 ( -0.892 0.000 -0.239) 0.923 2.782 ( -0.335 0.000 0.255) 0.421 2.909 ( 1.933 0.000 6.696) 6.969 2.994 ( 2.860 0.000 -0.062) 2.860 3.102 ( 14.781 0.000 -2.586) 15.005 3.383 ( 10.294 0.000 4.810) 11.362 3.463 ( 2.215 0.000 2.288) 3.185 3.916 ( 10.844 0.000 -0.234) 10.846 3.946 ( -10.156 0.000 -0.145) 10.157 4.156 ( -21.324 0.000 1.794) 21.399 4.203 ( 12.553 0.000 0.241) 12.556 4.570 ( -8.770 0.000 4.439) 9.829 4.649 ( -1.652 0.000 -0.290) 1.678 4.672 ( -14.801 0.000 -5.167) 15.677 4.856 ( -1.708 0.000 -2.724) 3.215 4.947 ( -7.598 0.000 4.944) 9.065 5.050 ( -6.026 0.000 0.225) 6.030 5.318 ( 1.775 0.000 0.023) 1.775 5.438 ( -7.119 0.000 1.255) 7.229 5.504 ( -5.857 0.000 -3.936) 7.056 5.559 ( -3.748 0.000 3.144) 4.892 5.728 ( -0.151 0.000 -0.026) 0.154 5.937 ( 0.240 0.000 -0.012) 0.240 6.038 ( 0.011 0.000 -0.000) 0.011 6.072 ( 7.018 0.000 -0.928) 7.079 6.231 ( 2.352 0.000 0.007) 2.352 6.234 ( 2.155 0.000 -1.129) 2.433 6.405 ( 0.093 0.000 0.204) 0.224 6.420 ( 3.814 0.000 -0.150) 3.817 6.455 ( -1.302 0.000 -0.317) 1.340 6.510 ( -3.183 0.000 -0.027) 3.183 6.522 ( 7.427 0.000 -5.538) 9.265 6.647 ( 1.233 0.000 0.563) 1.356 6.674 ( 2.633 0.000 5.309) 5.926 6.684 ( 11.151 0.000 0.925) 11.190 6.714 ( 0.286 0.000 -0.404) 0.495 6.769 ( 1.407 0.000 -0.169) 1.417 6.855 ( 5.452 0.000 -2.454) 5.979 6.879 ( 1.802 0.000 0.742) 1.949 6.968 ( -1.238 0.000 1.097) 1.654 6.974 ( -2.629 0.000 -1.514) 3.034 7.004 ( 0.051 0.000 -1.291) 1.292 7.031 ( -0.638 0.000 0.380) 0.742 7.087 ( -0.210 0.000 -0.123) 0.244 7.225 ( 3.485 0.000 -0.103) 3.486 7.241 ( 1.152 0.000 0.088) 1.155 7.266 ( -0.291 0.000 0.067) 0.298 7.324 ( 10.331 0.000 1.862) 10.497 7.516 ( 0.422 0.000 -0.194) 0.464 7.590 ( -4.914 0.000 7.048) 8.592 7.626 ( -0.200 0.000 0.341) 0.396 7.652 ( -0.237 0.000 -0.211) 0.317 7.690 ( 8.185 0.000 -4.635) 9.407 7.797 ( 0.017 0.000 -1.245) 1.245 7.924 ( -0.344 0.000 6.065) 6.074 8.167 ( -1.225 0.000 -2.965) 3.208 8.376 ( -3.094 0.000 -0.869) 3.214 8.454 ( 6.378 0.000 7.824) 10.094 8.530 ( -8.042 0.000 -0.479) 8.056 8.640 ( -4.738 0.000 -3.693) 6.007 8.789 ( 0.797 0.000 -0.776) 1.112 9.021 ( 1.938 0.000 -7.290) 7.543 9.028 ( -2.001 0.000 1.547) 2.529 9.387 ( -2.072 0.000 2.624) 3.343 9.442 ( 2.866 0.000 5.288) 6.015 9.661 ( 0.247 0.000 1.131) 1.157 9.768 ( 1.008 0.000 -1.162) 1.538 9.862 ( 8.199 0.000 -5.117) 9.665 9.904 ( 4.543 0.000 1.545) 4.799 10.291 ( -3.471 0.000 -3.501) 4.930 10.695 ( -4.118 0.000 -3.185) 5.205 10.768 ( -7.898 0.000 1.558) 8.050 ======================= Grid point 67 (24/56) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -8.249 0.000 5.105) 9.701 0.889 ( 19.198 0.000 6.400) 20.236 1.150 ( 15.242 0.000 10.439) 18.474 1.222 ( 9.945 0.000 -8.321) 12.967 1.435 ( -14.774 0.000 0.577) 14.786 1.542 ( 3.660 0.000 -9.129) 9.835 1.706 ( -10.899 0.000 -5.822) 12.356 1.736 ( -28.598 0.000 3.156) 28.772 1.939 ( -3.082 0.000 0.968) 3.230 1.951 ( -5.711 0.000 14.025) 15.143 1.988 ( -1.394 0.000 3.175) 3.468 1.991 ( 2.569 0.000 -6.351) 6.851 2.364 ( -9.954 0.000 -1.059) 10.010 2.512 ( 22.460 0.000 7.304) 23.618 2.601 ( 4.905 0.000 -1.034) 5.013 2.643 ( 0.014 0.000 1.028) 1.028 2.689 ( 0.364 0.000 -0.784) 0.865 2.714 ( 28.922 0.000 -9.442) 30.424 2.744 ( 1.315 0.000 0.010) 1.315 2.771 ( -0.894 0.000 0.431) 0.993 2.961 ( 5.340 0.000 -5.316) 7.535 3.042 ( 1.488 0.000 -0.020) 1.488 3.300 ( -14.105 0.000 1.850) 14.226 3.437 ( -5.543 0.000 -5.766) 7.998 3.475 ( 2.588 0.000 3.444) 4.308 3.596 ( -5.621 0.000 7.564) 9.424 3.881 ( -7.229 0.000 -8.515) 11.169 3.980 ( -6.071 0.000 -9.002) 10.858 4.342 ( -5.686 0.000 -3.449) 6.650 4.421 ( 4.735 0.000 6.436) 7.990 4.448 ( -7.021 0.000 13.351) 15.084 4.747 ( -7.821 0.000 14.261) 16.265 4.763 ( 6.607 0.000 -11.697) 13.434 4.855 ( 4.251 0.000 -0.513) 4.281 4.998 ( -2.002 0.000 -4.140) 4.599 5.237 ( -8.066 0.000 -7.437) 10.971 5.419 ( 3.823 0.000 3.485) 5.173 5.437 ( -1.395 0.000 1.642) 2.155 5.513 ( -0.313 0.000 5.049) 5.059 5.705 ( -2.320 0.000 0.161) 2.325 5.941 ( 0.100 0.000 -0.125) 0.160 6.040 ( 0.109 0.000 0.193) 0.222 6.166 ( 2.949 0.000 -5.250) 6.022 6.288 ( 2.659 0.000 -0.002) 2.659 6.313 ( 2.990 0.000 -1.912) 3.549 6.405 ( -0.367 0.000 -0.028) 0.368 6.421 ( -1.703 0.000 -1.075) 2.013 6.455 ( -1.558 0.000 1.097) 1.906 6.459 ( 0.974 0.000 -2.334) 2.529 6.572 ( -1.139 0.000 3.586) 3.762 6.665 ( 0.300 0.000 0.416) 0.513 6.717 ( 0.261 0.000 -0.705) 0.752 6.772 ( 4.439 0.000 6.027) 7.485 6.801 ( 1.327 0.000 0.090) 1.330 6.852 ( 3.803 0.000 -0.608) 3.852 6.896 ( 0.681 0.000 -0.771) 1.029 6.923 ( 1.286 0.000 -1.062) 1.668 6.939 ( -1.369 0.000 0.564) 1.480 6.987 ( 3.999 0.000 -2.642) 4.793 7.003 ( -0.026 0.000 -0.587) 0.588 7.024 ( 0.009 0.000 0.004) 0.010 7.083 ( -0.206 0.000 0.204) 0.289 7.258 ( 0.197 0.000 0.217) 0.293 7.264 ( 0.280 0.000 -0.282) 0.397 7.301 ( 4.563 0.000 -2.259) 5.092 7.420 ( -4.876 0.000 4.929) 6.934 7.523 ( 0.188 0.000 0.016) 0.189 7.615 ( 9.472 0.000 1.190) 9.547 7.624 ( 0.048 0.000 -0.012) 0.049 7.646 ( -0.279 0.000 0.013) 0.279 7.728 ( -1.953 0.000 0.042) 1.953 7.841 ( -0.725 0.000 -3.217) 3.298 7.947 ( 0.662 0.000 7.025) 7.056 8.139 ( 2.153 0.000 -1.556) 2.657 8.268 ( -5.877 0.000 -0.388) 5.890 8.368 ( -6.058 0.000 -6.574) 8.939 8.562 ( -1.793 0.000 -0.780) 1.955 8.619 ( 4.916 0.000 7.966) 9.361 8.805 ( 0.347 0.000 1.671) 1.706 8.951 ( -1.756 0.000 -6.761) 6.985 9.090 ( 3.044 0.000 -1.537) 3.410 9.299 ( -3.619 0.000 -2.046) 4.158 9.536 ( 2.320 0.000 9.451) 9.731 9.676 ( 0.156 0.000 2.062) 2.068 9.770 ( 0.356 0.000 -1.769) 1.805 9.885 ( -0.437 0.000 -6.832) 6.846 10.108 ( 10.581 0.000 -0.766) 10.609 10.210 ( -3.951 0.000 1.157) 4.117 10.607 ( -8.053 0.000 4.209) 9.087 10.634 ( -0.433 0.000 -4.458) 4.479 ======================= Grid point 68 (25/56) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 7.927 0.000 2.813) 8.411 1.017 ( -19.939 0.000 7.467) 21.291 1.141 ( -26.033 0.000 -7.958) 27.222 1.289 ( 15.848 0.000 8.105) 17.800 1.410 ( 5.104 0.000 -7.302) 8.909 1.481 ( -2.738 0.000 -6.807) 7.337 1.573 ( 15.356 0.000 6.158) 16.545 1.719 ( 0.844 0.000 5.763) 5.825 1.864 ( 11.933 0.000 2.289) 12.151 1.931 ( 2.756 0.000 1.252) 3.027 2.023 ( 3.537 0.000 0.586) 3.585 2.203 ( 12.704 0.000 -1.239) 12.764 2.260 ( -20.766 0.000 8.632) 22.488 2.395 ( -6.563 0.000 -3.621) 7.495 2.577 ( -5.523 0.000 0.494) 5.545 2.676 ( 2.127 0.000 0.375) 2.160 2.686 ( -1.053 0.000 -2.356) 2.580 2.738 ( -2.015 0.000 0.748) 2.149 2.768 ( 0.455 0.000 0.576) 0.734 2.807 ( -3.785 0.000 -2.326) 4.443 3.042 ( -1.457 0.000 -0.033) 1.457 3.069 ( -19.879 0.000 -12.083) 23.263 3.323 ( -6.113 0.000 0.220) 6.117 3.461 ( 19.081 0.000 -6.555) 20.176 3.567 ( 29.562 0.000 4.643) 29.924 3.603 ( 4.981 0.000 -10.064) 11.229 3.802 ( -9.960 0.000 3.220) 10.468 3.897 ( 7.185 0.000 -2.750) 7.694 4.173 ( -12.486 0.000 17.020) 21.108 4.344 ( -5.476 0.000 2.948) 6.219 4.539 ( 7.269 0.000 4.726) 8.671 4.741 ( -3.525 0.000 -2.143) 4.126 4.822 ( 4.589 0.000 2.778) 5.364 4.930 ( 0.868 0.000 -2.866) 2.995 5.033 ( 8.384 0.000 -8.158) 11.698 5.164 ( 5.425 0.000 -2.820) 6.114 5.392 ( -4.020 0.000 4.123) 5.758 5.454 ( -1.119 0.000 2.634) 2.862 5.563 ( 1.235 0.000 1.185) 1.711 5.707 ( 3.952 0.000 0.043) 3.953 5.940 ( -0.185 0.000 -0.042) 0.190 6.042 ( 0.044 0.000 0.051) 0.067 6.151 ( -2.825 0.000 -5.373) 6.070 6.287 ( -2.662 0.000 0.021) 2.662 6.330 ( 0.158 0.000 -3.545) 3.548 6.385 ( -7.407 0.000 3.139) 8.045 6.401 ( -0.081 0.000 0.151) 0.171 6.414 ( 1.479 0.000 -0.309) 1.510 6.467 ( 2.357 0.000 0.072) 2.358 6.569 ( -2.155 0.000 4.873) 5.329 6.665 ( -0.329 0.000 0.468) 0.573 6.713 ( -0.723 0.000 -0.471) 0.863 6.802 ( -3.019 0.000 3.573) 4.677 6.804 ( -0.922 0.000 -0.108) 0.928 6.848 ( -4.032 0.000 -0.394) 4.052 6.887 ( -3.258 0.000 -1.213) 3.477 6.926 ( 2.491 0.000 -1.858) 3.107 6.940 ( 1.330 0.000 0.508) 1.423 6.997 ( -0.297 0.000 -0.236) 0.380 7.031 ( 0.557 0.000 -0.475) 0.732 7.036 ( 0.518 0.000 -4.571) 4.601 7.079 ( -0.232 0.000 0.493) 0.545 7.259 ( -0.262 0.000 0.197) 0.328 7.264 ( -0.016 0.000 -0.378) 0.378 7.276 ( -2.663 0.000 0.204) 2.670 7.479 ( 5.798 0.000 -0.021) 5.798 7.521 ( -0.353 0.000 0.123) 0.374 7.613 ( -6.474 0.000 1.891) 6.744 7.628 ( 0.293 0.000 -0.285) 0.409 7.643 ( 0.036 0.000 0.220) 0.223 7.761 ( -0.405 0.000 -0.277) 0.491 7.787 ( -1.047 0.000 -1.202) 1.594 7.992 ( 3.033 0.000 5.633) 6.398 8.101 ( -4.340 0.000 -0.229) 4.346 8.257 ( -0.588 0.000 -0.891) 1.067 8.322 ( 7.020 0.000 -2.972) 7.623 8.528 ( -2.046 0.000 3.518) 4.070 8.703 ( 1.636 0.000 0.074) 1.637 8.827 ( 2.077 0.000 3.457) 4.033 8.899 ( -2.481 0.000 -6.217) 6.693 9.083 ( -2.228 0.000 -1.349) 2.604 9.321 ( 5.940 0.000 -3.435) 6.862 9.582 ( 0.053 0.000 7.676) 7.677 9.667 ( -2.005 0.000 3.250) 3.819 9.780 ( 1.125 0.000 -2.171) 2.445 9.847 ( -0.824 0.000 -6.895) 6.945 10.096 ( -7.378 0.000 1.008) 7.446 10.270 ( 4.361 0.000 -5.139) 6.740 10.506 ( -2.328 0.000 7.696) 8.040 10.669 ( 4.438 0.000 -2.060) 4.893 ======================= Grid point 69 (26/56) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -18.621 0.000 9.150) 20.748 0.679 ( -16.390 0.000 18.957) 25.060 0.944 ( 10.536 0.000 -17.980) 20.839 1.230 ( -6.348 0.000 -21.167) 22.098 1.406 ( -32.659 0.000 32.778) 46.271 1.640 ( 0.566 0.000 11.248) 11.262 1.652 ( 7.418 0.000 6.195) 9.665 1.864 ( 11.772 0.000 3.234) 12.208 1.867 ( 15.216 0.000 -8.692) 17.524 2.038 ( 5.545 0.000 2.396) 6.040 2.131 ( 8.321 0.000 -3.883) 9.182 2.294 ( 18.271 0.000 9.848) 20.756 2.432 ( -6.595 0.000 -4.038) 7.733 2.435 ( -8.993 0.000 0.883) 9.036 2.494 ( -5.621 0.000 -30.843) 31.351 2.592 ( 14.903 0.000 -3.747) 15.367 2.616 ( -3.734 0.000 -1.803) 4.147 2.673 ( -3.776 0.000 0.336) 3.791 2.728 ( 1.607 0.000 0.230) 1.624 2.776 ( 0.221 0.000 0.591) 0.631 2.980 ( 11.717 0.000 1.047) 11.763 2.994 ( -2.819 0.000 -0.103) 2.821 3.117 ( -9.584 0.000 -3.561) 10.225 3.427 ( -15.771 0.000 2.767) 16.012 3.513 ( -6.918 0.000 -8.745) 11.150 3.757 ( -1.587 0.000 18.155) 18.224 3.925 ( -9.517 0.000 10.361) 14.068 4.077 ( 3.243 0.000 -4.593) 5.623 4.242 ( 20.318 0.000 -4.224) 20.753 4.448 ( 19.234 0.000 8.442) 21.005 4.650 ( 2.653 0.000 0.673) 2.737 4.726 ( 5.110 0.000 6.197) 8.032 4.821 ( -0.377 0.000 -10.356) 10.363 5.030 ( 6.262 0.000 1.675) 6.482 5.181 ( 5.612 0.000 -8.361) 10.070 5.280 ( 2.174 0.000 2.151) 3.058 5.382 ( 3.950 0.000 6.620) 7.709 5.429 ( 1.282 0.000 1.696) 2.127 5.583 ( 0.716 0.000 0.429) 0.835 5.777 ( 1.543 0.000 -3.165) 3.521 5.935 ( -0.212 0.000 0.112) 0.239 6.040 ( -6.552 0.000 0.737) 6.593 6.042 ( -0.056 0.000 -0.212) 0.219 6.196 ( -7.771 0.000 3.205) 8.406 6.231 ( -2.348 0.000 0.011) 2.348 6.368 ( 1.965 0.000 -1.216) 2.310 6.402 ( 0.064 0.000 0.429) 0.434 6.443 ( 1.378 0.000 0.237) 1.398 6.477 ( -6.480 0.000 3.139) 7.200 6.528 ( 3.153 0.000 -1.084) 3.334 6.655 ( -1.094 0.000 0.168) 1.107 6.662 ( -11.900 0.000 2.253) 12.111 6.689 ( -1.011 0.000 0.943) 1.383 6.749 ( -3.636 0.000 -3.119) 4.790 6.782 ( -0.952 0.000 -0.849) 1.275 6.812 ( -6.396 0.000 1.051) 6.482 6.933 ( -1.582 0.000 -2.694) 3.124 6.969 ( 0.653 0.000 1.200) 1.366 6.999 ( 0.811 0.000 -1.006) 1.292 7.020 ( 1.946 0.000 -3.692) 4.173 7.038 ( 0.158 0.000 -0.137) 0.209 7.082 ( 0.413 0.000 0.211) 0.464 7.241 ( -1.197 0.000 0.061) 1.198 7.269 ( 0.246 0.000 -0.086) 0.261 7.289 ( 1.459 0.000 -5.405) 5.598 7.342 ( -10.747 0.000 -0.177) 10.748 7.513 ( -0.324 0.000 -0.033) 0.325 7.626 ( -8.306 0.000 2.939) 8.811 7.630 ( -0.034 0.000 0.110) 0.115 7.649 ( 0.403 0.000 -0.076) 0.410 7.715 ( 6.606 0.000 -4.412) 7.944 7.782 ( 1.039 0.000 -0.900) 1.374 8.013 ( -2.263 0.000 -0.258) 2.278 8.102 ( 3.467 0.000 -0.262) 3.477 8.340 ( 7.212 0.000 8.862) 11.426 8.462 ( 5.517 0.000 1.501) 5.718 8.493 ( -0.809 0.000 1.418) 1.633 8.695 ( -1.830 0.000 -6.780) 7.023 8.784 ( -5.588 0.000 -0.957) 5.669 8.901 ( 1.671 0.000 4.936) 5.211 9.077 ( 3.276 0.000 -3.902) 5.095 9.432 ( 5.026 0.000 -4.402) 6.681 9.588 ( -1.022 0.000 0.120) 1.029 9.647 ( -0.176 0.000 2.265) 2.272 9.779 ( -6.866 0.000 -3.312) 7.623 9.787 ( -0.827 0.000 -2.317) 2.460 9.937 ( -6.496 0.000 -0.968) 6.568 10.248 ( -2.507 0.000 -1.223) 2.789 10.588 ( 7.214 0.000 8.285) 10.985 10.759 ( 3.526 0.000 1.238) 3.737 ======================= Grid point 70 (27/56) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -4.857 14.850 19.035) 24.626 0.721 ( 2.238 17.427 18.158) 25.267 1.112 ( 5.114 4.496 -20.264) 21.378 1.171 ( -1.487 7.724 -22.886) 24.200 1.415 ( -2.512 34.446 28.741) 44.932 1.741 ( 3.073 5.950 8.058) 10.478 1.921 ( -4.482 7.710 10.324) 13.643 1.941 ( -2.000 -2.751 -2.612) 4.289 2.082 ( 6.685 8.118 -5.233) 11.746 2.188 ( -0.429 7.016 0.636) 7.058 2.260 ( -7.010 14.474 -9.669) 18.765 2.409 ( -3.881 5.898 -10.762) 12.872 2.451 ( 0.469 12.383 -5.255) 13.460 2.503 ( 7.571 13.142 -3.823) 15.641 2.648 ( 6.579 4.284 9.549) 12.362 2.698 ( -1.717 12.722 1.282) 12.901 2.793 ( 3.933 8.697 1.145) 9.614 2.878 ( -1.795 6.838 -3.300) 7.802 2.893 ( -0.356 14.150 4.428) 14.831 2.935 ( -0.914 14.304 -1.357) 14.397 2.954 ( -0.784 3.390 -0.287) 3.492 3.093 ( -6.383 11.325 -8.273) 15.409 3.145 ( -6.069 11.424 -1.417) 13.013 3.228 ( 2.221 1.990 -0.923) 3.122 3.528 ( 2.033 3.459 -3.884) 5.585 3.676 ( 0.834 1.841 8.711) 8.943 3.900 ( 3.643 3.256 10.459) 11.544 4.087 ( 2.155 0.022 -2.067) 2.986 4.487 ( -0.635 0.797 -0.434) 1.108 4.566 ( -2.678 -3.893 7.734) 9.063 4.664 ( -0.389 -4.271 4.252) 6.040 4.766 ( 1.717 -2.307 -2.935) 4.109 4.893 ( 1.905 -4.129 -5.829) 7.393 5.026 ( -1.507 -4.197 -7.135) 8.414 5.123 ( -1.305 -5.062 0.747) 5.280 5.222 ( -1.401 -4.186 2.876) 5.269 5.355 ( -1.216 -8.740 -0.945) 8.874 5.389 ( 1.773 -7.102 2.625) 7.777 5.530 ( 0.130 -4.183 0.911) 4.283 5.646 ( -1.116 -8.484 -3.088) 9.098 5.897 ( 2.239 -2.014 2.207) 3.734 5.983 ( 0.806 -4.370 1.432) 4.669 6.159 ( -1.094 0.764 -0.972) 1.651 6.270 ( 0.075 4.283 0.542) 4.318 6.335 ( 0.003 8.438 -0.330) 8.445 6.383 ( 0.187 0.197 0.213) 0.345 6.392 ( 0.260 1.352 -0.893) 1.641 6.416 ( 0.727 -4.038 -0.865) 4.193 6.488 ( 0.838 -1.644 -0.539) 1.922 6.586 ( 0.864 8.837 1.228) 8.963 6.598 ( -0.838 4.950 -1.208) 5.163 6.639 ( -0.613 7.472 -3.238) 8.166 6.699 ( -0.011 -0.953 2.344) 2.530 6.729 ( 1.758 -0.928 -0.254) 2.004 6.763 ( -2.301 -0.843 0.732) 2.558 6.822 ( 0.157 6.202 2.502) 6.690 6.895 ( 1.718 2.956 -4.771) 5.870 6.993 ( 0.843 -0.393 1.374) 1.659 7.034 ( 0.446 -1.908 0.646) 2.063 7.062 ( 0.895 3.558 -2.096) 4.225 7.073 ( -0.258 0.611 0.882) 1.104 7.132 ( 1.909 5.035 -0.958) 5.469 7.164 ( -6.063 3.548 -5.907) 9.178 7.256 ( 0.400 6.504 0.540) 6.538 7.321 ( -0.029 7.450 -0.534) 7.469 7.403 ( -0.434 7.349 -0.754) 7.400 7.526 ( 0.699 2.302 0.251) 2.419 7.595 ( -0.175 2.124 1.062) 2.381 7.639 ( -0.222 0.936 -0.407) 1.044 7.685 ( -0.314 2.730 1.109) 2.963 7.769 ( -0.196 -0.113 -3.870) 3.876 7.804 ( 0.655 0.213 0.105) 0.697 7.959 ( -3.544 0.736 0.451) 3.648 8.196 ( 2.417 6.678 -0.441) 7.115 8.427 ( -2.049 1.479 -0.201) 2.535 8.441 ( -1.128 1.896 -0.672) 2.307 8.604 ( -1.640 -1.292 -0.594) 2.170 8.710 ( 0.017 -3.445 -0.257) 3.454 8.764 ( 1.057 -2.295 0.105) 2.529 8.882 ( 4.728 1.013 -4.022) 6.290 9.147 ( 2.162 -1.453 -1.523) 3.017 9.394 ( -12.534 1.869 -0.694) 12.691 9.459 ( -0.308 -1.533 -4.111) 4.398 9.613 ( 0.756 -5.178 0.734) 5.284 9.655 ( 5.121 -5.057 -0.099) 7.198 9.684 ( -1.710 -6.036 -0.797) 6.324 9.855 ( -0.176 -2.264 -0.093) 2.273 10.186 ( 4.690 -10.130 4.105) 11.893 10.624 ( 2.839 -12.329 9.004) 15.528 10.715 ( -1.469 -5.256 -0.931) 5.536 ======================= Grid point 71 (28/56) ======================= q-point: ( 0.20 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 7.503 16.799 9.131) 20.540 0.928 ( 2.568 10.233 -1.604) 10.671 1.024 ( 6.011 12.035 7.393) 15.350 1.250 ( 9.004 11.245 -20.598) 25.136 1.608 ( -6.042 1.471 7.712) 9.907 1.754 ( 15.532 18.420 13.167) 27.458 1.851 ( -10.195 7.931 2.415) 13.141 1.990 ( 4.496 5.850 6.826) 10.051 2.093 ( -9.729 6.914 1.859) 12.080 2.108 ( -4.325 11.895 -0.541) 12.669 2.153 ( 0.440 9.609 5.135) 10.904 2.322 ( 4.060 10.955 -15.181) 19.156 2.373 ( -2.466 13.556 -5.062) 14.679 2.507 ( -19.376 9.815 1.485) 21.771 2.598 ( 0.014 8.400 -3.639) 9.154 2.699 ( -3.530 6.851 -8.914) 11.784 2.730 ( -0.430 11.362 -0.758) 11.395 2.784 ( -0.655 9.255 0.261) 9.282 2.905 ( 0.245 10.409 -0.274) 10.415 2.925 ( -0.934 16.269 -0.443) 16.301 2.992 ( -0.464 9.472 3.884) 10.247 3.107 ( 3.142 10.973 -1.215) 11.478 3.135 ( 13.261 5.407 -2.361) 14.514 3.407 ( 9.779 2.874 4.908) 11.313 3.464 ( 1.551 0.624 2.154) 2.727 3.916 ( 3.163 -0.310 -8.155) 8.752 3.961 ( -0.149 2.305 6.587) 6.980 4.158 ( -21.575 0.251 2.526) 21.724 4.218 ( 11.534 1.862 -0.106) 11.684 4.544 ( -10.413 -2.351 3.551) 11.250 4.621 ( -1.213 -2.433 -0.810) 2.837 4.646 ( -9.985 -1.853 -1.735) 10.303 4.848 ( -1.627 -0.567 -4.106) 4.453 4.902 ( -6.922 -4.082 4.578) 9.249 5.012 ( -5.306 -3.669 -0.172) 6.453 5.284 ( 1.892 -3.346 -0.696) 3.906 5.315 ( -2.584 -7.695 1.467) 8.249 5.413 ( -0.330 -5.496 0.319) 5.515 5.511 ( -2.455 -3.584 0.104) 4.345 5.637 ( 1.061 -7.527 0.588) 7.624 5.965 ( 3.549 -1.863 -2.478) 4.712 6.033 ( 2.799 -1.542 -0.529) 3.239 6.171 ( 3.458 -0.071 0.597) 3.509 6.284 ( 0.981 8.151 -0.052) 8.210 6.294 ( -1.161 7.811 -0.184) 7.899 6.406 ( 2.145 -0.882 -3.308) 4.040 6.440 ( 1.715 0.312 0.497) 1.813 6.473 ( 4.077 0.962 0.468) 4.215 6.561 ( -2.497 1.703 2.114) 3.689 6.588 ( 1.995 3.603 -4.095) 5.808 6.623 ( 3.660 0.127 0.492) 3.695 6.651 ( 5.519 0.734 0.294) 5.575 6.701 ( 0.809 2.248 2.750) 3.643 6.735 ( -0.072 0.637 -1.593) 1.717 6.792 ( 3.042 0.221 1.540) 3.416 6.853 ( 1.201 1.557 2.576) 3.240 6.920 ( 1.771 2.823 -4.458) 5.566 7.008 ( -1.085 2.091 -2.916) 3.749 7.016 ( -1.574 2.649 2.237) 3.808 7.043 ( 0.575 2.961 -0.730) 3.104 7.088 ( 1.013 2.495 -0.356) 2.716 7.102 ( -0.555 3.972 0.480) 4.039 7.178 ( 2.330 1.136 0.553) 2.650 7.289 ( 2.389 4.545 -2.412) 5.673 7.316 ( -0.308 6.512 -0.115) 6.520 7.399 ( 0.216 2.586 1.616) 3.057 7.556 ( 0.446 2.209 1.810) 2.891 7.602 ( -0.483 3.307 2.103) 3.949 7.645 ( 0.786 1.202 0.878) 1.683 7.662 ( -0.566 1.748 -0.209) 1.849 7.731 ( 0.327 1.556 -3.472) 3.819 7.810 ( 1.218 1.666 -2.419) 3.180 7.932 ( -0.438 0.678 6.066) 6.120 8.201 ( -2.859 3.763 -4.078) 6.242 8.385 ( -3.555 0.695 -0.598) 3.671 8.463 ( 4.400 0.429 7.570) 8.766 8.543 ( -6.028 1.232 0.213) 6.156 8.627 ( -4.712 -1.303 -2.763) 5.615 8.752 ( 1.463 -3.657 -0.499) 3.971 8.996 ( 4.584 -2.716 -4.804) 7.174 9.041 ( -6.092 1.458 -3.404) 7.129 9.349 ( -1.627 -3.949 4.607) 6.282 9.433 ( 0.599 -0.945 3.529) 3.702 9.623 ( 0.483 -3.862 1.116) 4.049 9.717 ( 2.017 -5.291 -1.083) 5.765 9.794 ( 9.666 -7.296 -2.651) 12.397 9.868 ( 1.480 -2.921 -0.348) 3.293 10.196 ( -2.856 -9.000 -3.671) 10.131 10.605 ( -4.766 -10.976 2.407) 12.206 10.666 ( -3.720 -5.370 0.716) 6.572 ======================= Grid point 72 (29/56) ======================= q-point: ( 0.40 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -5.794 7.624 1.833) 9.750 1.013 ( 12.782 12.588 8.851) 20.005 1.363 ( 16.021 16.642 11.545) 25.825 1.400 ( 11.629 10.985 -13.402) 20.869 1.552 ( -0.346 7.907 -4.730) 9.220 1.589 ( -9.520 9.370 2.263) 13.548 1.761 ( -20.706 7.434 0.255) 22.002 1.914 ( -10.958 8.191 1.867) 13.808 1.965 ( 2.794 6.658 -1.630) 7.402 2.048 ( -4.438 12.731 -3.073) 13.828 2.084 ( -8.580 10.906 -0.330) 13.881 2.239 ( 0.056 20.615 5.520) 21.342 2.384 ( -10.412 3.170 -4.253) 11.686 2.591 ( 17.245 10.263 6.374) 21.056 2.619 ( 12.259 4.623 -1.763) 13.220 2.729 ( 1.900 8.196 2.293) 8.720 2.757 ( 7.644 8.661 2.775) 11.880 2.833 ( 1.409 12.454 -0.728) 12.554 2.873 ( -1.313 12.620 -1.298) 12.755 2.976 ( 6.768 13.934 1.598) 15.573 3.042 ( 7.902 9.715 -10.896) 16.599 3.151 ( 1.916 10.378 0.243) 10.556 3.348 ( -7.721 5.113 -0.677) 9.285 3.450 ( -5.591 -0.182 2.375) 6.077 3.484 ( -1.474 3.420 -3.944) 5.424 3.607 ( -5.485 1.192 7.997) 9.770 3.911 ( -4.548 3.011 -5.924) 8.052 3.993 ( -5.939 1.601 -9.919) 11.672 4.304 ( -5.053 -3.470 -3.058) 6.850 4.410 ( -0.925 -1.334 8.143) 8.303 4.465 ( -3.921 2.336 11.172) 12.069 4.722 ( -5.163 -2.118 6.664) 8.692 4.754 ( 7.151 -0.731 -6.650) 9.792 4.834 ( 2.564 -2.041 -0.039) 3.277 4.969 ( -2.050 -2.567 -3.299) 4.655 5.177 ( -6.927 -5.439 -6.611) 11.012 5.365 ( 2.248 -4.437 2.875) 5.745 5.414 ( 1.042 -1.628 2.725) 3.341 5.487 ( 0.546 -2.288 2.624) 3.524 5.645 ( -1.089 -4.962 2.231) 5.548 6.015 ( 2.273 0.443 -3.326) 4.053 6.065 ( 0.658 1.746 -1.096) 2.164 6.247 ( 2.254 -1.404 -1.252) 2.936 6.264 ( -0.903 8.170 -1.720) 8.398 6.329 ( 1.807 2.722 -0.435) 3.296 6.412 ( -0.318 -3.122 -1.600) 3.522 6.464 ( 0.694 4.402 -0.267) 4.464 6.506 ( -0.215 6.563 0.350) 6.576 6.532 ( -0.566 4.386 1.813) 4.779 6.607 ( 0.839 3.387 1.446) 3.778 6.660 ( -0.007 -1.319 -0.178) 1.331 6.701 ( -0.505 0.777 -1.087) 1.428 6.776 ( 3.301 -2.324 1.186) 4.208 6.782 ( 3.705 -4.647 1.469) 6.122 6.837 ( -0.150 2.613 0.177) 2.623 6.871 ( 1.202 -1.836 0.887) 2.367 6.939 ( 0.960 3.417 -1.818) 3.988 7.002 ( 1.953 2.372 0.038) 3.072 7.009 ( -0.549 4.791 0.129) 4.824 7.053 ( 0.543 4.057 -1.472) 4.350 7.086 ( -0.994 5.791 1.549) 6.076 7.104 ( 0.555 3.054 -0.113) 3.106 7.239 ( 3.125 -1.318 -1.314) 3.637 7.294 ( -1.863 0.943 -1.313) 2.467 7.319 ( 0.023 3.539 1.035) 3.687 7.408 ( 1.010 -0.412 1.221) 1.638 7.538 ( -1.046 1.021 1.570) 2.145 7.633 ( 0.253 1.140 0.152) 1.178 7.663 ( 1.710 3.469 -0.162) 3.871 7.679 ( 2.064 3.076 -0.495) 3.737 7.720 ( 0.123 -0.159 0.885) 0.908 7.833 ( -0.661 -0.593 -2.954) 3.085 7.956 ( 0.394 0.778 8.273) 8.319 8.150 ( 0.422 1.018 -2.283) 2.535 8.282 ( -4.558 1.270 -1.454) 4.950 8.382 ( -6.269 1.465 -5.320) 8.351 8.561 ( -2.013 -0.230 -0.113) 2.029 8.612 ( 5.002 -0.582 6.836) 8.490 8.780 ( 0.685 -2.512 1.801) 3.166 8.945 ( -2.408 -0.584 -6.836) 7.271 9.065 ( 3.238 -2.380 -1.292) 4.221 9.273 ( -3.481 -2.728 -2.015) 4.860 9.492 ( 1.649 -4.276 8.750) 9.878 9.640 ( 0.277 -3.532 2.124) 4.130 9.730 ( 0.556 -4.107 -1.976) 4.591 9.860 ( -0.262 -2.404 -6.124) 6.584 10.006 ( 9.083 -10.117 -0.187) 13.597 10.118 ( -3.718 -8.954 -0.093) 9.696 10.514 ( -5.365 -8.838 4.346) 11.215 10.594 ( -1.454 -3.692 -2.963) 4.952 ======================= Grid point 73 (30/56) ======================= q-point: (-0.40 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 6.103 8.099 1.526) 10.256 1.144 ( -14.048 7.221 11.176) 19.349 1.241 ( -17.557 9.930 -10.478) 22.730 1.373 ( 2.177 12.546 7.990) 15.032 1.606 ( -5.307 7.899 -7.299) 11.993 1.664 ( 13.206 18.862 -3.403) 23.276 1.748 ( 4.177 15.162 -0.820) 15.748 1.830 ( 2.793 13.514 5.314) 14.787 1.878 ( 13.251 2.954 1.978) 13.719 2.039 ( 1.458 9.340 1.657) 9.597 2.152 ( 7.515 8.368 -0.805) 11.276 2.289 ( -1.437 4.196 3.544) 5.677 2.344 ( 10.772 14.086 -4.984) 18.420 2.462 ( -27.938 12.879 6.204) 31.383 2.662 ( -4.164 7.782 -0.429) 8.836 2.761 ( 0.889 7.915 -0.307) 7.971 2.792 ( 2.056 8.307 1.508) 8.689 2.824 ( 0.400 11.104 2.601) 11.412 2.885 ( -1.282 11.974 -2.173) 12.237 2.915 ( -3.907 10.736 -0.929) 11.463 3.131 ( -4.157 8.760 -3.195) 10.209 3.168 ( -13.273 9.611 -4.959) 17.121 3.326 ( -5.147 0.486 0.909) 5.250 3.541 ( 15.010 7.728 -6.594) 18.125 3.601 ( 7.037 2.221 -13.219) 15.139 3.613 ( 26.165 3.379 3.445) 26.606 3.857 ( -9.537 5.049 0.908) 10.829 3.894 ( 7.893 0.345 -1.573) 8.056 4.172 ( -10.805 0.010 15.790) 19.133 4.318 ( -6.862 -1.882 5.489) 8.987 4.506 ( 6.786 -3.077 4.327) 8.617 4.728 ( -3.827 -1.227 -2.083) 4.527 4.829 ( 4.363 0.811 3.077) 5.400 4.888 ( 0.446 -3.922 -3.959) 5.590 4.998 ( 8.163 -2.992 -6.917) 11.109 5.117 ( 4.536 -4.309 -3.225) 7.039 5.361 ( -2.459 -2.855 2.278) 4.403 5.430 ( -1.645 -1.908 3.788) 4.549 5.505 ( -0.022 -5.047 0.561) 5.078 5.670 ( 3.135 -3.141 0.925) 4.533 6.011 ( -2.620 0.766 -4.062) 4.894 6.050 ( -1.460 -0.824 0.041) 1.677 6.238 ( -0.038 10.573 -1.393) 10.664 6.280 ( 2.082 -3.029 -2.483) 4.436 6.325 ( -2.371 2.188 -0.477) 3.261 6.365 ( -4.413 -1.370 2.336) 5.178 6.477 ( 0.461 5.611 -0.785) 5.684 6.496 ( -0.191 7.520 -0.206) 7.525 6.546 ( 0.403 4.416 2.081) 4.899 6.602 ( -2.205 4.912 1.795) 5.676 6.641 ( -1.026 -2.522 1.149) 2.955 6.708 ( 0.874 -0.232 -0.737) 1.166 6.776 ( -3.118 -3.900 1.067) 5.106 6.788 ( -3.027 -4.080 -1.312) 5.247 6.837 ( -0.369 2.200 0.051) 2.232 6.864 ( -1.812 -0.472 2.144) 2.847 6.950 ( 0.025 3.209 -1.975) 3.768 7.003 ( -0.162 3.256 -0.408) 3.285 7.033 ( 0.512 2.290 -0.867) 2.502 7.043 ( -0.891 2.670 -0.537) 2.866 7.087 ( 0.319 3.283 0.951) 3.433 7.113 ( 0.046 5.590 -0.359) 5.602 7.242 ( 0.509 0.526 -1.494) 1.664 7.281 ( -0.136 0.632 -0.057) 0.649 7.323 ( 0.042 4.467 0.123) 4.469 7.426 ( -0.536 -2.840 0.045) 2.891 7.570 ( 4.537 1.710 -1.046) 4.960 7.635 ( -3.208 2.007 1.507) 4.073 7.640 ( -0.015 1.037 0.101) 1.042 7.678 ( 0.103 3.372 -0.015) 3.374 7.765 ( -1.705 0.633 -0.994) 2.072 7.783 ( -1.324 -0.211 -0.162) 1.351 8.002 ( 2.480 1.031 7.292) 7.771 8.126 ( -2.156 1.650 -3.159) 4.166 8.262 ( 0.330 0.746 0.176) 0.835 8.341 ( 6.372 2.001 -2.909) 7.285 8.527 ( -1.957 0.029 3.594) 4.093 8.694 ( 1.604 -0.878 -0.423) 1.877 8.803 ( 2.031 -2.288 3.328) 4.521 8.885 ( -2.608 -1.324 -5.469) 6.202 9.066 ( -1.841 -1.576 -1.666) 2.941 9.291 ( 5.762 -3.017 -3.363) 7.322 9.534 ( 0.350 -4.817 7.327) 8.776 9.633 ( -1.772 -3.280 2.585) 4.537 9.737 ( 0.665 -4.352 -2.249) 4.944 9.826 ( -0.896 -2.028 -5.866) 6.271 10.006 ( -6.412 -8.805 0.669) 10.913 10.143 ( 2.651 -11.939 -3.134) 12.625 10.446 ( -1.735 -6.043 7.393) 9.705 10.619 ( 4.100 -4.611 -2.395) 6.618 ======================= Grid point 74 (31/56) ======================= q-point: (-0.20 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -14.409 16.248 3.124) 21.940 0.845 ( -12.420 12.149 14.028) 22.330 1.007 ( 5.164 7.604 -10.599) 14.030 1.371 ( -9.510 9.565 -17.786) 22.322 1.600 ( 0.117 13.664 15.516) 20.675 1.687 ( -7.548 9.830 8.436) 14.993 1.832 ( -2.592 10.122 5.211) 11.676 1.897 ( 2.698 18.964 6.815) 20.331 2.052 ( 0.368 1.280 0.838) 1.574 2.077 ( 11.599 11.646 0.190) 16.438 2.245 ( 9.664 8.866 -5.190) 14.104 2.330 ( 12.838 3.889 11.769) 17.845 2.404 ( 3.740 6.146 -3.490) 7.997 2.557 ( -7.080 11.510 -13.480) 19.087 2.610 ( -2.361 10.772 -9.956) 14.857 2.645 ( 8.392 6.460 -3.518) 11.159 2.761 ( -1.655 9.738 -1.756) 10.032 2.797 ( 0.092 13.533 -2.277) 13.724 2.882 ( -0.966 12.105 1.218) 12.205 2.936 ( -2.967 13.820 2.033) 14.280 3.040 ( 14.576 9.112 -0.752) 17.206 3.084 ( -5.698 7.245 -1.308) 9.310 3.177 ( -5.223 7.988 -2.419) 9.845 3.462 ( -16.087 3.853 1.976) 16.660 3.523 ( -5.777 1.587 -10.932) 12.466 3.785 ( -2.739 2.857 11.786) 12.433 3.952 ( -10.350 3.560 14.582) 18.233 4.070 ( 1.987 -0.167 -3.519) 4.045 4.240 ( 20.364 -0.033 -5.047) 20.980 4.417 ( 18.756 -2.717 8.974) 20.969 4.617 ( 1.503 -2.954 0.324) 3.330 4.698 ( 5.055 -2.126 6.507) 8.510 4.803 ( -1.763 -1.392 -10.120) 10.366 4.998 ( 5.767 -3.027 2.014) 6.818 5.111 ( 4.487 -5.661 -7.803) 10.634 5.231 ( 2.531 -4.611 2.048) 5.645 5.338 ( 1.757 -3.584 3.289) 5.172 5.388 ( -2.311 -3.012 -0.595) 3.843 5.519 ( 1.067 -5.286 -0.102) 5.393 5.689 ( -1.602 -7.141 -2.937) 7.886 5.918 ( -4.437 -3.059 0.419) 5.406 6.009 ( -2.817 -2.256 1.298) 3.836 6.209 ( -3.729 3.216 -1.986) 5.310 6.284 ( -0.120 6.188 -0.246) 6.194 6.294 ( 0.463 9.699 0.808) 9.743 6.337 ( 1.920 -1.662 -0.452) 2.579 6.441 ( -4.483 -0.414 2.406) 5.105 6.481 ( -1.714 3.609 -0.734) 4.062 6.533 ( -1.449 4.788 0.509) 5.028 6.587 ( -2.282 0.582 1.573) 2.832 6.610 ( -0.415 4.797 0.192) 4.819 6.698 ( -3.977 -2.397 -3.081) 5.572 6.705 ( -0.954 0.226 -0.233) 1.007 6.717 ( -1.772 -0.185 0.879) 1.986 6.813 ( -2.060 0.999 0.354) 2.317 6.837 ( -1.820 3.596 2.827) 4.923 6.905 ( -2.095 2.441 -2.476) 4.059 6.999 ( -0.643 -2.205 -1.180) 2.582 7.022 ( 0.007 2.173 0.437) 2.217 7.052 ( 1.000 2.652 -0.403) 2.863 7.078 ( -1.186 2.162 0.428) 2.503 7.111 ( 0.496 4.987 -0.338) 5.023 7.238 ( -1.045 3.105 -2.336) 4.024 7.297 ( 0.484 3.310 -2.401) 4.117 7.327 ( 0.502 4.326 -3.014) 5.297 7.403 ( -1.091 2.627 1.591) 3.259 7.543 ( -3.436 2.718 2.018) 4.823 7.635 ( -0.549 1.164 -0.550) 1.399 7.652 ( -3.920 1.839 -0.069) 4.331 7.675 ( 1.082 2.173 1.369) 2.787 7.727 ( 3.725 1.331 -4.008) 5.631 7.780 ( 1.045 -0.112 0.111) 1.057 8.020 ( -2.877 -0.123 0.193) 2.886 8.134 ( 4.623 3.122 -1.692) 5.829 8.364 ( 6.970 1.366 5.454) 8.955 8.466 ( 0.693 -0.047 1.683) 1.821 8.534 ( 6.759 2.783 1.138) 7.397 8.695 ( 0.354 -0.612 -4.555) 4.609 8.770 ( -6.050 -0.797 -4.589) 7.635 8.876 ( 1.471 -2.449 4.862) 5.640 9.063 ( 3.194 -1.306 -3.384) 4.833 9.407 ( 5.842 -2.802 -4.176) 7.709 9.551 ( -0.110 -3.612 0.325) 3.628 9.611 ( -0.585 -3.584 2.031) 4.160 9.733 ( -0.965 -5.327 -1.315) 5.571 9.748 ( -8.422 -3.590 -4.884) 10.377 9.883 ( -3.684 -4.855 -0.547) 6.119 10.116 ( -2.271 -11.217 3.392) 11.936 10.508 ( 4.426 -7.030 8.595) 11.953 10.699 ( 3.273 -5.450 -0.463) 6.374 ======================= Grid point 75 (32/56) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -1.333 21.910 9.703) 23.999 1.141 ( 2.673 22.481 5.097) 23.206 1.281 ( 2.168 12.903 -12.410) 18.033 1.349 ( -1.799 12.362 -13.468) 18.370 1.835 ( -6.555 10.399 4.282) 13.017 1.935 ( 3.122 6.458 -1.797) 7.395 2.043 ( 0.754 7.584 2.411) 