----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:03:18]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.018761481349971 0.000000000000000 0.000000000000000 b 0.000000000000000 7.297472460000002 0.000000000000000 c -8.007368571457826 0.000000000000000 13.026542321246858 Atomic positions (fractional): *1 Na 0.83310419306031 0.15007685206731 0.75868651968958 22.990 *2 Na 0.84124712558782 0.83619218722489 0.91950913359790 22.990 3 Na 0.15875287441218 0.33619218722489 0.58049086640210 22.990 4 Na 0.15875287441218 0.16380781277511 0.08049086640210 22.990 *5 Na 0.43769081922463 0.49447574088989 0.25816831666587 22.990 6 Na 0.56230918077537 0.99447574088989 0.24183168333413 22.990 7 Na 0.56230918077537 0.50552425911011 0.74183168333413 22.990 8 Na 0.43769081922463 0.00552425911011 0.75816831666587 22.990 *9 Na 0.08492478235676 0.01610943998515 0.41170196714019 22.990 10 Na 0.91507521764324 0.51610943998515 0.08829803285981 22.990 11 Na 0.91507521764324 0.98389056001485 0.58829803285981 22.990 12 Na 0.08492478235676 0.48389056001485 0.91170196714019 22.990 *13 Na 0.75310628691547 0.46674791294766 0.58467580672534 22.990 14 Na 0.24689371308453 0.96674791294766 0.91532419327466 22.990 15 Na 0.24689371308453 0.53325208705234 0.41532419327466 22.990 16 Na 0.16689580693969 0.65007685206731 0.74131348031042 22.990 17 Na 0.16689580693969 0.84992314793269 0.24131348031042 22.990 18 Na 0.83310419306031 0.34992314793269 0.25868651968958 22.990 19 Na 0.75310628691547 0.03325208705234 0.08467580672534 22.990 20 Na 0.84124712558782 0.66380781277511 0.41950913359790 22.990 *21 P 0.76176103215073 0.23753286342504 0.91882285436625 30.974 *22 P 0.18576499352840 0.23622873860967 0.27209194946473 30.974 23 P 0.81423500647160 0.73622873860967 0.22790805053527 30.974 24 P 0.81423500647160 0.76377126139033 0.72790805053527 30.974 *25 P 0.52219094453774 0.81265308938405 0.43349695995749 30.974 26 P 0.47780905546226 0.31265308938405 0.06650304004251 30.974 27 P 0.47780905546226 0.18734691061595 0.56650304004251 30.974 28 P 0.52219094453774 0.68734691061595 0.93349695995749 30.974 29 P 0.18576499352840 0.26377126139032 0.77209194946473 30.974 30 P 0.23823896784927 0.76246713657496 0.08117714563375 30.974 31 P 0.23823896784927 0.73753286342504 0.58117714563375 30.974 32 P 0.76176103215073 0.26246713657496 0.41882285436625 30.974 *33 Ge 0.48438890168531 0.35754822747029 0.91340165272421 72.640 34 Ge 0.51561109831469 0.85754822747029 0.58659834727579 72.640 35 Ge 0.51561109831469 0.64245177252971 0.08659834727579 72.640 36 Ge 0.48438890168531 0.14245177252971 0.41340165272421 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.018761481349971 0.000000000000000 0.000000000000000 b 0.000000000000000 7.297472460000002 0.000000000000000 c -8.007368571457826 0.000000000000000 13.026542321246858 Atomic positions (fractional): *1 Na 0.83310419306031 0.15007685206731 0.75868651968958 22.990 > 1 *2 Na 0.84124712558782 0.83619218722489 0.91950913359790 22.990 > 2 3 Na 0.15875287441218 0.33619218722489 0.58049086640210 22.990 > 3 4 Na 0.15875287441218 0.16380781277511 0.08049086640210 22.990 > 4 *5 Na 0.43769081922463 0.49447574088989 0.25816831666587 22.990 > 5 6 Na 0.56230918077537 0.99447574088989 0.24183168333413 22.990 > 6 7 Na 0.56230918077537 0.50552425911011 0.74183168333413 22.990 > 7 8 Na 0.43769081922463 0.00552425911011 0.75816831666587 22.990 > 8 *9 Na 0.08492478235676 0.01610943998515 0.41170196714019 22.990 > 9 10 Na 0.91507521764324 0.51610943998515 0.08829803285981 22.990 > 10 11 Na 0.91507521764324 0.98389056001485 0.58829803285981 22.990 > 11 12 Na 0.08492478235676 0.48389056001485 0.91170196714019 22.990 > 12 *13 Na 0.75310628691547 0.46674791294766 0.58467580672534 22.990 > 13 14 Na 0.24689371308453 0.96674791294766 0.91532419327466 22.990 > 14 15 Na 0.24689371308453 0.53325208705234 0.41532419327466 22.990 > 15 16 Na 0.16689580693969 0.65007685206731 0.74131348031042 22.990 > 16 17 Na 0.16689580693969 0.84992314793269 0.24131348031042 22.990 > 17 18 Na 0.83310419306031 0.34992314793269 0.25868651968958 22.990 > 18 19 Na 0.75310628691547 0.03325208705234 0.08467580672534 22.990 > 19 20 Na 0.84124712558782 0.66380781277511 0.41950913359790 22.990 > 20 *21 P 0.76176103215073 0.23753286342504 0.91882285436625 30.974 > 21 *22 P 0.18576499352840 0.23622873860967 0.27209194946473 30.974 > 22 23 P 0.81423500647160 0.73622873860967 0.22790805053527 30.974 > 23 24 P 0.81423500647160 0.76377126139033 0.72790805053527 30.974 > 24 *25 P 0.52219094453774 0.81265308938405 0.43349695995749 30.974 > 25 26 P 0.47780905546226 0.31265308938405 0.06650304004251 30.974 > 26 27 P 0.47780905546226 0.18734691061595 0.56650304004251 30.974 > 27 28 P 0.52219094453774 0.68734691061595 0.93349695995749 30.974 > 28 29 P 0.18576499352840 0.26377126139032 0.77209194946473 30.974 > 29 30 P 0.23823896784927 0.76246713657496 0.08117714563375 30.974 > 30 31 P 0.23823896784927 0.73753286342504 0.58117714563375 30.974 > 31 32 P 0.76176103215073 0.26246713657496 0.41882285436625 30.974 > 32 *33 Ge 0.48438890168531 0.35754822747029 0.91340165272421 72.640 > 33 34 Ge 0.51561109831469 0.85754822747029 0.58659834727579 72.640 > 34 35 Ge 0.51561109831469 0.64245177252971 0.08659834727579 72.640 > 35 36 Ge 0.48438890168531 0.14245177252971 0.41340165272421 72.640 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.037522962699942 0.000000000000000 0.000000000000000 b 0.000000000000000 14.594944920000003 0.000000000000000 c -8.007368571457826 0.000000000000000 13.026542321246858 Atomic positions (fractional): *1 Na 0.41655209653016 0.07503842603366 0.75868651968958 22.990 > 1 2 Na 0.91655209653016 0.07503842603366 0.75868651968958 22.990 > 1 3 Na 0.41655209653016 0.57503842603366 0.75868651968958 22.990 > 1 4 Na 0.91655209653016 0.57503842603366 0.75868651968958 22.990 > 1 *5 Na 0.42062356279391 0.41809609361245 0.91950913359790 22.990 > 2 6 Na 0.92062356279391 0.41809609361245 0.91950913359790 22.990 > 2 7 Na 0.42062356279391 0.91809609361245 0.91950913359790 22.990 > 2 8 Na 0.92062356279391 0.91809609361245 0.91950913359790 22.990 > 2 9 Na 0.07937643720609 0.16809609361245 0.58049086640210 22.990 > 3 10 Na 0.57937643720609 0.16809609361245 0.58049086640210 22.990 > 3 11 Na 0.07937643720609 0.66809609361245 0.58049086640210 22.990 > 3 12 Na 0.57937643720609 0.66809609361245 0.58049086640210 22.990 > 3 13 Na 0.07937643720609 0.08190390638755 0.08049086640210 22.990 > 4 14 Na 0.57937643720609 0.08190390638755 0.08049086640210 22.990 > 4 15 Na 0.07937643720609 0.58190390638755 0.08049086640210 22.990 > 4 16 Na 0.57937643720609 0.58190390638755 0.08049086640210 22.990 > 4 *17 Na 0.21884540961231 0.24723787044495 0.25816831666587 22.990 > 5 18 Na 0.71884540961232 0.24723787044495 0.25816831666587 22.990 > 5 19 Na 0.21884540961231 0.74723787044495 0.25816831666587 22.990 > 5 20 Na 0.71884540961232 0.74723787044495 0.25816831666587 22.990 > 5 21 Na 0.28115459038768 0.49723787044495 0.24183168333413 22.990 > 6 22 Na 0.78115459038768 0.49723787044495 0.24183168333413 22.990 > 6 23 Na 0.28115459038768 0.99723787044495 0.24183168333413 22.990 > 6 24 Na 0.78115459038768 0.99723787044495 0.24183168333413 22.990 > 6 25 Na 0.28115459038768 0.25276212955505 0.74183168333413 22.990 > 7 26 Na 0.78115459038768 0.25276212955505 0.74183168333413 22.990 > 7 27 Na 0.28115459038768 0.75276212955505 0.74183168333413 22.990 > 7 28 Na 0.78115459038768 0.75276212955505 0.74183168333413 22.990 > 7 29 Na 0.21884540961231 0.00276212955505 0.75816831666587 22.990 > 8 30 Na 0.71884540961232 0.00276212955505 0.75816831666587 22.990 > 8 31 Na 0.21884540961231 0.50276212955505 0.75816831666587 22.990 > 8 32 Na 0.71884540961232 0.50276212955505 0.75816831666587 22.990 > 8 *33 Na 0.04246239117838 0.00805471999258 0.41170196714019 22.990 > 9 34 Na 0.54246239117838 0.00805471999258 0.41170196714019 22.990 > 9 35 Na 0.04246239117838 0.50805471999258 0.41170196714019 22.990 > 9 36 Na 0.54246239117838 0.50805471999258 0.41170196714019 22.990 > 9 37 Na 0.45753760882162 0.25805471999258 0.08829803285981 22.990 > 10 38 Na 0.95753760882162 0.25805471999258 0.08829803285981 22.990 > 10 39 Na 0.45753760882162 0.75805471999258 0.08829803285981 22.990 > 10 40 Na 0.95753760882162 0.75805471999258 0.08829803285981 22.990 > 10 41 Na 0.45753760882162 0.49194528000742 0.58829803285981 22.990 > 11 42 Na 0.95753760882162 0.49194528000742 0.58829803285981 22.990 > 11 43 Na 0.45753760882162 0.99194528000742 0.58829803285981 22.990 > 11 44 Na 0.95753760882162 0.99194528000742 0.58829803285981 22.990 > 11 45 Na 0.04246239117838 0.24194528000742 0.91170196714019 22.990 > 12 46 Na 0.54246239117838 0.24194528000742 0.91170196714019 22.990 > 12 47 Na 0.04246239117838 0.74194528000742 0.91170196714019 22.990 > 12 48 Na 0.54246239117838 0.74194528000742 0.91170196714019 22.990 > 12 *49 Na 0.37655314345774 0.23337395647383 0.58467580672534 22.990 > 13 50 Na 0.87655314345774 0.23337395647383 0.58467580672534 22.990 > 13 51 Na 0.37655314345774 0.73337395647383 0.58467580672534 22.990 > 13 52 Na 0.87655314345774 0.73337395647383 0.58467580672534 22.990 > 13 53 Na 0.12344685654226 0.48337395647383 0.91532419327466 22.990 > 14 54 Na 0.62344685654226 0.48337395647383 0.91532419327466 22.990 > 14 55 Na 0.12344685654226 0.98337395647383 0.91532419327466 22.990 > 14 56 Na 0.62344685654226 0.98337395647383 0.91532419327466 22.990 > 14 57 Na 0.12344685654226 0.26662604352617 0.41532419327466 22.990 > 15 58 Na 0.62344685654226 0.26662604352617 0.41532419327466 22.990 > 15 59 Na 0.12344685654226 0.76662604352617 0.41532419327466 22.990 > 15 60 Na 0.62344685654226 0.76662604352617 0.41532419327466 22.990 > 15 61 Na 0.08344790346984 0.32503842603366 0.74131348031042 22.990 > 16 62 Na 0.58344790346984 0.32503842603366 0.74131348031042 22.990 > 16 63 Na 0.08344790346984 0.82503842603366 0.74131348031042 22.990 > 16 64 Na 0.58344790346984 0.82503842603366 0.74131348031042 22.990 > 16 65 Na 0.08344790346984 0.42496157396634 0.24131348031042 22.990 > 17 66 Na 0.58344790346984 0.42496157396634 0.24131348031042 22.990 > 17 67 Na 0.08344790346984 0.92496157396634 0.24131348031042 22.990 > 17 68 Na 0.58344790346984 0.92496157396634 0.24131348031042 22.990 > 17 69 Na 0.41655209653016 0.17496157396634 0.25868651968958 22.990 > 18 70 Na 0.91655209653016 0.17496157396634 0.25868651968958 22.990 > 18 71 Na 0.41655209653016 0.67496157396634 0.25868651968958 22.990 > 18 72 Na 0.91655209653016 0.67496157396634 0.25868651968958 22.990 > 18 73 Na 0.37655314345774 0.01662604352617 0.08467580672534 22.990 > 19 74 Na 0.87655314345774 0.01662604352617 0.08467580672534 22.990 > 19 75 Na 0.37655314345774 0.51662604352617 0.08467580672534 22.990 > 19 76 Na 0.87655314345774 0.51662604352617 0.08467580672534 22.990 > 19 77 Na 0.42062356279391 0.33190390638755 0.41950913359790 22.990 > 20 78 Na 0.92062356279391 0.33190390638755 0.41950913359790 22.990 > 20 79 Na 0.42062356279391 0.83190390638755 0.41950913359790 22.990 > 20 80 Na 0.92062356279391 0.83190390638755 0.41950913359790 22.990 > 20 *81 P 0.38088051607537 0.11876643171252 0.91882285436625 30.974 > 21 82 P 0.88088051607537 0.11876643171252 0.91882285436625 30.974 > 21 83 P 0.38088051607537 0.61876643171252 0.91882285436625 30.974 > 21 84 P 0.88088051607537 0.61876643171252 0.91882285436625 30.974 > 21 *85 P 0.09288249676420 0.11811436930484 0.27209194946473 30.974 > 22 86 P 0.59288249676420 0.11811436930484 0.27209194946473 30.974 > 22 87 P 0.09288249676420 0.61811436930484 0.27209194946473 30.974 > 22 88 P 0.59288249676420 0.61811436930484 0.27209194946473 30.974 > 22 89 P 0.40711750323580 0.36811436930484 0.22790805053527 30.974 > 23 90 P 0.90711750323580 0.36811436930484 0.22790805053527 30.974 > 23 91 P 0.40711750323580 0.86811436930484 0.22790805053527 30.974 > 23 92 P 0.90711750323580 0.86811436930484 0.22790805053527 30.974 > 23 93 P 0.40711750323580 0.38188563069516 0.72790805053527 30.974 > 24 94 P 0.90711750323580 0.38188563069516 0.72790805053527 30.974 > 24 95 P 0.40711750323580 0.88188563069516 0.72790805053527 30.974 > 24 96 P 0.90711750323580 0.88188563069516 0.72790805053527 30.974 > 24 *97 P 0.26109547226887 0.40632654469203 0.43349695995749 30.974 > 25 98 P 0.76109547226887 0.40632654469203 0.43349695995749 30.974 > 25 99 P 0.26109547226887 0.90632654469203 0.43349695995749 30.974 > 25 100 P 0.76109547226887 0.90632654469203 0.43349695995749 30.974 > 25 101 P 0.23890452773113 0.15632654469203 0.06650304004251 30.974 > 26 102 P 0.73890452773113 0.15632654469203 0.06650304004251 30.974 > 26 103 P 0.23890452773113 0.65632654469203 0.06650304004251 30.974 > 26 104 P 0.73890452773113 0.65632654469203 0.06650304004251 30.974 > 26 105 P 0.23890452773113 0.09367345530797 0.56650304004251 30.974 > 27 106 P 0.73890452773113 0.09367345530797 0.56650304004251 30.974 > 27 107 P 0.23890452773113 0.59367345530797 0.56650304004251 30.974 > 27 108 P 0.73890452773113 0.59367345530797 0.56650304004251 30.974 > 27 109 P 0.26109547226887 0.34367345530797 0.93349695995749 30.974 > 28 110 P 0.76109547226887 0.34367345530797 0.93349695995749 30.974 > 28 111 P 0.26109547226887 0.84367345530797 0.93349695995749 30.974 > 28 112 P 0.76109547226887 0.84367345530797 0.93349695995749 30.974 > 28 113 P 0.09288249676420 0.13188563069516 0.77209194946473 30.974 > 29 114 P 0.59288249676420 0.13188563069516 0.77209194946473 30.974 > 29 115 P 0.09288249676420 0.63188563069516 0.77209194946473 30.974 > 29 116 P 0.59288249676420 0.63188563069516 0.77209194946473 30.974 > 29 117 P 0.11911948392463 0.38123356828748 0.08117714563375 30.974 > 30 118 P 0.61911948392463 0.38123356828748 0.08117714563375 30.974 > 30 119 P 0.11911948392463 0.88123356828748 0.08117714563375 30.974 > 30 120 P 0.61911948392463 0.88123356828748 0.08117714563375 30.974 > 30 121 P 0.11911948392463 0.36876643171252 0.58117714563375 30.974 > 31 122 P 0.61911948392463 0.36876643171252 0.58117714563375 30.974 > 31 123 P 0.11911948392463 0.86876643171252 0.58117714563375 30.974 > 31 124 P 0.61911948392463 0.86876643171252 0.58117714563375 30.974 > 31 125 P 0.38088051607537 0.13123356828748 0.41882285436625 30.974 > 32 126 P 0.88088051607537 0.13123356828748 0.41882285436625 30.974 > 32 127 P 0.38088051607537 0.63123356828748 0.41882285436625 30.974 > 32 128 P 0.88088051607537 0.63123356828748 0.41882285436625 30.974 > 32 *129 Ge 0.24219445084265 0.17877411373515 0.91340165272421 72.640 > 33 130 Ge 0.74219445084265 0.17877411373515 0.91340165272421 72.640 > 33 131 Ge 0.24219445084265 0.67877411373515 0.91340165272421 72.640 > 33 132 Ge 0.74219445084265 0.67877411373515 0.91340165272421 72.640 > 33 133 Ge 0.25780554915735 0.42877411373515 0.58659834727579 72.640 > 34 134 Ge 0.75780554915735 0.42877411373515 0.58659834727579 72.640 > 34 135 Ge 0.25780554915735 0.92877411373515 0.58659834727579 72.640 > 34 136 Ge 0.75780554915735 0.92877411373515 0.58659834727579 72.640 > 34 137 Ge 0.25780554915735 0.32122588626485 0.08659834727579 72.640 > 35 138 Ge 0.75780554915735 0.32122588626485 0.08659834727579 72.640 > 35 139 Ge 0.25780554915735 0.82122588626485 0.08659834727579 72.640 > 35 140 Ge 0.75780554915735 0.82122588626485 0.08659834727579 72.640 > 35 141 Ge 0.24219445084265 0.07122588626485 0.41340165272421 72.640 > 36 142 Ge 0.74219445084265 0.07122588626485 0.41340165272421 72.640 > 36 143 Ge 0.24219445084265 0.57122588626485 0.41340165272421 72.640 > 36 144 Ge 0.74219445084265 0.57122588626485 0.41340165272421 72.640 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5043801 0.0000000 -0.0203949 0.0000000 8.5855410 0.0000000 -0.0204580 0.0000000 8.7030732 -------------------------- Born effective charges -------------------------- 1 Na 1.0723523 0.0852090 -0.1880547 0.1535836 0.9272928 0.2344208 0.1809051 0.1814050 0.9746199 2 Na 1.1112963 -0.0992271 0.1925094 0.0913582 1.0476670 -0.1854745 -0.1175610 -0.0094856 0.9913070 3 Na 1.1112963 0.0992271 0.1925094 -0.0913582 1.0476670 0.1854745 -0.1175610 0.0094856 0.9913070 4 Na 1.1112963 -0.0992271 0.1925094 0.0913582 1.0476670 -0.1854745 -0.1175610 -0.0094856 0.9913070 5 Na 0.9524974 0.0644569 -0.3576829 0.0900952 1.1875856 -0.0963094 -0.3093104 -0.1486307 1.2697341 6 Na 0.9524974 -0.0644569 -0.3576829 -0.0900952 1.1875856 0.0963094 -0.3093104 0.1486307 1.2697341 7 Na 0.9524974 0.0644569 -0.3576829 0.0900952 1.1875856 -0.0963094 -0.3093104 -0.1486307 1.2697341 8 Na 0.9524974 -0.0644569 -0.3576829 -0.0900952 1.1875856 0.0963094 -0.3093104 0.1486307 1.2697341 9 Na 1.3946074 0.0122646 0.2069685 0.0472996 0.9225180 0.0753835 0.1557874 0.0832506 1.1542306 10 Na 1.3946074 -0.0122646 0.2069685 -0.0472996 0.9225180 -0.0753835 0.1557874 -0.0832506 1.1542306 11 Na 1.3946074 0.0122646 0.2069685 0.0472996 0.9225180 0.0753835 0.1557874 0.0832506 1.1542306 12 Na 1.3946074 -0.0122646 0.2069685 -0.0472996 0.9225180 -0.0753835 0.1557874 -0.0832506 1.1542306 13 Na 0.9576952 -0.1996205 0.1718055 -0.0105491 1.4980300 0.1162102 0.1551276 0.0035289 1.0919823 14 Na 0.9576952 0.1996205 0.1718055 0.0105491 1.4980300 -0.1162102 0.1551276 -0.0035289 1.0919823 15 Na 0.9576952 -0.1996205 0.1718055 -0.0105491 1.4980300 0.1162102 0.1551276 0.0035289 1.0919823 16 Na 1.0723523 -0.0852090 -0.1880547 -0.1535836 0.9272928 -0.2344208 0.1809051 -0.1814050 0.9746199 17 Na 1.0723523 0.0852090 -0.1880547 0.1535836 0.9272928 0.2344208 0.1809051 0.1814050 0.9746199 18 Na 1.0723523 -0.0852090 -0.1880547 -0.1535836 0.9272928 -0.2344208 0.1809051 -0.1814050 0.9746199 19 Na 0.9576952 0.1996205 0.1718055 0.0105491 1.4980300 -0.1162102 0.1551276 -0.0035289 1.0919823 20 Na 1.1112963 0.0992271 0.1925094 -0.0913582 1.0476670 0.1854745 -0.1175610 0.0094856 0.9913070 21 P -3.4874513 0.5736971 -0.1193543 0.6291234 -2.2715250 0.1000044 0.1218927 -0.0860440 -2.2613561 22 P -2.6711735 0.1484693 -0.5537854 0.1117170 -2.2169994 0.4884641 -0.8711995 0.4311604 -3.0462033 23 P -2.6711735 -0.1484693 -0.5537854 -0.1117170 -2.2169994 -0.4884641 -0.8711995 -0.4311604 -3.0462033 24 P -2.6711735 0.1484693 -0.5537854 0.1117170 -2.2169994 0.4884641 -0.8711995 0.4311604 -3.0462033 25 P -1.9192465 -0.1431668 0.4579429 -0.1993010 -2.8163907 0.4292856 0.5347627 0.5527854 -2.5103850 26 P -1.9192465 0.1431668 0.4579429 0.1993010 -2.8163907 -0.4292856 0.5347627 -0.5527854 -2.5103850 27 P -1.9192465 -0.1431668 0.4579429 -0.1993010 -2.8163907 0.4292856 0.5347627 0.5527854 -2.5103850 28 P -1.9192465 0.1431668 0.4579429 0.1993010 -2.8163907 -0.4292856 0.5347627 -0.5527854 -2.5103850 29 P -2.6711735 -0.1484693 -0.5537854 -0.1117170 -2.2169994 -0.4884641 -0.8711995 -0.4311604 -3.0462033 30 P -3.4874513 0.5736971 -0.1193543 0.6291234 -2.2715250 0.1000044 0.1218927 -0.0860440 -2.2613561 31 P -3.4874513 -0.5736971 -0.1193543 -0.6291234 -2.2715250 -0.1000044 0.1218927 0.0860440 -2.2613561 32 P -3.4874513 -0.5736971 -0.1193543 -0.6291234 -2.2715250 -0.1000044 0.1218927 0.0860440 -2.2613561 33 Ge 2.5894226 -0.6531239 0.1896511 -0.7376562 1.7218217 1.0112324 0.1495954 1.1417890 2.3360704 34 Ge 2.5894226 0.6531239 0.1896511 0.7376562 1.7218217 -1.0112324 0.1495954 -1.1417890 2.3360704 35 Ge 2.5894226 -0.6531239 0.1896511 -0.7376562 1.7218217 1.0112324 0.1495954 1.1417890 2.3360704 36 Ge 2.5894226 0.6531239 0.1896511 0.7376562 1.7218217 -1.0112324 0.1495954 -1.1417890 2.3360704 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.818 Solver_block: 200 / 1120 - Time: 1.611 Solver_block: 300 / 1120 - Time: 1.615 Solver_block: 400 / 1120 - Time: 1.623 Solver_block: 500 / 1120 - Time: 1.620 Solver_block: 600 / 1120 - Time: 1.627 Solver_block: 700 / 1120 - Time: 1.622 Solver_block: 800 / 1120 - Time: 1.623 Solver_block: 900 / 1120 - Time: 1.624 Solver_block: 1000 / 1120 - Time: 1.614 Solver_block: 1100 / 1120 - Time: 1.623 Solver_block: 1120 / 1120 - Time: 0.507 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.030 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zy) 0.00000000 (zy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:04:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:04:42]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.018761481349971 0.000000000000000 0.000000000000000 b 0.000000000000000 7.297472460000002 0.000000000000000 c -8.007368571457826 0.000000000000000 13.026542321246858 Atomic positions (fractional): 1 Na 0.83310419306031 0.15007685206731 0.75868651968958 22.990 2 Na 0.84124712558782 0.83619218722489 0.91950913359790 22.990 3 Na 0.15875287441218 0.33619218722489 0.58049086640210 22.990 4 Na 0.15875287441218 0.16380781277511 0.08049086640210 22.990 5 Na 0.43769081922463 0.49447574088989 0.25816831666587 22.990 6 Na 0.56230918077537 0.99447574088989 0.24183168333413 22.990 7 Na 0.56230918077537 0.50552425911011 0.74183168333413 22.990 8 Na 0.43769081922463 0.00552425911011 0.75816831666587 22.990 9 Na 0.08492478235676 0.01610943998515 0.41170196714019 22.990 10 Na 0.91507521764324 0.51610943998515 0.08829803285981 22.990 11 Na 0.91507521764324 0.98389056001485 0.58829803285981 22.990 12 Na 0.08492478235676 0.48389056001485 0.91170196714019 22.990 13 Na 0.75310628691547 0.46674791294766 0.58467580672534 22.990 14 Na 0.24689371308453 0.96674791294766 0.91532419327466 22.990 15 Na 0.24689371308453 0.53325208705234 0.41532419327466 22.990 16 Na 0.16689580693969 0.65007685206731 0.74131348031042 22.990 17 Na 0.16689580693969 0.84992314793269 0.24131348031042 22.990 18 Na 0.83310419306031 0.34992314793269 0.25868651968958 22.990 19 Na 0.75310628691547 0.03325208705234 0.08467580672534 22.990 20 Na 0.84124712558782 0.66380781277511 0.41950913359790 22.990 21 P 0.76176103215073 0.23753286342504 0.91882285436625 30.974 22 P 0.18576499352840 0.23622873860967 0.27209194946473 30.974 23 P 0.81423500647160 0.73622873860967 0.22790805053527 30.974 24 P 0.81423500647160 0.76377126139033 0.72790805053527 30.974 25 P 0.52219094453774 0.81265308938405 0.43349695995749 30.974 26 P 0.47780905546226 0.31265308938405 0.06650304004251 30.974 27 P 0.47780905546226 0.18734691061595 0.56650304004251 30.974 28 P 0.52219094453774 0.68734691061595 0.93349695995749 30.974 29 P 0.18576499352840 0.26377126139032 0.77209194946473 30.974 30 P 0.23823896784927 0.76246713657496 0.08117714563375 30.974 31 P 0.23823896784927 0.73753286342504 0.58117714563375 30.974 32 P 0.76176103215073 0.26246713657496 0.41882285436625 30.974 33 Ge 0.48438890168531 0.35754822747029 0.91340165272421 72.640 34 Ge 0.51561109831469 0.85754822747029 0.58659834727579 72.640 35 Ge 0.51561109831469 0.64245177252971 0.08659834727579 72.640 36 Ge 0.48438890168531 0.14245177252971 0.41340165272421 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.037522962699942 0.000000000000000 0.000000000000000 b 0.000000000000000 14.594944920000003 0.000000000000000 c -8.007368571457826 0.000000000000000 13.026542321246858 Atomic positions (fractional): 1 Na 0.41655209653016 0.07503842603366 0.75868651968958 22.990 > 1 2 Na 0.91655209653016 0.07503842603366 0.75868651968958 22.990 > 1 3 Na 0.41655209653016 0.57503842603366 0.75868651968958 22.990 > 1 4 Na 0.91655209653016 0.57503842603366 0.75868651968958 22.990 > 1 5 Na 0.42062356279391 0.41809609361245 0.91950913359790 22.990 > 5 6 Na 0.92062356279391 0.41809609361245 0.91950913359790 22.990 > 5 7 Na 0.42062356279391 0.91809609361245 0.91950913359790 22.990 > 5 8 Na 0.92062356279391 0.91809609361245 0.91950913359790 22.990 > 5 9 Na 0.07937643720609 0.16809609361245 0.58049086640210 22.990 > 9 10 Na 0.57937643720609 0.16809609361245 0.58049086640210 22.990 > 9 11 Na 0.07937643720609 0.66809609361245 0.58049086640210 22.990 > 9 12 Na 0.57937643720609 0.66809609361245 0.58049086640210 22.990 > 9 13 Na 0.07937643720609 0.08190390638755 0.08049086640210 22.990 > 13 14 Na 0.57937643720609 0.08190390638755 0.08049086640210 22.990 > 13 15 Na 0.07937643720609 0.58190390638755 0.08049086640210 22.990 > 13 16 Na 0.57937643720609 0.58190390638755 0.08049086640210 22.990 > 13 17 Na 0.21884540961231 0.24723787044495 0.25816831666587 22.990 > 17 18 Na 0.71884540961232 0.24723787044495 0.25816831666587 22.990 > 17 19 Na 0.21884540961231 0.74723787044495 0.25816831666587 22.990 > 17 20 Na 0.71884540961232 0.74723787044495 0.25816831666587 22.990 > 17 21 Na 0.28115459038768 0.49723787044495 0.24183168333413 22.990 > 21 22 Na 0.78115459038768 0.49723787044495 0.24183168333413 22.990 > 21 23 Na 0.28115459038768 0.99723787044495 0.24183168333413 22.990 > 21 24 Na 0.78115459038768 0.99723787044495 0.24183168333413 22.990 > 21 25 Na 0.28115459038768 0.25276212955505 0.74183168333413 22.990 > 25 26 Na 0.78115459038768 0.25276212955505 0.74183168333413 22.990 > 25 27 Na 0.28115459038768 0.75276212955505 0.74183168333413 22.990 > 25 28 Na 0.78115459038768 0.75276212955505 0.74183168333413 22.990 > 25 29 Na 0.21884540961231 0.00276212955505 0.75816831666587 22.990 > 29 30 Na 0.71884540961232 0.00276212955505 0.75816831666587 22.990 > 29 31 Na 0.21884540961231 0.50276212955505 0.75816831666587 22.990 > 29 32 Na 0.71884540961232 0.50276212955505 0.75816831666587 22.990 > 29 33 Na 0.04246239117838 0.00805471999258 0.41170196714019 22.990 > 33 34 Na 0.54246239117838 0.00805471999258 0.41170196714019 22.990 > 33 35 Na 0.04246239117838 0.50805471999258 0.41170196714019 22.990 > 33 36 Na 0.54246239117838 0.50805471999258 0.41170196714019 22.990 > 33 37 Na 0.45753760882162 0.25805471999258 0.08829803285981 22.990 > 37 38 Na 0.95753760882162 0.25805471999258 0.08829803285981 22.990 > 37 39 Na 0.45753760882162 0.75805471999258 0.08829803285981 22.990 > 37 40 Na 0.95753760882162 0.75805471999258 0.08829803285981 22.990 > 37 41 Na 0.45753760882162 0.49194528000742 0.58829803285981 22.990 > 41 42 Na 0.95753760882162 0.49194528000742 0.58829803285981 22.990 > 41 43 Na 0.45753760882162 0.99194528000742 0.58829803285981 22.990 > 41 44 Na 0.95753760882162 0.99194528000742 0.58829803285981 22.990 > 41 45 Na 0.04246239117838 0.24194528000742 0.91170196714019 22.990 > 45 46 Na 0.54246239117838 0.24194528000742 0.91170196714019 22.990 > 45 47 Na 0.04246239117838 0.74194528000742 0.91170196714019 22.990 > 45 48 Na 0.54246239117838 0.74194528000742 0.91170196714019 22.990 > 45 49 Na 0.37655314345774 0.23337395647383 0.58467580672534 22.990 > 49 50 Na 0.87655314345774 0.23337395647383 0.58467580672534 22.990 > 49 51 Na 0.37655314345774 0.73337395647383 0.58467580672534 22.990 > 49 52 Na 0.87655314345774 0.73337395647383 0.58467580672534 22.990 > 49 53 Na 0.12344685654226 0.48337395647383 0.91532419327466 22.990 > 53 54 Na 0.62344685654226 0.48337395647383 0.91532419327466 22.990 > 53 55 Na 0.12344685654226 0.98337395647383 0.91532419327466 22.990 > 53 56 Na 0.62344685654226 0.98337395647383 0.91532419327466 22.990 > 53 57 Na 0.12344685654226 0.26662604352617 0.41532419327466 22.990 > 57 58 Na 0.62344685654226 0.26662604352617 0.41532419327466 22.990 > 57 59 Na 0.12344685654226 0.76662604352617 0.41532419327466 22.990 > 57 60 Na 0.62344685654226 0.76662604352617 0.41532419327466 22.990 > 57 61 Na 0.08344790346984 0.32503842603366 0.74131348031042 22.990 > 61 62 Na 0.58344790346984 0.32503842603366 0.74131348031042 22.990 > 61 63 Na 0.08344790346984 0.82503842603366 0.74131348031042 22.990 > 61 64 Na 0.58344790346984 0.82503842603366 0.74131348031042 22.990 > 61 65 Na 0.08344790346984 0.42496157396634 0.24131348031042 22.990 > 65 66 Na 0.58344790346984 0.42496157396634 0.24131348031042 22.990 > 65 67 Na 0.08344790346984 0.92496157396634 0.24131348031042 22.990 > 65 68 Na 0.58344790346984 0.92496157396634 0.24131348031042 22.990 > 65 69 Na 0.41655209653016 0.17496157396634 0.25868651968958 22.990 > 69 70 Na 0.91655209653016 0.17496157396634 0.25868651968958 22.990 > 69 71 Na 0.41655209653016 0.67496157396634 0.25868651968958 22.990 > 69 72 Na 0.91655209653016 0.67496157396634 0.25868651968958 22.990 > 69 73 Na 0.37655314345774 0.01662604352617 0.08467580672534 22.990 > 73 74 Na 0.87655314345774 0.01662604352617 0.08467580672534 22.990 > 73 75 Na 0.37655314345774 0.51662604352617 0.08467580672534 22.990 > 73 76 Na 0.87655314345774 0.51662604352617 0.08467580672534 22.990 > 73 77 Na 0.42062356279391 0.33190390638755 0.41950913359790 22.990 > 77 78 Na 0.92062356279391 0.33190390638755 0.41950913359790 22.990 > 77 79 Na 0.42062356279391 0.83190390638755 0.41950913359790 22.990 > 77 80 Na 0.92062356279391 0.83190390638755 0.41950913359790 22.990 > 77 81 P 0.38088051607537 0.11876643171252 0.91882285436625 30.974 > 81 82 P 0.88088051607537 0.11876643171252 0.91882285436625 30.974 > 81 83 P 0.38088051607537 0.61876643171252 0.91882285436625 30.974 > 81 84 P 0.88088051607537 0.61876643171252 0.91882285436625 30.974 > 81 85 P 0.09288249676420 0.11811436930484 0.27209194946473 30.974 > 85 86 P 0.59288249676420 0.11811436930484 0.27209194946473 30.974 > 85 87 P 0.09288249676420 0.61811436930484 0.27209194946473 30.974 > 85 88 P 0.59288249676420 0.61811436930484 0.27209194946473 30.974 > 85 89 P 0.40711750323580 0.36811436930484 0.22790805053527 30.974 > 89 90 P 0.90711750323580 0.36811436930484 0.22790805053527 30.974 > 89 91 P 0.40711750323580 0.86811436930484 0.22790805053527 30.974 > 89 92 P 0.90711750323580 0.86811436930484 0.22790805053527 30.974 > 89 93 P 0.40711750323580 0.38188563069516 0.72790805053527 30.974 > 93 94 P 0.90711750323580 0.38188563069516 0.72790805053527 30.974 > 93 95 P 0.40711750323580 0.88188563069516 0.72790805053527 30.974 > 93 96 P 0.90711750323580 0.88188563069516 0.72790805053527 30.974 > 93 97 P 0.26109547226887 0.40632654469203 0.43349695995749 30.974 > 97 98 P 0.76109547226887 0.40632654469203 0.43349695995749 30.974 > 97 99 P 0.26109547226887 0.90632654469203 0.43349695995749 30.974 > 97 100 P 0.76109547226887 0.90632654469203 0.43349695995749 30.974 > 97 101 P 0.23890452773113 0.15632654469203 0.06650304004251 30.974 > 101 102 P 0.73890452773113 0.15632654469203 0.06650304004251 30.974 > 101 103 P 0.23890452773113 0.65632654469203 0.06650304004251 30.974 > 101 104 P 0.73890452773113 0.65632654469203 0.06650304004251 30.974 > 101 105 P 0.23890452773113 0.09367345530797 0.56650304004251 30.974 > 105 106 P 0.73890452773113 0.09367345530797 0.56650304004251 30.974 > 105 107 P 0.23890452773113 0.59367345530797 0.56650304004251 30.974 > 105 108 P 0.73890452773113 0.59367345530797 0.56650304004251 30.974 > 105 109 P 0.26109547226887 0.34367345530797 0.93349695995749 30.974 > 109 110 P 0.76109547226887 0.34367345530797 0.93349695995749 30.974 > 109 111 P 0.26109547226887 0.84367345530797 0.93349695995749 30.974 > 109 112 P 0.76109547226887 0.84367345530797 0.93349695995749 30.974 > 109 113 P 0.09288249676420 0.13188563069516 0.77209194946473 30.974 > 113 114 P 0.59288249676420 0.13188563069516 0.77209194946473 30.974 > 113 115 P 0.09288249676420 0.63188563069516 0.77209194946473 30.974 > 113 116 P 0.59288249676420 0.63188563069516 0.77209194946473 30.974 > 113 117 P 0.11911948392463 0.38123356828748 0.08117714563375 30.974 > 117 118 P 0.61911948392463 0.38123356828748 0.08117714563375 30.974 > 117 119 P 0.11911948392463 0.88123356828748 0.08117714563375 30.974 > 117 120 P 0.61911948392463 0.88123356828748 0.08117714563375 30.974 > 117 121 P 0.11911948392463 0.36876643171252 0.58117714563375 30.974 > 121 122 P 0.61911948392463 0.36876643171252 0.58117714563375 30.974 > 121 123 P 0.11911948392463 0.86876643171252 0.58117714563375 30.974 > 121 124 P 0.61911948392463 0.86876643171252 0.58117714563375 30.974 > 121 125 P 0.38088051607537 0.13123356828748 0.41882285436625 30.974 > 125 126 P 0.88088051607537 0.13123356828748 0.41882285436625 30.974 > 125 127 P 0.38088051607537 0.63123356828748 0.41882285436625 30.974 > 125 128 P 0.88088051607537 0.63123356828748 0.41882285436625 30.974 > 125 129 Ge 0.24219445084265 0.17877411373515 0.91340165272421 72.640 > 129 130 Ge 0.74219445084265 0.17877411373515 0.91340165272421 72.640 > 129 131 Ge 0.24219445084265 0.67877411373515 0.91340165272421 72.640 > 129 132 Ge 0.74219445084265 0.67877411373515 0.91340165272421 72.640 > 129 133 Ge 0.25780554915735 0.42877411373515 0.58659834727579 72.640 > 133 134 Ge 0.75780554915735 0.42877411373515 0.58659834727579 72.640 > 133 135 Ge 0.25780554915735 0.92877411373515 0.58659834727579 72.640 > 133 136 Ge 0.75780554915735 0.92877411373515 0.58659834727579 72.640 > 133 137 Ge 0.25780554915735 0.32122588626485 0.08659834727579 72.640 > 137 138 Ge 0.75780554915735 0.32122588626485 0.08659834727579 72.640 > 137 139 Ge 0.25780554915735 0.82122588626485 0.08659834727579 72.640 > 137 140 Ge 0.75780554915735 0.82122588626485 0.08659834727579 72.640 > 137 141 Ge 0.24219445084265 0.07122588626485 0.41340165272421 72.640 > 141 142 Ge 0.74219445084265 0.07122588626485 0.41340165272421 72.640 > 141 143 Ge 0.24219445084265 0.57122588626485 0.41340165272421 72.640 > 141 144 Ge 0.74219445084265 0.57122588626485 0.41340165272421 72.640 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5043801 0.0000000 -0.0203949 0.0000000 8.5855410 0.0000000 -0.0204580 0.0000000 8.7030732 -------------------------- Born effective charges -------------------------- 1 Na 1.0723523 0.0852090 -0.1880547 0.1535836 0.9272928 0.2344208 0.1809051 0.1814050 0.9746199 2 Na 1.1112963 -0.0992271 0.1925094 0.0913582 1.0476670 -0.1854745 -0.1175610 -0.0094856 0.9913070 3 Na 1.1112963 0.0992271 0.1925094 -0.0913582 1.0476670 0.1854745 -0.1175610 0.0094856 0.9913070 4 Na 1.1112963 -0.0992271 0.1925094 0.0913582 1.0476670 -0.1854745 -0.1175610 -0.0094856 0.9913070 5 Na 0.9524974 0.0644569 -0.3576829 0.0900952 1.1875856 -0.0963094 -0.3093104 -0.1486307 1.2697341 6 Na 0.9524974 -0.0644569 -0.3576829 -0.0900952 1.1875856 0.0963094 -0.3093104 0.1486307 1.2697341 7 Na 0.9524974 0.0644569 -0.3576829 0.0900952 1.1875856 -0.0963094 -0.3093104 -0.1486307 1.2697341 8 Na 0.9524974 -0.0644569 -0.3576829 -0.0900952 1.1875856 0.0963094 -0.3093104 0.1486307 1.2697341 9 Na 1.3946074 0.0122646 0.2069685 0.0472996 0.9225180 0.0753835 0.1557874 0.0832506 1.1542306 10 Na 1.3946074 -0.0122646 0.2069685 -0.0472996 0.9225180 -0.0753835 0.1557874 -0.0832506 1.1542306 11 Na 1.3946074 0.0122646 0.2069685 0.0472996 0.9225180 0.0753835 0.1557874 0.0832506 1.1542306 12 Na 1.3946074 -0.0122646 0.2069685 -0.0472996 0.9225180 -0.0753835 0.1557874 -0.0832506 1.1542306 13 Na 0.9576952 -0.1996205 0.1718055 -0.0105491 1.4980300 0.1162102 0.1551276 0.0035289 1.0919823 14 Na 0.9576952 0.1996205 0.1718055 0.0105491 1.4980300 -0.1162102 0.1551276 -0.0035289 1.0919823 15 Na 0.9576952 -0.1996205 0.1718055 -0.0105491 1.4980300 0.1162102 0.1551276 0.0035289 1.0919823 16 Na 1.0723523 -0.0852090 -0.1880547 -0.1535836 0.9272928 -0.2344208 0.1809051 -0.1814050 0.9746199 17 Na 1.0723523 0.0852090 -0.1880547 0.1535836 0.9272928 0.2344208 0.1809051 0.1814050 0.9746199 18 Na 1.0723523 -0.0852090 -0.1880547 -0.1535836 0.9272928 -0.2344208 0.1809051 -0.1814050 0.9746199 19 Na 0.9576952 0.1996205 0.1718055 0.0105491 1.4980300 -0.1162102 0.1551276 -0.0035289 1.0919823 20 Na 1.1112963 0.0992271 0.1925094 -0.0913582 1.0476670 0.1854745 -0.1175610 0.0094856 0.9913070 21 P -3.4874513 0.5736971 -0.1193543 0.6291234 -2.2715250 0.1000044 0.1218927 -0.0860440 -2.2613561 22 P -2.6711735 0.1484693 -0.5537854 0.1117170 -2.2169994 0.4884641 -0.8711995 0.4311604 -3.0462033 23 P -2.6711735 -0.1484693 -0.5537854 -0.1117170 -2.2169994 -0.4884641 -0.8711995 -0.4311604 -3.0462033 24 P -2.6711735 0.1484693 -0.5537854 0.1117170 -2.2169994 0.4884641 -0.8711995 0.4311604 -3.0462033 25 P -1.9192465 -0.1431668 0.4579429 -0.1993010 -2.8163907 0.4292856 0.5347627 0.5527854 -2.5103850 26 P -1.9192465 0.1431668 0.4579429 0.1993010 -2.8163907 -0.4292856 0.5347627 -0.5527854 -2.5103850 27 P -1.9192465 -0.1431668 0.4579429 -0.1993010 -2.8163907 0.4292856 0.5347627 0.5527854 -2.5103850 28 P -1.9192465 0.1431668 0.4579429 0.1993010 -2.8163907 -0.4292856 0.5347627 -0.5527854 -2.5103850 29 P -2.6711735 -0.1484693 -0.5537854 -0.1117170 -2.2169994 -0.4884641 -0.8711995 -0.4311604 -3.0462033 30 P -3.4874513 0.5736971 -0.1193543 0.6291234 -2.2715250 0.1000044 0.1218927 -0.0860440 -2.2613561 31 P -3.4874513 -0.5736971 -0.1193543 -0.6291234 -2.2715250 -0.1000044 0.1218927 0.0860440 -2.2613561 32 P -3.4874513 -0.5736971 -0.1193543 -0.6291234 -2.2715250 -0.1000044 0.1218927 0.0860440 -2.2613561 33 Ge 2.5894226 -0.6531239 0.1896511 -0.7376562 1.7218217 1.0112324 0.1495954 1.1417890 2.3360704 34 Ge 2.5894226 0.6531239 0.1896511 0.7376562 1.7218217 -1.0112324 0.1495954 -1.1417890 2.3360704 35 Ge 2.5894226 -0.6531239 0.1896511 -0.7376562 1.7218217 1.0112324 0.1495954 1.1417890 2.3360704 36 Ge 2.5894226 0.6531239 0.1896511 0.7376562 1.7218217 -1.0112324 0.1495954 -1.1417890 2.3360704 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 5, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 129, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:05:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:05:44]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.018761481349971 0.000000000000000 0.000000000000000 b 0.000000000000000 7.297472460000002 0.000000000000000 c -8.007368571457826 0.000000000000000 13.026542321246858 Atomic positions (fractional): 1 Na 0.83310419306031 0.15007685206731 0.75868651968958 22.990 2 Na 0.84124712558782 0.83619218722489 0.91950913359790 22.990 3 Na 0.15875287441218 0.33619218722489 0.58049086640210 22.990 4 Na 0.15875287441218 0.16380781277511 0.08049086640210 22.990 5 Na 0.43769081922463 0.49447574088989 0.25816831666587 22.990 6 Na 0.56230918077537 0.99447574088989 0.24183168333413 22.990 7 Na 0.56230918077537 0.50552425911011 0.74183168333413 22.990 8 Na 0.43769081922463 0.00552425911011 0.75816831666587 22.990 9 Na 0.08492478235676 0.01610943998515 0.41170196714019 22.990 10 Na 0.91507521764324 0.51610943998515 0.08829803285981 22.990 11 Na 0.91507521764324 0.98389056001485 0.58829803285981 22.990 12 Na 0.08492478235676 0.48389056001485 0.91170196714019 22.990 13 Na 0.75310628691547 0.46674791294766 0.58467580672534 22.990 14 Na 0.24689371308453 0.96674791294766 0.91532419327466 22.990 15 Na 0.24689371308453 0.53325208705234 0.41532419327466 22.990 16 Na 0.16689580693969 0.65007685206731 0.74131348031042 22.990 17 Na 0.16689580693969 0.84992314793269 0.24131348031042 22.990 18 Na 0.83310419306031 0.34992314793269 0.25868651968958 22.990 19 Na 0.75310628691547 0.03325208705234 0.08467580672534 22.990 20 Na 0.84124712558782 0.66380781277511 0.41950913359790 22.990 21 P 0.76176103215073 0.23753286342504 0.91882285436625 30.974 22 P 0.18576499352840 0.23622873860967 0.27209194946473 30.974 23 P 0.81423500647160 0.73622873860967 0.22790805053527 30.974 24 P 0.81423500647160 0.76377126139033 0.72790805053527 30.974 25 P 0.52219094453774 0.81265308938405 0.43349695995749 30.974 26 P 0.47780905546226 0.31265308938405 0.06650304004251 30.974 27 P 0.47780905546226 0.18734691061595 0.56650304004251 30.974 28 P 0.52219094453774 0.68734691061595 0.93349695995749 30.974 29 P 0.18576499352840 0.26377126139032 0.77209194946473 30.974 30 P 0.23823896784927 0.76246713657496 0.08117714563375 30.974 31 P 0.23823896784927 0.73753286342504 0.58117714563375 30.974 32 P 0.76176103215073 0.26246713657496 0.41882285436625 30.974 33 Ge 0.48438890168531 0.35754822747029 0.91340165272421 72.640 34 Ge 0.51561109831469 0.85754822747029 0.58659834727579 72.640 35 Ge 0.51561109831469 0.64245177252971 0.08659834727579 72.640 36 Ge 0.48438890168531 0.14245177252971 0.41340165272421 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.037522962699942 0.000000000000000 0.000000000000000 b 0.000000000000000 14.594944920000003 0.000000000000000 c -8.007368571457826 0.000000000000000 13.026542321246858 Atomic positions (fractional): 1 Na 0.41655209653016 0.07503842603366 0.75868651968958 22.990 > 1 2 Na 0.91655209653016 0.07503842603366 0.75868651968958 22.990 > 1 3 Na 0.41655209653016 0.57503842603366 0.75868651968958 22.990 > 1 4 Na 0.91655209653016 0.57503842603366 0.75868651968958 22.990 > 1 5 Na 0.42062356279391 0.41809609361245 0.91950913359790 22.990 > 5 6 Na 0.92062356279391 0.41809609361245 0.91950913359790 22.990 > 5 7 Na 0.42062356279391 0.91809609361245 0.91950913359790 22.990 > 5 8 Na 0.92062356279391 0.91809609361245 0.91950913359790 22.990 > 5 9 Na 0.07937643720609 0.16809609361245 0.58049086640210 22.990 > 9 10 Na 0.57937643720609 0.16809609361245 0.58049086640210 22.990 > 9 11 Na 0.07937643720609 0.66809609361245 0.58049086640210 22.990 > 9 12 Na 0.57937643720609 0.66809609361245 0.58049086640210 22.990 > 9 13 Na 0.07937643720609 0.08190390638755 0.08049086640210 22.990 > 13 14 Na 0.57937643720609 0.08190390638755 0.08049086640210 22.990 > 13 15 Na 0.07937643720609 0.58190390638755 0.08049086640210 22.990 > 13 16 Na 0.57937643720609 0.58190390638755 0.08049086640210 22.990 > 13 17 Na 0.21884540961231 0.24723787044495 0.25816831666587 22.990 > 17 18 Na 0.71884540961232 0.24723787044495 0.25816831666587 22.990 > 17 19 Na 0.21884540961231 0.74723787044495 0.25816831666587 22.990 > 17 20 Na 0.71884540961232 0.74723787044495 0.25816831666587 22.990 > 17 21 Na 0.28115459038768 0.49723787044495 0.24183168333413 22.990 > 21 22 Na 0.78115459038768 0.49723787044495 0.24183168333413 22.990 > 21 23 Na 0.28115459038768 0.99723787044495 0.24183168333413 22.990 > 21 24 Na 0.78115459038768 0.99723787044495 0.24183168333413 22.990 > 21 25 Na 0.28115459038768 0.25276212955505 0.74183168333413 22.990 > 25 26 Na 0.78115459038768 0.25276212955505 0.74183168333413 22.990 > 25 27 Na 0.28115459038768 0.75276212955505 0.74183168333413 22.990 > 25 28 Na 0.78115459038768 0.75276212955505 0.74183168333413 22.990 > 25 29 Na 0.21884540961231 0.00276212955505 0.75816831666587 22.990 > 29 30 Na 0.71884540961232 0.00276212955505 0.75816831666587 22.990 > 29 31 Na 0.21884540961231 0.50276212955505 0.75816831666587 22.990 > 29 32 Na 0.71884540961232 0.50276212955505 0.75816831666587 22.990 > 29 33 Na 0.04246239117838 0.00805471999258 0.41170196714019 22.990 > 33 34 Na 0.54246239117838 0.00805471999258 0.41170196714019 22.990 > 33 35 Na 0.04246239117838 0.50805471999258 0.41170196714019 22.990 > 33 36 Na 0.54246239117838 0.50805471999258 0.41170196714019 22.990 > 33 37 Na 0.45753760882162 0.25805471999258 0.08829803285981 22.990 > 37 38 Na 0.95753760882162 0.25805471999258 0.08829803285981 22.990 > 37 39 Na 0.45753760882162 0.75805471999258 0.08829803285981 22.990 > 37 40 Na 0.95753760882162 0.75805471999258 0.08829803285981 22.990 > 37 41 Na 0.45753760882162 0.49194528000742 0.58829803285981 22.990 > 41 42 Na 0.95753760882162 0.49194528000742 0.58829803285981 22.990 > 41 43 Na 0.45753760882162 0.99194528000742 0.58829803285981 22.990 > 41 44 Na 0.95753760882162 0.99194528000742 0.58829803285981 22.990 > 41 45 Na 0.04246239117838 0.24194528000742 0.91170196714019 22.990 > 45 46 Na 0.54246239117838 0.24194528000742 0.91170196714019 22.990 > 45 47 Na 0.04246239117838 0.74194528000742 0.91170196714019 22.990 > 45 48 Na 0.54246239117838 0.74194528000742 0.91170196714019 22.990 > 45 49 Na 0.37655314345774 0.23337395647383 0.58467580672534 22.990 > 49 50 Na 0.87655314345774 0.23337395647383 0.58467580672534 22.990 > 49 51 Na 0.37655314345774 0.73337395647383 0.58467580672534 22.990 > 49 52 Na 0.87655314345774 0.73337395647383 0.58467580672534 22.990 > 49 53 Na 0.12344685654226 0.48337395647383 0.91532419327466 22.990 > 53 54 Na 0.62344685654226 0.48337395647383 0.91532419327466 22.990 > 53 55 Na 0.12344685654226 0.98337395647383 0.91532419327466 22.990 > 53 56 Na 0.62344685654226 0.98337395647383 0.91532419327466 22.990 > 53 57 Na 0.12344685654226 0.26662604352617 0.41532419327466 22.990 > 57 58 Na 0.62344685654226 0.26662604352617 0.41532419327466 22.990 > 57 59 Na 0.12344685654226 0.76662604352617 0.41532419327466 22.990 > 57 60 Na 0.62344685654226 0.76662604352617 0.41532419327466 22.990 > 57 61 Na 0.08344790346984 0.32503842603366 0.74131348031042 22.990 > 61 62 Na 0.58344790346984 0.32503842603366 0.74131348031042 22.990 > 61 63 Na 0.08344790346984 0.82503842603366 0.74131348031042 22.990 > 61 64 Na 0.58344790346984 0.82503842603366 0.74131348031042 22.990 > 61 65 Na 0.08344790346984 0.42496157396634 0.24131348031042 22.990 > 65 66 Na 0.58344790346984 0.42496157396634 0.24131348031042 22.990 > 65 67 Na 0.08344790346984 0.92496157396634 0.24131348031042 22.990 > 65 68 Na 0.58344790346984 0.92496157396634 0.24131348031042 22.990 > 65 69 Na 0.41655209653016 0.17496157396634 0.25868651968958 22.990 > 69 70 Na 0.91655209653016 0.17496157396634 0.25868651968958 22.990 > 69 71 Na 0.41655209653016 0.67496157396634 0.25868651968958 22.990 > 69 72 Na 0.91655209653016 0.67496157396634 0.25868651968958 22.990 > 69 73 Na 0.37655314345774 0.01662604352617 0.08467580672534 22.990 > 73 74 Na 0.87655314345774 0.01662604352617 0.08467580672534 22.990 > 73 75 Na 0.37655314345774 0.51662604352617 0.08467580672534 22.990 > 73 76 Na 0.87655314345774 0.51662604352617 0.08467580672534 22.990 > 73 77 Na 0.42062356279391 0.33190390638755 0.41950913359790 22.990 > 77 78 Na 0.92062356279391 0.33190390638755 0.41950913359790 22.990 > 77 79 Na 0.42062356279391 0.83190390638755 0.41950913359790 22.990 > 77 80 Na 0.92062356279391 0.83190390638755 0.41950913359790 22.990 > 77 81 P 0.38088051607537 0.11876643171252 0.91882285436625 30.974 > 81 82 P 0.88088051607537 0.11876643171252 0.91882285436625 30.974 > 81 83 P 0.38088051607537 0.61876643171252 0.91882285436625 30.974 > 81 84 P 0.88088051607537 0.61876643171252 0.91882285436625 30.974 > 81 85 P 0.09288249676420 0.11811436930484 0.27209194946473 30.974 > 85 86 P 0.59288249676420 0.11811436930484 0.27209194946473 30.974 > 85 87 P 0.09288249676420 0.61811436930484 0.27209194946473 30.974 > 85 88 P 0.59288249676420 0.61811436930484 0.27209194946473 30.974 > 85 89 P 0.40711750323580 0.36811436930484 0.22790805053527 30.974 > 89 90 P 0.90711750323580 0.36811436930484 0.22790805053527 30.974 > 89 91 P 0.40711750323580 0.86811436930484 0.22790805053527 30.974 > 89 92 P 0.90711750323580 0.86811436930484 0.22790805053527 30.974 > 89 93 P 0.40711750323580 0.38188563069516 0.72790805053527 30.974 > 93 94 P 0.90711750323580 0.38188563069516 0.72790805053527 30.974 > 93 95 P 0.40711750323580 0.88188563069516 0.72790805053527 30.974 > 93 96 P 0.90711750323580 0.88188563069516 0.72790805053527 30.974 > 93 97 P 0.26109547226887 0.40632654469203 0.43349695995749 30.974 > 97 98 P 0.76109547226887 0.40632654469203 0.43349695995749 30.974 > 97 99 P 0.26109547226887 0.90632654469203 0.43349695995749 30.974 > 97 100 P 0.76109547226887 0.90632654469203 0.43349695995749 30.974 > 97 101 P 0.23890452773113 0.15632654469203 0.06650304004251 30.974 > 101 102 P 0.73890452773113 0.15632654469203 0.06650304004251 30.974 > 101 103 P 0.23890452773113 0.65632654469203 0.06650304004251 30.974 > 101 104 P 0.73890452773113 0.65632654469203 0.06650304004251 30.974 > 101 105 P 0.23890452773113 0.09367345530797 0.56650304004251 30.974 > 105 106 P 0.73890452773113 0.09367345530797 0.56650304004251 30.974 > 105 107 P 0.23890452773113 0.59367345530797 0.56650304004251 30.974 > 105 108 P 0.73890452773113 0.59367345530797 0.56650304004251 30.974 > 105 109 P 0.26109547226887 0.34367345530797 0.93349695995749 30.974 > 109 110 P 0.76109547226887 0.34367345530797 0.93349695995749 30.974 > 109 111 P 0.26109547226887 0.84367345530797 0.93349695995749 30.974 > 109 112 P 0.76109547226887 0.84367345530797 0.93349695995749 30.974 > 109 113 P 0.09288249676420 0.13188563069516 0.77209194946473 30.974 > 113 114 P 0.59288249676420 0.13188563069516 0.77209194946473 30.974 > 113 115 P 0.09288249676420 0.63188563069516 0.77209194946473 30.974 > 113 116 P 0.59288249676420 0.63188563069516 0.77209194946473 30.974 > 113 117 P 0.11911948392463 0.38123356828748 0.08117714563375 30.974 > 117 118 P 0.61911948392463 0.38123356828748 0.08117714563375 30.974 > 117 119 P 0.11911948392463 0.88123356828748 0.08117714563375 30.974 > 117 120 P 0.61911948392463 0.88123356828748 0.08117714563375 30.974 > 117 121 P 0.11911948392463 0.36876643171252 0.58117714563375 30.974 > 121 122 P 0.61911948392463 0.36876643171252 0.58117714563375 30.974 > 121 123 P 0.11911948392463 0.86876643171252 0.58117714563375 30.974 > 121 124 P 0.61911948392463 0.86876643171252 0.58117714563375 30.974 > 121 125 P 0.38088051607537 0.13123356828748 0.41882285436625 30.974 > 125 126 P 0.88088051607537 0.13123356828748 0.41882285436625 30.974 > 125 127 P 0.38088051607537 0.63123356828748 0.41882285436625 30.974 > 125 128 P 0.88088051607537 0.63123356828748 0.41882285436625 30.974 > 125 129 Ge 0.24219445084265 0.17877411373515 0.91340165272421 72.640 > 129 130 Ge 0.74219445084265 0.17877411373515 0.91340165272421 72.640 > 129 131 Ge 0.24219445084265 0.67877411373515 0.91340165272421 72.640 > 129 132 Ge 0.74219445084265 0.67877411373515 0.91340165272421 72.640 > 129 133 Ge 0.25780554915735 0.42877411373515 0.58659834727579 72.640 > 133 134 Ge 0.75780554915735 0.42877411373515 0.58659834727579 72.640 > 133 135 Ge 0.25780554915735 0.92877411373515 0.58659834727579 72.640 > 133 136 Ge 0.75780554915735 0.92877411373515 0.58659834727579 72.640 > 133 137 Ge 0.25780554915735 0.32122588626485 0.08659834727579 