----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:19:19]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.057195739999997 0.000000000000000 0.000000000000000 b 0.000000000000000 6.094575000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.666461050000000 Atomic positions (fractional): *1 F 0.74687364178720 0.25000000000000 0.71779309649077 18.998 2 F 0.25312635821280 0.75000000000000 0.28220690350923 18.998 3 F 0.75312635821280 0.75000000000000 0.21779309649077 18.998 4 F 0.24687364178720 0.25000000000000 0.78220690350923 18.998 *5 F 0.42917869946052 0.95555192230058 0.18773102858350 18.998 6 F 0.57082130053948 0.45555192230058 0.81226897141650 18.998 7 F 0.07082130053948 0.04444807769942 0.68773102858350 18.998 8 F 0.92917869946052 0.54444807769942 0.31226897141650 18.998 *9 F 0.14691514627797 0.45141186482891 0.99655761035510 18.998 10 F 0.85308485372204 0.95141186482891 0.00344238964491 18.998 11 F 0.35308485372204 0.54858813517109 0.49655761035509 18.998 12 F 0.64691514627796 0.04858813517109 0.50344238964490 18.998 13 F 0.85308485372204 0.54858813517109 0.00344238964491 18.998 14 F 0.14691514627797 0.04858813517109 0.99655761035510 18.998 15 F 0.64691514627796 0.45141186482891 0.50344238964490 18.998 16 F 0.35308485372204 0.95141186482891 0.49655761035509 18.998 17 F 0.07082130053948 0.45555192230058 0.68773102858350 18.998 18 F 0.92917869946052 0.95555192230058 0.31226897141650 18.998 19 F 0.42917869946052 0.54444807769942 0.18773102858350 18.998 20 F 0.57082130053948 0.04444807769942 0.81226897141650 18.998 *21 S 0.59436956531486 0.25000000000000 0.65141294616022 32.065 22 S 0.40563043468514 0.75000000000000 0.34858705383978 32.065 23 S 0.90563043468514 0.75000000000000 0.15141294616022 32.065 24 S 0.09436956531486 0.25000000000000 0.84858705383978 32.065 *25 Rb 0.65739293485340 0.25000000000000 0.15104688433626 85.468 26 Rb 0.34260706514660 0.75000000000000 0.84895311566374 85.468 27 Rb 0.84260706514660 0.75000000000000 0.65104688433626 85.468 28 Rb 0.15739293485340 0.25000000000000 0.34895311566374 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.057195739999997 0.000000000000000 0.000000000000000 b 0.000000000000000 6.094575000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.666461050000000 Atomic positions (fractional): *1 F 0.74687364178720 0.25000000000000 0.71779309649077 18.998 > 1 2 F 0.25312635821280 0.75000000000000 0.28220690350923 18.998 > 2 3 F 0.75312635821280 0.75000000000000 0.21779309649077 18.998 > 3 4 F 0.24687364178720 0.25000000000000 0.78220690350923 18.998 > 4 *5 F 0.42917869946052 0.95555192230058 0.18773102858350 18.998 > 5 6 F 0.57082130053948 0.45555192230058 0.81226897141650 18.998 > 6 7 F 0.07082130053948 0.04444807769942 0.68773102858350 18.998 > 7 8 F 0.92917869946052 0.54444807769942 0.31226897141650 18.998 > 8 *9 F 0.14691514627797 0.45141186482891 0.99655761035510 18.998 > 9 10 F 0.85308485372204 0.95141186482891 0.00344238964491 18.998 > 10 11 F 0.35308485372204 0.54858813517109 0.49655761035509 18.998 > 11 12 F 0.64691514627796 0.04858813517109 0.50344238964490 18.998 > 12 13 F 0.85308485372204 0.54858813517109 0.00344238964491 18.998 > 13 14 F 0.14691514627797 0.04858813517109 0.99655761035510 18.998 > 14 15 F 0.64691514627796 0.45141186482891 0.50344238964490 18.998 > 15 16 F 0.35308485372204 0.95141186482891 0.49655761035509 18.998 > 16 17 F 0.07082130053948 0.45555192230058 0.68773102858350 18.998 > 17 18 F 0.92917869946052 0.95555192230058 0.31226897141650 18.998 > 18 19 F 0.42917869946052 0.54444807769942 0.18773102858350 18.998 > 19 20 F 0.57082130053948 0.04444807769942 0.81226897141650 18.998 > 20 *21 S 0.59436956531486 0.25000000000000 0.65141294616022 32.065 > 21 22 S 0.40563043468514 0.75000000000000 0.34858705383978 32.065 > 22 23 S 0.90563043468514 0.75000000000000 0.15141294616022 32.065 > 23 24 S 0.09436956531486 0.25000000000000 0.84858705383978 32.065 > 24 *25 Rb 0.65739293485340 0.25000000000000 0.15104688433626 85.468 > 25 26 Rb 0.34260706514660 0.75000000000000 0.84895311566374 85.468 > 26 27 Rb 0.84260706514660 0.75000000000000 0.65104688433626 85.468 > 27 28 Rb 0.15739293485340 0.25000000000000 0.34895311566374 85.468 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.057195739999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.189150000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.332922099999999 Atomic positions (fractional): *1 F 0.74687364178720 0.12500000000000 0.35889654824539 18.998 > 1 2 F 0.74687364178720 0.62500000000000 0.35889654824539 18.998 > 1 3 F 0.74687364178720 0.12500000000000 0.85889654824539 18.998 > 1 4 F 0.74687364178720 0.62500000000000 0.85889654824539 18.998 > 1 5 F 0.25312635821280 0.37500000000000 0.14110345175461 18.998 > 2 6 F 0.25312635821280 0.87500000000000 0.14110345175461 18.998 > 2 7 F 0.25312635821280 0.37500000000000 0.64110345175461 18.998 > 2 8 F 0.25312635821280 0.87500000000000 0.64110345175461 18.998 > 2 9 F 0.75312635821280 0.37500000000000 0.10889654824539 18.998 > 3 10 F 0.75312635821280 0.87500000000000 0.10889654824539 18.998 > 3 11 F 0.75312635821280 0.37500000000000 0.60889654824539 18.998 > 3 12 F 0.75312635821280 0.87500000000000 0.60889654824539 18.998 > 3 13 F 0.24687364178720 0.12500000000000 0.39110345175461 18.998 > 4 14 F 0.24687364178720 0.62500000000000 0.39110345175461 18.998 > 4 15 F 0.24687364178720 0.12500000000000 0.89110345175461 18.998 > 4 16 F 0.24687364178720 0.62500000000000 0.89110345175461 18.998 > 4 *17 F 0.42917869946052 0.47777596115029 0.09386551429175 18.998 > 5 18 F 0.42917869946052 0.97777596115029 0.09386551429175 18.998 > 5 19 F 0.42917869946052 0.47777596115029 0.59386551429175 18.998 > 5 20 F 0.42917869946052 0.97777596115029 0.59386551429175 18.998 > 5 21 F 0.57082130053948 0.22777596115029 0.40613448570825 18.998 > 6 22 F 0.57082130053948 0.72777596115029 0.40613448570825 18.998 > 6 23 F 0.57082130053948 0.22777596115029 0.90613448570825 18.998 > 6 24 F 0.57082130053948 0.72777596115029 0.90613448570825 18.998 > 6 25 F 0.07082130053948 0.02222403884971 0.34386551429175 18.998 > 7 26 F 0.07082130053948 0.52222403884971 0.34386551429175 18.998 > 7 27 F 0.07082130053948 0.02222403884971 0.84386551429175 18.998 > 7 28 F 0.07082130053948 0.52222403884971 0.84386551429175 18.998 > 7 29 F 0.92917869946052 0.27222403884971 0.15613448570825 18.998 > 8 30 F 0.92917869946052 0.77222403884971 0.15613448570825 18.998 > 8 31 F 0.92917869946052 0.27222403884971 0.65613448570825 18.998 > 8 32 F 0.92917869946052 0.77222403884971 0.65613448570825 18.998 > 8 *33 F 0.14691514627797 0.22570593241446 0.49827880517755 18.998 > 9 34 F 0.14691514627797 0.72570593241446 0.49827880517755 18.998 > 9 35 F 0.14691514627797 0.22570593241446 0.99827880517755 18.998 > 9 36 F 0.14691514627797 0.72570593241446 0.99827880517755 18.998 > 9 37 F 0.85308485372204 0.47570593241446 0.00172119482245 18.998 > 10 38 F 0.85308485372204 0.97570593241446 0.00172119482245 18.998 > 10 39 F 0.85308485372204 0.47570593241446 0.50172119482245 18.998 > 10 40 F 0.85308485372204 0.97570593241446 0.50172119482245 18.998 > 10 41 F 0.35308485372204 0.27429406758554 0.24827880517755 18.998 > 11 42 F 0.35308485372204 0.77429406758554 0.24827880517755 18.998 > 11 43 F 0.35308485372204 0.27429406758554 0.74827880517755 18.998 > 11 44 F 0.35308485372204 0.77429406758554 0.74827880517755 18.998 > 11 45 F 0.64691514627796 0.02429406758554 0.25172119482245 18.998 > 12 46 F 0.64691514627796 0.52429406758554 0.25172119482245 18.998 > 12 47 F 0.64691514627796 0.02429406758554 0.75172119482245 18.998 > 12 48 F 0.64691514627796 0.52429406758554 0.75172119482245 18.998 > 12 49 F 0.85308485372204 0.27429406758554 0.00172119482245 18.998 > 13 50 F 0.85308485372204 0.77429406758554 0.00172119482245 18.998 > 13 51 F 0.85308485372204 0.27429406758554 0.50172119482245 18.998 > 13 52 F 0.85308485372204 0.77429406758554 0.50172119482245 18.998 > 13 53 F 0.14691514627797 0.02429406758554 0.49827880517755 18.998 > 14 54 F 0.14691514627797 0.52429406758554 0.49827880517755 18.998 > 14 55 F 0.14691514627797 0.02429406758554 0.99827880517755 18.998 > 14 56 F 0.14691514627797 0.52429406758554 0.99827880517755 18.998 > 14 57 F 0.64691514627796 0.22570593241446 0.25172119482245 18.998 > 15 58 F 0.64691514627796 0.72570593241446 0.25172119482245 18.998 > 15 59 F 0.64691514627796 0.22570593241446 0.75172119482245 18.998 > 15 60 F 0.64691514627796 0.72570593241446 0.75172119482245 18.998 > 15 61 F 0.35308485372204 0.47570593241446 0.24827880517755 18.998 > 16 62 F 0.35308485372204 0.97570593241446 0.24827880517755 18.998 > 16 63 F 0.35308485372204 0.47570593241446 0.74827880517755 18.998 > 16 64 F 0.35308485372204 0.97570593241446 0.74827880517755 18.998 > 16 65 F 0.07082130053948 0.22777596115029 0.34386551429175 18.998 > 17 66 F 0.07082130053948 0.72777596115029 0.34386551429175 18.998 > 17 67 F 0.07082130053948 0.22777596115029 0.84386551429175 18.998 > 17 68 F 0.07082130053948 0.72777596115029 0.84386551429175 18.998 > 17 69 F 0.92917869946052 0.47777596115029 0.15613448570825 18.998 > 18 70 F 0.92917869946052 0.97777596115029 0.15613448570825 18.998 > 18 71 F 0.92917869946052 0.47777596115029 0.65613448570825 18.998 > 18 72 F 0.92917869946052 0.97777596115029 0.65613448570825 18.998 > 18 73 F 0.42917869946052 0.27222403884971 0.09386551429175 18.998 > 19 74 F 0.42917869946052 0.77222403884971 0.09386551429175 18.998 > 19 75 F 0.42917869946052 0.27222403884971 0.59386551429175 18.998 > 19 76 F 0.42917869946052 0.77222403884971 0.59386551429175 18.998 > 19 77 F 0.57082130053948 0.02222403884971 0.40613448570825 18.998 > 20 78 F 0.57082130053948 0.52222403884971 0.40613448570825 18.998 > 20 79 F 0.57082130053948 0.02222403884971 0.90613448570825 18.998 > 20 80 F 0.57082130053948 0.52222403884971 0.90613448570825 18.998 > 20 *81 S 0.59436956531486 0.12500000000000 0.32570647308011 32.065 > 21 82 S 0.59436956531486 0.62500000000000 0.32570647308011 32.065 > 21 83 S 0.59436956531486 0.12500000000000 0.82570647308011 32.065 > 21 84 S 0.59436956531486 0.62500000000000 0.82570647308011 32.065 > 21 85 S 0.40563043468514 0.37500000000000 0.17429352691989 32.065 > 22 86 S 0.40563043468514 0.87500000000000 0.17429352691989 32.065 > 22 87 S 0.40563043468514 0.37500000000000 0.67429352691989 32.065 > 22 88 S 0.40563043468514 0.87500000000000 0.67429352691989 32.065 > 22 89 S 0.90563043468514 0.37500000000000 0.07570647308011 32.065 > 23 90 S 0.90563043468514 0.87500000000000 0.07570647308011 32.065 > 23 91 S 0.90563043468514 0.37500000000000 0.57570647308011 32.065 > 23 92 S 0.90563043468514 0.87500000000000 0.57570647308011 32.065 > 23 93 S 0.09436956531486 0.12500000000000 0.42429352691989 32.065 > 24 94 S 0.09436956531486 0.62500000000000 0.42429352691989 32.065 > 24 95 S 0.09436956531486 0.12500000000000 0.92429352691989 32.065 > 24 96 S 0.09436956531486 0.62500000000000 0.92429352691989 32.065 > 24 *97 Rb 0.65739293485340 0.12500000000000 0.07552344216813 85.468 > 25 98 Rb 0.65739293485340 0.62500000000000 0.07552344216813 85.468 > 25 99 Rb 0.65739293485340 0.12500000000000 0.57552344216813 85.468 > 25 100 Rb 0.65739293485340 0.62500000000000 0.57552344216813 85.468 > 25 101 Rb 0.34260706514660 0.37500000000000 0.42447655783187 85.468 > 26 102 Rb 0.34260706514660 0.87500000000000 0.42447655783187 85.468 > 26 103 Rb 0.34260706514660 0.37500000000000 0.92447655783187 85.468 > 26 104 Rb 0.34260706514660 0.87500000000000 0.92447655783187 85.468 > 26 105 Rb 0.84260706514660 0.37500000000000 0.32552344216813 85.468 > 27 106 Rb 0.84260706514660 0.87500000000000 0.32552344216813 85.468 > 27 107 Rb 0.84260706514660 0.37500000000000 0.82552344216813 85.468 > 27 108 Rb 0.84260706514660 0.87500000000000 0.82552344216813 85.468 > 27 109 Rb 0.15739293485340 0.12500000000000 0.17447655783187 85.468 > 28 110 Rb 0.15739293485340 0.62500000000000 0.17447655783187 85.468 > 28 111 Rb 0.15739293485340 0.12500000000000 0.67447655783187 85.468 > 28 112 Rb 0.15739293485340 0.62500000000000 0.67447655783187 85.468 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9490745 0.0000000 0.0000000 0.0000000 2.2209376 0.0000000 0.0000000 0.0000000 2.2040368 -------------------------- Born effective charges -------------------------- 1 F -1.0862480 0.0000000 -0.2050329 0.0000000 -0.5215401 0.0000000 -0.3024814 0.0000000 -0.5592486 2 F -1.0862480 0.0000000 -0.2050329 0.0000000 -0.5215401 0.0000000 -0.3024814 0.0000000 -0.5592486 3 F -1.0862480 0.0000000 0.2050329 0.0000000 -0.5215401 0.0000000 0.3024814 0.0000000 -0.5592486 4 F -1.0862480 0.0000000 0.2050329 0.0000000 -0.5215401 0.0000000 0.3024814 0.0000000 -0.5592486 5 F -0.5367610 -0.2522695 0.1981338 -0.1115160 -1.2826690 0.8267033 0.0100255 0.7319846 -1.2848783 6 F -0.5367610 0.2522695 0.1981338 0.1115160 -1.2826690 -0.8267033 0.0100255 -0.7319846 -1.2848783 7 F -0.5367610 -0.2522695 -0.1981338 -0.1115160 -1.2826690 -0.8267033 -0.0100255 -0.7319846 -1.2848783 8 F -0.5367610 0.2522695 -0.1981338 0.1115160 -1.2826690 0.8267033 -0.0100255 0.7319846 -1.2848783 9 F -0.6271602 -0.2819193 -0.1829449 -0.4930880 -1.2680911 -0.6865688 -0.3718530 -0.6961310 -1.1325563 10 F -0.6271602 0.2819193 -0.1829449 0.4930880 -1.2680911 0.6865688 -0.3718530 0.6961310 -1.1325563 11 F -0.6271602 -0.2819193 0.1829449 -0.4930880 -1.2680911 0.6865688 0.3718530 0.6961310 -1.1325563 12 F -0.6271602 0.2819193 0.1829449 0.4930880 -1.2680911 -0.6865688 0.3718530 -0.6961310 -1.1325563 13 F -0.6271602 -0.2819193 -0.1829449 -0.4930880 -1.2680911 -0.6865688 -0.3718530 -0.6961310 -1.1325563 14 F -0.6271602 0.2819193 -0.1829449 0.4930880 -1.2680911 0.6865688 -0.3718530 0.6961310 -1.1325563 15 F -0.6271602 -0.2819193 0.1829449 -0.4930880 -1.2680911 0.6865688 0.3718530 0.6961310 -1.1325563 16 F -0.6271602 0.2819193 0.1829449 0.4930880 -1.2680911 -0.6865688 0.3718530 -0.6961310 -1.1325563 17 F -0.5367610 0.2522695 -0.1981338 0.1115160 -1.2826690 0.8267033 -0.0100255 0.7319846 -1.2848783 18 F -0.5367610 -0.2522695 -0.1981338 -0.1115160 -1.2826690 -0.8267033 -0.0100255 -0.7319846 -1.2848783 19 F -0.5367610 0.2522695 0.1981338 0.1115160 -1.2826690 -0.8267033 0.0100255 -0.7319846 -1.2848783 20 F -0.5367610 -0.2522695 0.1981338 -0.1115160 -1.2826690 0.8267033 0.0100255 0.7319846 -1.2848783 21 S 2.2145634 0.0000000 -0.5832280 0.0000000 4.3728402 0.0000000 -0.4882811 0.0000000 4.0585181 22 S 2.2145634 0.0000000 -0.5832280 0.0000000 4.3728402 0.0000000 -0.4882811 0.0000000 4.0585181 23 S 2.2145634 0.0000000 0.5832280 0.0000000 4.3728402 0.0000000 0.4882811 0.0000000 4.0585181 24 S 2.2145634 0.0000000 0.5832280 0.0000000 4.3728402 0.0000000 0.4882811 0.0000000 4.0585181 25 Rb 1.1995271 0.0000000 -0.0757907 0.0000000 1.2502201 0.0000000 -0.0557629 0.0000000 1.3355997 26 Rb 1.1995271 0.0000000 -0.0757907 0.0000000 1.2502201 0.0000000 -0.0557629 0.0000000 1.3355997 27 Rb 1.1995271 0.0000000 0.0757907 0.0000000 1.2502201 0.0000000 0.0557629 0.0000000 1.3355997 28 Rb 1.1995271 0.0000000 0.0757907 0.0000000 1.2502201 0.0000000 0.0557629 0.0000000 1.3355997 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1887 Number of blocks in projector: 1887 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: 428 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 249 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 249 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 249 Use standard eigh solver. Tree of FC basis block matrices: - (1887, 1854), data: False |-- (249, 244), data: True |-- (249, 244), data: True |-- (249, 244), data: True |-- (356, 352), data: True |-- (356, 352), data: True |-- (428, 418), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.272 Solver_block: 200 / 480 - Time: 3.175 Solver_block: 300 / 480 - Time: 3.163 Solver_block: 400 / 480 - Time: 3.172 Solver_block: 480 / 480 - Time: 2.613 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.612 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1887 Number of blocks in projector: 1887 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: 428 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 249 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 249 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 249 Use standard eigh solver. Tree of FC basis block matrices: - (1887, 1854), data: False |-- (249, 244), data: True |-- (249, 244), data: True |-- (249, 244), data: True |-- (356, 352), data: True |-- (356, 352), data: True |-- (428, 418), 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 07:20:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:20:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.057195739999997 0.000000000000000 0.000000000000000 b 0.000000000000000 6.094575000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.666461050000000 Atomic positions (fractional): 1 F 0.74687364178720 0.25000000000000 0.71779309649077 18.998 2 F 0.25312635821280 0.75000000000000 0.28220690350923 18.998 3 F 0.75312635821280 0.75000000000000 0.21779309649077 18.998 4 F 0.24687364178720 0.25000000000000 0.78220690350923 18.998 5 F 0.42917869946052 0.95555192230058 0.18773102858350 18.998 6 F 0.57082130053948 0.45555192230058 0.81226897141650 18.998 7 F 0.07082130053948 0.04444807769942 0.68773102858350 18.998 8 F 0.92917869946052 0.54444807769942 0.31226897141650 18.998 9 F 0.14691514627797 0.45141186482891 0.99655761035510 18.998 10 F 0.85308485372204 0.95141186482891 0.00344238964491 18.998 11 F 0.35308485372204 0.54858813517109 0.49655761035509 18.998 12 F 0.64691514627796 0.04858813517109 0.50344238964490 18.998 13 F 0.85308485372204 0.54858813517109 0.00344238964491 18.998 14 F 0.14691514627797 0.04858813517109 0.99655761035510 18.998 15 F 0.64691514627796 0.45141186482891 0.50344238964490 18.998 16 F 0.35308485372204 0.95141186482891 0.49655761035509 18.998 17 F 0.07082130053948 0.45555192230058 0.68773102858350 18.998 18 F 0.92917869946052 0.95555192230058 0.31226897141650 18.998 19 F 0.42917869946052 0.54444807769942 0.18773102858350 18.998 20 F 0.57082130053948 0.04444807769942 0.81226897141650 18.998 21 S 0.59436956531486 0.25000000000000 0.65141294616022 32.065 22 S 0.40563043468514 0.75000000000000 0.34858705383978 32.065 23 S 0.90563043468514 0.75000000000000 0.15141294616022 32.065 24 S 0.09436956531486 0.25000000000000 0.84858705383978 32.065 25 Rb 0.65739293485340 0.25000000000000 0.15104688433626 85.468 26 Rb 0.34260706514660 0.75000000000000 0.84895311566374 85.468 27 Rb 0.84260706514660 0.75000000000000 0.65104688433626 85.468 28 Rb 0.15739293485340 0.25000000000000 0.34895311566374 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.057195739999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.189150000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.332922099999999 Atomic positions (fractional): 1 F 0.74687364178720 0.12500000000000 0.35889654824539 18.998 > 1 2 F 0.74687364178720 0.62500000000000 0.35889654824539 18.998 > 1 3 F 0.74687364178720 0.12500000000000 0.85889654824539 18.998 > 1 4 F 0.74687364178720 0.62500000000000 0.85889654824539 18.998 > 1 5 F 0.25312635821280 0.37500000000000 0.14110345175461 18.998 > 5 6 F 0.25312635821280 0.87500000000000 0.14110345175461 18.998 > 5 7 F 0.25312635821280 0.37500000000000 0.64110345175461 18.998 > 5 8 F 0.25312635821280 0.87500000000000 0.64110345175461 18.998 > 5 9 F 0.75312635821280 0.37500000000000 0.10889654824539 18.998 > 9 10 F 0.75312635821280 0.87500000000000 0.10889654824539 18.998 > 9 11 F 0.75312635821280 0.37500000000000 0.60889654824539 18.998 > 9 12 F 0.75312635821280 0.87500000000000 0.60889654824539 18.998 > 9 13 F 0.24687364178720 0.12500000000000 0.39110345175461 18.998 > 13 14 F 0.24687364178720 0.62500000000000 0.39110345175461 18.998 > 13 15 F 0.24687364178720 0.12500000000000 0.89110345175461 18.998 > 13 16 F 0.24687364178720 0.62500000000000 0.89110345175461 18.998 > 13 17 F 0.42917869946052 0.47777596115029 0.09386551429175 18.998 > 17 18 F 0.42917869946052 0.97777596115029 0.09386551429175 18.998 > 17 19 F 0.42917869946052 0.47777596115029 0.59386551429175 18.998 > 17 20 F 0.42917869946052 0.97777596115029 0.59386551429175 18.998 > 17 21 F 0.57082130053948 0.22777596115029 0.40613448570825 18.998 > 21 22 F 0.57082130053948 0.72777596115029 0.40613448570825 18.998 > 21 23 F 0.57082130053948 0.22777596115029 0.90613448570825 18.998 > 21 24 F 0.57082130053948 0.72777596115029 0.90613448570825 18.998 > 21 25 F 0.07082130053948 0.02222403884971 0.34386551429175 18.998 > 25 26 F 0.07082130053948 0.52222403884971 0.34386551429175 18.998 > 25 27 F 0.07082130053948 0.02222403884971 0.84386551429175 18.998 > 25 28 F 0.07082130053948 0.52222403884971 0.84386551429175 18.998 > 25 29 F 0.92917869946052 0.27222403884971 0.15613448570825 18.998 > 29 30 F 0.92917869946052 0.77222403884971 0.15613448570825 18.998 > 29 31 F 0.92917869946052 0.27222403884971 0.65613448570825 18.998 > 29 32 F 0.92917869946052 0.77222403884971 0.65613448570825 18.998 > 29 33 F 0.14691514627797 0.22570593241446 0.49827880517755 18.998 > 33 34 F 0.14691514627797 0.72570593241446 0.49827880517755 18.998 > 33 35 F 0.14691514627797 0.22570593241446 0.99827880517755 18.998 > 33 36 F 0.14691514627797 0.72570593241446 0.99827880517755 18.998 > 33 37 F 0.85308485372204 0.47570593241446 0.00172119482245 18.998 > 37 38 F 0.85308485372204 0.97570593241446 0.00172119482245 18.998 > 37 39 F 0.85308485372204 0.47570593241446 0.50172119482245 18.998 > 37 40 F 0.85308485372204 0.97570593241446 0.50172119482245 18.998 > 37 41 F 0.35308485372204 0.27429406758554 0.24827880517755 18.998 > 41 42 F 0.35308485372204 0.77429406758554 0.24827880517755 18.998 > 41 43 F 0.35308485372204 0.27429406758554 0.74827880517755 18.998 > 41 44 F 0.35308485372204 0.77429406758554 0.74827880517755 18.998 > 41 45 F 0.64691514627796 0.02429406758554 0.25172119482245 18.998 > 45 46 F 0.64691514627796 0.52429406758554 0.25172119482245 18.998 > 45 47 F 0.64691514627796 0.02429406758554 0.75172119482245 18.998 > 45 48 F 0.64691514627796 0.52429406758554 0.75172119482245 18.998 > 45 49 F 0.85308485372204 0.27429406758554 0.00172119482245 18.998 > 49 50 F 0.85308485372204 0.77429406758554 0.00172119482245 18.998 > 49 51 F 0.85308485372204 0.27429406758554 0.50172119482245 18.998 > 49 52 F 0.85308485372204 0.77429406758554 0.50172119482245 18.998 > 49 53 F 0.14691514627797 0.02429406758554 0.49827880517755 18.998 > 53 54 F 0.14691514627797 0.52429406758554 0.49827880517755 18.998 > 53 55 F 0.14691514627797 0.02429406758554 0.99827880517755 18.998 > 53 56 F 0.14691514627797 0.52429406758554 0.99827880517755 18.998 > 53 57 F 0.64691514627796 0.22570593241446 0.25172119482245 18.998 > 57 58 F 0.64691514627796 0.72570593241446 0.25172119482245 18.998 > 57 59 F 0.64691514627796 0.22570593241446 0.75172119482245 18.998 > 57 60 F 0.64691514627796 0.72570593241446 0.75172119482245 18.998 > 57 61 F 0.35308485372204 0.47570593241446 0.24827880517755 18.998 > 61 62 F 0.35308485372204 0.97570593241446 0.24827880517755 18.998 > 61 63 F 0.35308485372204 0.47570593241446 0.74827880517755 18.998 > 61 64 F 0.35308485372204 0.97570593241446 0.74827880517755 18.998 > 61 65 F 0.07082130053948 0.22777596115029 0.34386551429175 18.998 > 65 66 F 0.07082130053948 0.72777596115029 0.34386551429175 18.998 > 65 67 F 0.07082130053948 0.22777596115029 0.84386551429175 18.998 > 65 68 F 0.07082130053948 0.72777596115029 0.84386551429175 18.998 > 65 69 F 0.92917869946052 0.47777596115029 0.15613448570825 18.998 > 69 70 F 0.92917869946052 0.97777596115029 0.15613448570825 18.998 > 69 71 F 0.92917869946052 0.47777596115029 0.65613448570825 18.998 > 69 72 F 0.92917869946052 0.97777596115029 0.65613448570825 18.998 > 69 73 F 0.42917869946052 0.27222403884971 0.09386551429175 18.998 > 73 74 F 0.42917869946052 0.77222403884971 0.09386551429175 18.998 > 73 75 F 0.42917869946052 0.27222403884971 0.59386551429175 18.998 > 73 76 F 0.42917869946052 0.77222403884971 0.59386551429175 18.998 > 73 77 F 0.57082130053948 0.02222403884971 0.40613448570825 18.998 > 77 78 F 0.57082130053948 0.52222403884971 0.40613448570825 18.998 > 77 79 F 0.57082130053948 0.02222403884971 0.90613448570825 18.998 > 77 80 F 0.57082130053948 0.52222403884971 0.90613448570825 18.998 > 77 81 S 0.59436956531486 0.12500000000000 0.32570647308011 32.065 > 81 82 S 0.59436956531486 0.62500000000000 0.32570647308011 32.065 > 81 83 S 0.59436956531486 0.12500000000000 0.82570647308011 32.065 > 81 84 S 0.59436956531486 0.62500000000000 0.82570647308011 32.065 > 81 85 S 0.40563043468514 0.37500000000000 0.17429352691989 32.065 > 85 86 S 0.40563043468514 0.87500000000000 0.17429352691989 32.065 > 85 87 S 0.40563043468514 0.37500000000000 0.67429352691989 32.065 > 85 88 S 0.40563043468514 0.87500000000000 0.67429352691989 32.065 > 85 89 S 0.90563043468514 0.37500000000000 0.07570647308011 32.065 > 89 90 S 0.90563043468514 0.87500000000000 0.07570647308011 32.065 > 89 91 S 0.90563043468514 0.37500000000000 0.57570647308011 32.065 > 89 92 S 0.90563043468514 0.87500000000000 0.57570647308011 32.065 > 89 93 S 0.09436956531486 0.12500000000000 0.42429352691989 32.065 > 93 94 S 0.09436956531486 0.62500000000000 0.42429352691989 32.065 > 93 95 S 0.09436956531486 0.12500000000000 0.92429352691989 32.065 > 93 96 S 0.09436956531486 0.62500000000000 0.92429352691989 32.065 > 93 97 Rb 0.65739293485340 0.12500000000000 0.07552344216813 85.468 > 97 98 Rb 0.65739293485340 0.62500000000000 0.07552344216813 85.468 > 97 99 Rb 0.65739293485340 0.12500000000000 0.57552344216813 85.468 > 97 100 Rb 0.65739293485340 0.62500000000000 0.57552344216813 85.468 > 97 101 Rb 0.34260706514660 0.37500000000000 0.42447655783187 85.468 > 101 102 Rb 0.34260706514660 0.87500000000000 0.42447655783187 85.468 > 101 103 Rb 0.34260706514660 0.37500000000000 0.92447655783187 85.468 > 101 104 Rb 0.34260706514660 0.87500000000000 0.92447655783187 85.468 > 101 105 Rb 0.84260706514660 0.37500000000000 0.32552344216813 85.468 > 105 106 Rb 0.84260706514660 0.87500000000000 0.32552344216813 85.468 > 105 107 Rb 0.84260706514660 0.37500000000000 0.82552344216813 85.468 > 105 108 Rb 0.84260706514660 0.87500000000000 0.82552344216813 85.468 > 105 109 Rb 0.15739293485340 0.12500000000000 0.17447655783187 85.468 > 109 110 Rb 0.15739293485340 0.62500000000000 0.17447655783187 85.468 > 109 111 Rb 0.15739293485340 0.12500000000000 0.67447655783187 85.468 > 109 112 Rb 0.15739293485340 0.62500000000000 0.67447655783187 85.468 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9490745 0.0000000 0.0000000 0.0000000 2.2209376 0.0000000 0.0000000 0.0000000 2.2040368 -------------------------- Born effective charges -------------------------- 1 F -1.0862480 0.0000000 -0.2050329 0.0000000 -0.5215401 0.0000000 -0.3024814 0.0000000 -0.5592486 2 F -1.0862480 0.0000000 -0.2050329 0.0000000 -0.5215401 0.0000000 -0.3024814 0.0000000 -0.5592486 3 F -1.0862480 0.0000000 0.2050329 0.0000000 -0.5215401 0.0000000 0.3024814 0.0000000 -0.5592486 4 F -1.0862480 0.0000000 0.2050329 0.0000000 -0.5215401 0.0000000 0.3024814 0.0000000 -0.5592486 5 F -0.5367610 -0.2522695 0.1981338 -0.1115160 -1.2826690 0.8267033 0.0100255 0.7319846 -1.2848783 6 F -0.5367610 0.2522695 0.1981338 0.1115160 -1.2826690 -0.8267033 0.0100255 -0.7319846 -1.2848783 7 F -0.5367610 -0.2522695 -0.1981338 -0.1115160 -1.2826690 -0.8267033 -0.0100255 -0.7319846 -1.2848783 8 F -0.5367610 0.2522695 -0.1981338 0.1115160 -1.2826690 0.8267033 -0.0100255 0.7319846 -1.2848783 9 F -0.6271602 -0.2819193 -0.1829449 -0.4930880 -1.2680911 -0.6865688 -0.3718530 -0.6961310 -1.1325563 10 F -0.6271602 0.2819193 -0.1829449 0.4930880 -1.2680911 0.6865688 -0.3718530 0.6961310 -1.1325563 11 F -0.6271602 -0.2819193 0.1829449 -0.4930880 -1.2680911 0.6865688 0.3718530 0.6961310 -1.1325563 12 F -0.6271602 0.2819193 0.1829449 0.4930880 -1.2680911 -0.6865688 0.3718530 -0.6961310 -1.1325563 13 F -0.6271602 -0.2819193 -0.1829449 -0.4930880 -1.2680911 -0.6865688 -0.3718530 -0.6961310 -1.1325563 14 F -0.6271602 0.2819193 -0.1829449 0.4930880 -1.2680911 0.6865688 -0.3718530 0.6961310 -1.1325563 15 F -0.6271602 -0.2819193 0.1829449 -0.4930880 -1.2680911 0.6865688 0.3718530 0.6961310 -1.1325563 16 F -0.6271602 0.2819193 0.1829449 0.4930880 -1.2680911 -0.6865688 0.3718530 -0.6961310 -1.1325563 17 F -0.5367610 0.2522695 -0.1981338 0.1115160 -1.2826690 0.8267033 -0.0100255 0.7319846 -1.2848783 18 F -0.5367610 -0.2522695 -0.1981338 -0.1115160 -1.2826690 -0.8267033 -0.0100255 -0.7319846 -1.2848783 19 F -0.5367610 0.2522695 0.1981338 0.1115160 -1.2826690 -0.8267033 0.0100255 -0.7319846 -1.2848783 20 F -0.5367610 -0.2522695 0.1981338 -0.1115160 -1.2826690 0.8267033 0.0100255 0.7319846 -1.2848783 21 S 2.2145634 0.0000000 -0.5832280 0.0000000 4.3728402 0.0000000 -0.4882811 0.0000000 4.0585181 22 S 2.2145634 0.0000000 -0.5832280 0.0000000 4.3728402 0.0000000 -0.4882811 0.0000000 4.0585181 23 S 2.2145634 0.0000000 0.5832280 0.0000000 4.3728402 0.0000000 0.4882811 0.0000000 4.0585181 24 S 2.2145634 0.0000000 0.5832280 0.0000000 4.3728402 0.0000000 0.4882811 0.0000000 4.0585181 25 Rb 1.1995271 0.0000000 -0.0757907 0.0000000 1.2502201 0.0000000 -0.0557629 0.0000000 1.3355997 26 Rb 1.1995271 0.0000000 -0.0757907 0.0000000 1.2502201 0.0000000 -0.0557629 0.0000000 1.3355997 27 Rb 1.1995271 0.0000000 0.0757907 0.0000000 1.2502201 0.0000000 0.0557629 0.0000000 1.3355997 28 Rb 1.1995271 0.0000000 0.0757907 0.0000000 1.2502201 0.0000000 0.0557629 0.0000000 1.3355997 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) 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 07:20:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:20:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.057195739999997 0.000000000000000 0.000000000000000 b 0.000000000000000 6.094575000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.666461050000000 Atomic positions (fractional): 1 F 0.74687364178720 0.25000000000000 0.71779309649077 18.998 2 F 0.25312635821280 0.75000000000000 0.28220690350923 18.998 3 F 0.75312635821280 0.75000000000000 0.21779309649077 18.998 4 F 0.24687364178720 0.25000000000000 0.78220690350923 18.998 5 F 0.42917869946052 0.95555192230058 0.18773102858350 18.998 6 F 0.57082130053948 0.45555192230058 0.81226897141650 18.998 7 F 0.07082130053948 0.04444807769942 0.68773102858350 18.998 8 F 0.92917869946052 0.54444807769942 0.31226897141650 18.998 9 F 0.14691514627797 0.45141186482891 0.99655761035510 18.998 10 F 0.85308485372204 0.95141186482891 0.00344238964491 18.998 11 F 0.35308485372204 0.54858813517109 0.49655761035509 18.998 12 F 0.64691514627796 0.04858813517109 0.50344238964490 18.998 13 F 0.85308485372204 0.54858813517109 0.00344238964491 18.998 14 F 0.14691514627797 0.04858813517109 0.99655761035510 18.998 15 F 0.64691514627796 0.45141186482891 0.50344238964490 18.998 16 F 0.35308485372204 0.95141186482891 0.49655761035509 18.998 17 F 0.07082130053948 0.45555192230058 0.68773102858350 18.998 18 F 0.92917869946052 0.95555192230058 0.31226897141650 18.998 19 F 0.42917869946052 0.54444807769942 0.18773102858350 18.998 20 F 0.57082130053948 0.04444807769942 0.81226897141650 18.998 21 S 0.59436956531486 0.25000000000000 0.65141294616022 32.065 22 S 0.40563043468514 0.75000000000000 0.34858705383978 32.065 23 S 0.90563043468514 0.75000000000000 0.15141294616022 32.065 24 S 0.09436956531486 0.25000000000000 0.84858705383978 32.065 25 Rb 0.65739293485340 0.25000000000000 0.15104688433626 85.468 26 Rb 0.34260706514660 0.75000000000000 0.84895311566374 85.468 27 Rb 0.84260706514660 0.75000000000000 0.65104688433626 85.468 28 Rb 0.15739293485340 0.25000000000000 0.34895311566374 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.057195739999997 0.000000000000000 0.000000000000000 b 0.000000000000000 12.189150000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.332922099999999 Atomic positions (fractional): 1 F 0.74687364178720 0.12500000000000 0.35889654824539 18.998 > 1 2 F 0.74687364178720 0.62500000000000 0.35889654824539 18.998 > 1 3 F 0.74687364178720 0.12500000000000 0.85889654824539 18.998 > 1 4 F 0.74687364178720 0.62500000000000 0.85889654824539 18.998 > 1 5 F 0.25312635821280 0.37500000000000 0.14110345175461 18.998 > 5 6 F 0.25312635821280 0.87500000000000 0.14110345175461 18.998 > 5 7 F 0.25312635821280 0.37500000000000 0.64110345175461 18.998 > 5 8 F 0.25312635821280 0.87500000000000 0.64110345175461 18.998 > 5 9 F 0.75312635821280 0.37500000000000 0.10889654824539 18.998 > 9 10 F 0.75312635821280 0.87500000000000 0.10889654824539 18.998 > 9 11 F 0.75312635821280 0.37500000000000 0.60889654824539 18.998 > 9 12 F 0.75312635821280 0.87500000000000 0.60889654824539 18.998 > 9 13 F 0.24687364178720 0.12500000000000 0.39110345175461 18.998 > 13 14 F 0.24687364178720 0.62500000000000 0.39110345175461 18.998 > 13 15 F 0.24687364178720 0.12500000000000 0.89110345175461 18.998 > 13 16 F 0.24687364178720 0.62500000000000 0.89110345175461 18.998 > 13 17 F 0.42917869946052 0.47777596115029 0.09386551429175 18.998 > 17 18 F 0.42917869946052 0.97777596115029 0.09386551429175 18.998 > 17 19 F 0.42917869946052 0.47777596115029 0.59386551429175 18.998 > 17 20 F 0.42917869946052 0.97777596115029 0.59386551429175 18.998 > 17 21 F 0.57082130053948 0.22777596115029 0.40613448570825 18.998 > 21 22 F 0.57082130053948 0.72777596115029 0.40613448570825 18.998 > 21 23 F 0.57082130053948 0.22777596115029 0.90613448570825 18.998 > 21 24 F 0.57082130053948 0.72777596115029 0.90613448570825 18.998 > 21 25 F 0.07082130053948 0.02222403884971 0.34386551429175 18.998 > 25 26 F 0.07082130053948 0.52222403884971 0.34386551429175 18.998 > 25 27 F 0.07082130053948 0.02222403884971 0.84386551429175 18.998 > 25 28 F 0.07082130053948 0.52222403884971 0.84386551429175 18.998 > 25 29 F 0.92917869946052 0.27222403884971 0.15613448570825 18.998 > 29 30 F 0.92917869946052 0.77222403884971 0.15613448570825 18.998 > 29 31 F 0.92917869946052 0.27222403884971 0.65613448570825 18.998 > 29 32 F 0.92917869946052 0.77222403884971 0.65613448570825 18.998 > 29 33 F 0.14691514627797 0.22570593241446 0.49827880517755 18.998 > 33 34 F 0.14691514627797 0.72570593241446 0.49827880517755 18.998 > 33 35 F 0.14691514627797 0.22570593241446 0.99827880517755 18.998 > 33 36 F 0.14691514627797 0.72570593241446 0.99827880517755 18.998 > 33 37 F 0.85308485372204 0.47570593241446 0.00172119482245 18.998 > 37 38 F 0.85308485372204 0.97570593241446 0.00172119482245 18.998 > 37 39 F 0.85308485372204 0.47570593241446 0.50172119482245 18.998 > 37 40 F 0.85308485372204 0.97570593241446 0.50172119482245 18.998 > 37 41 F 0.35308485372204 0.27429406758554 0.24827880517755 18.998 > 41 42 F 0.35308485372204 0.77429406758554 0.24827880517755 18.998 > 41 43 F 0.35308485372204 0.27429406758554 0.74827880517755 18.998 > 41 44 F 0.35308485372204 0.77429406758554 0.74827880517755 18.998 > 41 45 F 0.64691514627796 0.02429406758554 0.25172119482245 18.998 > 45 46 F 0.64691514627796 0.52429406758554 0.25172119482245 18.998 > 45 47 F 0.64691514627796 0.02429406758554 0.75172119482245 18.998 > 45 48 F 0.64691514627796 0.52429406758554 0.75172119482245 18.998 > 45 49 F 0.85308485372204 0.27429406758554 0.00172119482245 18.998 > 49 50 F 0.85308485372204 0.77429406758554 0.00172119482245 18.998 > 49 51 F 0.85308485372204 0.27429406758554 0.50172119482245 18.998 > 49 52 F 0.85308485372204 0.77429406758554 0.50172119482245 18.998 > 49 53 F 0.14691514627797 0.02429406758554 0.49827880517755 18.998 > 53 54 F 0.14691514627797 0.52429406758554 0.49827880517755 18.998 > 53 55 F 0.14691514627797 0.02429406758554 0.99827880517755 18.998 > 53 56 F 0.14691514627797 0.52429406758554 0.99827880517755 18.998 > 53 57 F 0.64691514627796 0.22570593241446 0.25172119482245 18.998 > 57 58 F 0.64691514627796 0.72570593241446 0.25172119482245 18.998 > 57 59 F 0.64691514627796 0.22570593241446 0.75172119482245 18.998 > 57 60 F 0.64691514627796 0.72570593241446 0.75172119482245 18.998 > 57 61 F 0.35308485372204 0.47570593241446 0.24827880517755 18.998 > 61 62 F 0.35308485372204 0.97570593241446 0.24827880517755 18.998 > 61 63 F 0.35308485372204 0.47570593241446 0.74827880517755 18.998 > 61 64 F 0.35308485372204 0.97570593241446 0.74827880517755 18.998 > 61 65 F 0.07082130053948 0.22777596115029 0.34386551429175 18.998 > 65 66 F 0.07082130053948 0.72777596115029 0.34386551429175 18.998 > 65 67 F 0.07082130053948 0.22777596115029 0.84386551429175 18.998 > 65 68 F 0.07082130053948 0.72777596115029 0.84386551429175 18.998 > 65 69 F 0.92917869946052 0.47777596115029 0.15613448570825 18.998 > 69 70 F 0.92917869946052 0.97777596115029 0.15613448570825 18.998 > 69 71 F 0.92917869946052 0.47777596115029 0.65613448570825 18.998 > 69 72 F 0.92917869946052 0.97777596115029 0.65613448570825 18.998 > 69 73 F 0.42917869946052 0.27222403884971 0.09386551429175 18.998 > 73 74 F 0.42917869946052 0.77222403884971 0.09386551429175 18.998 > 73 75 F 0.42917869946052 0.27222403884971 0.59386551429175 18.998 > 73 76 F 0.42917869946052 0.77222403884971 0.59386551429175 18.998 > 73 77 F 0.57082130053948 0.02222403884971 0.40613448570825 18.998 > 77 78 F 0.57082130053948 0.52222403884971 0.40613448570825 18.998 > 77 79 F 0.57082130053948 0.02222403884971 0.90613448570825 18.998 > 77 80 F 0.57082130053948 0.52222403884971 0.90613448570825 18.998 > 77 81 S 0.59436956531486 0.12500000000000 0.32570647308011 32.065 > 81 82 S 0.59436956531486 0.62500000000000 0.32570647308011 32.065 > 81 83 S 0.59436956531486 0.12500000000000 0.82570647308011 32.065 > 81 84 S 0.59436956531486 0.62500000000000 0.82570647308011 32.065 > 81 85 S 0.40563043468514 0.37500000000000 0.17429352691989 32.065 > 85 86 S 0.40563043468514 0.87500000000000 0.17429352691989 32.065 > 85 87 S 0.40563043468514 0.37500000000000 0.67429352691989 32.065 > 85 88 S 0.40563043468514 0.87500000000000 0.67429352691989 32.065 > 85 89 S 0.90563043468514 0.37500000000000 0.07570647308011 32.065 > 89 90 S 0.90563043468514 0.87500000000000 0.07570647308011 32.065 > 89 91 S 0.90563043468514 0.37500000000000 0.57570647308011 32.065 > 89 92 S 0.90563043468514 0.87500000000000 0.57570647308011 32.065 > 89 93 S 0.09436956531486 0.12500000000000 0.42429352691989 32.065 > 93 94 S 0.09436956531486 0.62500000000000 0.42429352691989 32.065 > 93 95 S 0.09436956531486 0.12500000000000 0.92429352691989 32.065 > 93 96 S 0.09436956531486 0.62500000000000 0.92429352691989 32.065 > 93 97 Rb 0.65739293485340 0.12500000000000 0.07552344216813 85.468 > 97 98 Rb 0.65739293485340 0.62500000000000 0.07552344216813 85.468 > 97 99 Rb 0.65739293485340 0.12500000000000 0.57552344216813 85.468 > 97 100 Rb 0.65739293485340 0.62500000000000 0.57552344216813 85.468 > 97 101 Rb 0.34260706514660 0.37500000000000 0.42447655783187 85.468 > 101 102 Rb 0.34260706514660 0.87500000000000 0.42447655783187 85.468 > 101 103 Rb 0.34260706514660 0.37500000000000 0.92447655783187 85.468 > 101 104 Rb 0.34260706514660 0.87500000000000 0.92447655783187 85.468 > 101 105 Rb 0.84260706514660 0.37500000000000 0.32552344216813 85.468 > 105 106 Rb 0.84260706514660 0.87500000000000 0.32552344216813 85.468 > 105 107 Rb 0.84260706514660 0.37500000000000 0.82552344216813 85.468 > 105 108 Rb 0.84260706514660 0.87500000000000 0.82552344216813 85.468 > 105 109 Rb 0.15739293485340 0.12500000000000 0.17447655783187 85.468 > 109 110 Rb 0.15739293485340 0.62500000000000 0.17447655783187 85.468 > 109 111 Rb 0.15739293485340 0.12500000000000 0.67447655783187 85.468 > 109 112 Rb 0.15739293485340 0.62500000000000 0.67447655783187 85.468 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9490745 0.0000000 0.0000000 0.0000000 2.2209376 0.0000000 0.0000000 0.0000000 2.2040368 -------------------------- Born effective charges -------------------------- 1 F -1.0862480 0.0000000 -0.2050329 0.0000000 -0.5215401 0.0000000 -0.3024814 0.0000000 -0.5592486 2 F -1.0862480 0.0000000 -0.2050329 0.0000000 -0.5215401 0.0000000 -0.3024814 0.0000000 -0.5592486 3 F -1.0862480 0.0000000 0.2050329 0.0000000 -0.5215401 0.0000000 0.3024814 0.0000000 -0.5592486 4 F -1.0862480 0.0000000 0.2050329 0.0000000 -0.5215401 0.0000000 0.3024814 0.0000000 -0.5592486 5 F -0.5367610 -0.2522695 0.1981338 -0.1115160 -1.2826690 0.8267033 0.0100255 0.7319846 -1.2848783 6 F -0.5367610 0.2522695 0.1981338 0.1115160 -1.2826690 -0.8267033 0.0100255 -0.7319846 -1.2848783 7 F -0.5367610 -0.2522695 -0.1981338 -0.1115160 -1.2826690 -0.8267033 -0.0100255 -0.7319846 -1.2848783 8 F -0.5367610 0.2522695 -0.1981338 0.1115160 -1.2826690 0.8267033 -0.0100255 0.7319846 -1.2848783 9 F -0.6271602 -0.2819193 -0.1829449 -0.4930880 -1.2680911 -0.6865688 -0.3718530 -0.6961310 -1.1325563 10 F -0.6271602 0.2819193 -0.1829449 0.4930880 -1.2680911 0.6865688 -0.3718530 0.6961310 -1.1325563 11 F -0.6271602 -0.2819193 0.1829449 -0.4930880 -1.2680911 0.6865688 0.3718530 0.6961310 -1.1325563 12 F -0.6271602 0.2819193 0.1829449 0.4930880 -1.2680911 -0.6865688 0.3718530 -0.6961310 -1.1325563 13 F -0.6271602 -0.2819193 -0.1829449 -0.4930880 -1.2680911 -0.6865688 -0.3718530 -0.6961310 -1.1325563 14 F -0.6271602 0.2819193 -0.1829449 0.4930880 -1.2680911 0.6865688 -0.3718530 0.6961310 -1.1325563 15 F -0.6271602 -0.2819193 0.1829449 -0.4930880 -1.2680911 0.6865688 0.3718530 0.6961310 -1.1325563 16 F -0.6271602 0.2819193 0.1829449 0.4930880 -1.2680911 -0.6865688 0.3718530 -0.6961310 -1.1325563 17 F -0.5367610 0.2522695 -0.1981338 0.1115160 -1.2826690 0.8267033 -0.0100255 0.7319846 -1.2848783 18 F -0.5367610 -0.2522695 -0.1981338 -0.1115160 -1.2826690 -0.8267033 -0.0100255 -0.7319846 -1.2848783 19 F -0.5367610 0.2522695 0.1981338 0.1115160 -1.2826690 -0.8267033 0.0100255 -0.7319846 -1.2848783 20 F -0.5367610 -0.2522695 0.1981338 -0.1115160 -1.2826690 0.8267033 0.0100255 0.7319846 -1.2848783 21 S 2.2145634 0.0000000 -0.5832280 0.0000000 4.3728402 0.0000000 -0.4882811 0.0000000 4.0585181 22 S 2.2145634 0.0000000 -0.5832280 0.0000000 4.3728402 0.0000000 -0.4882811 0.0000000 4.0585181 23 S 2.2145634 0.0000000 0.5832280 0.0000000 4.3728402 0.0000000 0.4882811 0.0000000 4.0585181 24 S 2.2145634 0.0000000 0.5832280 0.0000000 4.3728402 0.0000000 0.4882811 0.0000000 4.0585181 25 Rb 1.1995271 0.0000000 -0.0757907 0.0000000 1.2502201 0.0000000 -0.0557629 0.0000000 1.3355997 26 Rb 1.1995271 0.0000000 -0.0757907 0.0000000 1.2502201 0.0000000 -0.0557629 0.0000000 1.3355997 27 Rb 1.1995271 0.0000000 0.0757907 0.0000000 1.2502201 0.0000000 0.0557629 0.0000000 1.3355997 28 Rb 1.1995271 0.0000000 0.0757907 0.0000000 1.2502201 0.0000000 0.0557629 0.0000000 1.3355997 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) 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 8 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 309, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 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 0.924 ( 0.000 0.000 0.000) 0.000 0.986 ( 0.000 0.000 0.000) 0.000 1.083 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.295 ( 0.000 0.000 0.000) 0.000 1.326 ( 0.000 0.000 0.000) 0.000 1.330 ( 0.000 0.000 0.000) 0.000 1.360 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.548 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.593 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.864 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.626 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 9.417 ( 0.000 0.000 0.000) 0.000 9.427 ( 0.000 0.000 0.000) 0.000 11.829 ( 0.000 0.000 0.000) 0.000 11.959 ( 0.000 0.000 0.000) 0.000 12.028 ( 0.000 0.000 0.000) 0.000 12.169 ( 0.000 0.000 0.000) 0.000 12.351 ( 0.000 0.000 0.000) 0.000 12.366 ( 0.000 0.000 0.000) 0.000 12.497 ( 0.000 0.000 0.000) 0.000 12.705 ( 0.000 0.000 0.000) 0.000 12.753 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 13.073 ( 0.000 0.000 0.000) 0.000 13.099 ( 0.000 0.000 0.000) 0.000 13.119 ( 0.000 0.000 0.000) 0.000 13.137 ( 0.000 0.000 0.000) 0.000 13.145 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 0.000) 0.000 14.598 ( 0.000 0.000 0.000) 0.000 14.636 ( 0.000 0.000 0.000) 0.000 14.793 ( 0.000 0.000 0.000) 0.000 15.619 ( 0.000 0.000 0.000) 0.000 16.200 ( 0.000 0.000 0.000) 0.000 16.571 ( 0.000 0.000 0.000) 0.000 16.669 ( 0.000 0.000 0.000) 0.000 16.957 ( 0.000 0.000 0.000) 0.000 17.610 ( 0.000 0.000 0.000) 0.000 17.687 ( 0.000 0.000 0.000) 0.000 18.180 ( 0.000 0.000 0.000) 0.000 22.063 ( 0.000 0.000 0.000) 0.000 22.145 ( 0.000 0.000 0.000) 0.000 22.616 ( 0.000 0.000 0.000) 0.000 22.847 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.189 ( 10.010 0.000 0.000) 10.010 0.364 ( 18.034 0.000 0.000) 18.034 0.483 ( 23.638 0.000 0.000) 23.638 0.853 ( -9.630 0.000 0.000) 9.630 1.014 ( 2.691 0.000 0.000) 2.691 1.132 ( 2.645 0.000 0.000) 2.645 1.197 ( -1.049 0.000 0.000) 1.049 1.236 ( -6.837 0.000 0.000) 6.837 1.320 ( 2.514 0.000 0.000) 2.514 1.346 ( 1.069 0.000 0.000) 1.069 1.358 ( -8.967 0.000 0.000) 8.967 1.445 ( 0.896 0.000 0.000) 0.896 1.538 ( 3.524 0.000 0.000) 3.524 1.754 ( -1.652 0.000 0.000) 1.652 1.761 ( -2.971 0.000 0.000) 2.971 1.853 ( -8.593 0.000 0.000) 8.593 1.898 ( 6.829 0.000 0.000) 6.829 2.014 ( -2.274 0.000 0.000) 2.274 2.028 ( -5.694 0.000 0.000) 5.694 2.250 ( 5.747 0.000 0.000) 5.747 2.294 ( -3.603 0.000 0.000) 3.603 2.400 ( 4.713 0.000 0.000) 4.713 2.409 ( 7.419 0.000 0.000) 7.419 2.463 ( -0.363 0.000 0.000) 0.363 2.674 ( -2.328 0.000 0.000) 2.328 2.702 ( 3.823 0.000 0.000) 3.823 2.770 ( -4.586 0.000 0.000) 4.586 2.861 ( 0.753 0.000 0.000) 0.753 2.921 ( -0.090 0.000 0.000) 0.090 2.940 ( -1.065 0.000 0.000) 1.065 2.947 ( 0.881 0.000 0.000) 0.881 3.106 ( -5.748 0.000 0.000) 5.748 3.174 ( 0.013 0.000 0.000) 0.013 3.192 ( -0.321 0.000 0.000) 0.321 3.386 ( 3.930 0.000 0.000) 3.930 3.505 ( -0.248 0.000 0.000) 0.248 6.361 ( 1.063 0.000 0.000) 1.063 6.508 ( -3.628 0.000 0.000) 3.628 6.667 ( 4.020 0.000 0.000) 4.020 6.828 ( 0.552 0.000 0.000) 0.552 6.849 ( -1.470 0.000 0.000) 1.470 6.881 ( -0.682 0.000 0.000) 0.682 7.028 ( 0.295 0.000 0.000) 0.295 7.052 ( -0.249 0.000 0.000) 0.249 7.583 ( 0.182 0.000 0.000) 0.182 7.613 ( -0.814 0.000 0.000) 0.814 7.659 ( 1.088 0.000 0.000) 1.088 7.712 ( -0.437 0.000 0.000) 0.437 9.314 ( 0.096 0.000 0.000) 0.096 9.319 ( -0.020 0.000 0.000) 0.020 9.418 ( 0.103 0.000 0.000) 0.103 9.433 ( -0.245 0.000 0.000) 0.245 11.837 ( 0.791 0.000 0.000) 0.791 11.934 ( -1.967 0.000 0.000) 1.967 12.054 ( 2.014 0.000 0.000) 2.014 12.159 ( -0.935 0.000 0.000) 0.935 12.366 ( 1.482 0.000 0.000) 1.482 12.483 ( -1.317 0.000 0.000) 1.317 12.713 ( 0.710 0.000 0.000) 0.710 12.755 ( 0.176 0.000 0.000) 0.176 12.763 ( 0.004 0.000 0.000) 0.004 12.769 ( -0.691 0.000 0.000) 0.691 13.075 ( 0.139 0.000 0.000) 0.139 13.096 ( -0.584 0.000 0.000) 0.584 13.127 ( 0.551 0.000 0.000) 0.551 13.138 ( 0.068 0.000 0.000) 0.068 13.148 ( 0.251 0.000 0.000) 0.251 13.172 ( -0.295 0.000 0.000) 0.295 14.581 ( 0.300 0.000 0.000) 0.300 14.598 ( -0.084 0.000 0.000) 0.084 14.654 ( 1.755 0.000 0.000) 1.755 14.827 ( -2.298 0.000 0.000) 2.298 15.656 ( 3.711 0.000 0.000) 3.711 16.106 ( -8.129 0.000 0.000) 8.129 16.606 ( 3.275 0.000 0.000) 3.275 16.696 ( 2.190 0.000 0.000) 2.190 17.065 ( 9.485 0.000 0.000) 9.485 17.635 ( -5.137 0.000 0.000) 5.137 17.878 ( -1.035 0.000 0.000) 1.035 18.120 ( -5.637 0.000 0.000) 5.637 22.193 ( 4.629 0.000 0.000) 4.629 22.570 ( -4.308 0.000 0.000) 4.308 22.859 ( 0.983 0.000 0.000) 0.983 22.900 ( -0.187 0.000 0.000) 0.187 ======================= Grid point 2 (3/60) ======================= 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 11.343 0.000 0.000) 11.343 0.632 ( -11.431 0.000 0.000) 11.431 0.712 ( 16.816 0.000 0.000) 16.816 0.931 ( 19.789 0.000 0.000) 19.789 1.024 ( -14.156 0.000 0.000) 14.156 1.088 ( 4.624 0.000 0.000) 4.624 1.166 ( -2.934 0.000 0.000) 2.934 1.178 ( 2.390 0.000 0.000) 2.390 1.194 ( -6.190 0.000 0.000) 6.190 1.295 ( -8.079 0.000 0.000) 8.079 1.389 ( 4.068 0.000 0.000) 4.068 1.456 ( -1.666 0.000 0.000) 1.666 1.600 ( 2.343 0.000 0.000) 2.343 1.665 ( -6.380 0.000 0.000) 6.380 1.695 ( -1.275 0.000 0.000) 1.275 1.713 ( -2.120 0.000 0.000) 2.120 1.976 ( -1.067 0.000 0.000) 1.067 1.976 ( -1.061 0.000 0.000) 1.061 2.058 ( 7.862 0.000 0.000) 7.862 2.197 ( -6.015 0.000 0.000) 6.015 2.362 ( 4.970 0.000 0.000) 4.970 2.437 ( -2.481 0.000 0.000) 2.481 2.515 ( 6.350 0.000 0.000) 6.350 2.525 ( 4.541 0.000 0.000) 4.541 2.613 ( -3.395 0.000 0.000) 3.395 2.657 ( -6.425 0.000 0.000) 6.425 2.804 ( 5.883 0.000 0.000) 5.883 2.883 ( 1.358 0.000 0.000) 1.358 2.902 ( -2.766 0.000 0.000) 2.766 2.913 ( -1.567 0.000 0.000) 1.567 2.963 ( 0.809 0.000 0.000) 0.809 2.999 ( -3.903 0.000 0.000) 3.903 3.176 ( 0.257 0.000 0.000) 0.257 3.183 ( -0.443 0.000 0.000) 0.443 3.454 ( 2.707 0.000 0.000) 2.707 3.492 ( -1.188 0.000 0.000) 1.188 6.392 ( 2.071 0.000 0.000) 2.071 6.442 ( -2.957 0.000 0.000) 2.957 6.743 ( 3.599 0.000 0.000) 3.599 6.807 ( -2.723 0.000 0.000) 2.723 6.843 ( 0.958 0.000 0.000) 0.958 6.864 ( -1.038 0.000 0.000) 1.038 7.036 ( 0.464 0.000 0.000) 0.464 7.045 ( -0.436 0.000 0.000) 0.436 7.589 ( 0.386 0.000 0.000) 0.386 7.599 ( -0.617 0.000 0.000) 0.617 7.681 ( 1.051 0.000 0.000) 1.051 7.699 ( -0.808 0.000 0.000) 0.808 9.316 ( 0.117 0.000 0.000) 0.117 9.318 ( -0.069 0.000 0.000) 0.069 9.421 ( 0.236 0.000 0.000) 0.236 9.427 ( -0.325 0.000 0.000) 0.325 11.859 ( 1.473 0.000 0.000) 1.473 11.894 ( -1.941 0.000 0.000) 1.941 12.096 ( 2.064 0.000 0.000) 2.064 12.133 ( -1.656 0.000 0.000) 1.656 12.405 ( 2.210 0.000 0.000) 2.210 12.448 ( -2.080 0.000 0.000) 2.080 12.730 ( 1.004 0.000 0.000) 1.004 12.751 ( -1.022 0.000 0.000) 1.022 12.759 ( 0.193 0.000 0.000) 0.193 12.762 ( -0.082 0.000 0.000) 0.082 13.079 ( 0.285 0.000 0.000) 0.285 13.086 ( -0.448 0.000 0.000) 0.448 13.136 ( 0.296 0.000 0.000) 0.296 13.139 ( -0.024 0.000 0.000) 0.024 13.155 ( 0.432 0.000 0.000) 0.432 13.164 ( -0.459 0.000 0.000) 0.459 14.588 ( 0.388 0.000 0.000) 0.388 14.595 ( -0.248 0.000 0.000) 0.248 14.702 ( 3.029 0.000 0.000) 3.029 14.768 ( -3.357 0.000 0.000) 3.357 15.764 ( 6.983 0.000 0.000) 6.983 15.926 ( -9.092 0.000 0.000) 9.092 16.682 ( 3.670 0.000 0.000) 3.670 16.724 ( -0.131 0.000 0.000) 0.131 17.281 ( 11.320 0.000 0.000) 11.320 17.490 ( -9.255 0.000 0.000) 9.255 17.885 ( 2.578 0.000 0.000) 2.578 17.985 ( -6.864 0.000 0.000) 6.864 22.314 ( 7.081 0.000 0.000) 7.081 22.457 ( -6.806 0.000 0.000) 6.806 22.879 ( 0.917 0.000 0.000) 0.917 22.893 ( -0.513 0.000 0.000) 0.513 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.12 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 0.000 14.831 0.000) 14.831 0.350 ( 0.000 17.109 0.000) 17.109 0.486 ( 0.000 22.697 0.000) 22.697 0.867 ( 0.000 -3.701 0.000) 3.701 1.026 ( 0.000 1.721 0.000) 1.721 1.106 ( 0.000 2.816 0.000) 2.816 1.177 ( 0.000 -2.806 0.000) 2.806 1.234 ( 0.000 -8.771 0.000) 8.771 1.393 ( 0.000 4.816 0.000) 4.816 1.399 ( 0.000 3.361 0.000) 3.361 1.429 ( 0.000 10.902 0.000) 10.902 1.522 ( 0.000 2.393 0.000) 2.393 1.537 ( 0.000 1.148 0.000) 1.148 1.624 ( 0.000 -7.662 0.000) 7.662 1.714 ( 0.000 -8.540 0.000) 8.540 1.744 ( 0.000 -2.473 0.000) 2.473 2.023 ( 0.000 -1.752 0.000) 1.752 2.051 ( 0.000 5.911 0.000) 5.911 2.156 ( 0.000 -1.706 0.000) 1.706 2.277 ( 0.000 6.347 0.000) 6.347 2.299 ( 0.000 4.028 0.000) 4.028 2.313 ( 0.000 -2.515 0.000) 2.515 2.446 ( 0.000 -1.880 0.000) 1.880 2.520 ( 0.000 -3.422 0.000) 3.422 2.528 ( 0.000 0.739 0.000) 0.739 2.683 ( 0.000 1.580 0.000) 1.580 2.690 ( 0.000 -1.161 0.000) 1.161 2.809 ( 0.000 -0.995 0.000) 0.995 2.889 ( 0.000 -3.716 0.000) 3.716 2.929 ( 0.000 -0.663 0.000) 0.663 2.966 ( 0.000 1.088 0.000) 1.088 3.200 ( 0.000 1.690 0.000) 1.690 3.202 ( 0.000 2.505 0.000) 2.505 3.208 ( 0.000 1.084 0.000) 1.084 3.252 ( 0.000 -1.823 0.000) 1.823 3.436 ( 0.000 -6.232 0.000) 6.232 6.587 ( 0.000 0.819 0.000) 0.819 6.606 ( 0.000 1.101 0.000) 1.101 6.700 ( 0.000 -0.322 0.000) 0.322 6.823 ( 0.000 0.087 0.000) 0.087 6.863 ( 0.000 -0.159 0.000) 0.159 6.865 ( 0.000 -2.193 0.000) 2.193 6.955 ( 0.000 -2.386 0.000) 2.386 7.012 ( 0.000 -3.923 0.000) 3.923 7.589 ( 0.000 0.705 0.000) 0.705 7.632 ( 0.000 0.438 0.000) 0.438 7.649 ( 0.000 0.471 0.000) 0.471 7.710 ( 0.000 -0.600 0.000) 0.600 9.309 ( 0.000 -0.312 0.000) 0.312 9.317 ( 0.000 -0.156 0.000) 0.156 9.404 ( 0.000 -1.181 0.000) 1.181 9.412 ( 0.000 -1.306 0.000) 1.306 11.876 ( 0.000 4.413 0.000) 4.413 11.983 ( 0.000 2.161 0.000) 2.161 12.085 ( 0.000 0.966 0.000) 0.966 12.192 ( 0.000 2.214 0.000) 2.214 12.359 ( 0.000 0.748 0.000) 0.748 12.361 ( 0.000 -0.380 0.000) 0.380 12.481 ( 0.000 -1.422 0.000) 1.422 12.601 ( 0.000 -5.226 0.000) 5.226 12.893 ( 0.000 7.419 0.000) 7.419 13.058 ( 0.000 -1.444 0.000) 1.444 13.082 ( 0.000 -1.258 0.000) 1.258 13.109 ( 0.000 -0.903 0.000) 0.903 13.131 ( 0.000 -0.567 0.000) 0.567 13.164 ( 0.000 1.405 0.000) 1.405 13.181 ( 0.000 0.561 0.000) 0.561 13.319 ( 0.000 -0.561 0.000) 0.561 14.567 ( 0.000 -0.786 0.000) 0.786 14.614 ( 0.000 1.430 0.000) 1.430 14.626 ( 0.000 -0.834 0.000) 0.834 14.773 ( 0.000 -1.714 0.000) 1.714 16.346 ( 0.000 13.334 0.000) 13.334 16.545 ( 0.000 -2.180 0.000) 2.180 16.635 ( 0.000 -3.036 0.000) 3.036 17.037 ( 0.000 7.040 0.000) 7.040 17.505 ( 0.000 -9.224 0.000) 9.224 17.861 ( 0.000 15.561 0.000) 15.561 18.030 ( 0.000 -14.080 0.000) 14.080 20.181 ( 0.000 -5.176 0.000) 5.176 22.064 ( 0.000 0.064 0.000) 0.064 22.139 ( 0.000 -0.575 0.000) 0.575 22.600 ( 0.000 -1.378 0.000) 1.378 22.825 ( 0.000 -2.072 0.000) 2.072 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.12 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 2.780 11.178 0.000) 11.519 0.408 ( 7.055 8.181 0.000) 10.803 0.694 ( 13.979 12.278 0.000) 18.606 0.852 ( -0.801 2.610 0.000) 2.730 1.053 ( 2.473 1.087 0.000) 2.702 1.107 ( 1.314 1.967 0.000) 2.365 1.123 ( -5.166 -7.110 0.000) 8.789 1.213 ( -3.130 -5.237 0.000) 6.101 1.295 ( -5.265 3.545 0.000) 6.348 1.437 ( 0.995 8.922 0.000) 8.978 1.449 ( -1.939 3.313 0.000) 3.838 1.483 ( 2.874 3.847 0.000) 4.802 1.566 ( 3.469 2.814 0.000) 4.467 1.677 ( -2.324 -5.755 0.000) 6.207 1.737 ( -1.169 -2.689 0.000) 2.932 1.781 ( 8.861 -7.459 0.000) 11.582 1.963 ( -8.118 5.981 0.000) 10.084 2.004 ( -1.586 -0.550 0.000) 1.678 2.086 ( -7.604 4.579 0.000) 8.876 2.248 ( 6.629 -0.041 0.000) 6.629 2.327 ( -4.654 -0.190 0.000) 4.658 2.366 ( 1.709 -4.227 0.000) 4.559 2.447 ( 5.560 2.405 0.000) 6.058 2.500 ( 0.143 2.805 0.000) 2.809 2.665 ( -2.273 -0.749 0.000) 2.393 2.691 ( 7.722 -10.506 0.000) 13.039 2.705 ( 1.741 -0.182 0.000) 1.751 2.761 ( -4.467 -0.880 0.000) 4.553 2.879 ( 0.060 -2.640 0.000) 2.640 2.923 ( -1.156 -0.119 0.000) 1.162 2.988 ( 1.290 1.552 0.000) 2.018 3.061 ( -5.861 2.216 0.000) 6.266 3.202 ( -0.251 2.022 0.000) 2.037 3.204 ( -0.363 0.976 0.000) 1.041 3.360 ( 4.364 -1.899 0.000) 4.759 3.438 ( 0.105 -5.724 0.000) 5.725 6.531 ( -2.729 2.024 0.000) 3.397 6.588 ( -7.111 7.514 0.000) 10.346 6.672 ( 3.812 0.431 0.000) 3.836 6.821 ( 0.150 -0.492 0.000) 0.514 6.849 ( -1.407 -0.106 0.000) 1.411 6.859 ( -0.579 -2.091 0.000) 2.169 6.975 ( 1.091 -3.624 0.000) 3.784 7.009 ( -0.233 -3.884 0.000) 3.891 7.591 ( 0.195 0.715 0.000) 0.741 7.621 ( -0.752 0.617 0.000) 0.973 7.662 ( 0.933 0.252 0.000) 0.967 7.707 ( -0.359 -0.527 0.000) 0.638 9.310 ( 0.045 -0.350 0.000) 0.353 9.314 ( -0.201 -0.237 0.000) 0.311 9.405 ( 0.112 -1.172 0.000) 1.177 9.415 ( 0.078 -1.417 0.000) 1.419 11.883 ( 0.691 4.231 0.000) 4.287 11.973 ( -1.289 2.373 0.000) 2.700 12.084 ( 0.618 1.796 0.000) 1.899 12.181 ( -1.102 2.004 0.000) 2.287 12.372 ( 1.356 0.478 0.000) 1.438 12.413 ( 4.056 -4.202 0.000) 5.841 12.470 ( -1.012 -1.204 0.000) 1.573 12.589 ( -1.241 -5.598 0.000) 5.734 12.912 ( 1.852 7.516 0.000) 7.741 13.063 ( 0.509 -0.929 0.000) 1.059 13.064 ( -1.473 -1.126 0.000) 1.854 13.119 ( 0.622 -0.781 0.000) 0.999 13.132 ( 0.058 -0.562 0.000) 0.565 13.165 ( 0.011 1.344 0.000) 1.344 13.180 ( -0.140 0.706 0.000) 0.719 13.244 ( -6.033 5.757 0.000) 8.339 14.565 ( -0.241 -1.161 0.000) 1.186 14.584 ( -2.086 1.001 0.000) 2.314 14.642 ( 1.580 -0.881 0.000) 1.810 14.766 ( -0.925 -2.058 0.000) 2.256 16.298 ( -2.933 15.552 0.000) 15.826 16.603 ( 4.687 1.165 0.000) 4.830 16.642 ( -0.489 -2.464 0.000) 2.512 17.143 ( 9.655 6.992 0.000) 11.921 17.294 ( -26.276 24.779 0.000) 36.117 17.796 ( -6.485 14.719 0.000) 16.084 17.976 ( -5.019 -13.517 0.000) 14.418 18.357 ( -71.925 60.889 0.000) 94.237 22.180 ( 4.597 -1.186 0.000) 4.748 22.554 ( -4.298 -1.360 0.000) 4.508 22.630 ( 17.278 -17.102 0.000) 24.310 22.832 ( 0.460 -2.537 0.000) 2.578 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.12 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 6.252 3.449 0.000) 7.141 0.523 ( -0.091 -3.081 0.000) 3.083 0.783 ( 4.569 1.772 0.000) 4.900 0.962 ( -10.299 -5.424 0.000) 11.640 1.033 ( 11.008 9.021 0.000) 14.232 1.100 ( 2.181 -3.384 0.000) 4.025 1.148 ( -2.773 -3.682 0.000) 4.609 1.185 ( -5.931 4.065 0.000) 7.190 1.212 ( 10.166 7.850 0.000) 12.844 1.410 ( -5.393 6.936 0.000) 8.786 1.468 ( 1.928 5.908 0.000) 6.214 1.501 ( -1.131 3.296 0.000) 3.485 1.630 ( 2.882 2.974 0.000) 4.141 1.656 ( 1.064 -2.453 0.000) 2.674 1.697 ( -2.419 -2.035 0.000) 3.161 1.731 ( -9.002 5.581 0.000) 10.591 1.970 ( 3.922 -3.857 0.000) 5.501 1.979 ( -0.549 0.492 0.000) 0.737 2.028 ( 3.512 0.674 0.000) 3.576 2.184 ( -8.304 -2.070 0.000) 8.559 2.380 ( 6.057 1.429 0.000) 6.224 2.441 ( 2.329 -2.655 0.000) 3.531 2.497 ( 0.034 