7.994 2.228 ( 0.696 30.211 15.244) 33.846 2.330 ( 0.201 16.605 5.114) 17.376 2.386 ( -1.273 14.568 3.701) 15.085 2.546 ( -3.688 12.706 2.712) 13.505 2.613 ( 2.232 12.664 -2.032) 13.019 2.694 ( 4.632 7.777 -0.663) 9.076 2.771 ( 0.342 13.534 0.909) 13.569 2.855 ( 1.255 6.672 -1.341) 6.920 2.888 ( 4.934 19.042 -15.415) 24.991 2.930 ( -4.353 10.732 -0.967) 11.621 3.048 ( -2.231 8.717 -4.258) 9.955 3.144 ( -0.093 15.112 0.936) 15.141 3.209 ( 2.182 8.053 -2.443) 8.694 3.233 ( -1.173 16.362 1.225) 16.450 3.335 ( -6.199 17.550 -0.006) 18.613 3.376 ( 0.402 13.817 -7.187) 15.579 3.521 ( -0.794 25.289 0.569) 25.308 3.701 ( -3.899 15.222 -0.926) 15.741 3.716 ( 6.491 2.817 2.117) 7.386 4.022 ( -1.186 8.940 9.036) 12.767 4.120 ( 4.278 4.595 -1.681) 6.499 4.484 ( -5.813 -2.110 5.196) 8.077 4.501 ( 7.259 -3.715 1.350) 8.266 4.584 ( -2.403 -1.768 5.678) 6.414 4.725 ( -0.619 -2.131 1.107) 2.480 4.800 ( 2.963 -4.668 -4.517) 7.140 4.945 ( -2.677 -2.826 -9.274) 10.058 4.999 ( 0.555 -7.136 2.036) 7.442 5.129 ( -0.555 -5.002 2.978) 5.848 5.249 ( -2.267 -2.994 -3.639) 5.230 5.298 ( 0.585 -2.703 1.135) 2.989 5.429 ( 0.463 -5.819 0.017) 5.837 5.473 ( -0.678 -8.776 -2.194) 9.071 5.855 ( 2.695 -2.194 2.464) 4.260 5.916 ( -0.247 -2.636 0.296) 2.664 6.113 ( -1.160 -4.906 0.158) 5.043 6.259 ( -0.054 -7.250 0.256) 7.255 6.298 ( 0.055 -6.074 -3.986) 7.265 6.374 ( 0.046 5.799 -0.230) 5.804 6.410 ( 0.736 -2.126 0.209) 2.259 6.479 ( 0.370 4.208 0.169) 4.228 6.585 ( -0.465 4.871 0.842) 4.965 6.606 ( -2.767 -1.734 1.625) 3.647 6.637 ( 2.198 -3.368 -1.401) 4.258 6.713 ( -0.509 4.603 -0.812) 4.701 6.732 ( 0.335 1.349 -0.845) 1.626 6.761 ( 2.024 5.529 3.558) 6.879 6.793 ( -0.857 3.134 1.491) 3.575 6.848 ( -0.866 -2.686 -1.900) 3.402 6.995 ( -1.116 7.672 0.084) 7.754 7.020 ( -0.482 0.067 0.616) 0.785 7.042 ( 4.558 4.907 3.059) 7.363 7.117 ( -0.401 2.804 0.256) 2.844 7.133 ( -2.075 4.040 -4.179) 6.172 7.240 ( -0.153 5.009 -2.431) 5.570 7.258 ( -0.896 6.403 -0.605) 6.493 7.333 ( 0.341 2.722 1.700) 3.227 7.489 ( -0.923 7.145 -0.708) 7.239 7.510 ( 0.697 3.866 -0.834) 4.015 7.591 ( 0.791 2.306 1.645) 2.942 7.621 ( -0.430 2.175 0.397) 2.252 7.646 ( 0.363 -0.257 -2.563) 2.601 7.732 ( -1.097 2.024 0.841) 2.451 7.764 ( -0.054 0.624 -0.913) 1.107 7.810 ( 1.671 0.033 -0.348) 1.707 7.965 ( -1.943 0.502 1.014) 2.249 8.313 ( 3.200 5.194 2.512) 6.597 8.426 ( -0.846 -1.854 3.036) 3.657 8.472 ( 0.175 0.089 -1.627) 1.639 8.571 ( -3.380 -1.736 -1.159) 3.973 8.607 ( 2.051 -6.060 -1.567) 6.587 8.705 ( -3.232 -3.319 1.524) 4.877 8.874 ( 3.570 -1.728 -6.006) 7.197 9.102 ( 3.386 -3.001 0.045) 4.524 9.389 ( -9.668 -2.896 -1.764) 10.245 9.409 ( 0.594 -4.175 -2.331) 4.819 9.468 ( 1.412 -9.289 -1.586) 9.529 9.529 ( 2.507 -7.037 -2.059) 7.748 9.539 ( -1.729 -8.394 0.168) 8.571 9.802 ( 0.218 -3.049 0.312) 3.072 9.984 ( 3.243 -9.977 5.759) 11.968 10.410 ( 0.134 -9.969 6.224) 11.753 10.596 ( -0.501 -6.686 -1.794) 6.940 ======================= Grid point 76 (33/56) ======================= q-point: ( 0.20 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.818 19.071 1.590) 19.155 1.223 ( 1.338 17.429 -0.342) 17.484 1.315 ( 11.774 18.772 8.331) 23.673 1.418 ( 8.128 8.237 -14.419) 18.488 1.721 ( -3.224 11.848 2.154) 12.466 1.921 ( -6.428 4.336 5.957) 9.778 2.056 ( 2.082 8.786 -8.248) 12.230 2.247 ( -8.032 11.354 -0.560) 13.918 2.284 ( -5.178 13.567 5.347) 15.475 2.390 ( -3.838 16.573 2.264) 17.162 2.496 ( -0.505 19.748 8.457) 21.489 2.618 ( 4.689 23.655 7.163) 25.157 2.689 ( 2.436 13.832 -4.834) 14.854 2.747 ( -11.824 8.375 -9.083) 17.101 2.776 ( -3.422 15.146 4.147) 16.072 2.870 ( -0.478 8.230 0.550) 8.262 2.933 ( 0.201 10.056 0.867) 10.095 3.044 ( 5.534 15.196 -9.688) 18.852 3.116 ( 1.207 14.925 -1.461) 15.045 3.219 ( 2.001 13.143 -1.626) 13.394 3.287 ( 2.416 15.005 0.060) 15.198 3.352 ( 7.641 15.695 -4.771) 18.096 3.438 ( -0.441 18.588 2.212) 18.724 3.534 ( 3.759 14.871 3.088) 15.646 3.561 ( -1.494 13.668 2.061) 13.903 3.921 ( 3.262 1.267 -6.083) 7.018 4.026 ( 1.153 3.939 4.543) 6.122 4.177 ( -17.693 2.266 1.492) 17.900 4.280 ( 4.708 3.879 -0.601) 6.129 4.498 ( -7.978 -2.033 4.486) 9.376 4.571 ( -2.002 -1.478 -5.081) 5.658 4.645 ( -1.481 2.273 5.838) 6.438 4.807 ( -5.616 -4.388 -4.791) 8.588 4.850 ( -0.857 0.439 3.506) 3.636 4.929 ( -4.003 -4.066 -0.955) 5.785 5.166 ( -2.204 -7.874 -1.430) 8.301 5.236 ( 2.598 -1.737 1.596) 3.509 5.328 ( 1.998 -2.955 0.136) 3.570 5.428 ( -0.082 -5.152 -1.171) 5.284 5.488 ( 2.460 -6.950 1.308) 7.487 5.908 ( 2.951 -3.429 -3.066) 5.465 5.981 ( 4.833 -3.120 0.176) 5.755 6.132 ( 2.179 -3.678 1.933) 4.692 6.275 ( 1.305 -6.567 -3.348) 7.486 6.340 ( 4.772 -7.526 -0.183) 8.913 6.400 ( 1.862 4.034 -0.054) 4.444 6.462 ( 0.703 0.218 3.390) 3.470 6.521 ( 3.833 -2.220 -2.620) 5.146 6.570 ( 1.267 -0.128 1.798) 2.203 6.595 ( 0.348 6.947 -0.831) 7.005 6.656 ( -0.861 -1.732 0.567) 2.015 6.704 ( 0.926 0.066 -0.744) 1.190 6.740 ( 2.090 4.112 -1.009) 4.722 6.787 ( -1.044 4.987 -0.408) 5.111 6.818 ( 2.053 3.659 2.797) 5.042 6.892 ( 4.374 -1.267 -0.130) 4.555 6.969 ( -0.536 3.669 1.209) 3.900 7.032 ( 1.160 1.158 1.327) 2.109 7.053 ( -2.379 3.126 -4.881) 6.265 7.127 ( 1.611 4.547 -0.685) 4.873 7.131 ( 1.593 4.368 2.668) 5.361 7.223 ( -0.060 6.942 -0.566) 6.965 7.280 ( 0.726 6.558 0.875) 6.656 7.365 ( 2.752 2.470 -2.646) 4.547 7.406 ( -5.829 0.454 0.970) 5.927 7.475 ( -1.796 6.914 0.149) 7.145 7.592 ( -0.916 2.912 1.289) 3.314 7.654 ( -0.373 -0.626 0.198) 0.755 7.692 ( 2.319 3.560 -1.877) 4.645 7.701 ( 1.477 1.948 0.240) 2.457 7.746 ( -1.423 1.310 0.078) 1.936 7.831 ( 0.876 0.411 -2.955) 3.109 7.946 ( -0.520 1.045 5.418) 5.542 8.294 ( -6.113 4.509 -3.706) 8.452 8.384 ( -3.129 -1.406 0.215) 3.437 8.455 ( 0.917 -1.405 3.497) 3.879 8.560 ( 0.687 -0.105 -1.686) 1.823 8.601 ( -5.808 -0.863 2.495) 6.380 8.667 ( 3.073 -4.213 0.535) 5.242 8.930 ( 3.724 -3.802 -5.328) 7.531 9.066 ( -5.703 0.606 -6.582) 8.730 9.246 ( -3.577 -6.237 5.579) 9.101 9.398 ( -1.448 -3.096 2.644) 4.321 9.522 ( 1.329 -6.295 0.161) 6.436 9.562 ( 4.741 -10.508 0.224) 11.530 9.612 ( 5.749 -10.058 -1.107) 11.638 9.803 ( 0.137 -3.737 -0.908) 3.849 9.991 ( -2.861 -10.997 -1.882) 11.518 10.381 ( -4.096 -10.827 4.775) 12.522 10.558 ( -2.612 -6.093 -1.145) 6.728 ======================= Grid point 77 (34/56) ======================= q-point: ( 0.40 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -2.639 18.181 -0.026) 18.372 1.313 ( 1.402 16.200 7.410) 17.869 1.508 ( 9.431 5.320 -9.012) 14.088 1.662 ( 13.890 13.854 8.914) 21.548 1.757 ( 0.255 10.385 0.437) 10.398 1.821 ( 3.497 14.183 -0.566) 14.618 1.956 ( -15.013 11.292 -0.593) 18.795 2.105 ( -8.620 12.274 0.769) 15.018 2.123 ( 2.679 9.712 -5.039) 11.264 2.302 ( -3.857 11.534 2.923) 12.508 2.364 ( -10.670 14.544 -7.743) 19.629 2.492 ( -8.543 8.803 -8.533) 14.943 2.694 ( -1.895 20.645 6.338) 21.679 2.788 ( 3.532 9.482 3.320) 10.649 2.865 ( 3.460 12.740 2.269) 13.396 2.927 ( 1.032 11.117 1.658) 11.287 3.022 ( 16.922 19.873 9.860) 27.901 3.107 ( 1.985 15.817 0.521) 15.950 3.172 ( 1.924 11.447 -2.010) 11.780 3.303 ( 7.017 18.598 -1.238) 19.916 3.325 ( 1.469 21.665 -7.662) 23.026 3.401 ( -1.673 10.545 2.817) 11.042 3.479 ( -0.129 14.068 -3.092) 14.404 3.559 ( 7.442 15.370 -6.832) 18.393 3.615 ( -9.678 8.332 3.408) 13.217 3.677 ( -9.830 9.620 5.262) 14.726 3.987 ( 1.698 4.413 -0.443) 4.749 4.041 ( -5.037 2.685 -9.052) 10.702 4.244 ( -4.510 -1.247 -1.873) 5.040 4.380 ( -4.615 -1.282 6.501) 8.075 4.547 ( -6.882 5.764 8.361) 12.268 4.693 ( 2.001 -0.371 -0.884) 2.218 4.732 ( 6.969 -1.593 -4.314) 8.349 4.790 ( -2.488 -1.817 0.737) 3.168 4.922 ( -0.295 -1.520 0.062) 1.550 5.061 ( -5.045 -5.925 -4.340) 8.910 5.286 ( 1.101 -3.218 1.967) 3.929 5.387 ( 3.152 -1.011 1.396) 3.593 5.421 ( -0.384 -4.599 -1.347) 4.808 5.549 ( 1.945 -4.504 5.238) 7.176 5.970 ( 3.876 -3.839 -3.740) 6.614 6.035 ( -0.038 -3.808 -2.742) 4.693 6.175 ( 1.391 -3.960 0.850) 4.282 6.281 ( -0.530 -6.479 -2.274) 6.887 6.387 ( 0.273 -2.274 2.276) 3.229 6.432 ( 0.789 2.492 0.568) 2.675 6.508 ( 2.994 -1.606 0.599) 3.450 6.577 ( 2.181 -1.784 -0.301) 2.834 6.581 ( -0.547 -1.379 -1.291) 1.967 6.608 ( 0.140 2.540 1.599) 3.005 6.676 ( 2.392 -1.556 -1.079) 3.051 6.722 ( 0.551 2.941 -0.299) 3.007 6.750 ( -2.222 4.888 0.187) 5.373 6.786 ( 2.139 5.302 -0.285) 5.725 6.865 ( 1.607 2.016 1.899) 3.202 6.915 ( -1.082 3.573 0.339) 3.749 7.001 ( -1.651 0.682 -3.140) 3.613 7.040 ( 5.063 -0.457 -0.038) 5.083 7.073 ( 1.823 3.048 1.357) 3.802 7.120 ( -1.461 0.825 0.226) 1.693 7.175 ( 1.357 6.769 0.706) 6.940 7.232 ( 1.256 4.808 -0.938) 5.058 7.281 ( -1.720 4.625 1.390) 5.126 7.299 ( -2.491 5.828 0.743) 6.382 7.419 ( 2.618 2.069 -3.211) 4.631 7.450 ( -0.814 6.699 0.276) 6.754 7.543 ( -3.897 -0.160 1.744) 4.272 7.652 ( 1.270 0.498 0.072) 1.366 7.693 ( -0.799 0.237 -2.267) 2.416 7.731 ( 0.465 3.467 1.087) 3.663 7.774 ( 2.762 2.974 0.393) 4.078 7.831 ( -0.166 0.663 -2.473) 2.565 7.975 ( 0.715 1.281 9.295) 9.410 8.174 ( -3.594 1.273 -1.920) 4.269 8.307 ( -2.437 1.177 -4.054) 4.874 8.414 ( -4.442 1.378 -3.775) 5.990 8.548 ( -1.521 -0.974 3.941) 4.335 8.605 ( 4.044 -0.032 2.359) 4.681 8.720 ( 1.268 -3.278 1.966) 4.027 8.926 ( -3.229 -1.627 -7.639) 8.451 9.013 ( 2.921 -2.423 -0.073) 3.796 9.192 ( -2.373 -5.616 -1.120) 6.199 9.389 ( -0.700 -5.738 5.970) 8.310 9.548 ( 0.798 -5.823 2.017) 6.214 9.616 ( 1.345 -7.576 -1.939) 7.935 9.750 ( 6.554 -14.676 0.177) 16.073 9.798 ( -0.441 -4.843 -2.401) 5.423 9.905 ( -4.101 -11.432 -1.966) 12.304 10.314 ( -3.284 -10.706 3.855) 11.843 10.505 ( -1.435 -5.220 -1.482) 5.612 ======================= Grid point 78 (35/56) ======================= q-point: (-0.40 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 3.768 18.079 -0.713) 18.481 1.293 ( -5.787 10.018 7.334) 13.698 1.499 ( -11.292 14.609 -6.368) 19.532 1.656 ( -6.226 13.935 5.625) 16.266 1.720 ( -1.805 8.480 3.269) 9.266 1.965 ( 6.476 9.573 -10.079) 15.335 2.018 ( 9.350 10.784 -0.151) 14.274 2.076 ( 9.289 16.900 1.071) 19.315 2.121 ( -5.185 14.467 -7.087) 16.924 2.221 ( 4.472 9.892 3.756) 11.487 2.326 ( 5.725 9.337 5.673) 12.335 2.427 ( 5.503 11.000 -7.297) 14.301 2.714 ( 1.934 17.555 3.561) 18.016 2.819 ( -2.917 8.022 0.437) 8.547 2.840 ( -11.829 19.604 5.352) 23.514 2.951 ( -0.993 11.432 0.212) 11.477 2.994 ( -8.334 14.129 6.825) 17.767 3.140 ( 0.972 16.126 1.205) 16.200 3.192 ( -1.986 15.558 -2.750) 15.923 3.222 ( -3.042 18.977 -1.172) 19.255 3.339 ( -3.353 10.828 2.735) 11.661 3.367 ( -3.916 15.783 -2.835) 16.506 3.482 ( -0.341 20.711 0.924) 20.734 3.635 ( 5.208 3.695 -11.772) 13.392 3.749 ( 15.889 11.156 1.261) 19.456 3.776 ( 9.785 13.241 -11.944) 20.340 3.917 ( 3.022 4.330 -0.930) 5.362 3.982 ( -1.457 5.396 -0.771) 5.642 4.178 ( -3.341 1.371 6.423) 7.369 4.334 ( -10.129 5.255 13.915) 17.995 4.438 ( 4.914 -3.195 3.501) 6.827 4.688 ( -4.224 -3.559 -1.426) 5.705 4.793 ( 1.843 -3.679 0.822) 4.196 4.870 ( 2.692 2.136 -6.742) 7.568 4.942 ( 7.155 -2.002 -0.001) 7.430 5.020 ( 2.055 -5.146 -2.680) 6.156 5.299 ( -0.107 -3.079 0.535) 3.127 5.387 ( -3.221 -3.844 2.942) 5.814 5.412 ( -0.636 -2.498 -0.526) 2.630 5.595 ( 0.656 -4.705 1.538) 4.993 5.960 ( -5.372 -4.151 -3.414) 7.599 6.009 ( -0.099 -3.304 -0.968) 3.444 6.202 ( 1.641 -3.944 -1.993) 4.714 6.247 ( -2.622 -6.718 1.490) 7.364 6.399 ( 0.415 0.448 1.645) 1.755 6.418 ( -1.786 1.569 0.335) 2.401 6.526 ( -3.556 -0.184 -1.106) 3.728 6.554 ( -0.200 -5.394 0.987) 5.487 6.589 ( -0.948 0.051 -0.136) 0.959 6.624 ( 0.814 1.255 0.855) 1.723 6.682 ( -1.711 -0.843 -2.872) 3.447 6.710 ( -1.049 4.112 1.019) 4.364 6.740 ( 0.652 4.247 0.682) 4.350 6.795 ( -1.027 6.250 -1.105) 6.429 6.881 ( -1.197 2.227 1.491) 2.935 6.904 ( 0.776 3.523 0.689) 3.673 6.969 ( -0.989 -1.817 -0.526) 2.134 7.035 ( -4.420 -0.135 0.293) 4.431 7.091 ( -1.735 3.095 0.064) 3.548 7.111 ( 0.984 2.905 0.295) 3.081 7.186 ( -0.275 6.979 -0.358) 6.993 7.229 ( -0.637 4.560 -0.362) 4.618 7.288 ( 2.588 1.946 1.804) 3.707 7.321 ( 2.703 7.481 -1.439) 8.084 7.399 ( -1.805 0.803 -1.633) 2.563 7.457 ( 1.078 7.464 0.140) 7.543 7.567 ( 5.172 -0.886 -0.629) 5.285 7.649 ( -3.560 -0.354 0.257) 3.587 7.673 ( 1.013 1.922 -0.726) 2.291 7.748 ( 0.870 3.059 -0.384) 3.203 7.777 ( -1.824 0.166 1.460) 2.342 7.804 ( -2.437 2.653 -0.886) 3.710 8.035 ( 1.671 2.269 8.651) 9.098 8.143 ( 1.131 0.411 -5.171) 5.309 8.284 ( 0.959 1.242 -0.339) 1.605 8.385 ( 3.859 1.755 -2.658) 5.004 8.531 ( -1.281 0.360 3.903) 4.124 8.671 ( 0.935 -1.451 -1.535) 2.310 8.748 ( 2.260 -3.135 3.070) 4.935 8.850 ( -2.958 -2.212 -4.215) 5.604 9.032 ( -0.939 -1.853 -1.788) 2.740 9.210 ( 5.149 -5.192 -3.283) 8.015 9.411 ( 1.316 -7.211 5.684) 9.276 9.549 ( -1.602 -5.438 1.813) 5.952 9.619 ( -0.270 -7.611 -2.243) 7.939 9.760 ( -3.273 -7.341 -2.920) 8.552 9.799 ( -1.478 -9.732 -0.411) 9.853 9.872 ( 1.355 -13.964 0.086) 14.030 10.291 ( 0.112 -9.142 4.960) 10.401 10.516 ( 2.896 -5.635 -1.801) 6.587 ======================= Grid point 79 (36/56) ======================= q-point: (-0.20 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -2.763 17.676 1.984) 18.000 1.160 ( -5.609 16.988 4.918) 18.554 1.268 ( -4.666 19.378 -3.594) 20.253 1.538 ( -10.934 9.890 -7.643) 16.607 1.774 ( 11.857 8.855 -1.849) 14.914 1.931 ( -4.918 15.032 -0.923) 15.843 2.041 ( 0.676 1.367 -1.015) 1.832 2.200 ( 5.439 14.435 0.722) 15.442 2.330 ( 2.185 16.464 6.842) 17.963 2.388 ( 7.152 12.231 2.295) 14.354 2.445 ( -1.956 24.359 4.292) 24.811 2.485 ( 1.980 15.847 10.514) 19.120 2.587 ( 7.529 9.006 -0.130) 11.739 2.783 ( 1.192 8.009 3.415) 8.788 2.830 ( 1.066 9.575 -1.517) 9.753 2.912 ( -1.364 15.785 -5.049) 16.629 2.985 ( -2.353 14.368 -3.409) 14.953 3.055 ( -0.860 16.218 -9.330) 18.730 3.157 ( -1.061 13.165 -2.979) 13.540 3.191 ( -0.312 13.383 1.711) 13.496 3.270 ( -2.974 13.825 -0.621) 14.155 3.362 ( 3.856 19.105 -1.517) 19.549 3.499 ( 0.733 25.001 -0.925) 25.029 3.591 ( -7.180 11.550 -2.892) 13.903 3.613 ( -8.106 7.216 -8.671) 13.891 3.841 ( -2.302 2.974 2.733) 4.649 4.087 ( -3.150 4.647 2.617) 6.194 4.093 ( -4.752 8.353 11.174) 14.738 4.250 ( 17.323 1.466 -5.245) 18.159 4.373 ( 14.095 -0.849 9.388) 16.956 4.551 ( 2.872 -3.280 1.191) 4.519 4.659 ( 3.193 -1.848 5.314) 6.469 4.776 ( -1.293 -1.418 -6.917) 7.178 4.925 ( 3.296 -3.571 1.648) 5.132 5.014 ( 0.830 -3.973 -6.040) 7.277 5.120 ( 4.190 -6.269 1.701) 7.730 5.284 ( -0.841 -1.406 -0.601) 1.745 5.324 ( -2.969 -3.323 -0.221) 4.461 5.409 ( 0.917 -5.711 -0.358) 5.796 5.544 ( -4.908 -7.425 -2.252) 9.181 5.856 ( -3.467 -3.002 0.301) 4.596 5.963 ( -3.683 -2.390 1.376) 