0.000 0.000) 0.034 2.513 ( 1.102 -2.551 0.000) 2.779 2.617 ( -1.513 0.452 0.000) 1.580 2.650 ( -4.825 -0.086 0.000) 4.826 2.750 ( 1.905 -3.898 0.000) 4.339 2.777 ( 0.383 -9.237 0.000) 9.245 2.889 ( 0.396 -0.903 0.000) 0.986 2.890 ( -0.578 0.539 0.000) 0.790 3.004 ( 0.409 2.391 0.000) 2.426 3.010 ( -0.474 2.005 0.000) 2.060 3.196 ( -0.248 1.762 0.000) 1.779 3.196 ( -0.323 1.060 0.000) 1.108 3.416 ( 1.678 -2.749 0.000) 3.221 3.436 ( -0.414 -4.369 0.000) 4.389 6.491 ( -1.111 3.988 0.000) 4.140 6.497 ( -2.056 6.964 0.000) 7.261 6.746 ( 3.504 0.156 0.000) 3.508 6.808 ( -2.634 -0.004 0.000) 2.634 6.829 ( 0.611 -1.207 0.000) 1.353 6.844 ( -0.808 -1.764 0.000) 1.940 6.992 ( 0.642 -3.732 0.000) 3.786 7.003 ( -0.450 -3.795 0.000) 3.822 7.597 ( 0.400 0.733 0.000) 0.835 7.607 ( -0.608 0.722 0.000) 0.944 7.680 ( 0.890 -0.045 0.000) 0.892 7.696 ( -0.673 -0.326 0.000) 0.748 9.311 ( 0.043 -0.429 0.000) 0.431 9.312 ( -0.061 -0.430 0.000) 0.434 9.409 ( 0.224 -1.173 0.000) 1.194 9.413 ( -0.207 -1.263 0.000) 1.280 11.903 ( 1.408 3.809 0.000) 4.061 11.937 ( -1.939 3.270 0.000) 3.802 12.113 ( 1.900 1.489 0.000) 2.414 12.151 ( -1.814 1.603 0.000) 2.421 12.406 ( 1.921 0.060 0.000) 1.922 12.443 ( -1.675 -0.609 0.000) 1.782 12.492 ( 3.607 -6.771 0.000) 7.672 12.552 ( -2.449 -6.464 0.000) 6.913 12.962 ( 3.023 6.683 0.000) 7.335 13.023 ( -2.758 2.030 0.000) 3.425 13.080 ( 1.376 1.225 0.000) 1.842 13.122 ( -1.665 2.122 0.000) 2.697 13.133 ( 0.021 -0.456 0.000) 0.457 13.137 ( -1.786 3.513 0.000) 3.941 13.172 ( -0.017 1.854 0.000) 1.854 13.176 ( -0.242 1.052 0.000) 1.079 14.557 ( -0.467 -1.030 0.000) 1.131 14.558 ( -0.335 -1.712 0.000) 1.744 14.684 ( 2.457 -1.219 0.000) 2.743 14.733 ( -2.269 -1.814 0.000) 2.905 16.294 ( 3.772 25.580 0.000) 25.857 16.488 ( -14.911 27.947 0.000) 31.676 16.706 ( 5.274 6.482 0.000) 8.357 16.820 ( -9.129 26.866 0.000) 28.375 17.375 ( 12.682 8.570 0.000) 15.306 17.616 ( -11.024 11.820 0.000) 16.163 17.830 ( -4.200 -2.918 0.000) 5.114 17.862 ( -5.258 -11.497 0.000) 12.642 22.300 ( 7.016 -1.237 0.000) 7.124 22.441 ( -6.768 -1.314 0.000) 6.894 22.800 ( 3.562 -8.000 0.000) 8.757 22.834 ( -0.481 -4.128 0.000) 4.156 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.25 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 13.271 0.000) 13.271 0.696 ( 0.000 15.997 0.000) 15.997 0.820 ( 0.000 -0.077 0.000) 0.077 0.871 ( 0.000 11.106 0.000) 11.106 1.014 ( 0.000 -10.770 0.000) 10.770 1.085 ( 0.000 6.760 0.000) 6.760 1.107 ( 0.000 -3.877 0.000) 3.877 1.223 ( 0.000 8.827 0.000) 8.827 1.403 ( 0.000 -10.785 0.000) 10.785 1.488 ( 0.000 2.635 0.000) 2.635 1.499 ( 0.000 4.800 0.000) 4.800 1.572 ( 0.000 1.683 0.000) 1.683 1.585 ( 0.000 -3.544 0.000) 3.544 1.606 ( 0.000 4.640 0.000) 4.640 1.650 ( 0.000 2.970 0.000) 2.970 1.701 ( 0.000 5.118 0.000) 5.118 1.984 ( 0.000 -1.432 0.000) 1.432 2.116 ( 0.000 -2.073 0.000) 2.073 2.146 ( 0.000 3.242 0.000) 3.242 2.221 ( 0.000 -6.089 0.000) 6.089 2.373 ( 0.000 2.510 0.000) 2.510 2.382 ( 0.000 -4.403 0.000) 4.403 2.388 ( 0.000 3.504 0.000) 3.504 2.435 ( 0.000 -4.841 0.000) 4.841 2.571 ( 0.000 3.106 0.000) 3.106 2.655 ( 0.000 -1.617 0.000) 1.617 2.700 ( 0.000 -0.542 0.000) 0.542 2.789 ( 0.000 -0.838 0.000) 0.838 2.832 ( 0.000 -0.566 0.000) 0.566 2.913 ( 0.000 -0.820 0.000) 0.820 2.978 ( 0.000 -0.354 0.000) 0.354 3.185 ( 0.000 -4.257 0.000) 4.257 3.230 ( 0.000 0.833 0.000) 0.833 3.253 ( 0.000 2.777 0.000) 2.777 3.262 ( 0.000 2.961 0.000) 2.961 3.297 ( 0.000 -6.032 0.000) 6.032 6.609 ( 0.000 1.277 0.000) 1.277 6.631 ( 0.000 1.233 0.000) 1.233 6.695 ( 0.000 0.032 0.000) 0.032 6.808 ( 0.000 -3.040 0.000) 3.040 6.824 ( 0.000 0.042 0.000) 0.042 6.854 ( 0.000 -0.877 0.000) 0.877 6.891 ( 0.000 -3.333 0.000) 3.333 6.911 ( 0.000 -5.433 0.000) 5.433 7.606 ( 0.000 0.861 0.000) 0.861 7.645 ( 0.000 0.700 0.000) 0.700 7.660 ( 0.000 0.576 0.000) 0.576 7.693 ( 0.000 -1.046 0.000) 1.046 9.303 ( 0.000 -0.221 0.000) 0.221 9.314 ( 0.000 -0.150 0.000) 0.150 9.373 ( 0.000 -1.671 0.000) 1.671 9.379 ( 0.000 -1.796 0.000) 1.796 11.999 ( 0.000 7.245 0.000) 7.245 12.040 ( 0.000 3.076 0.000) 3.076 12.109 ( 0.000 1.173 0.000) 1.173 12.254 ( 0.000 3.571 0.000) 3.571 12.357 ( 0.000 0.224 0.000) 0.224 12.380 ( 0.000 1.263 0.000) 1.263 12.448 ( 0.000 -1.653 0.000) 1.653 12.510 ( 0.000 -3.716 0.000) 3.716 13.019 ( 0.000 -2.148 0.000) 2.148 13.021 ( 0.000 4.255 0.000) 4.255 13.056 ( 0.000 -1.163 0.000) 1.163 13.084 ( 0.000 -1.520 0.000) 1.520 13.119 ( 0.000 -0.183 0.000) 0.183 13.193 ( 0.000 0.479 0.000) 0.479 13.194 ( 0.000 1.427 0.000) 1.427 13.302 ( 0.000 -1.069 0.000) 1.069 14.555 ( 0.000 -0.223 0.000) 0.223 14.607 ( 0.000 -0.874 0.000) 0.874 14.651 ( 0.000 1.965 0.000) 1.965 14.735 ( 0.000 -1.627 0.000) 1.627 16.504 ( 0.000 -1.055 0.000) 1.055 16.567 ( 0.000 -2.782 0.000) 2.782 16.684 ( 0.000 17.897 0.000) 17.897 17.197 ( 0.000 7.312 0.000) 7.312 17.252 ( 0.000 -14.723 0.000) 14.723 17.641 ( 0.000 -22.612 0.000) 22.612 18.284 ( 0.000 24.381 0.000) 24.381 20.018 ( 0.000 -10.879 0.000) 10.879 22.066 ( 0.000 0.213 0.000) 0.213 22.123 ( 0.000 -0.919 0.000) 0.919 22.571 ( 0.000 -1.076 0.000) 1.076 22.766 ( 0.000 -3.637 0.000) 3.637 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.25 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -1.475 12.262 0.000) 12.351 0.645 ( -3.786 12.783 0.000) 13.332 0.791 ( 0.520 1.520 0.000) 1.607 0.955 ( -3.824 -7.523 0.000) 8.439 1.007 ( 6.212 4.216 0.000) 7.508 1.113 ( 2.966 8.390 0.000) 8.899 1.121 ( -1.017 -3.915 0.000) 4.044 1.251 ( 4.562 11.518 0.000) 12.389 1.365 ( -3.425 -0.036 0.000) 3.426 1.427 ( -0.603 -4.077 0.000) 4.121 1.567 ( -0.542 1.617 0.000) 1.705 1.571 ( -0.563 -2.384 0.000) 2.450 1.590 ( 4.432 4.211 0.000) 6.113 1.643 ( -0.803 -1.035 0.000) 1.310 1.689 ( 6.513 0.589 0.000) 6.540 1.717 ( 1.631 7.679 0.000) 7.850 1.986 ( -0.019 -0.922 0.000) 0.922 2.047 ( -3.810 1.495 0.000) 4.093 2.193 ( -8.485 4.928 0.000) 9.813 2.223 ( -1.081 -8.830 0.000) 8.896 2.254 ( 4.496 0.773 0.000) 4.562 2.294 ( -4.355 -2.634 0.000) 5.090 2.459 ( 0.929 -1.487 0.000) 1.753 2.495 ( 2.444 -5.958 0.000) 6.440 2.585 ( 1.509 2.460 0.000) 2.886 2.656 ( 0.234 -0.438 0.000) 0.497 2.687 ( -1.013 -0.672 0.000) 1.216 2.747 ( -2.936 -0.234 0.000) 2.946 2.855 ( 1.436 -0.176 0.000) 1.447 2.911 ( -0.391 -0.850 0.000) 0.936 3.001 ( 1.731 -0.667 0.000) 1.855 3.108 ( -4.497 0.479 0.000) 4.523 3.219 ( -0.470 0.301 0.000) 0.558 3.250 ( -0.283 2.486 0.000) 2.502 3.322 ( 1.905 -4.319 0.000) 4.721 3.323 ( 3.160 -1.024 0.000) 3.322 6.580 ( -1.159 2.493 0.000) 2.749 6.666 ( -2.665 1.782 0.000) 3.206 6.681 ( 3.232 0.390 0.000) 3.256 6.805 ( -0.242 -2.821 0.000) 2.832 6.812 ( -0.819 -0.281 0.000) 0.865 6.842 ( -1.271 -0.701 0.000) 1.451 6.898 ( 0.431 -3.775 0.000) 3.800 6.911 ( -0.045 -5.289 0.000) 5.289 7.608 ( 0.215 0.873 0.000) 0.899 7.636 ( -0.601 0.839 0.000) 1.032 7.668 ( 0.546 0.273 0.000) 0.611 7.691 ( -0.165 -0.934 0.000) 0.949 9.303 ( 0.005 -0.223 0.000) 0.223 9.310 ( -0.281 -0.108 0.000) 0.301 9.375 ( 0.121 -1.667 0.000) 1.672 9.380 ( 0.086 -1.822 0.000) 1.824 11.996 ( -0.163 6.509 0.000) 6.511 12.028 ( -0.987 2.943 0.000) 3.104 12.118 ( 0.907 1.383 0.000) 1.653 12.234 ( -1.880 2.884 0.000) 3.443 12.370 ( 1.152 -0.149 0.000) 1.162 12.396 ( 1.575 0.981 0.000) 1.855 12.437 ( -0.824 -1.885 0.000) 2.057 12.506 ( -0.632 -2.591 0.000) 2.667 12.995 ( -0.617 -0.180 0.000) 0.642 13.037 ( -1.404 -1.261 0.000) 1.887 13.068 ( 2.583 1.283 0.000) 2.884 13.096 ( 0.717 -1.453 0.000) 1.620 13.125 ( 0.728 0.703 0.000) 1.012 13.193 ( -0.056 1.405 0.000) 1.406 13.196 ( 0.225 0.696 0.000) 0.732 13.284 ( -1.711 0.011 0.000) 1.711 14.550 ( -0.385 -0.095 0.000) 0.396 14.621 ( -2.544 2.216 0.000) 3.373 14.624 ( 1.485 -0.892 0.000) 1.733 14.728 ( -0.880 -1.617 0.000) 1.841 16.475 ( -0.768 1.548 0.000) 1.728 16.575 ( 0.320 -2.906 0.000) 2.924 16.832 ( 12.877 19.640 0.000) 23.485 17.243 ( -0.500 -12.784 0.000) 12.794 17.310 ( 10.758 8.062 0.000) 13.444 17.601 ( -3.409 -21.769 0.000) 22.035 18.182 ( -9.877 22.063 0.000) 24.173 19.209 ( -61.558 18.827 0.000) 64.373 22.153 ( 4.834 -1.173 0.000) 4.974 22.365 ( 17.240 -8.856 0.000) 19.381 22.527 ( -4.200 -0.960 0.000) 4.308 22.760 ( -0.774 -4.322 0.000) 4.391 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.25 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -0.139 9.066 0.000) 9.067 0.582 ( -2.194 7.937 0.000) 8.235 0.828 ( 2.780 2.779 0.000) 3.931 0.887 ( -3.051 -0.934 0.000) 3.190 1.045 ( 0.018 -0.730 0.000) 0.730 1.070 ( -2.745 -3.163 0.000) 4.188 1.190 ( 4.256 6.313 0.000) 7.614 1.280 ( -4.624 4.281 0.000) 6.301 1.424 ( 9.005 10.011 0.000) 13.465 1.462 ( 2.542 -3.439 0.000) 4.276 1.547 ( -1.145 0.356 0.000) 1.199 1.558 ( -0.945 0.968 0.000) 1.353 1.634 ( 0.553 -1.025 0.000) 1.164 1.651 ( 0.920 3.630 0.000) 3.745 1.761 ( 2.919 8.293 0.000) 8.791 1.819 ( 3.229 -0.193 0.000) 3.235 1.940 ( -4.692 5.449 0.000) 7.191 1.974 ( -1.575 -1.035 0.000) 1.884 2.054 ( -2.117 0.900 0.000) 2.300 2.108 ( -7.029 -5.240 0.000) 8.767 2.314 ( 3.898 -6.642 0.000) 7.701 2.364 ( 3.060 -5.657 0.000) 6.431 2.435 ( -1.061 -1.532 0.000) 1.864 2.490 ( -2.841 -3.128 0.000) 4.225 2.628 ( 2.460 1.424 0.000) 2.843 2.668 ( -1.191 1.492 0.000) 1.910 2.673 ( 1.239 -0.794 0.000) 1.472 2.698 ( -1.776 -0.990 0.000) 2.034 2.874 ( 0.591 -0.869 0.000) 1.051 2.891 ( -1.309 -0.557 0.000) 1.423 3.029 ( 0.998 -0.382 0.000) 1.068 3.049 ( -1.447 0.779 0.000) 1.643 3.222 ( 0.724 1.460 0.000) 1.630 3.239 ( -0.783 2.285 0.000) 2.416 3.355 ( 1.190 -2.979 0.000) 3.208 3.362 ( 0.705 -2.241 0.000) 2.349 6.575 ( 0.721 3.749 0.000) 3.818 6.609 ( -2.598 3.883 0.000) 4.672 6.747 ( 3.203 -0.144 0.000) 3.206 6.800 ( -0.783 -1.146 0.000) 1.388 6.801 ( -0.147 -2.198 0.000) 2.203 6.805 ( -1.961 -0.585 0.000) 2.047 6.905 ( 0.281 -4.381 0.000) 4.390 6.909 ( -0.143 -4.905 0.000) 4.907 7.615 ( 0.416 0.900 0.000) 0.991 7.624 ( -0.568 0.908 0.000) 1.071 7.678 ( 0.478 -0.189 0.000) 0.514 7.686 ( -0.330 -0.625 0.000) 0.707 9.303 ( 0.044 -0.202 0.000) 0.207 9.305 ( -0.178 -0.133 0.000) 0.222 9.378 ( 0.173 -1.693 0.000) 1.702 9.381 ( -0.074 -1.776 0.000) 1.777 11.996 ( 0.241 4.914 0.000) 4.920 12.008 ( -0.911 3.503 0.000) 3.619 12.145 ( 1.829 1.355 0.000) 2.277 12.189 ( -2.432 1.720 0.000) 2.979 12.396 ( 1.306 -0.707 0.000) 1.485 12.419 ( -1.000 -1.395 0.000) 1.717 12.437 ( 2.337 0.047 0.000) 2.338 12.481 ( -1.862 -1.136 0.000) 2.181 12.994 ( 0.420 -0.878 0.000) 0.974 13.010 ( -1.171 -1.193 0.000) 1.672 13.101 ( 0.661 -1.208 0.000) 1.377 13.105 ( 0.160 -1.484 0.000) 1.493 13.160 ( 2.593 2.919 0.000) 3.904 13.190 ( -0.395 1.409 0.000) 1.463 13.203 ( 0.633 1.413 0.000) 1.549 13.238 ( -2.661 2.088 0.000) 3.383 14.548 ( 0.378 0.677 0.000) 0.775 14.571 ( -2.029 1.860 0.000) 2.753 14.660 ( 2.059 -1.081 0.000) 2.325 14.700 ( -1.812 -1.400 0.000) 2.290 16.499 ( 2.787 0.807 0.000) 2.902 16.558 ( -2.294 -1.885 0.000) 2.969 17.145 ( 15.227 23.093 0.000) 27.661 17.249 ( 0.814 -5.550 0.000) 5.610 17.550 ( 8.054 -7.667 0.000) 11.120 17.612 ( 13.902 6.243 0.000) 15.240 17.910 ( -17.362 16.355 0.000) 23.852 18.104 ( -43.303 27.192 0.000) 51.133 22.275 ( 7.044 -0.853 0.000) 7.095 22.416 ( -6.693 -0.806 0.000) 6.741 22.616 ( 8.283 -9.003 0.000) 12.233 22.724 ( -3.173 -6.245 0.000) 7.005 ======================= Grid point 15 (10/60) ======================= 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.000 2.108 0.000) 2.108 0.842 ( 0.000 9.777 0.000) 9.777 0.856 ( 0.000 -3.198 0.000) 3.198 0.926 ( 0.000 -1.468 0.000) 1.468 1.014 ( 0.000 -5.689 0.000) 5.689 1.036 ( 0.000 14.846 0.000) 14.846 1.176 ( 0.000 -9.741 0.000) 9.741 1.278 ( 0.000 8.034 0.000) 8.034 1.446 ( 0.000 8.561 0.000) 8.561 1.524 ( 0.000 1.684 0.000) 1.684 1.571 ( 0.000 2.072 0.000) 2.072 1.576 ( 0.000 1.482 0.000) 1.482 1.581 ( 0.000 -4.580 0.000) 4.580 1.592 ( 0.000 2.655 0.000) 2.655 1.680 ( 0.000 1.246 0.000) 1.246 1.869 ( 0.000 3.121 0.000) 3.121 1.999 ( 0.000 3.348 0.000) 3.348 2.085 ( 0.000 -0.163 0.000) 0.163 2.108 ( 0.000 -2.320 0.000) 2.320 2.177 ( 0.000 -0.491 0.000) 0.491 2.270 ( 0.000 -6.206 0.000) 6.206 2.324 ( 0.000 -5.778 0.000) 5.778 2.396 ( 0.000 0.135 0.000) 0.135 2.414 ( 0.000 -0.312 0.000) 0.312 2.634 ( 0.000 2.434 0.000) 2.434 2.641 ( 0.000 0.243 0.000) 0.243 2.695 ( 0.000 0.914 0.000) 0.914 2.770 ( 0.000 -1.248 0.000) 1.248 2.856 ( 0.000 1.930 0.000) 1.930 2.907 ( 0.000 0.720 0.000) 0.720 2.944 ( 0.000 -2.569 0.000) 2.569 3.077 ( 0.000 -5.915 0.000) 5.915 3.224 ( 0.000 -1.085 0.000) 1.085 3.237 ( 0.000 -0.128 0.000) 0.128 3.306 ( 0.000 2.043 0.000) 2.043 3.312 ( 0.000 1.770 0.000) 1.770 6.636 ( 0.000 1.239 0.000) 1.239 6.651 ( 0.000 0.664 0.000) 0.664 6.705 ( 0.000 1.011 0.000) 1.011 6.754 ( 0.000 -1.868 0.000) 1.868 6.803 ( 0.000 -3.487 0.000) 3.487 6.807 ( 0.000 -4.382 0.000) 4.382 6.827 ( 0.000 0.274 0.000) 0.274 6.852 ( 0.000 -0.882 0.000) 0.882 7.624 ( 0.000 0.936 0.000) 0.936 7.659 ( 0.000 0.648 0.000) 0.648 7.669 ( 0.000 0.247 0.000) 0.247 7.669 ( 0.000 -1.207 0.000) 1.207 9.303 ( 0.000 0.271 0.000) 0.271 9.313 ( 0.000 0.146 0.000) 0.146 9.340 ( 0.000 -1.483 0.000) 1.483 9.345 ( 0.000 -1.448 0.000) 1.448 12.096 ( 0.000 2.198 0.000) 2.198 12.127 ( 0.000 0.480 0.000) 0.480 12.158 ( 0.000 7.844 0.000) 7.844 12.320 ( 0.000 2.183 0.000) 2.183 12.374 ( 0.000 1.368 0.000) 1.368 12.403 ( 0.000 0.741 0.000) 0.741 12.414 ( 0.000 -1.662 0.000) 1.662 12.447 ( 0.000 -2.540 0.000) 2.540 12.984 ( 0.000 -0.820 0.000) 0.820 13.036 ( 0.000 -0.707 0.000) 0.707 13.038 ( 0.000 -1.706 0.000) 1.706 13.051 ( 0.000 -1.438 0.000) 1.438 13.149 ( 0.000 2.349 0.000) 2.349 13.198 ( 0.000 -0.109 0.000) 0.109 13.222 ( 0.000 1.335 0.000) 1.335 13.277 ( 0.000 -1.311 0.000) 1.311 14.560 ( 0.000 0.575 0.000) 0.575 14.591 ( 0.000 -0.766 0.000) 0.766 14.686 ( 0.000 1.290 0.000) 1.290 14.712 ( 0.000 -0.683 0.000) 0.683 16.539 ( 0.000 5.307 0.000) 5.307 16.554 ( 0.000 2.257 0.000) 2.257 16.938 ( 0.000 -14.927 0.000) 14.927 17.005 ( 0.000 8.937 0.000) 8.937 17.178 ( 0.000 -17.588 0.000) 17.588 17.296 ( 0.000 1.701 0.000) 1.701 18.812 ( 0.000 26.108 0.000) 26.108 19.731 ( 0.000 -17.075 0.000) 17.075 22.073 ( 0.000 0.466 0.000) 0.466 22.103 ( 0.000 -0.953 0.000) 0.953 22.567 ( 0.000 0.869 0.000) 0.869 22.684 ( 0.000 -4.093 0.000) 4.093 ======================= Grid point 16 (11/60) ======================= 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -3.273 7.120 0.000) 7.836 0.821 ( -0.889 3.331 0.000) 3.447 0.871 ( -2.439 4.876 0.000) 5.452 0.875 ( 2.322 1.383 0.000) 2.702 1.046 ( 0.685 -3.600 0.000) 3.665 1.080 ( 1.828 6.702 0.000) 6.947 1.191 ( 2.695 -10.357 0.000) 10.702 1.291 ( 1.023 7.176 0.000) 7.248 1.458 ( -3.760 3.407 0.000) 5.074 1.471 ( 0.281 0.614 0.000) 0.675 1.557 ( -0.931 0.484 0.000) 1.049 1.564 ( 2.525 6.853 0.000) 7.304 1.601 ( 0.307 -2.872 0.000) 2.889 1.664 ( 4.584 2.474 0.000) 5.209 1.731 ( 4.153 1.027 0.000) 4.278 1.880 ( 1.020 2.464 0.000) 2.667 2.002 ( -0.052 3.281 0.000) 3.281 2.055 ( -2.289 0.736 0.000) 2.404 2.075 ( -2.739 -1.580 0.000) 3.162 2.202 ( 1.117 -3.131 0.000) 3.324 2.224 ( -2.536 -4.318 0.000) 5.007 2.316 ( -6.046 3.847 0.000) 7.166 2.358 ( 1.850 -7.238 0.000) 7.471 2.418 ( -0.731 -1.843 0.000) 1.983 2.646 ( 1.008 2.052 0.000) 2.286 2.655 ( 1.267 0.732 0.000) 1.463 2.695 ( 0.032 1.195 0.000) 1.195 2.747 ( -1.902 -0.149 0.000) 1.907 2.857 ( -0.096 0.546 0.000) 0.554 2.901 ( -0.641 0.459 0.000) 0.788 2.957 ( 1.201 -3.229 0.000) 3.445 3.056 ( -1.831 -4.730 0.000) 5.072 3.225 ( 0.921 0.698 0.000) 1.155 3.272 ( 2.317 -1.280 0.000) 2.648 3.299 ( -0.492 2.086 0.000) 2.143 3.325 ( 0.765 0.579 0.000) 0.960 6.628 ( 0.025 2.132 0.000) 2.132 6.684 ( 2.376 -0.216 0.000) 2.386 6.695 ( -0.980 1.428 0.000) 1.732 6.756 ( 0.248 -1.623 0.000) 1.641 6.794 ( -0.828 -2.756 0.000) 2.878 6.810 ( 0.292 -4.204 0.000) 4.215 6.818 ( -0.851 -0.260 0.000) 0.890 6.844 ( -0.733 -1.230 0.000) 1.432 7.627 ( 0.235 0.940 0.000) 0.969 7.654 ( -0.457 0.780 0.000) 0.904 7.670 ( 0.054 -1.111 0.000) 1.112 7.671 ( 0.103 -0.006 0.000) 0.104 9.303 ( 0.032 0.294 0.000) 0.296 9.311 ( -0.188 0.225 0.000) 0.293 9.341 ( 0.108 -1.495 0.000) 1.499 9.345 ( 0.049 -1.493 0.000) 1.493 12.086 ( -0.737 2.470 0.000) 2.577 12.134 ( -1.992 6.544 0.000) 6.840 12.135 ( 0.705 0.181 0.000) 0.728 12.278 ( -3.615 0.703 0.000) 3.683 12.383 ( 0.777 1.257 0.000) 1.478 12.407 ( 0.095 -0.503 0.000) 0.512 12.415 ( 1.111 0.534 0.000) 1.233 12.468 ( 0.832 -1.652 0.000) 1.850 12.980 ( -0.145 -0.194 0.000) 0.242 13.020 ( -1.135 -0.268 0.000) 1.167 13.050 ( 0.830 -2.204 0.000) 2.356 13.062 ( 0.504 -1.791 0.000) 1.861 13.167 ( 1.670 2.164 0.000) 2.733 13.205 ( 0.665 0.118 0.000) 0.675 13.221 ( -0.093 1.321 0.000) 1.325 13.271 ( -0.548 -1.009 0.000) 1.148 14.560 ( 0.258 0.989 0.000) 1.022 14.605 ( 1.325 -0.936 0.000) 1.622 14.663 ( -2.061 1.702 0.000) 2.673 14.703 ( -0.942 -0.840 0.000) 1.262 16.532 ( -0.203 5.679 0.000) 5.683 16.560 ( 0.348 2.192 0.000) 2.220 16.944 ( 0.801 -14.813 0.000) 14.835 17.130 ( -0.201 -21.393 0.000) 21.393 17.205 ( 15.045 14.176 0.000) 20.672 17.437 ( 13.722 2.962 0.000) 14.038 18.653 ( -15.284 22.708 0.000) 27.373 19.314 ( -36.772 -5.326 0.000) 37.156 22.143 ( 5.551 0.331 0.000) 5.561 22.235 ( 11.308 -4.412 0.000) 12.138 22.527 ( -3.867 1.162 0.000) 4.037 22.664 ( -2.117 -4.752 0.000) 5.202 ======================= Grid point 17 (12/60) ======================= 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -0.747 8.918 0.000) 8.949 0.773 ( -2.399 8.831 0.000) 9.151 0.883 ( 2.263 2.194 0.000) 3.152 0.916 ( 0.359 2.303 0.000) 2.331 1.035 ( 0.360 0.174 0.000) 0.400 1.075 ( -2.096 3.598 0.000) 4.164 1.282 ( 4.877 -8.585 0.000) 9.873 1.314 ( 1.066 4.079 0.000) 4.216 1.398 ( -1.939 3.868 0.000) 4.327 1.423 ( -3.612 -4.681 0.000) 5.913 1.556 ( 0.848 -0.776 0.000) 1.150 1.583 ( -1.537 -1.249 0.000) 1.980 1.684 ( 6.178 6.087 0.000) 8.673 1.733 ( 1.409 2.886 0.000) 3.212 1.821 ( 4.561 -0.146 0.000) 4.563 1.890 ( -1.254 -0.966 0.000) 1.583 1.988 ( -0.259 3.423 0.000) 3.433 2.011 ( -1.899 1.328 0.000) 2.317 2.042 ( 0.718 4.373 0.000) 4.432 2.133 ( -7.216 5.524 0.000) 9.088 2.208 ( 1.017 -4.487 0.000) 4.601 2.240 ( -1.584 -3.967 0.000) 4.272 2.386 ( 1.003 -6.425 0.000) 6.503 2.400 ( -0.690 -2.892 0.000) 2.973 2.670 ( 1.350 1.344 0.000) 1.905 2.683 ( 1.327 1.401 0.000) 1.929 2.693 ( -0.550 0.852 0.000) 1.014 2.709 ( -1.661 1.394 0.000) 2.168 2.857 ( 0.488 -0.097 0.000) 0.497 2.879 ( -1.434 0.172 0.000) 1.444 2.985 ( 1.560 -3.663 0.000) 3.982 3.018 ( -1.812 -3.640 0.000) 4.066 3.255 ( 1.701 1.636 0.000) 2.360 3.284 ( -1.107 1.938 0.000) 2.232 3.313 ( 1.635 -1.402 0.000) 2.154 3.332 ( -0.204 -0.817 0.000) 0.842 6.641 ( 1.167 2.735 0.000) 2.973 6.669 ( -1.524 2.343 0.000) 2.795 6.735 ( 2.469 -1.274 0.000) 2.779 6.766 ( 0.821 -0.865 0.000) 1.192 6.772 ( -1.349 -2.059 0.000) 2.461 6.793 ( -1.661 -0.346 0.000) 1.697 6.817 ( 0.491 -3.630 0.000) 3.663 6.829 ( -0.690 -2.513 0.000) 2.606 7.633 ( 0.434 0.939 0.000) 1.034 7.643 ( -0.534 0.900 0.000) 1.046 7.671 ( 0.065 -0.837 0.000) 0.840 7.672 ( -0.005 -0.436 0.000) 0.436 9.304 ( 0.092 0.337 0.000) 0.349 9.307 ( -0.179 0.328 0.000) 0.374 9.344 ( 0.124 -1.525 0.000) 1.530 9.346 ( -0.035 -1.538 0.000) 1.539 12.078 ( 0.132 3.192 0.000) 3.195 12.095 ( -1.606 4.532 0.000) 4.808 12.157 ( 1.663 -0.313 0.000) 1.692 12.205 ( -3.215 -0.348 0.000) 3.234 12.400 ( 0.776 1.028 0.000) 1.288 12.409 ( -0.107 0.634 0.000) 0.643 12.442 ( 1.489 -0.044 0.000) 1.490 12.467 ( -0.811 -0.816 0.000) 1.151 12.983 ( 0.477 0.344 0.000) 0.588 12.998 ( -0.966 0.255 0.000) 0.999 13.062 ( 0.430 -2.361 0.000) 2.400 13.067 ( 0.008 -2.174 0.000) 2.174 13.202 ( 1.354 1.365 0.000) 1.923 13.217 ( -0.376 1.233 0.000) 1.289 13.224 ( 1.373 0.476 0.000) 1.453 13.253 ( -1.284 -0.198 0.000) 1.299 14.576 ( 1.397 1.781 0.000) 2.264 14.615 ( -2.435 2.135 0.000) 3.238 14.638 ( 1.886 -1.114 0.000) 2.190 14.675 ( -1.720 -1.059 0.000) 2.020 16.540 ( 0.919 4.754 0.000) 4.842 16.558 ( -0.608 2.930 0.000) 2.992 16.981 ( 3.100 -15.565 0.000) 15.870 17.060 ( -4.408 -18.131 0.000) 18.659 17.695 ( 30.846 13.795 0.000) 33.790 17.816 ( 24.171 7.636 0.000) 25.349 18.250 ( -23.962 15.392 0.000) 28.479 18.490 ( -41.785 8.658 0.000) 42.672 22.278 ( 7.487 1.341 0.000) 7.606 22.421 ( -6.567 1.561 0.000) 6.750 22.450 ( 9.249 -6.969 0.000) 11.581 22.593 ( -5.207 -6.175 0.000) 8.077 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 -0.50 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 -2.872 0.000) 2.872 0.877 ( 0.000 2.872 0.000) 2.872 0.883 ( 0.000 -5.425 0.000) 5.425 0.883 ( 0.000 5.425 0.000) 5.425 1.014 ( 0.000 -7.165 0.000) 7.165 1.014 ( 0.000 7.165 0.000) 7.165 1.295 ( 0.000 -8.810 0.000) 8.810 1.295 ( 0.000 8.810 0.000) 8.810 1.485 ( 0.000 -3.945 0.000) 3.945 1.485 ( 0.000 3.945 0.000) 3.945 1.576 ( 0.000 -1.915 0.000) 1.915 1.576 ( 0.000 1.915 0.000) 1.915 1.647 ( 0.000 -2.931 0.000) 2.931 1.647 ( 0.000 2.931 0.000) 2.931 1.761 ( 0.000 -10.255 0.000) 10.255 1.761 ( 0.000 10.255 0.000) 10.255 2.102 ( 0.000 -5.046 0.000) 5.046 2.102 ( 0.000 5.046 0.000) 5.046 2.128 ( 0.000 -3.505 0.000) 3.505 2.128 ( 0.000 3.505 0.000) 3.505 2.209 ( 0.000 -4.389 0.000) 4.389 2.209 ( 0.000 4.389 0.000) 4.389 2.401 ( 0.000 -0.593 0.000) 0.593 2.401 ( 0.000 0.593 0.000) 0.593 2.653 ( 0.000 -0.407 0.000) 0.407 2.653 ( 0.000 0.407 0.000) 0.407 2.732 ( 0.000 -2.259 0.000) 2.259 2.732 ( 0.000 2.259 0.000) 2.259 2.896 ( 0.000 -2.003 0.000) 2.003 2.896 ( 0.000 2.003 0.000) 2.003 2.962 ( 0.000 -4.689 0.000) 4.689 2.962 ( 0.000 4.689 0.000) 4.689 3.227 ( 0.000 -0.715 0.000) 0.715 3.227 ( 0.000 0.715 0.000) 0.715 3.329 ( 0.000 -0.175 0.000) 0.175 3.329 ( 0.000 0.175 0.000) 0.175 6.655 ( 0.000 -0.446 0.000) 0.446 6.655 ( 0.000 0.446 0.000) 0.446 6.740 ( 0.000 -2.430 0.000) 2.430 6.740 ( 0.000 2.430 0.000) 2.430 6.745 ( 0.000 -1.310 0.000) 1.310 6.745 ( 0.000 1.310 0.000) 1.310 6.837 ( 0.000 -0.648 0.000) 0.648 6.837 ( 0.000 0.648 0.000) 0.648 7.645 ( 0.000 -1.106 0.000) 1.106 7.645 ( 0.000 1.106 0.000) 1.106 7.669 ( 0.000 -0.270 0.000) 0.270 7.669 ( 0.000 0.270 0.000) 0.270 9.315 ( 0.000 -0.923 0.000) 0.923 9.315 ( 0.000 0.923 0.000) 0.923 9.322 ( 0.000 -0.747 0.000) 0.747 9.322 ( 0.000 0.747 0.000) 0.747 12.126 ( 0.000 -0.692 0.000) 0.692 12.126 ( 0.000 0.692 0.000) 0.692 12.297 ( 0.000 -4.896 0.000) 4.896 12.297 ( 0.000 4.896 0.000) 4.896 12.402 ( 0.000 -0.916 0.000) 0.916 12.402 ( 0.000 0.916 0.000) 0.916 12.406 ( 0.000 -1.300 0.000) 1.300 12.406 ( 0.000 1.300 0.000) 1.300 12.995 ( 0.000 -1.779 0.000) 1.779 12.995 ( 0.000 1.779 0.000) 1.779 13.032 ( 0.000 -0.372 0.000) 0.372 13.032 ( 0.000 0.372 0.000) 0.372 13.186 ( 0.000 -1.124 0.000) 1.124 13.186 ( 0.000 1.124 0.000) 1.124 13.249 ( 0.000 -1.322 0.000) 1.322 13.249 ( 0.000 1.322 0.000) 1.322 14.575 ( 0.000 -0.808 0.000) 0.808 14.575 ( 0.000 0.808 0.000) 0.808 14.702 ( 0.000 -0.437 0.000) 0.437 14.702 ( 0.000 0.437 0.000) 0.437 16.677 ( 0.000 -9.759 0.000) 9.759 16.677 ( 0.000 9.759 0.000) 9.759 16.746 ( 0.000 -14.949 0.000) 14.949 16.746 ( 0.000 14.949 0.000) 14.949 17.251 ( 0.000 -6.121 0.000) 6.121 17.251 ( 0.000 6.121 0.000) 6.121 19.320 ( 0.000 -22.804 0.000) 22.804 19.320 ( 0.000 22.804 0.000) 22.804 22.086 ( 0.000 -0.755 0.000) 0.755 22.086 ( 0.000 0.755 0.000) 0.755 22.608 ( 0.000 -3.040 0.000) 3.040 22.608 ( 0.000 3.040 0.000) 3.040 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.20 -0.50 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.335 -2.204 0.000) 2.229 0.880 ( 0.335 2.204 0.000) 2.229 0.897 ( 0.928 -4.388 0.000) 4.485 0.897 ( 0.928 4.388 0.000) 4.485 1.030 ( 1.963 -4.842 0.000) 5.225 1.030 ( 1.963 4.842 0.000) 5.225 1.272 ( -2.280 -9.042 0.000) 9.325 1.272 ( -2.280 9.042 0.000) 9.325 1.495 ( 0.449 -5.600 0.000) 5.618 1.495 ( 0.449 5.600 0.000) 5.618 1.537 ( -2.293 -3.131 0.000) 3.881 1.537 ( -2.293 3.131 0.000) 3.881 1.707 ( 4.190 -2.112 0.000) 4.692 1.707 ( 4.190 2.112 0.000) 4.692 1.772 ( 1.179 -8.959 0.000) 9.036 1.772 ( 1.179 8.959 0.000) 9.036 2.106 ( -0.051 -5.565 0.000) 5.565 2.106 ( -0.051 5.565 0.000) 5.565 2.115 ( -1.228 -4.546 0.000) 4.709 2.115 ( -1.228 4.546 0.000) 4.709 2.199 ( -0.272 -7.641 0.000) 7.646 2.199 ( -0.272 7.641 0.000) 7.646 2.379 ( -2.351 -2.305 0.000) 3.293 2.379 ( -2.351 2.305 0.000) 3.293 2.665 ( 1.076 -0.527 0.000) 1.198 2.665 ( 1.076 0.527 0.000) 1.198 2.727 ( -0.495 -1.638 0.000) 1.711 2.727 ( -0.495 1.638 0.000) 1.711 2.891 ( -0.152 -2.760 0.000) 2.764 2.891 ( -0.152 2.760 0.000) 2.764 2.953 ( -0.927 -4.480 0.000) 4.575 2.953 ( -0.927 4.480 0.000) 4.575 3.247 ( 1.813 -1.236 0.000) 2.194 3.247 ( 1.813 1.236 0.000) 2.194 3.327 ( -0.284 -0.567 0.000) 0.634 3.327 ( -0.284 0.567 0.000) 0.634 6.666 ( 1.085 -1.526 0.000) 1.872 6.666 ( 1.085 1.526 0.000) 1.872 6.734 ( -0.562 -2.510 0.000) 2.572 6.734 ( -0.562 2.510 0.000) 2.572 6.751 ( 0.594 -1.311 0.000) 1.439 6.751 ( 0.594 1.311 0.000) 1.439 6.826 ( -1.041 -0.690 0.000) 1.249 6.826 ( -1.041 0.690 0.000) 1.249 7.647 ( 0.199 -1.064 0.000) 1.083 7.647 ( 0.199 1.064 0.000) 1.083 7.666 ( -0.241 -0.442 0.000) 0.503 7.666 ( -0.241 0.442 0.000) 0.503 9.316 ( 0.075 -0.946 0.000) 0.949 9.316 ( 0.075 0.946 0.000) 0.949 9.321 ( -0.053 -0.821 0.000) 0.823 9.321 ( -0.053 0.821 0.000) 0.823 12.124 ( -0.013 -1.216 0.000) 1.216 12.124 ( -0.013 1.216 0.000) 1.216 12.245 ( -3.925 -3.802 0.000) 5.465 12.245 ( -3.925 3.802 0.000) 5.465 12.410 ( 0.761 -1.011 0.000) 1.266 12.410 ( 0.761 1.011 0.000) 1.266 12.427 ( 1.208 -2.060 0.000) 2.388 12.427 ( 1.208 2.060 0.000) 2.388 13.001 ( 0.503 -2.092 0.000) 2.152 13.001 ( 0.503 2.092 0.000) 2.152 13.029 ( -0.254 -1.171 0.000) 1.198 13.029 ( -0.254 1.171 0.000) 1.198 13.198 ( 1.089 -0.847 0.000) 1.380 13.198 ( 1.089 0.847 0.000) 1.380 13.248 ( -0.189 -1.239 0.000) 1.253 13.248 ( -0.189 1.239 0.000) 1.253 14.584 ( 0.930 -1.162 0.000) 1.488 14.584 ( 0.930 1.162 0.000) 1.488 14.688 ( -1.389 -0.794 0.000) 1.600 14.688 ( -1.389 0.794 0.000) 1.600 16.682 ( 0.546 -9.808 0.000) 9.824 16.682 ( 0.546 9.808 0.000) 9.824 16.742 ( -0.534 -15.001 0.000) 15.010 16.742 ( -0.534 15.001 0.000) 15.010 17.414 ( 16.167 -5.569 0.000) 17.100 17.414 ( 16.167 5.569 0.000) 17.100 19.071 ( -23.273 -17.126 0.000) 28.896 19.071 ( -23.273 17.126 0.000) 28.896 22.169 ( 7.401 -2.216 0.000) 7.725 22.169 ( 7.401 2.216 0.000) 7.725 22.576 ( -3.185 -3.534 0.000) 4.757 22.576 ( -3.185 3.534 0.000) 4.757 ======================= Grid point 24 (15/60) ======================= q-point: ( 0.40 -0.50 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.653 -2.279 0.000) 2.371 0.890 ( 0.653 2.279 0.000) 2.371 0.903 ( -0.390 -4.468 0.000) 4.485 0.903 ( -0.390 4.468 0.000) 4.485 1.102 ( 5.016 -6.696 0.000) 8.367 1.102 ( 5.017 6.696 0.000) 8.367 1.204 ( -4.572 -8.604 0.000) 9.743 1.204 ( -4.572 8.604 0.000) 9.743 1.495 ( -0.100 -6.174 0.000) 6.175 1.495 ( -0.100 6.174 0.000) 6.175 1.503 ( -1.023 -4.651 0.000) 4.762 1.503 ( -1.023 4.651 0.000) 4.762 1.782 ( 2.790 -2.541 0.000) 3.773 1.782 ( 2.790 2.541 0.000) 3.773 1.800 ( 0.912 -5.226 0.000) 5.305 1.800 ( 0.912 5.226 0.000) 5.305 2.089 ( -0.992 -5.390 0.000) 5.481 2.089 ( -0.992 5.390 0.000) 5.481 2.089 ( -1.043 -5.567 0.000) 5.664 2.089 ( -1.043 5.567 0.000) 5.664 2.229 ( 3.277 -8.642 0.000) 9.243 2.229 ( 3.277 8.642 0.000) 9.243 2.310 ( -4.257 -5.790 0.000) 7.187 2.310 ( -4.257 5.790 0.000) 7.187 2.690 ( 1.274 -0.768 0.000) 1.488 2.690 ( 1.274 0.768 0.000) 1.488 2.713 ( -0.952 -0.891 0.000) 1.304 2.713 ( -0.952 0.891 0.000) 1.304 2.900 ( 1.058 -3.959 0.000) 4.098 2.900 ( 1.058 3.959 0.000) 4.098 2.927 ( -1.523 -4.273 0.000) 4.537 2.927 ( -1.523 4.273 0.000) 4.537 3.286 ( 1.847 -1.392 0.000) 2.313 3.286 ( 1.847 1.392 0.000) 2.313 3.315 ( -0.993 -1.083 0.000) 1.469 3.315 ( -0.993 1.083 0.000) 1.469 6.693 ( 1.421 -2.456 0.000) 2.837 6.693 ( 1.421 2.456 0.000) 2.837 6.718 ( -1.066 -2.643 0.000) 2.850 6.718 ( -1.066 2.643 0.000) 2.850 6.770 ( 1.256 -1.151 0.000) 1.704 6.770 ( 1.256 1.151 0.000) 1.704 6.799 ( -1.563 -0.823 0.000) 1.766 6.799 ( -1.563 0.823 0.000) 1.766 7.653 ( 0.344 -0.934 0.000) 0.995 7.653 ( 0.344 0.934 0.000) 0.995 7.660 ( -0.370 -0.713 0.000) 0.804 7.660 ( -0.370 0.713 0.000) 0.804 9.318 ( 0.108 -0.976 0.000) 0.982 9.318 ( 0.108 0.976 0.000) 0.982 9.320 ( -0.093 -0.938 0.000) 0.943 9.320 ( -0.093 0.938 0.000) 0.943 12.133 ( 1.060 -2.020 0.000) 2.281 12.133 ( 1.060 2.020 0.000) 2.281 12.172 ( -2.985 -2.800 0.000) 4.092 12.172 ( -2.985 2.800 0.000) 4.092 12.428 ( 0.859 -1.313 0.000) 1.569 12.428 ( 0.859 1.314 0.000) 1.569 12.438 ( -0.093 -1.804 0.000) 1.807 12.438 ( -0.093 1.804 0.000) 1.807 13.012 ( 0.549 -2.258 0.000) 2.324 13.012 ( 0.549 2.258 0.000) 2.324 13.022 ( -0.442 -1.934 0.000) 1.984 13.022 ( -0.442 1.934 0.000) 1.984 13.222 ( 1.169 -0.586 0.000) 1.308 13.222 ( 1.169 0.586 0.000) 1.308 13.240 ( -0.623 -0.953 0.000) 1.139 13.240 ( -0.623 0.953 0.000) 1.139 14.612 ( 1.812 -1.556 0.000) 2.388 14.612 ( 1.812 1.556 0.000) 2.388 14.652 ( -2.089 -1.386 0.000) 2.508 14.652 ( -2.089 1.386 0.000) 2.508 16.699 ( 1.101 -10.834 0.000) 10.890 16.699 ( 1.101 10.834 0.000) 10.890 16.723 ( -1.221 -13.227 0.000) 13.283 16.723 ( -1.221 13.227 0.000) 13.283 17.869 ( 28.540 -2.926 0.000) 28.690 17.869 ( 28.540 2.926 0.000) 28.690 18.493 ( -32.380 -7.075 0.000) 33.143 18.493 ( -32.380 7.075 0.000) 33.143 22.335 ( 8.408 -4.241 0.000) 9.417 22.335 ( 8.408 4.241 0.000) 9.417 22.482 ( -6.203 -4.356 0.000) 7.579 22.482 ( -6.203 4.356 0.000) 7.579 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.214 ( 0.000 0.000 11.087) 11.087 0.249 ( 0.000 0.000 12.959) 12.959 0.627 ( 0.000 0.000 32.119) 32.119 0.994 ( 0.000 0.000 1.030) 1.030 1.005 ( 0.000 0.000 7.655) 7.655 1.082 ( 0.000 0.000 -2.345) 2.345 1.221 ( 0.000 0.000 -6.802) 6.802 1.305 ( 0.000 0.000 9.127) 9.127 1.346 ( 0.000 0.000 1.304) 1.304 1.351 ( 0.000 0.000 -1.748) 1.748 1.362 ( 0.000 0.000 3.543) 3.543 1.555 ( 0.000 0.000 7.052) 7.052 1.556 ( 0.000 0.000 1.180) 1.180 1.631 ( 0.000 0.000 -5.151) 5.151 1.834 ( 0.000 0.000 2.625) 2.625 1.884 ( 0.000 0.000 1.635) 1.635 1.959 ( 0.000 0.000 3.719) 3.719 2.040 ( 0.000 0.000 -0.259) 0.259 2.166 ( 0.000 0.000 -1.139) 1.139 2.208 ( 0.000 0.000 -2.387) 2.387 2.251 ( 0.000 0.000 1.167) 1.167 2.338 ( 0.000 0.000 0.614) 0.614 2.388 ( 0.000 0.000 4.334) 4.334 2.462 ( 0.000 0.000 -0.295) 0.295 2.557 ( 0.000 0.000 3.049) 3.049 2.651 ( 0.000 0.000 -3.772) 3.772 2.770 ( 0.000 0.000 -5.124) 5.124 2.866 ( 0.000 0.000 1.244) 1.244 2.937 ( 0.000 0.000 4.541) 4.541 2.943 ( 0.000 0.000 -0.695) 0.695 2.944 ( 0.000 0.000 0.348) 0.348 3.181 ( 0.000 0.000 0.670) 0.670 3.182 ( 0.000 0.000 0.014) 0.014 3.195 ( 0.000 0.000 0.060) 0.060 3.481 ( 0.000 0.000 -2.706) 2.706 3.562 ( 0.000 0.000 -6.752) 6.752 6.377 ( 0.000 0.000 2.819) 2.819 6.584 ( 0.000 0.000 0.618) 0.618 6.601 ( 0.000 0.000 0.794) 0.794 6.829 ( 0.000 0.000 0.719) 0.719 6.839 ( 0.000 0.000 -2.648) 2.648 6.971 ( 0.000 0.000 -0.991) 0.991 6.978 ( 0.000 0.000 0.317) 0.317 7.050 ( 0.000 0.000 -0.482) 0.482 7.585 ( 0.000 0.000 0.342) 0.342 7.624 ( 0.000 0.000 -0.149) 0.149 7.651 ( 0.000 0.000 0.801) 0.801 7.714 ( 0.000 0.000 -0.220) 0.220 9.319 ( 0.000 0.000 -0.041) 0.041 9.325 ( 0.000 0.000 -0.005) 0.005 9.399 ( 0.000 0.000 -1.508) 1.508 9.422 ( 0.000 0.000 -0.812) 0.812 11.806 ( 0.000 0.000 -1.756) 1.756 11.982 ( 0.000 0.000 -4.121) 4.121 11.995 ( 0.000 0.000 3.113) 3.113 12.181 ( 0.000 0.000 0.702) 0.702 12.351 ( 0.000 0.000 -0.047) 0.047 12.362 ( 0.000 0.000 -0.427) 0.427 12.507 ( 0.000 0.000 -1.310) 1.310 12.664 ( 0.000 0.000 -3.823) 3.823 12.776 ( 0.000 0.000 2.236) 2.236 12.777 ( 0.000 0.000 1.501) 1.501 13.093 ( 0.000 0.000 -0.180) 0.180 13.121 ( 0.000 0.000 0.142) 0.142 13.141 ( 0.000 0.000 -0.431) 0.431 13.167 ( 0.000 0.000 -0.853) 0.853 13.175 ( 0.000 0.000 3.141) 3.141 13.358 ( 0.000 0.000 -0.430) 0.430 14.544 ( 0.000 0.000 -1.888) 1.888 14.605 ( 0.000 0.000 -2.432) 2.432 14.662 ( 0.000 0.000 3.842) 3.842 14.828 ( 0.000 0.000 2.637) 2.637 15.693 ( 0.000 0.000 7.712) 7.712 16.211 ( 0.000 0.000 1.092) 1.092 16.700 ( 0.000 0.000 3.161) 3.161 16.948 ( 0.000 0.000 -0.794) 0.794 17.369 ( 0.000 0.000 -16.436) 16.436 17.612 ( 0.000 0.000 -7.836) 7.836 18.557 ( 0.000 0.000 30.471) 30.471 20.631 ( 0.000 0.000 -6.094) 6.094 22.067 ( 0.000 0.000 0.412) 0.412 22.141 ( 0.000 0.000 -0.415) 0.415 22.642 ( 0.000 0.000 1.693) 1.693 22.840 ( 0.000 0.000 -0.751) 0.751 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.20 0.00 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 10.000 0.000 9.465) 13.769 0.438 ( 14.648 0.000 7.034) 16.249 0.734 ( 10.411 0.000 22.722) 24.993 0.929 ( -6.683 0.000 8.637) 10.921 1.016 ( 2.031 0.000 0.518) 2.097 1.080 ( 0.342 0.000 -3.061) 3.080 1.219 ( -2.332 0.000 -3.683) 4.359 1.244 ( -1.978 0.000 5.177) 5.542 1.289 ( -0.491 0.000 -1.603) 1.676 1.365 ( -7.961 0.000 0.951) 8.018 1.431 ( -0.662 0.000 -1.542) 1.678 1.466 ( 4.568 0.000 10.171) 11.150 1.583 ( 2.905 0.000 5.208) 5.963 1.678 ( 0.222 0.000 -3.807) 3.814 1.814 ( -5.197 0.000 1.074) 5.306 1.917 ( 7.204 0.000 2.501) 7.625 1.918 ( -6.138 0.000 6.062) 8.626 1.986 ( -2.955 0.000 -0.776) 3.055 2.026 ( -7.849 0.000 0.147) 7.850 2.227 ( 3.636 0.000 -2.006) 4.152 2.313 ( -1.469 0.000 1.525) 2.117 2.334 ( 3.505 0.000 -1.529) 3.824 2.459 ( -0.533 0.000 -0.511) 0.738 2.497 ( 4.598 0.000 -3.090) 5.540 2.549 ( 1.348 0.000 2.346) 2.706 2.716 ( 2.639 0.000 -1.596) 3.084 2.752 ( -0.088 0.000 -3.432) 3.433 2.873 ( 0.674 0.000 1.168) 1.349 2.929 ( 0.442 0.000 1.588) 1.649 2.936 ( -0.720 0.000 -0.337) 0.795 2.961 ( 0.312 0.000 2.137) 2.159 3.154 ( -3.428 0.000 1.178) 3.625 3.180 ( -0.091 0.000 0.570) 0.577 3.192 ( -0.290 0.000 0.087) 0.303 3.458 ( -1.952 0.000 -1.652) 2.557 3.507 ( -1.924 0.000 -0.485) 1.984 6.387 ( 0.964 0.000 2.718) 2.884 6.522 ( -3.319 0.000 1.390) 3.599 6.666 ( 3.607 0.000 -0.086) 3.608 6.826 ( -1.244 0.000 -2.418) 2.719 6.836 ( 0.704 0.000 0.869) 1.119 6.926 ( -2.286 0.000 2.404) 3.317 7.002 ( 0.907 0.000 -1.919) 2.122 7.046 ( -0.417 0.000 -0.647) 0.770 7.586 ( 0.184 0.000 0.344) 0.390 7.615 ( -0.698 0.000 0.154) 0.715 7.663 ( 0.907 0.000 0.435) 1.006 7.710 ( -0.401 0.000 -0.185) 0.441 9.316 ( -0.166 0.000 0.056) 0.176 9.322 ( -0.145 0.000 0.156) 0.213 9.406 ( 0.389 0.000 -1.439) 1.491 9.421 ( -0.120 0.000 -0.959) 0.966 11.815 ( 0.914 0.000 -1.697) 1.928 11.933 ( -2.682 0.000 -1.216) 2.945 12.045 ( 2.731 0.000 0.204) 2.739 12.170 ( -1.053 0.000 0.649) 1.237 12.364 ( 1.466 0.000 -0.237) 1.485 12.455 ( 4.638 0.000 -4.192) 6.252 12.501 ( 1.000 0.000 -4.755) 4.859 12.661 ( -0.441 0.000 -4.774) 4.794 12.777 ( 0.072 0.000 1.983) 1.985 12.778 ( 0.087 0.000 1.736) 1.738 13.100 ( 0.699 0.000 0.392) 0.801 13.125 ( 0.401 0.000 0.079) 0.409 13.143 ( 0.218 0.000 -0.465) 0.514 13.164 ( -0.252 0.000 -0.807) 0.846 13.175 ( -0.001 0.000 3.357) 3.357 13.297 ( -4.661 0.000 4.750) 6.655 14.530 ( -0.147 0.000 -1.866) 1.871 14.622 ( -0.767 0.000 0.154) 0.782 14.680 ( 2.823 0.000 1.069) 3.018 14.824 ( -0.619 0.000 1.979) 2.074 15.727 ( 3.351 0.000 7.336) 8.065 16.129 ( -7.142 0.000 2.369) 7.524 16.727 ( 2.490 0.000 3.711) 4.470 17.043 ( 8.472 0.000 -2.108) 8.730 17.247 ( -13.484 0.000 -0.609) 13.498 17.564 ( -4.745 0.000 -7.417) 8.805 18.424 ( -15.691 0.000 34.399) 37.809 18.796 ( -64.719 0.000 71.214) 96.229 22.195 ( 5.166 0.000 0.258) 5.173 22.587 ( -3.119 0.000 1.381) 3.411 22.675 ( 14.043 0.000 -15.521) 20.931 22.858 ( 1.176 0.000 -1.416) 1.840 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.40 0.00 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 9.092 0.000 11.666) 14.790 0.740 ( -9.354 0.000 9.828) 13.567 0.745 ( 15.394 0.000 3.299) 15.743 0.997 ( 10.056 0.000 5.200) 11.321 1.013 ( -8.425 0.000 -0.508) 8.441 1.086 ( -0.588 0.000 -4.241) 4.282 1.126 ( -0.390 0.000 2.937) 2.963 1.199 ( -5.649 0.000 0.515) 5.672 1.263 ( 5.418 0.000 10.053) 11.420 1.346 ( 4.161 0.000 -4.014) 5.781 1.421 ( -2.475 0.000 -3.523) 4.306 1.443 ( -7.939 0.000 12.739) 15.010 1.662 ( 4.255 0.000 6.349) 7.643 1.676 ( 0.846 0.000 -1.291) 1.543 1.723 ( -3.621 0.000 0.230) 3.628 1.753 ( -6.341 0.000 8.252) 10.407 1.946 ( -1.135 0.000 -1.624) 1.981 1.952 ( -1.435 0.000 -1.684) 2.213 2.067 ( 7.294 0.000 0.963) 7.358 2.194 ( -5.221 0.000 -0.331) 5.232 2.361 ( 4.317 0.000 -0.045) 4.317 2.415 ( 4.477 0.000 -4.200) 6.139 2.431 ( -2.459 0.000 -0.661) 2.546 2.494 ( -2.793 0.000 -6.946) 7.487 2.610 ( 2.874 0.000 2.443) 3.772 2.670 ( -3.340 0.000 -0.824) 3.440 2.849 ( 5.992 0.000 0.608) 6.023 2.892 ( 1.166 0.000 0.925) 1.489 2.916 ( -1.197 0.000 0.392) 1.260 2.938 ( -2.486 0.000 2.653) 3.636 2.965 ( 2.809 0.000 1.098) 3.016 3.053 ( -5.696 0.000 4.199) 7.076 3.180 ( 0.138 0.000 0.356) 0.382 3.185 ( -0.370 0.000 0.179) 0.411 3.454 ( 1.194 0.000 -1.411) 1.849 3.482 ( -1.264 0.000 -1.320) 1.828 6.415 ( 1.888 0.000 2.428) 3.076 6.461 ( -2.707 0.000 1.978) 3.353 6.735 ( 3.171 0.000 -0.966) 3.315 6.790 ( -2.346 0.000 -1.800) 2.957 6.856 ( 1.305 0.000 1.300) 1.842 6.886 ( -1.724 0.000 1.992) 2.634 7.019 ( 0.832 0.000 -1.616) 1.818 7.034 ( -0.722 0.000 -1.077) 1.297 7.592 ( 0.384 0.000 0.345) 0.517 7.602 ( -0.591 0.000 0.310) 0.667 7.682 ( 0.934 0.000 0.125) 0.942 7.699 ( -0.733 0.000 -0.073) 0.736 9.315 ( 0.119 0.000 0.003) 0.119 9.319 ( -0.173 0.000 0.050) 0.180 9.412 ( 0.258 0.000 -1.086) 1.116 9.417 ( -0.234 0.000 -1.004) 1.031 11.842 ( 1.720 0.000 -1.537) 2.306 11.882 ( -2.328 0.000 -1.329) 2.680 12.096 ( 2.452 0.000 0.305) 2.471 12.140 ( -1.900 0.000 0.501) 1.965 12.403 ( 2.239 0.000 -0.261) 2.254 12.447 ( -2.070 0.000 -0.182) 2.078 12.585 ( 3.954 0.000 -9.631) 10.411 12.640 ( -1.779 0.000 -7.030) 7.252 12.778 ( 0.088 0.000 1.869) 1.871 12.779 ( 0.010 0.000 1.824) 1.824 13.119 ( 1.064 0.000 0.818) 1.342 13.131 ( -0.021 0.000 0.140) 0.142 13.149 ( 0.373 0.000 -0.562) 0.674 13.157 ( -0.394 0.000 -0.693) 0.797 13.180 ( 0.720 0.000 4.677) 4.732 13.216 ( -3.089 0.000 6.757) 7.429 14.547 ( 1.629 0.000 -1.718) 2.368 14.587 ( -2.179 0.000 -0.264) 2.195 14.744 ( 3.103 0.000 1.572) 3.479 14.797 ( -2.082 0.000 2.095) 2.954 15.824 ( 6.289 0.000 6.232) 8.854 15.970 ( -8.131 0.000 4.487) 9.287 16.793 ( 4.487 0.000 7.201) 8.485 16.944 ( -12.059 0.000 14.865) 19.141 17.239 ( 10.314 0.000 -4.327) 11.185 17.430 ( -8.512 0.000 -6.202) 10.532 18.150 ( -0.407 0.000 30.742) 30.744 18.297 ( -12.318 0.000 27.357) 30.002 22.327 ( 7.526 0.000 1.396) 7.655 22.475 ( -6.928 0.000 1.945) 7.196 22.821 ( 3.557 0.000 -5.965) 6.945 22.863 ( -0.893 0.000 -2.762) 2.903 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.12 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 0.000 9.704 8.230) 12.724 0.409 ( 0.000 14.521 5.540) 15.542 0.818 ( 0.000 14.491 23.797) 27.862 0.940 ( 0.000 -4.028 6.720) 7.835 1.009 ( 0.000 0.098 -0.575) 0.583 1.100 ( 0.000 2.649 -0.539) 2.704 1.219 ( 0.000 -2.290 1.688) 2.845 1.340 ( 0.000 4.566 -3.429) 5.710 1.349 ( 0.000 -2.618 8.711) 9.095 1.417 ( 0.000 4.815 2.570) 5.458 1.445 ( 0.000 -2.131 -2.643) 3.395 1.458 ( 0.000 7.982 1.930) 8.212 1.578 ( 0.000 -4.204 -2.795) 5.048 1.624 ( 0.000 2.515 5.740) 6.267 1.751 ( 0.000 -7.410 3.505) 8.197 1.797 ( 0.000 -3.397 3.788) 5.088 2.012 ( 0.000 -1.730 -0.735) 1.880 2.059 ( 0.000 5.101 1.445) 5.302 2.146 ( 0.000 -1.787 -1.222) 2.165 2.258 ( 0.000 4.042 -2.531) 4.770 2.276 ( 0.000 2.991 0.180) 2.996 2.361 ( 0.000 -3.034 3.573) 4.687 2.411 ( 0.000 3.292 -4.652) 5.699 2.444 ( 0.000 -1.770 -0.132) 1.775 2.558 ( 0.000 0.634 2.800) 2.871 2.613 ( 0.000 -2.043 -1.676) 2.643 2.764 ( 0.000 -0.513 -4.603) 4.632 2.871 ( 0.000 -0.874 4.876) 4.954 2.895 ( 0.000 -3.861 2.949) 4.859 2.908 ( 0.000 -1.294 -1.547) 2.017 2.987 ( 0.000 1.794 1.383) 2.265 3.165 ( 0.000 -0.668 -2.085) 2.190 3.206 ( 0.000 2.266 0.388) 2.299 3.219 ( 0.000 1.538 0.782) 1.725 3.365 ( 0.000 -7.618 4.380) 8.787 3.415 ( 0.000 -5.793 -2.240) 6.211 6.544 ( 0.000 6.680 -6.926) 9.622 6.592 ( 0.000 0.701 0.493) 0.857 6.618 ( 0.000 1.471 0.062) 1.473 6.824 ( 0.000 -0.372 0.605) 0.710 6.836 ( 0.000 -0.268 -2.686) 2.699 6.916 ( 0.000 -4.137 2.033) 4.610 6.946 ( 0.000 -2.297 -0.876) 2.458 7.012 ( 0.000 -3.491 -0.103) 3.492 7.593 ( 0.000 0.695 0.320) 0.765 7.630 ( 0.000 0.497 -0.188) 0.531 7.655 ( 0.000 0.340 0.662) 0.744 7.709 ( 0.000 -0.538 -0.150) 0.559 9.301 ( 0.000 -0.812 -0.368) 0.891 9.320 ( 0.000 -0.345 0.007) 0.345 9.385 ( 0.000 -1.287 -1.604) 2.056 9.408 ( 0.000 -1.254 -0.785) 1.479 11.849 ( 0.000 4.011 -1.922) 4.447 12.019 ( 0.000 2.373 3.060) 3.872 12.057 ( 0.000 2.808 -2.896) 4.034 12.216 ( 0.000 2.461 0.856) 2.606 12.357 ( 0.000 0.721 -0.426) 0.838 12.357 ( 0.000 -0.366 -0.408) 0.548 12.480 ( 0.000 -1.205 0.298) 1.242 12.589 ( 0.000 -4.479 -1.313) 4.667 12.872 ( 0.000 5.917 -1.436) 6.088 12.937 ( 0.000 5.724 -6.782) 8.875 13.093 ( 0.000 0.177 0.671) 0.694 13.117 ( 0.000 -0.457 0.188) 0.495 13.133 ( 0.000 -0.780 -0.123) 0.790 13.173 ( 0.000 0.613 -0.865) 1.060 13.185 ( 0.000 0.823 2.290) 2.434 13.333 ( 0.000 -1.708 0.475) 1.773 14.546 ( 0.000 0.100 -1.366) 1.370 14.599 ( 0.000 -0.443 -2.111) 2.157 14.651 ( 0.000 -0.144 3.019) 3.022 14.799 ( 0.000 -2.465 1.916) 3.122 16.063 ( 0.000 14.729 -19.565) 24.489 16.360 ( 0.000 13.510 1.277) 13.570 16.744 ( 0.000 2.562 4.502) 5.180 17.030 ( 0.000 7.199 -0.523) 7.218 17.291 ( 0.000 -7.071 -16.308) 17.775 17.698 ( 0.000 5.308 -9.017) 10.463 18.462 ( 0.000 -6.563 30.934) 31.623 20.347 ( 0.000 -16.502 5.390) 17.360 22.067 ( 0.000 0.068 0.416) 0.421 22.133 ( 0.000 -0.609 -0.445) 0.754 22.623 ( 0.000 -1.577 1.919) 2.484 22.817 ( 0.000 -2.174 -0.877) 2.344 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.20 0.12 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 8.714 3.494 8.747) 12.832 0.495 ( 6.028 10.546 6.547) 13.799 0.871 ( 4.212 7.492 15.253) 17.508 0.914 ( -1.649 0.953 5.956) 6.253 1.014 ( 0.295 -1.728 -1.140) 2.091 1.100 ( 2.179 3.615 0.376) 4.238 1.225 ( -1.428 -0.341 7.117) 7.267 1.274 ( -5.577 0.285 1.447) 5.769 1.296 ( -4.789 -1.327 3.074) 5.844 1.358 ( -0.624 4.959 -4.717) 6.873 1.465 ( 2.233 4.244 -0.885) 4.876 1.542 ( 2.937 5.637 7.394) 9.751 1.598 ( 3.216 -0.210 1.001) 3.375 1.656 ( 0.301 -1.027 -0.387) 1.138 1.728 ( -1.860 -6.018 1.793) 6.549 1.851 ( 5.592 -5.022 3.981) 8.506 1.981 ( -4.258 2.566 0.547) 5.002 2.002 ( -3.733 1.994 2.655) 4.996 2.076 ( -8.775 4.225 -0.282) 9.744 2.223 ( 3.688 -0.112 -2.963) 4.733 2.306 ( -1.081 -0.606 -0.750) 1.448 2.351 ( 1.496 -0.328 0.477) 1.604 2.453 ( 1.167 -0.734 0.455) 1.452 2.494 ( 2.355 -0.628 -6.470) 6.914 2.566 ( 1.897 1.305 2.943) 3.737 2.675 ( 4.590 -3.377 -0.467) 5.718 2.739 ( -2.381 -0.743 -2.933) 3.850 2.873 ( -0.407 -1.847 -0.238) 1.906 2.878 ( -0.138 -3.950 5.639) 6.886 2.914 ( 0.020 -1.451 0.882) 1.698 2.988 ( -0.109 2.510 -0.175) 2.518 3.113 ( -3.988 -0.928 2.477) 4.786 3.197 ( -0.163 1.372 0.088) 1.384 3.215 ( -0.420 1.631 0.715) 1.829 3.390 ( 1.518 -4.089 0.941) 4.462 3.419 ( 0.400 -5.711 -1.740) 5.984 6.514 ( -2.008 6.252 -3.163) 7.289 6.547 ( -2.650 2.715 0.384) 3.814 6.671 ( 3.319 0.332 -0.207) 3.342 6.824 ( -1.199 -0.235 -2.427) 2.717 6.828 ( 0.400 -0.663 0.760) 1.085 6.893 ( -1.531 -2.817 2.210) 3.894 6.962 ( 0.973 -3.113 -1.232) 3.486 7.007 ( -0.412 -3.474 -0.270) 3.508 7.594 ( 0.183 0.694 0.310) 0.782 7.622 ( -0.640 0.574 0.054) 0.861 7.665 ( 0.793 0.201 0.374) 0.900 7.705 ( -0.331 -0.470 -0.121) 0.587 9.302 ( 0.150 -0.771 -0.347) 0.859 9.317 ( -0.286 -0.409 0.002) 0.499 9.390 ( 0.392 -1.351 -1.466) 2.031 9.407 ( -0.119 -1.254 -0.890) 1.543 11.859 ( 0.980 3.994 -1.770) 4.477 11.987 ( -2.592 3.296 0.413) 4.213 12.076 ( 1.505 2.167 -0.428) 2.673 12.191 ( -1.909 1.835 0.347) 2.670 12.371 ( 1.399 0.587 -0.379) 1.564 12.407 ( 3.789 -2.521 -0.726) 4.609 12.472 ( -0.834 -0.652 0.321) 1.106 12.577 ( -1.205 -4.641 -1.276) 4.962 12.879 ( 0.730 5.931 -2.074) 6.325 12.933 ( -0.462 5.770 -6.356) 8.597 13.102 ( 0.931 0.426 1.099) 1.502 13.121 ( 0.379 -0.542 0.113) 0.671 13.134 ( 0.085 -0.834 -0.111) 0.846 13.169 ( -0.287 0.695 -0.645) 0.991 13.187 ( 0.161 0.907 2.226) 2.409 13.297 ( -3.196 -0.191 2.448) 4.031 14.532 ( -0.621 0.281 -1.442) 1.595 14.615 ( -0.841 -0.381 -0.016) 0.924 14.646 ( 1.399 -1.551 1.831) 2.778 14.789 ( -1.069 -2.671 1.723) 3.353 16.089 ( 2.517 15.453 -17.286) 23.322 16.319 ( -3.420 15.475 -0.549) 15.858 16.787 ( 3.839 4.773 5.968) 8.551 17.106 ( 6.652 4.906 -3.643) 9.032 17.271 ( -2.563 0.828 -7.732) 8.187 17.630 ( -6.620 4.302 -8.772) 11.801 18.372 ( -8.689 -4.633 29.557) 31.154 19.060 ( -73.460 20.719 45.724) 88.973 22.183 ( 4.998 -1.140 0.300) 5.135 22.510 ( 16.652 -10.052 -7.887) 20.989 22.583 ( -1.807 -2.469 0.507) 3.101 22.825 ( 0.322 -2.877 -1.072) 3.088 ======================= Grid point 52 (21/60) ======================= q-point: ( 0.40 0.12 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 4.774 2.012 11.848) 12.931 0.610 ( 3.445 -2.033 7.412) 8.422 0.854 ( 0.812 2.103 6.603) 6.977 0.935 ( -2.826 -2.478 -1.506) 4.049 1.053 ( 3.254 1.326 -0.085) 3.515 1.120 ( -5.202 1.091 2.070) 5.704 1.167 ( 1.367 2.245 2.450) 3.593 1.208 ( -2.846 1.907 2.427) 4.198 1.289 ( 7.954 5.395 7.169) 11.990 1.387 ( 1.097 3.880 -3.148) 5.116 1.475 ( -0.535 5.053 -1.419) 5.276 1.538 ( -4.205 5.851 7.586) 10.462 1.648 ( 1.035 -2.237 -0.943) 2.639 1.685 ( -2.370 -3.125 0.349) 3.937 1.688 ( 4.168 2.766 5.117) 7.156 1.799 ( -8.455 4.390 6.821) 11.717 1.962 ( 1.162 -1.293 -0.870) 1.944 1.968 ( -0.050 0.381 -0.646) 0.751 2.027 ( 4.489 -0.554 1.164) 4.670 2.162 ( -6.683 -2.707 -1.500) 7.365 2.372 ( 4.855 0.798 -0.604) 4.957 2.411 ( 3.363 -1.093 -3.136) 4.726 2.447 ( -1.329 0.575 -0.343) 1.488 2.488 ( -2.519 -1.382 -5.199) 5.940 2.610 ( 2.253 0.030 1.658) 2.797 2.663 ( -3.208 -0.390 -0.950) 3.369 2.784 ( 4.503 -5.607 1.942) 7.449 2.855 ( -2.051 -5.982 4.113) 7.544 2.886 ( 0.196 -1.530 -0.153) 1.551 2.891 ( -1.072 -0.989 0.253) 1.480 3.004 ( 1.862 2.708 0.741) 3.369 3.049 ( -2.555 0.816 3.150) 4.137 3.197 ( 0.149 1.359 0.292) 1.398 3.205 ( -0.551 1.650 0.639) 1.853 3.413 ( 0.869 -3.003 -1.109) 3.317 3.423 ( -0.139 -4.335 -1.310) 4.531 6.489 ( -0.277 5.145 0.032) 5.153 6.503 ( -1.574 3.660 1.015) 4.111 6.735 ( 3.071 0.011 -1.082) 3.256 6.789 ( -2.292 -0.138 -1.883) 2.970 6.841 ( 0.927 -1.302 1.191) 1.993 6.864 ( -1.326 -1.986 1.743) 2.957 6.980 ( 0.871 -3.319 -1.129) 3.612 6.996 ( -0.718 -3.417 -0.684) 3.558 7.600 ( 0.376 0.685 0.277) 0.829 7.609 ( -0.561 0.652 0.208) 0.885 7.682 ( 0.798 -0.042 0.129) 0.810 7.696 ( -0.613 -0.287 -0.030) 0.677 9.306 ( 0.236 -0.691 -0.262) 0.776 9.311 ( -0.267 -0.574 -0.116) 0.644 9.397 ( 0.334 -1.298 -1.186) 1.790 9.403 ( -0.253 -1.250 -1.028) 1.638 11.888 ( 1.881 3.985 -1.338) 4.605 11.933 ( -2.612 3.913 -0.703) 4.757 12.111 ( 1.968 1.252 -0.053) 2.333 12.151 ( -2.026 1.066 -0.074) 2.291 12.406 ( 1.954 0.308 -0.165) 1.985 12.442 ( -1.430 -0.879 -0.061) 1.679 12.485 ( 3.220 -3.662 -0.835) 4.947 12.542 ( -2.349 -4.787 -1.157) 5.456 12.898 ( 1.053 5.900 -3.525) 6.953 12.918 ( -0.943 5.834 -5.127) 7.824 13.124 ( 0.823 0.127 0.005) 0.833 13.131 ( 0.216 -0.072 -0.036) 0.231 13.137 ( 0.921 -0.564 0.970) 1.451 13.160 ( -0.744 0.807 -0.238) 1.123 13.194 ( 0.763 1.093 3.092) 3.367 13.230 ( -2.949 1.170 4.543) 5.541 14.536 ( 1.161 -0.351 -0.618) 1.361 14.573 ( -2.341 -0.702 0.681) 2.537 14.699 ( 3.021 -2.648 1.071) 4.158 14.754 ( -2.395 -2.906 1.502) 4.054 16.157 ( 4.112 17.618 -11.370) 21.368 16.242 ( -4.193 18.495 -5.486) 19.742 16.892 ( 7.276 11.160 11.080) 17.328 17.093 ( -11.398 14.339 10.182) 20.957 17.295 ( 8.313 6.686 -4.441) 11.555 17.468 ( -8.577 2.045 -9.593) 13.030 18.163 ( -6.933 1.865 30.869) 31.693 18.248 ( -14.280 -1.986 31.075) 34.257 22.311 ( 7.376 -1.407 1.201) 7.604 22.457 ( -6.853 -1.590 1.665) 7.229 22.744 ( 5.866 -6.851 -5.287) 10.454 22.814 ( -1.704 -4.310 -2.380) 5.210 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.25 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 0.000 13.520 2.739) 13.794 0.729 ( 0.000 15.984 2.777) 16.223 0.888 ( 0.000 -0.675 6.544) 6.578 0.947 ( 0.000 -5.360 -0.455) 5.379 1.102 ( 0.000 11.041 8.665) 14.035 1.157 ( 0.000 -3.561 4.166) 5.480 1.178 ( 0.000 0.836 10.241) 10.275 1.315 ( 0.000 6.688 10.476) 12.429 1.380 ( 0.000 -6.673 -2.993) 7.313 1.462 ( 0.000 2.310 -3.046) 3.823 1.495 ( 0.000 3.905 -4.613) 6.044 1.529 ( 0.000 5.571 2.825) 6.246 1.606 ( 0.000 -3.259 4.530) 5.580 1.665 ( 0.000 1.204 4.247) 4.414 1.705 ( 0.000 2.872 4.355) 5.217 1.731 ( 0.000 3.039 2.543) 3.963 1.982 ( 0.000 -0.958 -0.055) 0.960 2.104 ( 0.000 -1.911 -1.352) 2.341 2.140 ( 0.000 2.720 0.405) 2.750 2.257 ( 0.000 -6.497 3.071) 7.186 2.314 ( 0.000 -0.227 -5.296) 5.301 2.327 ( 0.000 0.484 -3.049) 3.087 2.400 ( 0.000 -1.239 1.016) 1.602 2.447 ( 0.000 0.408 -0.091) 0.418 2.591 ( 0.000 2.373 1.654) 2.892 2.595 ( 0.000 0.166 -1.462) 1.471 2.754 ( 0.000 -0.425 -3.624) 3.649 2.796 ( 0.000 -4.628 4.261) 6.290 2.845 ( 0.000 -0.867 1.683) 1.893 2.888 ( 0.000 -0.719 -1.913) 2.044 3.002 ( 0.000 -0.654 1.710) 1.831 3.150 ( 0.000 -1.737 -2.585) 3.115 3.255 ( 0.000 1.596 0.643) 1.721 3.257 ( 0.000 1.504 -0.616) 1.625 3.283 ( 0.000 -1.317 3.065) 3.336 3.293 ( 0.000 -3.895 -0.289) 3.906 6.611 ( 0.000 1.057 0.141) 1.067 6.620 ( 0.000 2.063 -2.381) 3.151 6.647 ( 0.000 1.118 -2.363) 2.614 6.812 ( 0.000 -1.239 0.579) 1.368 6.821 ( 0.000 -1.524 -3.094) 3.449 6.842 ( 0.000 -2.402 1.292) 2.727 6.884 ( 0.000 -3.495 -0.468) 3.526 6.927 ( 0.000 -4.097 0.911) 4.197 7.609 ( 0.000 0.849 0.307) 0.903 7.643 ( 0.000 0.722 -0.140) 0.735 7.664 ( 0.000 0.453 0.384) 0.594 7.693 ( 0.000 -0.945 0.024) 0.945 9.291 ( 0.000 -0.228 -0.950) 0.977 9.312 ( 0.000 -0.379 -0.276) 0.468 9.353 ( 0.000 -1.600 -1.657) 2.303 9.375 ( 0.000 -1.858 -0.776) 2.013 11.954 ( 0.000 5.629 -2.486) 6.153 12.090 ( 0.000 4.472 3.137) 5.463 12.094 ( 0.000 1.140 -1.403) 1.808 12.271 ( 0.000 2.815 0.689) 2.898 12.354 ( 0.000 0.211 -0.371) 0.426 12.378 ( 0.000 1.191 -0.180) 1.204 12.464 ( 0.000 -0.412 1.744) 1.792 12.509 ( 0.000 -3.314 -0.086) 3.315 12.963 ( 0.000 2.465 -3.250) 4.080 12.978 ( 0.000 -0.218 -3.375) 3.382 13.095 ( 0.000 -1.674 0.661) 1.800 13.107 ( 0.000 -0.838 1.719) 1.913 13.115 ( 0.000 1.344 0.384) 1.398 13.188 ( 0.000 0.748 -0.594) 0.955 13.204 ( 0.000 0.936 1.167) 1.496 13.300 ( 0.000 -1.513 -0.125) 1.518 14.547 ( 0.000 0.139 -0.591) 0.607 14.590 ( 0.000 -0.424 -1.451) 1.512 14.662 ( 0.000 1.013 1.001) 1.424 14.744 ( 0.000 -2.470 0.516) 2.523 16.210 ( 0.000 3.756 -16.978) 17.389 16.697 ( 0.000 17.306 0.597) 17.316 16.745 ( 0.000 -2.089 9.169) 9.404 17.103 ( 0.000 -10.600 -12.641) 16.497 17.200 ( 0.000 8.161 0.326) 8.168 17.608 ( 0.000 -16.467 -3.417) 16.818 18.509 ( 0.000 13.848 20.973) 25.133 20.051 ( 0.000 -13.715 1.349) 13.781 22.070 ( 0.000 0.204 0.411) 0.459 22.118 ( 0.000 -0.782 -0.379) 0.869 22.589 ( 0.000 -1.426 1.623) 2.161 22.756 ( 0.000 -3.656 -1.029) 3.798 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.20 0.25 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 1.146 10.539 4.832) 11.650 0.756 ( 0.397 13.563 5.730) 14.730 0.885 ( -0.435 0.469 7.819) 7.845 0.926 ( -1.771 -4.060 -1.124) 4.570 1.079 ( 0.640 6.176 5.659) 8.401 1.159 ( 1.662 1.362 1.453) 2.594 1.194 ( -3.133 -2.902 7.883) 8.966 1.319 ( -0.184 6.770 5.391) 8.656 1.372 ( 1.420 4.526 2.593) 5.406 1.430 ( -0.656 1.088 -1.577) 2.025 1.529 ( 2.334 -2.530 -1.733) 3.854 1.556 ( 0.874 3.522 -0.209) 3.634 1.610 ( 0.196 -1.274 1.904) 2.299 1.668 ( 0.801 0.201 4.456) 4.531 1.730 ( 2.611 8.172 3.336) 9.205 1.770 ( 3.650 -1.002 4.214) 5.664 1.982 ( -0.187 -0.596 -0.105) 0.633 2.045 ( -2.906 0.546 0.789) 3.060 2.168 ( -8.817 2.695 -1.528) 9.345 2.219 ( -0.202 -0.900 -2.767) 2.916 2.270 ( 0.244 -2.941 2.996) 4.206 2.284 ( 0.169 -3.717 -0.337) 3.736 2.444 ( 1.849 -2.618 -2.657) 4.163 2.458 ( -0.018 -1.132 -0.974) 1.493 2.596 ( 0.869 2.006 0.801) 2.328 2.628 ( 2.528 -0.691 0.074) 2.622 2.724 ( -2.590 -0.619 -2.081) 3.380 2.782 ( -1.194 -3.483 4.224) 5.604 2.850 ( 0.566 -0.626 -0.192) 0.865 2.897 ( 0.341 -0.676 -1.144) 1.372 3.016 ( 1.071 -0.619 1.020) 1.603 3.112 ( -3.153 -0.577 -0.014) 3.206 3.224 ( -0.748 0.716 0.391) 1.107 3.256 ( -0.276 2.272 0.535) 2.350 3.314 ( 1.737 -3.425 -0.740) 3.911 3.332 ( 2.331 -1.650 0.539) 2.906 6.582 ( -1.179 2.303 0.086) 2.588 6.621 ( -1.370 2.806 -3.516) 4.702 6.676 ( 2.687 0.089 -0.580) 2.751 6.808 ( -0.693 -1.604 -0.936) 1.983 6.813 ( -0.455 -1.006 -1.104) 1.562 6.833 ( -0.723 -2.265 1.379) 2.748 6.890 ( 0.497 -3.691 -0.534) 3.763 6.923 ( -0.387 -4.160 0.719) 4.239 7.611 ( 0.187 0.859 0.280) 0.923 7.636 ( -0.535 0.823 -0.002) 0.982 7.670 ( 0.478 0.211 0.241) 0.576 7.692 ( -0.154 -0.847 0.033) 0.862 9.292 ( 0.111 -0.255 -0.878) 0.921 9.308 ( -0.366 -0.372 -0.361) 0.635 9.358 ( 0.362 -1.637 -1.489) 2.242 9.374 ( -0.093 -1.835 -0.859) 2.028 11.961 ( 0.683 5.348 -2.047) 5.767 12.059 ( -1.980 3.813 1.290) 4.486 12.113 ( 0.964 1.517 -0.140) 1.803 12.238 ( -2.775 2.515 -0.168) 3.749 12.370 ( 1.496 -0.441 -1.189) 1.961 12.396 ( 1.341 0.856 1.659) 2.299 12.465 ( 0.122 -0.035 1.978) 1.982 12.503 ( -0.653 -2.561 -0.177) 2.649 12.958 ( -0.213 1.378 -2.862) 3.183 12.979 ( -0.145 0.422 -3.554) 3.582 13.097 ( 0.191 -1.692 0.109) 1.707 13.108 ( 0.016 -1.517 0.539) 1.610 13.131 ( 1.571 2.164 1.301) 2.974 13.189 ( 0.048 1.031 -0.543) 1.166 13.206 ( 0.231 0.869 1.254) 1.543 13.286 ( -1.327 -0.802 0.226) 1.567 14.541 ( -0.331 0.588 -0.612) 0.911 14.607 ( 1.063 -0.572 -1.196) 1.699 14.638 ( -1.761 0.770 1.238) 2.286 14.734 ( -1.090 -2.399 0.324) 2.655 16.244 ( 3.287 3.653 -15.676) 16.428 16.568 ( -6.163 5.176 -2.423) 8.405 16.957 ( 13.662 13.607 9.279) 21.398 17.095 ( 1.857 -7.255 -8.915) 11.643 17.315 ( 7.873 2.258 -4.704) 9.445 17.571 ( -1.883 -10.425 -0.293) 10.598 18.416 ( -8.886 11.782 21.084) 25.735 19.374 ( -53.245 7.340 13.157) 55.336 22.156 ( 4.948 -1.184 0.350) 5.100 22.325 ( 15.811 -6.913 -3.537) 17.615 22.545 ( -4.055 -1.390 1.514) 4.546 22.748 ( -1.014 -4.385 -1.248) 4.670 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.40 0.25 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 3.151 6.631 7.656) 10.607 0.707 ( -3.968 7.437 8.350) 11.865 0.894 ( 1.543 2.471 6.432) 7.061 0.916 ( -0.122 1.580 2.759) 3.181 1.085 ( -0.608 2.577 2.059) 3.354 1.103 ( -3.416 -1.210 3.767) 5.227 1.211 ( 2.676 2.407 2.320) 4.283 1.274 ( -3.340 2.956 -0.166) 4.463 1.432 ( 3.128 3.802 -0.224) 4.928 1.461 ( 1.070 2.762 -1.433) 3.290 1.574 ( 1.776 -3.018 -2.617) 4.372 1.584 ( 4.268 5.532 5.026) 8.607 1.605 ( -0.546 -2.031 0.433) 2.147 1.674 ( -1.553 3.999 4.835) 6.464 1.795 ( 3.791 7.488 3.759) 9.197 1.868 ( 4.317 -1.466 3.765) 5.913 1.935 ( -6.425 4.201 1.323) 7.790 1.974 ( -2.144 0.965 0.039) 2.351 2.044 ( -0.840 0.285 -0.187) 0.906 2.105 ( -6.542 -2.578 0.184) 7.034 2.318 ( 2.978 -6.773 0.248) 7.403 2.349 ( 2.176 -4.932 -1.426) 5.576 2.434 ( -0.904 -1.587 -0.428) 1.876 2.455 ( -1.057 -1.036 -1.503) 2.110 2.622 ( 1.849 1.513 -0.440) 2.430 2.662 ( -1.489 0.172 -1.043) 1.826 2.698 ( 2.187 -1.697 1.370) 3.089 2.749 ( -2.189 -3.029 3.611) 5.197 2.865 ( 0.911 -0.731 -0.893) 1.470 2.888 ( -1.173 -0.265 -0.463) 1.288 3.036 ( 0.955 -0.368 0.558) 1.166 3.060 ( -1.721 -0.284 1.069) 2.046 3.227 ( 0.820 1.509 0.452) 1.776 3.245 ( -0.788 2.133 0.552) 2.340 3.347 ( 1.289 -2.609 -0.895) 3.045 3.358 ( 0.314 -2.144 -0.551) 2.236 6.572 ( 0.218 3.322 -0.241) 3.338 6.589 ( -1.444 3.608 -1.578) 4.195 6.731 ( 2.719 -0.486 -1.440) 3.115 6.779 ( -2.012 -1.020 -2.126) 3.099 6.811 ( 0.162 -1.453 0.976) 1.758 6.819 ( -0.598 -1.937 1.320) 2.419 6.901 ( 0.592 -4.011 -0.307) 4.066 6.913 ( -0.576 -4.194 0.221) 4.239 7.616 ( 0.371 0.881 0.209) 0.978 7.625 ( -0.520 0.885 0.116) 1.033 7.679 ( 0.441 -0.194 0.126) 0.498 7.687 ( -0.307 -0.576 0.063) 0.656 9.295 ( 0.226 -0.318 -0.701) 0.802 9.301 ( -0.340 -0.361 -0.510) 0.711 9.365 ( 0.346 -1.699 -1.234) 2.128 9.371 ( -0.222 -1.770 -1.032) 2.061 11.982 ( 1.447 4.739 -0.892) 5.034 12.017 ( -2.032 4.207 0.445) 4.693 12.137 ( 1.632 1.081 -0.714) 2.084 12.181 ( -2.678 1.563 -0.857) 3.217 12.404 ( 1.546 -0.781 -0.654) 1.851 12.416 ( 0.383 -0.352 1.656) 1.736 12.469 ( 0.329 0.364 1.937) 1.998 12.484 ( -1.109 -0.997 0.503) 1.574 12.959 ( 0.357 0.704 -2.774) 2.884 12.970 ( -0.620 0.522 -3.101) 3.205 13.102 ( 0.271 -1.739 -0.303) 1.786 13.107 ( -0.154 -1.724 -0.157) 1.738 13.168 ( 1.703 2.080 0.326) 2.708 13.187 ( -0.348 1.432 -0.432) 1.536 13.217 ( 1.066 0.981 1.626) 2.178 13.251 ( -2.060 0.590 1.158) 2.436 14.545 ( 0.886 1.049 -0.059) 1.374 14.578 ( -2.338 1.136 0.537) 2.654 14.657 ( 2.251 -1.538 -0.273) 2.740 14.702 ( -2.085 -2.123 -0.022) 2.976 16.334 ( 5.547 3.323 -12.675) 14.229 16.451 ( -5.920 3.285 -8.572) 10.923 17.134 ( 5.856 -5.730 -7.656) 11.214 17.232 ( 0.538 3.787 -0.020) 3.825 17.452 ( 15.095 7.463 -1.854) 16.941 17.646 ( 5.132 17.392 4.799) 18.758 18.203 ( -9.574 5.422 23.425) 25.880 18.403 ( -36.243 13.431 24.611) 45.822 22.281 ( 7.201 -1.119 0.714) 7.322 22.423 ( -6.425 -1.320 0.798) 6.608 22.583 ( 8.513 -7.959 -3.266) 12.103 22.703 ( -3.825 -6.107 -2.177) 7.527 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.38 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 6.737 2.714) 7.263 0.865 ( 0.000 1.536 1.845) 2.400 0.915 ( 0.000 2.960 7.160) 7.747 1.024 ( 0.000 5.859 1.477) 6.043 1.074 ( 0.000 0.774 4.759) 4.821 1.143 ( 0.000 -2.576 13.984) 14.219 1.218 ( 0.000 -5.694 2.278) 6.133 1.289 ( 0.000 7.562 1.374) 7.686 1.494 ( 0.000 3.050 3.455) 4.609 1.532 ( 0.000 2.411 -1.460) 2.819 1.546 ( 0.000 1.003 -2.167) 2.388 1.561 ( 0.000 -0.610 1.522) 1.640 1.635 ( 0.000 -3.306 3.887) 5.103 1.657 ( 0.000 8.829 8.872) 12.517 1.676 ( 0.000 0.139 0.838) 0.849 1.914 ( 0.000 6.228 3.526) 7.157 1.982 ( 0.000 1.333 -1.207) 1.798 2.095 ( 0.000 1.624 0.700) 1.768 2.111 ( 0.000 -5.025 1.552) 5.259 2.166 ( 0.000 -2.065 -0.996) 2.292 2.263 ( 0.000 -4.214 -0.306) 4.225 2.267 ( 0.000 -3.802 -5.026) 6.302 2.406 ( 0.000 0.280 0.974) 1.013 2.438 ( 0.000 -1.016 1.804) 2.071 2.613 ( 0.000 1.501 -1.298) 1.985 2.642 ( 0.000 1.966 0.564) 2.046 2.731 ( 0.000 -1.509 1.899) 2.426 2.743 ( 0.000 -0.764 -2.823) 2.925 2.855 ( 0.000 1.480 -0.212) 1.495 2.885 ( 0.000 0.767 -1.725) 1.888 2.962 ( 0.000 -2.558 1.198) 2.825 3.075 ( 0.000 -5.204 -0.455) 5.223 3.227 ( 0.000 -0.590 0.235) 0.635 3.252 ( 0.000 -0.725 1.327) 1.512 3.308 ( 0.000 1.818 0.271) 1.838 3.314 ( 0.000 1.655 0.166) 1.663 6.632 ( 0.000 0.945 -0.381) 1.019 6.645 ( 0.000 0.464 -0.577) 0.740 6.670 ( 0.000 1.301 -3.086) 3.349 6.766 ( 0.000 -3.423 -2.965) 4.529 6.773 ( 0.000 -1.476 1.523) 2.121 6.814 ( 0.000 -3.057 0.368) 3.079 6.828 ( 0.000 0.209 0.178) 0.275 6.867 ( 0.000 -1.813 1.031) 2.085 7.627 ( 0.000 0.885 0.246) 0.919 7.657 ( 0.000 0.389 -0.209) 0.442 7.671 ( 0.000 0.205 0.205) 0.290 7.673 ( 0.000 -0.855 0.315) 0.911 9.291 ( 0.000 0.351 -1.034) 1.092 9.307 ( 0.000 -0.090 -0.654) 0.660 9.325 ( 0.000 -1.144 -1.412) 1.817 9.337 ( 0.000 -1.693 -0.886) 1.911 12.052 ( 0.000 3.466 -2.677) 4.379 12.107 ( 0.000 0.127 -1.679) 1.684 12.204 ( 0.000 6.502 2.910) 7.123 12.322 ( 0.000 1.953 -0.914) 2.156 12.366 ( 0.000 0.666 -0.881) 1.105 12.392 ( 0.000 -0.436 1.117) 1.199 12.457 ( 0.000 -1.560 1.199) 1.968 12.460 ( 0.000 -0.145 2.842) 2.846 12.967 ( 0.000 -0.207 -1.641) 1.654 12.983 ( 0.000 0.016 -2.806) 2.806 13.056 ( 0.000 -1.797 0.414) 1.844 13.070 ( 0.000 -2.056 0.650) 2.156 13.162 ( 0.000 2.160 1.301) 2.522 13.198 ( 0.000 0.172 -0.004) 0.172 13.223 ( 0.000 0.945 0.153) 0.957 13.271 ( 0.000 -1.354 -0.509) 1.447 14.555 ( 0.000 0.611 -0.381) 0.720 14.581 ( 0.000 -0.448 -0.825) 0.939 14.682 ( 0.000 0.692 -0.405) 0.802 14.706 ( 0.000 -1.242 -0.707) 1.429 16.324 ( 0.000 8.751 -14.541) 16.971 16.705 ( 0.000 -0.702 9.232) 9.258 16.854 ( 0.000 -9.383 -13.170) 16.170 16.984 ( 0.000 -1.663 1.145) 2.019 17.220 ( 0.000 -9.948 5.802) 11.516 17.320 ( 0.000 2.704 2.377) 3.600 18.911 ( 0.000 22.350 9.591) 24.321 19.745 ( 0.000 -16.632 0.529) 16.640 22.076 ( 0.000 0.414 0.347) 0.540 22.102 ( 0.000 -0.785 -0.109) 0.792 22.576 ( 0.000 0.383 0.871) 0.951 22.676 ( 0.000 -3.868 -0.806) 3.951 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.20 0.38 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -0.832 9.125 4.340) 10.139 0.866 ( 0.076 1.148 1.406) 1.817 0.931 ( 1.038 3.288 7.554) 8.304 1.019 ( -2.468 6.424 8.623) 11.033 1.087 ( 4.382 0.425 1.629) 4.695 1.138 ( -2.400 -2.475 7.694) 8.431 1.230 ( 1.887 -3.272 2.734) 4.663 1.305 ( 0.748 5.281 1.767) 5.618 1.463 ( -3.817 2.313 0.607) 4.505 1.487 ( -1.134 -1.408 1.383) 2.276 1.524 ( -1.477 -0.124 -3.031) 3.374 1.591 ( 0.403 -1.665 0.108) 1.716 1.632 ( 2.352 5.238 5.202) 7.748 1.706 ( 3.606 5.206 6.284) 8.921 1.746 ( 5.054 -0.552 1.827) 5.402 1.924 ( 1.077 6.138 3.383) 7.091 1.985 ( -0.024 1.348 -0.525) 1.447 2.060 ( -1.971 1.553 0.848) 2.648 2.083 ( -3.362 -3.415 0.922) 4.880 2.189 ( 0.169 -5.019 -1.355) 5.202 2.204 ( -0.857 -2.475 -1.865) 3.215 2.292 ( -2.537 0.903 -1.240) 2.964 2.370 ( -0.924 -2.964 1.038) 3.274 2.428 ( -1.092 -1.774 1.190) 2.399 2.634 ( 1.768 1.142 -0.870) 2.277 2.649 ( 0.744 2.218 0.123) 2.343 2.716 ( -0.991 -0.083 -0.874) 1.324 2.741 ( -0.630 -1.007 0.613) 1.336 2.852 ( -0.170 0.883 -0.557) 1.057 2.890 ( 0.230 0.450 -1.074) 1.188 2.968 ( 0.675 -3.215 0.875) 3.399 3.057 ( -1.703 -4.537 -0.155) 4.849 3.231 ( 0.821 0.642 0.477) 1.146 3.276 ( 1.870 -1.142 0.428) 2.233 3.302 ( -0.492 1.917 0.285) 1.999 3.325 ( 0.640 0.482 -0.002) 0.801 6.623 ( -0.148 1.770 -0.431) 1.828 6.663 ( -0.632 1.572 -2.794) 3.268 6.673 ( 1.926 -0.354 -1.114) 2.253 6.759 ( -0.574 -2.920 -2.103) 3.644 6.778 ( 0.324 -1.561 0.623) 1.712 6.811 ( -0.414 -1.626 0.761) 1.843 6.825 ( -0.120 -1.281 0.169) 1.298 6.859 ( -0.705 -1.964 1.091) 2.355 7.629 ( 0.216 0.899 0.225) 0.952 7.653 ( -0.352 0.680 -0.070) 0.768 7.670 ( 0.014 -0.538 0.127) 0.553 7.674 ( 0.045 -0.437 0.257) 0.509 9.292 ( 0.077 0.342 -1.005) 1.064 9.304 ( -0.262 0.019 -0.751) 0.795 9.327 ( 0.237 -1.251 -1.283) 1.807 9.337 ( -0.035 -1.666 -0.932) 1.909 12.054 ( 0.264 3.390 -2.017) 3.954 12.113 ( 0.534 0.487 -1.482) 1.649 12.171 ( -2.653 4.800 1.974) 5.829 12.278 ( -3.915 0.927 -0.428) 4.046 12.372 ( 1.504 0.792 -1.097) 2.023 12.412 ( 0.864 0.614 2.397) 2.621 12.462 ( 0.408 -0.565 2.594) 2.686 12.471 ( 0.717 -0.766 0.646) 1.232 12.963 ( -0.121 0.259 -1.661) 1.685 12.986 ( 0.001 0.314 -2.382) 2.402 13.055 ( -0.010 -2.169 -0.002) 2.169 13.069 ( -0.176 -2.162 0.248) 2.183 13.177 ( 1.323 1.883 0.891) 2.468 13.205 ( 0.609 0.400 -0.025) 0.729 13.223 ( -0.006 0.862 0.236) 0.894 13.266 ( -0.451 -1.094 -0.421) 1.256 14.557 ( 0.337 0.995 -0.270) 1.085 14.594 ( 1.162 -0.682 -0.995) 1.675 14.660 ( -1.949 1.043 -0.373) 2.242 14.696 ( -1.034 -1.317 -0.755) 1.837 16.349 ( 2.473 8.113 -13.310) 15.783 16.605 ( -5.778 1.277 -0.538) 5.942 16.880 ( 0.130 -10.759 -5.870) 12.257 17.049 ( -0.394 -20.299 -6.344) 21.271 17.295 ( 15.932 12.646 8.575) 22.075 17.515 ( 16.253 1.816 7.528) 18.004 18.762 ( -14.311 19.110 10.505) 26.084 19.369 ( -33.518 -6.856 4.551) 34.514 22.144 ( 5.431 0.172 0.177) 5.437 22.220 ( 10.470 -3.635 -1.392) 11.170 22.535 ( -3.970 0.633 0.729) 4.085 22.654 ( -2.327 -4.525 -1.018) 5.189 ======================= Grid point 62 (27/60) ======================= q-point: ( 0.40 0.38 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 1.283 9.110 6.034) 11.002 0.848 ( -1.875 6.171 4.559) 7.898 0.958 ( 1.911 3.271 7.048) 8.001 0.997 ( -1.181 3.823 7.349) 8.368 1.100 ( 0.239 0.883 6.258) 6.325 1.131 ( -0.781 2.037 4.565) 5.059 1.281 ( 2.813 -0.062 -1.062) 3.007 1.310 ( -0.068 2.482 -0.833) 2.618 1.404 ( -1.161 -0.205 1.303) 1.757 1.437 ( -3.232 -4.989 1.298) 6.084 1.529 ( 1.624 -1.468 -2.111) 3.041 1.570 ( -2.096 -2.426 -1.128) 3.399 1.716 ( 4.517 5.408 3.024) 7.668 1.759 ( 0.710 4.320 4.041) 5.958 1.850 ( 5.119 -0.375 2.431) 5.679 1.942 ( -2.695 -0.688 5.080) 5.792 1.977 ( 1.752 4.347 -0.015) 4.686 2.016 ( -1.961 0.096 0.270) 1.982 2.042 ( 1.174 5.444 0.798) 5.626 2.145 ( -7.014 5.082 1.510) 8.792 2.193 ( 1.458 -5.099 -1.407) 5.487 2.229 ( -1.628 -4.012 -1.103) 4.468 2.384 ( 1.111 -5.111 0.301) 5.239 2.405 ( -1.060 -2.965 0.767) 3.241 2.668 ( 1.053 2.212 -0.729) 2.556 2.671 ( 1.522 0.777 -0.685) 1.841 2.699 ( -0.547 0.884 -0.849) 1.343 2.717 ( -1.592 -0.582 1.407) 2.203 2.858 ( 0.946 0.454 -0.123) 1.057 2.882 ( -1.077 0.344 0.075) 1.133 2.988 ( 1.270 -3.803 0.193) 4.014 3.019 ( -1.841 -3.730 -0.064) 4.160 3.258 ( 1.612 1.490 0.312) 2.217 3.286 ( -1.107 1.780 0.266) 2.113 3.312 ( 1.477 -1.219 -0.172) 1.922 3.330 ( -0.266 -0.744 -0.242) 0.826 6.629 ( 0.673 2.362 -1.050) 2.671 6.646 ( -0.947 2.214 -2.035) 3.153 6.712 ( 1.898 -1.426 -1.924) 3.056 6.743 ( -1.151 -2.394 -2.289) 3.507 6.785 ( 0.495 -0.824 0.924) 1.334 6.798 ( -0.735 -0.262 1.103) 1.351 6.828 ( 0.450 -2.805 0.590) 2.902 6.842 ( -0.893 -2.447 1.059) 2.812 7.635 ( 0.400 0.924 0.171) 1.021 7.644 ( -0.482 0.895 0.084) 1.020 7.672 ( 0.104 -0.699 0.093) 0.713 7.674 ( -0.071 -0.551 0.163) 0.579 9.295 ( 0.159 0.301 -0.931) 0.992 9.299 ( -0.245 0.195 -0.847) 0.903 9.332 ( 0.214 -1.437 -1.139) 1.847 9.335 ( -0.116 -1.582 -1.031) 1.891 12.068 ( 1.255 3.468 -0.604) 3.737 12.104 ( -2.122 4.013 0.495) 4.566 12.148 ( 1.490 -0.137 -0.811) 1.701 12.200 ( -3.511 0.028 -0.653) 3.572 12.404 ( 1.396 1.036 0.063) 1.740 12.420 ( -0.123 0.847 1.686) 1.891 12.470 ( 0.395 -0.457 2.236) 2.316 12.477 ( -0.164 -0.507 1.170) 1.286 12.967 ( 0.475 0.781 -1.584) 1.829 12.979 ( -0.605 0.818 -1.734) 2.010 13.058 ( 0.256 -2.512 -0.547) 2.583 13.064 ( -0.290 -2.404 -0.408) 2.455 13.203 ( 0.997 1.304 0.025) 1.641 13.214 ( -0.080 1.169 -0.322) 1.215 13.229 ( 0.970 0.180 0.533) 1.121 13.252 ( -1.022 -0.430 -0.083) 1.112 14.573 ( 1.350 1.585 -0.230) 2.095 14.608 ( -1.539 1.359 -0.711) 2.173 14.632 ( 1.081 -0.847 -0.649) 1.518 14.666 ( -1.803 -1.366 -0.919) 2.441 16.416 ( 4.081 6.294 -10.174) 12.641 16.504 ( -4.658 3.764 -6.149) 8.583 16.901 ( 2.495 -13.580 -7.002) 15.481 16.977 ( -4.647 -18.195 -8.032) 20.425 17.787 ( 29.696 14.570 8.921) 34.260 17.912 ( 22.240 8.281 8.733) 25.288 18.389 ( -20.976 10.850 13.091) 27.001 18.608 ( -38.371 4.571 10.956) 40.165 22.278 ( 7.472 0.998 0.063) 7.539 22.409 ( 0.307 -1.451 -1.410) 2.046 22.445 ( 2.241 -3.720 -0.348) 4.357 22.577 ( -5.506 -5.825 -1.593) 8.172 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 -0.50 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 -5.805 1.723) 6.055 0.899 ( 0.000 5.805 1.723) 6.055 0.968 ( 0.000 -1.274 7.975) 8.076 0.968 ( 0.000 1.274 7.975) 8.076 1.106 ( 0.000 -0.631 7.777) 7.803 1.106 ( 0.000 0.631 7.777) 7.803 1.319 ( 0.000 -7.883 2.083) 8.154 1.319 ( 0.000 7.883 2.083) 8.154 1.493 ( 0.000 -3.697 1.567) 4.016 1.493 ( 0.000 3.697 1.567) 4.016 1.569 ( 0.000 -0.101 -2.486) 2.488 1.569 ( 0.000 0.101 -2.486) 2.488 1.640 ( 0.000 -2.961 1.724) 3.426 1.640 ( 0.000 2.961 1.724) 3.426 1.858 ( 0.000 -8.727 9.261) 12.725 1.858 ( 0.000 8.727 9.261) 12.725 2.060 ( 0.000 -5.520 -2.058) 5.892 2.060 ( 0.000 5.520 -2.058) 5.892 2.134 ( 0.000 -1.255 -1.938) 2.308 2.134 ( 0.000 1.255 -1.938) 2.308 2.201 ( 0.000 -0.442 0.238) 0.502 2.201 ( 0.000 0.442 0.238) 0.502 2.415 ( 0.000 -0.917 1.333) 1.618 2.415 ( 0.000 0.917 1.333) 1.618 2.647 ( 0.000 -1.328 -0.529) 1.430 2.647 ( 0.000 1.328 -0.529) 1.430 2.726 ( 0.000 -0.641 -0.955) 1.150 2.726 ( 0.000 0.641 -0.955) 1.150 2.891 ( 0.000 -1.608 -0.620) 1.724 2.891 ( 0.000 1.608 -0.620) 1.724 2.966 ( 0.000 -4.333 0.357) 4.348 2.966 ( 0.000 4.333 0.357) 4.348 3.235 ( 0.000 -0.858 0.737) 1.131 3.235 ( 0.000 0.858 0.737) 1.131 3.330 ( 0.000 -0.158 0.075) 0.175 3.330 ( 0.000 0.158 0.075) 0.175 6.646 ( 0.000 -0.357 -0.817) 0.891 6.646 ( 0.000 0.357 -0.817) 0.891 6.705 ( 0.000 -2.310 -2.634) 3.504 6.705 ( 0.000 2.310 -2.634) 3.504 6.769 ( 0.000 -1.119 1.349) 1.753 6.769 ( 0.000 1.119 1.349) 1.753 6.840 ( 0.000 -0.935 0.384) 1.011 6.840 ( 0.000 0.935 0.384) 1.011 7.646 ( 0.000 -0.974 0.076) 0.976 7.646 ( 0.000 0.974 0.076) 0.976 7.671 ( 0.000 -0.210 0.200) 0.290 7.671 ( 0.000 0.210 0.200) 0.290 9.305 ( 0.000 -0.903 -0.979) 1.332 9.305 ( 0.000 0.903 -0.979) 1.332 9.311 ( 0.000 -0.631 -1.048) 1.224 9.311 ( 0.000 0.631 -1.048) 1.224 12.098 ( 0.000 -1.171 -2.179) 2.473 12.098 ( 0.000 1.171 -2.179) 2.473 12.326 ( 0.000 -3.980 1.838) 4.384 12.326 ( 0.000 3.980 1.838) 4.384 12.365 ( 0.000 -0.196 -1.453) 1.466 12.365 ( 0.000 0.196 -1.453) 1.466 12.451 ( 0.000 -0.608 2.784) 2.849 12.451 ( 0.000 0.608 2.784) 2.849 12.975 ( 0.000 -0.652 -1.724) 1.843 12.975 ( 0.000 0.652 -1.724) 1.843 13.039 ( 0.000 -0.472 0.362) 0.594 13.039 ( 0.000 0.472 0.362) 0.594 13.193 ( 0.000 -0.798 0.698) 1.060 13.193 ( 0.000 0.798 0.698) 1.060 13.245 ( 0.000 -1.178 -0.450) 1.261 13.245 ( 0.000 1.178 -0.450) 1.261 14.570 ( 0.000 -0.705 -0.471) 0.848 14.570 ( 0.000 0.705 -0.471) 0.848 14.691 ( 0.000 -0.367 -1.103) 1.162 14.691 ( 0.000 0.367 -1.103) 1.162 16.589 ( 0.000 -16.056 -14.822) 21.851 16.589 ( 0.000 16.056 -14.822) 21.851 16.757 ( 0.000 -6.955 7.377) 10.138 16.757 ( 0.000 6.955 7.377) 10.138 17.296 ( 0.000 -4.992 4.543) 6.750 17.296 ( 0.000 4.992 4.543) 6.750 19.361 ( 0.000 -20.713 3.595) 21.023 19.361 ( 0.000 20.713 3.595) 21.023 22.087 ( 0.000 -0.636 0.172) 0.659 22.087 ( 0.000 0.636 0.172) 0.659 22.607 ( 0.000 -2.593 -0.081) 2.594 22.607 ( 0.000 2.593 -0.081) 2.594 ======================= Grid point 67 (29/60) ======================= q-point: ( 0.20 -0.50 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 2.052 -5.605 2.308) 6.399 0.923 ( 2.052 5.605 2.308) 6.399 0.968 ( 0.050 -3.128 7.618) 8.235 0.968 ( 0.050 3.128 7.618) 8.235 1.113 ( 0.971 -1.594 7.310) 7.544 1.113 ( 0.971 1.594 7.310) 7.544 1.309 ( -1.240 -8.250 3.107) 8.902 1.309 ( -1.240 8.250 3.107) 8.902 1.484 ( -1.440 -3.173 -0.374) 3.505 1.484 ( -1.440 3.173 -0.374) 3.505 1.523 ( -2.244 -0.971 -1.474) 2.855 1.523 ( -2.244 0.971 -1.474) 2.855 1.706 ( 4.650 -2.873 1.280) 5.614 1.706 ( 4.650 2.873 1.280) 5.614 1.862 ( 0.309 -7.474 8.251) 11.137 1.862 ( 0.309 7.474 8.251) 11.137 2.064 ( 0.262 -5.714 -1.885) 6.022 2.064 ( 0.262 5.714 -1.885) 6.022 2.124 ( -1.127 -4.232 -1.521) 4.636 2.124 ( -1.127 4.232 -1.521) 4.636 2.199 ( 0.324 -7.066 0.754) 7.113 2.199 ( 0.324 7.066 0.754) 7.113 2.387 ( -2.717 -2.291 0.974) 3.685 2.387 ( -2.717 2.291 0.974) 3.685 2.661 ( 1.181 -1.032 -0.473) 1.638 2.661 ( 1.181 1.032 -0.473) 1.638 2.723 ( -0.319 -0.706 -0.640) 1.005 2.723 ( -0.319 0.706 -0.640) 1.005 2.888 ( 0.027 -2.302 -0.421) 2.340 2.888 ( 0.027 2.302 -0.421) 2.340 2.957 ( -0.919 -4.044 0.325) 4.160 2.957 ( -0.919 4.044 0.325) 4.160 3.252 ( 1.560 -1.214 0.437) 2.025 3.252 ( 1.560 1.214 0.437) 2.025 3.327 ( -0.316 -0.488 0.041) 0.583 3.327 ( -0.316 0.488 0.041) 0.583 6.654 ( 0.790 -1.227 -1.090) 1.822 6.654 ( 0.790 1.227 -1.090) 1.822 6.702 ( -0.286 -2.306 -2.582) 3.474 6.702 ( -0.286 2.306 -2.582) 3.474 6.772 ( 0.376 -1.020 1.379) 1.756 6.772 ( 0.376 1.020 1.379) 1.756 6.831 ( -0.835 -0.921 0.543) 1.357 6.831 ( -0.835 0.921 0.543) 1.357 7.648 ( 0.207 -0.941 0.082) 0.967 7.648 ( 0.207 0.941 0.082) 0.967 7.668 ( -0.255 -0.389 0.185) 0.501 7.668 ( -0.255 0.389 0.185) 0.501 9.306 ( 0.068 -0.910 -0.988) 1.345 9.306 ( 0.068 0.910 -0.988) 1.345 9.311 ( -0.048 -0.709 -1.043) 1.261 9.311 ( -0.048 0.709 -1.043) 1.261 12.102 ( 0.500 -1.386 -1.760) 2.295 12.102 ( 0.500 1.386 -1.760) 2.295 12.258 ( -4.412 -2.896 0.632) 5.315 12.258 ( -4.412 2.896 0.632) 5.315 12.405 ( 2.008 -1.833 0.250) 2.730 12.405 ( 2.008 1.833 0.250) 2.730 12.456 ( 0.286 -0.645 2.288) 2.395 12.456 ( 0.286 0.645 2.288) 2.395 12.983 ( 0.662 -1.133 -1.646) 2.105 12.983 ( 0.662 1.133 -1.646) 2.105 13.032 ( -0.612 -0.739 0.033) 0.960 13.032 ( -0.612 0.739 0.033) 0.960 13.203 ( 0.904 -0.641 0.506) 1.218 13.203 ( 0.904 0.641 0.506) 1.218 13.243 ( -0.143 -1.113 -0.409) 1.194 13.243 ( -0.143 1.113 -0.409) 1.194 14.578 ( 0.848 -0.939 -0.561) 1.384 14.578 ( 0.848 0.939 -0.561) 1.384 14.677 ( -1.368 -0.716 -1.100) 1.896 14.677 ( -1.368 0.716 -1.100) 1.896 16.590 ( 0.402 -12.349 -13.109) 18.014 16.590 ( 0.402 12.349 -13.109) 18.014 16.722 ( -2.871 -3.766 2.250) 5.243 16.722 ( -2.871 3.766 2.250) 5.243 17.488 ( 18.192 -5.276 7.503) 20.374 17.488 ( 18.192 5.276 7.503) 20.374 19.130 ( -21.747 -15.637 5.352) 27.315 19.130 ( -21.747 15.637 5.352) 27.315 22.165 ( 7.022 -1.847 -0.341) 7.268 22.165 ( 7.022 1.847 -0.341) 7.268 22.574 ( -3.361 -3.079 -0.270) 4.566 22.574 ( -3.361 3.079 -0.270) 4.566 ======================= Grid point 69 (30/60) ======================= q-point: ( 0.40 -0.50 0.14) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.184 -4.261 4.939) 6.630 0.958 ( 1.184 4.261 4.939) 6.630 0.970 ( -0.050 -4.943 6.510) 8.175 0.970 ( -0.050 4.943 6.510) 8.175 1.161 ( 4.024 -5.762 5.323) 8.816 1.161 ( 4.024 5.762 5.323) 8.816 1.253 ( -4.392 -7.681 4.238) 9.810 1.253 ( -4.392 7.681 4.238) 9.810 1.463 ( 0.172 -1.878 -2.272) 2.953 1.463 ( 0.172 1.878 -2.272) 2.953 1.486 ( -1.759 -3.071 -1.426) 3.815 1.486 ( -1.759 3.071 -1.426) 3.815 1.799 ( 4.254 -3.552 2.381) 6.031 1.799 ( 4.254 3.552 2.381) 6.031 1.857 ( -1.348 -4.979 5.082) 7.241 1.857 ( -1.348 4.979 5.082) 7.241 2.070 ( 0.557 -5.549 -0.812) 5.636 2.070 ( 0.557 5.549 -0.812) 5.636 2.093 ( -1.644 -4.956 -0.417) 5.238 2.093 ( -1.644 4.956 -0.417) 5.238 2.234 ( 3.260 -8.516 0.923) 9.165 2.234 ( 3.260 8.516 0.923) 9.165 2.314 ( -4.325 -5.609 0.762) 7.124 2.314 ( -4.325 5.609 0.762) 7.124 2.687 ( 1.330 -0.521 -0.469) 1.504 2.687 ( 1.330 0.521 -0.469) 1.504 2.711 ( -0.985 -0.232 -0.390) 1.085 2.711 ( -0.985 0.232 -0.390) 1.085 2.901 ( 1.249 -3.296 -0.046) 3.525 2.901 ( 1.249 3.296 -0.046) 3.525 2.931 ( -1.586 -3.600 0.228) 3.941 2.931 ( -1.586 3.600 0.228) 3.941 3.287 ( 1.722 -1.296 0.059) 2.156 3.287 ( 1.722 1.296 0.059) 2.156 3.315 ( -1.004 -0.966 -0.019) 1.393 3.315 ( -1.004 0.966 -0.019) 1.393 6.674 ( 1.035 -1.974 -1.716) 2.813 6.674 ( 1.035 1.974 -1.716) 2.813 6.692 ( -0.746 -2.237 -2.286) 3.284 6.692 ( -0.746 2.237 -2.286) 3.284 6.786 ( 0.999 -0.875 1.274) 1.840 6.786 ( 0.999 0.875 1.274) 1.840 6.810 ( -1.260 -0.877 0.924) 1.792 6.810 ( -1.260 0.877 0.924) 1.792 7.654 ( 0.362 -0.835 0.106) 0.917 7.654 ( 0.362 0.835 0.106) 0.917 7.662 ( -0.392 -0.645 0.147) 0.769 7.662 ( -0.392 0.645 0.147) 0.769 9.308 ( 0.098 -0.905 -1.008) 1.358 9.308 ( 0.098 0.905 -1.008) 1.358 9.309 ( -0.085 -0.838 -1.028) 1.329 9.309 ( -0.085 0.838 -1.028) 1.329 12.123 ( 1.790 -1.843 -0.783) 2.686 12.123 ( 1.790 1.843 -0.783) 2.686 12.176 ( -3.557 -2.323 0.138) 4.251 12.176 ( -3.557 2.323 0.138) 4.251 12.437 ( 1.262 -1.195 1.078) 2.045 12.437 ( 1.262 1.195 1.078) 2.045 12.455 ( -0.460 -0.833 1.603) 1.865 12.455 ( -0.460 0.833 1.603) 1.865 12.999 ( 0.907 -1.384 -1.281) 2.092 12.999 ( 0.907 1.384 -1.281) 2.092 13.017 ( -0.881 -1.165 -0.645) 1.597 13.017 ( -0.881 1.165 -0.645) 1.597 13.223 ( 0.945 -0.580 0.075) 1.111 13.223 ( 0.945 0.580 0.075) 1.111 13.237 ( -0.502 -0.886 -0.259) 1.050 13.237 ( -0.502 0.886 -0.259) 1.050 14.603 ( 1.686 -1.243 -0.794) 2.240 14.603 ( 1.686 1.243 -0.794) 2.240 14.642 ( -2.004 -1.161 -1.016) 2.529 14.642 ( -2.004 1.161 -1.016) 2.529 16.612 ( 1.859 -6.590 -9.520) 11.727 16.612 ( 1.859 6.590 -9.520) 11.727 16.662 ( -2.948 -2.429 -4.554) 5.944 16.662 ( -2.948 2.429 -4.554) 5.944 17.968 ( 28.862 -3.041 9.567) 30.558 17.968 ( 28.862 3.041 9.567) 30.558 18.581 ( -31.160 -6.470 8.363) 32.905 18.581 ( -31.160 6.470 8.363) 32.905 22.326 ( 8.341 -3.685 -0.838) 9.157 22.326 ( 8.341 3.685 -0.838) 9.157 22.476 ( -6.395 -3.837 -0.674) 7.488 22.476 ( -6.395 3.837 -0.674) 7.488 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.000 0.000 10.724) 10.724 0.478 ( 0.000 0.000 11.555) 11.555 0.976 ( 0.000 0.000 -7.648) 7.648 1.031 ( 0.000 0.000 2.957) 2.957 1.065 ( 0.000 0.000 -9.542) 9.542 1.138 ( 0.000 0.000 18.316) 18.316 1.150 ( 0.000 0.000 6.513) 6.513 1.291 ( 0.000 0.000 -4.402) 4.402 1.366 ( 0.000 0.000 0.944) 0.944 1.459 ( 0.000 0.000 9.370) 9.370 1.505 ( 0.000 0.000 11.305) 11.305 1.536 ( 0.000 0.000 -4.926) 4.926 1.603 ( 0.000 0.000 3.865) 3.865 1.745 ( 0.000 0.000 11.263) 11.263 1.826 ( 0.000 0.000 -2.117) 2.117 1.955 ( 0.000 0.000 4.489) 4.489 2.034 ( 0.000 0.000 2.818) 2.818 2.034 ( 0.000 0.000 -0.170) 0.170 2.137 ( 0.000 0.000 -1.995) 1.995 2.199 ( 0.000 0.000 2.010) 2.010 2.310 ( 0.000 0.000 5.597) 5.597 2.355 ( 0.000 0.000 1.200) 1.200 2.448 ( 0.000 0.000 -1.222) 1.222 2.478 ( 0.000 0.000 4.952) 4.952 2.579 ( 0.000 0.000 -3.825) 3.825 2.606 ( 0.000 0.000 -3.791) 3.791 2.674 ( 0.000 0.000 1.276) 1.276 2.893 ( 0.000 0.000 1.460) 1.460 2.931 ( 0.000 0.000 -0.479) 0.479 2.939 ( 0.000 0.000 -0.792) 0.792 2.991 ( 0.000 0.000 0.228) 0.228 3.189 ( 0.000 0.000 0.716) 0.716 3.194 ( 0.000 0.000 0.622) 0.622 3.198 ( 0.000 0.000 0.194) 0.194 3.387 ( 0.000 0.000 -11.283) 11.283 3.412 ( 0.000 0.000 -4.474) 4.474 6.449 ( 0.000 0.000 4.619) 4.619 6.597 ( 0.000 0.000 0.627) 0.627 6.620 ( 0.000 0.000 1.117) 1.117 6.771 ( 0.000 0.000 -4.360) 4.360 6.848 ( 0.000 0.000 1.301) 1.301 6.945 ( 0.000 0.000 -1.690) 1.690 6.987 ( 0.000 0.000 0.672) 0.672 7.038 ( 0.000 0.000 -0.816) 0.816 7.593 ( 0.000 0.000 0.531) 0.531 7.620 ( 0.000 0.000 -0.317) 0.317 7.670 ( 0.000 0.000 1.049) 1.049 7.709 ( 0.000 0.000 -0.369) 0.369 9.318 ( 0.000 0.000 0.080) 0.080 9.328 ( 0.000 0.000 0.370) 0.370 9.369 ( 0.000 0.000 -1.619) 1.619 9.397 ( 0.000 0.000 -1.722) 1.722 11.781 ( 0.000 0.000 -0.700) 0.700 11.898 ( 0.000 0.000 -4.462) 4.462 12.058 ( 0.000 0.000 3.404) 3.404 12.183 ( 0.000 0.000 -0.581) 0.581 12.347 ( 0.000 0.000 -0.438) 0.438 12.351 ( 0.000 0.000 -0.702) 0.702 12.486 ( 0.000 0.000 -0.576) 0.576 12.587 ( 0.000 0.000 -3.991) 3.991 12.813 ( 0.000 0.000 2.206) 2.206 12.824 ( 0.000 0.000 2.502) 2.502 13.095 ( 0.000 0.000 0.360) 0.360 13.121 ( 0.000 0.000 -0.137) 0.137 13.130 ( 0.000 0.000 -0.648) 0.648 13.146 ( 0.000 0.000 -1.272) 1.272 13.235 ( 0.000 0.000 3.044) 3.044 13.345 ( 0.000 0.000 -0.984) 0.984 14.524 ( 0.000 0.000 -0.352) 0.352 14.565 ( 0.000 0.000 -1.677) 1.677 14.733 ( 0.000 0.000 3.722) 3.722 14.861 ( 0.000 0.000 0.589) 0.589 15.887 ( 0.000 0.000 12.213) 12.213 16.233 ( 0.000 0.000 0.873) 0.873 16.776 ( 0.000 0.000 4.707) 4.707 16.938 ( 0.000 0.000 0.261) 0.261 17.117 ( 0.000 0.000 -10.423) 10.423 17.411 ( 0.000 0.000 -13.090) 13.090 19.155 ( 0.000 0.000 32.039) 32.039 20.457 ( 0.000 0.000 -12.726) 12.726 22.078 ( 0.000 0.000 0.749) 0.749 22.130 ( 0.000 0.000 -0.793) 0.793 22.684 ( 0.000 0.000 2.690) 2.690 22.819 ( 0.000 0.000 -1.515) 1.515 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.20 0.00 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 9.738 0.000 8.558) 12.964 0.591 ( 10.047 0.000 8.782) 13.344 0.977 ( 0.179 0.000 -5.051) 5.054 1.039 ( 0.577 0.000 1.424) 1.536 1.083 ( -3.804 0.000 8.736) 9.528 1.098 ( 2.925 0.000 -7.543) 8.091 1.135 ( -3.345 0.000 9.583) 10.150 1.261 ( -2.328 0.000 -2.466) 3.392 1.371 ( -1.071 0.000 -0.894) 1.395 1.415 ( -7.744 0.000 0.454) 7.757 1.420 ( 2.511 0.000 15.371) 15.574 1.631 ( 0.888 0.000 -0.704) 1.133 1.655 ( 8.520 0.000 9.186) 12.529 1.748 ( 0.044 0.000 10.814) 10.814 1.797 ( -3.830 0.000 -2.413) 4.527 1.972 ( -4.001 0.000 0.980) 4.119 1.985 ( 4.326 0.000 4.222) 6.044 1.998 ( -4.114 0.000 1.113) 4.261 2.148 ( -6.473 0.000 11.907) 13.553 2.183 ( 2.733 0.000 -2.634) 3.795 2.295 ( 1.890 0.000 -2.084) 2.813 2.343 ( -0.605 0.000 1.676) 1.782 2.442 ( -0.777 0.000 -1.358) 1.565 2.460 ( -2.397 0.000 -0.313) 2.417 2.593 ( 0.065 0.000 -2.731) 2.732 2.668 ( 3.560 0.000 -1.542) 3.880 2.708 ( 4.362 0.000 1.208) 4.526 2.897 ( -1.402 0.000 -3.601) 3.865 2.899 ( 0.528 0.000 1.396) 1.493 2.931 ( -0.074 0.000 -0.138) 0.157 3.031 ( 1.579 0.000 2.696) 3.125 3.167 ( -2.084 0.000 0.524) 2.149 3.191 ( -0.250 0.000 0.543) 0.598 3.195 ( -0.243 0.000 0.220) 0.328 3.373 ( -0.501 0.000 -7.218) 7.236 3.424 ( 0.439 0.000 -6.425) 6.440 6.456 ( 0.721 0.000 4.467) 4.525 6.556 ( -2.409 0.000 2.108) 3.202 6.661 ( 2.452 0.000 -0.504) 2.504 6.764 ( -0.734 0.000 -4.066) 4.131 6.858 ( 0.984 0.000 1.433) 1.738 6.948 ( -0.131 0.000 -0.447) 0.466 6.976 ( -0.587 0.000 -0.145) 0.605 7.030 ( -0.742 0.000 -0.989) 1.236 7.595 ( 0.186 0.000 0.531) 0.563 7.616 ( -0.346 0.000 -0.044) 0.348 7.674 ( 0.441 0.000 0.723) 0.847 7.706 ( -0.314 0.000 -0.316) 0.446 9.317 ( -0.048 0.000 0.210) 0.215 9.326 ( -0.165 0.000 0.372) 0.407 9.375 ( 0.479 0.000 -1.719) 1.785 9.395 ( -0.145 0.000 -1.706) 1.712 11.790 ( 0.861 0.000 -0.816) 1.186 11.882 ( -1.442 0.000 -3.454) 3.743 12.074 ( 1.456 0.000 2.361) 2.774 12.172 ( -0.987 0.000 -0.457) 1.087 12.357 ( 1.321 0.000 -0.489) 1.409 12.390 ( 3.138 0.000 -2.368) 3.931 12.474 ( -1.079 0.000 -0.221) 1.101 12.574 ( -1.308 0.000 -4.073) 4.278 12.815 ( 0.168 0.000 2.244) 2.250 12.824 ( -0.015 0.000 2.476) 2.476 13.105 ( 0.903 0.000 0.305) 0.953 13.126 ( 0.394 0.000 -0.109) 0.408 13.132 ( 0.133 0.000 -0.701) 0.714 13.144 ( -0.147 0.000 -1.206) 1.215 13.239 ( 0.427 0.000 3.119) 3.148 13.329 ( -1.508 0.000 0.041) 1.508 14.517 ( 0.212 0.000 0.315) 0.380 14.600 ( 1.941 0.000 -1.764) 2.623 14.722 ( -0.508 0.000 2.943) 2.987 14.851 ( -1.107 0.000 0.235) 1.132 15.911 ( 2.388 0.000 11.589) 11.833 16.183 ( -4.445 0.000 2.968) 5.344 16.818 ( 4.169 0.000 5.654) 7.025 16.999 ( 5.597 0.000 -2.024) 5.951 17.132 ( 0.827 0.000 -6.630) 6.681 17.375 ( -3.595 0.000 -12.271) 12.786 19.009 ( -13.234 0.000 29.346) 32.192 19.633 ( -55.405 0.000 20.370) 59.031 22.205 ( 6.876 0.000 0.795) 6.922 22.424 ( 19.299 0.000 -9.850) 21.668 22.639 ( -4.155 0.000 3.133) 5.204 22.823 ( -0.155 0.000 -2.444) 2.449 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.40 0.00 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 10.065 0.000 7.775) 12.718 0.822 ( 12.034 0.000 4.678) 12.911 0.918 ( -7.610 0.000 6.593) 10.069 1.014 ( -5.246 0.000 0.435) 5.264 1.037 ( 1.182 0.000 -0.247) 1.208 1.077 ( -2.361 0.000 3.304) 4.060 1.152 ( 1.934 0.000 -1.301) 2.331 1.206 ( -3.795 0.000 -0.533) 3.832 1.286 ( 0.138 0.000 -0.595) 0.611 1.346 ( -3.401 0.000 -3.674) 5.007 1.540 ( 8.488 0.000 16.884) 18.897 1.654 ( 1.907 0.000 -0.985) 2.146 1.705 ( -5.827 0.000 13.368) 14.583 1.712 ( -3.899 0.000 -1.394) 4.140 1.794 ( 4.636 0.000 5.437) 7.145 1.878 ( -5.421 0.000 2.357) 5.912 1.946 ( 2.172 0.000 4.479) 4.978 2.031 ( -5.110 0.000 11.439) 12.528 2.092 ( 5.518 0.000 1.614) 5.749 2.182 ( -2.989 0.000 -1.012) 3.156 2.347 ( 2.882 0.000 -3.274) 4.362 2.363 ( 2.503 0.000 0.262) 2.516 2.405 ( -2.938 0.000 -2.247) 3.699 2.413 ( -2.129 0.000 -1.172) 2.431 2.603 ( 1.264 0.000 -3.814) 4.018 2.646 ( -2.842 0.000 -1.154) 3.067 2.840 ( 5.962 0.000 -0.448) 5.979 2.903 ( 0.074 0.000 -3.124) 3.125 2.912 ( 0.786 0.000 1.144) 1.388 2.926 ( -0.492 0.000 0.572) 0.754 3.043 ( 1.107 0.000 3.410) 3.585 3.105 ( -3.998 0.000 1.341) 4.217 3.187 ( -0.055 0.000 0.394) 0.398 3.190 ( -0.256 0.000 0.267) 0.370 3.385 ( 1.607 0.000 -5.546) 5.774 3.417 ( -1.149 0.000 -5.585) 5.702 6.477 ( 1.412 0.000 4.005) 4.246 6.511 ( -2.013 0.000 3.221) 3.798 6.707 ( 2.067 0.000 -1.986) 2.866 6.742 ( -1.447 0.000 -3.230) 3.539 6.886 ( 1.734 0.000 1.712) 2.436 6.923 ( -1.904 0.000 1.767) 2.598 6.985 ( 1.141 0.000 -1.786) 2.119 7.010 ( -1.217 0.000 -1.416) 1.867 7.600 ( 0.349 0.000 0.495) 0.606 7.608 ( -0.432 0.000 0.324) 0.541 7.685 ( 0.602 0.000 0.213) 0.638 7.697 ( -0.538 0.000 -0.137) 0.555 9.318 ( 0.132 0.000 0.330) 0.355 9.322 ( -0.219 0.000 0.361) 0.423 9.384 ( 0.426 0.000 -1.733) 1.784 9.391 ( -0.281 0.000 -1.695) 1.718 11.814 ( 1.537 0.000 -1.220) 1.962 11.848 ( -1.829 0.000 -2.065) 2.759 12.109 ( 1.909 0.000 0.894) 2.108 12.145 ( -1.686 0.000 -0.019) 1.686 12.393 ( 2.060 0.000 -0.808) 2.213 12.430 ( -1.081 0.000 -2.381) 2.615 12.475 ( 2.807 0.000 -1.854) 3.364 12.535 ( -2.633 0.000 -3.923) 4.724 12.819 ( 0.209 0.000 2.327) 2.337 12.823 ( -0.115 0.000 2.411) 2.414 13.124 ( 0.798 0.000 0.105) 0.805 13.132 ( 0.052 0.000 -0.049) 0.071 13.136 ( 0.225 0.000 -0.847) 0.877 13.140 ( -0.233 0.000 -1.041) 1.066 13.256 ( 1.366 0.000 3.019) 3.314 13.292 ( -2.066 0.000 1.924) 2.823 14.542 ( 2.252 0.000 1.011) 2.469 14.594 ( -2.328 0.000 0.732) 2.440 14.750 ( 3.125 0.000 -0.313) 3.141 14.813 ( -2.720 0.000 -0.563) 2.778 15.979 ( 4.404 0.000 9.719) 10.670 16.080 ( -5.477 0.000 6.675) 8.635 16.941 ( 8.009 0.000 7.761) 11.153 17.095 ( -5.638 0.000 3.445) 6.607 17.134 ( 7.368 0.000 -6.229) 9.648 17.274 ( -6.328 0.000 -9.894) 11.744 18.745 ( -8.243 0.000 27.245) 28.465 18.853 ( -20.399 0.000 27.125) 33.940 22.367 ( 8.669 0.000 2.951) 9.158 22.527 ( -7.002 0.000 3.462) 7.811 22.688 ( 8.257 0.000 -7.600) 11.222 22.794 ( -3.039 0.000 -4.487) 5.419 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.12 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.000 5.518 11.394) 12.660 0.536 ( 0.000 10.477 7.789) 13.055 0.991 ( 0.000 0.239 -2.549) 2.561 1.036 ( 0.000 -2.171 0.216) 2.182 1.048 ( 0.000 1.893 0.151) 1.899 1.188 ( 0.000 2.481 -1.247) 2.777 1.230 ( 0.000 7.979 10.104) 12.874 1.287 ( 0.000 0.581 -3.705) 3.750 1.379 ( 0.000 1.417 0.038) 1.417 1.462 ( 0.000 -3.715 -2.454) 4.453 1.465 ( 0.000 -0.130 9.069) 9.070 1.608 ( 0.000 2.554 11.071) 11.362 1.619 ( 0.000 6.907 7.273) 10.030 1.764 ( 0.000 0.975 9.201) 9.252 1.807 ( 0.000 -2.921 1.459) 3.265 1.857 ( 0.000 -4.560 2.954) 5.433 2.005 ( 0.000 -1.824 0.128) 1.829 2.111 ( 0.000 -2.114 -2.267) 3.100 2.112 ( 0.000 3.847 2.666) 4.681 2.228 ( 0.000 2.263 0.397) 2.297 2.291 ( 0.000 -2.234 1.335) 2.603 2.387 ( 0.000 3.476 1.860) 3.942 2.409 ( 0.000 -3.039 -0.348) 3.059 2.474 ( 0.000 -0.978 4.303) 4.413 2.580 ( 0.000 0.040 -1.830) 1.830 2.602 ( 0.000 -0.415 -1.635) 1.687 2.673 ( 0.000 0.260 -0.593) 0.648 2.876 ( 0.000 -2.073 -1.906) 2.816 2.891 ( 0.000 -1.518 0.110) 1.522 2.981 ( 0.000 -1.891 3.181) 3.701 3.005 ( 0.000 2.719 0.539) 2.772 3.115 ( 0.000 -3.326 -3.597) 4.900 3.213 ( 0.000 1.686 0.284) 1.710 3.234 ( 0.000 1.293 0.908) 1.580 3.343 ( 0.000 -2.446 -5.401) 5.929 3.357 ( 0.000 -4.532 -3.625) 5.803 6.497 ( 0.000 3.654 1.201) 3.847 6.602 ( 0.000 0.438 0.489) 0.657 6.627 ( 0.000 0.564 0.676) 0.881 6.769 ( 0.000 -0.304 -4.320) 4.331 6.841 ( 0.000 -0.589 1.162) 1.303 6.924 ( 0.000 -1.932 -1.430) 2.404 6.943 ( 0.000 -3.601 1.273) 3.819 7.005 ( 0.000 -2.929 -0.602) 2.991 7.600 ( 0.000 0.664 0.498) 0.829 7.626 ( 0.000 0.524 -0.297) 0.603 7.671 ( 0.000 0.098 0.923) 0.929 7.705 ( 0.000 -0.386 -0.273) 0.473 9.299 ( 0.000 -1.409 0.146) 1.416 9.321 ( 0.000 -0.580 0.144) 0.597 9.352 ( 0.000 -1.431 -1.724) 2.240 9.384 ( 0.000 -1.186 -1.667) 2.046 11.825 ( 0.000 4.042 -0.423) 4.064 11.984 ( 0.000 5.564 -4.658) 