4.601 6.167 ( -3.818 -5.827 -0.013) 6.966 6.250 ( 2.434 -4.495 -2.137) 5.541 6.347 ( -5.023 -6.646 -0.361) 8.339 6.398 ( -1.589 5.148 -0.097) 5.388 6.460 ( -2.943 -0.314 2.216) 3.697 6.527 ( -4.450 -1.523 -0.528) 4.733 6.551 ( 1.169 1.966 0.253) 2.301 6.636 ( -0.889 0.444 -2.348) 2.550 6.664 ( 1.661 1.616 -0.836) 2.464 6.678 ( -1.985 -1.031 1.850) 2.903 6.734 ( -1.135 5.070 1.697) 5.465 6.758 ( -1.605 5.374 -0.752) 5.659 6.845 ( -2.661 3.204 1.384) 4.389 6.903 ( -3.949 -2.721 -1.571) 5.047 6.953 ( 2.880 4.441 2.680) 5.933 6.994 ( 0.316 2.014 0.434) 2.085 7.052 ( -1.841 3.805 -1.076) 4.362 7.111 ( -0.214 3.457 0.713) 3.536 7.173 ( -0.826 6.285 -0.965) 6.412 7.230 ( 0.547 6.370 -0.925) 6.460 7.313 ( -0.594 2.959 1.546) 3.391 7.348 ( -1.742 3.512 -4.389) 5.885 7.421 ( 4.890 1.021 0.214) 5.000 7.480 ( 1.331 7.382 -0.181) 7.503 7.584 ( -1.582 1.827 1.823) 3.027 7.644 ( 1.231 -0.497 -0.585) 1.451 7.706 ( -3.542 2.627 -1.000) 4.522 7.710 ( 1.424 1.554 -0.486) 2.163 7.762 ( 0.598 2.315 -2.056) 3.154 7.781 ( 0.466 0.219 1.968) 2.034 8.015 ( -3.326 0.135 0.917) 3.453 8.215 ( 5.661 4.823 -0.024) 7.437 8.367 ( 5.178 -1.134 3.633) 6.426 8.456 ( 1.111 -1.829 -0.085) 2.142 8.549 ( 3.127 -0.846 0.482) 3.275 8.652 ( -1.840 -2.994 -0.140) 3.517 8.764 ( -3.634 -0.808 -5.500) 6.642 8.819 ( 3.091 -2.802 1.002) 4.291 9.032 ( 2.326 -1.745 -1.447) 3.248 9.318 ( 5.982 -6.279 -3.268) 9.267 9.457 ( 0.784 -6.072 0.474) 6.141 9.513 ( -1.238 -6.454 1.708) 6.790 9.591 ( -2.204 -8.828 -1.703) 9.257 9.632 ( -8.159 -7.913 -6.260) 12.976 9.789 ( 0.509 -4.458 0.641) 4.533 9.896 ( 1.389 -10.405 6.737) 12.473 10.349 ( 3.257 -8.808 5.655) 10.962 10.577 ( 2.845 -6.673 -1.657) 7.441 ======================= Grid point 80 (37/56) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.583 14.039 -0.405) 14.057 1.499 ( -0.071 22.079 2.986) 22.280 1.582 ( 0.456 16.961 -4.446) 17.540 1.720 ( -1.053 23.656 -3.615) 23.954 2.069 ( -2.078 10.438 -0.374) 10.649 2.111 ( -1.423 13.396 1.635) 13.570 2.207 ( 2.305 11.220 -5.389) 12.658 2.487 ( 1.671 7.045 -0.360) 7.250 2.597 ( -4.108 11.175 6.662) 13.644 2.714 ( 2.299 10.271 -0.769) 10.553 2.774 ( 1.314 7.657 7.285) 10.650 2.818 ( 5.223 5.349 -2.208) 7.796 2.906 ( 2.450 5.926 0.257) 6.418 2.982 ( -0.807 7.460 0.828) 7.549 3.050 ( -4.466 7.559 4.048) 9.668 3.103 ( -1.917 13.694 3.524) 14.270 3.162 ( -1.166 21.761 5.803) 22.552 3.278 ( 1.212 3.810 -2.878) 4.927 3.391 ( -1.355 15.240 -3.726) 15.748 3.507 ( -3.153 16.010 -6.389) 17.523 3.564 ( 3.043 16.164 -8.427) 18.481 3.629 ( 2.000 15.517 -2.439) 15.834 3.679 ( -2.586 15.474 -0.669) 15.703 3.785 ( 0.372 9.553 0.276) 9.564 3.957 ( 0.726 15.362 3.760) 15.832 4.119 ( -0.116 22.708 0.001) 22.709 4.196 ( -4.142 6.524 0.143) 7.729 4.280 ( 3.465 11.163 -3.256) 12.133 4.358 ( 1.224 -5.934 0.864) 6.120 4.537 ( -0.768 6.611 4.370) 7.962 4.583 ( 1.011 0.330 3.418) 3.579 4.670 ( 1.035 -0.447 6.884) 6.976 4.792 ( 2.371 2.891 -5.698) 6.815 4.875 ( 0.205 -3.397 4.816) 5.897 4.938 ( -1.977 1.882 -4.260) 5.060 5.038 ( -2.123 -3.947 -0.409) 4.501 5.237 ( -1.780 1.907 -0.764) 2.718 5.288 ( 0.285 -1.001 -1.226) 1.608 5.319 ( 2.650 -2.440 -0.470) 3.633 5.348 ( -1.500 -2.254 -2.263) 3.529 5.814 ( 1.658 -2.012 1.084) 2.824 5.878 ( -0.254 -1.407 -0.162) 1.439 6.002 ( 0.220 -6.007 1.553) 6.209 6.102 ( -0.784 -8.652 0.482) 8.701 6.184 ( -1.163 -5.187 -2.546) 5.894 6.345 ( 1.553 -3.470 -0.189) 3.807 6.451 ( -0.891 -4.516 -1.353) 4.798 6.514 ( -0.295 2.465 0.325) 2.503 6.543 ( -0.203 -3.813 1.199) 4.002 6.562 ( 0.947 3.138 0.405) 3.303 6.688 ( 0.484 0.087 -0.286) 0.569 6.732 ( -3.486 -1.894 0.476) 3.996 6.750 ( 3.401 -0.088 -1.546) 3.737 6.826 ( -0.547 3.996 0.162) 4.036 6.875 ( 0.484 5.899 2.148) 6.297 6.897 ( -0.929 3.629 0.169) 3.750 7.026 ( 0.631 1.122 0.381) 1.342 7.089 ( 0.530 3.230 0.530) 3.316 7.157 ( -0.644 1.312 0.568) 1.568 7.163 ( 1.330 5.540 1.411) 5.869 7.222 ( -2.184 4.553 -3.926) 6.397 7.313 ( 0.580 3.189 -0.061) 3.242 7.365 ( 0.422 4.064 -0.266) 4.094 7.409 ( -0.254 4.527 0.777) 4.600 7.529 ( -1.168 -3.849 -0.204) 4.027 7.540 ( 0.873 0.693 -0.177) 1.128 7.594 ( -0.369 1.510 -0.171) 1.564 7.654 ( 1.673 0.752 -1.271) 2.232 7.733 ( 0.161 6.162 1.475) 6.338 7.741 ( -1.733 -1.475 0.405) 2.311 7.794 ( -0.284 2.289 -0.097) 2.308 7.814 ( 1.654 0.755 -2.284) 2.919 8.000 ( -1.686 3.092 2.119) 4.110 8.326 ( -1.677 -6.819 1.163) 7.118 8.384 ( 3.710 -2.711 0.964) 4.695 8.415 ( 1.346 -1.669 0.537) 2.210 8.526 ( -0.136 -2.033 0.231) 2.051 8.550 ( -2.058 -1.860 -0.986) 2.944 8.664 ( -2.422 -0.095 2.691) 3.622 8.831 ( 2.397 -2.345 -6.984) 7.748 9.040 ( 2.235 -3.374 1.944) 4.490 9.238 ( -0.801 -11.053 0.092) 11.082 9.293 ( -3.367 -7.234 -1.529) 8.124 9.324 ( 2.152 -6.701 -2.168) 7.364 9.372 ( -1.725 -7.800 0.495) 8.004 9.421 ( -0.305 -4.191 -3.967) 5.779 9.741 ( 0.276 -3.267 0.473) 3.313 9.808 ( 1.494 -8.367 5.426) 10.084 10.238 ( 0.016 -7.830 2.762) 8.303 10.464 ( -0.245 -6.845 -1.520) 7.016 ======================= Grid point 81 (38/56) ======================= q-point: ( 0.20 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -1.280 15.715 -1.221) 15.814 1.569 ( 5.819 18.408 2.828) 19.512 1.590 ( 1.147 14.041 -2.855) 14.374 1.769 ( 5.885 22.752 0.818) 23.515 1.991 ( -3.180 12.205 -1.409) 12.691 2.068 ( -2.722 13.123 2.944) 13.722 2.236 ( 2.003 10.816 -5.794) 12.432 2.448 ( -6.393 9.176 -3.134) 11.615 2.522 ( -4.848 11.608 4.418) 13.333 2.629 ( -9.273 8.983 0.252) 12.913 2.755 ( -4.466 9.754 0.213) 10.730 2.846 ( -7.385 5.588 -7.008) 11.614 2.914 ( 1.609 6.512 2.385) 7.119 2.936 ( -0.005 5.078 -1.283) 5.237 3.010 ( 0.652 5.841 6.942) 9.096 3.073 ( -2.324 6.269 5.389) 8.587 3.229 ( 4.439 25.429 11.016) 28.066 3.290 ( -2.621 4.267 -5.058) 7.118 3.388 ( 3.835 13.121 -0.529) 13.680 3.458 ( 1.248 10.025 -3.474) 10.683 3.605 ( 3.700 19.177 -4.428) 20.026 3.679 ( 4.032 16.929 -6.802) 18.685 3.714 ( 5.215 17.467 1.630) 18.302 3.871 ( 6.837 10.330 1.013) 12.429 3.974 ( -0.572 18.247 3.191) 18.533 4.072 ( -5.212 18.051 -4.568) 19.336 4.130 ( -1.697 9.239 5.583) 10.927 4.256 ( -8.734 3.517 -1.804) 9.587 4.334 ( 0.170 5.020 -4.774) 6.930 4.494 ( -4.671 3.803 4.677) 7.626 4.580 ( 0.874 -0.388 -0.241) 0.986 4.702 ( -0.018 2.210 0.253) 2.225 4.814 ( -0.163 8.082 0.757) 8.119 4.877 ( -0.607 2.763 2.061) 3.500 4.896 ( -1.935 1.446 -2.162) 3.242 4.995 ( -1.944 -9.081 1.569) 9.418 5.242 ( 1.455 2.977 2.438) 4.114 5.302 ( 1.467 -3.401 -0.660) 3.762 5.326 ( 0.897 -0.518 -4.671) 4.785 5.394 ( 4.237 -2.768 1.067) 5.172 5.845 ( 1.968 -2.877 -2.409) 4.237 5.926 ( 3.538 -2.373 0.414) 4.280 6.041 ( 2.601 -5.647 1.421) 6.377 6.141 ( 2.139 -6.989 0.433) 7.322 6.172 ( 2.927 -7.708 -0.844) 8.288 6.382 ( -1.173 -3.672 3.052) 4.917 6.423 ( 0.961 -5.563 -3.338) 6.559 6.528 ( 0.474 2.990 0.003) 3.027 6.576 ( 3.831 -1.408 0.691) 4.140 6.611 ( 2.804 1.005 -0.793) 3.082 6.659 ( -2.273 -0.643 1.052) 2.586 6.710 ( 1.876 -0.209 -1.479) 2.398 6.798 ( 1.493 0.184 0.418) 1.562 6.850 ( 2.213 2.665 -0.099) 3.466 6.889 ( 0.107 2.973 1.094) 3.170 6.910 ( 2.329 3.838 0.796) 4.559 7.018 ( -1.420 0.997 -0.354) 1.771 7.068 ( -0.891 3.332 0.287) 3.461 7.104 ( -4.682 0.762 -0.610) 4.783 7.218 ( 0.581 5.468 -1.542) 5.711 7.234 ( 3.786 4.616 2.882) 6.629 7.326 ( 0.120 3.232 -1.030) 3.394 7.385 ( 2.125 2.855 -1.273) 3.780 7.410 ( 0.441 3.795 0.478) 3.850 7.436 ( -2.047 2.811 -0.467) 3.508 7.556 ( -1.127 1.829 -0.138) 2.152 7.623 ( 0.460 -0.701 -0.964) 1.278 7.632 ( -5.058 -2.151 2.559) 6.063 7.728 ( 3.372 0.482 0.485) 3.441 7.761 ( 1.378 5.474 -1.295) 5.792 7.784 ( -0.306 2.133 -0.556) 2.226 7.849 ( 2.086 1.390 -2.753) 3.723 7.983 ( -1.018 2.609 4.828) 5.581 8.279 ( -4.908 -6.262 3.093) 8.536 8.366 ( -2.714 -1.174 -4.179) 5.119 8.421 ( 1.126 -0.822 -2.666) 3.008 8.544 ( 0.828 -1.564 0.891) 1.982 8.566 ( 1.432 -2.710 3.162) 4.404 8.639 ( -0.627 1.142 2.854) 3.137 8.861 ( 3.099 -3.059 -6.644) 7.944 9.050 ( -1.520 -2.656 -4.374) 5.339 9.130 ( -7.599 -5.216 2.411) 9.527 9.268 ( 1.711 -10.841 2.063) 11.167 9.363 ( 0.763 -8.311 1.481) 8.476 9.411 ( 1.780 -5.737 -0.428) 6.022 9.428 ( 3.501 -8.090 -0.894) 8.860 9.722 ( -2.417 -4.813 -0.281) 5.392 9.800 ( -2.483 -8.337 0.715) 8.729 10.200 ( -3.971 -7.818 2.014) 8.997 10.436 ( -1.939 -6.383 -0.790) 6.718 ======================= Grid point 82 (39/56) ======================= q-point: ( 0.40 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.588 19.024 -0.134) 19.034 1.580 ( -1.086 12.077 -1.501) 12.218 1.682 ( 3.046 12.148 0.246) 12.527 1.927 ( 6.587 13.607 7.232) 16.759 1.994 ( 6.311 14.179 1.636) 15.606 2.112 ( 5.097 16.113 -3.661) 17.292 2.184 ( -7.506 12.106 -2.452) 14.453 2.336 ( -0.270 12.101 -2.280) 12.317 2.349 ( -8.911 12.502 1.091) 15.392 2.500 ( -3.831 9.135 0.792) 9.937 2.604 ( -9.156 10.426 -5.236) 14.831 2.660 ( -6.467 7.937 -7.254) 12.547 2.923 ( -0.710 4.862 4.910) 6.947 2.950 ( -0.388 6.790 -0.637) 6.831 3.061 ( 2.418 6.588 5.658) 9.015 3.101 ( 1.924 7.829 5.269) 9.631 3.211 ( -3.305 -2.977 -1.046) 4.569 3.322 ( 2.323 9.166 5.466) 10.922 3.415 ( 1.048 13.539 -0.721) 13.598 3.560 ( 6.162 5.044 -4.725) 9.259 3.712 ( 4.525 22.891 -3.297) 23.566 3.768 ( 6.365 12.632 -3.424) 14.553 3.818 ( 3.671 16.848 4.147) 17.735 3.895 ( -6.004 25.221 3.157) 26.117 3.965 ( -6.082 14.753 -0.077) 15.958 3.998 ( 1.239 19.014 0.765) 19.070 4.075 ( 3.292 10.653 -1.659) 11.273 4.134 ( -3.442 10.364 -3.336) 11.418 4.307 ( -1.218 9.322 1.484) 9.518 4.403 ( -3.533 4.605 -0.792) 5.858 4.582 ( -2.511 -3.664 0.531) 4.473 4.717 ( 2.335 1.464 -10.265) 10.628 4.763 ( -6.778 7.016 6.489) 11.716 4.819 ( 0.606 7.219 2.571) 7.687 4.921 ( 1.150 -0.266 1.012) 1.555 4.972 ( -0.494 -1.643 0.936) 1.954 5.257 ( -0.240 0.269 1.211) 1.263 5.315 ( 0.543 -4.920 -3.006) 5.791 5.384 ( 3.593 0.138 -0.072) 3.596 5.471 ( 2.388 -3.317 2.418) 4.749 5.890 ( 3.153 -3.705 -2.733) 5.580 5.958 ( -0.862 -3.479 -1.739) 3.984 6.095 ( 2.332 -4.193 1.395) 4.997 6.150 ( -0.642 -6.366 -1.375) 6.545 6.270 ( 4.057 -8.216 3.418) 9.780 6.365 ( 0.004 -5.736 -0.436) 5.752 6.423 ( -1.090 -4.049 0.590) 4.235 6.532 ( 0.621 -1.931 0.062) 2.029 6.601 ( -1.869 -0.041 -2.596) 3.200 6.633 ( -0.239 1.000 0.144) 1.038 6.696 ( 6.051 3.286 0.246) 6.890 6.776 ( 1.968 1.369 1.017) 2.604 6.824 ( 0.295 1.573 1.247) 2.029 6.887 ( 1.255 3.207 -0.680) 3.510 6.903 ( 0.969 0.640 0.435) 1.240 6.952 ( -0.169 -0.224 -0.412) 0.498 6.985 ( -1.865 -2.428 -0.124) 3.064 7.003 ( -1.131 0.310 -1.153) 1.645 7.077 ( 1.096 0.525 0.788) 1.448 7.193 ( -2.614 4.003 0.518) 4.809 7.286 ( 1.210 4.848 1.358) 5.178 7.320 ( -1.076 3.064 0.107) 3.249 7.373 ( -1.097 6.782 -2.135) 7.195 7.445 ( 0.753 2.763 -2.615) 3.878 7.463 ( 3.511 3.557 -0.754) 5.054 7.502 ( -3.475 1.087 2.303) 4.308 7.592 ( 0.975 3.224 2.810) 4.386 7.641 ( 1.795 -0.745 -1.175) 2.271 7.745 ( -1.861 3.841 0.232) 4.274 7.782 ( 0.287 -0.405 -1.457) 1.539 7.793 ( 1.024 2.048 -0.171) 2.295 7.858 ( -0.354 1.971 -1.180) 2.325 8.013 ( 2.806 2.583 5.728) 6.881 8.179 ( -4.663 -1.304 2.052) 5.259 8.317 ( -0.853 -0.646 -5.482) 5.586 8.427 ( -0.432 0.174 -4.591) 4.614 8.535 ( -1.498 -0.239 5.946) 6.136 8.603 ( 2.353 -0.317 0.275) 2.390 8.662 ( 0.969 -2.847 2.227) 3.743 8.880 ( -1.169 -2.800 -8.276) 8.815 8.979 ( -0.802 -1.594 0.523) 1.859 9.065 ( -0.550 -7.010 0.308) 7.038 9.281 ( -1.191 -5.950 3.367) 6.940 9.399 ( 1.822 -11.035 0.191) 11.186 9.445 ( 1.926 -8.486 -0.064) 8.702 9.494 ( 2.582 -10.155 1.922) 10.653 9.644 ( -4.313 -9.307 -1.670) 10.392 9.756 ( -1.428 -4.854 -1.124) 5.183 10.131 ( -2.556 -7.682 1.512) 8.236 10.399 ( -1.029 -5.647 -0.479) 5.760 ======================= Grid point 83 (40/56) ======================= q-point: (-0.40 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 1.121 18.443 -0.575) 18.486 1.539 ( -2.212 14.968 1.011) 15.164 1.727 ( 0.607 9.509 -2.445) 9.837 1.921 ( -8.324 15.148 5.048) 18.006 1.984 ( -4.652 15.970 4.074) 17.126 2.161 ( -0.121 10.969 -8.136) 13.658 2.237 ( 11.402 12.305 -2.518) 16.964 2.347 ( 1.919 12.643 -2.678) 13.066 2.377 ( 5.662 11.471 -4.834) 13.676 2.440 ( -0.604 12.144 4.055) 12.817 2.520 ( 5.095 10.217 4.816) 12.391 2.619 ( 4.927 8.862 -4.753) 11.198 2.910 ( -2.884 3.147 4.498) 6.201 2.929 ( -0.765 5.750 1.029) 5.892 3.114 ( 1.925 7.857 0.424) 8.101 3.135 ( -0.465 5.455 5.347) 7.652 3.174 ( -0.465 3.215 1.203) 3.464 3.373 ( 1.031 6.730 0.861) 6.862 3.445 ( 2.577 9.396 -1.840) 9.915 3.541 ( -12.136 22.825 1.140) 25.876 3.615 ( -0.859 6.595 -3.504) 7.517 3.796 ( -3.306 13.482 -2.681) 14.138 3.850 ( -0.857 26.310 2.658) 26.458 3.946 ( 4.939 12.276 -3.759) 13.756 3.978 ( 6.019 18.511 1.227) 19.504 4.024 ( -8.489 8.637 -1.244) 12.174 4.065 ( 0.913 11.123 -1.848) 11.312 4.114 ( 7.769 15.428 0.386) 17.278 4.322 ( 1.172 14.024 -2.918) 14.372 4.419 ( 5.640 6.047 -0.906) 8.318 4.511 ( -5.103 5.704 7.998) 11.070 4.607 ( -4.615 -0.369 -0.690) 4.681 4.761 ( 0.368 1.694 1.577) 2.343 4.898 ( 5.764 1.734 -3.587) 7.007 4.933 ( 0.148 -3.460 1.471) 3.763 4.974 ( 0.095 4.532 1.769) 4.866 5.255 ( -0.212 -1.748 1.433) 2.270 5.309 ( -0.015 -2.614 -3.285) 4.198 5.402 ( -1.918 0.663 -1.136) 2.326 5.487 ( -1.771 -5.750 1.591) 6.223 5.888 ( -4.310 -2.634 -2.541) 5.654 5.935 ( 1.011 -3.797 -0.321) 3.942 6.104 ( -3.529 -6.751 0.947) 7.677 6.140 ( 1.783 -3.080 -0.454) 3.587 6.302 ( -5.074 -9.744 1.181) 11.049 6.337 ( 1.475 -4.242 1.115) 4.628 6.439 ( 1.356 -4.843 -0.545) 5.059 6.537 ( -0.180 -0.849 0.194) 0.890 6.576 ( -0.131 -0.810 -1.219) 1.470 6.639 ( 1.298 0.832 -0.269) 1.565 6.700 ( -6.188 3.179 0.035) 6.957 6.778 ( -1.257 1.031 0.785) 1.805 6.839 ( -0.695 3.067 0.178) 3.150 6.879 ( -1.104 1.066 -0.323) 1.568 6.921 ( 0.372 1.613 -0.398) 1.703 6.938 ( -0.363 -0.438 0.297) 0.642 6.964 ( 1.968 1.980 0.722) 2.883 6.992 ( -2.244 -2.138 0.296) 3.114 7.087 ( 0.405 -0.129 -0.018) 0.425 7.205 ( 2.654 3.835 -0.341) 4.676 7.292 ( -0.401 4.011 1.096) 4.177 7.334 ( 2.195 3.019 1.537) 4.037 7.347 ( -0.786 6.015 -2.876) 6.714 7.432 ( -0.514 3.467 -1.229) 3.714 7.454 ( -1.202 2.109 0.232) 2.438 7.531 ( 2.175 2.980 -0.089) 3.690 7.607 ( -2.854 1.048 1.767) 3.517 7.643 ( 0.691 1.846 -1.527) 2.493 7.721 ( 0.651 2.913 -0.025) 2.985 7.766 ( -2.003 -1.295 2.299) 3.313 7.798 ( 0.335 2.302 -1.605) 2.826 7.859 ( -0.253 2.884 -0.696) 2.977 8.077 ( -0.521 1.733 2.974) 3.481 8.152 ( 3.470 0.519 1.942) 4.010 8.295 ( 0.469 -0.824 -3.408) 3.537 8.394 ( -1.008 -0.429 -2.307) 2.554 8.537 ( -0.412 -0.047 4.310) 4.330 8.638 ( 0.019 -2.008 -2.291) 3.047 8.693 ( 2.552 -2.320 3.636) 5.012 8.808 ( -2.595 -1.913 -4.738) 5.731 8.986 ( -0.112 -3.388 -0.340) 3.407 9.100 ( 4.058 -5.907 -3.426) 7.943 9.287 ( 1.690 -5.006 3.461) 6.316 9.402 ( -2.350 -10.434 0.756) 10.722 9.452 ( -0.434 -9.381 -1.849) 9.572 9.559 ( 0.221 -13.428 -3.008) 13.762 9.574 ( 0.656 -7.514 4.332) 8.698 9.739 ( -0.109 -3.693 -0.071) 3.696 10.126 ( 1.573 -7.288 1.736) 7.655 10.406 ( 1.827 -5.768 -0.825) 6.106 ======================= Grid point 84 (41/56) ======================= q-point: (-0.20 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.989 15.488 -1.497) 15.592 1.508 ( -1.515 19.627 2.333) 19.823 1.634 ( -5.462 16.926 -1.316) 17.834 1.819 ( -6.769 18.840 -1.328) 20.063 1.982 ( 6.563 11.845 -1.030) 13.581 2.150 ( 1.125 10.277 -3.271) 10.844 2.229 ( -4.623 15.293 -5.788) 16.993 2.415 ( 5.649 8.894 -0.946) 10.579 2.572 ( 9.868 9.908 1.813) 14.101 2.583 ( 6.780 10.598 4.945) 13.518 2.654 ( 5.658 8.223 5.065) 11.193 2.755 ( 6.415 8.814 0.478) 10.912 2.847 ( -2.083 1.736 2.745) 3.858 2.949 ( 1.993 6.511 0.938) 6.874 3.109 ( -3.504 8.656 6.363) 11.300 3.140 ( 0.840 9.568 -1.819) 9.775 3.176 ( -1.646 17.095 3.115) 17.455 3.314 ( -4.424 9.203 0.182) 10.213 3.406 ( -0.830 15.921 -0.624) 15.955 3.513 ( 4.018 14.188 -5.369) 15.693 3.574 ( -1.504 9.720 -7.200) 12.190 3.696 ( -4.879 13.425 -6.012) 15.498 3.792 ( -8.052 17.449 -0.251) 19.219 3.836 ( -5.249 13.123 2.498) 14.353 3.945 ( -0.851 12.728 2.103) 12.928 4.087 ( 4.431 25.793 -2.330) 26.274 4.193 ( 5.093 5.403 -1.737) 7.626 4.238 ( 4.849 3.158 -0.163) 5.789 4.309 ( -0.195 6.430 -3.734) 7.438 4.470 ( 0.622 12.679 12.030) 17.489 4.543 ( 3.674 3.059 0.091) 4.782 4.607 ( 3.651 -3.236 3.397) 5.945 4.767 ( 0.099 1.744 0.512) 1.820 4.900 ( -2.262 -0.197 -0.108) 2.273 4.968 ( 0.348 1.017 -3.502) 3.664 5.024 ( 3.711 -2.508 2.404) 5.084 5.259 ( -0.002 -2.165 1.506) 2.638 5.300 ( -0.134 -1.398 -3.417) 3.695 5.330 ( -3.168 2.084 -3.522) 5.176 5.414 ( -4.815 -5.452 -0.023) 7.274 5.812 ( -2.129 -1.335 -0.218) 2.523 5.917 ( -2.596 -2.317 0.900) 3.594 6.030 ( -3.372 -7.454 1.689) 8.354 6.161 ( -1.916 -6.042 0.398) 6.351 6.195 ( -1.951 -6.195 -3.630) 7.441 6.359 ( -1.384 -5.718 3.447) 6.818 6.444 ( 1.124 -4.207 -3.486) 5.578 6.536 ( -1.191 2.858 -0.623) 3.159 6.569 ( -0.451 -1.107 2.067) 2.388 6.585 ( -4.480 0.113 0.316) 4.492 6.662 ( 0.566 -1.229 0.433) 1.420 6.725 ( -0.713 1.398 -1.929) 2.487 6.794 ( -2.808 -0.628 0.549) 2.929 6.857 ( -1.578 4.849 -0.588) 5.133 6.888 ( -2.547 2.268 1.829) 3.869 6.916 ( -0.798 3.299 -0.242) 3.402 6.996 ( 1.784 0.602 1.135) 2.199 7.046 ( 2.679 3.891 1.008) 4.831 7.115 ( 2.853 0.868 -0.554) 3.034 7.203 ( -2.515 5.754 0.087) 6.280 7.287 ( -1.546 5.239 0.061) 5.463 7.323 ( -0.557 3.073 -2.891) 4.256 7.352 ( 0.086 1.135 1.703) 2.049 7.422 ( -2.025 3.396 -0.974) 4.072 7.450 ( 2.371 2.147 -0.750) 3.285 7.544 ( 1.710 -0.202 0.651) 1.841 7.615 ( 1.976 0.377 0.425) 2.056 7.662 ( -0.917 1.926 -0.201) 2.142 7.718 ( -1.076 -0.662 0.575) 1.388 7.738 ( 0.542 1.921 0.088) 1.998 7.803 ( 0.557 2.455 -1.752) 3.068 7.826 ( -2.398 3.497 0.149) 4.243 8.038 ( -2.544 2.231 0.739) 3.464 8.272 ( 6.034 -0.664 3.756) 7.138 8.341 ( 4.503 -2.480 -1.607) 5.386 8.363 ( -1.866 -4.902 -0.487) 5.267 8.537 ( -0.632 -0.452 1.772) 1.935 8.606 ( -2.308 -2.069 -0.535) 3.146 8.721 ( -3.472 -2.605 4.647) 6.359 8.788 ( 3.912 -0.839 -8.367) 9.275 8.993 ( 1.211 -2.698 1.289) 3.226 9.183 ( 5.223 -7.115 -2.580) 9.196 9.310 ( -2.341 -9.085 -1.389) 9.484 9.361 ( -0.081 -8.974 1.971) 9.189 9.423 ( -2.225 -7.806 -0.808) 8.157 9.481 ( -3.759 -7.118 -7.018) 10.679 9.681 ( 5.208 -6.858 5.806) 10.386 9.752 ( 1.046 -4.523 2.901) 5.474 10.189 ( 3.358 -7.354 2.330) 8.414 10.448 ( 2.145 -6.614 -1.364) 7.085 ======================= Grid point 85 (42/56) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.010 11.973 -0.427) 11.981 1.880 ( -0.230 15.153 -0.449) 15.161 1.917 ( 0.032 17.189 0.417) 17.194 2.151 ( -0.119 18.702 -0.564) 18.711 2.243 ( -0.697 10.929 -3.332) 11.446 2.408 ( -0.907 13.924 -1.649) 14.051 2.463 ( 0.016 14.066 -3.879) 14.591 2.568 ( 1.334 2.949 0.750) 3.323 2.774 ( -2.323 6.418 4.420) 8.132 2.867 ( 2.074 5.556 5.608) 8.162 2.888 ( 4.612 4.614 -2.582) 7.016 2.912 ( 1.054 4.512 1.936) 5.022 3.025 ( -0.548 -0.603 0.553) 0.985 3.061 ( 1.610 6.523 5.496) 8.680 3.107 ( -4.616 4.101 0.203) 6.178 3.214 ( -2.402 4.379 -1.011) 5.096 3.330 ( 1.138 2.719 -4.188) 5.122 3.450 ( 2.924 -2.732 -6.232) 7.406 3.555 ( 0.896 2.684 0.551) 2.883 3.679 ( -4.047 3.508 -5.461) 7.650 3.767 ( -9.542 2.953 10.266) 14.323 3.942 ( 5.533 11.277 0.668) 12.579 3.998 ( 5.840 12.868 2.226) 14.305 4.062 ( 0.076 16.740 -3.622) 17.127 4.169 ( -1.491 5.998 3.146) 6.935 4.270 ( 3.334 0.630 1.519) 3.718 4.293 ( -3.627 9.383 2.460) 10.356 4.415 ( 1.622 6.344 -2.602) 7.046 4.513 ( -2.083 11.402 -9.150) 14.767 4.533 ( -0.380 1.074 0.131) 1.147 4.734 ( 0.538 6.875 2.116) 7.213 4.778 ( 2.968 2.416 2.410) 4.522 4.876 ( -1.124 12.096 3.784) 12.724 4.926 ( 0.225 8.120 3.745) 8.945 4.995 ( -2.043 0.882 -4.327) 4.866 5.099 ( -0.774 14.111 -7.123) 15.826 5.214 ( 0.783 -2.395 -0.004) 2.520 5.283 ( -0.270 -0.850 -0.221) 0.919 5.381 ( 0.686 13.647 6.702) 15.219 5.508 ( -0.110 13.147 -4.125) 13.779 5.783 ( 0.340 -1.132 -0.800) 1.427 5.843 ( 0.544 -3.177 0.494) 3.261 5.917 ( 0.848 -1.290 0.897) 1.785 5.946 ( -1.201 -6.915 0.760) 7.059 6.110 ( -1.709 -2.227 0.555) 2.862 6.277 ( 1.833 -3.685 0.848) 4.202 6.330 ( -0.724 -5.351 -3.707) 6.550 6.465 ( -0.097 -3.891 1.339) 4.116 6.578 ( -0.003 1.651 -0.406) 1.700 6.613 ( 0.745 2.047 0.306) 2.200 6.649 ( 0.861 -2.777 -0.390) 2.933 6.711 ( -3.551 0.009 1.647) 3.915 6.758 ( 2.214 0.678 -1.955) 3.030 6.887 ( -0.568 2.405 0.532) 2.528 6.958 ( -1.102 2.827 0.723) 3.119 6.966 ( 0.621 3.436 0.790) 3.580 7.055 ( 1.061 1.697 0.141) 2.006 7.148 ( 0.325 2.647 -0.520) 2.717 7.160 ( -0.261 -0.496 0.448) 0.717 7.245 ( 0.107 3.187 0.990) 3.339 7.283 ( -0.994 1.755 -2.326) 3.079 7.388 ( -0.419 3.832 0.277) 3.865 7.412 ( 1.396 1.155 -0.521) 1.885 7.446 ( 1.548 -3.281 -1.174) 3.813 7.477 ( -0.243 1.893 2.640) 3.257 7.558 ( -1.858 1.130 -0.313) 2.197 7.609 ( 1.097 -0.440 0.869) 1.467 7.648 ( -1.394 -0.661 0.983) 1.830 7.725 ( -0.508 -0.051 -2.414) 2.468 7.792 ( 0.905 0.550 1.822) 2.107 7.807 ( 1.614 -1.912 -1.572) 2.955 7.867 ( -0.885 4.349 -1.233) 4.606 8.065 ( -1.769 2.654 2.759) 4.218 8.177 ( -0.561 -6.295 -2.989) 6.991 8.289 ( 2.450 -4.818 1.249) 5.548 8.414 ( 1.347 -0.531 1.420) 2.028 8.479 ( -2.960 -3.185 1.934) 4.759 8.503 ( 0.630 -2.491 -1.376) 2.915 8.688 ( -1.003 1.563 2.500) 3.114 8.792 ( 1.754 -1.829 -6.218) 6.715 8.963 ( 1.810 -4.915 3.768) 6.452 9.041 ( -2.457 -8.611 -0.124) 8.955 9.156 ( 2.543 -8.510 -1.131) 8.954 9.162 ( -2.105 -6.083 -3.034) 7.116 9.271 ( -0.497 -3.617 0.948) 3.772 9.348 ( -0.358 -3.672 -3.825) 5.314 9.655 ( 1.366 -6.928 5.039) 8.675 9.675 ( -0.762 -4.172 0.444) 4.264 10.111 ( 0.166 -5.113 0.723) 5.167 10.334 ( -0.178 -6.542 -0.978) 6.617 ======================= Grid point 86 (43/56) ======================= q-point: ( 0.20 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 1.064 12.265 -0.368) 12.317 1.849 ( -2.075 13.123 -0.896) 13.316 1.939 ( 1.385 16.504 0.740) 16.579 2.156 ( -1.365 14.719 3.065) 15.097 2.213 ( 1.311 14.902 -2.683) 15.198 2.389 ( 0.391 16.460 -1.741) 16.556 2.459 ( 0.240 11.452 -2.368) 11.697 2.580 ( -0.595 4.896 -2.663) 5.605 2.727 ( -3.674 8.463 1.806) 9.401 2.778 ( -11.153 7.274 1.786) 13.435 2.874 ( -2.759 2.320 2.990) 4.683 2.923 ( -6.769 2.819 -0.173) 7.335 2.994 ( 3.761 2.704 -8.037) 9.276 3.057 ( -4.343 6.414 4.526) 8.972 3.082 ( 1.810 3.844 7.331) 8.473 3.179 ( -0.430 4.355 -0.545) 4.410 3.329 ( -6.964 1.026 -2.630) 7.514 3.391 ( 2.802 0.676 -3.778) 4.752 3.550 ( -0.962 -1.238 -1.521) 2.184 3.653 ( -3.828 6.263 7.065) 10.188 3.759 ( 5.464 3.810 2.052) 6.971 3.972 ( 3.487 12.565 -2.124) 13.212 4.027 ( -0.998 2.466 1.569) 3.089 4.074 ( -2.562 -1.487 -4.576) 5.451 4.220 ( 4.167 13.333 4.429) 14.654 4.272 ( 0.559 18.754 6.342) 19.805 4.380 ( 6.529 8.909 -6.901) 13.024 4.432 ( -0.737 5.674 -5.027) 7.616 4.445 ( -0.369 6.249 -0.573) 6.286 4.536 ( 0.365 3.740 0.198) 3.763 4.707 ( -4.984 12.830 -0.409) 13.770 4.809 ( 3.412 5.822 -1.159) 6.847 4.907 ( 0.531 4.327 7.112) 8.341 4.929 ( -0.761 6.879 4.366) 8.183 4.973 ( 0.070 4.531 -0.112) 4.533 5.061 ( -0.594 13.607 -7.337) 15.470 5.227 ( 0.583 -2.502 -1.394) 2.923 5.289 ( 0.650 -1.614 -0.981) 1.998 5.413 ( 0.585 12.122 3.527) 12.638 5.478 ( -0.685 10.394 -2.176) 10.641 5.813 ( 2.441 0.066 -1.354) 2.792 5.893 ( 3.508 -1.744 -0.007) 3.918 5.929 ( 2.085 -4.257 -0.249) 4.747 6.010 ( 4.974 -5.260 1.824) 7.465 6.089 ( -0.742 -1.717 1.850) 2.630 6.306 ( 0.064 -3.644 -0.149) 3.647 6.340 ( 2.634 -2.247 -1.879) 3.939 6.495 ( 2.222 -3.316 1.234) 4.178 6.604 ( 0.873 1.435 -1.768) 2.438 6.620 ( 1.497 -1.355 0.154) 2.025 6.643 ( 0.113 -0.508 -0.952) 1.085 6.700 ( 1.992 0.619 1.449) 2.540 6.795 ( 1.512 -0.184 -0.338) 1.560 6.886 ( 0.005 1.234 1.165) 1.697 6.932 ( -1.622 1.637 1.154) 2.577 6.981 ( 0.393 3.203 -0.048) 3.227 7.034 ( -2.019 0.882 -0.667) 2.302 7.103 ( -5.865 -0.170 0.167) 5.869 7.137 ( -0.538 3.550 -0.847) 3.689 7.296 ( 3.144 2.030 0.299) 3.754 7.303 ( 0.930 2.652 0.475) 2.850 7.370 ( 0.081 1.286 -0.292) 1.321 7.415 ( 2.005 1.369 -1.522) 2.865 7.463 ( 0.600 0.559 -0.050) 0.821 7.499 ( 1.152 3.432 -0.618) 3.673 7.540 ( -5.348 -3.622 0.539) 6.481 7.584 ( -0.003 -0.686 2.876) 2.957 7.640 ( 2.204 1.847 0.113) 2.878 7.731 ( 1.054 0.065 -0.752) 1.297 7.795 ( -0.369 -0.304 -0.510) 0.699 7.863 ( 2.897 -0.035 -2.826) 4.047 7.878 ( 1.895 4.621 -1.039) 5.101 8.026 ( -2.803 0.624 5.001) 5.767 8.152 ( -1.145 -4.882 0.164) 5.018 8.303 ( -0.496 -3.964 -2.351) 4.635 8.421 ( -0.891 -0.567 -2.520) 2.732 8.468 ( 2.486 -4.253 3.645) 6.128 8.547 ( 2.555 -0.980 1.206) 2.990 8.664 ( -2.473 1.045 2.386) 3.592 8.811 ( 2.150 -2.477 -6.601) 7.371 8.963 ( -2.168 -5.639 0.522) 6.064 9.030 ( -0.657 -6.869 1.453) 7.052 9.079 ( -3.271 -6.234 -1.102) 7.126 9.192 ( 1.233 -8.610 -0.088) 8.698 9.297 ( 1.934 -4.801 1.156) 5.303 9.332 ( -0.289 -3.862 -1.857) 4.295 9.613 ( -5.046 -5.985 1.669) 8.004 9.675 ( -0.371 -5.084 0.827) 5.164 10.081 ( -2.937 -4.449 0.100) 5.332 10.314 ( -1.405 -6.172 -0.331) 6.338 ======================= Grid point 87 (44/56) ======================= q-point: ( 0.40 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 0.736 12.847 -0.073) 12.868 1.818 ( -0.068 12.228 -1.925) 12.379 1.932 ( -1.928 12.946 -0.078) 13.089 2.186 ( 4.098 12.961 5.232) 14.566 2.278 ( 3.846 14.345 2.089) 14.998 2.416 ( -4.670 11.552 -2.356) 12.681 2.426 ( 3.250 15.337 -4.869) 16.416 2.530 ( -4.154 5.706 0.351) 7.066 2.580 ( -3.532 11.042 -0.362) 11.599 2.672 ( -1.857 10.159 0.060) 10.328 2.770 ( -5.749 7.709 -2.943) 10.057 2.818 ( -3.884 7.683 -1.275) 8.703 2.978 ( -2.494 2.432 2.693) 4.403 3.048 ( 2.200 3.662 -3.605) 5.590 3.108 ( -6.660 -3.670 1.416) 7.735 3.157 ( 3.297 4.547 4.854) 7.423 3.258 ( 1.234 5.302 3.255) 6.343 3.434 ( -0.573 3.638 3.788) 5.283 3.521 ( 0.459 -3.491 -6.007) 6.963 3.652 ( 1.670 6.692 0.923) 6.959 3.829 ( 2.413 -4.020 2.283) 5.215 3.935 ( -4.077 -1.843 -2.672) 5.211 4.007 ( -2.434 3.023 -0.097) 3.882 4.152 ( 6.716 8.776 -2.925) 11.431 4.255 ( -1.701 15.397 2.042) 15.625 4.305 ( 2.960 6.529 2.730) 7.671 4.393 ( -2.174 12.425 -1.158) 12.667 4.429 ( 1.394 11.904 0.487) 11.996 4.485 ( 1.827 -0.191 -1.953) 2.681 4.534 ( 0.369 13.544 -2.361) 13.753 4.646 ( -1.520 16.891 2.666) 17.167 4.854 ( -1.005 7.549 -1.813) 7.828 4.904 ( -0.443 7.731 -0.762) 7.781 4.909 ( -0.753 6.661 5.739) 8.824 4.997 ( 0.156 6.737 2.403) 7.154 5.056 ( 2.155 10.452 -2.360) 10.930 5.217 ( -0.763 -1.913 -2.763) 3.446 5.280 ( -0.047 -2.844 -4.795) 5.575 5.427 ( 0.228 6.615 1.153) 6.719 5.497 ( 1.505 7.579 1.999) 7.981 5.861 ( 2.509 1.149 -0.864) 2.891 5.924 ( -0.205 0.928 -1.276) 1.591 6.002 ( 3.444 -5.374 -0.733) 6.425 6.074 ( -0.980 -1.098 2.372) 2.791 6.109 ( 2.993 -7.899 2.134) 8.713 6.316 ( 0.686 0.386 -0.876) 1.178 6.370 ( 0.768 -0.364 0.425) 0.950 6.509 ( -0.707 -0.336 1.956) 2.107 6.597 ( -1.046 -0.004 -4.277) 4.403 6.634 ( 0.552 -0.812 0.070) 0.984 6.727 ( 6.416 -0.512 0.447) 6.452 6.771 ( 3.773 -1.982 1.357) 4.473 6.822 ( 1.585 -1.461 -0.969) 2.364 6.877 ( -5.120 -0.853 0.177) 5.194 6.900 ( 0.876 0.104 1.997) 2.183 6.962 ( -1.762 0.658 -0.599) 1.974 6.984 ( -2.396 1.223 0.638) 2.764 7.021 ( -0.395 1.799 -0.462) 1.899 7.130 ( -0.098 4.070 -1.380) 4.299 7.223 ( -6.037 -0.654 0.790) 6.123 7.357 ( 1.775 2.290 0.719) 2.986 7.370 ( -0.522 1.949 -0.360) 2.049 7.467 ( 1.456 0.782 -0.840) 1.854 7.478 ( 0.832 2.557 -0.956) 2.854 7.501 ( 0.019 2.559 -2.783) 3.781 7.522 ( 1.912 -0.404 3.873) 4.338 7.607 ( 2.448 -0.740 1.105) 2.786 7.664 ( 0.538 1.883 -0.332) 1.986 7.749 ( -0.504 -1.364 1.168) 1.865 7.774 ( -3.117 -0.641 0.588) 3.236 7.852 ( -0.042 2.417 -4.966) 5.523 7.910 ( 1.285 3.125 -0.477) 3.413 8.059 ( 4.040 1.461 3.658) 5.642 8.127 ( -1.919 -3.279 2.965) 4.819 8.281 ( -0.829 -2.563 -2.610) 3.750 8.418 ( 1.168 -1.701 -3.696) 4.233 8.525 ( 0.616 -1.195 2.639) 2.962 8.588 ( 0.214 -2.178 -2.520) 3.338 8.616 ( -0.718 -0.648 6.370) 6.443 8.818 ( -0.194 -3.984 -7.689) 8.662 8.933 ( -3.075 -4.958 2.662) 6.413 8.943 ( -0.611 -3.653 -3.324) 4.977 9.115 ( 3.042 -10.006 5.865) 11.990 9.213 ( 0.757 -8.071 0.133) 8.108 9.301 ( -1.797 -5.915 -2.155) 6.547 9.340 ( 0.948 -6.064 0.012) 6.137 9.513 ( -4.028 -4.273 0.851) 5.934 9.666 ( -0.438 -4.668 0.069) 4.689 10.026 ( -1.848 -3.337 -0.262) 3.823 10.289 ( -0.705 -5.685 0.061) 5.729 ======================= Grid point 88 (45/56) ======================= q-point: (-0.40 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -0.750 12.804 0.010) 12.826 1.832 ( 1.678 13.657 -2.956) 14.074 1.924 ( 1.302 11.380 0.577) 11.469 2.201 ( -5.582 13.051 4.281) 14.826 2.294 ( -1.471 15.490 3.817) 16.021 2.379 ( 1.954 11.035 -5.622) 12.538 2.476 ( 4.031 11.311 -6.394) 13.604 2.537 ( 1.300 5.910 1.078) 6.146 2.590 ( 6.246 11.149 -1.301) 12.845 2.674 ( -0.159 11.523 -1.421) 11.611 2.705 ( 2.611 10.319 3.483) 11.200 2.804 ( 3.725 9.732 -0.792) 10.450 2.942 ( -3.165 1.697 4.241) 5.558 2.993 ( -2.881 0.057 1.725) 3.358 3.116 ( 3.938 0.452 -0.779) 4.039 3.236 ( 3.004 4.193 1.533) 5.380 3.296 ( 1.682 5.176 -0.106) 5.444 3.410 ( -1.776 -1.095 3.055) 3.700 3.534 ( 1.445 0.192 -4.261) 4.504 3.687 ( 1.992 5.575 -2.169) 6.305 3.827 ( -2.477 -3.233 2.187) 4.623 3.913 ( 1.523 -2.190 -1.279) 2.958 3.987 ( 0.084 2.575 1.884) 3.192 4.152 ( -1.937 7.367 -4.791) 8.999 4.220 ( -2.380 12.640 6.222) 14.288 4.298 ( -6.326 12.789 0.712) 14.286 4.399 ( 0.057 9.389 -1.523) 9.512 4.470 ( 3.996 3.668 -0.881) 5.495 4.484 ( -2.148 9.923 -1.290) 10.235 4.542 ( 1.640 13.323 -1.281) 13.485 4.653 ( 1.925 13.469 1.637) 13.704 4.805 ( -2.006 12.810 0.852) 12.994 4.876 ( -0.097 3.212 -2.058) 3.816 4.948 ( -4.265 6.630 4.592) 9.124 4.983 ( 3.136 12.185 4.155) 13.250 5.088 ( 0.751 7.364 -3.566) 8.216 5.210 ( 1.241 -2.240 -2.440) 3.537 5.285 ( 1.746 -1.172 -5.924) 6.286 5.421 ( -1.358 3.849 1.571) 4.374 5.503 ( -1.528 8.156 2.009) 8.538 5.875 ( -2.833 0.661 -1.939) 3.496 5.899 ( 0.300 2.068 0.394) 2.127 5.988 ( -4.110 -4.935 0.455) 6.439 6.096 ( 1.089 -1.948 1.023) 2.455 6.121 ( -1.698 -8.044 1.193) 8.307 6.309 ( -1.451 1.570 -0.459) 2.187 6.373 ( -0.367 -1.341 0.110) 1.394 6.506 ( -0.515 -1.491 2.417) 2.887 6.579 ( 1.033 1.061 -3.026) 3.369 6.646 ( 0.106 -0.375 -0.854) 0.939 6.728 ( -5.939 -0.916 0.368) 6.020 6.764 ( -3.561 -1.805 1.166) 4.159 6.842 ( -1.555 -1.254 -1.733) 2.645 6.874 ( 5.335 -0.602 0.098) 5.369 6.918 ( -2.100 -0.489 1.308) 2.522 6.955 ( 4.192 1.079 -0.161) 4.331 6.977 ( 1.309 0.958 1.046) 1.931 7.012 ( -0.584 2.356 -0.160) 2.433 7.124 ( 0.603 3.500 -0.780) 3.636 7.227 ( 5.648 -0.956 0.226) 5.733 7.349 ( -1.439 1.733 0.773) 2.382 7.381 ( 0.260 1.749 -0.132) 1.773 7.446 ( -2.727 3.838 -0.114) 4.709 7.463 ( -1.303 0.371 1.277) 1.862 7.496 ( 0.338 2.735 -2.695) 3.854 7.563 ( -3.867 -1.373 1.068) 4.240 7.604 ( 0.811 0.604 0.970) 1.401 7.678 ( 1.247 0.795 -1.887) 2.397 7.732 ( -1.048 -1.007 2.267) 2.693 7.774 ( 1.653 0.935 2.194) 2.902 7.822 ( -1.048 0.627 -4.050) 4.230 7.923 ( -0.064 3.281 -1.054) 3.447 8.092 ( -0.599 -0.407 0.701) 1.008 8.165 ( 3.780 0.580 3.006) 4.864 8.239 ( -3.297 -4.083 -1.435) 5.441 8.386 ( -2.652 -0.780 -2.345) 3.625 8.516 ( -0.250 -2.124 4.015) 4.549 8.591 ( 0.004 -2.742 -2.614) 3.788 8.666 ( 2.163 -0.523 4.761) 5.256 8.770 ( -1.015 -2.447 -6.009) 6.567 8.899 ( -0.278 -5.062 0.827) 5.136 8.985 ( 3.732 -5.998 -2.388) 7.457 9.179 ( -0.580 -10.518 2.694) 10.873 9.226 ( -1.535 -2.935 -1.082) 3.484 9.260 ( 3.224 -9.758 -0.744) 10.304 9.346 ( -0.134 -7.763 -0.424) 7.775 9.489 ( 0.899 -2.517 2.538) 3.686 9.664 ( 0.224 -4.160 0.174) 4.170 10.023 ( 1.629 -3.346 -0.087) 3.722 10.294 ( 1.164 -5.768 -0.229) 5.889 ======================= Grid point 89 (46/56) ======================= q-point: (-0.20 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -0.847 12.096 -0.401) 12.133 1.861 ( 1.859 15.628 -1.775) 15.838 1.933 ( -1.176 13.694 1.058) 13.786 2.156 ( -0.050 14.400 2.103) 14.553 2.260 ( -1.190 17.438 -4.424) 18.029 2.396 ( 2.287 13.326 -2.922) 13.833 2.495 ( -1.085 9.944 -5.970) 11.649 2.544 ( 0.746 5.431 0.083) 5.483 2.749 ( 7.186 6.843 3.533) 10.533 2.760 ( 7.214 9.307 1.392) 11.857 2.796 ( 1.377 6.421 6.375) 9.152 2.870 ( -0.413 3.408 4.907) 5.989 2.939 ( 6.797 7.470 -1.745) 10.250 3.013 ( 2.601 1.855 3.069) 4.430 3.155 ( -0.577 1.310 0.403) 1.487 3.260 ( -1.021 4.350 -0.040) 4.469 3.341 ( 1.723 4.754 -2.454) 5.621 3.387 ( 1.253 -6.468 -6.512) 9.263 3.535 ( 0.078 3.469 -0.300) 3.482 3.766 ( 5.876 6.071 -0.644) 8.473 3.839 ( 3.414 6.863 1.034) 7.734 3.876 ( -4.060 7.491 -2.182) 8.796 3.937 ( -7.977 -1.416 6.003) 10.083 4.126 ( -0.948 7.332 -4.546) 8.679 4.194 ( -3.236 16.867 5.753) 18.113 4.205 ( 0.598 4.447 4.783) 6.558 4.367 ( -1.951 7.084 -0.658) 7.377 4.422 ( -2.595 2.473 -1.604) 3.928 4.534 ( 1.919 6.076 -3.291) 7.172 4.548 ( 0.396 13.809 -6.323) 15.193 4.704 ( 2.471 6.627 2.290) 7.434 4.765 ( -3.321 15.637 0.622) 15.998 4.885 ( -0.858 6.226 3.442) 7.165 4.894 ( 0.597 8.169 4.115) 9.166 5.040 ( -0.071 2.646 -1.716) 3.155 5.096 ( 2.532 9.831 -3.623) 10.779 5.251 ( 0.129 2.755 -3.634) 4.562 5.256 ( -0.635 -3.055 -0.108) 3.122 5.385 ( -2.515 6.683 3.374) 7.897 5.496 ( 1.281 11.263 -1.188) 11.398 5.811 ( -2.444 1.224 -1.241) 3.002 5.879 ( -3.547 -2.369 0.830) 4.346 5.911 ( -1.498 -2.802 0.969) 3.322 6.024 ( -5.439 -6.253 1.107) 8.361 6.132 ( 0.198 -2.139 -0.928) 2.340 6.272 ( -1.496 -2.329 1.076) 2.970 6.360 ( -0.852 -3.619 -2.397) 4.424 6.490 ( -2.330 -3.723 1.787) 4.742 6.584 ( 0.465 0.278 -0.749) 0.924 6.629 ( -3.967 1.294 -0.426) 4.194 6.632 ( 0.629 -0.621 0.326) 0.942 6.739 ( 0.220 0.983 -1.833) 2.091 6.779 ( -3.459 -0.593 1.103) 3.679 6.899 ( -0.501 0.868 0.393) 1.076 6.944 ( 1.859 2.199 -0.010) 2.880 6.972 ( -0.339 2.563 0.988) 2.768 7.012 ( 1.348 1.313 0.489) 1.944 7.103 ( 6.237 0.373 0.122) 6.249 7.135 ( 0.703 3.277 -0.591) 3.404 7.285 ( -2.014 2.176 -0.063) 2.965 7.340 ( 1.598 -0.313 1.059) 1.943 7.355 ( -3.569 0.487 -1.403) 3.866 7.397 ( -1.141 4.086 -0.058) 4.243 7.450 ( -0.798 0.341 0.357) 0.938 7.490 ( -1.437 0.371 1.484) 2.099 7.527 ( 4.657 -0.251 -0.314) 4.674 7.638 ( 0.249 1.899 -0.538) 1.989 7.659 ( -4.306 -1.181 0.822) 4.540 7.717 ( 1.691 0.468 -1.057) 2.049 7.764 ( -0.035 0.269 0.363) 0.453 7.834 ( -0.815 -0.174 -0.796) 1.152 7.898 ( -1.670 3.757 -0.913) 4.212 8.089 ( -0.847 2.477 0.709) 2.712 8.182 ( 0.093 -8.524 -3.803) 9.335 8.230 ( 1.940 -2.241 4.417) 5.319 8.374 ( 1.553 0.937 0.372) 1.852 8.510 ( -1.540 -2.530 1.800) 3.466 8.551 ( -2.870 -3.611 -1.128) 4.749 8.697 ( -0.650 -0.067 4.193) 4.244 8.770 ( 2.436 -1.280 -6.891) 7.419 8.916 ( 1.424 -4.974 2.565) 5.774 9.053 ( 2.889 -6.670 -0.783) 7.311 9.135 ( -1.870 -8.172 -1.906) 8.598 9.194 ( -0.759 -7.327 -2.007) 7.635 9.299 ( -1.472 -5.103 1.215) 5.448 9.355 ( 1.383 -6.113 -4.456) 7.690 9.566 ( 4.863 -4.724 6.171) 9.168 9.674 ( 0.464 -4.097 0.721) 4.186 10.074 ( 2.853 -4.377 0.429) 5.242 10.323 ( 1.475 -6.345 -0.824) 6.566 ======================= Grid point 90 (47/56) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.008 9.891 0.051) 9.891 2.106 ( -1.242 8.116 -0.134) 8.211 2.162 ( 1.570 8.111 -1.309) 8.364 2.405 ( -0.271 2.652 -1.538) 3.078 2.439 ( -1.584 10.276 -0.124) 10.398 2.591 ( 0.692 8.585 -1.445) 8.734 2.693 ( 2.271 8.082 1.710) 8.567 2.733 ( 0.212 11.714 -2.095) 11.902 2.833 ( -2.542 0.813 1.441) 3.033 2.897 ( 3.147 -0.908 -3.816) 5.029 2.955 ( 1.419 2.709 2.615) 4.024 2.985 ( -0.475 3.965 0.769) 4.066 3.034 ( -2.343 1.827 5.885) 6.592 3.147 ( -1.518 0.119 2.336) 2.788 3.193 ( -2.957 2.561 3.211) 5.061 3.282 ( 4.605 2.662 -2.567) 5.906 3.352 ( 3.716 0.571 -5.450) 6.621 3.398 ( -1.761 2.574 -2.265) 3.855 3.588 ( -3.437 -0.574 2.302) 4.176 3.673 ( -2.568 -2.453 -4.951) 6.094 3.710 ( -3.412 -4.214 7.265) 9.066 3.876 ( 4.722 -8.956 -8.360) 13.130 4.100 ( 3.613 -4.120 5.999) 8.125 4.183 ( 0.054 -0.872 0.645) 1.086 4.271 ( -0.069 3.424 0.325) 3.441 4.338 ( -0.777 -2.485 0.166) 2.609 4.456 ( 1.147 10.582 1.191) 10.711 4.539 ( -3.939 7.283 -3.973) 9.184 4.704 ( 2.970 16.915 7.054) 18.567 4.784 ( -0.559 7.106 -0.470) 7.144 4.817 ( 0.843 4.950 5.460) 7.418 4.873 ( 0.586 5.327 -0.657) 5.399 4.990 ( -1.323 0.520 -5.681) 5.856 5.063 ( -1.405 13.651 -6.079) 15.009 5.146 ( 0.115 2.747 2.903) 3.998 5.217 ( 0.937 2.711 -4.787) 5.580 5.285 ( -1.206 8.973 6.673) 11.247 5.438 ( -0.002 11.767 -8.223) 14.355 5.661 ( 0.387 11.578 4.135) 12.300 5.710 ( 1.464 2.700 0.888) 3.198 5.759 ( 0.945 -0.087 0.508) 1.076 5.818 ( -1.848 3.200 -2.743) 4.602 5.863 ( 0.321 -1.062 2.069) 2.347 5.965 ( -0.290 6.443 2.123) 6.790 6.096 ( -0.812 0.166 0.799) 1.151 6.210 ( -0.031 -1.996 -0.071) 1.997 6.268 ( 0.835 -1.500 -3.529) 3.924 6.393 ( -0.019 -3.534 1.043) 3.685 6.572 ( 0.776 -1.499 -0.157) 1.695 6.596 ( -0.093 -2.196 -1.125) 2.469 6.654 ( -0.772 1.782 0.178) 1.950 6.713 ( -1.119 -0.019 0.435) 1.201 6.794 ( 0.525 3.006 0.010) 3.051 6.919 ( -0.304 0.821 0.082) 0.879 7.015 ( -0.904 3.208 0.769) 3.420 7.022 ( 0.797 2.767 0.083) 2.881 7.094 ( 1.243 2.137 0.423) 2.508 7.151 ( -0.506 0.252 0.237) 0.613 7.179 ( 0.425 0.424 -1.591) 1.701 7.284 ( -0.238 0.223 -0.175) 0.370 7.310 ( -0.047 1.578 0.289) 1.605 7.401 ( 3.587 -0.428 0.147) 3.616 7.415 ( -2.719 -0.111 -1.192) 2.971 7.448 ( -0.069 1.074 0.248) 1.105 7.492 ( 1.269 -0.789 3.275) 3.599 7.557 ( -1.877 -1.291 5.124) 5.607 7.594 ( -1.896 -0.516 -0.563) 2.044 7.667 ( -0.012 2.427 -4.152) 4.809 7.693 ( 0.432 -3.990 0.981) 4.132 7.753 ( 1.080 -1.883 -4.639) 5.121 7.802 ( 1.496 0.756 1.076) 1.992 7.935 ( -0.395 2.338 -0.662) 2.462 8.043 ( -1.520 -2.438 0.806) 2.984 8.159 ( 0.595 1.295 -3.024) 3.343 8.215 ( 0.407 -1.960 3.393) 3.940 8.392 ( -1.919 -2.024 1.291) 3.073 8.424 ( -0.974 -1.805 0.941) 2.256 8.450 ( 2.561 -3.125 -2.078) 4.544 8.700 ( -0.373 -0.436 1.070) 1.214 8.750 ( 0.857 -2.285 -3.357) 4.150 8.864 ( 1.292 -4.549 4.300) 6.391 8.904 ( -2.370 -6.063 1.499) 6.680 9.024 ( 0.674 -4.234 -1.579) 4.568 9.079 ( -0.140 -3.148 -4.585) 5.563 9.217 ( -0.072 -2.073 0.969) 2.289 9.271 ( 0.104 -4.219 -1.431) 4.456 9.539 ( 0.167 -4.569 3.610) 5.826 9.591 ( -0.203 -4.410 -0.366) 4.430 10.045 ( 0.180 -1.664 0.095) 1.676 10.213 ( -0.123 -5.886 -0.446) 5.904 ======================= Grid point 91 (48/56) ======================= q-point: ( 0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.930 9.668 -0.006) 9.712 2.057 ( -2.609 8.027 -0.634) 8.464 2.175 ( -0.446 8.077 -0.892) 8.138 2.408 ( -0.319 8.086 -0.335) 8.099 2.420 ( 0.938 6.030 1.583) 6.305 2.598 ( 0.284 7.381 -1.595) 7.557 2.691 ( -2.225 9.892 -0.027) 10.139 2.730 ( 0.114 11.204 -3.784) 11.826 2.799 ( -1.848 0.619 1.649) 2.553 2.876 ( -6.544 2.334 4.916) 8.511 2.936 ( -0.708 3.563 -4.571) 5.839 2.968 ( -1.594 3.030 3.252) 4.722 3.028 ( 2.975 3.201 -1.981) 4.799 3.150 ( 0.326 1.133 2.872) 3.104 3.181 ( -0.570 5.269 5.259) 7.466 3.257 ( -4.544 4.316 -6.665) 9.148 3.332 ( -2.871 0.140 -0.589) 2.934 3.405 ( -1.377 0.669 -1.062) 1.863 3.492 ( 0.584 -1.623 2.347) 2.912 3.698 ( -0.659 -0.520 3.652) 3.747 3.760 ( 3.475 -3.821 -0.551) 5.194 3.862 ( -0.331 -10.533 -2.472) 10.824 4.008 ( -7.980 -4.322 -1.785) 9.249 4.203 ( 0.057 -6.164 0.701) 6.204 4.238 ( -0.553 4.674 -0.788) 4.772 4.373 ( 1.555 -2.773 0.506) 3.219 4.458 ( -0.995 4.955 -0.804) 5.117 4.517 ( 1.197 7.317 2.646) 7.873 4.738 ( -1.618 11.104 -0.651) 11.240 4.773 ( 2.566 13.483 4.306) 14.384 4.900 ( 3.341 2.856 -0.452) 4.418 4.976 ( 0.957 5.991 -2.162) 6.441 5.000 ( 2.785 9.891 -6.009) 11.904 5.018 ( 4.863 9.297 3.784) 11.153 5.161 ( 0.840 -0.352 0.708) 1.153 5.195 ( -5.537 5.333 4.475) 8.895 5.231 ( -0.957 7.814 -1.779) 8.070 5.394 ( -1.290 9.272 -7.208) 11.815 5.631 ( -3.529 8.169 0.265) 8.902 5.676 ( -3.523 6.660 2.384) 7.902 5.810 ( 4.266 -2.987 0.161) 5.210 5.867 ( 6.630 2.897 -0.834) 7.283 5.931 ( 3.391 1.157 0.904) 3.695 5.994 ( 1.966 6.577 0.917) 6.925 6.084 ( -0.417 0.982 1.851) 2.137 6.265 ( 3.746 -0.867 -1.066) 3.990 6.334 ( 5.585 1.233 -1.063) 5.817 6.433 ( 4.481 -2.910 0.706) 5.389 6.572 ( -0.210 -2.338 -1.089) 2.588 6.606 ( 0.995 -1.406 -1.877) 2.548 6.651 ( 1.039 1.696 0.856) 2.166 6.727 ( 1.725 1.100 1.776) 2.709 6.805 ( 0.379 1.588 -0.105) 1.636 6.902 ( -1.391 0.431 0.430) 1.518 6.969 ( -3.296 2.400 0.471) 4.104 7.042 ( -1.295 3.004 0.517) 3.312 7.054 ( -2.328 1.401 -0.390) 2.745 7.108 ( -4.143 1.118 -0.824) 4.369 7.195 ( 1.100 1.898 -1.001) 2.411 7.318 ( -0.192 0.358 -0.712) 0.820 7.326 ( 1.733 0.123 0.843) 1.931 7.371 ( 0.417 -0.870 -1.091) 1.456 7.434 ( -0.483 -0.176 1.685) 1.762 7.457 ( -1.171 -2.930 1.729) 3.598 7.466 ( -1.336 -0.999 0.244) 1.686 7.534 ( 1.614 -0.377 0.904) 1.889 7.602 ( 1.577 2.495 1.692) 3.402 7.681 ( 2.335 2.373 -1.933) 3.850 7.731 ( 0.530 -0.102 -0.583) 0.794 7.776 ( 0.852 -1.329 -2.076) 2.608 7.840 ( 4.234 -1.839 -2.139) 5.088 7.933 ( -1.152 -0.694 -2.711) 3.027 7.991 ( -1.707 -0.248 4.339) 4.669 8.133 ( -2.070 0.575 -0.955) 2.351 8.235 ( 0.426 -2.477 1.802) 3.093 8.365 ( -1.284 -3.868 1.983) 4.533 8.435 ( 2.320 -0.329 -0.597) 2.418 8.509 ( 3.152 -2.875 -1.316) 4.465 8.674 ( -2.777 -0.015 0.984) 2.946 8.754 ( 0.446 -2.959 -3.715) 4.771 8.852 ( -2.896 -5.552 1.426) 6.423 8.903 ( 0.956 -5.622 4.732) 7.411 8.996 ( -2.845 -2.945 -3.350) 5.291 9.062 ( -0.099 -4.684 -1.950) 5.075 9.227 ( 0.546 -2.604 0.530) 2.713 9.260 ( -0.616 -3.565 -0.505) 3.653 9.516 ( -2.995 -3.661 2.030) 5.147 9.585 ( -0.323 -4.319 -0.099) 4.332 10.028 ( -1.641 -1.063 -0.305) 1.979 10.199 ( -1.026 -5.609 -0.040) 5.702 ======================= Grid point 92 (49/56) ======================= q-point: ( 0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.683 9.380 -0.113) 9.406 2.022 ( -0.299 8.150 -1.702) 8.331 2.146 ( -1.717 8.434 -0.002) 8.607 2.408 ( 0.349 8.709 1.442) 8.835 2.467 ( 2.129 1.151 2.895) 3.773 2.563 ( -3.094 7.725 2.492) 8.687 2.635 ( -1.982 7.662 -5.297) 9.523 2.723 ( 0.240 12.189 -2.318) 12.410 2.762 ( 0.696 8.328 -0.467) 8.370 2.836 ( -0.761 5.949 1.778) 6.255 2.916 ( -0.035 5.615 -1.393) 5.786 2.948 ( -0.755 7.832 1.295) 7.975 3.029 ( -3.921 1.202 -1.424) 4.341 3.090 ( -5.914 4.225 0.849) 7.317 3.148 ( 1.408 6.998 -0.816) 7.185 3.240 ( 2.566 3.499 2.575) 5.046 3.321 ( 0.925 1.491 3.391) 3.818 3.419 ( 1.070 -5.164 -4.664) 7.040 3.497 ( -1.589 2.882 3.405) 4.735 3.658 ( -1.108 -9.004 1.772) 9.244 3.742 ( 0.303 -2.087 -1.572) 2.630 3.832 ( -6.104 -5.082 -3.773) 8.793 3.957 ( 1.843 -8.581 0.503) 8.791 4.174 ( -1.569 -9.819 -3.042) 10.398 4.313 ( 4.822 0.940 2.717) 5.614 4.382 ( 1.274 -1.232 0.376) 1.812 4.474 ( 1.479 3.816 0.770) 4.164 4.518 ( -1.196 7.616 2.062) 7.980 4.717 ( -0.346 10.416 0.535) 10.435 4.827 ( 0.735 11.705 3.271) 12.176 4.864 ( -3.887 4.420 -0.998) 5.970 4.963 ( 0.068 9.061 -2.882) 9.508 5.033 ( -2.001 3.428 0.478) 3.998 5.078 ( -1.378 3.821 4.923) 6.382 5.144 ( 2.730 7.265 -3.212) 8.400 5.222 ( 2.617 7.690 -0.357) 8.131 5.247 ( 2.733 3.802 -2.611) 5.361 5.328 ( -1.857 8.562 -5.908) 10.567 5.572 ( -1.468 7.302 -0.406) 7.459 5.669 ( 0.331 6.206 4.150) 7.473 5.893 ( 2.830 -3.022 -0.165) 4.144 5.960 ( 1.802 1.034 1.038) 2.322 5.981 ( 1.726 1.042 -0.563) 2.093 6.023 ( 0.673 8.104 -0.062) 8.132 6.091 ( 0.424 2.180 1.875) 2.906 6.316 ( 1.252 -0.622 0.179) 1.410 6.440 ( 4.429 5.383 0.280) 6.977 6.517 ( 0.930 1.263 0.084) 1.571 6.600 ( 3.503 -1.655 -0.623) 3.923 6.614 ( 0.438 0.774 -2.847) 2.982 6.711 ( 4.649 -0.421 0.668) 4.716 6.748 ( -0.661 1.025 1.177) 1.695 6.797 ( -1.792 -0.142 -0.530) 1.874 6.868 ( -2.296 -0.470 -0.366) 2.372 6.921 ( 0.155 1.367 1.158) 1.798 6.966 ( -3.541 0.240 0.434) 3.576 7.005 ( -1.910 0.858 1.353) 2.492 7.080 ( 0.452 4.031 -1.115) 4.207 7.181 ( -7.297 -2.016 -0.387) 7.580 7.211 ( 0.064 2.213 -0.868) 2.378 7.377 ( 1.794 -0.021 0.125) 1.798 7.385 ( -0.011 -0.359 -0.309) 0.474 7.471 ( 1.965 -1.333 1.836) 3.001 7.476 ( 3.049 -1.451 1.636) 3.752 7.502 ( 1.509 0.343 0.603) 1.661 7.562 ( 0.462 0.604 -0.968) 1.232 7.602 ( -0.126 