7.256 12.077 ( 0.000 1.893 2.895) 3.459 12.204 ( 0.000 2.164 -1.764) 2.792 12.342 ( 0.000 -0.170 -0.805) 0.823 12.347 ( 0.000 -0.275 -0.612) 0.671 12.492 ( 0.000 0.576 0.652) 0.870 12.556 ( 0.000 -2.343 -2.064) 3.122 12.862 ( 0.000 3.560 0.424) 3.585 12.878 ( 0.000 3.642 -0.383) 3.662 13.102 ( 0.000 0.701 0.432) 0.824 13.118 ( 0.000 -0.333 -0.111) 0.351 13.125 ( 0.000 -0.442 -0.570) 0.721 13.151 ( 0.000 0.549 -1.370) 1.476 13.236 ( 0.000 0.060 2.752) 2.753 13.331 ( 0.000 -1.324 -0.629) 1.466 14.530 ( 0.000 0.508 -0.318) 0.599 14.565 ( 0.000 -0.006 -1.463) 1.463 14.710 ( 0.000 -1.768 3.057) 3.531 14.820 ( 0.000 -3.471 0.144) 3.474 15.962 ( 0.000 4.399 4.810) 6.519 16.377 ( 0.000 12.583 -0.281) 12.586 16.826 ( 0.000 4.999 3.591) 6.155 17.026 ( 0.000 -6.577 -11.266) 13.045 17.034 ( 0.000 7.468 1.750) 7.670 17.507 ( 0.000 5.917 -11.339) 12.790 19.057 ( 0.000 -7.855 31.544) 32.508 20.296 ( 0.000 -13.290 -9.414) 16.287 22.078 ( 0.000 0.062 0.737) 0.740 22.124 ( 0.000 -0.507 -0.582) 0.772 22.663 ( 0.000 -1.809 2.371) 2.982 22.793 ( 0.000 -2.397 -1.677) 2.925 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.20 0.12 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 6.934 4.497 8.716) 12.011 0.627 ( 7.960 6.960 8.436) 13.527 0.961 ( -2.399 -1.180 -1.765) 3.204 1.029 ( -1.180 -2.218 3.823) 4.575 1.054 ( 0.185 1.273 1.018) 1.640 1.164 ( -0.204 3.360 1.139) 3.553 1.196 ( -3.782 4.523 -1.540) 6.094 1.283 ( -0.905 1.587 -4.025) 4.420 1.358 ( -0.216 0.695 4.622) 4.679 1.390 ( -4.295 0.783 1.186) 4.524 1.534 ( -2.012 4.449 10.339) 11.434 1.584 ( 5.535 -1.045 3.527) 6.646 1.687 ( 2.351 1.972 3.771) 4.862 1.746 ( -1.770 -0.797 7.122) 7.382 1.779 ( -0.451 -0.109 5.735) 5.754 1.904 ( 3.446 -3.649 1.932) 5.377 1.982 ( -1.414 0.657 1.160) 1.943 2.072 ( -2.715 2.604 2.383) 4.453 2.159 ( 0.107 -0.004 -0.273) 0.293 2.174 ( -4.331 0.454 8.011) 9.118 2.303 ( 2.437 -0.586 -0.723) 2.609 2.352 ( -0.403 2.034 0.158) 2.079 2.413 ( -0.353 -1.838 -2.127) 2.833 2.472 ( -1.009 -0.103 1.218) 1.585 2.598 ( 0.237 0.314 -2.221) 2.256 2.659 ( 4.937 -1.489 -2.267) 5.633 2.681 ( 0.739 -1.414 1.349) 2.090 2.857 ( -0.873 -1.039 -2.208) 2.592 2.890 ( -0.201 -3.053 -0.126) 3.062 2.975 ( -2.727 0.761 -0.815) 2.946 2.996 ( 1.565 -1.630 3.605) 4.255 3.120 ( -0.068 -1.622 -1.262) 2.057 3.206 ( -0.475 1.246 0.606) 1.465 3.230 ( -0.466 1.643 0.834) 1.900 3.345 ( 0.386 -1.984 -4.666) 5.085 3.369 ( 0.774 -3.968 -4.217) 5.842 6.499 ( 0.265 3.369 1.652) 3.762 6.569 ( -1.966 1.123 1.522) 2.728 6.663 ( 2.265 0.105 -0.588) 2.342 6.762 ( -0.715 -0.269 -4.020) 4.092 6.848 ( 0.683 -0.863 1.289) 1.694 6.924 ( -0.664 -2.385 0.634) 2.555 6.939 ( 0.216 -2.949 -0.608) 3.019 6.998 ( -0.709 -2.895 -0.748) 3.073 7.602 ( 0.164 0.644 0.489) 0.825 7.622 ( -0.341 0.521 -0.054) 0.625 7.675 ( 0.409 0.065 0.637) 0.760 7.702 ( -0.260 -0.334 -0.230) 0.482 9.300 ( 0.152 -1.307 0.147) 1.324 9.317 ( -0.302 -0.732 0.131) 0.802 9.359 ( 0.502 -1.380 -1.723) 2.264 9.382 ( -0.176 -1.201 -1.664) 2.060 11.835 ( 1.001 4.122 -0.566) 4.280 11.957 ( -2.235 5.458 -3.256) 6.736 12.089 ( 1.025 1.358 1.655) 2.374 12.182 ( -1.755 1.046 -1.167) 2.353 12.359 ( 1.609 -0.028 -0.658) 1.739 12.384 ( 3.017 0.088 -1.428) 3.339 12.482 ( -0.955 0.674 0.586) 1.308 12.545 ( -1.104 -2.118 -2.000) 3.115 12.864 ( 0.196 3.508 0.346) 3.530 12.877 ( -0.062 3.623 -0.335) 3.639 13.109 ( 0.546 0.138 0.106) 0.573 13.123 ( 0.432 -0.165 -0.099) 0.473 13.126 ( 0.190 -0.355 -0.540) 0.673 13.151 ( -0.038 0.683 -1.203) 1.384 13.239 ( 0.394 0.042 2.785) 2.813 13.318 ( -1.240 -1.069 0.107) 1.641 14.522 ( 0.048 0.501 0.336) 0.606 14.594 ( 1.715 -0.386 -1.458) 2.284 14.695 ( -0.924 -2.031 2.817) 3.594 14.807 ( -1.326 -3.606 -0.026) 3.842 15.992 ( 3.050 4.872 3.886) 6.939 16.315 ( -5.310 10.475 -0.612) 11.760 16.896 ( 6.552 6.505 4.004) 10.064 17.042 ( 2.878 1.915 -1.111) 3.631 17.124 ( 6.588 2.413 -6.948) 9.874 17.465 ( -4.141 6.527 -9.155) 11.982 18.930 ( -11.411 -6.322 28.771) 31.590 19.614 ( -49.987 -1.863 14.161) 51.988 22.192 ( 6.355 -1.123 0.735) 6.495 22.360 ( 17.725 -5.162 -6.887) 19.704 22.618 ( -4.244 -1.839 2.657) 5.334 22.791 ( -0.687 -2.914 -2.460) 3.874 ======================= Grid point 97 (36/60) ======================= q-point: ( 0.40 0.12 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 6.031 0.477 7.166) 9.379 0.786 ( 5.322 -0.060 10.191) 11.497 0.917 ( -0.834 -1.102 0.114) 1.387 0.980 ( -4.074 0.769 5.372) 6.785 1.053 ( 1.311 0.436 0.268) 1.407 1.122 ( -4.063 2.529 -1.195) 4.933 1.192 ( 2.277 2.958 -1.790) 4.140 1.245 ( -3.004 2.405 0.176) 3.852 1.317 ( 0.062 3.433 -1.350) 3.689 1.350 ( -1.868 1.710 -2.452) 3.525 1.550 ( 3.034 -0.979 5.048) 5.971 1.624 ( -3.569 -3.190 -0.393) 4.803 1.687 ( 3.641 3.141 8.450) 9.722 1.761 ( -2.460 2.433 8.640) 9.307 1.814 ( 5.248 2.042 6.703) 8.755 1.914 ( -3.777 1.720 1.537) 4.426 1.971 ( -0.255 1.346 1.956) 2.388 2.001 ( -1.843 -1.392 7.936) 8.265 2.108 ( 0.750 1.092 7.367) 7.485 2.153 ( -2.292 -1.837 1.464) 3.282 2.356 ( 2.243 0.101 -1.571) 2.740 2.373 ( 1.152 0.722 -0.863) 1.611 2.408 ( 0.448 0.658 -2.492) 2.616 2.442 ( -1.944 1.257 -0.491) 2.366 2.603 ( 0.659 0.027 -3.454) 3.516 2.636 ( -2.561 -0.918 -1.368) 3.046 2.791 ( 5.876 -4.785 -0.521) 7.596 2.864 ( 0.552 -1.851 -1.881) 2.696 2.883 ( -0.661 -3.123 0.152) 3.196 2.904 ( -3.646 -3.126 -0.100) 4.804 3.041 ( 2.695 0.565 2.536) 3.743 3.095 ( -2.366 -0.192 1.324) 2.718 3.204 ( 0.367 1.437 0.430) 1.544 3.217 ( -0.758 1.903 0.617) 2.139 3.360 ( 1.019 -1.930 -4.200) 4.733 3.375 ( -0.283 -2.988 -4.046) 5.038 6.510 ( 0.862 2.691 2.240) 3.606 6.534 ( -1.522 1.902 2.195) 3.279 6.706 ( 2.007 -0.105 -1.956) 2.804 6.741 ( -1.421 -0.196 -3.177) 3.486 6.868 ( 1.303 -1.530 1.566) 2.548 6.898 ( -1.572 -2.268 1.733) 3.259 6.955 ( 1.144 -2.621 -1.433) 3.198 6.979 ( -1.152 -2.783 -1.104) 3.208 7.607 ( 0.314 0.594 0.436) 0.801 7.614 ( -0.405 0.543 0.271) 0.730 7.685 ( 0.528 -0.046 0.205) 0.568 7.695 ( -0.454 -0.202 -0.084) 0.504 9.305 ( 0.271 -1.119 0.145) 1.161 9.311 ( -0.322 -0.940 0.139) 1.003 9.369 ( 0.483 -1.316 -1.705) 2.208 9.377 ( -0.337 -1.247 -1.671) 2.112 11.864 ( 1.893 4.430 -0.995) 4.920 11.908 ( -2.478 4.979 -1.809) 5.848 12.114 ( 1.438 0.464 0.371) 1.556 12.146 ( -1.758 0.195 -0.473) 1.831 12.399 ( 2.185 0.400 -0.485) 2.273 12.431 ( 0.058 0.211 -1.341) 1.359 12.469 ( 1.141 0.029 -0.396) 1.208 12.512 ( -2.120 -1.398 -1.775) 3.098 12.869 ( 0.305 3.469 0.132) 3.485 12.874 ( -0.230 3.540 -0.142) 3.550 13.118 ( 0.392 -0.726 -0.379) 0.908 13.124 ( -0.157 -0.824 -0.568) 1.013 13.139 ( 0.732 0.723 -0.314) 1.075 13.149 ( -0.212 0.841 -0.792) 1.175 13.255 ( 1.209 -0.109 2.623) 2.890 13.286 ( -1.775 -0.532 1.609) 2.454 14.542 ( 1.955 0.120 1.141) 2.266 14.589 ( -2.193 -0.308 0.849) 2.371 14.711 ( 2.557 -2.994 0.325) 3.951 14.767 ( -2.633 -3.611 -0.270) 4.477 16.078 ( 5.333 6.131 1.694) 8.301 16.195 ( -6.257 7.938 -0.212) 10.110 17.061 ( 8.488 4.801 1.783) 9.913 17.116 ( 3.170 5.957 1.356) 6.883 17.232 ( 3.678 6.071 -5.763) 9.144 17.351 ( -7.177 12.137 -1.305) 14.160 18.704 ( -7.203 -3.562 25.409) 26.650 18.830 ( -23.036 -1.348 25.630) 34.487 22.346 ( 8.368 -1.901 2.581) 8.961 22.502 ( -6.966 -2.249 3.197) 7.988 22.626 ( 9.026 -5.245 -6.817) 12.468 22.749 ( -3.796 -4.038 -4.306) 7.018 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.25 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 11.428 9.131) 14.628 0.795 ( 0.000 13.748 4.399) 14.435 0.955 ( 0.000 -3.514 1.449) 3.801 1.007 ( 0.000 0.168 4.714) 4.717 1.116 ( 0.000 4.758 -1.261) 4.922 1.206 ( 0.000 -0.891 0.222) 0.918 1.304 ( 0.000 -1.942 -4.352) 4.766 1.367 ( 0.000 4.490 -4.799) 6.572 1.402 ( 0.000 0.694 -2.413) 2.511 1.449 ( 0.000 1.622 -0.155) 1.629 1.485 ( 0.000 5.510 14.561) 15.569 1.717 ( 0.000 -3.522 3.875) 5.236 1.722 ( 0.000 7.937 16.186) 18.027 1.757 ( 0.000 -1.661 5.533) 5.776 1.767 ( 0.000 2.408 2.516) 3.482 1.807 ( 0.000 2.200 6.605) 6.962 1.990 ( 0.000 -0.353 1.273) 1.321 2.072 ( 0.000 -0.583 -1.437) 1.551 2.170 ( 0.000 1.805 1.570) 2.392 2.236 ( 0.000 -2.993 -2.593) 3.960 2.244 ( 0.000 -2.150 -3.179) 3.838 2.350 ( 0.000 -2.109 3.721) 4.277 2.447 ( 0.000 -0.998 5.063) 5.160 2.456 ( 0.000 2.545 1.567) 2.989 2.584 ( 0.000 0.367 -0.284) 0.464 2.599 ( 0.000 0.529 -2.768) 2.818 2.684 ( 0.000 0.500 -1.349) 1.439 2.827 ( 0.000 -3.808 -0.310) 3.820 2.847 ( 0.000 -0.864 -2.604) 2.743 2.888 ( 0.000 -5.238 1.811) 5.543 3.025 ( 0.000 -1.083 0.634) 1.255 3.094 ( 0.000 -0.331 -3.493) 3.508 3.236 ( 0.000 -0.600 -1.415) 1.537 3.264 ( 0.000 1.606 0.256) 1.626 3.290 ( 0.000 0.050 -0.029) 0.058 3.311 ( 0.000 -1.011 -0.509) 1.132 6.566 ( 0.000 2.819 -1.475) 3.181 6.613 ( 0.000 0.576 0.081) 0.581 6.636 ( 0.000 0.186 -0.062) 0.196 6.751 ( 0.000 -1.688 -4.252) 4.574 6.827 ( 0.000 -0.854 0.887) 1.231 6.869 ( 0.000 -3.112 1.577) 3.489 6.874 ( 0.000 -2.709 -0.623) 2.780 6.935 ( 0.000 -3.372 -0.067) 3.373 7.617 ( 0.000 0.827 0.466) 0.950 7.640 ( 0.000 0.745 -0.257) 0.788 7.673 ( 0.000 0.158 0.604) 0.624 7.693 ( 0.000 -0.699 -0.019) 0.699 9.276 ( 0.000 -0.659 -0.439) 0.791 9.306 ( 0.000 -0.746 -0.238) 0.783 9.320 ( 0.000 -1.544 -1.798) 2.370 9.352 ( 0.000 -1.796 -1.505) 2.344 11.928 ( 0.000 5.409 -0.089) 5.410 12.060 ( 0.000 1.906 -2.223) 2.928 12.136 ( 0.000 3.959 1.802) 4.350 12.261 ( 0.000 2.519 -1.825) 3.111 12.345 ( 0.000 0.106 -0.570) 0.580 12.357 ( 0.000 2.025 -1.976) 2.829 12.506 ( 0.000 0.677 2.177) 2.280 12.511 ( 0.000 -1.774 0.372) 1.813 12.920 ( 0.000 1.796 -1.257) 2.192 12.925 ( 0.000 0.850 -1.799) 1.990 13.100 ( 0.000 -1.223 -0.642) 1.382 13.102 ( 0.000 -1.379 0.089) 1.382 13.139 ( 0.000 2.032 0.633) 2.128 13.170 ( 0.000 1.219 -1.283) 1.770 13.236 ( 0.000 -0.069 2.016) 2.017 13.297 ( 0.000 -1.745 -0.210) 1.758 14.541 ( 0.000 0.468 -0.084) 0.476 14.566 ( 0.000 0.094 -1.023) 1.028 14.681 ( 0.000 -0.791 0.979) 1.258 14.743 ( 0.000 -3.549 -0.679) 3.613 16.012 ( 0.000 1.384 -3.061) 3.359 16.617 ( 0.000 5.007 -11.728) 12.752 16.909 ( 0.000 1.280 8.079) 8.180 16.939 ( 0.000 2.027 -1.572) 2.565 17.210 ( 0.000 9.417 0.989) 9.469 17.519 ( 0.000 -6.643 -5.923) 8.900 18.960 ( 0.000 1.475 25.617) 25.659 20.002 ( 0.000 -14.351 -7.231) 16.070 22.081 ( 0.000 0.152 0.676) 0.693 22.112 ( 0.000 -0.589 -0.311) 0.666 22.622 ( 0.000 -1.936 1.791) 2.638 22.729 ( 0.000 -3.605 -1.762) 4.012 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.20 0.25 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 2.383 8.452 9.257) 12.759 0.847 ( 3.131 11.964 4.628) 13.204 0.927 ( -1.607 -1.307 1.193) 2.391 1.010 ( 0.580 0.731 4.936) 5.023 1.120 ( -0.093 5.131 -0.501) 5.157 1.200 ( -0.816 0.346 1.979) 2.169 1.269 ( -3.762 -1.164 -2.251) 4.536 1.290 ( -2.392 2.092 -4.751) 5.716 1.425 ( -0.117 3.938 -0.552) 3.979 1.440 ( -1.019 3.104 -0.982) 3.411 1.510 ( 0.164 -0.328 4.883) 4.896 1.656 ( -3.040 -0.535 3.393) 4.587 1.707 ( -0.198 2.690 9.052) 9.446 1.785 ( 2.152 3.134 8.839) 9.622 1.803 ( 3.083 2.975 5.212) 6.747 1.851 ( 2.778 -0.041 4.725) 5.481 1.996 ( 0.325 0.793 1.971) 2.149 2.088 ( 0.579 -0.604 2.730) 2.856 2.144 ( -2.502 -1.121 -2.204) 3.518 2.206 ( -3.954 1.653 4.204) 6.004 2.261 ( 2.730 -3.570 -1.470) 4.728 2.343 ( -0.719 -2.839 3.348) 4.448 2.412 ( -0.557 0.431 0.342) 0.783 2.473 ( -0.024 1.013 2.435) 2.637 2.598 ( 0.487 -0.025 -1.088) 1.192 2.625 ( 2.830 -0.760 -2.394) 3.784 2.669 ( -1.524 -0.128 -1.007) 1.831 2.818 ( -0.578 -3.723 -0.230) 3.775 2.838 ( -0.959 -1.191 -1.955) 2.482 2.887 ( -0.173 -3.165 0.108) 3.172 3.028 ( 0.457 -0.476 0.264) 0.711 3.095 ( -0.320 -1.418 -1.801) 2.315 3.228 ( -0.316 0.502 -0.009) 0.593 3.267 ( -0.054 1.979 0.568) 2.059 3.296 ( 0.993 -1.182 -1.166) 1.934 3.327 ( 0.923 -0.850 -1.317) 1.819 6.565 ( -0.069 2.756 -0.962) 2.920 6.594 ( -1.116 1.180 0.352) 1.662 6.662 ( 1.830 -0.273 -0.801) 2.016 6.746 ( -0.519 -1.503 -3.923) 4.233 6.828 ( 0.139 -1.062 1.002) 1.467 6.861 ( -0.655 -2.865 1.609) 3.351 6.879 ( 0.493 -2.864 -0.653) 2.978 6.929 ( -0.632 -3.359 -0.154) 3.421 7.618 ( 0.135 0.826 0.439) 0.945 7.636 ( -0.325 0.781 -0.073) 0.849 7.676 ( 0.263 0.030 0.419) 0.496 7.692 ( -0.136 -0.636 -0.011) 0.650 9.278 ( 0.179 -0.694 -0.432) 0.837 9.300 ( -0.469 -0.847 -0.447) 1.066 9.327 ( 0.542 -1.493 -1.570) 2.233 9.351 ( -0.164 -1.767 -1.511) 2.331 11.939 ( 1.070 5.376 -0.124) 5.483 12.052 ( -0.974 3.281 -1.674) 3.810 12.124 ( -0.755 2.285 1.024) 2.615 12.218 ( -3.225 2.217 -1.926) 4.362 12.354 ( 1.824 -0.143 -0.364) 1.866 12.410 ( 3.135 2.215 -0.749) 3.911 12.489 ( -1.247 -0.531 0.717) 1.533 12.515 ( -0.056 -0.152 1.263) 1.273 12.918 ( -0.097 1.325 -1.199) 1.790 12.926 ( 0.021 1.243 -1.736) 2.135 13.094 ( -0.259 -1.509 -0.384) 1.578 13.103 ( -0.212 -1.559 -0.532) 1.661 13.149 ( 0.871 1.951 0.322) 2.161 13.173 ( 0.219 1.379 -1.112) 1.784 13.239 ( 0.332 -0.098 1.980) 2.010 13.290 ( -0.697 -1.471 0.089) 1.631 14.537 ( 0.083 0.868 0.261) 0.910 14.586 ( 1.415 -0.481 -1.073) 1.840 14.661 ( -1.663 -1.013 1.253) 2.316 14.730 ( -1.287 -3.433 -0.750) 3.743 16.052 ( 3.918 1.806 -3.633) 5.640 16.478 ( -9.191 3.382 -7.727) 12.474 16.939 ( 0.968 -3.805 -3.906) 5.538 17.125 ( 12.724 2.800 -1.489) 13.113 17.229 ( 3.583 8.396 4.265) 10.076 17.575 ( 6.761 4.363 -0.612) 8.070 18.853 ( -9.993 1.240 23.847) 25.886 19.552 ( -37.635 -4.315 4.121) 38.105 22.165 ( 5.506 -1.253 0.626) 5.681 22.258 ( 13.005 -4.219 -3.273) 14.059 22.576 ( -4.236 -1.906 1.881) 5.011 22.714 ( -1.788 -4.247 -2.331) 5.164 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.40 0.25 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 2.501 4.814 7.798) 9.500 0.832 ( -2.388 3.234 5.520) 6.829 0.968 ( 3.622 6.363 3.256) 8.013 1.023 ( -0.799 2.865 5.677) 6.409 1.096 ( 0.069 4.698 -0.078) 4.699 1.154 ( -3.758 1.898 0.363) 4.226 1.243 ( 0.913 0.940 -0.942) 1.614 1.265 ( -0.835 -0.599 -1.205) 1.584 1.407 ( -0.390 3.894 -1.450) 4.174 1.421 ( -1.148 4.221 -2.511) 5.044 1.513 ( 1.864 -1.532 -1.596) 2.893 1.579 ( -4.073 -1.129 -2.023) 4.686 1.752 ( 2.878 1.434 7.966) 8.590 1.798 ( -1.274 1.717 6.179) 6.538 1.895 ( 5.154 0.846 1.642) 5.474 1.912 ( 4.430 4.762 7.940) 10.264 1.976 ( -2.740 -0.381 1.232) 3.028 2.042 ( -5.652 4.177 7.292) 10.128 2.120 ( -0.090 -0.790 8.909) 8.945 2.131 ( -1.537 0.418 3.169) 3.547 2.312 ( 1.750 -5.529 -1.826) 6.080 2.333 ( -0.451 -4.444 1.184) 4.621 2.428 ( 1.598 0.465 0.462) 1.727 2.459 ( -1.277 0.640 1.387) 1.991 2.606 ( 0.589 0.627 -1.970) 2.149 2.629 ( -1.759 0.729 -2.482) 3.128 2.699 ( 4.018 -2.947 -0.978) 5.078 2.776 ( -3.387 -4.435 -0.885) 5.651 2.845 ( 1.309 -0.833 -1.258) 1.997 2.873 ( -1.232 -0.402 -1.195) 1.763 3.046 ( 1.311 -1.143 0.430) 1.792 3.075 ( -1.449 -2.110 0.185) 2.566 3.236 ( 1.021 1.527 0.528) 1.912 3.257 ( -0.857 1.952 0.689) 2.241 3.321 ( 1.197 -1.280 -1.853) 2.550 3.335 ( -0.150 -1.060 -1.899) 2.180 6.566 ( 0.234 2.482 -0.116) 2.495 6.576 ( -0.715 1.927 0.326) 2.081 6.699 ( 1.765 -0.716 -1.897) 2.688 6.729 ( -1.194 -1.109 -3.037) 3.446 6.833 ( 0.461 -1.611 1.263) 2.098 6.846 ( -0.780 -2.300 1.526) 2.868 6.893 ( 0.879 -3.120 -0.593) 3.295 6.912 ( -0.969 -3.294 -0.375) 3.454 7.622 ( 0.274 0.823 0.353) 0.937 7.629 ( -0.375 0.816 0.187) 0.917 7.682 ( 0.312 -0.224 0.169) 0.420 7.688 ( -0.250 -0.465 0.035) 0.529 9.283 ( 0.317 -0.772 -0.425) 0.936 9.291 ( -0.414 -0.836 -0.440) 1.031 9.338 ( 0.475 -1.587 -1.537) 2.260 9.346 ( -0.325 -1.691 -1.524) 2.300 11.971 ( 2.088 5.334 -0.225) 5.733 12.017 ( -2.359 5.098 -0.556) 5.645 12.125 ( 0.916 0.523 -0.510) 1.172 12.159 ( -2.455 1.067 -1.370) 3.007 12.400 ( 2.524 -0.021 0.312) 2.543 12.443 ( -1.208 0.487 1.182) 1.759 12.478 ( 1.329 0.869 -0.626) 1.707 12.505 ( -0.976 0.727 0.767) 1.438 12.919 ( 0.184 1.172 -1.230) 1.709 12.924 ( -0.247 1.254 -1.503) 1.973 13.092 ( 0.102 -1.847 -0.642) 1.958 13.097 ( -0.312 -1.842 -0.745) 2.011 13.166 ( 0.737 1.721 -0.367) 1.908 13.175 ( -0.111 1.561 -0.818) 1.766 13.251 ( 0.860 -0.284 1.669) 1.899 13.271 ( -1.098 -0.829 0.868) 1.627 14.552 ( 1.441 0.786 0.821) 1.835 14.588 ( -1.701 0.221 0.446) 1.772 14.653 ( 1.540 -2.383 -0.064) 2.838 14.695 ( -2.179 -3.111 -0.735) 3.869 16.160 ( 6.636 2.623 -4.963) 8.692 16.307 ( -8.028 3.015 -6.367) 10.680 16.991 ( 4.333 -8.021 -6.544) 11.222 17.101 ( -6.023 -9.669 -9.669) 14.942 17.566 ( 19.598 22.594 8.983) 31.229 17.736 ( 4.735 20.420 3.877) 21.318 18.641 ( -7.346 -1.456 21.475) 22.744 18.822 ( -28.409 0.397 17.817) 33.537 22.303 ( 7.736 -1.888 1.635) 8.129 22.443 ( -3.464 -3.314 0.880) 4.874 22.512 ( 6.166 -5.085 -3.567) 8.752 22.647 ( -5.157 -5.498 -3.656) 8.378 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.38 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 -0.399 3.928) 3.948 0.953 ( 0.000 10.620 7.417) 12.953 1.008 ( 0.000 3.426 3.641) 4.999 1.086 ( 0.000 4.616 2.811) 5.404 1.164 ( 0.000 2.937 2.631) 3.943 1.212 ( 0.000 2.995 -2.200) 3.716 1.241 ( 0.000 -2.894 2.361) 3.735 1.420 ( 0.000 0.010 3.849) 3.849 1.458 ( 0.000 2.867 -3.991) 4.914 1.475 ( 0.000 1.970 -4.237) 4.672 1.564 ( 0.000 0.401 6.985) 6.996 1.673 ( 0.000 -1.983 6.208) 6.517 1.699 ( 0.000 -3.533 2.716) 4.456 1.719 ( 0.000 -1.351 2.850) 3.154 1.907 ( 0.000 7.595 14.151) 16.060 1.946 ( 0.000 6.703 0.737) 6.743 1.983 ( 0.000 2.660 2.920) 3.950 2.099 ( 0.000 1.274 -0.669) 1.439 2.127 ( 0.000 -5.930 -0.935) 6.003 2.183 ( 0.000 -1.116 -2.135) 2.409 2.211 ( 0.000 -0.455 3.813) 3.840 2.290 ( 0.000 -3.861 5.114) 6.408 2.438 ( 0.000 -0.276 3.270) 3.282 2.477 ( 0.000 -0.593 2.533) 2.602 2.597 ( 0.000 1.144 -0.975) 1.503 2.631 ( 0.000 2.094 -3.466) 4.049 2.684 ( 0.000 -0.620 -1.937) 2.034 2.745 ( 0.000 -3.722 -0.345) 3.738 2.841 ( 0.000 0.539 -1.468) 1.563 2.845 ( 0.000 1.051 -2.616) 2.819 2.978 ( 0.000 -2.509 0.610) 2.582 3.055 ( 0.000 -3.546 -1.639) 3.906 3.230 ( 0.000 0.473 0.058) 0.477 3.271 ( 0.000 -0.999 0.341) 1.055 3.315 ( 0.000 1.307 0.418) 1.372 3.318 ( 0.000 1.398 0.286) 1.427 6.611 ( 0.000 1.699 -2.515) 3.035 6.623 ( 0.000 0.390 -0.500) 0.634 6.635 ( 0.000 -0.172 -0.541) 0.568 6.702 ( 0.000 -2.807 -3.749) 4.683 6.801 ( 0.000 -1.282 1.297) 1.824 6.821 ( 0.000 -2.235 0.323) 2.258 6.838 ( 0.000 -0.014 0.956) 0.956 6.881 ( 0.000 -1.907 0.420) 1.953 7.633 ( 0.000 0.759 0.387) 0.852 7.652 ( 0.000 0.336 -0.250) 0.419 7.676 ( 0.000 0.066 0.298) 0.305 7.679 ( 0.000 -0.572 0.294) 0.643 9.272 ( 0.000 0.221 -0.881) 0.908 9.293 ( 0.000 -0.512 -0.725) 0.887 9.295 ( 0.000 -0.816 -1.590) 1.787 9.315 ( 0.000 -1.694 -1.322) 2.149 12.022 ( 0.000 3.349 -0.404) 3.373 12.078 ( 0.000 0.073 -1.332) 1.334 12.240 ( 0.000 5.746 0.757) 5.796 12.294 ( 0.000 1.098 -1.689) 2.014 12.348 ( 0.000 0.098 -0.770) 0.777 12.406 ( 0.000 1.460 -0.526) 1.552 12.492 ( 0.000 0.055 2.389) 2.389 12.512 ( 0.000 -0.194 2.541) 2.548 12.932 ( 0.000 0.340 -1.829) 1.860 12.939 ( 0.000 0.318 -1.792) 1.820 13.062 ( 0.000 -2.172 0.074) 2.173 13.067 ( 0.000 -1.859 -0.706) 1.989 13.184 ( 0.000 2.061 0.726) 2.185 13.194 ( 0.000 1.043 -0.404) 1.119 13.232 ( 0.000 -0.258 0.918) 0.953 13.264 ( 0.000 -1.490 -0.150) 1.497 14.550 ( 0.000 0.485 -0.124) 0.500 14.567 ( 0.000 -0.065 -0.656) 0.659 14.673 ( 0.000 -0.279 -0.536) 0.604 14.687 ( 0.000 -1.827 -1.189) 2.180 16.076 ( 0.000 6.007 -9.826) 11.516 16.519 ( 0.000 -10.473 -19.906) 22.493 16.894 ( 0.000 -1.141 10.390) 10.453 17.045 ( 0.000 -1.059 4.187) 4.319 17.345 ( 0.000 -2.764 6.159) 6.751 17.373 ( 0.000 5.269 2.964) 6.045 19.128 ( 0.000 12.976 12.877) 18.282 19.715 ( 0.000 -13.886 -4.288) 14.533 22.085 ( 0.000 0.262 0.515) 0.578 22.101 ( 0.000 -0.510 -0.042) 0.512 22.595 ( 0.000 -0.509 1.004) 1.126 22.656 ( 0.000 -3.230 -1.223) 3.454 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.20 0.38 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.513 1.197 3.464) 3.701 0.936 ( -0.475 10.239 7.351) 12.614 1.053 ( 2.460 2.534 4.802) 5.961 1.101 ( 1.794 6.091 1.185) 6.460 1.156 ( 0.177 0.238 2.921) 2.936 1.218 ( -0.447 -0.066 0.727) 0.857 1.238 ( -0.072 2.692 1.232) 2.962 1.357 ( -4.582 3.302 -1.349) 5.806 1.452 ( -0.988 -0.592 -0.936) 1.484 1.479 ( 0.375 0.765 -2.428) 2.573 1.529 ( -3.244 -0.304 4.462) 5.525 1.625 ( -3.458 -2.836 2.177) 4.974 1.722 ( 2.596 1.260 5.362) 6.089 1.785 ( 4.468 -1.456 1.834) 5.045 1.898 ( -1.098 5.419 7.485) 9.306 1.965 ( 1.921 5.923 4.554) 7.714 2.022 ( 3.471 3.437 5.528) 7.377 2.094 ( -0.489 -0.337 1.140) 1.286 2.100 ( -3.012 -1.751 0.565) 3.530 2.150 ( -0.621 -3.599 -1.518) 3.955 2.222 ( -0.062 -2.645 4.602) 5.308 2.307 ( -0.255 -0.445 3.246) 3.286 2.401 ( -1.957 -1.210 2.791) 3.617 2.466 ( -1.221 -1.750 3.089) 3.755 2.618 ( 1.729 1.162 -1.272) 2.441 2.639 ( 0.791 2.122 -2.771) 3.579 2.671 ( -0.956 0.133 -1.791) 2.035 2.746 ( -0.344 -2.896 -0.984) 3.078 2.833 ( -0.348 1.039 -1.571) 1.915 2.862 ( 1.164 0.281 -1.976) 2.310 2.979 ( 0.152 -3.131 0.262) 3.145 3.043 ( -1.330 -3.854 -1.444) 4.326 3.238 ( 0.922 0.845 0.274) 1.280 3.282 ( 1.003 -0.771 -0.106) 1.270 3.309 ( -0.488 1.551 0.457) 1.689 3.324 ( 0.260 0.506 -0.050) 0.571 6.610 ( -0.105 1.759 -2.163) 2.790 6.615 ( -0.415 0.884 -0.594) 1.143 6.651 ( 1.170 -0.747 -1.058) 1.746 6.700 ( -0.152 -2.673 -3.459) 4.374 6.802 ( 0.117 -1.141 1.276) 1.716 6.824 ( 0.342 -2.151 0.427) 2.219 6.832 ( -0.477 -0.149 0.903) 1.032 6.874 ( -0.673 -1.933 0.419) 2.089 7.634 ( 0.170 0.792 0.360) 0.886 7.651 ( -0.149 0.560 -0.141) 0.596 7.674 ( -0.094 -0.325 0.259) 0.426 7.679 ( -0.044 -0.461 0.223) 0.514 9.273 ( 0.100 0.183 -0.886) 0.910 9.287 ( -0.335 -0.337 -0.994) 1.102 9.301 ( 0.346 -1.011 -1.307) 1.689 9.314 ( -0.080 -1.647 -1.328) 2.118 12.031 ( 0.991 3.319 -0.240) 3.472 12.086 ( 0.847 0.331 -1.262) 1.555 12.193 ( -3.390 3.920 0.411) 5.199 12.256 ( -3.768 1.139 -1.821) 4.338 12.365 ( 2.343 1.567 0.344) 2.840 12.450 ( 2.671 0.752 0.228) 2.784 12.482 ( -0.873 0.385 1.816) 2.052 12.516 ( 0.238 -0.259 2.378) 2.403 12.929 ( -0.002 0.526 -1.634) 1.717 12.945 ( 0.288 0.715 -1.864) 2.017 13.052 ( -0.695 -2.356 -0.411) 2.490 13.062 ( -0.546 -2.214 -0.729) 2.394 13.190 ( 0.508 1.780 0.285) 1.872 13.201 ( 0.455 1.258 -0.416) 1.401 13.234 ( 0.213 -0.368 0.956) 1.046 13.261 ( -0.267 -1.325 -0.078) 1.354 14.554 ( 0.463 0.746 -0.027) 0.878 14.576 ( 0.873 -0.448 -0.866) 1.309 14.651 ( -1.816 -0.156 -0.443) 1.876 14.676 ( -1.140 -1.799 -1.249) 2.469 16.122 ( 4.463 6.080 -9.052) 11.782 16.466 ( -4.383 -3.997 -13.900) 15.113 16.820 ( -4.180 -6.049 0.941) 7.412 16.968 ( -8.310 -12.760 -2.704) 15.465 17.485 ( 19.693 12.164 10.803) 25.543 17.663 ( 19.434 3.161 6.832) 20.841 18.993 ( -13.061 10.818 13.142) 21.455 19.428 ( -26.170 -7.884 0.824) 27.344 22.149 ( 5.283 -0.211 0.323) 5.297 22.192 ( 8.622 -2.300 -1.456) 9.042 22.551 ( -4.180 -0.349 0.941) 4.299 22.629 ( -2.891 -3.812 -1.613) 5.049 ======================= Grid point 107 (42/60) ======================= q-point: ( 0.40 0.38 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 1.266 5.227 3.846) 6.611 0.936 ( -0.093 8.516 6.230) 10.552 1.084 ( 1.502 4.334 5.059) 6.829 1.120 ( -1.374 5.382 4.498) 7.147 1.185 ( 2.189 -4.097 1.371) 4.843 1.207 ( 0.096 1.883 3.697) 4.151 1.240 ( 0.542 4.258 -2.259) 4.850 1.275 ( -3.202 4.610 -2.488) 6.140 1.431 ( -0.553 -1.532 0.119) 1.633 1.456 ( -3.058 -1.576 1.693) 3.834 1.502 ( 1.861 -0.307 -1.623) 2.489 1.555 ( -3.316 -1.828 -0.676) 3.847 1.781 ( 3.112 2.742 2.950) 5.090 1.836 ( -1.685 2.498 0.848) 3.130 1.905 ( 3.856 1.076 3.893) 5.584 1.980 ( -2.268 0.730 2.409) 3.388 2.059 ( 0.537 0.660 5.433) 5.499 2.080 ( -0.698 1.146 3.313) 3.574 2.103 ( 4.242 4.831 8.437) 10.607 2.169 ( 1.806 -3.412 0.524) 3.896 2.195 ( -2.593 -1.883 3.134) 4.482 2.243 ( -4.404 0.339 4.684) 6.438 2.406 ( 1.497 -3.417 2.084) 4.273 2.437 ( -1.562 -2.748 2.819) 4.235 2.642 ( 0.649 2.139 -1.772) 2.852 2.654 ( -0.690 1.424 -1.858) 2.440 2.672 ( 2.402 0.006 -1.834) 3.022 2.720 ( -2.149 -1.486 -1.401) 2.964 2.844 ( 1.479 1.027 -1.483) 2.333 2.871 ( -0.588 0.481 -1.450) 1.637 2.987 ( 0.669 -4.137 -0.424) 4.212 3.009 ( -1.634 -4.123 -1.052) 4.558 3.265 ( 1.579 1.250 0.401) 2.054 3.293 ( -1.116 1.453 0.434) 1.883 3.306 ( 1.167 -0.665 -0.546) 1.450 3.323 ( -0.470 -0.281 -0.483) 0.730 6.608 ( -0.034 1.739 -1.489) 2.290 6.610 ( -0.159 1.454 -1.109) 1.836 6.675 ( 1.130 -1.562 -1.877) 2.691 6.693 ( -0.631 -2.263 -2.741) 3.610 6.807 ( 0.446 -0.748 1.202) 1.484 6.819 ( -0.682 -0.317 1.146) 1.370 6.837 ( 0.833 -2.146 0.316) 2.324 6.857 ( -1.020 -2.023 0.400) 2.301 7.639 ( 0.313 0.865 0.275) 0.960 7.646 ( -0.323 0.851 0.104) 0.916 7.674 ( 0.086 -0.620 0.140) 0.642 7.677 ( -0.148 -0.569 0.134) 0.603 9.276 ( 0.190 0.075 -0.902) 0.925 9.281 ( -0.270 -0.100 -0.940) 0.983 9.307 ( 0.273 -1.295 -1.331) 1.877 9.312 ( -0.173 -1.512 -1.337) 2.026 12.063 ( 2.142 3.374 0.099) 3.998 12.105 ( -0.384 2.841 -0.543) 2.918 12.136 ( -0.709 0.871 -0.338) 1.173 12.180 ( -3.487 0.602 -1.454) 3.825 12.415 ( 2.357 1.677 1.081) 3.089 12.455 ( -1.627 1.164 1.888) 2.751 12.495 ( 1.572 -0.007 0.737) 1.736 12.515 ( -0.460 -0.230 1.824) 1.895 12.935 ( 0.507 1.044 -1.559) 1.943 12.945 ( -0.351 1.256 -1.679) 2.126 13.043 ( -0.050 -2.865 -0.973) 3.026 13.049 ( -0.613 -2.691 -1.057) 2.956 13.201 ( 0.481 1.479 -0.266) 1.578 13.206 ( -0.003 1.398 -0.505) 1.487 13.242 ( 0.539 -0.601 0.738) 1.094 13.253 ( -0.525 -0.944 0.222) 1.103 14.570 ( 1.213 0.915 -0.038) 1.520 14.594 ( -0.036 0.107 -0.741) 0.750 14.618 ( -0.340 -0.865 -0.638) 1.127 14.645 ( -1.827 -1.768 -1.288) 2.850 16.239 ( 6.755 6.194 -7.345) 11.745 16.367 ( -5.670 3.853 -7.850) 10.421 16.768 ( -0.568 -12.591 -6.416) 14.143 16.816 ( -5.571 -15.918 -7.869) 18.611 17.977 ( 26.245 15.669 10.188) 32.219 18.078 ( 19.436 11.495 7.730) 23.867 18.661 ( -16.948 3.158 14.298) 22.397 18.819 ( -30.560 -1.507 9.840) 32.141 22.282 ( 7.537 0.063 0.443) 7.550 22.372 ( 7.035 -3.562 -2.355) 8.229 22.444 ( -4.929 -1.170 0.315) 5.076 22.538 ( -6.163 -4.802 -2.432) 8.182 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 -0.50 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.000 -4.935 3.409) 5.997 0.946 ( 0.000 4.935 3.409) 5.997 1.122 ( 0.000 -3.966 7.456) 8.445 1.122 ( 0.000 3.966 7.456) 8.445 1.193 ( 0.000 -2.425 0.760) 2.541 1.193 ( 0.000 2.425 0.760) 2.541 1.354 ( 0.000 -7.888 1.331) 7.999 1.354 ( 0.000 7.888 1.331) 7.999 1.495 ( 0.000 -0.382 -4.212) 4.230 1.495 ( 0.000 0.382 -4.212) 4.230 1.582 ( 0.000 -3.809 6.528) 7.558 1.582 ( 0.000 3.809 6.528) 7.558 1.697 ( 0.000 -1.047 3.298) 3.460 1.697 ( 0.000 1.047 3.298) 3.460 2.003 ( 0.000 -4.893 3.498) 6.015 2.003 ( 0.000 4.893 3.498) 6.015 2.058 ( 0.000 -3.264 -4.438) 5.509 2.058 ( 0.000 3.264 -4.438) 5.509 2.134 ( 0.000 -6.658 11.324) 13.136 2.134 ( 0.000 6.658 11.324) 13.136 2.219 ( 0.000 -3.231 1.362) 3.506 2.219 ( 0.000 3.231 1.362) 3.506 2.448 ( 0.000 -1.480 2.291) 2.727 2.448 ( 0.000 1.480 2.291) 2.727 2.633 ( 0.000 -1.959 -1.348) 2.378 2.633 ( 0.000 1.959 -1.348) 2.378 2.690 ( 0.000 -1.767 -2.806) 3.316 2.690 ( 0.000 1.767 -2.806) 3.316 2.867 ( 0.000 -0.677 -2.088) 2.195 2.867 ( 0.000 0.677 -2.088) 2.195 2.972 ( 0.000 -3.095 0.222) 3.103 2.972 ( 0.000 3.095 0.222) 3.103 3.248 ( 0.000 -1.125 0.516) 1.238 3.248 ( 0.000 1.125 0.516) 1.238 3.332 ( 0.000 -0.121 0.179) 0.216 3.332 ( 0.000 0.121 0.179) 0.216 6.629 ( 0.000 -0.160 -1.034) 1.046 6.629 ( 0.000 0.160 -1.034) 1.046 6.650 ( 0.000 -2.047 -2.829) 3.492 6.650 ( 0.000 2.047 -2.829) 3.492 6.792 ( 0.000 -0.490 1.018) 1.130 6.792 ( 0.000 0.490 1.018) 1.130 6.851 ( 0.000 -1.118 0.724) 1.332 6.851 ( 0.000 1.118 0.724) 1.332 7.648 ( 0.000 -0.645 0.101) 0.653 7.648 ( 0.000 0.645 0.101) 0.653 7.675 ( 0.000 -0.095 0.243) 0.261 7.675 ( 0.000 0.095 0.243) 0.261 9.284 ( 0.000 -0.684 -1.115) 1.308 9.284 ( 0.000 0.684 -1.115) 1.308 9.289 ( 0.000 -0.411 -1.213) 1.281 9.289 ( 0.000 0.411 -1.213) 1.281 12.067 ( 0.000 -1.214 -0.913) 1.519 12.067 ( 0.000 1.214 -0.913) 1.519 12.310 ( 0.000 -0.039 -2.204) 2.204 12.310 ( 0.000 0.039 -2.204) 2.204 12.380 ( 0.000 -3.459 1.580) 3.802 12.380 ( 0.000 3.459 1.580) 3.802 12.504 ( 0.000 -0.635 2.619) 2.695 12.504 ( 0.000 0.635 2.619) 2.695 12.941 ( 0.000 -0.223 -1.837) 1.851 12.941 ( 0.000 0.223 -1.837) 1.851 13.038 ( 0.000 -0.341 -0.428) 0.547 13.038 ( 0.000 0.341 -0.428) 0.547 13.209 ( 0.000 -0.095 0.888) 0.893 13.209 ( 0.000 0.095 0.888) 0.893 13.236 ( 0.000 -1.033 -0.359) 1.093 13.236 ( 0.000 1.033 -0.359) 1.093 14.561 ( 0.000 -0.508 -0.425) 0.662 14.561 ( 0.000 0.508 -0.425) 0.662 14.669 ( 0.000 -0.091 -1.094) 1.097 14.669 ( 0.000 0.091 -1.094) 1.097 16.271 ( 0.000 -12.238 -16.783) 20.771 16.271 ( 0.000 12.238 -16.783) 20.771 16.922 ( 0.000 -4.838 9.031) 10.245 16.922 ( 0.000 4.838 9.031) 10.245 17.401 ( 0.000 -2.509 5.987) 6.492 17.401 ( 0.000 2.509 5.987) 6.492 19.422 ( 0.000 -14.698 2.451) 14.901 19.422 ( 0.000 14.698 2.451) 14.901 22.091 ( 0.000 -0.383 0.252) 0.458 22.091 ( 0.000 0.383 0.252) 0.458 22.605 ( 0.000 -1.581 -0.122) 1.586 22.605 ( 0.000 1.581 -0.122) 1.586 ======================= Grid point 