1.472 -0.414) 1.534 7.684 ( -0.190 0.795 -1.445) 1.660 7.736 ( -2.041 -0.097 0.111) 2.047 7.748 ( -3.461 -1.702 0.551) 3.896 7.888 ( 3.592 1.480 -5.016) 6.344 7.945 ( 2.422 -0.051 -1.819) 3.029 8.038 ( 1.750 -2.103 4.009) 4.854 8.090 ( -0.005 -1.553 0.261) 1.575 8.239 ( -0.797 -1.368 1.939) 2.503 8.349 ( -0.768 -4.800 0.816) 4.930 8.502 ( 3.929 -1.015 -0.279) 4.068 8.539 ( -1.341 -2.224 -3.112) 4.053 8.612 ( -1.641 -0.675 3.847) 4.237 8.740 ( -0.578 -3.093 -4.953) 5.868 8.808 ( -1.868 -6.522 1.872) 7.038 8.892 ( -2.158 -3.431 -1.195) 4.226 8.971 ( 1.316 -4.183 3.857) 5.840 9.062 ( 0.541 -6.724 -1.397) 6.889 9.224 ( -1.142 -2.626 -0.778) 2.968 9.249 ( -0.301 -3.545 -0.167) 3.562 9.465 ( -1.807 -1.003 1.171) 2.375 9.580 ( -0.116 -4.150 -0.115) 4.153 9.995 ( -1.084 -0.020 -0.500) 1.194 10.182 ( -0.531 -5.352 0.219) 5.383 ======================= Grid point 93 (50/56) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -0.696 9.455 -0.066) 9.481 2.036 ( 2.267 7.437 -3.051) 8.353 2.131 ( 0.195 8.733 1.379) 8.844 2.402 ( -1.116 6.493 1.532) 6.764 2.515 ( 1.615 0.934 3.994) 4.408 2.563 ( 0.907 10.813 3.272) 11.334 2.586 ( -0.289 6.250 -7.087) 9.454 2.730 ( 0.324 10.463 -2.439) 10.748 2.797 ( 2.907 9.955 -2.299) 10.622 2.828 ( 0.402 6.696 0.706) 6.745 2.923 ( 0.025 8.575 3.146) 9.134 2.937 ( -0.485 1.824 -2.306) 2.980 2.980 ( 0.711 5.859 2.354) 6.355 3.046 ( 0.447 6.462 2.829) 7.068 3.186 ( 2.150 6.714 -3.228) 7.754 3.301 ( 2.584 1.294 -0.992) 3.055 3.322 ( -2.004 -0.457 3.985) 4.484 3.400 ( 0.592 0.093 -2.423) 2.496 3.533 ( 2.888 0.365 0.909) 3.049 3.649 ( -0.803 -10.854 1.270) 10.957 3.745 ( 1.337 -5.415 -2.087) 5.955 3.801 ( 3.939 -2.546 -1.134) 4.826 3.951 ( -2.701 -7.820 0.736) 8.306 4.141 ( -0.805 -8.371 -0.613) 8.432 4.324 ( -2.263 0.458 1.712) 2.874 4.402 ( -0.994 -3.458 -1.262) 3.813 4.498 ( -0.415 6.666 -0.573) 6.704 4.532 ( 1.666 8.212 1.825) 8.576 4.709 ( -1.134 8.741 0.032) 8.814 4.799 ( -3.338 3.947 5.306) 7.408 4.855 ( -0.523 11.765 -1.016) 11.821 4.942 ( 4.243 8.911 -0.922) 9.912 5.001 ( -1.405 4.078 2.049) 4.775 5.103 ( 0.364 5.610 4.344) 7.105 5.150 ( 0.929 1.871 -3.710) 4.258 5.231 ( -0.538 6.451 -3.762) 7.487 5.277 ( -1.509 10.515 -1.365) 10.710 5.335 ( 4.452 5.738 -7.129) 10.177 5.556 ( -0.134 7.950 0.655) 7.978 5.670 ( -1.576 6.051 4.297) 7.587 5.896 ( -2.264 -2.640 -0.572) 3.525 5.943 ( -3.312 2.231 1.515) 4.271 5.988 ( -1.126 -1.621 -0.720) 2.101 6.030 ( -0.394 9.726 -0.092) 9.735 6.099 ( -0.232 1.524 1.453) 2.118 6.320 ( -0.715 -0.837 -0.241) 1.127 6.429 ( -5.470 4.714 1.055) 7.298 6.502 ( -2.370 1.940 0.559) 3.113 6.608 ( -1.019 -2.022 -0.858) 2.422 6.621 ( -1.272 1.617 -2.838) 3.505 6.709 ( -3.549 -0.413 0.553) 3.615 6.752 ( 1.993 1.999 0.536) 2.873 6.824 ( -0.123 -0.773 -2.327) 2.455 6.854 ( 3.857 -0.623 0.873) 4.003 6.928 ( -0.409 0.772 0.367) 0.947 6.966 ( 3.222 0.293 0.821) 3.338 6.993 ( 0.767 0.837 2.292) 2.558 7.076 ( -0.348 3.983 -1.047) 4.133 7.171 ( 6.009 -0.989 0.324) 6.098 7.212 ( 0.581 1.180 -1.061) 1.690 7.364 ( -1.991 0.180 0.604) 2.088 7.389 ( -0.865 -0.675 0.018) 1.097 7.462 ( -2.125 -0.350 2.277) 3.134 7.494 ( -1.489 -0.487 -0.884) 1.799 7.514 ( -3.176 -1.435 1.322) 3.728 7.542 ( -1.114 1.417 -0.177) 1.811 7.617 ( 2.821 1.120 -0.411) 3.062 7.683 ( 0.629 0.051 -2.493) 2.572 7.724 ( 0.302 -0.012 1.325) 1.359 7.756 ( 4.434 -1.814 0.281) 4.799 7.846 ( -6.034 1.332 -1.781) 6.431 7.960 ( -0.329 0.065 -2.637) 2.658 8.070 ( 2.213 -1.336 1.384) 2.932 8.119 ( -1.396 -4.035 -3.699) 5.649 8.213 ( -1.680 0.662 6.046) 6.310 8.341 ( 0.468 -3.946 0.331) 3.988 8.479 ( -1.978 -0.992 1.161) 2.499 8.543 ( -0.538 -2.029 -2.675) 3.400 8.650 ( 2.354 -1.836 2.743) 4.054 8.717 ( 0.721 -2.517 -4.523) 5.226 8.798 ( 0.287 -5.257 1.866) 5.585 8.883 ( 1.437 -4.192 -0.253) 4.439 9.012 ( 0.733 -6.112 2.142) 6.517 9.077 ( 1.732 -7.479 -3.963) 8.639 9.202 ( 0.218 -1.146 1.205) 1.677 9.241 ( -0.621 -3.611 0.247) 3.673 9.461 ( 0.825 -0.503 1.334) 1.647 9.582 ( 0.379 -4.134 -0.222) 4.157 9.992 ( 0.962 0.019 -0.326) 1.016 10.185 ( 0.759 -5.455 0.030) 5.508 ======================= Grid point 94 (51/56) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -0.889 9.761 0.019) 9.801 2.082 ( 2.985 7.210 -2.789) 8.287 2.148 ( 0.475 8.437 1.376) 8.562 2.402 ( 0.747 8.561 0.053) 8.594 2.495 ( -3.094 1.593 -3.605) 5.011 2.574 ( 1.303 7.907 0.686) 8.043 2.627 ( 2.751 9.180 2.299) 9.855 2.726 ( 0.688 10.166 -2.124) 10.408 2.849 ( 1.467 4.079 0.081) 4.336 2.861 ( 1.946 3.131 0.408) 3.709 2.912 ( 0.129 3.018 2.930) 4.208 2.982 ( -0.290 8.105 1.663) 8.279 3.016 ( 5.626 2.871 -1.138) 6.418 3.097 ( 2.040 3.616 4.468) 6.099 3.189 ( 1.149 1.687 -2.751) 3.425 3.275 ( -3.356 -0.281 4.076) 5.287 3.344 ( 0.718 3.652 -5.592) 6.717 3.426 ( 1.043 4.396 -1.768) 4.852 3.550 ( 2.454 -2.698 -2.382) 4.356 3.731 ( 2.717 -8.948 6.553) 11.419 3.773 ( 2.191 -6.474 -5.500) 8.773 3.849 ( -5.411 -5.622 -3.734) 8.650 3.920 ( 7.213 -1.538 5.438) 9.164 4.151 ( 1.717 -5.941 2.488) 6.666 4.280 ( -1.392 5.197 -1.518) 5.591 4.372 ( -1.701 -1.921 0.524) 2.619 4.464 ( -1.764 5.061 -1.625) 5.600 4.572 ( 1.940 11.543 2.078) 11.888 4.672 ( -1.970 7.272 -0.804) 7.577 4.776 ( -0.697 6.582 4.323) 7.905 4.832 ( -1.277 8.729 3.604) 9.529 4.935 ( -4.025 7.734 -0.693) 8.746 5.051 ( 0.654 4.149 -4.967) 6.505 5.112 ( -1.322 7.288 0.429) 7.420 5.127 ( -1.681 5.060 0.433) 5.349 5.215 ( 1.188 3.433 -4.655) 5.905 5.256 ( 0.648 9.052 3.684) 9.794 5.401 ( 4.896 9.047 -9.149) 13.767 5.590 ( 3.297 10.139 3.357) 11.178 5.671 ( 1.176 4.672 3.075) 5.715 5.816 ( -4.865 -2.019 -0.326) 5.278 5.863 ( -4.090 4.868 -0.591) 6.385 5.929 ( -4.318 -3.494 0.651) 5.593 5.997 ( -2.614 9.222 1.223) 9.664 6.100 ( -0.066 -0.638 0.942) 1.139 6.276 ( -3.701 1.301 -2.628) 4.722 6.317 ( -4.835 -0.473 0.757) 4.917 6.425 ( -3.989 -2.953 1.068) 5.077 6.561 ( -0.323 -1.569 -0.773) 1.778 6.617 ( -0.892 -1.212 -1.375) 2.038 6.661 ( -0.525 2.218 -0.135) 2.283 6.760 ( -2.872 0.467 -1.123) 3.119 6.792 ( -0.333 2.369 1.120) 2.641 6.907 ( 1.574 -0.109 0.243) 1.597 6.978 ( 3.233 1.659 -0.979) 3.764 7.015 ( 2.520 1.980 2.764) 4.232 7.052 ( -0.369 2.499 0.153) 2.531 7.108 ( 5.573 1.306 -0.924) 5.798 7.192 ( -0.746 1.354 -0.965) 1.823 7.299 ( 1.666 0.281 0.321) 1.720 7.335 ( -0.065 0.085 1.881) 1.884 7.348 ( -2.755 -1.080 -0.401) 2.987 7.441 ( 0.107 -1.651 1.409) 2.173 7.461 ( -0.040 -1.207 0.557) 1.330 7.465 ( -0.975 1.397 -0.114) 1.707 7.534 ( 0.650 0.176 1.255) 1.424 7.637 ( -2.645 -0.427 0.696) 2.769 7.691 ( -1.934 3.294 -2.679) 4.665 7.721 ( 1.523 -0.414 -1.159) 1.958 7.753 ( -0.060 -0.919 -0.121) 0.928 7.804 ( -2.812 -2.269 0.042) 3.613 7.941 ( 0.587 -0.466 -2.385) 2.500 8.054 ( -1.378 -2.808 -0.478) 3.164 8.122 ( 2.661 0.294 -0.712) 2.770 8.213 ( -0.713 0.489 3.771) 3.868 8.376 ( 2.441 -1.278 0.097) 2.757 8.448 ( -2.257 -3.104 1.992) 4.324 8.485 ( -3.240 -2.802 -2.604) 5.014 8.689 ( 1.019 -1.210 1.296) 2.044 8.737 ( 1.591 -1.822 -3.083) 3.918 8.825 ( 1.496 -4.076 2.792) 5.162 8.919 ( 0.828 -6.500 2.075) 6.873 9.012 ( 0.179 -4.296 -1.531) 4.564 9.087 ( 0.779 -4.502 -5.585) 7.216 9.225 ( -0.817 -2.673 1.343) 3.101 9.249 ( 2.392 -4.439 0.121) 5.044 9.499 ( 2.132 -2.248 2.977) 4.296 9.590 ( 0.408 -4.381 -0.232) 4.406 10.022 ( 1.741 -0.961 0.000) 1.988 10.205 ( 1.011 -5.804 -0.358) 5.903 ======================= Grid point 95 (52/56) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -0.017 7.595 -0.388) 7.605 2.182 ( -0.029 -0.478 -1.348) 1.430 2.267 ( 0.419 3.656 0.060) 3.681 2.342 ( -0.727 -4.741 0.930) 4.886 2.614 ( 1.207 4.111 -1.918) 4.694 2.652 ( 1.300 -0.979 -1.187) 2.015 2.789 ( -1.227 5.700 4.908) 7.621 2.869 ( 0.930 3.116 -2.127) 3.886 2.914 ( -3.212 0.767 2.155) 3.943 2.937 ( -0.052 5.651 0.131) 5.652 2.965 ( 1.307 -2.361 1.044) 2.894 3.034 ( 0.239 -3.784 0.236) 3.799 3.039 ( -0.312 4.096 -0.145) 4.110 3.130 ( 2.010 -2.506 -3.630) 4.847 3.219 ( -0.964 6.397 -0.666) 6.503 3.327 ( -0.580 -0.682 -1.582) 1.818 3.425 ( -0.315 2.685 0.046) 2.704 3.437 ( -1.391 1.354 1.956) 2.755 3.548 ( -2.889 -0.379 3.720) 4.725 3.633 ( 0.434 -3.713 -0.085) 3.739 3.666 ( 2.855 -0.068 -0.570) 2.912 3.707 ( 0.636 -5.710 -3.553) 6.755 4.020 ( 0.565 -1.075 2.307) 2.607 4.084 ( 0.211 -6.208 -0.113) 6.213 4.329 ( -0.251 0.756 0.170) 0.815 4.331 ( -0.269 1.119 0.106) 1.156 4.605 ( 2.019 5.390 -0.112) 5.757 4.643 ( -1.956 2.215 -3.246) 4.390 4.845 ( 4.033 2.859 2.987) 5.776 4.870 ( 2.492 0.983 0.974) 2.850 4.887 ( -3.120 3.099 -0.488) 4.425 4.939 ( -3.614 -1.430 -3.719) 5.380 5.095 ( 1.542 4.332 1.371) 4.798 5.141 ( 0.472 -1.810 0.647) 1.979 5.216 ( -1.508 10.262 8.447) 13.377 5.357 ( -1.373 -1.550 7.430) 7.713 5.441 ( 0.531 11.067 -10.379) 15.182 5.553 ( -0.777 0.040 -8.847) 8.882 5.693 ( 0.918 -0.773 -0.696) 1.387 5.703 ( 1.534 -1.442 -1.404) 2.531 5.841 ( -1.958 2.678 4.029) 5.219 5.859 ( -1.531 0.348 3.528) 3.862 5.931 ( 2.527 6.378 -1.636) 7.053 6.027 ( 1.599 -3.043 1.346) 3.692 6.157 ( -1.409 6.066 0.143) 6.229 6.215 ( -2.357 0.190 1.558) 2.832 6.265 ( 2.271 1.981 -2.703) 4.048 6.329 ( 0.291 -3.326 0.320) 3.354 6.549 ( 0.643 -0.513 -0.816) 1.159 6.559 ( -0.389 -1.483 -1.557) 2.185 6.686 ( -1.118 1.452 0.578) 1.922 6.707 ( -0.955 -0.684 0.587) 1.313 6.860 ( 0.195 3.464 0.418) 3.495 6.913 ( 0.107 -1.627 -0.036) 1.631 7.072 ( -0.175 2.212 -0.467) 2.268 7.078 ( 1.099 2.510 -0.548) 2.795 7.107 ( 0.245 0.173 0.017) 0.300 7.147 ( 0.829 -2.349 -0.477) 2.536 7.238 ( -0.367 6.904 0.198) 6.917 7.281 ( 0.162 0.616 -0.079) 0.642 7.311 ( 0.018 -1.775 0.835) 1.962 7.384 ( 0.383 -6.104 1.252) 6.243 7.417 ( 0.223 1.660 0.020) 1.675 7.450 ( 0.712 -0.573 0.242) 0.945 7.462 ( -1.746 1.139 1.610) 2.634 7.517 ( -2.655 -2.832 3.592) 5.289 7.598 ( -0.180 0.925 1.561) 1.824 7.626 ( 1.669 -2.175 1.667) 3.208 7.711 ( 0.535 1.551 -5.409) 5.653 7.730 ( 0.634 -0.755 -4.950) 5.047 7.843 ( 0.757 3.642 -0.118) 3.722 7.920 ( 0.276 -3.457 -1.635) 3.835 8.056 ( -1.054 3.156 2.364) 4.081 8.123 ( 0.095 -3.363 1.333) 3.619 8.251 ( -0.642 3.748 -0.270) 3.812 8.331 ( -1.797 -4.175 0.428) 4.566 8.402 ( 1.874 -0.753 -0.672) 2.129 8.405 ( 0.165 -0.854 -1.069) 1.378 8.691 ( 0.433 0.358 0.093) 0.570 8.716 ( 0.464 -1.580 -0.973) 1.913 8.798 ( 0.073 -1.734 3.173) 3.616 8.812 ( -1.515 -3.056 1.975) 3.941 8.992 ( 0.291 0.458 -1.261) 1.373 9.025 ( 0.218 -2.554 -3.836) 4.614 9.191 ( 0.026 -0.530 0.546) 0.761 9.204 ( 0.106 -2.147 0.749) 2.276 9.488 ( -0.095 -0.536 0.910) 1.060 9.515 ( -0.056 -3.058 -0.255) 3.069 10.048 ( 0.077 1.890 0.061) 1.892 10.111 ( -0.037 -4.482 -0.081) 4.483 ======================= Grid point 96 (53/56) ======================= q-point: ( 0.20 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 0.286 6.639 -0.314) 6.652 2.150 ( -1.800 1.346 -1.233) 2.564 2.274 ( -0.299 3.208 0.072) 3.223 2.352 ( 1.076 -5.143 1.542) 5.476 2.607 ( -1.443 6.279 -2.197) 6.807 2.658 ( 0.158 -0.221 -2.383) 2.399 2.773 ( -3.032 1.944 3.649) 5.127 2.835 ( -0.515 -2.839 0.957) 3.040 2.905 ( 2.248 8.172 0.224) 8.478 2.945 ( -0.749 4.964 2.578) 5.644 2.991 ( 2.126 2.556 -3.944) 5.158 3.048 ( 0.435 3.433 0.027) 3.460 3.095 ( 3.268 -1.420 0.108) 3.565 3.162 ( 0.316 5.774 0.901) 5.852 3.185 ( 0.890 -4.313 -1.195) 4.563 3.276 ( -4.416 -2.351 0.036) 5.003 3.400 ( -3.267 3.908 4.805) 7.003 3.459 ( -0.686 7.541 -2.173) 7.878 3.486 ( 1.691 -2.030 1.064) 2.849 3.641 ( -2.902 -6.954 -2.585) 7.966 3.670 ( 0.508 -3.649 -0.230) 3.691 3.691 ( -1.546 -3.594 -1.039) 4.048 3.938 ( -7.638 -0.396 0.507) 7.665 4.023 ( -4.939 -8.201 -0.303) 9.578 4.325 ( 0.201 2.143 1.089) 2.412 4.345 ( 0.747 -0.562 0.358) 1.001 4.563 ( -2.080 4.974 -1.162) 5.515 4.607 ( -1.125 1.091 0.747) 1.736 4.860 ( -0.122 4.031 -2.200) 4.594 4.910 ( 0.308 -1.166 -3.217) 3.435 4.946 ( 4.633 4.495 3.198) 7.204 4.986 ( 4.970 -0.320 3.194) 5.916 5.123 ( 0.154 1.074 -1.353) 1.734 5.143 ( -0.228 -0.949 -1.771) 2.022 5.229 ( 0.781 8.623 7.005) 11.137 5.285 ( -5.644 3.021 3.716) 7.402 5.418 ( -0.368 7.667 -5.345) 9.353 5.489 ( -1.127 0.509 -6.928) 7.038 5.701 ( -1.290 1.065 -0.476) 1.739 5.725 ( -1.737 -0.570 0.577) 1.917 5.802 ( 1.446 2.068 1.915) 3.167 5.853 ( 1.691 -2.508 2.647) 4.019 6.032 ( 5.828 5.981 -2.357) 8.677 6.097 ( 2.766 -0.101 -0.090) 2.769 6.157 ( 0.915 6.478 2.018) 6.846 6.241 ( 2.713 -2.395 1.025) 3.761 6.365 ( 7.742 1.653 -1.064) 7.988 6.393 ( 6.698 -1.310 -0.582) 6.850 6.550 ( 0.608 0.208 -1.168) 1.333 6.573 ( 1.972 -1.769 -1.230) 2.921 6.694 ( 1.672 2.327 1.324) 3.157 6.728 ( 2.077 -0.939 1.917) 2.979 6.854 ( -0.866 2.973 -0.114) 3.098 6.898 ( -1.471 -1.192 -0.059) 1.894 7.013 ( -3.356 1.954 -0.175) 3.887 7.044 ( -4.066 -1.181 -0.311) 4.246 7.134 ( 1.685 4.628 -0.522) 4.953 7.169 ( -6.108 5.440 -0.363) 8.188 7.196 ( 2.408 -1.731 -1.628) 3.383 7.283 ( -6.220 -4.521 -0.284) 7.695 7.329 ( 3.539 0.472 0.405) 3.593 7.369 ( -1.034 -1.411 1.754) 2.477 7.376 ( 0.021 -0.937 0.789) 1.225 7.413 ( -1.334 -1.928 2.040) 3.108 7.480 ( 1.899 1.297 0.863) 2.456 7.510 ( 1.646 -1.660 1.231) 2.642 7.661 ( 2.762 3.376 2.280) 4.922 7.717 ( 2.769 -1.747 0.175) 3.279 7.726 ( 2.377 1.674 -3.510) 4.557 7.750 ( 2.767 -1.260 -3.026) 4.289 7.824 ( 0.196 1.205 -2.545) 2.823 7.877 ( -3.296 -3.412 -3.148) 5.693 8.040 ( -1.028 3.607 2.877) 4.727 8.108 ( -2.161 -2.983 0.620) 3.736 8.235 ( -0.808 2.180 2.480) 3.400 8.294 ( -1.864 -3.509 1.808) 4.365 8.432 ( 2.480 0.171 -1.122) 2.727 8.453 ( 3.002 -2.267 -2.075) 4.296 8.678 ( -2.080 1.002 -0.791) 2.440 8.713 ( -0.513 -1.955 -1.731) 2.661 8.775 ( -2.514 -1.294 2.586) 3.832 8.807 ( -0.149 -3.878 3.441) 5.186 8.971 ( -1.752 0.186 -1.457) 2.286 8.997 ( -1.574 -2.376 -2.508) 3.796 9.194 ( 0.045 -0.717 0.160) 0.736 9.204 ( -0.221 -1.860 0.589) 1.963 9.480 ( -0.835 0.046 0.631) 1.047 9.512 ( -0.174 -2.992 -0.169) 3.002 10.038 ( -0.924 2.056 -0.107) 2.257 10.102 ( -0.816 -4.347 0.028) 4.423 ======================= Grid point 97 (54/56) ======================= q-point: ( 0.40 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 0.291 5.192 -0.282) 5.208 2.124 ( -0.404 2.401 -1.407) 2.812 2.263 ( -0.615 4.869 0.603) 4.944 2.373 ( 0.393 -5.993 1.522) 6.196 2.570 ( -1.253 5.408 0.162) 5.554 2.644 ( -0.799 -2.173 -3.186) 3.938 2.739 ( -0.258 7.303 1.299) 7.422 2.849 ( -0.131 -1.833 -0.204) 1.849 2.927 ( -0.458 5.091 2.924) 5.888 2.961 ( 2.280 6.265 0.683) 6.702 3.011 ( 0.266 6.753 -2.167) 7.097 3.041 ( -0.802 3.065 -0.901) 3.294 3.114 ( -0.103 4.157 0.498) 4.188 3.167 ( -0.424 4.586 0.204) 4.610 3.228 ( 2.042 -6.032 0.913) 6.434 3.250 ( 3.050 -1.762 1.943) 4.023 3.364 ( -1.351 4.369 0.467) 4.597 3.422 ( -4.285 6.779 -0.950) 8.076 3.497 ( 0.663 -3.746 -0.063) 3.804 3.557 ( -0.193 3.110 -1.526) 3.470 3.621 ( -5.174 -7.175 -1.519) 8.975 3.722 ( 1.247 -12.887 -0.288) 12.951 3.816 ( -2.681 1.325 -0.572) 3.045 3.932 ( -3.183 -11.388 -0.859) 11.856 4.336 ( 0.341 1.499 1.170) 1.931 4.361 ( 0.690 -0.951 0.385) 1.237 4.571 ( 1.849 4.241 2.089) 5.076 4.605 ( 0.078 1.158 2.798) 3.029 4.849 ( -0.381 3.984 -1.331) 4.218 4.885 ( -1.574 0.043 -2.139) 2.656 5.005 ( 0.591 5.011 1.835) 5.369 5.048 ( 0.572 -0.256 0.989) 1.171 5.084 ( -2.397 2.508 1.913) 3.962 5.105 ( -2.479 0.275 -0.217) 2.504 5.259 ( 1.926 3.982 -1.764) 4.762 5.288 ( 3.327 1.344 -3.216) 4.818 5.394 ( -0.688 5.832 -1.504) 6.062 5.434 ( -2.153 1.856 -3.550) 4.548 5.680 ( -0.373 3.905 0.996) 4.047 5.724 ( 0.711 -0.084 2.144) 2.261 5.850 ( 1.521 -0.328 0.440) 1.617 5.882 ( 0.345 -3.245 1.609) 3.638 6.118 ( 2.551 4.461 -0.671) 5.182 6.136 ( 0.931 1.936 0.661) 2.248 6.185 ( 1.172 6.946 0.903) 7.102 6.282 ( 1.063 -3.198 0.828) 3.470 6.497 ( 3.838 1.643 -0.973) 4.286 6.536 ( 5.482 -1.991 -0.911) 5.903 6.591 ( 3.069 2.997 0.182) 4.293 6.632 ( 3.830 -0.555 -0.871) 3.966 6.736 ( 1.665 2.928 0.297) 3.381 6.775 ( 1.801 0.041 0.623) 1.906 6.828 ( -1.495 2.499 -0.640) 2.982 6.863 ( -1.708 -0.482 -0.147) 1.781 6.949 ( -2.122 1.810 0.229) 2.798 6.971 ( -2.840 -0.224 0.993) 3.017 7.031 ( -4.589 2.734 1.439) 5.532 7.112 ( -7.927 -4.474 0.557) 9.120 7.164 ( 0.955 4.193 -1.718) 4.631 7.225 ( 0.773 -1.471 -1.647) 2.340 7.371 ( 0.472 -0.304 0.526) 0.770 7.373 ( 0.264 -0.414 0.790) 0.930 7.433 ( 3.431 -0.945 1.768) 3.974 7.448 ( 3.377 -1.813 1.007) 3.963 7.517 ( 1.176 1.042 0.096) 1.574 7.542 ( 0.981 -1.539 -0.387) 1.865 7.648 ( -2.926 2.708 0.248) 3.995 7.700 ( -4.011 -1.941 -0.275) 4.464 7.718 ( -1.531 1.411 -1.304) 2.457 7.741 ( -0.274 -0.235 -0.547) 0.655 7.908 ( 6.455 0.583 -5.313) 8.380 7.921 ( 6.448 -1.254 -3.423) 7.407 8.024 ( -2.346 0.359 2.104) 3.172 8.048 ( -2.626 -2.158 0.877) 3.511 8.231 ( -0.921 0.469 4.226) 4.350 8.265 ( -1.751 -3.286 3.346) 5.006 8.488 ( 3.104 -0.120 -1.153) 3.313 8.503 ( 2.441 -1.515 -1.774) 3.376 8.609 ( -3.517 1.208 -0.673) 3.779 8.667 ( -3.012 -4.572 -1.911) 5.799 8.754 ( -0.365 1.221 2.007) 2.377 8.810 ( -0.395 -4.111 1.947) 4.566 8.939 ( -0.574 0.085 -0.157) 0.601 8.968 ( -0.484 -3.054 -1.476) 3.426 9.192 ( -0.296 -0.660 -0.005) 0.723 9.200 ( -0.291 -1.539 0.195) 1.578 9.467 ( -0.416 1.218 0.312) 1.324 9.509 ( -0.026 -3.015 -0.186) 3.020 10.020 ( -0.626 2.487 -0.186) 2.571 10.087 ( -0.488 -4.334 0.104) 4.363 ======================= Grid point 98 (55/56) ======================= q-point: (-0.40 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -0.238 5.100 -0.213) 5.110 2.125 ( 1.016 1.959 -1.555) 2.699 2.260 ( 0.036 5.674 0.881) 5.742 2.381 ( -0.044 -6.112 1.041) 6.200 2.565 ( 0.368 3.933 0.818) 4.034 2.622 ( -0.259 -1.620 -1.927) 2.531 2.749 ( 0.874 7.576 0.390) 7.636 2.837 ( -0.441 -0.323 0.836) 0.999 2.934 ( -0.111 3.774 1.295) 3.992 2.964 ( -1.800 2.811 1.251) 3.565 3.014 ( 1.566 8.777 -1.605) 9.059 3.041 ( -0.187 4.690 -0.888) 4.777 3.118 ( -0.326 4.461 -0.567) 4.509 3.157 ( -1.032 5.127 -0.779) 5.287 3.231 ( -0.746 -2.624 2.832) 3.932 3.330 ( 2.985 -3.189 -4.685) 6.406 3.376 ( 1.799 4.377 0.945) 4.825 3.385 ( 2.474 -0.221 2.199) 3.318 3.512 ( -1.491 3.364 -2.484) 4.439 3.526 ( -0.505 -1.145 0.589) 1.383 3.600 ( 4.295 -5.154 0.299) 6.716 3.717 ( -1.569 -13.609 -0.049) 13.699 3.811 ( 2.208 1.322 -0.153) 2.578 3.921 ( 2.461 -10.916 -0.155) 11.191 4.340 ( -0.338 1.214 0.934) 1.569 4.362 ( -0.717 -1.081 0.226) 1.317 4.603 ( 0.204 3.797 0.258) 3.811 4.628 ( 1.453 1.548 2.161) 3.030 4.824 ( -2.249 3.429 -0.665) 4.154 4.846 ( -2.028 0.942 0.392) 2.270 5.019 ( -0.902 4.966 0.099) 5.048 5.043 ( 2.163 2.258 1.261) 3.372 5.069 ( 0.166 1.872 1.244) 2.254 5.098 ( 0.685 -1.745 2.261) 2.937 5.257 ( -1.207 5.222 -2.444) 5.891 5.304 ( -0.276 0.675 -2.602) 2.703 5.423 ( 3.071 3.725 -2.443) 5.410 5.428 ( 2.932 2.897 -4.562) 6.148 5.675 ( -0.628 4.333 1.540) 4.641 5.724 ( -1.317 -0.215 2.120) 2.505 5.855 ( -1.039 -0.297 0.023) 1.081 5.885 ( -0.507 -2.961 1.398) 3.313 6.098 ( -3.908 5.032 0.561) 6.396 6.131 ( -2.112 1.038 1.055) 2.579 6.205 ( 0.276 6.498 -0.405) 6.517 6.287 ( -0.580 -2.677 0.497) 2.783 6.481 ( -4.967 2.047 -0.001) 5.372 6.527 ( -6.240 -2.304 -0.298) 6.659 6.599 ( -2.156 3.262 -0.321) 3.924 6.644 ( -2.743 -0.779 -1.499) 3.222 6.745 ( -0.890 3.858 -0.563) 3.999 6.804 ( 0.334 -1.575 -1.051) 1.923 6.816 ( 1.186 2.991 -0.294) 3.231 6.854 ( 0.998 -0.338 0.609) 1.217 6.951 ( 2.063 1.682 0.165) 2.667 6.968 ( 1.569 -0.161 1.430) 2.129 7.022 ( 3.590 2.824 2.035) 5.000 7.103 ( 6.773 -4.001 0.804) 7.907 7.165 ( -0.160 3.475 -1.505) 3.791 7.219 ( -0.834 -1.446 -1.194) 2.052 7.371 ( -0.313 0.623 0.606) 0.924 7.376 ( -0.946 -0.229 0.539) 1.113 7.439 ( -4.375 -2.241 1.164) 5.052 7.441 ( -2.616 -1.681 1.570) 3.484 7.526 ( -0.264 1.079 -0.574) 1.251 7.546 ( -0.688 -0.791 -0.402) 1.123 7.655 ( 3.534 2.275 -0.019) 4.203 7.684 ( 1.376 -0.399 0.089) 1.435 7.722 ( 2.877 -0.135 -1.238) 3.134 7.731 ( 0.096 -0.631 0.189) 0.666 7.872 ( -6.832 1.767 -1.662) 7.250 7.923 ( -4.189 -3.160 -3.592) 6.359 8.057 ( 4.185 0.167 -0.677) 4.242 8.071 ( 1.944 -1.178 -1.848) 2.930 8.224 ( -0.663 0.690 5.477) 5.560 8.261 ( 0.804 -3.412 3.537) 4.980 8.484 ( -2.619 1.401 -1.255) 3.224 8.514 ( -1.799 -1.244 -2.376) 3.230 8.613 ( 3.293 -0.942 -0.698) 3.496 8.643 ( 2.133 -4.152 -0.115) 4.669 8.761 ( 0.461 1.254 1.455) 1.975 8.810 ( 0.049 -3.433 1.584) 3.781 8.947 ( 1.079 -0.807 -0.059) 1.349 8.972 ( 1.529 -3.349 -2.222) 4.300 9.186 ( -0.102 -0.333 0.559) 0.659 9.195 ( -0.294 -1.326 0.324) 1.397 9.468 ( 0.345 1.281 0.265) 1.353 9.511 ( 0.216 -3.066 -0.259) 3.084 10.018 ( 0.553 2.584 -0.103) 2.644 10.088 ( 0.536 -4.447 0.051) 4.480 ======================= Grid point 99 (56/56) ======================= q-point: (-0.20 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -0.090 6.561 -0.334) 6.570 2.155 ( 2.292 0.523 -1.647) 2.871 2.265 ( 0.097 4.582 0.823) 4.656 2.368 ( -1.529 -5.929 0.473) 6.141 2.585 ( 1.634 3.676 -0.454) 4.049 2.627 ( 0.983 -0.943 -0.121) 1.368 2.780 ( 1.310 6.450 2.635) 7.090 2.845 ( 1.184 0.174 -0.132) 1.203 2.922 ( -0.216 4.122 -0.245) 4.135 2.939 ( -1.363 2.860 0.699) 3.245 2.996 ( -2.163 5.769 -1.258) 6.289 3.049 ( -0.333 0.078 1.778) 1.810 3.089 ( -2.631 1.087 -1.146) 3.069 3.126 ( -0.896 -1.275 -1.492) 2.158 3.209 ( -0.123 6.257 -1.231) 6.378 3.353 ( -1.977 2.078 1.649) 3.309 3.418 ( 4.560 -2.481 -3.906) 6.497 3.464 ( 1.007 4.454 0.679) 4.617 3.493 ( 1.714 -2.058 0.879) 2.819 3.577 ( 3.501 -2.922 0.824) 4.634 3.664 ( 0.104 -4.882 0.502) 4.909 3.695 ( 1.435 -7.116 -1.507) 7.414 3.915 ( 7.039 1.796 1.936) 7.518 4.009 ( 5.614 -7.325 0.676) 9.254 4.331 ( -0.581 1.222 0.673) 1.511 4.348 ( -0.650 -0.715 0.195) 0.985 4.586 ( -0.646 5.926 -2.813) 6.591 4.654 ( 0.756 -0.549 -2.440) 2.613 4.790 ( -0.084 4.272 3.038) 5.242 4.831 ( 0.513 0.076 2.780) 2.828 4.977 ( -3.915 6.133 0.657) 7.306 5.057 ( -1.566 0.628 -2.440) 2.967 5.079 ( -1.997 -0.039 2.116) 2.910 5.120 ( 1.510 -2.015 0.109) 2.520 5.232 ( -1.983 8.757 4.581) 10.080 5.323 ( 2.417 0.574 3.320) 4.147 5.443 ( 1.456 7.742 -7.709) 11.022 5.504 ( 5.516 1.254 -8.324) 10.064 5.684 ( 1.086 1.644 1.445) 2.443 5.712 ( -0.133 -0.317 1.754) 1.787 5.817 ( -1.682 2.033 0.756) 2.745 5.867 ( -1.331 -2.769 1.720) 3.521 5.994 ( -5.852 6.455 0.102) 8.713 6.071 ( -3.725 -1.398 1.628) 4.299 6.191 ( -1.321 6.783 -0.315) 6.917 6.267 ( -1.511 -1.831 -0.759) 2.492 6.342 ( -8.356 1.737 0.507) 8.550 6.376 ( -5.959 -2.054 0.224) 6.307 6.553 ( -1.173 0.864 -1.255) 1.923 6.583 ( -1.888 -1.920 -1.576) 3.120 6.716 ( -1.711 3.044 -0.123) 3.495 6.758 ( -3.373 -0.969 -0.287) 3.521 6.846 ( 1.012 2.852 0.321) 3.043 6.892 ( 1.920 -1.582 0.314) 2.508 7.007 ( 3.163 1.370 0.162) 3.451 7.030 ( 4.216 -0.691 0.727) 4.334 7.117 ( -0.246 4.292 0.445) 4.322 7.176 ( 5.249 5.252 -0.646) 7.453 7.180 ( -1.572 -1.989 -0.630) 2.613 7.277 ( 6.173 -3.568 0.300) 7.136 7.326 ( -3.412 -0.082 0.542) 3.456 7.361 ( -1.586 -2.451 1.773) 3.415 7.374 ( 0.820 1.224 1.029) 1.797 7.429 ( 0.569 -2.446 0.757) 2.623 7.498 ( -1.941 1.619 -0.077) 2.529 7.526 ( -0.994 -1.054 1.103) 1.820 7.647 ( -3.545 1.400 1.281) 4.020 7.687 ( -2.818 -2.530 0.447) 3.813 7.742 ( -2.660 1.037 -2.655) 3.899 7.760 ( -1.655 -0.337 -2.840) 3.305 7.789 ( 3.051 3.494 -0.057) 4.639 7.879 ( 3.526 -4.610 -3.197) 6.626 8.068 ( -0.882 2.354 1.160) 2.769 8.109 ( 1.138 -1.549 0.408) 1.965 8.242 ( 0.963 2.533 1.954) 3.341 8.312 ( 2.720 -4.374 1.086) 5.264 8.424 ( -2.920 0.456 -0.576) 3.011 8.446 ( -3.242 -1.477 -2.258) 4.218 8.668 ( 1.971 -0.080 0.005) 1.973 8.696 ( 1.924 -2.494 0.077) 3.150 8.781 ( 0.877 0.062 1.855) 2.053 8.820 ( 0.049 -3.716 2.094) 4.266 8.972 ( 1.597 0.071 -1.211) 2.006 9.008 ( 2.386 -3.354 -3.627) 5.486 9.191 ( -0.215 -0.841 0.761) 1.155 9.194 ( 0.502 -1.313 0.977) 1.712 9.480 ( 0.583 0.370 0.615) 0.925 9.515 ( 0.215 -3.116 -0.285) 3.137 10.036 ( 0.965 2.234 0.039) 2.434 10.103 ( 0.798 -4.550 -0.058) 4.620 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/17550 10.0 299.320 591.968 475.627 0.000 -45.543 0.000 3/17550 20.0 76.424 156.799 90.720 0.000 -7.161 0.000 3/17550 30.0 35.754 75.796 38.321 0.000 -3.028 0.000 3/17550 40.0 21.093 46.657 21.823 0.000 -1.679 0.000 3/17550 50.0 14.140 32.237 14.439 0.000 -1.083 0.000 3/17550 60.0 10.307 23.984 10.466 0.000 -0.768 0.000 3/17550 70.0 7.978 18.823 8.074 0.000 -0.581 0.000 3/17550 80.0 6.455 15.379 6.517 0.000 -0.461 0.000 3/17550 90.0 5.401 12.958 5.442 0.000 -0.380 0.000 3/17550 100.0 4.638 11.182 4.664 0.000 -0.322 0.000 3/17550 110.0 4.062 9.832 4.079 0.000 -0.278 0.000 3/17550 120.0 3.615 8.775 3.625 0.000 -0.245 0.000 3/17550 130.0 3.258 7.927 3.263 0.000 -0.219 0.000 3/17550 140.0 2.967 7.232 2.969 0.000 -0.198 0.000 3/17550 150.0 2.726 6.653 2.724 0.000 -0.181 0.000 3/17550 160.0 2.521 6.162 2.518 0.000 -0.166 0.000 3/17550 170.0 2.347 5.741 2.342 0.000 -0.154 0.000 3/17550 180.0 2.196 5.376 2.190 0.000 -0.143 0.000 3/17550 190.0 2.063 5.056 2.057 0.000 -0.134 0.000 3/17550 200.0 1.947 4.773 1.940 0.000 -0.126 0.000 3/17550 210.0 1.843 4.521 1.836 0.000 -0.119 0.000 3/17550 220.0 1.750 4.295 1.743 0.000 -0.113 0.000 3/17550 230.0 1.666 4.091 1.659 0.000 -0.107 0.000 3/17550 240.0 1.591 3.907 1.583 0.000 -0.102 0.000 3/17550 250.0 1.522 3.739 1.514 0.000 -0.097 0.000 3/17550 260.0 1.459 3.585 1.451 0.000 -0.093 0.000 3/17550 270.0 1.401 3.443 1.393 0.000 -0.089 0.000 3/17550 280.0 1.347 3.313 1.340 0.000 -0.086 0.000 3/17550 290.0 1.298 3.192 1.290 0.000 -0.082 0.000 3/17550 300.0 1.252 3.080 1.245 0.000 -0.079 0.000 3/17550 310.0 1.210 2.976 1.202 0.000 -0.077 0.000 3/17550 320.0 1.170 2.878 1.163 0.000 -0.074 0.000 3/17550 330.0 1.133 2.787 1.125 0.000 -0.072 0.000 3/17550 340.0 1.098 2.702 1.091 0.000 -0.069 0.000 3/17550 350.0 1.065 2.622 1.058 0.000 -0.067 0.000 3/17550 360.0 1.034 2.546 1.027 0.000 -0.065 0.000 3/17550 370.0 1.005 2.475 0.999 0.000 -0.063 0.000 3/17550 380.0 0.978 2.408 0.971 0.000 -0.062 0.000 3/17550 390.0 0.952 2.344 0.945 0.000 -0.060 0.000 3/17550 400.0 0.927 2.284 0.921 0.000 -0.058 0.000 3/17550 410.0 0.904 2.227 0.898 0.000 -0.057 0.000 3/17550 420.0 0.882 2.172 0.876 0.000 -0.055 0.000 3/17550 430.0 0.861 2.121 0.855 0.000 -0.054 0.000 3/17550 440.0 0.841 2.071 0.835 0.000 -0.053 0.000 3/17550 450.0 0.822 2.024 0.816 0.000 -0.052 0.000 3/17550 460.0 0.803 1.979 0.798 0.000 -0.050 0.000 3/17550 470.0 0.786 1.936 0.780 0.000 -0.049 0.000 3/17550 480.0 0.769 1.895 0.763 0.000 -0.048 0.000 3/17550 490.0 0.753 1.856 0.748 0.000 -0.047 0.000 3/17550 500.0 0.738 1.818 0.732 0.000 -0.046 0.000 3/17550 510.0 0.723 1.782 0.718 0.000 -0.045 0.000 3/17550 520.0 0.709 1.747 0.704 0.000 -0.044 0.000 3/17550 530.0 0.695 1.713 0.690 0.000 -0.043 0.000 3/17550 540.0 0.682 1.681 0.677 0.000 -0.043 0.000 3/17550 550.0 0.670 1.650 0.664 0.000 -0.042 0.000 3/17550 560.0 0.657 1.620 0.652 0.000 -0.041 0.000 3/17550 570.0 0.646 1.591 0.641 0.000 -0.040 0.000 3/17550 580.0 0.634 1.564 0.629 0.000 -0.040 0.000 3/17550 590.0 0.623 1.537 0.619 0.000 -0.039 0.000 3/17550 600.0 0.613 1.511 0.608 0.000 -0.038 0.000 3/17550 610.0 0.603 1.486 0.598 0.000 -0.038 0.000 3/17550 620.0 0.593 1.462 0.588 0.000 -0.037 0.000 3/17550 630.0 0.583 1.438 0.579 0.000 -0.036 0.000 3/17550 640.0 0.574 1.415 0.570 0.000 -0.036 0.000 3/17550 650.0 0.565 1.393 0.561 0.000 -0.035 0.000 3/17550 660.0 0.557 1.372 0.552 0.000 -0.035 0.000 3/17550 670.0 0.548 1.351 0.544 0.000 -0.034 0.000 3/17550 680.0 0.540 1.331 0.536 0.000 -0.034 0.000 3/17550 690.0 0.532 1.312 0.528 0.000 -0.033 0.000 3/17550 700.0 0.524 1.293 0.520 0.000 -0.033 0.000 3/17550 710.0 0.517 1.275 0.513 0.000 -0.032 0.000 3/17550 720.0 0.510 1.257 0.506 0.000 -0.032 0.000 3/17550 730.0 0.503 1.239 0.499 0.000 -0.031 0.000 3/17550 740.0 0.496 1.223 0.492 0.000 -0.031 0.000 3/17550 750.0 0.489 1.206 0.485 0.000 -0.030 0.000 3/17550 760.0 0.483 1.190 0.479 0.000 -0.030 0.000 3/17550 770.0 0.476 1.175 0.473 0.000 -0.030 0.000 3/17550 780.0 0.470 1.159 0.466 0.000 -0.029 0.000 3/17550 790.0 0.464 1.145 0.460 0.000 -0.029 0.000 3/17550 800.0 0.458 1.130 0.455 0.000 -0.029 0.000 3/17550 810.0 0.453 1.116 0.449 0.000 -0.028 0.000 3/17550 820.0 0.447 1.102 0.443 0.000 -0.028 0.000 3/17550 830.0 0.442 1.089 0.438 0.000 -0.028 0.000 3/17550 840.0 0.436 1.076 0.433 0.000 -0.027 0.000 3/17550 850.0 0.431 1.063 0.428 0.000 -0.027 0.000 3/17550 860.0 0.426 1.051 0.423 0.000 -0.027 0.000 3/17550 870.0 0.421 1.039 0.418 0.000 -0.026 0.000 3/17550 880.0 0.416 1.027 0.413 0.000 -0.026 0.000 3/17550 890.0 0.412 1.015 0.408 0.000 -0.026 0.000 3/17550 900.0 0.407 1.004 0.404 0.000 -0.025 0.000 3/17550 910.0 0.403 0.993 0.399 0.000 -0.025 0.000 3/17550 920.0 0.398 0.982 0.395 0.000 -0.025 0.000 3/17550 930.0 0.394 0.971 0.391 0.000 -0.025 0.000 3/17550 940.0 0.390 0.961 0.386 0.000 -0.024 0.000 3/17550 950.0 0.386 0.951 0.382 0.000 -0.024 0.000 3/17550 960.0 0.382 0.941 0.378 0.000 -0.024 0.000 3/17550 970.0 0.378 0.931 0.374 0.000 -0.023 0.000 3/17550 980.0 0.374 0.922 0.371 0.000 -0.023 0.000 3/17550 990.0 0.370 0.912 0.367 0.000 -0.023 0.000 3/17550 1000.0 0.366 0.903 0.363 0.000 -0.023 0.000 3/17550 Thermal conductivity related properties were written into "kappa-m5133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:18:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|