112 (44/60) ======================= q-point: ( 0.20 -0.50 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 2.603 -5.461 3.172) 6.831 0.973 ( 2.603 5.461 3.172) 6.831 1.117 ( -0.557 -5.381 7.303) 9.089 1.117 ( -0.557 5.381 7.303) 9.089 1.198 ( 0.612 -4.915 0.824) 5.021 1.198 ( 0.612 4.915 0.824) 5.021 1.348 ( -1.043 -6.796 0.660) 6.908 1.348 ( -1.043 6.796 0.660) 6.908 1.462 ( -2.301 -2.028 -2.240) 3.798 1.462 ( -2.301 2.028 -2.240) 3.798 1.544 ( -2.765 -3.708 3.693) 5.919 1.544 ( -2.765 3.708 3.693) 5.919 1.760 ( 4.769 -1.634 3.728) 6.270 1.760 ( 4.769 1.634 3.728) 6.270 1.991 ( -1.731 -4.740 2.142) 5.482 1.991 ( -1.731 4.740 2.142) 5.482 2.051 ( 0.373 -3.876 -0.703) 3.957 2.051 ( 0.373 3.876 -0.703) 3.957 2.140 ( -0.153 -4.839 7.944) 9.303 2.140 ( -0.153 4.839 7.944) 9.303 2.228 ( 1.335 -6.876 2.577) 7.463 2.228 ( 1.335 6.876 2.577) 7.463 2.419 ( -2.684 -2.608 2.566) 4.537 2.419 ( -2.684 2.608 2.566) 4.537 2.645 ( 1.026 -1.364 -1.369) 2.188 2.645 ( 1.026 1.364 -1.369) 2.188 2.696 ( 0.340 -2.152 -2.373) 3.222 2.696 ( 0.340 2.152 -2.373) 3.222 2.869 ( 0.401 -1.397 -1.785) 2.302 2.869 ( 0.401 1.397 -1.785) 2.302 2.959 ( -1.254 -2.845 -0.212) 3.117 2.959 ( -1.254 2.845 -0.212) 3.117 3.260 ( 1.138 -1.167 0.299) 1.657 3.260 ( 1.138 1.167 0.299) 1.657 3.329 ( -0.383 -0.314 0.143) 0.515 3.329 ( -0.383 0.314 0.143) 0.515 6.632 ( 0.305 -0.719 -1.278) 1.498 6.632 ( 0.305 0.719 -1.278) 1.498 6.650 ( -0.028 -1.988 -2.631) 3.298 6.650 ( -0.028 1.988 -2.631) 3.298 6.795 ( 0.370 -0.561 1.004) 1.208 6.795 ( 0.370 0.561 1.004) 1.208 6.844 ( -0.656 -1.073 0.758) 1.469 6.844 ( -0.656 1.073 0.758) 1.469 7.650 ( 0.219 -0.632 0.105) 0.676 7.650 ( 0.219 0.632 0.105) 0.676 7.672 ( -0.288 -0.267 0.223) 0.451 7.672 ( -0.288 0.267 0.223) 0.451 9.285 ( 0.048 -0.681 -1.127) 1.317 9.285 ( 0.048 0.681 -1.127) 1.317 9.288 ( -0.035 -0.474 -1.206) 1.296 9.288 ( -0.035 0.474 -1.206) 1.296 12.076 ( 1.024 -1.231 -0.775) 1.779 12.076 ( 1.024 1.231 -0.775) 1.779 12.253 ( -4.120 -1.548 -1.112) 4.540 12.253 ( -4.120 1.548 -1.112) 4.540 12.421 ( 2.530 -3.114 1.097) 4.160 12.421 ( 2.530 3.114 1.097) 4.160 12.502 ( -0.231 -1.140 2.425) 2.690 12.502 ( -0.231 1.140 2.425) 2.690 12.948 ( 0.755 -0.834 -1.857) 2.171 12.948 ( 0.755 0.834 -1.857) 2.171 13.026 ( -1.140 -0.648 -0.687) 1.480 13.026 ( -1.140 0.648 -0.687) 1.480 13.214 ( 0.499 -0.510 0.639) 0.958 13.214 ( 0.499 0.510 0.639) 0.958 13.236 ( -0.063 -1.020 -0.329) 1.073 13.236 ( -0.063 1.020 -0.329) 1.073 14.567 ( 0.619 -0.504 -0.572) 0.982 14.567 ( 0.619 0.504 -0.572) 0.982 14.654 ( -1.397 -0.507 -1.165) 1.888 14.654 ( -1.397 0.507 -1.165) 1.888 16.306 ( 3.547 -10.577 -15.027) 18.716 16.306 ( 3.547 10.577 -15.027) 18.716 16.780 ( -10.403 -3.677 3.305) 11.518 16.780 ( -10.403 3.677 3.305) 11.518 17.658 ( 21.623 -4.249 9.423) 23.967 17.658 ( 21.623 4.249 9.423) 23.967 19.230 ( -18.358 -11.221 4.618) 22.006 19.230 ( -18.358 11.221 4.618) 22.006 22.158 ( 6.176 -1.067 -0.364) 6.278 22.158 ( 6.176 1.067 -0.364) 6.278 22.567 ( -3.755 -1.990 -0.355) 4.265 22.567 ( -3.755 1.990 -0.355) 4.265 ======================= Grid point 114 (45/60) ======================= q-point: ( 0.40 -0.50 0.29) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 3.594 -6.078 3.753) 7.996 1.039 ( 3.594 6.078 3.753) 7.996 1.095 ( -1.807 -6.242 5.997) 8.842 1.095 ( -1.807 6.242 5.997) 8.842 1.225 ( 2.336 -5.912 0.540) 6.380 1.225 ( 2.336 5.912 0.540) 6.380 1.293 ( -3.999 -5.677 -0.505) 6.962 1.293 ( -3.999 5.677 -0.505) 6.962 1.447 ( 0.987 -4.297 0.473) 4.434 1.447 ( 0.987 4.297 0.473) 4.434 1.487 ( -2.717 -4.279 1.571) 5.307 1.487 ( -2.717 4.279 1.571) 5.307 1.855 ( 4.524 -3.053 2.465) 5.988 1.855 ( 4.524 3.053 2.465) 5.988 1.935 ( -3.539 -3.833 1.207) 5.355 1.935 ( -3.539 3.833 1.207) 5.355 2.080 ( 2.029 -3.231 2.658) 4.650 2.080 ( 2.029 3.231 2.658) 4.650 2.119 ( -1.740 -3.537 4.605) 6.061 2.119 ( -1.740 3.537 4.605) 6.061 2.278 ( 3.399 -7.602 4.184) 9.319 2.278 ( 3.399 7.602 4.184) 9.319 2.352 ( -3.788 -5.094 3.589) 7.292 2.352 ( -3.788 5.094 3.589) 7.292 2.668 ( 1.244 -0.466 -1.614) 2.090 2.668 ( 1.244 0.466 -1.614) 2.090 2.691 ( -0.874 -1.508 -1.827) 2.525 2.691 ( -0.874 1.508 -1.827) 2.525 2.889 ( 1.632 -2.212 -1.350) 3.062 2.889 ( 1.632 2.212 -1.350) 3.062 2.926 ( -1.909 -2.323 -0.924) 3.146 2.926 ( -1.909 2.323 -0.924) 3.146 3.288 ( 1.537 -1.013 0.042) 1.841 3.288 ( 1.537 1.013 0.042) 1.841 3.315 ( -1.062 -0.665 0.048) 1.254 3.315 ( -1.062 0.665 0.048) 1.254 6.640 ( 0.418 -1.287 -1.762) 2.222 6.640 ( 0.418 1.287 -1.762) 2.222 6.647 ( -0.261 -1.726 -2.220) 2.825 6.647 ( -0.261 1.726 -2.220) 2.825 6.808 ( 0.850 -0.739 0.945) 1.470 6.808 ( 0.850 0.739 0.945) 1.470 6.827 ( -1.011 -0.939 0.845) 1.619 6.827 ( -1.011 0.939 0.845) 1.619 7.656 ( 0.398 -0.578 0.127) 0.713 7.656 ( 0.398 0.578 0.127) 0.713 7.665 ( -0.441 -0.459 0.174) 0.660 7.665 ( -0.441 0.459 0.174) 0.660 9.286 ( 0.071 -0.655 -1.156) 1.331 9.286 ( 0.071 0.655 -1.156) 1.331 9.287 ( -0.063 -0.583 -1.186) 1.323 9.287 ( -0.063 0.583 -1.186) 1.323 12.110 ( 2.402 -1.316 -0.543) 2.792 12.110 ( 2.402 1.316 -0.543) 2.792 12.172 ( -3.760 -1.460 -0.590) 4.077 12.172 ( -3.760 1.460 -0.590) 4.077 12.464 ( 1.792 -2.604 1.587) 3.537 12.464 ( 1.792 2.604 1.587) 3.537 12.491 ( -0.926 -1.910 2.051) 2.952 12.491 ( -0.926 1.910 2.051) 2.952 12.969 ( 1.312 -1.147 -1.725) 2.452 12.969 ( 1.312 1.147 -1.725) 2.452 12.998 ( -1.518 -0.992 -1.262) 2.209 12.998 ( -1.518 0.992 -1.262) 2.209 13.225 ( 0.504 -0.773 0.158) 0.936 13.225 ( 0.504 0.773 0.158) 0.936 13.233 ( -0.268 -0.931 -0.188) 0.987 13.233 ( -0.268 0.931 -0.188) 0.987 14.586 ( 1.379 -0.642 -0.912) 1.774 14.586 ( 1.379 0.642 -0.912) 1.774 14.620 ( -1.856 -0.738 -1.170) 2.315 14.620 ( -1.856 0.738 -1.170) 2.315 16.411 ( 6.967 -6.797 -10.417) 14.257 16.411 ( 6.967 6.797 -10.417) 14.257 16.577 ( -9.531 -3.245 -4.037) 10.847 16.577 ( -9.531 3.245 -4.037) 10.847 18.171 ( 28.708 -2.724 10.638) 30.737 18.171 ( 28.708 2.724 10.638) 30.737 18.750 ( -28.211 -4.735 8.515) 29.846 18.750 ( -28.211 4.735 8.515) 29.846 22.308 ( 8.160 -2.366 -1.009) 8.556 22.308 ( 8.160 2.366 -1.009) 8.556 22.461 ( -6.810 -2.545 -0.844) 7.319 22.461 ( -6.810 2.545 -0.844) 7.319 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.000 0.000 10.605) 10.605 0.683 ( 0.000 0.000 10.591) 10.591 0.808 ( 0.000 0.000 -9.894) 9.894 0.878 ( 0.000 0.000 -10.347) 10.347 1.103 ( 0.000 0.000 4.686) 4.686 1.198 ( 0.000 0.000 -5.289) 5.289 1.235 ( 0.000 0.000 2.977) 2.977 1.266 ( 0.000 0.000 0.113) 0.113 1.393 ( 0.000 0.000 2.178) 2.178 1.451 ( 0.000 0.000 -4.010) 4.010 1.685 ( 0.000 0.000 6.861) 6.861 1.687 ( 0.000 0.000 4.780) 4.780 1.699 ( 0.000 0.000 8.092) 8.092 1.770 ( 0.000 0.000 -3.855) 3.855 1.941 ( 0.000 0.000 10.949) 10.949 2.032 ( 0.000 0.000 3.712) 3.712 2.042 ( 0.000 0.000 -1.457) 1.457 2.052 ( 0.000 0.000 3.365) 3.365 2.092 ( 0.000 0.000 -2.775) 2.775 2.210 ( 0.000 0.000 -5.836) 5.836 2.382 ( 0.000 0.000 1.766) 1.766 2.418 ( 0.000 0.000 -1.916) 1.916 2.430 ( 0.000 0.000 3.851) 3.851 2.447 ( 0.000 0.000 -3.675) 3.675 2.532 ( 0.000 0.000 1.025) 1.025 2.579 ( 0.000 0.000 0.767) 0.767 2.793 ( 0.000 0.000 8.154) 8.154 2.915 ( 0.000 0.000 0.836) 0.836 2.925 ( 0.000 0.000 -0.312) 0.312 2.935 ( 0.000 0.000 -5.924) 5.924 2.950 ( 0.000 0.000 4.024) 4.024 3.113 ( 0.000 0.000 -11.179) 11.179 3.201 ( 0.000 0.000 0.165) 0.165 3.202 ( 0.000 0.000 0.183) 0.183 3.265 ( 0.000 0.000 1.498) 1.498 3.327 ( 0.000 0.000 -4.275) 4.275 6.539 ( 0.000 0.000 4.701) 4.701 6.598 ( 0.000 0.000 -1.086) 1.086 6.641 ( 0.000 0.000 1.321) 1.321 6.688 ( 0.000 0.000 -4.036) 4.036 6.876 ( 0.000 0.000 1.721) 1.721 6.911 ( 0.000 0.000 -1.915) 1.915 7.003 ( 0.000 0.000 0.940) 0.940 7.021 ( 0.000 0.000 -0.981) 0.981 7.603 ( 0.000 0.000 0.549) 0.549 7.613 ( 0.000 0.000 -0.462) 0.462 7.688 ( 0.000 0.000 0.836) 0.836 7.700 ( 0.000 0.000 -0.547) 0.547 9.325 ( 0.000 0.000 0.638) 0.638 9.340 ( 0.000 0.000 0.942) 0.942 9.342 ( 0.000 0.000 -1.202) 1.202 9.364 ( 0.000 0.000 -1.644) 1.644 11.785 ( 0.000 0.000 1.197) 1.197 11.826 ( 0.000 0.000 -3.140) 3.140 12.116 ( 0.000 0.000 2.795) 2.795 12.160 ( 0.000 0.000 -1.826) 1.826 12.338 ( 0.000 0.000 -0.300) 0.300 12.339 ( 0.000 0.000 -0.425) 0.425 12.491 ( 0.000 0.000 1.074) 1.074 12.525 ( 0.000 0.000 -2.584) 2.584 12.850 ( 0.000 0.000 1.410) 1.410 12.857 ( 0.000 0.000 0.782) 0.782 13.104 ( 0.000 0.000 0.588) 0.588 13.115 ( 0.000 0.000 -0.493) 0.493 13.121 ( 0.000 0.000 -0.265) 0.265 13.125 ( 0.000 0.000 -0.765) 0.765 13.285 ( 0.000 0.000 2.295) 2.295 13.321 ( 0.000 0.000 -1.602) 1.602 14.527 ( 0.000 0.000 0.539) 0.539 14.541 ( 0.000 0.000 -0.977) 0.977 14.798 ( 0.000 0.000 3.199) 3.199 14.848 ( 0.000 0.000 -1.880) 1.880 16.105 ( 0.000 0.000 9.865) 9.865 16.222 ( 0.000 0.000 -2.767) 2.767 16.867 ( 0.000 0.000 4.995) 4.995 16.968 ( 0.000 0.000 -6.166) 6.166 16.985 ( 0.000 0.000 5.623) 5.623 17.160 ( 0.000 0.000 -12.593) 12.593 19.712 ( 0.000 0.000 27.118) 27.118 20.153 ( 0.000 0.000 -19.978) 19.978 22.094 ( 0.000 0.000 0.966) 0.966 22.113 ( 0.000 0.000 -0.999) 0.999 22.736 ( 0.000 0.000 2.780) 2.780 22.784 ( 0.000 0.000 -2.259) 2.259 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.20 0.00 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 7.033 0.000 8.623) 11.127 0.756 ( 6.731 0.000 8.892) 11.152 0.848 ( 3.787 0.000 -7.902) 8.763 0.924 ( 4.170 0.000 -9.054) 9.968 1.107 ( 0.368 0.000 4.025) 4.042 1.190 ( -4.080 0.000 3.138) 5.147 1.191 ( -0.747 0.000 -4.577) 4.637 1.213 ( -4.668 0.000 0.651) 4.713 1.371 ( -2.251 0.000 1.175) 2.540 1.404 ( -4.510 0.000 -1.767) 4.844 1.662 ( -1.597 0.000 3.518) 3.864 1.699 ( 3.173 0.000 10.361) 10.836 1.736 ( -3.022 0.000 -3.946) 4.970 1.779 ( 4.388 0.000 1.679) 4.698 1.930 ( -1.738 0.000 7.701) 7.895 1.998 ( -3.912 0.000 -1.004) 4.039 2.034 ( 0.401 0.000 7.699) 7.710 2.062 ( 2.885 0.000 3.915) 4.863 2.129 ( 2.520 0.000 -3.233) 4.099 2.240 ( 2.467 0.000 -6.285) 6.752 2.354 ( -4.404 0.000 5.364) 6.940 2.376 ( -0.532 0.000 1.827) 1.903 2.411 ( -0.734 0.000 -1.877) 2.015 2.432 ( -2.281 0.000 -2.547) 3.420 2.536 ( -0.396 0.000 4.342) 4.360 2.661 ( 3.064 0.000 -3.644) 4.761 2.772 ( -0.173 0.000 4.421) 4.424 2.826 ( -2.363 0.000 -2.548) 3.475 2.920 ( 0.441 0.000 0.824) 0.935 2.929 ( 0.326 0.000 -0.202) 0.383 3.052 ( 3.644 0.000 1.017) 3.783 3.132 ( 0.267 0.000 -6.163) 6.169 3.198 ( -0.290 0.000 0.216) 0.361 3.199 ( -0.266 0.000 0.114) 0.289 3.265 ( 0.456 0.000 -0.427) 0.625 3.317 ( -0.611 0.000 -4.740) 4.779 6.543 ( 0.386 0.000 4.473) 4.489 6.588 ( -0.812 0.000 0.524) 0.966 6.650 ( 0.714 0.000 -0.252) 0.758 6.685 ( -0.265 0.000 -3.852) 3.861 6.888 ( 1.092 0.000 1.718) 2.036 6.921 ( 0.974 0.000 -1.807) 2.053 6.990 ( -1.190 0.000 1.064) 1.597 7.011 ( -0.999 0.000 -1.101) 1.487 7.605 ( 0.150 0.000 0.510) 0.531 7.613 ( -0.010 0.000 -0.324) 0.324 7.688 ( 0.033 0.000 0.666) 0.667 7.698 ( -0.190 0.000 -0.466) 0.503 9.326 ( 0.114 0.000 0.741) 0.750 9.337 ( -0.153 0.000 0.786) 0.801 9.346 ( 0.322 0.000 -1.156) 1.200 9.363 ( -0.118 0.000 -1.631) 1.635 11.790 ( 0.463 0.000 0.896) 1.009 11.823 ( -0.275 0.000 -2.623) 2.638 12.118 ( 0.221 0.000 2.242) 2.253 12.154 ( -0.566 0.000 -1.508) 1.611 12.350 ( 1.239 0.000 -0.096) 1.243 12.358 ( 1.603 0.000 -1.039) 1.910 12.483 ( -0.716 0.000 1.094) 1.307 12.515 ( -1.007 0.000 -2.358) 2.564 12.851 ( 0.154 0.000 1.361) 1.369 12.857 ( 0.028 0.000 0.847) 0.848 13.112 ( 0.703 0.000 0.454) 0.837 13.121 ( 0.499 0.000 -0.398) 0.638 13.121 ( 0.039 0.000 -0.311) 0.314 13.125 ( -0.041 0.000 -0.717) 0.718 13.287 ( 0.213 0.000 2.072) 2.083 13.317 ( -0.390 0.000 -1.184) 1.246 14.535 ( 1.174 0.000 1.474) 1.884 14.566 ( 2.027 0.000 -1.755) 2.681 14.779 ( -1.682 0.000 3.084) 3.513 14.831 ( -1.688 0.000 -2.177) 2.755 16.116 ( 1.067 0.000 9.046) 9.108 16.211 ( -1.112 0.000 -1.057) 1.534 16.925 ( 5.609 0.000 5.627) 7.945 17.002 ( 1.625 0.000 3.380) 3.750 17.025 ( 5.124 0.000 -5.245) 7.333 17.144 ( -1.628 0.000 -11.240) 11.357 19.483 ( -19.700 0.000 20.537) 28.458 19.739 ( -32.941 0.000 -5.821) 33.452 22.230 ( 10.017 0.000 2.087) 10.232 22.291 ( 14.682 0.000 -4.818) 15.452 22.704 ( -3.192 0.000 3.600) 4.811 22.769 ( -1.759 0.000 -3.277) 3.720 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.40 0.00 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 8.010 0.000 5.022) 9.454 0.913 ( 7.865 0.000 5.021) 9.331 0.929 ( 2.479 0.000 -2.901) 3.816 0.998 ( 1.036 0.000 -3.235) 3.397 1.092 ( -4.106 0.000 3.271) 5.250 1.116 ( -4.587 0.000 0.626) 4.630 1.121 ( 1.522 0.000 0.450) 1.588 1.166 ( -1.931 0.000 -3.253) 3.783 1.304 ( -3.300 0.000 1.004) 3.449 1.312 ( -3.392 0.000 -0.237) 3.400 1.649 ( 0.415 0.000 0.668) 0.787 1.677 ( -2.387 0.000 -2.069) 3.159 1.786 ( 4.923 0.000 7.437) 8.918 1.834 ( 1.395 0.000 0.149) 1.403 1.876 ( -2.627 0.000 3.899) 4.701 1.904 ( -4.974 0.000 1.580) 5.219 2.116 ( 6.808 0.000 11.260) 13.158 2.125 ( 2.858 0.000 1.833) 3.395 2.157 ( -0.088 0.000 -1.601) 1.603 2.251 ( -5.523 0.000 9.466) 10.959 2.302 ( 2.647 0.000 -4.536) 5.252 2.368 ( -3.680 0.000 -2.429) 4.409 2.372 ( 0.415 0.000 0.754) 0.861 2.390 ( -1.181 0.000 -1.177) 1.667 2.533 ( 1.337 0.000 -0.350) 1.382 2.599 ( -5.070 0.000 -4.266) 6.626 2.845 ( 4.191 0.000 0.832) 4.273 2.860 ( 2.558 0.000 -1.038) 2.761 2.930 ( 0.434 0.000 0.616) 0.753 2.934 ( 0.057 0.000 0.165) 0.175 3.076 ( -0.203 0.000 0.705) 0.733 3.102 ( -2.574 0.000 -1.718) 3.094 3.193 ( -0.151 0.000 0.182) 0.237 3.193 ( -0.209 0.000 0.111) 0.237 3.290 ( 1.629 0.000 -2.807) 3.245 3.311 ( -0.375 0.000 -4.475) 4.491 6.554 ( 0.705 0.000 3.753) 3.818 6.570 ( -0.891 0.000 2.457) 2.613 6.665 ( 0.722 0.000 -2.084) 2.205 6.677 ( -0.521 0.000 -3.245) 3.286 6.917 ( 1.769 0.000 1.644) 2.415 6.943 ( 0.547 0.000 -0.557) 0.781 6.963 ( -0.819 0.000 0.325) 0.881 6.984 ( -1.571 0.000 -1.370) 2.084 7.609 ( 0.197 0.000 0.346) 0.398 7.612 ( -0.110 0.000 0.019) 0.111 7.689 ( 0.152 0.000 0.239) 0.283 7.694 ( -0.249 0.000 -0.201) 0.320 9.329 ( 0.212 0.000 0.881) 0.906 9.334 ( -0.215 0.000 0.897) 0.922 9.353 ( 0.345 0.000 -1.441) 1.481 9.359 ( -0.244 0.000 -1.581) 1.600 11.802 ( 0.682 0.000 -0.004) 0.682 11.815 ( -0.568 0.000 -1.354) 1.468 12.126 ( 0.560 0.000 0.887) 1.049 12.140 ( -0.771 0.000 -0.552) 0.948 12.379 ( 1.383 0.000 -0.335) 1.423 12.388 ( 0.828 0.000 -1.410) 1.635 12.471 ( -0.074 0.000 0.533) 0.538 12.488 ( -1.460 0.000 -1.434) 2.047 12.855 ( 0.162 0.000 1.216) 1.227 12.857 ( -0.050 0.000 1.017) 1.019 13.122 ( 0.065 0.000 -0.434) 0.439 13.124 ( -0.067 0.000 -0.590) 0.594 13.126 ( 0.542 0.000 0.158) 0.565 13.130 ( 0.236 0.000 -0.163) 0.286 13.294 ( 0.517 0.000 1.263) 1.364 13.306 ( -0.649 0.000 -0.054) 0.651 14.572 ( 2.214 0.000 1.847) 2.883 14.598 ( 0.344 0.000 -0.622) 0.711 14.753 ( -0.090 0.000 1.017) 1.021 14.785 ( -2.575 0.000 -2.023) 3.275 16.145 ( 1.748 0.000 6.592) 6.820 16.181 ( -1.775 0.000 2.804) 3.319 17.046 ( 2.629 0.000 -1.875) 3.229 17.062 ( 6.646 0.000 4.867) 8.237 17.100 ( -2.632 0.000 -7.388) 7.843 17.116 ( 2.044 0.000 -0.944) 2.252 19.118 ( -11.778 0.000 12.140) 16.915 19.174 ( -18.218 0.000 6.736) 19.423 22.439 ( 9.840 0.000 4.761) 10.931 22.542 ( 8.463 0.000 -5.803) 10.261 22.614 ( -4.728 0.000 3.855) 6.100 22.703 ( -5.086 0.000 -5.090) 7.195 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.12 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 0.000 6.843 7.601) 10.227 0.715 ( 0.000 4.357 7.201) 8.417 0.896 ( 0.000 6.334 -5.028) 8.087 0.941 ( 0.000 4.967 -7.260) 8.797 1.092 ( 0.000 -0.489 3.909) 3.940 1.173 ( 0.000 -1.124 -3.902) 4.061 1.245 ( 0.000 0.295 1.035) 1.076 1.265 ( 0.000 -0.289 -0.803) 0.854 1.390 ( 0.000 0.620 0.505) 0.799 1.412 ( 0.000 -2.560 -2.156) 3.346 1.669 ( 0.000 -0.716 7.337) 7.372 1.730 ( 0.000 1.440 1.784) 2.293 1.794 ( 0.000 7.367 6.142) 9.591 1.812 ( 0.000 5.269 0.599) 5.303 1.912 ( 0.000 -6.029 2.511) 6.531 1.913 ( 0.000 -3.456 4.527) 5.695 2.055 ( 0.000 1.792 8.250) 8.442 2.083 ( 0.000 -0.974 0.084) 0.978 2.108 ( 0.000 1.880 -1.889) 2.665 2.249 ( 0.000 2.671 -3.557) 4.449 2.312 ( 0.000 -4.942 0.701) 4.992 2.340 ( 0.000 -4.285 -5.582) 7.037 2.452 ( 0.000 1.735 2.757) 3.257 2.470 ( 0.000 0.575 -1.562) 1.665 2.570 ( 0.000 2.045 2.137) 2.958 2.609 ( 0.000 1.574 1.760) 2.361 2.761 ( 0.000 -2.199 6.422) 6.788 2.864 ( 0.000 -3.103 -3.637) 4.781 2.867 ( 0.000 -3.188 3.240) 4.545 2.991 ( 0.000 2.012 -4.691) 5.104 3.011 ( 0.000 2.729 0.258) 2.741 3.027 ( 0.000 -5.483 -3.328) 6.414 3.216 ( 0.000 0.914 0.134) 0.924 3.240 ( 0.000 1.001 -3.458) 3.600 3.255 ( 0.000 0.673 1.318) 1.480 3.293 ( 0.000 -2.216 -2.872) 3.627 6.552 ( 0.000 1.111 3.835) 3.993 6.602 ( 0.000 0.366 -0.917) 0.987 6.642 ( 0.000 -0.004 1.057) 1.057 6.686 ( 0.000 -0.224 -4.035) 4.041 6.866 ( 0.000 -0.915 1.474) 1.735 6.895 ( 0.000 -1.398 -1.603) 2.127 6.967 ( 0.000 -3.060 1.280) 3.317 6.989 ( 0.000 -2.785 -1.063) 2.981 7.610 ( 0.000 0.616 0.514) 0.803 7.619 ( 0.000 0.568 -0.430) 0.712 7.687 ( 0.000 -0.081 0.758) 0.762 7.698 ( 0.000 -0.223 -0.465) 0.515 9.306 ( 0.000 -1.558 0.672) 1.697 9.324 ( 0.000 -1.544 -1.263) 1.995 9.329 ( 0.000 -0.852 0.842) 1.197 9.352 ( 0.000 -1.046 -1.575) 1.891 11.839 ( 0.000 4.845 2.015) 5.247 11.898 ( 0.000 5.928 -4.135) 7.228 12.125 ( 0.000 0.948 2.272) 2.462 12.165 ( 0.000 0.807 -2.167) 2.313 12.334 ( 0.000 -0.346 -0.099) 0.360 12.337 ( 0.000 -0.181 -0.402) 0.441 12.503 ( 0.000 1.087 0.677) 1.281 12.522 ( 0.000 -0.193 -1.427) 1.440 12.878 ( 0.000 2.117 0.904) 2.302 12.884 ( 0.000 1.985 0.307) 2.008 13.111 ( 0.000 0.422 0.608) 0.740 13.114 ( 0.000 -0.184 -0.163) 0.245 13.116 ( 0.000 -0.171 -0.350) 0.390 13.127 ( 0.000 0.365 -1.100) 1.159 13.281 ( 0.000 -0.382 2.041) 2.077 13.312 ( 0.000 -0.837 -1.324) 1.566 14.532 ( 0.000 0.472 0.451) 0.652 14.544 ( 0.000 0.281 -0.834) 0.880 14.763 ( 0.000 -3.000 2.616) 3.981 14.804 ( 0.000 -3.688 -1.704) 4.062 16.131 ( 0.000 0.572 11.218) 11.233 16.314 ( 0.000 6.271 -7.060) 9.443 16.858 ( 0.000 3.727 0.405) 3.749 16.886 ( 0.000 -2.382 -3.814) 4.497 17.121 ( 0.000 8.298 7.517) 11.196 17.296 ( 0.000 8.020 -10.800) 13.452 19.603 ( 0.000 -9.301 26.512) 28.096 20.029 ( 0.000 -10.800 -18.864) 21.737 22.094 ( 0.000 -0.007 0.896) 0.896 22.110 ( 0.000 -0.208 -0.829) 0.855 22.710 ( 0.000 -2.308 2.566) 3.451 22.756 ( 0.000 -2.520 -2.294) 3.408 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.20 0.12 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 5.607 5.459 6.813) 10.375 0.790 ( 6.797 3.810 6.868) 10.387 0.897 ( 0.460 3.824 -3.571) 5.252 0.972 ( 2.991 3.532 -7.262) 8.611 1.095 ( -0.026 -0.162 3.594) 3.598 1.165 ( -1.980 -0.240 -1.337) 2.401 1.206 ( -2.381 -0.009 -1.493) 2.810 1.213 ( -3.959 -0.255 0.165) 3.970 1.372 ( -2.080 0.631 0.132) 2.178 1.391 ( -2.638 -0.665 -1.430) 3.073 1.623 ( -3.477 -2.040 3.830) 5.561 1.680 ( -4.469 -2.209 -1.958) 5.356 1.810 ( 2.863 7.609 7.995) 11.402 1.847 ( 2.123 3.530 3.238) 5.239 1.902 ( -1.022 -2.155 4.199) 4.829 1.927 ( 0.363 -4.153 0.687) 4.226 2.053 ( -0.081 1.667 7.144) 7.336 2.104 ( 1.757 0.761 -0.380) 1.952 2.127 ( 2.755 1.605 1.385) 3.476 2.281 ( 2.510 2.985 -4.174) 5.712 2.321 ( 0.651 -2.884 1.090) 3.151 2.356 ( 0.699 -3.882 -2.376) 4.605 2.404 ( -2.956 2.735 4.228) 5.839 2.455 ( -1.623 1.185 -1.191) 2.336 2.556 ( -1.657 0.893 2.578) 3.192 2.646 ( 1.085 -1.454 -2.753) 3.297 2.752 ( -0.365 -1.548 5.232) 5.468 2.810 ( -0.845 -0.858 -1.611) 2.012 2.884 ( -0.019 -3.952 0.020) 3.952 2.936 ( -2.775 -0.890 -3.673) 4.688 3.042 ( 1.946 -1.346 1.513) 2.809 3.078 ( 2.270 -1.440 -2.714) 3.820 3.217 ( -0.038 1.230 0.679) 1.406 3.245 ( -0.684 2.283 -0.755) 2.500 3.257 ( 1.146 -0.248 -1.600) 1.984 3.293 ( 0.128 -1.511 -3.345) 3.673 6.555 ( 0.273 1.002 3.588) 3.735 6.592 ( -0.785 0.359 0.329) 0.923 6.652 ( 0.813 0.120 -0.210) 0.848 6.685 ( -0.158 -0.100 -3.736) 3.740 6.874 ( 0.819 -1.169 1.508) 2.076 6.903 ( 0.804 -1.570 -1.567) 2.359 6.957 ( -1.020 -2.906 1.342) 3.360 6.980 ( -0.909 -2.702 -1.145) 3.072 7.611 ( 0.121 0.588 0.474) 0.765 7.619 ( -0.034 0.542 -0.296) 0.619 7.687 ( 0.045 -0.072 0.600) 0.606 7.696 ( -0.156 -0.192 -0.395) 0.466 9.308 ( 0.170 -1.529 0.687) 1.685 9.322 ( -0.187 -1.440 -0.122) 1.457 9.333 ( 0.324 -0.994 -0.362) 1.107 9.351 ( -0.140 -1.053 -1.534) 1.866 11.844 ( 0.446 4.833 1.559) 5.098 11.891 ( -0.657 5.729 -3.357) 6.673 12.122 ( -0.142 0.469 1.763) 1.830 12.154 ( -0.941 0.250 -1.653) 1.918 12.353 ( 1.788 0.197 0.066) 1.800 12.362 ( 2.185 0.453 -0.865) 2.394 12.493 ( -0.993 0.869 0.695) 1.491 12.512 ( -1.007 -0.111 -1.412) 1.737 12.879 ( 0.118 2.070 0.861) 2.245 12.884 ( 0.016 1.979 0.355) 2.010 13.111 ( 0.043 -0.540 0.118) 0.554 13.115 ( -0.052 -0.599 -0.414) 0.730 13.122 ( 0.627 0.646 0.050) 0.902 13.130 ( 0.333 0.636 -0.815) 1.086 13.283 ( 0.179 -0.414 1.840) 1.894 13.309 ( -0.345 -0.799 -0.968) 1.302 14.539 ( 1.003 0.342 1.334) 1.703 14.566 ( 1.772 0.018 -1.529) 2.340 14.746 ( -1.512 -2.858 2.591) 4.143 14.788 ( -1.547 -3.586 -1.827) 4.312 16.133 ( 0.391 0.164 9.097) 9.107 16.271 ( -3.546 3.936 -4.789) 7.142 16.916 ( 5.175 1.096 0.790) 5.348 16.977 ( 7.194 0.510 -5.658) 9.167 17.147 ( 2.921 10.369 7.461) 13.104 17.298 ( 0.764 10.481 -8.556) 13.551 19.399 ( -17.842 -7.243 20.542) 28.156 19.664 ( -30.047 -6.661 -7.010) 31.564 22.214 ( 9.012 -1.422 1.716) 9.284 22.262 ( 13.142 -2.467 -3.739) 13.884 22.675 ( -3.454 -2.517 3.320) 5.412 22.737 ( -2.133 -2.866 -3.232) 4.818 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.40 0.12 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 5.095 0.977 4.766) 7.045 0.916 ( 0.663 -0.929 -0.506) 1.248 0.945 ( 7.398 3.086 6.310) 10.201 1.041 ( 1.264 3.084 -2.404) 4.110 1.068 ( -1.612 -1.260 2.587) 3.298 1.090 ( -2.989 0.542 0.910) 3.171 1.153 ( -1.322 0.967 -1.795) 2.430 1.180 ( -1.868 0.842 -4.984) 5.389 1.314 ( -2.428 1.796 0.069) 3.020 1.323 ( -2.973 2.029 -0.687) 3.664 1.579 ( -0.576 -4.249 0.851) 4.372 1.601 ( -2.756 -4.373 -1.428) 5.363 1.855 ( 1.113 2.835 4.640) 5.550 1.868 ( -0.448 0.314 2.386) 2.448 1.896 ( 0.923 3.062 2.045) 3.796 1.918 ( -0.950 -0.105 -0.301) 1.002 2.082 ( 3.255 0.499 8.671) 9.275 2.133 ( -0.440 0.230 3.084) 3.123 2.199 ( 4.338 2.775 5.308) 7.395 2.284 ( -4.061 1.519 7.704) 8.840 2.329 ( 1.947 2.027 -3.083) 4.172 2.358 ( -0.224 -1.058 -1.178) 1.599 2.386 ( 0.361 1.263 -0.995) 1.647 2.415 ( -1.894 2.349 -1.783) 3.505 2.538 ( 0.608 0.460 -0.764) 1.079 2.587 ( -4.226 -1.149 -3.857) 5.835 2.800 ( 3.771 -4.119 2.082) 5.960 2.836 ( 1.602 -1.702 -0.736) 2.450 2.874 ( -1.067 -4.683 -1.042) 4.915 2.883 ( -2.380 -4.191 -1.959) 5.203 3.076 ( 1.412 -0.314 1.172) 1.862 3.096 ( -0.348 -0.288 -0.961) 1.062 3.214 ( 0.053 1.758 0.713) 1.898 3.225 ( -0.970 2.229 0.063) 2.432 3.284 ( 1.271 -0.295 -2.561) 2.875 3.297 ( -0.001 -0.795 -3.321) 3.415 6.563 ( 0.543 0.748 2.880) 3.025 6.576 ( -0.761 0.496 1.782) 2.001 6.668 ( 0.724 0.218 -1.728) 1.886 6.679 ( -0.420 0.126 -2.922) 2.955 6.897 ( 1.433 -1.746 1.553) 2.741 6.923 ( 0.295 -1.862 -0.290) 1.907 6.933 ( -0.488 -2.578 0.292) 2.640 6.956 ( -1.424 -2.468 -1.330) 3.144 7.614 ( 0.167 0.533 0.319) 0.643 7.617 ( -0.113 0.511 0.021) 0.523 7.689 ( 0.142 -0.075 0.218) 0.271 7.693 ( -0.211 -0.125 -0.165) 0.295 9.312 ( 0.255 -1.480 0.663) 1.642 9.317 ( -0.241 -1.447 0.467) 1.540 9.340 ( 0.356 -1.050 -1.075) 1.545 9.347 ( -0.270 -1.062 -1.394) 1.773 11.857 ( 0.817 4.929 0.278) 5.004 11.875 ( -0.935 5.280 -1.565) 5.586 12.123 ( 0.303 -0.190 0.602) 0.700 12.135 ( -0.850 -0.298 -0.638) 1.104 12.394 ( 1.975 1.224 0.086) 2.325 12.405 ( 1.459 1.596 -1.108) 2.430 12.470 ( -0.767 -0.018 0.384) 0.857 12.484 ( -1.592 -0.158 -1.137) 1.963 12.882 ( 0.147 1.998 0.720) 2.129 12.884 ( -0.059 1.973 0.513) 2.039 13.112 ( 0.077 -0.911 -0.217) 0.939 13.114 ( -0.070 -0.886 -0.402) 0.975 13.134 ( 0.428 0.735 -0.133) 0.861 13.137 ( 0.179 0.723 -0.408) 0.849 13.289 ( 0.441 -0.517 1.131) 1.319 13.299 ( -0.561 -0.677 -0.002) 0.879 14.571 ( 1.956 -0.060 1.687) 2.584 14.594 ( 0.297 -0.301 -0.535) 0.682 14.721 ( -0.191 -2.782 1.034) 2.975 14.748 ( -2.244 -3.190 -1.543) 4.194 16.153 ( 1.659 -0.023 4.541) 4.835 16.201 ( -3.139 1.141 -0.397) 3.363 17.015 ( 3.936 -2.329 -1.292) 4.752 17.060 ( 0.024 -2.145 -5.880) 6.259 17.263 ( 7.486 17.627 5.354) 19.885 17.333 ( 1.117 17.513 -2.014) 17.664 19.061 ( -11.060 -4.967 11.938) 17.015 19.124 ( -18.296 -4.374 5.797) 19.684 22.409 ( 9.593 -2.694 4.260) 10.836 22.505 ( 10.143 -3.752 -5.969) 12.352 22.574 ( -6.637 -3.071 4.385) 8.527 22.662 ( -5.629 -3.633 -4.890) 8.294 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.25 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 0.000 10.085 6.256) 11.868 0.880 ( 0.000 11.293 3.881) 11.941 0.984 ( 0.000 1.089 1.161) 1.592 1.026 ( 0.000 2.895 -2.392) 3.756 1.105 ( 0.000 2.078 1.071) 2.338 1.163 ( 0.000 -0.811 -4.114) 4.193 1.265 ( 0.000 2.453 0.363) 2.480 1.290 ( 0.000 3.793 -2.622) 4.611 1.384 ( 0.000 0.255 0.534) 0.592 1.417 ( 0.000 1.319 -2.415) 2.751 1.669 ( 0.000 0.642 5.238) 5.277 1.725 ( 0.000 -1.109 -1.571) 1.923 1.811 ( 0.000 -3.777 2.096) 4.320 1.825 ( 0.000 -4.095 1.355) 4.314 1.933 ( 0.000 4.452 4.799) 6.546 1.957 ( 0.000 6.852 3.681) 7.778 2.045 ( 0.000 -1.214 4.330) 4.497 2.130 ( 0.000 3.835 11.029) 11.677 2.131 ( 0.000 0.271 -4.532) 4.540 2.220 ( 0.000 -3.189 0.722) 3.269 2.228 ( 0.000 -1.989 0.027) 1.989 2.351 ( 0.000 3.084 -7.292) 7.918 2.474 ( 0.000 0.364 -0.609) 0.709 2.488 ( 0.000 1.708 0.453) 1.767 2.594 ( 0.000 0.066 2.081) 2.082 2.605 ( 0.000 -1.978 3.673) 4.172 2.728 ( 0.000 -1.247 4.251) 4.430 2.792 ( 0.000 -3.115 -3.150) 4.430 2.805 ( 0.000 -2.540 0.179) 2.546 2.880 ( 0.000 -6.928 -3.518) 7.770 3.027 ( 0.000 -1.093 -0.228) 1.116 3.036 ( 0.000 0.678 -1.880) 1.998 3.221 ( 0.000 0.273 0.271) 0.384 3.250 ( 0.000 0.825 -2.092) 2.248 3.290 ( 0.000 1.527 -0.057) 1.528 3.291 ( 0.000 1.682 -0.452) 1.741 6.576 ( 0.000 0.980 2.054) 2.276 6.609 ( 0.000 0.266 -0.773) 0.818 6.638 ( 0.000 -0.353 0.495) 0.608 6.673 ( 0.000 -1.192 -3.575) 3.768 6.844 ( 0.000 -1.162 0.947) 1.499 6.861 ( 0.000 -1.818 -0.828) 1.997 6.899 ( 0.000 -3.032 1.612) 3.434 6.925 ( 0.000 -3.033 -1.038) 3.206 7.625 ( 0.000 0.800 0.470) 0.928 7.634 ( 0.000 0.770 -0.386) 0.861 7.684 ( 0.000 -0.152 0.515) 0.537 7.691 ( 0.000 -0.423 -0.229) 0.481 9.276 ( 0.000 -1.151 0.389) 1.215 9.291 ( 0.000 -1.440 -1.212) 1.882 9.308 ( 0.000 -1.160 0.480) 1.255 9.325 ( 0.000 -1.536 -1.288) 2.004 11.953 ( 0.000 5.383 2.624) 5.988 12.011 ( 0.000 3.985 -3.076) 5.034 12.164 ( 0.000 3.096 1.530) 3.453 12.207 ( 0.000 3.332 -3.204) 4.623 12.332 ( 0.000 0.543 -0.417) 0.685 12.334 ( 0.000 -0.006 -0.471) 0.471 12.522 ( 0.000 0.295 0.691) 0.751 12.529 ( 0.000 1.206 0.221) 1.226 12.911 ( 0.000 0.402 -0.078) 0.410 12.911 ( 0.000 0.814 -0.063) 0.817 13.093 ( 0.000 -1.473 -0.031) 1.474 13.098 ( 0.000 -1.435 -0.444) 1.502 13.144 ( 0.000 2.080 0.102) 2.082 13.150 ( 0.000 1.757 -0.672) 1.881 13.270 ( 0.000 -0.722 1.457) 1.626 13.290 ( 0.000 -1.293 -0.696) 1.469 14.543 ( 0.000 0.542 0.330) 0.635 14.552 ( 0.000 0.401 -0.552) 0.682 14.700 ( 0.000 -2.597 1.121) 2.829 14.723 ( 0.000 -3.652 -1.285) 3.871 16.085 ( 0.000 -4.251 9.867) 10.744 16.336 ( 0.000 -4.858 -15.833) 16.561 16.978 ( 0.000 9.756 3.249) 10.283 17.007 ( 0.000 7.204 1.389) 7.337 17.264 ( 0.000 6.435 5.484) 8.455 17.393 ( 0.000 1.043 -7.366) 7.440 19.418 ( 0.000 -6.637 22.663) 23.615 19.782 ( 0.000 -11.647 -16.016) 19.803 22.094 ( 0.000 -0.007 0.695) 0.695 22.105 ( 0.000 -0.296 -0.482) 0.566 22.656 ( 0.000 -2.620 1.913) 3.243 22.693 ( 0.000 -3.274 -2.029) 3.852 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.20 0.25 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 1.242 7.121 5.911) 9.338 0.928 ( 2.478 7.702 2.308) 8.414 0.962 ( -0.019 3.459 3.035) 4.602 1.033 ( 1.180 3.094 -2.591) 4.205 1.125 ( 1.630 2.236 1.684) 3.239 1.185 ( 1.632 -0.492 -3.849) 4.209 1.223 ( -4.910 4.374 -0.543) 6.598 1.232 ( -3.129 3.087 -0.685) 4.448 1.387 ( -0.350 1.083 -1.318) 1.741 1.400 ( -1.469 1.323 -2.304) 3.036 1.604 ( -5.064 -0.170 3.282) 6.037 1.648 ( -5.619 -1.103 -1.843) 6.016 1.835 ( 0.775 -2.450 3.788) 4.578 1.855 ( 1.868 -2.717 0.915) 3.422 1.910 ( -1.327 1.922 4.234) 4.835 1.972 ( 0.519 5.392 0.167) 5.420 2.070 ( 2.012 0.616 5.753) 6.126 2.132 ( 1.213 1.778 1.009) 2.377 2.163 ( 2.389 1.113 6.634) 7.138 2.238 ( 3.062 -3.873 2.749) 5.651 2.286 ( 2.939 -1.490 -0.077) 3.296 2.357 ( 0.734 2.451 -5.320) 5.904 2.462 ( -2.670 2.410 3.775) 5.215 2.475 ( 0.100 1.494 -0.991) 1.796 2.560 ( -1.298 -0.107 0.466) 1.383 2.607 ( -1.292 -2.250 -1.355) 2.927 2.718 ( -1.012 -1.973 5.346) 5.787 2.791 ( -0.513 -4.295 -2.174) 4.841 2.796 ( -0.222 -0.852 -0.820) 1.203 2.860 ( -1.672 -4.186 -3.836) 5.919 3.032 ( 0.782 -1.063 0.476) 1.403 3.055 ( 1.064 -1.554 -2.006) 2.752 3.231 ( 0.800 0.516 0.706) 1.185 3.260 ( 1.023 0.514 -1.946) 2.258 3.283 ( -0.432 1.845 0.403) 1.937 3.297 ( 0.274 1.322 -1.198) 1.805 6.576 ( 0.037 0.871 1.760) 1.964 6.600 ( -0.698 0.324 -0.170) 0.788 6.650 ( 0.919 -0.362 -0.200) 1.007 6.675 ( 0.179 -0.968 -3.122) 3.274 6.847 ( 0.307 -1.376 1.027) 1.744 6.865 ( 0.436 -1.989 -0.889) 2.222 6.892 ( -0.694 -2.888 1.585) 3.367 6.917 ( -0.720 -2.955 -1.053) 3.219 7.626 ( 0.073 0.788 0.425) 0.898 7.633 ( -0.072 0.766 -0.266) 0.814 7.684 ( 0.021 -0.195 0.406) 0.451 7.690 ( -0.102 -0.407 -0.198) 0.464 9.277 ( 0.143 -1.194 0.341) 1.250 9.289 ( -0.152 -1.424 -0.776) 1.629 9.310 ( 0.220 -1.210 0.025) 1.230 9.324 ( -0.113 -1.507 -1.221) 1.943 11.959 ( 0.590 5.548 2.199) 5.997 12.009 ( -0.229 4.668 -2.770) 5.432 12.144 ( -1.535 1.850 1.179) 2.678 12.175 ( -2.360 1.945 -2.249) 3.796 12.358 ( 2.593 0.450 0.787) 2.747 12.382 ( 3.409 1.518 -1.727) 4.112 12.507 ( -1.341 0.557 1.136) 1.844 12.524 ( -0.672 1.212 -0.407) 1.445 12.910 ( 0.020 0.568 0.070) 0.573 12.912 ( 0.060 0.680 -0.154) 0.700 13.088 ( -0.367 -1.682 -0.083) 1.724 13.093 ( -0.472 -1.653 -0.510) 1.793 13.150 ( 0.525 1.900 0.029) 1.971 13.155 ( 0.432 1.733 -0.615) 1.889 13.271 ( 0.097 -0.760 1.293) 1.503 13.287 ( -0.248 -1.244 -0.490) 1.360 14.548 ( 0.704 0.516 0.896) 1.250 14.567 ( 1.239 -0.042 -1.005) 1.596 14.685 ( -1.424 -2.642 1.300) 3.271 14.710 ( -1.315 -3.568 -1.332) 4.029 16.099 ( 1.411 -2.852 7.604) 8.243 16.289 ( -3.883 -2.484 -11.504) 12.393 16.932 ( -2.143 -0.784 2.547) 3.420 17.014 ( -2.081 -0.512 -6.012) 6.382 17.395 ( 13.395 13.660 8.920) 21.109 17.526 ( 11.797 11.418 -4.854) 17.121 19.255 ( -14.770 -5.030 18.371) 24.103 19.510 ( -23.972 -7.320 -8.418) 26.441 22.181 ( 6.985 -1.559 1.069) 7.236 22.208 ( 9.650 -2.434 -2.001) 10.151 22.616 ( -3.829 -2.798 2.443) 5.335 22.666 ( -2.874 -3.695 -2.745) 5.427 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.40 0.25 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.349 3.148 3.654) 4.836 0.912 ( -1.083 1.718 2.257) 3.037 1.044 ( 4.236 5.620 4.105) 8.148 1.074 ( 2.288 2.052 -0.485) 3.111 1.120 ( -3.247 4.620 2.977) 6.384 1.141 ( -1.497 3.595 1.090) 4.044 1.194 ( 0.239 4.240 -3.900) 5.765 1.211 ( -0.048 1.870 -4.180) 4.579 1.370 ( -0.560 2.749 -1.582) 3.221 1.376 ( -0.846 2.646 -2.080) 3.470 1.522 ( -2.040 -1.290 1.415) 2.798 1.546 ( -3.951 -1.156 -1.327) 4.325 1.836 ( 0.119 -2.456 2.055) 3.204 1.853 ( -1.461 -2.643 0.230) 3.028 1.925 ( 2.127 2.218 2.454) 3.933 1.962 ( -1.383 2.782 -1.075) 3.288 2.123 ( 2.798 1.453 6.745) 7.445 2.154 ( 0.041 -0.029 2.425) 2.426 2.223 ( 3.732 0.571 8.733) 9.514 2.298 ( -2.473 0.087 6.112) 6.594 2.308 ( 3.210 -2.937 1.926) 4.758 2.355 ( -1.711 -0.262 1.330) 2.183 2.433 ( 1.605 2.598 -2.317) 3.834 2.474 ( -1.069 2.943 -1.350) 3.410 2.549 ( -0.000 0.665 -1.466) 1.610 2.570 ( -1.592 0.257 -3.432) 3.792 2.709 ( 0.842 -3.707 2.884) 4.772 2.752 ( -2.759 -5.259 -0.679) 5.977 2.811 ( 1.014 -1.262 -2.061) 2.621 2.831 ( -1.093 -0.921 -3.337) 3.630 3.052 ( 1.023 -2.441 0.336) 2.667 3.065 ( -0.135 -2.893 -0.979) 3.057 3.250 ( 1.072 1.512 1.049) 2.130 3.270 ( -0.822 1.980 0.357) 2.173 3.284 ( 1.066 0.327 -1.535) 1.897 3.298 ( -0.288 0.714 -1.734) 1.897 6.579 ( 0.264 0.666 1.146) 1.351 6.587 ( -0.555 0.477 0.487) 0.879 6.668 ( 0.718 -0.403 -1.115) 1.386 6.677 ( -0.150 -0.591 -2.149) 2.234 6.857 ( 0.725 -1.908 1.241) 2.389 6.874 ( -0.967 -2.494 1.458) 3.047 6.878 ( 0.892 -2.361 -0.995) 2.713 6.899 ( -1.070 -2.728 -1.064) 3.117 7.628 ( 0.125 0.767 0.274) 0.824 7.631 ( -0.124 0.760 0.011) 0.770 7.685 ( 0.085 -0.285 0.154) 0.335 7.688 ( -0.135 -0.361 -0.078) 0.393 9.281 ( 0.217 -1.291 0.169) 1.320 9.286 ( -0.214 -1.378 -0.189) 1.407 9.315 ( 0.270 -1.316 -0.603) 1.473 9.320 ( -0.213 -1.427 -1.008) 1.760 11.977 ( 1.106 5.971 0.855) 6.132 11.998 ( -0.912 5.946 -1.293) 6.153 12.122 ( -0.298 0.175 0.272) 0.440 12.135 ( -1.482 0.410 -1.071) 1.874 12.416 ( 3.004 0.911 1.416) 3.443 12.449 ( 3.006 2.133 -1.738) 4.075 12.471 ( -2.263 0.536 1.378) 2.703 12.499 ( -1.880 1.548 -1.265) 2.744 12.911 ( 0.075 0.608 0.083) 0.618 12.912 ( -0.027 0.672 -0.057) 0.675 13.083 ( -0.115 -2.061 -0.289) 2.085 13.084 ( -0.294 -2.043 -0.468) 2.116 13.160 ( 0.345 1.697 -0.208) 1.744 13.162 ( 0.154 1.672 -0.446) 1.737 13.274 ( 0.261 -0.889 0.788) 1.217 13.281 ( -0.364 -1.090 0.078) 1.151 14.571 ( 1.450 0.089 1.154) 1.856 14.588 ( 0.363 -0.273 -0.501) 0.676 14.658 ( -0.538 -2.926 0.703) 3.057 14.676 ( -1.780 -3.319 -1.106) 3.925 16.142 ( 2.881 -0.336 2.221) 3.653 16.209 ( -3.812 0.097 -4.434) 5.848 16.912 ( 0.423 -8.302 -1.388) 8.428 16.951 ( -3.236 -9.111 -5.537) 11.142 17.709 ( 14.134 23.325 5.751) 27.873 17.769 ( 8.773 22.543 -0.652) 24.199 18.950 ( -11.163 -4.991 10.832) 16.336 19.023 ( -19.163 -4.874 3.372) 20.059 22.344 ( 8.610 -3.132 2.843) 9.593 22.407 ( 8.888 -4.852 -3.722) 10.789 22.511 ( -6.253 -2.965 2.715) 7.434 22.575 ( -6.266 -4.406 -3.874) 8.584 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.38 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.000 0.133 4.876) 4.878 1.064 ( 0.000 3.179 -2.606) 4.111 1.084 ( 0.000 0.891 2.721) 2.863 1.088 ( 0.000 10.071 5.830) 11.637 1.159 ( 0.000 2.039 -3.103) 3.713 1.167 ( 0.000 6.385 -1.599) 6.582 1.322 ( 0.000 1.883 4.511) 4.888 1.386 ( 0.000 3.935 -3.024) 4.963 1.412 ( 0.000 1.864 -0.639) 1.971 1.430 ( 0.000 -0.223 -1.903) 1.916 1.672 ( 0.000 -1.034 2.850) 3.032 1.707 ( 0.000 -2.042 -1.370) 2.459 1.742 ( 0.000 -1.568 1.712) 2.321 1.755 ( 0.000 -2.160 0.548) 2.228 1.972 ( 0.000 -0.186 1.218) 1.232 1.991 ( 0.000 -1.348 -0.601) 1.476 2.077 ( 0.000 1.489 3.098) 3.437 2.120 ( 0.000 -0.675 -0.686) 0.962 2.188 ( 0.000 2.793 4.516) 5.310 2.230 ( 0.000 0.844 -0.603) 1.037 2.241 ( 0.000 4.736 11.342) 12.291 2.381 ( 0.000 -0.117 1.135) 1.141 2.520 ( 0.000 3.920 -4.575) 6.024 2.524 ( 0.000 1.465 0.681) 1.615 2.546 ( 0.000 -3.328 4.772) 5.818 2.567 ( 0.000 -1.979 -1.032) 2.232 2.678 ( 0.000 -3.392 1.010) 3.539 2.723 ( 0.000 -4.991 -2.083) 5.408 2.794 ( 0.000 1.447 -2.146) 2.588 2.799 ( 0.000 0.448 -2.461) 2.502 2.991 ( 0.000 -1.930 1.007) 2.177 3.020 ( 0.000 -2.099 -1.955) 2.868 3.237 ( 0.000 0.914 0.872) 1.263 3.260 ( 0.000 0.020 -1.326) 1.326 3.321 ( 0.000 1.241 0.209) 1.259 3.322 ( 0.000 1.287 0.099) 1.291 6.589 ( 0.000 0.403 0.273) 0.486 6.611 ( 0.000 -0.199 -1.174) 1.191 6.629 ( 0.000 -0.480 -0.070) 0.485 6.641 ( 0.000 -1.558 -2.039) 2.566 6.818 ( 0.000 -1.238 0.584) 1.369 6.824 ( 0.000 -1.595 -0.044) 1.595 6.861 ( 0.000 -0.601 1.321) 1.451 6.880 ( 0.000 -1.317 -0.589) 1.442 7.640 ( 0.000 0.604 0.393) 0.721 7.647 ( 0.000 0.449 -0.322) 0.552 7.681 ( 0.000 -0.154 0.200) 0.252 7.682 ( 0.000 -0.371 0.062) 0.377 9.263 ( 0.000 -0.130 -0.063) 0.144 9.271 ( 0.000 -0.499 -0.912) 1.040 9.285 ( 0.000 -0.982 -0.011) 0.982 9.293 ( 0.000 -1.415 -0.885) 1.668 12.034 ( 0.000 2.420 1.356) 2.774 12.057 ( 0.000 0.989 -1.015) 1.417 12.244 ( 0.000 3.555 0.278) 3.566 12.263 ( 0.000 1.311 -1.588) 2.059 12.346 ( 0.000 1.758 0.708) 1.895 12.375 ( 0.000 3.186 -2.180) 3.860 12.533 ( 0.000 0.602 1.641) 1.748 12.544 ( 0.000 0.097 0.617) 0.625 12.910 ( 0.000 -0.024 -0.365) 0.366 12.915 ( 0.000 -0.065 -0.788) 0.791 13.055 ( 0.000 -2.005 -0.297) 2.027 13.058 ( 0.000 -2.270 -0.404) 2.306 13.189 ( 0.000 1.896 -0.077) 1.897 13.190 ( 0.000 2.162 -0.018) 2.162 13.251 ( 0.000 -1.088 0.872) 1.395 13.262 ( 0.000 -1.420 -0.252) 1.443 14.551 ( 0.000 0.220 0.244) 0.329 14.557 ( 0.000 0.082 -0.401) 0.409 14.665 ( 0.000 -0.959 -0.214) 0.982 14.668 ( 0.000 -1.599 -0.643) 1.724 16.009 ( 0.000 -1.932 3.133) 3.681 16.183 ( 0.000 -8.476 -14.733) 16.997 17.056 ( 0.000 -1.018 6.036) 6.121 17.102 ( 0.000 -0.581 0.956) 1.119 17.417 ( 0.000 7.001 1.527) 7.166 17.419 ( 0.000 4.005 1.686) 4.346 19.370 ( 0.000 1.581 12.652) 12.750 19.582 ( 0.000 -7.865 -9.658) 12.456 22.094 ( 0.000 0.023 0.412) 0.413 22.099 ( 0.000 -0.253 -0.155) 0.296 22.613 ( 0.000 -1.386 1.005) 1.712 22.633 ( 0.000 -2.326 -1.189) 2.612 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.20 0.38 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.123 1.902 4.404) 4.799 1.040 ( -1.180 6.887 0.227) 6.991 1.093 ( 0.699 1.740 1.357) 2.314 1.129 ( 2.844 5.043 3.290) 6.659 1.155 ( 0.281 2.597 -1.817) 3.182 1.192 ( 1.581 3.095 -2.258) 4.145 1.312 ( -1.124 2.543 3.579) 4.532 1.332 ( -3.981 5.085 0.402) 6.470 1.418 ( -0.734 0.466 -1.819) 2.016 1.428 ( 0.677 1.741 -2.594) 3.197 1.591 ( -5.407 -1.203 1.877) 5.849 1.625 ( -5.113 -1.617 -1.640) 5.607 1.796 ( 1.294 -0.842 1.525) 2.169 1.807 ( 3.104 -0.988 0.328) 3.273 1.947 ( -0.822 1.114 3.014) 3.316 2.001 ( 0.666 -2.287 -2.395) 3.378 2.095 ( 0.970 1.726 1.282) 2.358 2.117 ( -0.189 -0.541 -0.722) 0.922 2.186 ( 1.128 -0.085 6.465) 6.564 2.251 ( 1.635 4.591 10.206) 11.309 2.264 ( 1.360 -1.063 0.747) 1.881 2.382 ( 0.375 0.521 1.711) 1.827 2.486 ( -2.819 -0.303 4.581) 5.388 2.524 ( -0.289 0.770 -0.904) 1.222 2.557 ( 0.852 0.203 -0.252) 0.911 2.579 ( 1.166 1.213 -2.969) 3.412 2.670 ( -0.705 -2.556 0.783) 2.765 2.704 ( -1.361 -3.802 -2.807) 4.918 2.799 ( 0.250 1.259 -1.172) 1.738 2.818 ( 1.347 0.133 -2.484) 2.829 2.984 ( -0.545 -2.900 0.575) 3.007 3.008 ( -1.117 -3.082 -1.910) 3.794 3.247 ( 1.053 0.906 0.841) 1.624 3.268 ( 0.842 0.093 -1.203) 1.472 3.317 ( -0.415 1.289 0.372) 1.404 3.322 ( -0.165 0.965 -0.184) 0.996 6.589 ( 0.043 0.558 0.132) 0.575 6.604 ( -0.434 0.154 -0.856) 0.972 6.637 ( 0.613 -0.883 -0.396) 1.146 6.646 ( 0.381 -1.650 -1.834) 2.496 6.820 ( 0.169 -1.171 0.649) 1.349 6.827 ( 0.312 -1.569 -0.123) 1.604 6.855 ( -0.572 -0.625 1.261) 1.519 6.873 ( -0.662 -1.325 -0.566) 1.585 7.641 ( 0.113 0.659 0.359) 0.760 7.647 ( 0.019 0.560 -0.258) 0.617 7.679 ( -0.157 -0.322 0.214) 0.417 7.681 ( -0.130 -0.403 0.003) 0.423 9.263 ( 0.059 -0.165 -0.105) 0.204 9.270 ( -0.100 -0.454 -0.731) 0.866 9.286 ( 0.120 -1.045 -0.196) 1.070 9.293 ( -0.048 -1.385 -0.841) 1.621 12.043 ( 0.941 2.512 1.240) 2.955 12.066 ( 0.841 1.188 -1.033) 1.785 12.197 ( -3.313 2.671 0.394) 4.273 12.219 ( -3.482 1.612 -1.877) 4.271 12.384 ( 3.054 2.357 1.650) 4.196 12.423 ( 3.309 2.207 -2.286) 4.588 12.523 ( -0.872 0.860 1.954) 2.306 12.542 ( -0.293 0.270 0.167) 0.432 12.912 ( 0.177 0.105 -0.183) 0.275 12.919 ( 0.280 0.237 -0.907) 0.978 13.044 ( -0.950 -2.449 -0.213) 2.635 13.048 ( -0.874 -2.441 -0.649) 2.673 13.191 ( 0.258 1.899 0.044) 1.917 13.194 ( 0.298 1.907 -0.256) 1.947 13.252 ( 0.050 -1.086 0.750) 1.321 13.260 ( -0.136 -1.354 -0.179) 1.372 14.556 ( 0.533 0.195 0.269) 0.628 14.563 ( 0.630 -0.250 -0.491) 0.837 14.647 ( -1.568 -1.072 0.052) 1.900 14.655 ( -1.290 -1.636 -0.856) 2.253 16.057 ( 4.562 -0.400 2.396) 5.168 16.201 ( 1.728 -5.301 -12.307) 13.511 16.868 ( -11.349 -4.174 3.211) 12.512 16.923 ( -12.780 -6.652 -2.519) 14.626 17.661 ( 21.575 10.734 7.251) 25.165 17.731 ( 21.252 7.402 0.018) 22.504 19.223 ( -14.098 1.548 10.961) 17.925 19.382 ( -18.751 -5.186 -5.757) 20.289 22.157 ( 5.606 -0.687 0.522) 5.672 22.170 ( 6.773 -1.315 -0.928) 6.961 22.571 ( -4.098 -1.457 1.245) 4.524 22.598 ( -3.589 -2.692 -1.622) 4.770 ======================= Grid point 152 (57/60) ======================= q-point: ( 0.40 0.38 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 1.672 5.409 3.569) 6.693 1.023 ( -1.026 8.061 1.907) 8.347 1.103 ( 0.848 1.700 -0.658) 2.010 1.141 ( -2.020 4.030 -2.934) 5.378 1.196 ( 2.826 -0.661 1.661) 3.344 1.215 ( 0.688 1.339 -0.234) 1.523 1.276 ( -1.033 5.555 2.636) 6.234 1.282 ( -1.480 2.789 2.641) 4.116 1.411 ( 0.581 1.413 -1.233) 1.963 1.438 ( -0.482 2.787 -3.539) 4.530 1.500 ( -2.152 -1.235 1.624) 2.966 1.532 ( -3.863 -0.620 -1.695) 4.264 1.805 ( 0.261 0.787 0.444) 0.940 1.820 ( -1.021 0.840 -1.297) 1.852 1.972 ( 2.482 0.193 3.045) 3.933 2.006 ( -0.607 -1.269 -0.499) 1.493 2.106 ( 0.355 0.464 0.523) 0.784 2.113 ( -0.279 -0.923 -0.031) 0.965 2.227 ( 2.377 -2.342 5.304) 6.266 2.265 ( -1.071 -3.132 1.533) 3.648 2.306 ( 3.535 3.760 10.385) 11.597 2.374 ( -2.462 2.471 7.095) 7.906 2.454 ( 0.844 -0.707 1.568) 1.916 2.494 ( -2.299 -1.322 0.931) 2.810 2.587 ( 1.526 2.572 -2.889) 4.158 2.598 ( 0.468 1.901 -2.716) 3.348 2.660 ( -0.017 -1.517 0.084) 1.519 2.676 ( -1.382 -2.244 -2.197) 3.431 2.809 ( 0.897 1.405 -1.415) 2.187 2.828 ( -0.522 0.817 -2.788) 2.952 2.976 ( -0.088 -4.571 -0.348) 4.585 2.984 ( -0.941 -4.605 -1.213) 4.854 3.275 ( 1.565 0.934 0.719) 1.960 3.291 ( 1.274 0.197 -0.924) 1.586 3.302 ( -1.086 1.114 0.532) 1.644 3.313 ( -0.809 0.538 -0.567) 1.125 6.592 ( 0.182 0.732 -0.150) 0.769 6.597 ( -0.331 0.589 -0.488) 0.833 6.648 ( 0.439 -1.445 -0.850) 1.733 6.652 ( 0.081 -1.716 -1.378) 2.202 6.827 ( 0.542 -0.965 0.839) 1.389 6.837 ( 0.669 -1.423 -0.241) 1.590 6.841 ( -0.694 -0.792 1.018) 1.465 6.856 ( -0.978 -1.373 -0.476) 1.752 7.644 ( 0.166 0.786 0.229) 0.836 7.647 ( -0.070 0.781 -0.035) 0.784 7.677 ( -0.039 -0.568 0.116) 0.581 7.678 ( -0.153 -0.558 -0.013) 0.579 9.265 ( 0.103 -0.252 -0.231) 0.357 9.267 ( -0.123 -0.359 -0.445) 0.584 9.289 ( 0.138 -1.176 -0.489) 1.281 9.292 ( -0.099 -1.301 -0.710) 1.486 12.072 ( 1.868 2.934 0.829) 3.576 12.089 ( 1.198 2.392 -0.953) 2.840 12.136 ( -2.295 1.300 0.382) 2.666 12.152 ( -2.890 1.019 -1.338) 3.344 12.444 ( 2.707 2.022 1.956) 3.904 12.476 ( 0.874 1.385 -0.726) 1.792 12.505 ( -0.161 1.465 1.261) 1.940 12.528 ( -1.178 0.762 -0.548) 1.507 12.918 ( 0.376 0.585 -0.220) 0.729 12.923 ( -0.032 0.757 -0.685) 1.022 13.027 ( -0.444 -3.183 -0.478) 3.249 13.031 ( -0.694 -3.065 -0.766) 3.235 13.197 ( 0.216 1.726 -0.101) 1.743 13.198 ( 0.072 1.727 -0.271) 1.750 13.253 ( 0.131 -1.111 0.422) 1.196 13.257 ( -0.189 -1.214 0.056) 1.229 14.573 ( 1.092 0.007 0.305) 1.134 14.581 ( 0.911 -0.449 -0.576) 1.168 14.613 ( -1.363 -1.333 0.128) 1.911 14.623 ( -1.680 -1.765 -0.916) 2.603 16.171 ( 5.877 3.681 0.129) 6.936 16.233 ( 0.285 2.599 -5.921) 6.473 16.688 ( -5.419 -12.311 -1.691) 13.557 16.708 ( -7.270 -12.895 -3.595) 15.233 18.130 ( 22.163 16.160 5.545) 27.984 18.169 ( 19.358 14.809 1.545) 24.422 18.874 ( -17.178 -2.319 7.775) 18.998 18.932 ( -22.371 -4.022 1.718) 22.794 22.297 ( 7.831 -1.259 1.232) 8.027 22.329 ( 8.130 -2.709 -2.099) 8.823 22.459 ( -6.643 -1.790 1.345) 7.010 22.493 ( -6.695 -3.306 -2.250) 7.799 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 -0.50 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 -3.165 3.335) 4.597 1.016 ( 0.000 3.165 3.335) 4.597 1.150 ( 0.000 -2.902 -2.453) 3.800 1.150 ( 0.000 2.902 -2.453) 3.800 1.241 ( 0.000 -3.543 2.959) 4.617 1.241 ( 0.000 3.543 2.959) 4.617 1.375 ( 0.000 -4.310 1.140) 4.459 1.375 ( 0.000 4.310 1.140) 4.459 1.437 ( 0.000 -0.107 -1.699) 1.702 1.437 ( 0.000 0.107 -1.699) 1.702 1.651 ( 0.000 -0.909 1.034) 1.377 1.651 ( 0.000 0.909 1.034) 1.377 1.744 ( 0.000 -0.003 1.355) 1.355 1.744 ( 0.000 0.003 1.355) 1.355 1.966 ( 0.000 -0.461 -3.089) 3.123 1.966 ( 0.000 0.461 -3.089) 3.123 2.102 ( 0.000 -1.197 4.487) 4.644 2.102 ( 0.000 1.197 4.487) 4.644 2.230 ( 0.000 -1.011 0.401) 1.088 2.230 ( 0.000 1.011 0.401) 1.088 2.347 ( 0.000 -4.003 8.175) 9.103 2.347 ( 0.000 4.003 8.175) 9.103 2.507 ( 0.000 -0.673 3.553) 3.616 2.507 ( 0.000 0.673 3.553) 3.616 2.578 ( 0.000 -0.576 -3.927) 3.969 2.578 ( 0.000 0.576 -3.927) 3.969 2.638 ( 0.000 -1.851 -2.536) 3.139 2.638 ( 0.000 1.851 -2.536) 3.139 2.821 ( 0.000 -0.108 -2.016) 2.019 2.821 ( 0.000 0.108 -2.016) 2.019 2.974 ( 0.000 -1.140 0.041) 1.141 2.974 ( 0.000 1.140 0.041) 1.141 3.253 ( 0.000 -0.633 0.080) 0.638 3.253 ( 0.000 0.633 0.080) 0.638 3.336 ( 0.000 -0.051 0.126) 0.136 3.336 ( 0.000 0.051 0.126) 0.136 6.599 ( 0.000 -0.698 -1.323) 1.496 6.599 ( 0.000 0.698 -1.323) 1.496 6.624 ( 0.000 -0.131 -0.371) 0.394 6.624 ( 0.000 0.131 -0.371) 0.394 6.805 ( 0.000 -0.122 0.363) 0.383 6.805 ( 0.000 0.122 0.363) 0.383 6.863 ( 0.000 -0.509 0.391) 0.642 6.863 ( 0.000 0.509 0.391) 0.642 7.649 ( 0.000 -0.224 0.047) 0.229 7.649 ( 0.000 0.224 0.047) 0.229 7.679 ( 0.000 -0.019 0.105) 0.107 7.679 ( 0.000 0.019 0.105) 0.107 9.269 ( 0.000 -0.235 -0.464) 0.520 9.269 ( 0.000 0.235 -0.464) 0.520 9.272 ( 0.000 -0.162 -0.506) 0.531 9.272 ( 0.000 0.162 -0.506) 0.531 12.062 ( 0.000 -0.492 0.149) 0.514 12.062 ( 0.000 0.492 0.149) 0.514 12.274 ( 0.000 -0.026 -1.297) 1.297 12.274 ( 0.000 0.026 -1.297) 1.297 12.400 ( 0.000 -1.659 0.518) 1.738 12.400 ( 0.000 1.659 0.518) 1.738 12.540 ( 0.000 -0.141 1.064) 1.073 12.540 ( 0.000 0.141 1.064) 1.073 12.914 ( 0.000 -0.162 -0.829) 0.844 12.914 ( 0.000 0.162 -0.829) 0.844 13.028 ( 0.000 -0.014 -0.406) 0.406 13.028 ( 0.000 0.014 -0.406) 0.406 13.222 ( 0.000 -0.863 0.524) 1.010 13.222 ( 0.000 0.863 0.524) 1.010 13.231 ( 0.000 -1.071 -0.204) 1.090 13.231 ( 0.000 1.071 -0.204) 1.090 14.555 ( 0.000 -0.205 -0.153) 0.255 14.555 ( 0.000 0.205 -0.153) 0.255 14.655 ( 0.000 -0.059 -0.371) 0.376 14.655 ( 0.000 0.059 -0.371) 0.376 16.037 ( 0.000 -4.759 -6.937) 8.412 16.037 ( 0.000 4.759 -6.937) 8.412 17.051 ( 0.000 -1.630 3.876) 4.205 17.051 ( 0.000 1.630 3.876) 4.205 17.489 ( 0.000 -0.548 2.769) 2.822 17.489 ( 0.000 0.548 2.769) 2.822 19.448 ( 0.000 -5.383 0.555) 5.411 19.448 ( 0.000 5.383 0.555) 5.411 22.095 ( 0.000 -0.124 0.124) 0.176 22.095 ( 0.000 0.124 0.124) 0.176 22.603 ( 0.000 -0.508 -0.063) 0.512 22.603 ( 0.000 0.508 -0.063) 0.512 ======================= Grid point 157 (59/60) ======================= q-point: ( 0.20 -0.50 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 1.866 -3.496 2.719) 4.806 1.033 ( 1.866 3.496 2.719) 4.806 1.161 ( 1.092 -2.623 -1.894) 3.415 1.161 ( 1.092 2.623 -1.894) 3.415 1.229 ( -1.251 -3.763 2.543) 4.711 1.229 ( -1.251 3.763 2.543) 4.711 1.353 ( -2.402 -3.306 0.410) 4.107 1.353 ( -2.402 3.306 0.410) 4.107 1.434 ( 0.122 -1.336 -0.649) 1.491 1.434 ( 0.122 1.336 -0.649) 1.491 1.586 ( -4.361 -1.408 0.661) 4.630 1.586 ( -4.361 1.408 0.661) 4.630 1.805 ( 3.875 -0.640 0.965) 4.044 1.805 ( 3.875 0.640 0.965) 4.044 1.954 ( -1.253 -1.125 -2.463) 2.984 1.954 ( -1.253 1.125 -2.463) 2.984 2.119 ( 1.589 -1.377 4.452) 4.923 2.119 ( 1.589 1.377 4.452) 4.923 2.215 ( -1.250 -2.732 0.215) 3.012 2.215 ( -1.250 2.732 0.215) 3.012 2.356 ( 1.026 -4.006 7.546) 8.605 2.356 ( 1.026 4.006 7.546) 8.605 2.486 ( -1.702 -1.585 3.913) 4.552 2.486 ( -1.702 1.585 3.913) 4.552 2.601 ( 1.615 -1.504 -2.879) 3.628 2.601 ( 1.615 1.504 -2.879) 3.628 2.640 ( 0.202 -1.737 -3.151) 3.603 2.640 ( 0.202 1.737 -3.151) 3.603 2.831 ( 0.943 -0.556 -1.640) 1.972 2.831 ( 0.943 0.556 -1.640) 1.972 2.952 ( -2.112 -1.049 -0.376) 2.388 2.952 ( -2.112 1.049 -0.376) 2.388 3.263 ( 0.973 -0.570 0.047) 1.128 3.263 ( 0.973 0.570 0.047) 1.128 3.332 ( -0.441 -0.110 0.106) 0.467 3.332 ( -0.441 0.110 0.106) 0.467 6.603 ( 0.336 -0.597 -1.207) 1.388 6.603 ( 0.336 0.597 -1.207) 1.388 6.624 ( -0.051 -0.134 -0.465) 0.487 6.624 ( -0.051 0.134 -0.465) 0.487 6.808 ( 0.341 -0.166 0.351) 0.516 6.808 ( 0.341 0.166 0.351) 0.516 6.856 ( -0.659 -0.482 0.375) 0.899 6.856 ( -0.659 0.482 0.375) 0.899 7.651 ( 0.224 -0.222 0.047) 0.319 7.651 ( 0.224 0.222 0.047) 0.319 7.676 ( -0.316 -0.098 0.095) 0.345 7.676 ( -0.316 0.098 0.095) 0.345 9.269 ( 0.031 -0.236 -0.469) 0.526 9.269 ( 0.031 0.236 -0.469) 0.526 9.271 ( -0.025 -0.181 -0.503) 0.535 9.271 ( -0.025 0.181 -0.503) 0.535 12.072 ( 1.017 -0.482 0.089) 1.128 12.072 ( 1.017 0.482 0.089) 1.128 12.230 ( -3.458 -0.504 -0.932) 3.617 12.230 ( -3.458 0.504 -0.932) 3.617 12.437 ( 2.753 -1.611 0.508) 3.230 12.437 ( 2.753 1.611 0.508) 3.230 12.536 ( -0.384 -0.543 1.041) 1.235 12.536 ( -0.384 0.543 1.041) 1.235 12.921 ( 0.714 -0.414 -0.863) 1.194 12.921 ( 0.714 0.414 -0.863) 1.194 13.013 ( -1.458 -0.267 -0.499) 1.564 13.013 ( -1.458 0.267 -0.499) 1.564 13.225 ( 0.172 -0.997 0.407) 1.091 13.225 ( 0.172 0.997 0.407) 1.091 13.231 ( -0.016 -1.130 -0.193) 1.146 13.231 ( -0.016 1.130 -0.193) 1.146 14.559 ( 0.408 -0.151 -0.224) 0.490 14.559 ( 0.408 0.151 -0.224) 0.490 14.638 ( -1.512 -0.190 -0.439) 1.586 14.638 ( -1.512 0.190 -0.439) 1.586 16.097 ( 5.968 -4.132 -6.170) 9.527 16.097 ( 5.968 4.132 -6.170) 9.527 16.827 ( -15.584 -1.349 1.454) 15.710 16.827 ( -15.584 1.349 1.454) 15.710 17.794 ( 23.599 -1.740 4.177) 24.029 17.794 ( 23.599 1.741 4.177) 24.029 19.288 ( -15.598 -4.142 1.532) 16.211 19.288 ( -15.598 4.142 1.532) 16.211 22.153 ( 5.505 -0.327 -0.141) 5.517 22.153 ( 5.505 0.327 -0.141) 5.517 22.562 ( -4.066 -0.678 -0.166) 4.126 22.562 ( -4.066 0.678 -0.166) 4.126 ======================= Grid point 159 (60/60) ======================= q-point: ( 0.40 -0.50 0.43) 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 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 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 3.785 -3.792 1.581) 5.586 1.091 ( 3.785 3.792 1.581) 5.586 1.165 ( -2.653 -3.099 0.954) 4.189 1.165 ( -2.653 3.099 0.954) 4.189 1.217 ( 2.071 -2.776 -0.092) 3.465 1.217 ( 2.071 2.776 -0.092) 3.465 1.285 ( -3.995 -2.900 0.205) 4.941 1.285 ( -3.995 2.900 0.205) 4.941 1.454 ( 1.897 -2.157 0.117) 2.874 1.454 ( 1.897 2.157 0.117) 2.874 1.507 ( -3.390 -2.076 0.250) 3.983 1.507 ( -3.390 2.076 0.250) 3.983 1.871 ( 2.768 -1.967 -0.064) 3.396 1.871 ( 2.768 1.967 -0.064) 3.396 1.919 ( -2.142 -2.051 -1.258) 3.222 1.919 ( -2.142 2.051 -1.258) 3.222 2.156 ( 1.899 -2.982 3.482) 4.962 2.156 ( 1.899 2.982 3.482) 4.962 2.189 ( -1.406 -3.554 1.380) 4.064 2.189 ( -1.406 3.554 1.380) 4.064 2.392 ( 2.527 -3.582 6.226) 7.615 2.392 ( 2.527 3.582 6.226) 7.615 2.445 ( -2.481 -2.687 5.116) 6.288 2.445 ( -2.481 2.687 5.116) 6.288 2.627 ( 0.945 -1.440 -2.386) 2.943 2.627 ( 0.945 1.440 -2.386) 2.943 2.640 ( -0.355 -1.543 -3.271) 3.634 2.640 ( -0.355 1.543 -3.271) 3.634 2.858 ( 1.828 -1.075 -1.357) 2.517 2.858 ( 1.828 1.075 -1.357) 2.517 2.902 ( -2.538 -0.893 -1.145) 2.924 2.902 ( -2.538 0.893 -1.145) 2.924 3.289 ( 1.499 -0.410 0.018) 1.554 3.289 ( 1.499 0.410 0.018) 1.554 3.316 ( -1.141 -0.239 0.053) 1.167 3.316 ( -1.141 0.239 0.053) 1.167 6.612 ( 0.490 -0.386 -0.951) 1.138 6.612 ( 0.490 0.386 -0.951) 1.138 6.620 ( -0.327 -0.204 -0.684) 0.785 6.620 ( -0.327 0.204 -0.684) 0.785 6.820 ( 0.816 -0.278 0.335) 0.925 6.820 ( 0.816 0.278 0.335) 0.925 6.839 ( -0.999 -0.401 0.345) 1.130 6.839 ( -0.999 0.401 0.345) 1.130 7.658 ( 0.422 -0.209 0.054) 0.474 7.658 ( 0.422 0.209 0.054) 0.474 7.667 ( -0.479 -0.170 0.074) 0.514 7.667 ( -0.479 0.170 0.074) 0.514 9.270 ( 0.048 -0.233 -0.482) 0.538 9.270 ( 0.048 0.233 -0.482) 0.538 9.271 ( -0.044 -0.214 -0.495) 0.541 9.271 ( -0.044 0.214 -0.495) 0.541 12.104 ( 2.231 -0.472 -0.117) 2.284 12.104 ( 2.231 0.472 -0.117) 2.284 12.160 ( -3.318 -0.495 -0.484) 3.389 12.160 ( -3.318 0.495 -0.484) 3.389 12.488 ( 2.205 -1.428 0.783) 2.741 12.488 ( 2.205 1.428 0.783) 2.741 12.522 ( -1.165 -1.040 0.973) 1.840 12.522 ( -1.165 1.040 0.973) 1.840 12.943 ( 1.468 -0.568 -0.873) 1.800 12.943 ( 1.468 0.568 -0.873) 1.800 12.977 ( -1.909 -0.474 -0.722) 2.096 12.977 ( -1.909 0.474 -0.722) 2.096 13.228 ( 0.158 -1.133 0.147) 1.153 13.228 ( 0.158 1.133 0.147) 1.153 13.230 ( -0.081 -1.169 -0.090) 1.176 13.230 ( -0.081 1.169 -0.090) 1.176 14.574 ( 1.121 -0.178 -0.382) 1.198 14.574 ( 1.121 0.178 -0.382) 1.198 14.603 ( -1.786 -0.262 -0.487) 1.869 14.603 ( -1.786 0.262 -0.487) 1.869 16.268 ( 10.987 -2.677 -4.190) 12.060 16.268 ( 10.987 2.677 -4.190) 12.060 16.524 ( -14.415 -1.250 -1.515) 14.548 16.524 ( -14.415 1.250 -1.515) 14.548 18.319 ( 28.092 -1.161 4.434) 28.463 18.319 ( 28.092 1.161 4.434) 28.463 18.866 ( -25.643 -1.791 3.338) 25.922 18.866 ( -25.643 1.791 3.338) 25.922 22.293 ( 7.985 -0.801 -0.437) 8.037 22.293 ( 7.985 0.801 -0.437) 8.037 22.448 ( -7.126 -0.886 -0.378) 7.191 22.448 ( -7.126 0.886 -0.378) 7.191 =================== 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 3/23520 10.0 3.611 4.373 4.409 0.000 0.000 0.000 3/23520 20.0 0.994 1.392 1.504 0.000 0.000 0.000 3/23520 30.0 0.548 0.784 0.867 0.000 0.000 0.000 3/23520 40.0 0.384 0.557 0.618 0.000 0.000 0.000 3/23520 50.0 0.301 0.444 0.487 0.000 0.000 0.000 3/23520 60.0 0.250 0.377 0.407 0.000 0.000 0.000 3/23520 70.0 0.216 0.333 0.352 0.000 0.000 0.000 3/23520 80.0 0.192 0.300 0.312 0.000 0.000 0.000 3/23520 90.0 0.175 0.276 0.282 0.000 0.000 0.000 3/23520 100.0 0.163 0.257 0.259 0.000 0.000 0.000 3/23520 110.0 0.156 0.243 0.241 0.000 0.000 0.000 3/23520 120.0 0.153 0.232 0.227 0.000 0.000 0.000 3/23520 130.0 0.152 0.225 0.217 0.000 0.000 0.000 3/23520 140.0 0.154 0.219 0.208 0.000 0.000 0.000 3/23520 150.0 0.158 0.215 0.202 0.000 0.000 0.000 3/23520 160.0 0.162 0.212 0.197 0.000 0.000 -0.000 3/23520 170.0 0.168 0.209 0.192 0.000 0.000 -0.000 3/23520 180.0 0.174 0.208 0.189 0.000 0.000 -0.000 3/23520 190.0 0.179 0.206 0.186 0.000 0.000 -0.000 3/23520 200.0 0.185 0.205 0.183 0.000 0.000 -0.000 3/23520 210.0 0.191 0.204 0.181 0.000 0.000 -0.000 3/23520 220.0 0.196 0.203 0.179 0.000 0.000 -0.000 3/23520 230.0 0.200 0.202 0.177 0.000 0.000 -0.000 3/23520 240.0 0.205 0.200 0.175 0.000 0.000 -0.000 3/23520 250.0 0.208 0.199 0.172 0.000 0.000 -0.000 3/23520 260.0 0.212 0.197 0.170 0.000 0.000 -0.000 3/23520 270.0 0.214 0.196 0.168 0.000 0.000 -0.000 3/23520 280.0 0.217 0.194 0.166 0.000 0.000 -0.000 3/23520 290.0 0.218 0.192 0.164 0.000 0.000 -0.000 3/23520 300.0 0.220 0.190 0.162 0.000 0.000 -0.000 3/23520 310.0 0.221 0.188 0.160 0.000 0.000 -0.000 3/23520 320.0 0.222 0.186 0.158 0.000 0.000 -0.000 3/23520 330.0 0.222 0.184 0.156 0.000 0.000 -0.000 3/23520 340.0 0.222 0.182 0.154 0.000 0.000 -0.000 3/23520 350.0 0.222 0.180 0.152 0.000 0.000 -0.000 3/23520 360.0 0.222 0.178 0.150 0.000 0.000 -0.000 3/23520 370.0 0.221 0.176 0.148 0.000 0.000 -0.000 3/23520 380.0 0.220 0.174 0.146 0.000 0.000 -0.000 3/23520 390.0 0.220 0.172 0.144 0.000 0.000 -0.000 3/23520 400.0 0.218 0.169 0.142 0.000 0.000 -0.000 3/23520 410.0 0.217 0.167 0.140 0.000 0.000 -0.000 3/23520 420.0 0.216 0.165 0.138 0.000 0.000 -0.000 3/23520 430.0 0.215 0.163 0.136 0.000 0.000 -0.000 3/23520 440.0 0.213 0.161 0.134 0.000 0.000 -0.000 3/23520 450.0 0.212 0.159 0.132 0.000 0.000 -0.000 3/23520 460.0 0.210 0.157 0.131 0.000 0.000 -0.000 3/23520 470.0 0.209 0.155 0.129 0.000 0.000 -0.000 3/23520 480.0 0.207 0.153 0.127 0.000 0.000 -0.000 3/23520 490.0 0.205 0.151 0.125 0.000 0.000 -0.000 3/23520 500.0 0.204 0.149 0.124 0.000 0.000 -0.000 3/23520 510.0 0.202 0.147 0.122 0.000 0.000 -0.000 3/23520 520.0 0.200 0.145 0.120 0.000 0.000 -0.000 3/23520 530.0 0.198 0.144 0.119 0.000 0.000 -0.000 3/23520 540.0 0.196 0.142 0.117 0.000 0.000 -0.000 3/23520 550.0 0.195 0.140 0.116 0.000 0.000 -0.000 3/23520 560.0 0.193 0.138 0.114 0.000 0.000 -0.000 3/23520 570.0 0.191 0.137 0.113 0.000 0.000 -0.000 3/23520 580.0 0.189 0.135 0.111 0.000 0.000 -0.000 3/23520 590.0 0.188 0.133 0.110 0.000 0.000 -0.000 3/23520 600.0 0.186 0.132 0.109 0.000 0.000 -0.000 3/23520 610.0 0.184 0.130 0.107 0.000 0.000 -0.000 3/23520 620.0 0.182 0.128 0.106 0.000 0.000 -0.000 3/23520 630.0 0.181 0.127 0.105 0.000 0.000 -0.000 3/23520 640.0 0.179 0.125 0.103 0.000 0.000 -0.000 3/23520 650.0 0.177 0.124 0.102 0.000 0.000 -0.000 3/23520 660.0 0.176 0.123 0.101 0.000 0.000 -0.000 3/23520 670.0 0.174 0.121 0.100 0.000 0.000 -0.000 3/23520 680.0 0.172 0.120 0.099 0.000 0.000 -0.000 3/23520 690.0 0.171 0.118 0.097 0.000 0.000 -0.000 3/23520 700.0 0.169 0.117 0.096 0.000 0.000 -0.000 3/23520 710.0 0.167 0.116 0.095 0.000 0.000 -0.000 3/23520 720.0 0.166 0.115 0.094 0.000 0.000 -0.000 3/23520 730.0 0.164 0.113 0.093 0.000 0.000 -0.000 3/23520 740.0 0.163 0.112 0.092 0.000 0.000 -0.000 3/23520 750.0 0.161 0.111 0.091 0.000 0.000 -0.000 3/23520 760.0 0.160 0.110 0.090 0.000 0.000 -0.000 3/23520 770.0 0.158 0.109 0.089 0.000 0.000 -0.000 3/23520 780.0 0.157 0.107 0.088 0.000 0.000 -0.000 3/23520 790.0 0.156 0.106 0.087 0.000 0.000 -0.000 3/23520 800.0 0.154 0.105 0.086 0.000 0.000 -0.000 3/23520 810.0 0.153 0.104 0.085 0.000 0.000 -0.000 3/23520 820.0 0.151 0.103 0.084 0.000 0.000 -0.000 3/23520 830.0 0.150 0.102 0.084 0.000 0.000 -0.000 3/23520 840.0 0.149 0.101 0.083 0.000 0.000 -0.000 3/23520 850.0 0.147 0.100 0.082 0.000 0.000 -0.000 3/23520 860.0 0.146 0.099 0.081 0.000 0.000 -0.000 3/23520 870.0 0.145 0.098 0.080 0.000 0.000 -0.000 3/23520 880.0 0.144 0.097 0.080 0.000 0.000 -0.000 3/23520 890.0 0.142 0.096 0.079 0.000 0.000 -0.000 3/23520 900.0 0.141 0.095 0.078 0.000 0.000 -0.000 3/23520 910.0 0.140 0.094 0.077 0.000 0.000 -0.000 3/23520 920.0 0.139 0.094 0.076 0.000 0.000 -0.000 3/23520 930.0 0.138 0.093 0.076 0.000 0.000 -0.000 3/23520 940.0 0.136 0.092 0.075 0.000 0.000 -0.000 3/23520 950.0 0.135 0.091 0.074 0.000 0.000 -0.000 3/23520 960.0 0.134 0.090 0.074 0.000 0.000 -0.000 3/23520 970.0 0.133 0.089 0.073 0.000 0.000 -0.000 3/23520 980.0 0.132 0.089 0.072 0.000 0.000 -0.000 3/23520 990.0 0.131 0.088 0.072 0.000 0.000 -0.000 3/23520 1000.0 0.130 0.087 0.071 0.000 0.000 -0.000 3/23520 Thermal conductivity related properties were written into "kappa-m587.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:26:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|