72.640 > 137 138 Ge 0.75780554915735 0.32122588626485 0.08659834727579 72.640 > 137 139 Ge 0.25780554915735 0.82122588626485 0.08659834727579 72.640 > 137 140 Ge 0.75780554915735 0.82122588626485 0.08659834727579 72.640 > 137 141 Ge 0.24219445084265 0.07122588626485 0.41340165272421 72.640 > 141 142 Ge 0.74219445084265 0.07122588626485 0.41340165272421 72.640 > 141 143 Ge 0.24219445084265 0.57122588626485 0.41340165272421 72.640 > 141 144 Ge 0.74219445084265 0.57122588626485 0.41340165272421 72.640 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.5043801 0.0000000 -0.0203949 0.0000000 8.5855410 0.0000000 -0.0204580 0.0000000 8.7030732 -------------------------- Born effective charges -------------------------- 1 Na 1.0723523 0.0852090 -0.1880547 0.1535836 0.9272928 0.2344208 0.1809051 0.1814050 0.9746199 2 Na 1.1112963 -0.0992271 0.1925094 0.0913582 1.0476670 -0.1854745 -0.1175610 -0.0094856 0.9913070 3 Na 1.1112963 0.0992271 0.1925094 -0.0913582 1.0476670 0.1854745 -0.1175610 0.0094856 0.9913070 4 Na 1.1112963 -0.0992271 0.1925094 0.0913582 1.0476670 -0.1854745 -0.1175610 -0.0094856 0.9913070 5 Na 0.9524974 0.0644569 -0.3576829 0.0900952 1.1875856 -0.0963094 -0.3093104 -0.1486307 1.2697341 6 Na 0.9524974 -0.0644569 -0.3576829 -0.0900952 1.1875856 0.0963094 -0.3093104 0.1486307 1.2697341 7 Na 0.9524974 0.0644569 -0.3576829 0.0900952 1.1875856 -0.0963094 -0.3093104 -0.1486307 1.2697341 8 Na 0.9524974 -0.0644569 -0.3576829 -0.0900952 1.1875856 0.0963094 -0.3093104 0.1486307 1.2697341 9 Na 1.3946074 0.0122646 0.2069685 0.0472996 0.9225180 0.0753835 0.1557874 0.0832506 1.1542306 10 Na 1.3946074 -0.0122646 0.2069685 -0.0472996 0.9225180 -0.0753835 0.1557874 -0.0832506 1.1542306 11 Na 1.3946074 0.0122646 0.2069685 0.0472996 0.9225180 0.0753835 0.1557874 0.0832506 1.1542306 12 Na 1.3946074 -0.0122646 0.2069685 -0.0472996 0.9225180 -0.0753835 0.1557874 -0.0832506 1.1542306 13 Na 0.9576952 -0.1996205 0.1718055 -0.0105491 1.4980300 0.1162102 0.1551276 0.0035289 1.0919823 14 Na 0.9576952 0.1996205 0.1718055 0.0105491 1.4980300 -0.1162102 0.1551276 -0.0035289 1.0919823 15 Na 0.9576952 -0.1996205 0.1718055 -0.0105491 1.4980300 0.1162102 0.1551276 0.0035289 1.0919823 16 Na 1.0723523 -0.0852090 -0.1880547 -0.1535836 0.9272928 -0.2344208 0.1809051 -0.1814050 0.9746199 17 Na 1.0723523 0.0852090 -0.1880547 0.1535836 0.9272928 0.2344208 0.1809051 0.1814050 0.9746199 18 Na 1.0723523 -0.0852090 -0.1880547 -0.1535836 0.9272928 -0.2344208 0.1809051 -0.1814050 0.9746199 19 Na 0.9576952 0.1996205 0.1718055 0.0105491 1.4980300 -0.1162102 0.1551276 -0.0035289 1.0919823 20 Na 1.1112963 0.0992271 0.1925094 -0.0913582 1.0476670 0.1854745 -0.1175610 0.0094856 0.9913070 21 P -3.4874513 0.5736971 -0.1193543 0.6291234 -2.2715250 0.1000044 0.1218927 -0.0860440 -2.2613561 22 P -2.6711735 0.1484693 -0.5537854 0.1117170 -2.2169994 0.4884641 -0.8711995 0.4311604 -3.0462033 23 P -2.6711735 -0.1484693 -0.5537854 -0.1117170 -2.2169994 -0.4884641 -0.8711995 -0.4311604 -3.0462033 24 P -2.6711735 0.1484693 -0.5537854 0.1117170 -2.2169994 0.4884641 -0.8711995 0.4311604 -3.0462033 25 P -1.9192465 -0.1431668 0.4579429 -0.1993010 -2.8163907 0.4292856 0.5347627 0.5527854 -2.5103850 26 P -1.9192465 0.1431668 0.4579429 0.1993010 -2.8163907 -0.4292856 0.5347627 -0.5527854 -2.5103850 27 P -1.9192465 -0.1431668 0.4579429 -0.1993010 -2.8163907 0.4292856 0.5347627 0.5527854 -2.5103850 28 P -1.9192465 0.1431668 0.4579429 0.1993010 -2.8163907 -0.4292856 0.5347627 -0.5527854 -2.5103850 29 P -2.6711735 -0.1484693 -0.5537854 -0.1117170 -2.2169994 -0.4884641 -0.8711995 -0.4311604 -3.0462033 30 P -3.4874513 0.5736971 -0.1193543 0.6291234 -2.2715250 0.1000044 0.1218927 -0.0860440 -2.2613561 31 P -3.4874513 -0.5736971 -0.1193543 -0.6291234 -2.2715250 -0.1000044 0.1218927 0.0860440 -2.2613561 32 P -3.4874513 -0.5736971 -0.1193543 -0.6291234 -2.2715250 -0.1000044 0.1218927 0.0860440 -2.2613561 33 Ge 2.5894226 -0.6531239 0.1896511 -0.7376562 1.7218217 1.0112324 0.1495954 1.1417890 2.3360704 34 Ge 2.5894226 0.6531239 0.1896511 0.7376562 1.7218217 -1.0112324 0.1495954 -1.1417890 2.3360704 35 Ge 2.5894226 -0.6531239 0.1896511 -0.7376562 1.7218217 1.0112324 0.1495954 1.1417890 2.3360704 36 Ge 2.5894226 0.6531239 0.1896511 0.7376562 1.7218217 -1.0112324 0.1495954 -1.1417890 2.3360704 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) --------------------------- 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 ... [ 7 7 4 ] 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: 0.45, Number of G-points: 291, Lambda: 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 1.564 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 5.011 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 5.992 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.141 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 6.759 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.034 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 8.155 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 9.099 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.204 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.298 ( 0.000 0.000 0.000) 0.000 9.459 ( 0.000 0.000 0.000) 0.000 9.557 ( 0.000 0.000 0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 9.858 ( 0.000 0.000 0.000) 0.000 9.868 ( 0.000 0.000 0.000) 0.000 10.095 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 17.422 0.000 14.954) 22.960 0.609 ( 26.911 0.000 10.161) 28.765 1.023 ( 42.243 0.000 18.331) 46.049 1.388 ( -1.360 0.000 -15.907) 15.965 1.808 ( 8.124 0.000 -14.311) 16.456 1.984 ( -2.316 0.000 1.496) 2.757 1.999 ( -5.934 0.000 -5.663) 8.202 2.276 ( -5.957 0.000 3.888) 7.114 2.316 ( 2.428 0.000 -1.586) 2.900 2.424 ( 0.726 0.000 3.045) 3.130 2.431 ( -3.352 0.000 9.699) 10.262 2.505 ( -2.481 0.000 0.763) 2.595 2.523 ( -2.693 0.000 4.521) 5.262 2.707 ( -6.388 0.000 3.328) 7.203 2.785 ( -4.970 0.000 5.929) 7.737 2.919 ( -0.239 0.000 -5.714) 5.719 2.921 ( 0.571 0.000 1.339) 1.456 2.995 ( -1.946 0.000 -2.258) 2.981 3.017 ( 0.511 0.000 0.428) 0.666 3.193 ( 6.125 0.000 3.632) 7.121 3.194 ( 6.767 0.000 1.523) 6.936 3.277 ( -1.039 0.000 -1.961) 2.219 3.345 ( -3.037 0.000 0.101) 3.038 3.374 ( 1.961 0.000 -2.943) 3.536 3.460 ( -3.885 0.000 -0.179) 3.890 3.489 ( 8.695 0.000 0.793) 8.731 3.608 ( -1.534 0.000 2.160) 2.649 3.629 ( 0.641 0.000 -2.769) 2.843 3.746 ( -0.378 0.000 -2.098) 2.132 3.783 ( 1.714 0.000 0.750) 1.871 3.798 ( -0.855 0.000 -7.599) 7.647 3.815 ( -1.385 0.000 2.997) 3.302 3.866 ( -3.636 0.000 -2.320) 4.313 3.925 ( -0.442 0.000 1.053) 1.141 3.971 ( -3.290 0.000 1.574) 3.647 3.980 ( 3.073 0.000 -5.124) 5.975 4.072 ( 0.992 0.000 -0.969) 1.387 4.118 ( -0.898 0.000 0.221) 0.925 4.146 ( 0.063 0.000 -0.809) 0.812 4.238 ( 5.050 0.000 0.575) 5.082 4.239 ( 2.119 0.000 -1.021) 2.352 4.311 ( -0.220 0.000 1.299) 1.318 4.321 ( 4.262 0.000 0.392) 4.280 4.422 ( 0.940 0.000 5.996) 6.069 4.430 ( -4.245 0.000 -9.102) 10.043 4.439 ( 6.361 0.000 3.900) 7.461 4.491 ( -4.895 0.000 2.685) 5.584 4.569 ( 4.911 0.000 6.704) 8.311 4.668 ( -2.986 0.000 4.204) 5.156 4.709 ( 0.734 0.000 -8.769) 8.799 4.756 ( 2.714 0.000 1.506) 3.104 4.829 ( -6.391 0.000 -2.204) 6.760 4.854 ( 0.912 0.000 -1.064) 1.401 4.894 ( 0.431 0.000 -1.201) 1.276 4.914 ( 2.077 0.000 -1.769) 2.728 4.955 ( 0.229 0.000 1.226) 1.247 4.993 ( -0.018 0.000 1.987) 1.987 5.020 ( -4.811 0.000 -1.765) 5.124 5.097 ( -1.118 0.000 2.090) 2.370 5.106 ( -1.695 0.000 -0.388) 1.739 5.235 ( 2.294 0.000 -0.704) 2.399 5.321 ( 0.118 0.000 0.395) 0.412 5.365 ( -8.022 0.000 -1.678) 8.196 5.427 ( 6.092 0.000 -1.756) 6.340 5.500 ( -3.788 0.000 -2.869) 4.751 5.569 ( 1.987 0.000 -3.341) 3.887 5.645 ( -5.582 0.000 -2.559) 6.141 5.674 ( -0.124 0.000 -1.634) 1.639 5.698 ( -1.974 0.000 1.170) 2.295 5.779 ( -1.403 0.000 2.178) 2.590 5.925 ( 8.186 0.000 -2.783) 8.646 6.050 ( -5.868 0.000 1.702) 6.110 6.094 ( 0.463 0.000 -2.645) 2.685 6.104 ( -9.185 0.000 -2.471) 9.511 6.127 ( 3.158 0.000 0.940) 3.295 6.225 ( -0.619 0.000 5.151) 5.189 6.309 ( -1.541 0.000 -0.542) 1.633 6.319 ( 0.993 0.000 4.379) 4.490 6.373 ( -1.167 0.000 -1.544) 1.935 6.563 ( -0.404 0.000 1.170) 1.238 6.698 ( -0.032 0.000 7.534) 7.534 6.711 ( 1.377 0.000 0.149) 1.385 6.721 ( -1.571 0.000 -2.982) 3.370 6.752 ( -3.950 0.000 0.959) 4.065 6.898 ( 3.252 0.000 0.152) 3.255 6.905 ( -0.608 0.000 2.998) 3.059 7.004 ( 3.252 0.000 0.870) 3.366 7.041 ( -1.805 0.000 2.052) 2.733 7.112 ( -1.172 0.000 -2.204) 2.496 7.163 ( 4.130 0.000 1.086) 4.270 7.227 ( -2.308 0.000 -2.078) 3.106 7.431 ( 3.021 0.000 -3.911) 4.943 8.150 ( -0.200 0.000 -0.394) 0.442 8.223 ( -1.086 0.000 0.342) 1.139 8.271 ( -3.432 0.000 2.974) 4.541 8.402 ( -2.533 0.000 0.351) 2.558 9.133 ( 1.763 0.000 2.219) 2.834 9.156 ( 1.403 0.000 0.173) 1.413 9.204 ( -0.065 0.000 0.591) 0.594 9.272 ( 1.776 0.000 0.154) 1.783 9.278 ( -1.427 0.000 -0.809) 1.640 9.513 ( 4.730 0.000 2.879) 5.538 9.647 ( 1.047 0.000 0.059) 1.049 9.766 ( -9.101 0.000 -1.545) 9.232 9.868 ( 1.632 0.000 -1.468) 2.195 9.892 ( 3.360 0.000 2.071) 3.947 10.111 ( 4.257 0.000 -4.831) 6.439 10.548 ( 0.852 0.000 -4.443) 4.524 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 16.116 0.000 13.785) 21.207 1.135 ( 20.096 0.000 5.214) 20.761 1.379 ( 17.266 0.000 -7.118) 18.675 1.736 ( 16.999 0.000 -5.991) 18.023 1.755 ( -7.679 0.000 -5.337) 9.351 1.810 ( 15.717 0.000 -7.110) 17.250 2.122 ( 3.567 0.000 9.438) 10.090 2.254 ( -3.738 0.000 1.646) 4.084 2.333 ( 1.205 0.000 -4.249) 4.417 2.383 ( -1.049 0.000 1.710) 2.006 2.465 ( -0.433 0.000 1.983) 2.030 2.521 ( -4.079 0.000 3.820) 5.588 2.537 ( -0.927 0.000 10.627) 10.668 2.648 ( -6.116 0.000 11.900) 13.379 2.681 ( -9.851 0.000 1.442) 9.956 2.841 ( 1.272 0.000 -9.677) 9.761 2.934 ( 1.314 0.000 -2.936) 3.217 2.942 ( -2.174 0.000 0.965) 2.379 2.964 ( -8.448 0.000 4.494) 9.569 3.190 ( -0.742 0.000 -3.614) 3.689 3.264 ( -0.064 0.000 -1.368) 1.370 3.289 ( -1.352 0.000 -6.606) 6.743 3.401 ( -0.433 0.000 -0.608) 0.746 3.409 ( 7.980 0.000 4.864) 9.346 3.457 ( 5.455 0.000 -0.164) 5.457 3.551 ( -4.011 0.000 -3.065) 5.048 3.589 ( -1.374 0.000 2.134) 2.538 3.634 ( 1.683 0.000 1.937) 2.566 3.732 ( 2.779 0.000 -0.788) 2.889 3.737 ( -3.164 0.000 -2.564) 4.072 3.805 ( 7.458 0.000 -5.427) 9.223 3.843 ( 2.483 0.000 -1.718) 3.020 3.845 ( 4.354 0.000 0.478) 4.380 3.924 ( -1.914 0.000 3.249) 3.771 3.990 ( 5.144 0.000 -4.325) 6.721 4.000 ( 3.923 0.000 -0.545) 3.960 4.071 ( 0.294 0.000 -1.027) 1.068 4.084 ( -0.907 0.000 -2.172) 2.354 4.127 ( -0.643 0.000 -0.246) 0.689 4.209 ( -5.060 0.000 1.477) 5.271 4.279 ( 0.029 0.000 3.665) 3.665 4.297 ( -0.860 0.000 -0.293) 0.909 4.363 ( 2.141 0.000 2.787) 3.515 4.460 ( -0.618 0.000 3.260) 3.318 4.479 ( 6.363 0.000 3.063) 7.062 4.513 ( 3.061 0.000 0.866) 3.181 4.578 ( 2.762 0.000 1.530) 3.158 4.608 ( -9.342 0.000 -6.614) 11.446 4.640 ( -3.845 0.000 2.021) 4.344 4.674 ( 1.612 0.000 -5.343) 5.581 4.678 ( -0.612 0.000 3.061) 3.121 4.733 ( -2.255 0.000 1.098) 2.508 4.878 ( -1.443 0.000 0.966) 1.737 4.886 ( 2.012 0.000 -1.947) 2.799 4.917 ( -1.892 0.000 -2.709) 3.304 4.950 ( -1.658 0.000 -1.735) 2.399 4.956 ( -0.410 0.000 0.863) 0.955 5.085 ( 2.583 0.000 3.217) 4.126 5.091 ( 0.605 0.000 -1.473) 1.592 5.103 ( 0.420 0.000 5.842) 5.857 5.194 ( -5.007 0.000 -1.355) 5.187 5.236 ( -3.397 0.000 2.253) 4.077 5.307 ( -1.109 0.000 -1.887) 2.189 5.435 ( -3.681 0.000 -6.867) 7.791 5.470 ( 1.764 0.000 -1.774) 2.501 5.530 ( -4.540 0.000 -6.207) 7.690 5.566 ( 0.442 0.000 0.156) 0.469 5.640 ( 3.905 0.000 -3.892) 5.513 5.675 ( -1.557 0.000 1.154) 1.938 5.710 ( -3.865 0.000 0.775) 3.941 5.875 ( -5.075 0.000 0.526) 5.102 5.986 ( -0.793 0.000 0.553) 0.967 6.000 ( -4.791 0.000 -2.963) 5.633 6.143 ( -3.979 0.000 -0.373) 3.996 6.173 ( 8.381 0.000 2.612) 8.779 6.234 ( -5.672 0.000 -2.123) 6.057 6.297 ( -0.990 0.000 7.764) 7.826 6.372 ( 0.585 0.000 3.096) 3.151 6.377 ( 5.614 0.000 -1.411) 5.789 6.597 ( 1.810 0.000 2.608) 3.174 6.638 ( -0.068 0.000 -3.872) 3.872 6.690 ( -2.298 0.000 -0.774) 2.424 6.751 ( 0.413 0.000 3.231) 3.257 6.839 ( 3.072 0.000 3.316) 4.520 6.888 ( -2.065 0.000 -0.101) 2.067 6.930 ( -0.458 0.000 1.235) 1.317 7.017 ( -2.141 0.000 1.415) 2.566 7.040 ( -3.216 0.000 -3.419) 4.694 7.096 ( 3.417 0.000 3.209) 4.688 7.118 ( -4.937 0.000 -1.730) 5.231 7.273 ( 4.763 0.000 0.341) 4.775 7.426 ( 0.489 0.000 -3.274) 3.310 8.142 ( 0.140 0.000 -0.780) 0.792 8.210 ( -0.819 0.000 0.851) 1.182 8.231 ( -3.727 0.000 1.754) 4.119 8.357 ( -2.754 0.000 0.713) 2.845 9.159 ( 0.824 0.000 -0.347) 0.894 9.218 ( 0.648 0.000 0.867) 1.082 9.224 ( 0.954 0.000 1.879) 2.107 9.265 ( 3.007 0.000 0.653) 3.078 9.289 ( 0.335 0.000 -0.428) 0.543 9.550 ( -8.730 0.000 -5.381) 10.255 9.647 ( -0.979 0.000 -0.715) 1.212 9.685 ( 6.129 0.000 7.298) 9.530 9.877 ( 1.254 0.000 -1.763) 2.164 9.996 ( 4.652 0.000 2.651) 5.354 10.132 ( 4.587 0.000 -5.933) 7.499 10.504 ( -1.199 0.000 -2.698) 2.953 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 13.673 0.000 9.880) 16.869 1.416 ( 7.842 0.000 0.511) 7.859 1.664 ( 11.029 0.000 -1.957) 11.201 1.723 ( 3.809 0.000 4.760) 6.096 1.783 ( 4.115 0.000 -9.789) 10.618 1.992 ( -8.498 0.000 -0.176) 8.499 2.027 ( 7.086 0.000 -0.895) 7.142 2.163 ( -3.847 0.000 -2.252) 4.458 2.219 ( -8.915 0.000 -3.795) 9.689 2.420 ( 3.218 0.000 -1.202) 3.435 2.450 ( -3.769 0.000 1.881) 4.212 2.541 ( -3.084 0.000 -1.259) 3.331 2.617 ( 0.210 0.000 9.432) 9.434 2.651 ( -1.326 0.000 9.565) 9.656 2.785 ( -4.609 0.000 -2.975) 5.486 2.813 ( 4.956 0.000 -4.163) 6.472 2.848 ( 6.194 0.000 7.116) 9.434 2.920 ( -1.729 0.000 1.410) 2.230 2.946 ( -1.677 0.000 0.856) 1.883 3.074 ( -4.436 0.000 -8.099) 9.234 3.156 ( -2.591 0.000 -4.791) 5.447 3.237 ( 1.117 0.000 -2.246) 2.509 3.398 ( 2.756 0.000 -2.341) 3.616 3.451 ( -4.785 0.000 0.173) 4.788 3.519 ( 1.806 0.000 1.035) 2.081 3.588 ( 1.460 0.000 0.483) 1.538 3.657 ( 2.901 0.000 5.435) 6.161 3.671 ( -0.906 0.000 3.106) 3.235 3.693 ( 3.394 0.000 -0.625) 3.451 3.768 ( 1.710 0.000 -1.298) 2.147 3.863 ( 1.184 0.000 1.361) 1.805 3.880 ( 6.746 0.000 -2.285) 7.122 3.932 ( -1.387 0.000 0.805) 1.604 3.946 ( 2.701 0.000 0.598) 2.766 4.021 ( 0.677 0.000 -2.496) 2.586 4.044 ( -1.003 0.000 -0.035) 1.003 4.073 ( 6.480 0.000 -3.947) 7.587 4.085 ( 2.786 0.000 -0.495) 2.830 4.130 ( -0.143 0.000 1.020) 1.030 4.169 ( -6.006 0.000 3.474) 6.938 4.285 ( -3.948 0.000 4.147) 5.726 4.290 ( 0.831 0.000 -1.333) 1.570 4.361 ( -6.531 0.000 -4.357) 7.851 4.415 ( 0.792 0.000 1.423) 1.628 4.446 ( -3.837 0.000 0.880) 3.936 4.561 ( 1.039 0.000 2.026) 2.277 4.572 ( 6.410 0.000 -2.314) 6.815 4.628 ( 2.268 0.000 0.035) 2.269 4.681 ( -4.754 0.000 7.416) 8.808 4.685 ( 5.153 0.000 0.002) 5.153 4.695 ( 2.672 0.000 -1.907) 3.283 4.754 ( -2.976 0.000 -0.171) 2.981 4.828 ( 0.159 0.000 1.081) 1.092 4.872 ( -0.935 0.000 -0.027) 0.936 4.878 ( -0.041 0.000 1.533) 1.534 4.912 ( 0.258 0.000 -2.612) 2.625 4.944 ( 3.559 0.000 -2.901) 4.592 5.058 ( -6.913 0.000 0.222) 6.916 5.083 ( -3.232 0.000 -0.184) 3.237 5.095 ( -9.556 0.000 -8.525) 12.806 5.152 ( 0.969 0.000 0.569) 1.124 5.166 ( -0.430 0.000 -0.108) 0.444 5.186 ( -3.077 0.000 0.095) 3.079 5.288 ( -0.041 0.000 -0.816) 0.817 5.497 ( 1.768 0.000 -0.348) 1.802 5.517 ( 1.234 0.000 -0.057) 1.236 5.594 ( -1.583 0.000 -1.900) 2.473 5.655 ( 1.386 0.000 0.663) 1.536 5.723 ( 6.498 0.000 3.977) 7.618 5.742 ( 2.713 0.000 0.497) 2.758 5.831 ( -2.408 0.000 0.713) 2.511 5.890 ( -4.621 0.000 -0.313) 4.632 5.983 ( -0.059 0.000 0.128) 0.141 6.047 ( -3.852 0.000 0.943) 3.966 6.108 ( -4.049 0.000 -4.446) 6.013 6.272 ( 2.549 0.000 -3.226) 4.112 6.338 ( -2.310 0.000 7.110) 7.476 6.465 ( 5.344 0.000 2.337) 5.833 6.485 ( 5.184 0.000 0.469) 5.205 6.589 ( -2.455 0.000 -2.324) 3.381 6.631 ( 3.536 0.000 -3.344) 4.867 6.719 ( 1.837 0.000 3.016) 3.531 6.744 ( -4.750 0.000 1.573) 5.003 6.853 ( -2.032 0.000 1.148) 2.334 6.861 ( 0.520 0.000 -0.481) 0.708 6.897 ( -2.112 0.000 -0.601) 2.196 6.933 ( -4.437 0.000 -2.525) 5.105 6.996 ( -0.451 0.000 -0.645) 0.787 7.098 ( 1.251 0.000 1.562) 2.001 7.178 ( 1.940 0.000 1.933) 2.739 7.328 ( 1.269 0.000 -0.040) 1.270 7.385 ( -0.880 0.000 -2.085) 2.263 8.141 ( 0.571 0.000 -0.689) 0.895 8.189 ( -2.200 0.000 0.938) 2.391 8.214 ( 0.091 0.000 0.661) 0.667 8.326 ( -1.308 0.000 0.374) 1.361 9.168 ( 0.601 0.000 -0.339) 0.690 9.220 ( -0.689 0.000 0.340) 0.768 9.243 ( 0.798 0.000 0.960) 1.248 9.283 ( -0.232 0.000 -0.586) 0.631 9.372 ( 4.141 0.000 1.780) 4.507 9.377 ( -3.895 0.000 -3.176) 5.026 9.600 ( -2.305 0.000 -1.106) 2.557 9.845 ( 2.620 0.000 4.772) 5.444 9.876 ( 0.455 0.000 -0.999) 1.097 10.087 ( 2.322 0.000 1.292) 2.657 10.141 ( 2.200 0.000 -3.435) 4.079 10.459 ( -0.951 0.000 -1.160) 1.500 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 26.497 0.000) 26.497 0.608 ( 0.000 30.292 0.000) 30.292 0.832 ( 0.000 41.067 0.000) 41.067 1.545 ( 0.000 -1.571 0.000) 1.571 1.694 ( 0.000 -2.627 0.000) 2.627 2.023 ( 0.000 2.131 0.000) 2.131 2.131 ( 0.000 4.880 0.000) 4.880 2.247 ( 0.000 2.116 0.000) 2.116 2.297 ( 0.000 -1.075 0.000) 1.075 2.394 ( 0.000 -1.972 0.000) 1.972 2.489 ( 0.000 -4.079 0.000) 4.079 2.615 ( 0.000 0.813 0.000) 0.813 2.622 ( 0.000 -4.407 0.000) 4.407 2.718 ( 0.000 -3.070 0.000) 3.070 2.757 ( 0.000 1.222 0.000) 1.222 2.812 ( 0.000 -2.906 0.000) 2.906 2.940 ( 0.000 -5.535 0.000) 5.535 3.001 ( 0.000 -5.148 0.000) 5.148 3.019 ( 0.000 -2.277 0.000) 2.277 3.046 ( 0.000 2.412 0.000) 2.412 3.195 ( 0.000 5.294 0.000) 5.294 3.228 ( 0.000 -0.555 0.000) 0.555 3.361 ( 0.000 -4.033 0.000) 4.033 3.365 ( 0.000 -0.802 0.000) 0.802 3.423 ( 0.000 -10.221 0.000) 10.221 3.509 ( 0.000 0.924 0.000) 0.924 3.518 ( 0.000 0.501 0.000) 0.501 3.530 ( 0.000 -6.453 0.000) 6.453 3.689 ( 0.000 -3.420 0.000) 3.420 3.750 ( 0.000 0.677 0.000) 0.677 3.758 ( 0.000 -8.574 0.000) 8.574 3.785 ( 0.000 -2.826 0.000) 2.826 3.871 ( 0.000 -4.977 0.000) 4.977 3.928 ( 0.000 -3.016 0.000) 3.016 3.978 ( 0.000 -2.497 0.000) 2.497 3.994 ( 0.000 -3.740 0.000) 3.740 4.068 ( 0.000 -1.802 0.000) 1.802 4.087 ( 0.000 3.807 0.000) 3.807 4.124 ( 0.000 2.568 0.000) 2.568 4.196 ( 0.000 -1.106 0.000) 1.106 4.234 ( 0.000 -0.650 0.000) 0.650 4.296 ( 0.000 0.905 0.000) 0.905 4.316 ( 0.000 -7.295 0.000) 7.295 4.322 ( 0.000 8.564 0.000) 8.564 4.406 ( 0.000 0.781 0.000) 0.781 4.475 ( 0.000 4.523 0.000) 4.523 4.492 ( 0.000 -4.691 0.000) 4.691 4.497 ( 0.000 -4.573 0.000) 4.573 4.588 ( 0.000 3.035 0.000) 3.035 4.719 ( 0.000 -4.761 0.000) 4.761 4.756 ( 0.000 0.181 0.000) 0.181 4.789 ( 0.000 -1.375 0.000) 1.375 4.839 ( 0.000 -0.934 0.000) 0.934 4.895 ( 0.000 1.519 0.000) 1.519 4.910 ( 0.000 4.904 0.000) 4.904 4.953 ( 0.000 0.775 0.000) 0.775 5.012 ( 0.000 0.213 0.000) 0.213 5.109 ( 0.000 3.329 0.000) 3.329 5.119 ( 0.000 0.821 0.000) 0.821 5.213 ( 0.000 2.789 0.000) 2.789 5.235 ( 0.000 7.632 0.000) 7.632 5.327 ( 0.000 -3.088 0.000) 3.088 5.367 ( 0.000 2.851 0.000) 2.851 5.411 ( 0.000 -1.016 0.000) 1.016 5.496 ( 0.000 -3.973 0.000) 3.973 5.572 ( 0.000 0.216 0.000) 0.216 5.611 ( 0.000 -1.558 0.000) 1.558 5.676 ( 0.000 -2.060 0.000) 2.060 5.789 ( 0.000 -1.003 0.000) 1.003 5.820 ( 0.000 -3.441 0.000) 3.441 5.919 ( 0.000 6.192 0.000) 6.192 5.946 ( 0.000 -3.275 0.000) 3.275 6.112 ( 0.000 -1.414 0.000) 1.414 6.176 ( 0.000 2.562 0.000) 2.562 6.226 ( 0.000 3.577 0.000) 3.577 6.326 ( 0.000 2.423 0.000) 2.423 6.344 ( 0.000 2.215 0.000) 2.215 6.345 ( 0.000 1.529 0.000) 1.529 6.409 ( 0.000 1.358 0.000) 1.358 6.559 ( 0.000 0.333 0.000) 0.333 6.662 ( 0.000 1.634 0.000) 1.634 6.687 ( 0.000 -1.325 0.000) 1.325 6.807 ( 0.000 3.752 0.000) 3.752 6.848 ( 0.000 -1.849 0.000) 1.849 6.863 ( 0.000 1.626 0.000) 1.626 6.918 ( 0.000 1.128 0.000) 1.128 6.980 ( 0.000 0.171 0.000) 0.171 7.042 ( 0.000 -2.688 0.000) 2.688 7.119 ( 0.000 -0.165 0.000) 0.165 7.173 ( 0.000 3.033 0.000) 3.033 7.174 ( 0.000 1.713 0.000) 1.713 7.510 ( 0.000 -3.164 0.000) 3.164 8.070 ( 0.000 -7.298 0.000) 7.298 8.117 ( 0.000 -3.387 0.000) 3.387 8.475 ( 0.000 10.792 0.000) 10.792 8.774 ( 0.000 1.262 0.000) 1.262 9.111 ( 0.000 1.229 0.000) 1.229 9.139 ( 0.000 -0.486 0.000) 0.486 9.206 ( 0.000 0.158 0.000) 0.158 9.306 ( 0.000 0.871 0.000) 0.871 9.446 ( 0.000 -1.088 0.000) 1.088 9.553 ( 0.000 0.503 0.000) 0.503 9.564 ( 0.000 0.653 0.000) 0.653 9.628 ( 0.000 -0.686 0.000) 0.686 9.816 ( 0.000 -2.387 0.000) 2.387 9.836 ( 0.000 -2.054 0.000) 2.054 9.918 ( 0.000 0.172 0.000) 0.172 10.073 ( 0.000 -2.009 0.000) 2.009 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 17.267 17.071 2.496) 24.409 0.809 ( 12.237 20.718 13.706) 27.692 1.300 ( 26.180 20.099 8.856) 34.173 1.442 ( 4.190 6.266 -8.751) 11.550 1.769 ( 7.702 -1.075 -12.359) 14.602 1.923 ( -1.041 -2.035 3.930) 4.546 2.118 ( -3.531 7.639 -9.059) 12.365 2.270 ( -1.691 -0.493 -1.986) 2.655 2.356 ( 0.731 -1.285 3.229) 3.551 2.395 ( 0.935 -0.923 0.963) 1.629 2.452 ( -0.108 1.714 10.732) 10.869 2.478 ( -5.924 0.614 1.815) 6.226 2.613 ( -6.709 4.163 1.332) 8.008 2.683 ( 0.651 -2.966 -0.212) 3.044 2.775 ( -8.380 -3.041 5.205) 10.323 2.803 ( -4.533 -3.865 0.234) 5.962 2.882 ( 2.597 -4.346 -2.269) 5.548 2.997 ( 4.295 -2.563 0.296) 5.011 3.052 ( -0.615 2.789 -2.128) 3.561 3.099 ( 5.877 -4.900 2.670) 8.104 3.222 ( -4.627 -1.648 0.181) 4.915 3.253 ( 1.277 0.103 0.801) 1.511 3.317 ( 0.170 -3.302 -2.022) 3.876 3.367 ( -2.808 -3.184 -0.985) 4.358 3.430 ( 1.923 -3.915 2.401) 4.979 3.469 ( 0.262 -0.737 -0.428) 0.892 3.531 ( 1.574 -7.262 -0.765) 7.470 3.561 ( 2.231 -4.648 0.501) 5.180 3.685 ( 1.795 -0.674 -3.579) 4.060 3.718 ( 0.357 -5.429 -1.909) 5.766 3.755 ( -2.990 -5.597 -0.697) 6.384 3.815 ( 0.003 -0.967 2.734) 2.900 3.858 ( 1.630 -2.755 -3.199) 4.526 3.929 ( -2.174 -2.425 -1.584) 3.621 3.934 ( -0.827 -1.461 -1.235) 2.084 3.988 ( -0.112 -0.231 -3.288) 3.298 4.044 ( -0.252 -0.919 4.114) 4.223 4.106 ( 2.207 -2.284 -0.349) 3.196 4.150 ( 0.398 2.109 -1.427) 2.578 4.250 ( 2.677 -0.049 -0.998) 2.857 4.301 ( 1.210 -0.355 1.153) 1.708 4.319 ( 2.197 0.477 -1.457) 2.679 4.338 ( 7.197 -0.770 -0.695) 7.272 4.373 ( -2.599 1.182 -4.341) 5.196 4.412 ( 4.495 0.745 5.467) 7.117 4.425 ( 2.207 0.322 -0.785) 2.365 4.486 ( -2.824 -1.291 7.031) 7.686 4.566 ( 3.493 1.131 -0.588) 3.719 4.636 ( -0.945 -0.156 2.639) 2.807 4.714 ( 2.990 -1.092 1.350) 3.457 4.750 ( -3.878 -2.041 -0.555) 4.417 4.787 ( -1.944 -4.580 -0.445) 4.995 4.825 ( -2.033 0.554 -2.297) 3.117 4.851 ( 0.034 0.362 -2.485) 2.511 4.943 ( 2.214 0.194 2.790) 3.567 4.972 ( 1.682 1.149 -0.076) 2.038 5.007 ( -1.873 1.140 0.543) 2.259 5.054 ( -3.014 4.395 -1.608) 5.566 5.099 ( -2.505 -0.196 2.501) 3.545 5.212 ( -0.482 6.772 -1.180) 6.890 5.266 ( 1.252 2.516 -0.968) 2.972 5.335 ( 0.619 -4.409 -1.799) 4.802 5.348 ( -1.111 -1.106 1.664) 2.286 5.389 ( -3.673 -0.061 -1.309) 3.900 5.479 ( 0.772 -0.847 -1.123) 1.604 5.555 ( -3.250 -1.260 -1.466) 3.782 5.590 ( -2.431 -0.930 -0.361) 2.628 5.684 ( 2.231 -2.034 -2.331) 3.814 5.759 ( 0.275 2.409 -0.970) 2.611 5.809 ( -2.618 3.175 0.636) 4.164 5.878 ( 2.054 -1.458 -3.546) 4.349 6.011 ( 0.452 -1.924 -2.483) 3.174 6.079 ( -1.815 1.712 3.705) 4.467 6.138 ( -2.834 2.425 -0.427) 3.755 6.230 ( -4.124 3.372 -4.536) 6.997 6.253 ( -1.300 2.365 2.511) 3.687 6.295 ( -1.686 -0.374 1.822) 2.510 6.366 ( -1.186 2.660 3.573) 4.609 6.390 ( -1.161 2.023 0.097) 2.335 6.555 ( -0.752 -0.202 1.345) 1.554 6.702 ( 0.855 -0.596 1.305) 1.670 6.720 ( 2.781 1.628 4.325) 5.394 6.752 ( -2.735 2.933 -3.098) 5.067 6.818 ( -3.074 3.152 1.258) 4.579 6.887 ( 0.540 -0.175 -0.701) 0.902 6.942 ( 2.549 1.625 0.539) 3.071 6.993 ( -2.234 0.057 2.822) 3.600 7.042 ( -0.904 0.008 -0.771) 1.188 7.097 ( 1.533 -2.830 0.488) 3.255 7.173 ( 3.434 2.250 -1.431) 4.347 7.209 ( -2.110 0.307 1.706) 2.731 7.448 ( 0.428 -0.633 -5.202) 5.258 8.060 ( -0.557 -6.723 -0.605) 6.773 8.107 ( -1.115 -3.794 0.669) 4.011 8.462 ( -3.046 10.539 1.882) 11.131 8.571 ( -7.748 10.790 -3.379) 13.707 9.139 ( 0.906 0.712 2.000) 2.309 9.151 ( 1.450 -0.409 0.298) 1.536 9.208 ( 0.249 0.334 0.528) 0.673 9.276 ( -0.901 0.267 -0.513) 1.070 9.284 ( -1.221 0.671 -1.183) 1.828 9.512 ( 3.610 -1.025 2.526) 4.524 9.610 ( 0.250 -2.475 -0.535) 2.544 9.760 ( -4.396 0.075 -1.677) 4.706 9.848 ( 2.007 -1.601 -1.000) 2.756 9.900 ( 1.392 0.168 2.091) 2.518 10.087 ( 3.891 -2.410 -4.582) 6.476 10.255 ( 14.843 -17.721 6.003) 23.883 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 16.990 10.321 7.305) 21.179 1.222 ( 15.360 9.957 10.569) 21.137 1.433 ( 13.307 5.914 -5.672) 15.628 1.686 ( 3.755 -1.161 -10.542) 11.251 1.805 ( 11.397 4.339 -1.228) 12.256 1.926 ( 1.945 7.285 -7.206) 10.430 2.138 ( 1.718 0.988 6.093) 6.407 2.244 ( -1.249 0.050 -2.643) 2.924 2.377 ( -2.045 -0.201 -1.984) 2.856 2.434 ( 2.473 4.412 -3.178) 5.973 2.463 ( -4.742 -2.665 10.175) 11.538 2.478 ( 4.845 4.177 7.301) 9.707 2.562 ( -5.274 0.240 3.960) 6.600 2.669 ( -5.154 -0.053 1.517) 5.373 2.702 ( -0.637 -5.489 -0.267) 5.532 2.728 ( -3.121 2.178 6.902) 7.882 2.904 ( -1.552 -1.489 1.729) 2.760 2.969 ( -2.946 2.335 -0.278) 3.769 3.058 ( -1.673 4.354 -1.068) 4.785 3.158 ( 0.989 -3.997 -3.082) 5.143 3.177 ( 1.998 -7.599 -2.403) 8.217 3.265 ( -1.525 -2.316 -0.050) 2.773 3.331 ( 1.637 -2.171 -2.696) 3.829 3.376 ( 3.084 -6.733 2.151) 7.712 3.415 ( 1.469 -3.072 2.671) 4.328 3.461 ( 0.217 -7.275 -1.575) 7.446 3.546 ( -1.642 -2.756 -0.539) 3.253 3.655 ( -1.120 -3.195 -2.972) 4.505 3.668 ( 1.314 -6.512 -1.800) 6.883 3.715 ( 4.861 0.639 -2.235) 5.388 3.750 ( 5.361 -3.006 1.000) 6.227 3.818 ( -1.665 -2.188 2.214) 3.530 3.865 ( 3.632 -1.660 -2.497) 4.710 3.906 ( -1.097 -2.080 0.933) 2.530 3.934 ( 2.361 -3.212 -0.547) 4.023 3.999 ( 2.308 -1.048 1.245) 2.823 4.039 ( -2.764 -2.115 0.394) 3.502 4.072 ( -3.314 -3.728 -3.378) 6.024 4.139 ( 4.570 3.833 -4.146) 7.264 4.244 ( -3.534 3.028 0.709) 4.708 4.307 ( 0.530 2.710 0.241) 2.772 4.343 ( 1.347 2.011 0.575) 2.488 4.375 ( 5.117 0.744 -0.318) 5.180 4.467 ( 5.154 1.160 -0.010) 5.283 4.480 ( -3.507 -0.905 6.662) 7.583 4.489 ( 2.046 -0.696 1.072) 2.412 4.572 ( 5.058 -2.770 -1.803) 6.042 4.581 ( 2.370 -0.535 1.961) 3.122 4.637 ( -2.297 1.293 -0.712) 2.731 4.653 ( -5.753 0.787 -0.711) 5.850 4.715 ( -2.359 0.027 0.423) 2.397 4.735 ( -0.730 -2.026 -0.186) 2.161 4.792 ( 0.503 -3.386 -1.018) 3.572 4.870 ( 3.256 -1.028 -2.750) 4.384 4.903 ( -4.786 -0.693 -0.327) 4.847 4.946 ( -3.100 1.338 -0.680) 3.444 5.042 ( -2.636 2.692 -3.775) 5.333 5.055 ( -2.685 -0.888 3.890) 4.809 5.111 ( 3.977 1.117 5.102) 6.565 5.175 ( -1.759 3.445 -1.117) 4.027 5.200 ( -3.000 4.104 2.753) 5.781 5.276 ( -5.286 -0.634 -3.455) 6.346 5.318 ( 0.459 0.213 -1.871) 1.938 5.376 ( 0.780 -5.042 2.333) 5.610 5.466 ( -4.711 1.693 -5.957) 7.781 5.519 ( 1.981 1.183 -0.081) 2.308 5.563 ( 0.775 -0.152 -1.297) 1.518 5.642 ( -2.316 1.518 -4.377) 5.179 5.713 ( -0.323 1.054 -0.145) 1.112 5.806 ( 0.368 5.867 -0.454) 5.896 5.846 ( -2.132 -2.315 -2.857) 4.250 5.905 ( -1.684 -0.559 0.184) 1.784 6.074 ( -3.565 -2.483 2.386) 4.956 6.091 ( -6.408 1.453 -2.095) 6.897 6.208 ( -0.061 1.203 -0.052) 1.205 6.238 ( 0.571 1.068 -1.166) 1.681 6.348 ( 6.039 1.559 2.354) 6.667 6.360 ( -4.926 1.302 8.627) 10.019 6.414 ( 3.585 3.263 -0.496) 4.873 6.588 ( 1.606 -0.840 3.278) 3.746 6.657 ( -1.079 1.569 -4.585) 4.965 6.718 ( -0.973 3.272 -0.505) 3.450 6.792 ( -1.405 2.326 3.255) 4.241 6.823 ( 0.002 -1.227 0.853) 1.494 6.889 ( 1.376 0.563 1.042) 1.815 6.941 ( -3.248 0.192 1.765) 3.701 6.990 ( 1.339 -0.801 -0.304) 1.589 7.045 ( -1.688 -0.182 -2.560) 3.072 7.078 ( -1.325 -1.055 -0.519) 1.772 7.155 ( -2.930 1.588 3.096) 4.549 7.263 ( 5.086 -0.062 -0.493) 5.110 7.421 ( 0.469 -0.728 -2.896) 3.023 8.044 ( -0.351 -6.377 -0.580) 6.413 8.094 ( -1.143 -4.306 0.607) 4.496 8.410 ( -3.508 9.489 0.913) 10.158 8.466 ( -3.677 8.035 0.155) 8.837 9.157 ( 0.746 -0.155 -0.417) 0.868 9.200 ( 1.834 -1.115 0.933) 2.341 9.222 ( -0.744 -0.405 0.856) 1.204 9.270 ( 2.340 0.063 0.607) 2.419 9.287 ( 0.741 -0.086 0.087) 0.751 9.511 ( -6.180 -3.923 -2.894) 7.872 9.650 ( 1.985 0.689 -0.342) 2.129 9.695 ( 2.126 1.420 3.276) 4.155 9.866 ( 1.231 -0.749 -1.312) 1.949 9.986 ( 3.977 -1.244 3.057) 5.168 10.103 ( 4.263 -2.780 -5.682) 7.628 10.403 ( 2.251 -8.749 -0.178) 9.035 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 13.487 4.834 3.024) 14.643 1.483 ( 4.293 8.006 6.918) 11.418 1.678 ( 10.255 -1.708 -0.834) 10.430 1.703 ( 3.642 2.804 -0.442) 4.617 1.832 ( 6.054 4.103 -6.429) 9.738 1.982 ( -9.567 -0.255 -1.751) 9.729 2.047 ( 4.422 1.957 0.821) 4.905 2.179 ( -3.565 1.278 -0.640) 3.841 2.240 ( -7.329 3.340 -3.265) 8.691 2.420 ( -5.840 -3.496 -0.451) 6.821 2.453 ( 1.504 1.886 0.235) 2.423 2.535 ( 0.651 0.363 -0.398) 0.845 2.610 ( 3.645 -0.473 6.314) 7.306 2.659 ( -1.440 -2.128 1.551) 3.001 2.710 ( -2.754 -0.404 5.450) 6.120 2.882 ( -2.172 4.037 0.110) 4.586 2.906 ( 5.540 3.346 1.248) 6.591 2.934 ( -0.096 3.011 3.721) 4.788 2.991 ( -1.281 3.331 -3.273) 4.842 3.105 ( -2.601 -1.603 0.099) 3.057 3.149 ( -0.666 -0.345 -6.139) 6.185 3.203 ( 1.442 -2.278 -3.568) 4.472 3.351 ( 1.304 -3.726 -1.784) 4.332 3.400 ( -3.059 -4.098 -0.952) 5.202 3.467 ( 4.632 -9.350 2.584) 10.750 3.514 ( -0.332 -1.969 1.400) 2.439 3.582 ( 2.507 -6.131 3.517) 7.500 3.628 ( 2.061 -2.705 -2.213) 4.057 3.684 ( 1.875 -6.114 0.693) 6.432 3.736 ( 3.049 -2.383 -2.487) 4.600 3.781 ( -2.528 -2.746 2.988) 4.781 3.850 ( -0.688 -4.300 1.047) 4.478 3.880 ( -0.567 -3.181 -1.318) 3.489 3.924 ( 0.399 -5.401 -0.274) 5.422 3.984 ( 0.601 -4.408 0.363) 4.464 3.993 ( 2.013 -3.081 -0.189) 3.685 4.041 ( 1.759 -1.355 -0.317) 2.243 4.068 ( 3.739 1.912 1.035) 4.325 4.202 ( 4.904 4.916 -0.808) 6.991 4.250 ( -2.851 5.043 2.859) 6.460 4.273 ( -0.200 0.724 -0.339) 0.824 4.333 ( -1.150 1.457 -0.079) 1.858 4.369 ( -6.763 1.864 -5.214) 8.740 4.442 ( -1.457 0.973 1.096) 2.066 4.487 ( -0.432 2.734 0.230) 2.777 4.547 ( 7.003 -1.995 -4.016) 8.315 4.586 ( -0.860 1.391 2.432) 2.931 4.621 ( -2.022 -3.029 5.298) 6.430 4.658 ( 3.619 -1.551 3.328) 5.155 4.680 ( 2.746 2.476 1.819) 4.121 4.703 ( -0.816 0.337 -0.464) 0.998 4.743 ( -2.067 -0.889 0.524) 2.311 4.788 ( -0.721 -1.771 -1.072) 2.192 4.858 ( -2.345 -2.188 0.515) 3.248 4.877 ( 2.838 -0.253 0.962) 3.007 4.891 ( -1.073 -0.892 -3.364) 3.642 4.954 ( 4.903 1.087 -3.665) 6.217 5.021 ( -5.961 -1.741 1.260) 6.337 5.088 ( -8.225 -0.606 -2.719) 8.684 5.115 ( -0.987 1.631 -5.597) 5.913 5.170 ( -2.685 1.032 2.631) 3.898 5.212 ( -5.331 3.566 -4.010) 7.564 5.238 ( -0.024 5.630 0.833) 5.691 5.315 ( 0.101 1.955 -0.240) 1.972 5.452 ( 4.238 -3.456 3.286) 6.380 5.549 ( -2.097 -1.981 -1.148) 3.105 5.567 ( 1.948 3.451 -2.036) 4.456 5.703 ( 4.805 -1.491 2.304) 5.533 5.741 ( 3.947 1.227 0.859) 4.221 5.772 ( -0.085 3.894 -1.622) 4.219 5.813 ( -4.049 -0.070 1.420) 4.291 5.881 ( -4.484 -0.360 -1.402) 4.712 5.958 ( -1.335 -1.485 -0.787) 2.147 6.048 ( -1.157 -0.079 4.380) 4.531 6.138 ( -3.246 2.539 -3.790) 5.598 6.276 ( 2.786 0.736 -2.624) 3.897 6.351 ( -2.505 -0.058 4.283) 4.962 6.494 ( 4.552 3.140 2.457) 6.051 6.518 ( 6.026 2.704 2.520) 7.069 6.588 ( -1.076 0.627 -3.110) 3.351 6.644 ( -1.144 -0.391 -0.475) 1.299 6.708 ( 1.190 1.065 0.347) 1.634 6.755 ( -3.575 0.163 0.438) 3.605 6.810 ( -1.677 -1.305 -0.212) 2.135 6.896 ( -1.261 1.618 3.000) 3.634 6.912 ( -0.614 1.174 -1.160) 1.760 6.957 ( -3.089 1.786 -2.698) 4.473 6.988 ( 0.190 -1.522 -1.399) 2.076 7.095 ( 1.603 0.310 1.854) 2.471 7.176 ( 0.118 -0.698 1.797) 1.931 7.322 ( 2.231 -0.248 -0.603) 2.324 7.390 ( -1.122 0.180 -1.083) 1.569 8.037 ( 0.023 -6.494 -0.238) 6.498 8.082 ( -0.664 -4.206 0.272) 4.266 8.383 ( -0.191 8.552 0.182) 8.556 8.415 ( -2.450 6.800 0.586) 7.252 9.163 ( 0.487 -0.396 -0.458) 0.777 9.211 ( -0.626 -0.831 0.285) 1.079 9.236 ( 1.107 -0.608 1.087) 1.666 9.274 ( -0.480 -1.006 -1.143) 1.597 9.354 ( 2.687 -1.432 1.051) 3.221 9.384 ( -2.898 0.204 -1.857) 3.448 9.623 ( -1.148 1.984 -1.015) 2.507 9.813 ( 2.327 -1.808 3.484) 4.564 9.866 ( 0.288 -0.698 -0.765) 1.074 10.076 ( 1.836 -1.734 2.869) 3.822 10.110 ( 2.350 -2.824 -4.313) 5.666 10.407 ( -0.192 -4.978 -0.562) 5.013 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 23.315 0.000) 23.315 1.169 ( 0.000 26.341 0.000) 26.341 1.442 ( 0.000 7.067 0.000) 7.067 1.647 ( 0.000 24.463 0.000) 24.463 1.679 ( 0.000 1.687 0.000) 1.687 2.023 ( 0.000 -1.850 0.000) 1.850 2.165 ( 0.000 -7.622 0.000) 7.622 2.217 ( 0.000 -2.553 0.000) 2.553 2.302 ( 0.000 3.237 0.000) 3.237 2.346 ( 0.000 -3.156 0.000) 3.156 2.396 ( 0.000 -5.115 0.000) 5.115 2.544 ( 0.000 -3.704 0.000) 3.704 2.644 ( 0.000 -4.431 0.000) 4.431 2.668 ( 0.000 5.398 0.000) 5.398 2.752 ( 0.000 -1.686 0.000) 1.686 2.823 ( 0.000 5.330 0.000) 5.330 2.882 ( 0.000 1.468 0.000) 1.468 2.908 ( 0.000 -4.268 0.000) 4.268 2.988 ( 0.000 -0.450 0.000) 0.450 3.093 ( 0.000 1.714 0.000) 1.714 3.162 ( 0.000 -9.066 0.000) 9.066 3.193 ( 0.000 -7.065 0.000) 7.065 3.270 ( 0.000 2.538 0.000) 2.538 3.284 ( 0.000 -4.822 0.000) 4.822 3.324 ( 0.000 -7.306 0.000) 7.306 3.398 ( 0.000 -1.284 0.000) 1.284 3.492 ( 0.000 -2.357 0.000) 2.357 3.560 ( 0.000 2.211 0.000) 2.211 3.619 ( 0.000 -3.872 0.000) 3.872 3.625 ( 0.000 -4.270 0.000) 4.270 3.701 ( 0.000 -4.843 0.000) 4.843 3.744 ( 0.000 -2.672 0.000) 2.672 3.780 ( 0.000 -3.722 0.000) 3.722 3.805 ( 0.000 -6.653 0.000) 6.653 3.881 ( 0.000 -6.773 0.000) 6.773 3.944 ( 0.000 -1.828 0.000) 1.828 4.010 ( 0.000 -4.064 0.000) 4.064 4.129 ( 0.000 -7.513 0.000) 7.513 4.143 ( 0.000 0.931 0.000) 0.931 4.145 ( 0.000 -2.600 0.000) 2.600 4.197 ( 0.000 0.886 0.000) 0.886 4.220 ( 0.000 -0.533 0.000) 0.533 4.342 ( 0.000 3.689 0.000) 3.689 4.436 ( 0.000 3.812 0.000) 3.812 4.469 ( 0.000 0.562 0.000) 0.562 4.481 ( 0.000 1.274 0.000) 1.274 4.492 ( 0.000 5.549 0.000) 5.549 4.560 ( 0.000 4.902 0.000) 4.902 4.628 ( 0.000 2.461 0.000) 2.461 4.683 ( 0.000 2.658 0.000) 2.658 4.730 ( 0.000 -2.172 0.000) 2.172 4.807 ( 0.000 1.495 0.000) 1.495 4.835 ( 0.000 0.779 0.000) 0.779 4.924 ( 0.000 -0.396 0.000) 0.396 4.950 ( 0.000 0.364 0.000) 0.364 4.954 ( 0.000 -5.323 0.000) 5.323 4.995 ( 0.000 -5.303 0.000) 5.303 5.058 ( 0.000 -0.574 0.000) 0.574 5.134 ( 0.000 -3.833 0.000) 3.833 5.176 ( 0.000 2.449 0.000) 2.449 5.309 ( 0.000 -0.309 0.000) 0.309 5.331 ( 0.000 -2.555 0.000) 2.555 5.400 ( 0.000 0.132 0.000) 0.132 5.421 ( 0.000 4.782 0.000) 4.782 5.459 ( 0.000 0.096 0.000) 0.096 5.587 ( 0.000 -0.770 0.000) 0.770 5.608 ( 0.000 1.574 0.000) 1.574 5.684 ( 0.000 2.147 0.000) 2.147 5.747 ( 0.000 -1.868 0.000) 1.868 5.784 ( 0.000 0.284 0.000) 0.284 5.901 ( 0.000 -1.625 0.000) 1.625 6.039 ( 0.000 5.273 0.000) 5.273 6.041 ( 0.000 -4.529 0.000) 4.529 6.212 ( 0.000 1.177 0.000) 1.177 6.287 ( 0.000 2.401 0.000) 2.401 6.359 ( 0.000 0.820 0.000) 0.820 6.390 ( 0.000 2.920 0.000) 2.920 6.421 ( 0.000 4.651 0.000) 4.651 6.465 ( 0.000 3.810 0.000) 3.810 6.598 ( 0.000 3.529 0.000) 3.529 6.632 ( 0.000 -3.212 0.000) 3.212 6.709 ( 0.000 1.592 0.000) 1.592 6.797 ( 0.000 -3.000 0.000) 3.000 6.854 ( 0.000 -1.756 0.000) 1.756 6.882 ( 0.000 2.377 0.000) 2.377 6.936 ( 0.000 0.637 0.000) 0.637 6.964 ( 0.000 -0.616 0.000) 0.616 7.068 ( 0.000 4.641 0.000) 4.641 7.117 ( 0.000 -0.743 0.000) 0.743 7.200 ( 0.000 0.834 0.000) 0.834 7.229 ( 0.000 2.652 0.000) 2.652 7.430 ( 0.000 -4.517 0.000) 4.517 7.974 ( 0.000 -2.625 0.000) 2.625 8.043 ( 0.000 -3.682 0.000) 3.682 8.657 ( 0.000 7.352 0.000) 7.352 8.794 ( 0.000 0.493 0.000) 0.493 9.136 ( 0.000 0.307 0.000) 0.307 9.143 ( 0.000 1.734 0.000) 1.734 9.214 ( 0.000 0.932 0.000) 0.932 9.335 ( 0.000 2.267 0.000) 2.267 9.404 ( 0.000 -3.055 0.000) 3.055 9.566 ( 0.000 -0.248 0.000) 0.248 9.580 ( 0.000 0.821 0.000) 0.821 9.591 ( 0.000 -2.473 0.000) 2.473 9.785 ( 0.000 -0.574 0.000) 0.574 9.792 ( 0.000 -1.947 0.000) 1.947 9.916 ( 0.000 -0.142 0.000) 0.142 10.025 ( 0.000 -2.795 0.000) 2.795 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 8.923 20.118 -1.579) 22.065 1.273 ( 5.710 24.169 8.162) 26.141 1.484 ( 6.007 4.104 -2.839) 7.809 1.681 ( 11.168 8.657 -2.711) 14.388 1.837 ( -4.072 5.034 -8.325) 10.547 1.990 ( 13.073 12.298 10.889) 20.993 2.134 ( -0.507 -7.810 -6.402) 10.111 2.260 ( 2.282 -0.758 -4.839) 5.404 2.303 ( 0.827 -2.581 -2.140) 3.453 2.391 ( 0.087 -3.082 6.180) 6.907 2.433 ( 2.892 -1.364 3.981) 5.107 2.505 ( -4.154 1.754 6.515) 7.923 2.622 ( -6.018 -3.558 0.466) 7.007 2.669 ( -6.548 1.792 -0.046) 6.789 2.718 ( -1.573 2.127 -1.849) 3.227 2.800 ( 0.367 1.376 -3.756) 4.017 2.827 ( 3.056 0.885 1.707) 3.610 2.959 ( 2.838 -1.993 6.991) 7.804 3.027 ( 2.290 -1.597 -2.293) 3.613 3.088 ( 1.262 -0.728 2.140) 2.589 3.140 ( 1.263 -6.287 -3.596) 7.353 3.205 ( -2.056 -3.603 0.475) 4.176 3.216 ( -7.839 -5.957 0.936) 9.890 3.299 ( -4.861 -1.558 0.055) 5.104 3.345 ( 3.625 -5.976 -2.039) 7.281 3.387 ( 3.837 -3.459 1.832) 5.481 3.460 ( -5.079 -0.889 0.011) 5.156 3.518 ( 2.009 -0.849 -1.973) 2.941 3.597 ( -0.400 -5.322 -2.096) 5.733 3.645 ( -0.069 -3.500 -0.307) 3.514 3.686 ( -0.298 -2.182 4.185) 4.729 3.756 ( -2.259 -6.550 2.032) 7.220 3.793 ( -0.077 -3.367 3.794) 5.073 3.831 ( 2.024 -4.514 -4.015) 6.371 3.904 ( 1.083 -3.533 -0.524) 3.732 3.933 ( -0.440 -2.338 0.651) 2.467 4.056 ( 1.590 -1.560 -2.069) 3.040 4.062 ( 0.711 -0.417 -4.462) 4.537 4.131 ( -0.067 -3.086 2.575) 4.020 4.195 ( 4.817 -4.605 0.837) 6.716 4.267 ( 3.447 -2.109 -0.258) 4.049 4.312 ( 10.331 0.330 -0.553) 10.351 4.352 ( 2.736 2.576 -3.486) 5.126 4.421 ( -2.208 2.497 -0.967) 3.471 4.433 ( 0.642 1.695 -2.396) 3.004 4.481 ( 1.361 4.083 -1.599) 4.592 4.550 ( 1.359 2.689 2.895) 4.178 4.605 ( 2.358 3.631 3.575) 5.615 4.633 ( -0.232 0.411 -0.902) 1.018 4.687 ( -4.267 -1.809 1.415) 4.846 4.728 ( -0.323 2.473 1.768) 3.057 4.770 ( -1.685 1.616 2.400) 3.348 4.838 ( -5.088 0.878 -4.055) 6.565 4.856 ( 0.958 -1.790 -4.789) 5.202 4.942 ( -0.504 -1.090 2.152) 2.465 4.964 ( 2.257 -1.482 1.024) 2.888 5.000 ( -1.656 -4.658 1.643) 5.209 5.046 ( -0.977 -3.729 -1.426) 4.110 5.142 ( -0.926 -0.347 1.675) 1.945 5.146 ( -0.774 -1.292 1.481) 2.112 5.286 ( 2.194 -0.763 -4.174) 4.777 5.326 ( -4.104 1.381 1.382) 4.545 5.371 ( -2.757 0.183 -0.926) 2.914 5.412 ( -2.586 3.703 0.288) 4.526 5.480 ( 3.143 0.207 2.466) 4.000 5.547 ( -1.535 -1.502 -4.006) 4.545 5.575 ( -1.579 1.223 -1.385) 2.431 5.685 ( 2.663 1.945 -2.324) 4.035 5.793 ( 3.091 1.813 0.963) 3.711 5.848 ( 1.346 0.523 -0.534) 1.540 5.877 ( -1.788 0.854 -2.274) 3.016 5.992 ( -2.039 -0.853 -0.073) 2.212 6.098 ( 3.555 0.953 1.369) 3.927 6.196 ( -0.041 0.400 -1.117) 1.187 6.251 ( -9.145 3.786 -3.141) 10.384 6.295 ( -0.871 1.216 0.207) 1.510 6.342 ( -4.835 3.252 0.087) 5.828 6.365 ( -3.675 -1.331 3.770) 5.431 6.467 ( -0.430 3.952 1.851) 4.385 6.575 ( -2.191 2.072 2.619) 3.994 6.677 ( 2.156 -1.608 1.966) 3.332 6.754 ( 2.141 1.502 3.335) 4.238 6.795 ( -0.953 0.965 -1.307) 1.884 6.843 ( -1.002 -0.530 -1.128) 1.600 6.907 ( 1.708 2.093 1.034) 2.893 6.941 ( -1.351 -0.728 1.762) 2.336 6.977 ( 2.287 -1.655 -0.310) 2.840 7.057 ( -4.038 0.742 -0.975) 4.220 7.088 ( 0.240 2.064 0.760) 2.212 7.189 ( -1.852 -0.359 0.525) 1.959 7.251 ( 2.125 2.948 -0.393) 3.655 7.405 ( 0.786 -2.944 -3.641) 4.748 7.969 ( -0.318 -2.503 -0.334) 2.545 8.038 ( -0.499 -3.291 -0.110) 3.330 8.639 ( -3.000 7.106 1.241) 7.812 8.719 ( -5.719 4.375 -2.422) 7.598 9.145 ( 1.018 0.108 -0.148) 1.034 9.160 ( 0.074 0.955 1.372) 1.674 9.221 ( 0.421 1.285 0.793) 1.568 9.282 ( -3.166 0.397 -0.943) 3.327 9.300 ( -3.659 0.751 -2.409) 4.445 9.441 ( -0.625 -5.150 0.418) 5.204 9.613 ( 4.317 2.381 0.585) 4.965 9.763 ( 0.040 -0.353 -3.130) 3.150 9.829 ( 2.582 0.112 1.271) 2.880 9.893 ( -0.130 -0.542 1.120) 1.251 9.989 ( 10.579 -8.276 4.506) 14.167 10.040 ( 5.345 -4.225 -1.306) 6.937 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 13.737 12.878 1.562) 18.894 1.501 ( 8.683 15.435 8.026) 19.443 1.599 ( 3.799 10.807 2.488) 11.722 1.740 ( 8.020 6.549 -6.970) 12.481 1.895 ( 10.460 4.786 -3.275) 11.960 2.016 ( -1.144 -0.343 -3.865) 4.045 2.163 ( -3.888 3.500 -4.196) 6.706 2.238 ( -1.265 -2.352 0.456) 2.710 2.350 ( 5.276 -2.434 -3.713) 6.895 2.378 ( -2.962 -3.852 6.028) 7.743 2.451 ( 1.447 -3.788 -0.728) 4.120 2.534 ( -6.459 -2.895 0.524) 7.098 2.558 ( -5.744 2.601 2.450) 6.765 2.710 ( 1.852 8.463 -1.296) 8.760 2.729 ( 5.405 -1.870 8.755) 10.457 2.749 ( 5.461 4.215 -0.452) 6.913 2.894 ( -1.092 1.281 6.271) 6.493 3.000 ( -2.047 -4.544 -0.569) 5.016 3.053 ( -4.716 4.154 4.186) 7.551 3.119 ( 1.540 -1.210 -4.959) 5.332 3.126 ( 1.898 -1.680 0.656) 2.618 3.173 ( -1.216 -5.880 0.316) 6.013 3.183 ( 0.041 -6.419 3.589) 7.354 3.275 ( 2.515 -6.668 3.284) 7.847 3.344 ( 0.072 -3.193 -4.381) 5.422 3.358 ( 0.263 -3.518 -0.272) 3.538 3.482 ( 0.038 -4.292 -3.662) 5.642 3.522 ( -0.298 -6.003 1.088) 6.108 3.561 ( 0.878 -4.319 -0.860) 4.490 3.674 ( 3.451 -1.402 -0.996) 3.855 3.709 ( -3.933 -6.328 3.237) 8.123 3.759 ( -1.126 -3.240 -0.977) 3.567 3.802 ( 2.390 -2.635 3.924) 5.297 3.863 ( 2.369 -3.873 1.287) 4.719 3.915 ( -0.968 -1.272 0.426) 1.655 3.920 ( 0.827 -0.951 -0.620) 1.404 4.000 ( -0.952 -0.774 -3.484) 3.694 4.065 ( 2.281 1.211 -1.462) 2.968 4.204 ( 6.108 0.415 0.755) 6.168 4.246 ( 1.948 -1.670 -5.765) 6.310 4.329 ( 0.851 -1.331 1.861) 2.442 4.383 ( -1.544 4.240 1.773) 4.848 4.388 ( 6.046 0.198 -2.076) 6.396 4.456 ( 1.166 1.235 2.716) 3.203 4.478 ( 3.346 0.314 -6.541) 7.354 4.515 ( 3.828 -1.437 1.904) 4.510 4.555 ( -2.871 -0.504 -2.054) 3.565 4.604 ( 4.418 3.366 2.279) 6.004 4.611 ( -3.873 -1.739 -1.003) 4.363 4.652 ( -2.258 -3.330 2.610) 4.796 4.699 ( 1.385 1.250 1.711) 2.532 4.730 ( -2.172 2.318 -0.846) 3.287 4.804 ( -0.411 3.403 0.709) 3.500 4.861 ( 2.161 -0.574 -2.031) 3.020 4.882 ( -4.943 -2.037 -2.114) 5.749 4.943 ( -1.477 -2.276 -1.870) 3.295 4.999 ( -0.876 -2.863 -2.619) 3.978 5.028 ( -1.501 -5.072 -0.262) 5.295 5.161 ( -1.038 -1.513 1.196) 2.190 5.184 ( -0.973 3.124 7.105) 7.822 5.223 ( -5.150 -1.600 -5.901) 7.994 5.305 ( 0.030 6.173 0.642) 6.206 5.320 ( 0.682 0.573 4.575) 4.661 5.391 ( -0.432 3.719 -0.811) 3.830 5.466 ( -1.292 -3.092 -3.537) 4.872 5.552 ( 0.858 1.915 0.366) 2.130 5.569 ( 0.073 1.941 -1.646) 2.546 5.694 ( 0.497 0.333 -3.712) 3.760 5.740 ( -4.055 3.180 -2.675) 5.806 5.816 ( -0.728 0.543 -2.739) 2.886 5.851 ( -1.018 0.632 0.922) 1.511 5.970 ( -3.325 -4.122 1.155) 5.421 5.993 ( -3.678 4.546 -1.626) 6.069 6.144 ( -7.304 1.769 -1.850) 7.740 6.214 ( -1.087 0.415 1.811) 2.153 6.282 ( 2.273 2.399 -0.916) 3.430 6.321 ( -2.448 -1.749 1.537) 3.379 6.400 ( 4.832 -0.275 7.653) 9.055 6.490 ( 2.403 3.638 0.427) 4.381 6.586 ( -1.278 1.965 4.320) 4.915 6.697 ( -0.476 1.493 -3.313) 3.665 6.775 ( -0.244 0.889 -0.144) 0.933 6.808 ( -0.965 1.552 -1.018) 2.092 6.823 ( -0.412 0.450 4.598) 4.638 6.894 ( -1.987 -0.246 0.167) 2.009 6.941 ( -0.125 0.451 -0.317) 0.565 6.997 ( -0.645 -0.216 -0.361) 0.771 7.026 ( 0.509 -0.559 -1.499) 1.679 7.071 ( -1.091 0.229 -0.243) 1.141 7.150 ( -3.442 -1.704 3.416) 5.140 7.292 ( 3.137 2.490 -1.112) 4.157 7.397 ( 0.930 -1.531 -1.742) 2.498 7.959 ( -0.188 -2.244 -0.500) 2.306 8.026 ( -0.599 -2.850 -0.173) 2.917 8.573 ( -4.890 6.707 0.443) 8.312 8.605 ( -4.380 5.461 -0.406) 7.012 9.156 ( 0.608 0.085 -0.661) 0.902 9.179 ( 1.193 -0.979 0.436) 1.604 9.218 ( -1.267 0.142 0.229) 1.295 9.256 ( 0.537 -1.353 -0.666) 1.601 9.286 ( 1.091 -0.095 1.007) 1.487 9.419 ( -2.035 -4.756 -0.661) 5.215 9.689 ( 1.158 3.266 -2.383) 4.205 9.740 ( 2.778 2.997 2.033) 4.564 9.865 ( 0.806 0.938 -0.283) 1.269 9.943 ( 2.694 -3.045 2.649) 4.852 10.032 ( 3.605 -4.181 -4.641) 7.212 10.220 ( 5.287 -9.128 2.291) 10.795 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 10.067 6.867 2.073) 12.361 1.676 ( 2.683 4.768 3.633) 6.568 1.687 ( 0.742 8.041 1.590) 8.230 1.779 ( -1.100 4.488 -3.510) 5.803 1.956 ( 10.636 8.817 -1.892) 13.944 2.008 ( -3.885 4.234 -1.887) 6.049 2.127 ( 5.189 4.764 -2.844) 7.597 2.200 ( -3.730 0.867 3.289) 5.048 2.308 ( -9.905 -2.216 -0.470) 10.161 2.344 ( -2.034 0.186 -4.975) 5.377 2.474 ( 1.911 0.807 2.655) 3.369 2.522 ( 6.403 -0.689 1.606) 6.637 2.580 ( 3.807 -0.763 1.701) 4.239 2.657 ( -2.519 1.158 -1.020) 2.954 2.774 ( -0.292 4.800 8.168) 9.478 2.915 ( 1.808 -1.447 1.290) 2.651 2.954 ( -4.124 1.731 -0.097) 4.474 2.990 ( -2.842 -3.897 0.408) 4.841 3.031 ( -0.361 -2.730 -0.750) 2.854 3.036 ( 0.186 1.267 -3.438) 3.668 3.084 ( 1.041 -0.668 0.010) 1.237 3.166 ( -3.333 -4.177 -2.084) 5.735 3.239 ( 4.762 -5.261 -1.251) 7.206 3.296 ( -0.790 -7.020 4.311) 8.276 3.338 ( -1.210 -4.743 -0.031) 4.895 3.399 ( 0.864 -7.841 -1.762) 8.083 3.485 ( 2.279 -8.477 -3.461) 9.436 3.524 ( 3.701 -0.734 3.305) 5.016 3.567 ( -2.892 -9.774 2.309) 10.451 3.652 ( -0.155 -2.449 -5.353) 5.889 3.742 ( -1.322 -5.003 1.727) 5.456 3.764 ( 3.958 -2.775 1.347) 5.018 3.797 ( -1.754 -1.547 1.835) 2.973 3.867 ( -0.678 1.358 -3.548) 3.859 3.903 ( -1.492 -2.054 1.070) 2.755 4.010 ( 6.903 1.213 1.508) 7.170 4.052 ( 2.256 1.937 4.007) 4.990 4.097 ( 1.915 1.685 0.041) 2.551 4.246 ( 4.465 -0.654 -3.795) 5.896 4.295 ( -5.268 -0.017 3.021) 6.072 4.333 ( 4.494 2.130 -3.615) 6.148 4.352 ( 1.453 3.020 -0.584) 3.402 4.382 ( -3.988 -0.157 -3.447) 5.273 4.461 ( -3.931 1.528 2.356) 4.831 4.467 ( 1.835 -4.514 -2.117) 5.313 4.496 ( 3.805 -2.139 -0.423) 4.386 4.536 ( -4.612 -3.221 3.600) 6.679 4.629 ( -1.309 -2.230 0.890) 2.734 4.652 ( 2.460 1.206 0.410) 2.770 4.706 ( 2.580 0.359 2.030) 3.302 4.718 ( 0.023 3.983 1.757) 4.353 4.777 ( 0.297 0.004 -0.522) 0.601 4.808 ( -1.577 2.051 1.207) 2.855 4.820 ( 1.303 2.438 -1.295) 3.053 4.853 ( -4.978 -1.535 -1.223) 5.351 4.892 ( 7.174 0.999 0.276) 7.249 4.974 ( 2.880 0.063 -1.240) 3.137 5.025 ( -1.523 1.013 -0.063) 1.831 5.063 ( -4.831 -0.765 -2.888) 5.680 5.132 ( -0.097 -0.013 -4.229) 4.230 5.195 ( -3.742 1.926 3.176) 5.272 5.277 ( -6.159 1.792 -2.903) 7.041 5.338 ( -0.451 3.492 -1.385) 3.784 5.372 ( -0.973 3.922 -0.829) 4.125 5.412 ( 2.749 0.094 3.876) 4.753 5.489 ( -1.188 -3.161 -0.250) 3.386 5.585 ( -2.126 -2.781 -4.472) 5.679 5.656 ( 4.205 -1.734 1.296) 4.729 5.768 ( -3.611 -0.476 -0.718) 3.712 5.775 ( 3.387 -0.842 -0.004) 3.490 5.837 ( -1.783 -0.804 1.159) 2.274 5.864 ( -5.932 -0.432 -1.214) 6.070 5.978 ( -1.471 3.578 -0.078) 3.869 6.073 ( 2.590 1.956 3.866) 5.048 6.188 ( -2.991 2.969 -1.755) 4.565 6.313 ( 1.716 3.117 -0.824) 3.653 6.338 ( 1.039 -0.770 2.447) 2.767 6.520 ( 3.712 -0.340 0.159) 3.731 6.586 ( 2.426 1.527 1.782) 3.376 6.607 ( 0.128 -0.923 1.742) 1.975 6.622 ( -2.494 2.703 -0.638) 3.732 6.754 ( -0.734 1.103 -0.371) 1.376 6.777 ( -1.352 3.248 -2.712) 4.443 6.831 ( -1.584 3.404 1.151) 3.927 6.891 ( 0.656 -3.853 2.513) 4.646 6.920 ( -1.382 -0.056 -0.405) 1.441 6.946 ( -1.550 -0.575 -1.857) 2.486 7.002 ( -0.723 2.582 -1.274) 2.969 7.103 ( 2.432 -0.446 1.098) 2.706 7.142 ( -1.740 -2.384 1.743) 3.428 7.328 ( 1.856 0.819 -0.774) 2.171 7.386 ( -0.751 -0.580 -0.195) 0.969 7.953 ( 0.009 -2.044 -0.234) 2.058 8.016 ( -0.308 -2.563 -0.067) 2.582 8.520 ( -0.778 5.422 -0.299) 5.486 8.541 ( -2.885 5.223 0.701) 6.008 9.159 ( 0.474 0.067 -0.512) 0.701 9.192 ( -0.425 -1.061 0.300) 1.182 9.219 ( 0.845 -1.226 0.551) 1.588 9.247 ( -0.299 -1.566 -1.377) 2.106 9.319 ( 0.838 -1.581 0.917) 2.011 9.376 ( -1.085 -1.257 -0.698) 1.801 9.667 ( 0.049 2.935 -1.145) 3.150 9.829 ( 2.086 3.429 2.211) 4.582 9.861 ( -0.281 0.524 -0.475) 0.761 10.004 ( 1.100 -5.062 1.004) 5.277 10.050 ( 2.287 -3.222 -2.002) 4.429 10.281 ( 0.931 -7.486 0.326) 7.551 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 12.439 0.000) 12.439 1.474 ( 0.000 0.699 0.000) 0.699 1.591 ( 0.000 15.295 0.000) 15.295 1.794 ( 0.000 12.205 0.000) 12.205 1.859 ( 0.000 -11.259 0.000) 11.259 2.013 ( 0.000 2.603 0.000) 2.603 2.048 ( 0.000 -6.028 0.000) 6.028 2.121 ( 0.000 -6.931 0.000) 6.931 2.270 ( 0.000 0.830 0.000) 0.830 2.307 ( 0.000 -2.013 0.000) 2.013 2.389 ( 0.000 4.465 0.000) 4.465 2.509 ( 0.000 -7.671 0.000) 7.671 2.601 ( 0.000 9.012 0.000) 9.012 2.765 ( 0.000 -3.019 0.000) 3.019 2.775 ( 0.000 4.780 0.000) 4.780 2.839 ( 0.000 0.995 0.000) 0.995 2.916 ( 0.000 3.604 0.000) 3.604 2.956 ( 0.000 -3.549 0.000) 3.549 2.994 ( 0.000 4.483 0.000) 4.483 3.024 ( 0.000 -3.755 0.000) 3.755 3.082 ( 0.000 -2.442 0.000) 2.442 3.100 ( 0.000 -2.996 0.000) 2.996 3.167 ( 0.000 -1.513 0.000) 1.513 3.212 ( 0.000 -2.883 0.000) 2.883 3.348 ( 0.000 6.018 0.000) 6.018 3.452 ( 0.000 2.756 0.000) 2.756 3.454 ( 0.000 -0.728 0.000) 0.728 3.529 ( 0.000 -2.388 0.000) 2.388 3.532 ( 0.000 -10.598 0.000) 10.598 3.571 ( 0.000 -2.599 0.000) 2.599 3.597 ( 0.000 2.003 0.000) 2.003 3.678 ( 0.000 -4.242 0.000) 4.242 3.732 ( 0.000 -0.063 0.000) 0.063 3.764 ( 0.000 1.590 0.000) 1.590 3.769 ( 0.000 -3.661 0.000) 3.661 3.880 ( 0.000 -9.210 0.000) 9.210 3.937 ( 0.000 1.538 0.000) 1.538 3.999 ( 0.000 -4.718 0.000) 4.718 4.103 ( 0.000 -0.416 0.000) 0.416 4.120 ( 0.000 -1.692 0.000) 1.692 4.224 ( 0.000 0.586 0.000) 0.586 4.228 ( 0.000 0.058 0.000) 0.058 4.407 ( 0.000 3.154 0.000) 3.154 4.462 ( 0.000 -1.669 0.000) 1.669 4.517 ( 0.000 3.779 0.000) 3.779 4.532 ( 0.000 5.170 0.000) 5.170 4.582 ( 0.000 1.053 0.000) 1.053 4.634 ( 0.000 -4.345 0.000) 4.345 4.654 ( 0.000 2.606 0.000) 2.606 4.659 ( 0.000 -3.520 0.000) 3.520 4.764 ( 0.000 1.594 0.000) 1.594 4.767 ( 0.000 3.948 0.000) 3.948 4.856 ( 0.000 0.856 0.000) 0.856 4.876 ( 0.000 -1.859 0.000) 1.859 4.882 ( 0.000 -1.116 0.000) 1.116 4.920 ( 0.000 -4.215 0.000) 4.215 5.001 ( 0.000 4.126 0.000) 4.126 5.073 ( 0.000 -2.342 0.000) 2.342 5.109 ( 0.000 3.352 0.000) 3.352 5.171 ( 0.000 -2.578 0.000) 2.578 5.270 ( 0.000 -2.109 0.000) 2.109 5.284 ( 0.000 -1.777 0.000) 1.777 5.393 ( 0.000 0.432 0.000) 0.432 5.434 ( 0.000 -2.759 0.000) 2.759 5.500 ( 0.000 2.446 0.000) 2.446 5.553 ( 0.000 -2.717 0.000) 2.717 5.650 ( 0.000 4.479 0.000) 4.479 5.713 ( 0.000 -0.549 0.000) 0.549 5.785 ( 0.000 3.529 0.000) 3.529 5.799 ( 0.000 1.349 0.000) 1.349 5.870 ( 0.000 -1.204 0.000) 1.204 5.919 ( 0.000 -5.865 0.000) 5.865 6.162 ( 0.000 5.274 0.000) 5.274 6.220 ( 0.000 -0.780 0.000) 0.780 6.327 ( 0.000 1.892 0.000) 1.892 6.358 ( 0.000 -0.939 0.000) 0.939 6.451 ( 0.000 3.188 0.000) 3.188 6.486 ( 0.000 1.102 0.000) 1.102 6.525 ( 0.000 1.727 0.000) 1.727 6.561 ( 0.000 -3.342 0.000) 3.342 6.677 ( 0.000 3.857 0.000) 3.857 6.717 ( 0.000 -0.626 0.000) 0.626 6.756 ( 0.000 -0.394 0.000) 0.394 6.797 ( 0.000 -3.493 0.000) 3.493 6.917 ( 0.000 1.654 0.000) 1.654 6.939 ( 0.000 -0.414 0.000) 0.414 6.996 ( 0.000 3.283 0.000) 3.283 7.071 ( 0.000 -3.740 0.000) 3.740 7.158 ( 0.000 3.752 0.000) 3.752 7.202 ( 0.000 -0.831 0.000) 0.831 7.282 ( 0.000 2.954 0.000) 2.954 7.348 ( 0.000 -3.772 0.000) 3.772 7.956 ( 0.000 0.475 0.000) 0.475 7.984 ( 0.000 -2.271 0.000) 2.271 8.757 ( 0.000 3.013 0.000) 3.013 8.791 ( 0.000 -0.792 0.000) 0.792 9.149 ( 0.000 0.850 0.000) 0.850 9.161 ( 0.000 -0.064 0.000) 0.064 9.256 ( 0.000 3.396 0.000) 3.396 9.333 ( 0.000 -4.049 0.000) 4.049 9.399 ( 0.000 4.156 0.000) 4.156 9.491 ( 0.000 -5.010 0.000) 5.010 9.591 ( 0.000 0.433 0.000) 0.433 9.592 ( 0.000 0.320 0.000) 0.320 9.772 ( 0.000 -0.108 0.000) 0.108 9.779 ( 0.000 -0.440 0.000) 0.440 9.926 ( 0.000 1.464 0.000) 1.464 9.970 ( 0.000 -2.693 0.000) 2.693 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 5.034 12.827 -1.864) 13.905 1.540 ( 8.350 0.425 -1.387) 8.475 1.672 ( 6.023 13.311 2.742) 14.866 1.799 ( 6.225 3.795 -0.836) 7.338 1.931 ( 1.395 5.657 -5.000) 7.678 1.963 ( -0.191 -2.865 1.125) 3.084 2.106 ( 0.566 -8.763 2.300) 9.078 2.146 ( 6.762 -8.387 -3.703) 11.392 2.280 ( 0.990 4.213 1.882) 4.720 2.347 ( -0.310 -2.210 2.123) 3.080 2.444 ( 1.019 2.038 2.723) 3.550 2.510 ( -3.397 -4.985 -0.671) 6.070 2.583 ( -3.660 6.285 4.378) 8.489 2.728 ( 1.962 -4.781 3.291) 6.127 2.782 ( -4.320 2.515 -2.840) 5.750 2.815 ( 3.141 2.400 -0.390) 3.972 2.887 ( -0.859 4.550 -2.566) 5.294 2.932 ( 1.844 2.975 3.590) 5.014 3.019 ( 3.068 -2.706 -1.303) 4.293 3.029 ( -1.760 -2.493 -0.215) 3.059 3.079 ( 0.704 0.399 -0.802) 1.139 3.135 ( -2.791 -1.103 -1.301) 3.270 3.178 ( 1.765 -2.438 -2.903) 4.181 3.204 ( 4.223 -4.084 0.584) 5.904 3.329 ( -9.013 4.433 2.890) 10.452 3.393 ( -0.694 0.435 -0.609) 1.021 3.437 ( -1.888 -0.128 2.172) 2.881 3.487 ( -2.485 -1.943 -2.598) 4.087 3.533 ( -0.732 -1.449 0.079) 1.625 3.584 ( 1.310 -4.785 5.514) 7.417 3.628 ( 1.383 -0.990 1.204) 2.084 3.663 ( -2.797 -1.512 2.019) 3.767 3.697 ( -0.837 -3.572 2.875) 4.661 3.754 ( -1.371 -4.401 -2.360) 5.178 3.855 ( 3.495 -0.720 1.343) 3.813 3.881 ( 2.261 -3.080 0.499) 3.853 4.030 ( 0.320 -0.818 -0.468) 0.996 4.037 ( 1.684 -1.558 2.488) 3.385 4.096 ( 3.011 -0.097 0.421) 3.042 4.121 ( 6.371 -2.452 -2.159) 7.160 4.244 ( 1.507 0.214 1.656) 2.249 4.281 ( 5.940 -2.681 -0.935) 6.583 4.396 ( 0.854 2.614 -4.381) 5.173 4.475 ( 2.105 -2.456 -4.592) 5.616 4.510 ( -1.969 3.285 0.190) 3.835 4.529 ( 0.121 1.416 0.865) 1.664 4.554 ( -0.826 3.449 0.137) 3.549 4.602 ( 1.450 -0.256 -1.181) 1.888 4.665 ( 0.564 -0.139 -1.334) 1.455 4.716 ( -0.726 -2.308 -1.540) 2.868 4.738 ( 2.345 1.829 -3.204) 4.372 4.802 ( -2.566 -0.049 -2.761) 3.770 4.817 ( 2.125 2.226 1.001) 3.236 4.886 ( -5.244 1.713 0.918) 5.592 4.902 ( 1.826 0.046 2.190) 2.852 4.918 ( -4.657 -2.275 -1.129) 5.305 4.926 ( 2.148 -1.941 1.441) 3.234 4.989 ( -4.691 -3.573 -2.145) 6.275 5.146 ( -0.755 3.512 4.920) 6.092 5.180 ( -1.261 1.137 3.451) 3.846 5.248 ( 3.703 -1.579 -5.526) 6.837 5.295 ( 1.455 -4.818 -3.861) 6.344 5.403 ( -1.119 2.599 3.731) 4.683 5.432 ( -2.188 -0.152 1.271) 2.535 5.493 ( 0.885 -0.434 0.819) 1.282 5.505 ( -1.015 -2.018 -4.437) 4.979 5.645 ( 0.061 5.527 -1.047) 5.625 5.716 ( 0.403 -0.160 -1.502) 1.563 5.834 ( 1.790 -0.200 0.410) 1.847 5.844 ( 3.159 0.374 -0.837) 3.290 5.887 ( 1.712 1.730 0.813) 2.567 5.950 ( -0.295 -3.337 0.921) 3.475 6.147 ( 0.387 3.593 1.246) 3.823 6.194 ( -3.021 -0.701 -0.064) 3.102 6.304 ( -3.022 0.230 -2.024) 3.644 6.314 ( -5.723 -0.177 -1.866) 6.022 6.357 ( -6.053 2.280 0.914) 6.532 6.386 ( -6.207 0.611 -0.887) 6.300 6.520 ( 0.364 2.085 1.910) 2.851 6.575 ( 0.201 -2.812 3.394) 4.412 6.694 ( -0.606 3.806 2.442) 4.562 6.761 ( -0.285 -1.688 3.151) 3.586 6.802 ( 2.249 0.417 0.722) 2.399 6.820 ( 3.018 -1.326 0.274) 3.308 6.928 ( 1.082 1.081 0.267) 1.552 6.953 ( 1.222 -1.115 -0.398) 1.701 6.970 ( -2.362 3.012 0.359) 3.845 7.033 ( -3.078 -2.920 -0.159) 4.246 7.140 ( -2.256 2.565 -0.253) 3.426 7.176 ( -2.932 -1.067 -0.218) 3.128 7.305 ( 2.690 2.529 -0.854) 3.790 7.352 ( 1.799 -2.444 -1.760) 3.508 7.953 ( -0.130 0.613 -0.275) 0.684 7.983 ( -0.084 -2.251 -0.162) 2.258 8.735 ( -2.818 2.855 0.292) 4.022 8.760 ( -3.269 0.228 -0.767) 3.366 9.154 ( 0.579 0.709 -0.226) 0.942 9.167 ( 0.143 -0.313 0.066) 0.350 9.265 ( -0.049 3.105 1.113) 3.299 9.294 ( -5.729 0.839 -1.591) 6.004 9.306 ( -4.626 -0.249 -2.511) 5.270 9.344 ( -1.446 -4.514 0.190) 4.744 9.679 ( 6.828 3.930 0.357) 7.886 9.743 ( 5.285 -1.956 -2.269) 6.075 9.832 ( 2.284 -0.008 3.066) 3.823 9.864 ( 6.472 -4.006 4.771) 8.983 9.907 ( -0.059 2.317 -1.098) 2.564 9.967 ( 1.908 -3.505 -1.978) 4.454 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 8.113 11.366 0.489) 13.973 1.678 ( 4.224 0.558 0.911) 4.357 1.828 ( 7.396 9.479 2.616) 12.304 1.916 ( 1.976 9.186 3.973) 10.202 1.947 ( 0.024 -2.432 -1.604) 2.913 2.014 ( 15.365 6.794 -5.602) 17.710 2.107 ( -2.541 -8.426 2.680) 9.199 2.212 ( 2.297 -4.732 -2.678) 5.902 2.300 ( 2.098 0.314 -6.260) 6.610 2.339 ( 2.128 -0.660 2.623) 3.442 2.398 ( -2.229 -0.099 -1.173) 2.521 2.453 ( 0.066 -4.459 -0.064) 4.460 2.632 ( 1.009 3.968 1.495) 4.359 2.710 ( -0.177 -0.088 3.524) 3.530 2.804 ( -2.574 4.141 -2.534) 5.496 2.853 ( -5.248 1.599 -1.527) 5.694 2.872 ( 3.140 -3.058 3.760) 5.775 2.935 ( -2.402 -3.898 -2.302) 5.125 3.023 ( 1.171 0.294 2.882) 3.124 3.075 ( -0.999 -1.134 6.745) 6.912 3.081 ( -0.968 -1.755 2.158) 2.945 3.107 ( 1.144 -5.523 3.090) 6.431 3.202 ( 2.297 3.142 -2.837) 4.816 3.228 ( -1.831 3.718 -0.421) 4.166 3.279 ( 1.330 -3.299 -0.396) 3.579 3.302 ( -2.776 -1.784 -4.083) 5.250 3.404 ( -5.114 -1.161 1.140) 5.367 3.435 ( -2.682 -3.395 0.867) 4.412 3.563 ( -4.800 1.604 1.240) 5.210 3.594 ( 4.794 -0.387 2.189) 5.284 3.659 ( -1.439 -5.685 0.994) 5.948 3.678 ( 0.075 -2.339 -3.290) 4.037 3.735 ( 3.539 -1.680 3.929) 5.549 3.770 ( 2.813 -3.706 4.803) 6.687 3.918 ( 3.435 2.306 2.108) 4.643 3.944 ( 2.824 0.429 0.517) 2.902 4.015 ( 1.050 1.398 -1.690) 2.431 4.056 ( 3.416 -2.161 -1.551) 4.330 4.197 ( 3.950 2.251 2.176) 5.040 4.252 ( 3.893 -0.677 -0.386) 3.970 4.311 ( 3.875 0.134 0.140) 3.880 4.355 ( 2.305 -3.884 -0.072) 4.517 4.394 ( 0.083 -1.353 -4.530) 4.729 4.417 ( 6.440 -4.347 -0.100) 7.771 4.518 ( -1.527 3.720 -1.499) 4.292 4.535 ( -0.467 3.376 0.227) 3.416 4.563 ( 0.291 1.268 -1.167) 1.748 4.580 ( -1.699 -2.658 -0.663) 3.224 4.622 ( -3.197 1.990 -3.381) 5.061 4.680 ( 0.458 1.385 -0.688) 1.613 4.705 ( -0.165 -0.167 -1.322) 1.343 4.757 ( 0.722 -0.765 -1.197) 1.593 4.819 ( -0.459 0.037 1.299) 1.379 4.835 ( -1.304 -0.859 0.056) 1.562 4.882 ( 3.337 -1.442 -1.834) 4.072 4.902 ( -1.372 -4.213 -4.019) 5.982 4.929 ( -1.286 2.969 1.201) 3.452 4.973 ( 0.460 -1.645 1.629) 2.360 5.167 ( -0.004 2.538 -0.843) 2.674 5.216 ( 0.243 2.332 -3.065) 3.858 5.231 ( -2.950 -1.500 3.735) 4.991 5.286 ( 0.804 -3.339 -0.983) 3.572 5.390 ( -1.480 0.033 -2.223) 2.671 5.411 ( -0.067 -0.017 0.692) 0.696 5.477 ( 0.215 5.015 1.875) 5.358 5.561 ( 3.069 -2.379 0.866) 3.978 5.614 ( -1.152 3.950 -2.442) 4.784 5.681 ( -1.924 -1.927 -4.579) 5.328 5.786 ( -8.295 1.397 -1.883) 8.620 5.819 ( -3.321 -1.749 -1.411) 4.010 5.882 ( -3.481 2.534 0.900) 4.399 5.911 ( -3.296 -0.761 2.445) 4.173 6.085 ( -3.421 3.915 -1.974) 5.560 6.146 ( -6.170 -1.852 -2.172) 6.798 6.225 ( 1.131 1.102 1.874) 2.450 6.268 ( -1.428 -2.757 2.224) 3.819 6.336 ( 1.502 2.186 1.327) 2.965 6.373 ( 3.942 -1.622 3.664) 5.621 6.559 ( 2.190 4.116 0.523) 4.692 6.631 ( 0.872 -0.970 4.244) 4.440 6.697 ( -1.574 1.433 0.090) 2.131 6.757 ( -2.412 -3.024 1.699) 4.225 6.828 ( 0.271 2.054 -2.013) 2.889 6.850 ( 0.967 0.317 -1.489) 1.803 6.913 ( -1.806 1.666 0.733) 2.564 6.938 ( -1.036 -0.950 -1.267) 1.892 6.988 ( 0.370 0.928 1.754) 2.019 7.021 ( 0.991 -1.294 2.011) 2.589 7.081 ( -2.933 1.023 -0.605) 3.165 7.111 ( -3.992 -1.912 1.519) 4.680 7.338 ( 1.903 1.962 -1.133) 2.959 7.369 ( 1.413 -1.354 -1.167) 2.278 7.948 ( -0.008 0.793 -0.367) 0.873 7.978 ( -0.134 -2.074 -0.246) 2.093 8.663 ( -5.056 2.456 0.035) 5.620 8.672 ( -4.663 1.441 -0.400) 4.897 9.159 ( 0.471 0.187 -0.611) 0.794 9.165 ( 0.186 -0.458 -0.009) 0.494 9.221 ( -1.681 0.059 -0.657) 1.806 9.230 ( -0.705 -0.964 -1.060) 1.596 9.296 ( 0.790 1.425 0.844) 1.835 9.341 ( -0.073 -3.142 0.148) 3.146 9.767 ( 1.330 4.296 -2.988) 5.400 9.803 ( 5.317 2.626 1.729) 6.177 9.875 ( -0.067 -2.494 -0.891) 2.650 9.890 ( 1.363 -0.917 1.223) 2.049 9.973 ( 3.748 0.414 -0.872) 3.870 10.061 ( 4.864 -6.913 2.308) 8.762 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 4.023 4.918 1.435) 6.514 1.719 ( -0.472 -0.374 1.120) 1.272 1.850 ( -0.708 9.146 -2.595) 9.533 1.919 ( -0.794 8.519 -0.596) 8.577 2.052 ( 2.714 -3.150 0.145) 4.160 2.068 ( -1.201 -7.083 2.462) 7.595 2.196 ( -0.617 5.908 0.275) 5.946 2.223 ( 10.970 7.371 -2.848) 13.520 2.285 ( 0.488 -0.435 -2.129) 2.227 2.367 ( 1.583 -0.507 -3.281) 3.678 2.494 ( 0.219 3.297 1.967) 3.845 2.568 ( 8.752 -0.352 4.221) 9.723 2.580 ( 3.555 3.924 1.819) 5.598 2.667 ( -6.344 -1.423 -0.683) 6.537 2.806 ( -3.915 -4.333 -0.643) 5.875 2.822 ( 0.670 -4.436 2.334) 5.057 2.887 ( 6.275 0.114 3.061) 6.983 2.960 ( 0.584 -3.027 0.408) 3.110 3.018 ( -5.814 1.033 1.713) 6.148 3.046 ( -3.165 0.968 -0.405) 3.334 3.079 ( -1.854 -2.396 -2.480) 3.916 3.118 ( -3.151 -2.883 2.127) 4.771 3.136 ( -3.594 -0.180 0.239) 3.607 3.211 ( -0.474 -3.213 -2.415) 4.047 3.258 ( 4.287 -0.726 -3.275) 5.444 3.305 ( 2.068 -2.149 -2.256) 3.739 3.353 ( 0.267 -3.423 -0.842) 3.535 3.397 ( -7.176 -6.365 6.928) 11.832 3.515 ( -0.332 0.546 0.622) 0.892 3.569 ( -3.047 -4.655 -3.684) 6.673 3.694 ( 1.201 -0.896 0.652) 1.635 3.700 ( 2.751 -1.801 0.322) 3.304 3.811 ( 1.264 1.333 2.214) 2.877 3.849 ( 0.753 -2.273 1.971) 3.101 3.953 ( 0.234 4.076 -1.352) 4.301 4.026 ( 1.789 -2.700 3.891) 5.062 4.086 ( 7.698 5.147 -1.227) 9.341 4.153 ( 3.941 2.165 1.184) 4.650 4.212 ( 4.196 -0.861 -4.066) 5.906 4.280 ( -0.527 -3.582 -1.080) 3.778 4.333 ( 0.780 0.284 -1.840) 2.018 4.367 ( 2.790 -1.716 -1.495) 3.600 4.401 ( -5.413 0.452 0.536) 5.458 4.408 ( -5.474 -0.927 -1.761) 5.825 4.469 ( 0.174 2.354 0.718) 2.467 4.507 ( -2.645 0.465 -0.394) 2.714 4.530 ( -0.463 2.321 1.537) 2.822 4.578 ( -1.330 -2.234 1.703) 3.108 4.666 ( 6.787 -0.349 0.669) 6.829 4.692 ( 5.155 -2.572 -0.843) 5.823 4.718 ( -0.400 1.859 1.793) 2.614 4.785 ( -3.957 -3.561 0.231) 5.329 4.831 ( 1.581 2.925 0.156) 3.328 4.872 ( 3.492 -0.355 -0.277) 3.521 4.884 ( 2.468 3.165 1.036) 4.145 4.921 ( 1.569 2.386 3.842) 4.787 4.957 ( 3.834 -1.100 -1.228) 4.173 4.994 ( 0.444 -2.282 0.522) 2.383 5.098 ( -1.658 2.275 -5.567) 6.238 5.133 ( -1.917 -0.410 -4.598) 4.998 5.236 ( -2.266 2.023 3.370) 4.537 5.275 ( -1.536 -1.276 1.570) 2.540 5.373 ( -0.416 0.338 -0.499) 0.733 5.419 ( 0.523 0.736 -2.673) 2.821 5.430 ( -5.516 1.259 -2.169) 6.059 5.496 ( -3.932 2.807 -0.834) 4.903 5.520 ( -3.964 -1.798 -5.109) 6.712 5.607 ( -1.473 -4.110 1.179) 4.523 5.729 ( 0.934 -0.327 1.910) 2.151 5.766 ( -0.082 -1.114 -0.400) 1.187 5.821 ( -3.034 0.545 0.433) 3.113 5.855 ( -3.834 -1.542 -0.358) 4.148 6.048 ( -1.632 2.858 0.584) 3.342 6.082 ( -0.178 -0.740 1.373) 1.569 6.261 ( 1.185 3.643 0.750) 3.903 6.315 ( 3.414 -1.859 1.879) 4.318 6.398 ( 1.899 5.124 1.074) 5.569 6.483 ( 2.467 -3.197 1.943) 4.481 6.599 ( 2.610 1.672 -1.563) 3.472 6.620 ( -3.559 0.191 -3.089) 4.717 6.662 ( -2.285 1.885 2.180) 3.678 6.741 ( 0.199 -5.559 0.976) 5.648 6.813 ( 0.155 1.686 -0.771) 1.860 6.825 ( -0.620 1.475 -1.298) 2.060 6.905 ( -0.564 0.394 0.692) 0.976 6.917 ( 0.179 -0.896 -1.005) 1.359 6.974 ( -2.390 4.652 1.224) 5.372 7.045 ( -0.706 1.208 -0.155) 1.408 7.065 ( 0.708 -2.564 1.154) 2.900 7.095 ( -0.314 -2.461 1.366) 2.832 7.349 ( 0.658 1.198 -0.717) 1.543 7.370 ( -0.042 -0.962 -0.348) 1.024 7.946 ( 0.085 0.898 -0.144) 0.914 7.975 ( -0.047 -1.795 -0.084) 1.798 8.595 ( -1.858 2.193 -0.151) 2.878 8.605 ( -2.436 1.276 0.301) 2.766 9.165 ( 0.601 0.376 -0.037) 0.710 9.174 ( 0.097 -0.679 0.366) 0.777 9.199 ( -0.301 -0.309 -0.621) 0.756 9.214 ( -0.044 -1.597 -0.959) 1.863 9.312 ( 0.210 0.834 0.430) 0.961 9.341 ( -0.001 -1.921 0.042) 1.922 9.750 ( 0.140 5.329 -1.263) 5.478 9.851 ( -0.212 -3.300 -1.118) 3.490 9.902 ( 3.075 1.395 1.562) 3.720 9.933 ( 0.398 -0.470 0.989) 1.165 10.011 ( 1.447 1.909 -0.720) 2.501 10.129 ( 1.258 -7.723 0.573) 7.846 ======================= Grid point 49 (17/60) ======================= q-point: ( 0.00 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -2.103 0.000 26.465) 26.548 0.507 ( 17.465 0.000 25.855) 31.201 0.875 ( -12.307 0.000 43.176) 44.896 1.370 ( -11.957 0.000 -17.005) 20.788 1.529 ( 3.397 0.000 -23.053) 23.302 1.930 ( 5.609 0.000 -1.147) 5.725 2.001 ( 5.775 0.000 -3.204) 6.604 2.272 ( 0.880 0.000 -17.942) 17.964 2.338 ( -2.771 0.000 3.577) 4.525 2.384 ( 2.599 0.000 0.308) 2.618 2.459 ( 4.353 0.000 -0.884) 4.442 2.511 ( 2.815 0.000 12.175) 12.496 2.690 ( 0.995 0.000 -7.273) 7.341 2.789 ( -7.593 0.000 8.090) 11.096 2.809 ( 5.775 0.000 2.014) 6.116 2.911 ( -4.183 0.000 -5.654) 7.033 2.964 ( 7.923 0.000 9.469) 12.346 3.010 ( -7.972 0.000 -2.018) 8.224 3.050 ( -6.055 0.000 3.709) 7.101 3.151 ( 0.260 0.000 -0.484) 0.549 3.173 ( -2.015 0.000 3.507) 4.044 3.251 ( 3.281 0.000 1.346) 3.546 3.348 ( -0.617 0.000 -2.322) 2.402 3.401 ( 1.244 0.000 -1.003) 1.598 3.419 ( -2.746 0.000 0.605) 2.812 3.506 ( 0.211 0.000 0.834) 0.860 3.592 ( -1.998 0.000 -8.918) 9.139 3.603 ( 1.526 0.000 -0.459) 1.594 3.675 ( 9.066 0.000 1.791) 9.241 3.733 ( -1.015 0.000 -1.209) 1.578 3.823 ( 4.715 0.000 0.007) 4.715 3.833 ( -5.167 0.000 -1.770) 5.462 3.899 ( 1.026 0.000 -1.633) 1.929 3.922 ( -2.935 0.000 -2.706) 3.992 3.945 ( -3.083 0.000 0.359) 3.104 4.022 ( -0.786 0.000 -2.941) 3.044 4.052 ( 0.117 0.000 2.288) 2.291 4.070 ( 5.508 0.000 -0.158) 5.511 4.138 ( 0.172 0.000 -0.853) 0.870 4.194 ( 3.079 0.000 4.477) 5.434 4.226 ( -0.276 0.000 2.437) 2.453 4.250 ( -1.377 0.000 -1.511) 2.045 4.370 ( -3.996 0.000 -0.789) 4.074 4.394 ( -0.732 0.000 -7.773) 7.808 4.411 ( 3.164 0.000 6.598) 7.318 4.476 ( 0.668 0.000 6.750) 6.783 4.579 ( -2.858 0.000 11.365) 11.718 4.586 ( -2.756 0.000 0.293) 2.772 4.684 ( 5.182 0.000 2.880) 5.928 4.686 ( -4.419 0.000 -2.116) 4.899 4.754 ( -2.481 0.000 2.508) 3.528 4.836 ( 2.561 0.000 -1.378) 2.908 4.848 ( 2.319 0.000 2.369) 3.315 4.878 ( -0.843 0.000 -3.090) 3.203 4.906 ( -4.122 0.000 -0.010) 4.122 4.931 ( 2.371 0.000 -1.668) 2.899 4.979 ( 2.220 0.000 -10.351) 10.586 5.034 ( 0.220 0.000 2.807) 2.816 5.106 ( 6.352 0.000 -7.039) 9.481 5.130 ( -1.657 0.000 3.509) 3.881 5.179 ( -1.933 0.000 0.847) 2.111 5.312 ( -4.606 0.000 -8.023) 9.251 5.343 ( 0.135 0.000 1.404) 1.410 5.421 ( -0.287 0.000 -0.259) 0.386 5.476 ( 3.781 0.000 -3.428) 5.103 5.510 ( -0.666 0.000 -6.861) 6.893 5.696 ( 7.583 0.000 2.481) 7.979 5.729 ( -0.374 0.000 0.855) 0.933 5.771 ( -6.135 0.000 0.049) 6.135 5.775 ( 2.686 0.000 0.205) 2.694 5.831 ( -5.229 0.000 1.333) 5.397 5.948 ( 7.094 0.000 -3.016) 7.708 6.115 ( -1.717 0.000 -0.901) 1.940 6.128 ( -0.743 0.000 -1.625) 1.787 6.169 ( -1.992 0.000 4.487) 4.909 6.289 ( -0.837 0.000 5.165) 5.233 6.306 ( 1.386 0.000 -1.848) 2.310 6.397 ( -1.691 0.000 -0.269) 1.712 6.410 ( 0.634 0.000 6.502) 6.533 6.593 ( -1.014 0.000 2.615) 2.805 6.640 ( 3.647 0.000 0.351) 3.663 6.691 ( 1.065 0.000 -2.932) 3.120 6.820 ( 2.377 0.000 1.407) 2.762 6.831 ( -2.337 0.000 0.158) 2.343 6.843 ( -4.013 0.000 1.276) 4.212 6.883 ( 4.403 0.000 1.560) 4.671 7.014 ( 4.437 0.000 -0.472) 4.462 7.065 ( -5.620 0.000 -1.859) 5.919 7.117 ( -2.390 0.000 -1.486) 2.814 7.121 ( 0.027 0.000 -0.760) 0.760 7.281 ( -2.247 0.000 2.068) 3.054 7.376 ( -0.893 0.000 -1.776) 1.988 8.169 ( -1.371 0.000 1.335) 1.914 8.222 ( 0.945 0.000 -0.957) 1.345 8.421 ( -4.363 0.000 0.228) 4.369 8.427 ( 0.264 0.000 0.075) 0.274 9.155 ( -0.684 0.000 0.856) 1.096 9.195 ( 1.194 0.000 -0.856) 1.469 9.252 ( 0.322 0.000 0.680) 0.753 9.287 ( 0.027 0.000 -0.514) 0.514 9.357 ( -24.397 0.000 0.591) 24.404 9.437 ( 4.002 0.000 -2.170) 4.552 9.665 ( -2.796 0.000 3.146) 4.209 9.809 ( 2.386 0.000 -3.392) 4.147 9.859 ( 2.341 0.000 1.004) 2.547 9.887 ( -2.401 0.000 0.390) 2.432 10.076 ( 35.948 0.000 0.152) 35.948 10.090 ( -6.839 0.000 -0.461) 6.854 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 12.643 0.000 17.966) 21.969 0.982 ( 2.587 0.000 27.656) 27.777 1.054 ( 5.674 0.000 -16.556) 17.501 1.354 ( 16.262 0.000 -10.067) 19.126 1.439 ( 17.600 0.000 6.469) 18.751 1.852 ( -7.961 0.000 -6.595) 10.338 2.098 ( 8.368 0.000 6.965) 10.888 2.239 ( 12.728 0.000 -17.303) 21.480 2.301 ( -3.340 0.000 -0.106) 3.342 2.423 ( -2.309 0.000 1.185) 2.596 2.472 ( -6.410 0.000 -4.265) 7.699 2.489 ( 4.270 0.000 -2.328) 4.864 2.644 ( -5.721 0.000 7.776) 9.654 2.741 ( -1.325 0.000 -6.376) 6.512 2.836 ( 1.347 0.000 1.540) 2.046 2.870 ( -8.066 0.000 -2.418) 8.420 2.907 ( -4.910 0.000 6.855) 8.432 3.026 ( -3.015 0.000 7.222) 7.826 3.123 ( -1.447 0.000 6.428) 6.589 3.128 ( 1.994 0.000 -4.866) 5.259 3.252 ( 2.646 0.000 0.784) 2.760 3.293 ( 1.053 0.000 0.035) 1.053 3.348 ( -1.788 0.000 1.249) 2.181 3.385 ( 5.286 0.000 4.944) 7.238 3.399 ( -0.741 0.000 -6.060) 6.105 3.521 ( 0.919 0.000 -1.425) 1.695 3.564 ( 6.072 0.000 -2.321) 6.500 3.622 ( 0.232 0.000 -1.063) 1.089 3.694 ( 2.562 0.000 -0.833) 2.694 3.722 ( -4.509 0.000 1.571) 4.775 3.774 ( -3.726 0.000 -2.592) 4.539 3.809 ( -0.644 0.000 -3.178) 3.242 3.872 ( -5.059 0.000 2.272) 5.546 3.880 ( 3.760 0.000 -3.603) 5.207 3.917 ( 2.243 0.000 0.291) 2.262 3.973 ( -1.009 0.000 -2.061) 2.295 4.053 ( 0.452 0.000 -1.938) 1.990 4.138 ( 0.274 0.000 4.096) 4.105 4.152 ( -1.068 0.000 2.074) 2.332 4.224 ( -2.953 0.000 -3.097) 4.279 4.277 ( 1.884 0.000 2.724) 3.312 4.291 ( 3.879 0.000 -4.699) 6.093 4.324 ( 2.116 0.000 -0.454) 2.164 4.373 ( 7.434 0.000 4.321) 8.598 4.500 ( -4.061 0.000 -1.134) 4.216 4.520 ( -1.048 0.000 6.634) 6.716 4.580 ( 0.340 0.000 -7.029) 7.037 4.591 ( 1.530 0.000 10.022) 10.138 4.698 ( 1.881 0.000 4.231) 4.630 4.741 ( -7.948 0.000 -6.089) 10.013 4.742 ( -4.025 0.000 3.181) 5.130 4.805 ( 0.571 0.000 -1.180) 1.310 4.826 ( 0.606 0.000 3.283) 3.338 4.884 ( 0.966 0.000 -1.626) 1.891 4.902 ( 1.201 0.000 -6.125) 6.241 4.921 ( 1.923 0.000 2.283) 2.985 4.946 ( 0.262 0.000 -0.997) 1.031 5.067 ( 1.518 0.000 6.122) 6.307 5.069 ( -0.189 0.000 -3.568) 3.573 5.181 ( 1.065 0.000 5.529) 5.631 5.187 ( 6.742 0.000 -6.187) 9.151 5.315 ( -0.637 0.000 0.724) 0.964 5.347 ( -9.224 0.000 0.951) 9.273 5.364 ( 5.652 0.000 -6.461) 8.584 5.436 ( 0.041 0.000 -3.364) 3.365 5.456 ( 1.470 0.000 -3.447) 3.747 5.583 ( -5.814 0.000 -3.679) 6.880 5.657 ( -7.132 0.000 -0.021) 7.132 5.720 ( -2.449 0.000 0.834) 2.588 5.791 ( -3.846 0.000 -0.365) 3.864 5.893 ( 3.748 0.000 -0.302) 3.760 6.034 ( 0.514 0.000 -2.919) 2.964 6.086 ( -1.753 0.000 0.884) 1.963 6.134 ( 4.332 0.000 0.764) 4.399 6.141 ( -4.428 0.000 5.695) 7.214 6.268 ( -2.171 0.000 -3.811) 4.386 6.305 ( -0.249 0.000 4.000) 4.008 6.348 ( -2.816 0.000 -1.648) 3.263 6.492 ( -1.662 0.000 9.717) 9.858 6.601 ( -0.407 0.000 2.096) 2.135 6.614 ( -2.396 0.000 -7.751) 8.113 6.704 ( 4.260 0.000 -1.238) 4.436 6.753 ( -4.943 0.000 -0.415) 4.961 6.837 ( 1.265 0.000 5.428) 5.573 6.905 ( 3.013 0.000 0.117) 3.015 6.946 ( -4.564 0.000 -0.079) 4.565 7.001 ( 5.406 0.000 -1.736) 5.678 7.045 ( -0.452 0.000 -0.595) 0.748 7.082 ( -0.301 0.000 0.355) 0.466 7.164 ( 2.220 0.000 -1.536) 2.700 7.250 ( -2.497 0.000 4.758) 5.374 7.376 ( 1.614 0.000 -2.314) 2.821 8.152 ( -1.644 0.000 0.860) 1.855 8.221 ( -0.059 0.000 -0.580) 0.583 8.346 ( -5.538 0.000 3.142) 6.368 8.409 ( -2.228 0.000 0.347) 2.255 9.155 ( -0.194 0.000 0.427) 0.469 9.205 ( 1.029 0.000 -0.537) 1.161 9.228 ( -0.825 0.000 4.870) 4.940 9.271 ( -1.562 0.000 0.649) 1.691 9.275 ( 0.691 0.000 0.138) 0.705 9.556 ( 7.425 0.000 1.377) 7.551 9.669 ( -1.239 0.000 2.125) 2.460 9.731 ( -8.944 0.000 -1.037) 9.004 9.840 ( 1.325 0.000 -1.775) 2.215 9.929 ( 4.145 0.000 1.424) 4.383 10.006 ( 2.452 0.000 -6.006) 6.487 10.386 ( 10.392 0.000 -7.860) 13.030 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 0.00 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 20.271 0.000 -3.800) 20.624 1.312 ( 5.011 0.000 20.841) 21.435 1.395 ( 15.479 0.000 8.940) 17.875 1.432 ( 18.031 0.000 -15.148) 23.550 1.767 ( -0.369 0.000 6.191) 6.202 1.844 ( 13.019 0.000 0.682) 13.037 2.167 ( -10.581 0.000 -2.840) 10.956 2.226 ( -0.926 0.000 -7.508) 7.565 2.285 ( 1.925 0.000 -0.606) 2.018 2.351 ( -1.048 0.000 -1.954) 2.218 2.412 ( 10.363 0.000 -10.522) 14.768 2.523 ( 4.287 0.000 -9.498) 10.421 2.643 ( -4.107 0.000 -2.019) 4.577 2.650 ( 0.855 0.000 3.248) 3.359 2.698 ( -3.194 0.000 -3.919) 5.056 2.818 ( -3.975 0.000 4.092) 5.705 2.973 ( -3.309 0.000 9.052) 9.638 3.058 ( -3.946 0.000 6.206) 7.354 3.072 ( -5.757 0.000 -1.820) 6.038 3.092 ( -7.604 0.000 7.879) 10.950 3.191 ( -2.851 0.000 -2.452) 3.760 3.199 ( -1.916 0.000 -4.777) 5.147 3.347 ( -2.974 0.000 -4.404) 5.314 3.425 ( 7.283 0.000 1.286) 7.396 3.469 ( 1.611 0.000 -5.655) 5.880 3.555 ( 4.130 0.000 4.725) 6.276 3.631 ( 2.777 0.000 2.257) 3.578 3.677 ( 8.479 0.000 -2.903) 8.962 3.702 ( -1.217 0.000 -0.590) 1.352 3.723 ( 1.726 0.000 4.258) 4.595 3.773 ( -3.726 0.000 2.010) 4.233 3.813 ( 3.789 0.000 -0.130) 3.791 3.870 ( 7.635 0.000 1.281) 7.742 3.924 ( 4.588 0.000 -4.024) 6.102 3.966 ( 1.648 0.000 0.808) 1.835 3.969 ( 0.222 0.000 1.765) 1.779 4.041 ( 1.440 0.000 -2.296) 2.710 4.102 ( -5.112 0.000 -0.468) 5.134 4.152 ( -1.162 0.000 2.330) 2.604 4.183 ( 1.011 0.000 -1.249) 1.606 4.333 ( 2.877 0.000 1.043) 3.060 4.337 ( -0.466 0.000 2.658) 2.699 4.405 ( 3.312 0.000 1.803) 3.770 4.443 ( -6.419 0.000 -6.432) 9.087 4.488 ( 6.474 0.000 -2.397) 6.903 4.532 ( -3.980 0.000 4.233) 5.810 4.551 ( 4.771 0.000 -4.910) 6.846 4.593 ( 1.286 0.000 1.223) 1.775 4.615 ( -8.908 0.000 0.288) 8.912 4.709 ( -2.266 0.000 6.202) 6.603 4.726 ( 0.133 0.000 4.097) 4.099 4.822 ( 1.865 0.000 4.519) 4.888 4.849 ( 0.799 0.000 -4.784) 4.850 4.863 ( 2.152 0.000 0.145) 2.157 4.868 ( 0.352 0.000 -3.148) 3.168 4.950 ( -1.608 0.000 3.567) 3.913 4.963 ( -6.967 0.000 1.907) 7.224 5.064 ( 0.799 0.000 -0.647) 1.028 5.160 ( -1.070 0.000 3.785) 3.933 5.179 ( -5.622 0.000 1.578) 5.839 5.187 ( -3.736 0.000 -8.928) 9.678 5.197 ( -4.903 0.000 1.146) 5.036 5.253 ( 1.601 0.000 -4.079) 4.382 5.282 ( -6.754 0.000 -4.637) 8.193 5.450 ( 3.433 0.000 0.544) 3.476 5.487 ( 2.041 0.000 0.234) 2.054 5.582 ( 3.029 0.000 -2.222) 3.757 5.597 ( 6.230 0.000 3.598) 7.194 5.698 ( -0.186 0.000 1.197) 1.211 5.713 ( -3.004 0.000 -1.042) 3.179 5.869 ( -3.973 0.000 1.528) 4.257 5.974 ( -4.431 0.000 0.011) 4.431 6.055 ( -3.456 0.000 4.301) 5.517 6.123 ( -4.668 0.000 -1.264) 4.836 6.173 ( -6.384 0.000 -4.305) 7.700 6.183 ( 0.650 0.000 -0.231) 0.690 6.349 ( 8.468 0.000 -2.044) 8.711 6.402 ( 4.652 0.000 4.976) 6.812 6.501 ( -4.405 0.000 5.888) 7.354 6.531 ( 2.371 0.000 -6.204) 6.642 6.626 ( -2.686 0.000 0.114) 2.688 6.712 ( 1.589 0.000 2.870) 3.280 6.744 ( 2.434 0.000 -3.574) 4.324 6.875 ( -2.647 0.000 -1.187) 2.901 6.878 ( -0.557 0.000 -0.584) 0.807 6.939 ( 0.674 0.000 -0.260) 0.723 6.988 ( -2.869 0.000 -1.258) 3.133 7.019 ( -4.355 0.000 -1.564) 4.628 7.101 ( -0.908 0.000 0.920) 1.292 7.137 ( 3.365 0.000 0.842) 3.469 7.326 ( 1.225 0.000 4.647) 4.806 7.368 ( 0.665 0.000 -2.383) 2.474 8.134 ( -1.037 0.000 0.312) 1.082 8.213 ( 0.042 0.000 -0.680) 0.682 8.282 ( -5.131 0.000 2.634) 5.768 8.364 ( -2.695 0.000 -0.249) 2.707 9.158 ( 0.208 0.000 0.302) 0.367 9.224 ( 1.541 0.000 -0.361) 1.583 9.253 ( -1.551 0.000 1.175) 1.946 9.277 ( 0.106 0.000 -0.663) 0.671 9.321 ( 3.905 0.000 4.818) 6.202 9.432 ( -7.172 0.000 -6.608) 9.752 9.645 ( -3.104 0.000 0.342) 3.122 9.799 ( 4.458 0.000 1.335) 4.653 9.870 ( 1.450 0.000 2.225) 2.655 10.022 ( 4.826 0.000 -0.187) 4.829 10.047 ( 6.829 0.000 -0.176) 6.831 10.420 ( 2.996 0.000 -4.927) 5.766 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 0.00 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 7.570 0.000 -3.390) 8.294 1.526 ( -3.677 0.000 1.633) 4.024 1.663 ( 16.936 0.000 0.834) 16.957 1.695 ( 9.602 0.000 4.640) 10.664 1.834 ( -5.322 0.000 6.212) 8.180 1.914 ( -3.373 0.000 -2.543) 4.224 2.026 ( 7.533 0.000 -1.961) 7.784 2.158 ( -1.044 0.000 2.136) 2.378 2.204 ( -4.573 0.000 1.823) 4.923 2.392 ( 3.000 0.000 -2.537) 3.929 2.413 ( -2.642 0.000 -6.890) 7.379 2.501 ( 3.265 0.000 -1.724) 3.692 2.553 ( 0.424 0.000 -12.087) 12.094 2.610 ( -4.245 0.000 -6.085) 7.419 2.731 ( 14.940 0.000 -7.988) 16.941 2.768 ( -3.125 0.000 1.960) 3.689 2.894 ( -5.304 0.000 -4.639) 7.046 2.943 ( -6.224 0.000 2.008) 6.540 3.076 ( -6.694 0.000 8.642) 10.931 3.091 ( -3.359 0.000 10.569) 11.090 3.160 ( 0.122 0.000 5.314) 5.315 3.214 ( 4.386 0.000 0.611) 4.429 3.331 ( 5.723 0.000 -3.720) 6.825 3.440 ( -0.734 0.000 -1.336) 1.524 3.523 ( 1.717 0.000 -0.630) 1.829 3.591 ( -0.173 0.000 -0.167) 0.241 3.649 ( -2.977 0.000 -3.067) 4.274 3.697 ( -3.354 0.000 -0.739) 3.434 3.768 ( 1.123 0.000 5.105) 5.227 3.786 ( 0.249 0.000 0.979) 1.010 3.840 ( 10.788 0.000 -2.851) 11.159 3.892 ( -1.838 0.000 -5.428) 5.730 3.908 ( 0.610 0.000 1.831) 1.930 3.948 ( 0.462 0.000 -0.936) 1.043 3.992 ( 2.408 0.000 -0.733) 2.517 4.007 ( 5.161 0.000 -1.739) 5.446 4.046 ( -1.148 0.000 0.290) 1.184 4.085 ( 3.680 0.000 -0.098) 3.681 4.157 ( -1.948 0.000 2.211) 2.947 4.166 ( -2.070 0.000 -0.643) 2.167 4.289 ( 2.173 0.000 1.753) 2.792 4.340 ( -4.442 0.000 1.872) 4.820 4.373 ( -3.352 0.000 3.094) 4.562 4.437 ( -7.231 0.000 -0.257) 7.235 4.470 ( -1.435 0.000 3.142) 3.454 4.530 ( 1.656 0.000 -5.117) 5.378 4.531 ( 2.057 0.000 -0.875) 2.236 4.608 ( 7.212 0.000 0.283) 7.217 4.664 ( 1.280 0.000 -4.307) 4.493 4.700 ( -3.582 0.000 2.194) 4.201 4.757 ( -2.104 0.000 1.831) 2.789 4.823 ( 2.624 0.000 -4.797) 5.467 4.849 ( -4.008 0.000 4.655) 6.143 4.866 ( -1.105 0.000 -0.466) 1.199 4.902 ( 3.752 0.000 2.716) 4.631 4.941 ( -3.807 0.000 3.130) 4.929 4.948 ( -0.355 0.000 8.822) 8.829 4.973 ( -1.140 0.000 -2.548) 2.791 5.052 ( -4.815 0.000 -0.199) 4.819 5.078 ( 0.803 0.000 -1.094) 1.357 5.146 ( -1.149 0.000 -0.624) 1.307 5.177 ( -0.177 0.000 0.063) 0.188 5.195 ( -1.273 0.000 3.372) 3.604 5.276 ( 0.969 0.000 -1.569) 1.844 5.516 ( 1.312 0.000 1.187) 1.769 5.523 ( 0.973 0.000 0.697) 1.197 5.626 ( 0.332 0.000 2.602) 2.623 5.657 ( -0.327 0.000 0.101) 0.342 5.682 ( 5.987 0.000 -8.997) 10.807 5.797 ( 1.484 0.000 3.926) 4.197 5.813 ( -5.232 0.000 3.190) 6.128 5.870 ( -5.947 0.000 -3.377) 6.839 5.996 ( -1.561 0.000 -5.000) 5.238 6.048 ( -3.180 0.000 4.747) 5.714 6.092 ( 0.978 0.000 2.294) 2.494 6.154 ( 1.354 0.000 -5.830) 5.985 6.456 ( -3.436 0.000 3.452) 4.871 6.504 ( 4.860 0.000 1.403) 5.059 6.543 ( -3.616 0.000 2.130) 4.197 6.550 ( 7.999 0.000 -4.924) 9.393 6.576 ( 1.609 0.000 3.118) 3.509 6.713 ( -0.184 0.000 -5.082) 5.085 6.741 ( -2.731 0.000 -0.618) 2.801 6.809 ( -2.549 0.000 -3.699) 4.492 6.871 ( 3.717 0.000 1.392) 3.969 6.908 ( -1.724 0.000 0.623) 1.833 6.916 ( -4.232 0.000 1.013) 4.352 6.981 ( 1.345 0.000 -0.315) 1.382 7.110 ( -0.996 0.000 -0.491) 1.110 7.170 ( 0.642 0.000 -2.452) 2.534 7.369 ( -1.288 0.000 3.588) 3.812 7.373 ( 1.716 0.000 0.571) 1.808 8.126 ( 0.154 0.000 -0.068) 0.168 8.203 ( 0.191 0.000 -1.730) 1.741 8.230 ( -3.585 0.000 2.477) 4.358 8.317 ( -1.115 0.000 -1.350) 1.751 9.170 ( 0.498 0.000 0.547) 0.740 9.236 ( 0.366 0.000 -1.556) 1.599 9.238 ( -1.670 0.000 1.372) 2.162 9.275 ( 0.624 0.000 -0.352) 0.716 9.338 ( 1.651 0.000 -0.608) 1.760 9.419 ( -0.137 0.000 2.932) 2.935 9.591 ( -1.171 0.000 0.198) 1.187 9.817 ( 0.622 0.000 -4.957) 4.996 9.896 ( -0.042 0.000 1.391) 1.392 10.072 ( 2.014 0.000 -2.786) 3.438 10.188 ( 1.754 0.000 7.497) 7.699 10.422 ( 2.391 0.000 -2.615) 3.543 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -19.973 0.000 -1.706) 20.046 1.408 ( -6.163 0.000 0.639) 6.196 1.667 ( -8.942 0.000 -0.787) 8.977 1.768 ( -8.615 0.000 7.932) 11.711 1.899 ( 2.185 0.000 -5.422) 5.845 1.973 ( 4.521 0.000 7.809) 9.023 2.100 ( 2.611 0.000 4.138) 4.893 2.204 ( 2.997 0.000 0.319) 3.014 2.295 ( 6.166 0.000 1.815) 6.427 2.328 ( 2.673 0.000 -11.357) 11.667 2.370 ( 2.905 0.000 -9.788) 10.210 2.435 ( 1.788 0.000 -7.422) 7.634 2.471 ( -5.037 0.000 1.663) 5.305 2.548 ( 3.914 0.000 -0.045) 3.914 2.674 ( -18.063 0.000 -8.157) 19.820 2.797 ( 4.629 0.000 -0.260) 4.636 2.833 ( 2.226 0.000 -1.797) 2.860 2.907 ( 7.462 0.000 -0.458) 7.476 3.047 ( -6.140 0.000 7.038) 9.340 3.157 ( 1.252 0.000 3.106) 3.349 3.294 ( 0.574 0.000 3.442) 3.489 3.324 ( 4.618 0.000 7.487) 8.797 3.422 ( -0.852 0.000 1.654) 1.861 3.444 ( -4.751 0.000 -6.779) 8.278 3.448 ( 8.404 0.000 0.670) 8.430 3.553 ( -0.802 0.000 -4.842) 4.908 3.588 ( -2.775 0.000 1.141) 3.000 3.616 ( -1.523 0.000 -2.408) 2.850 3.723 ( -2.476 0.000 2.265) 3.356 3.756 ( -1.784 0.000 -2.238) 2.862 3.843 ( 1.415 0.000 -1.607) 2.141 3.931 ( -1.554 0.000 1.580) 2.216 3.932 ( -2.018 0.000 -0.505) 2.081 3.945 ( -0.163 0.000 0.728) 0.746 4.022 ( 4.654 0.000 -8.474) 9.668 4.041 ( -0.972 0.000 -0.228) 0.998 4.049 ( 6.176 0.000 -2.027) 6.500 4.108 ( 1.541 0.000 -2.147) 2.643 4.145 ( -2.680 0.000 5.351) 5.985 4.156 ( -2.485 0.000 4.294) 4.961 4.244 ( -7.712 0.000 3.902) 8.643 4.337 ( -2.551 0.000 1.416) 2.918 4.395 ( 2.369 0.000 -3.128) 3.923 4.416 ( -4.913 0.000 1.160) 5.048 4.458 ( 8.401 0.000 2.289) 8.707 4.519 ( 2.245 0.000 -0.126) 2.248 4.561 ( -3.489 0.000 -3.068) 4.646 4.580 ( 2.447 0.000 -1.256) 2.751 4.613 ( -4.645 0.000 0.149) 4.648 4.720 ( 2.786 0.000 1.500) 3.164 4.728 ( -2.529 0.000 -1.077) 2.749 4.819 ( -9.139 0.000 8.380) 12.400 4.860 ( 5.310 0.000 -0.961) 5.397 4.876 ( 1.712 0.000 5.693) 5.945 4.882 ( -2.014 0.000 0.629) 2.110 4.929 ( -0.514 0.000 -1.416) 1.506 4.977 ( -1.633 0.000 0.779) 1.810 5.057 ( 2.484 0.000 -0.163) 2.490 5.086 ( 2.838 0.000 0.301) 2.854 5.105 ( -2.337 0.000 -2.920) 3.740 5.115 ( 4.325 0.000 -3.569) 5.608 5.208 ( -2.552 0.000 2.989) 3.930 5.283 ( 3.201 0.000 0.974) 3.346 5.337 ( 12.815 0.000 9.392) 15.888 5.521 ( -1.409 0.000 -0.152) 1.417 5.525 ( -1.864 0.000 1.396) 2.329 5.590 ( -6.364 0.000 -7.077) 9.518 5.647 ( 2.556 0.000 -4.394) 5.083 5.650 ( 0.094 0.000 -1.008) 1.012 5.681 ( 1.616 0.000 -3.691) 4.029 5.805 ( 0.610 0.000 4.519) 4.560 5.932 ( 5.535 0.000 3.308) 6.448 6.038 ( -3.379 0.000 3.616) 4.949 6.043 ( 5.576 0.000 -0.199) 5.579 6.123 ( 3.717 0.000 -8.522) 9.297 6.160 ( 3.695 0.000 0.827) 3.786 6.372 ( -9.833 0.000 2.852) 10.238 6.478 ( -6.306 0.000 3.316) 7.125 6.488 ( -4.370 0.000 0.706) 4.426 6.610 ( -1.690 0.000 -1.952) 2.582 6.656 ( -0.148 0.000 -3.484) 3.487 6.678 ( 5.258 0.000 -2.395) 5.777 6.679 ( -0.040 0.000 1.163) 1.164 6.788 ( 4.974 0.000 -3.594) 6.137 6.881 ( -0.981 0.000 1.246) 1.586 6.914 ( -0.296 0.000 0.255) 0.390 6.988 ( -0.021 0.000 -1.700) 1.700 6.988 ( 5.163 0.000 2.646) 5.802 7.080 ( 0.482 0.000 0.578) 0.753 7.117 ( -2.018 0.000 -3.460) 4.005 7.357 ( -3.585 0.000 2.019) 4.114 7.429 ( 2.263 0.000 1.650) 2.801 8.136 ( 0.734 0.000 0.012) 0.734 8.184 ( 0.489 0.000 -2.150) 2.205 8.218 ( -0.925 0.000 2.897) 3.041 8.307 ( 1.720 0.000 -1.455) 2.253 9.181 ( -0.411 0.000 0.910) 0.998 9.216 ( -0.326 0.000 -1.556) 1.590 9.228 ( -0.879 0.000 1.102) 1.409 9.285 ( 0.827 0.000 -0.469) 0.951 9.352 ( -6.230 0.000 -0.518) 6.251 9.442 ( 7.092 0.000 2.929) 7.673 9.636 ( 2.032 0.000 2.791) 3.453 9.719 ( -3.803 0.000 -6.699) 7.704 9.917 ( -0.814 0.000 3.232) 3.333 10.030 ( -1.941 0.000 -4.177) 4.606 10.249 ( -2.947 0.000 6.263) 6.921 10.450 ( 3.548 0.000 -2.665) 4.437 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -22.209 0.000 8.599) 23.815 1.080 ( -27.080 0.000 0.773) 27.092 1.549 ( -5.736 0.000 9.593) 11.177 1.665 ( -33.653 0.000 -2.674) 33.759 1.853 ( -6.479 0.000 -15.485) 16.786 1.928 ( 8.720 0.000 9.814) 13.128 2.115 ( 1.673 0.000 -12.935) 13.043 2.125 ( -4.376 0.000 15.618) 16.220 2.282 ( 2.383 0.000 -8.933) 9.245 2.338 ( 4.439 0.000 -4.442) 6.280 2.378 ( 0.357 0.000 -0.275) 0.451 2.438 ( 3.765 0.000 -4.263) 5.687 2.472 ( 0.401 0.000 -3.926) 3.947 2.540 ( 8.380 0.000 4.072) 9.317 2.617 ( 5.502 0.000 -3.449) 6.493 2.901 ( 5.694 0.000 -0.737) 5.742 2.925 ( 7.434 0.000 0.516) 7.452 2.993 ( 0.112 0.000 4.897) 4.899 3.009 ( -4.884 0.000 4.326) 6.524 3.209 ( 4.574 0.000 -1.135) 4.712 3.268 ( -3.629 0.000 -1.569) 3.953 3.310 ( -4.919 0.000 -3.152) 5.843 3.328 ( -1.594 0.000 -0.473) 1.662 3.443 ( -0.646 0.000 3.220) 3.284 3.502 ( -8.042 0.000 3.393) 8.728 3.537 ( 2.979 0.000 -4.496) 5.393 3.593 ( 5.230 0.000 0.278) 5.238 3.639 ( -4.431 0.000 2.192) 4.943 3.718 ( 2.913 0.000 -0.830) 3.029 3.778 ( 3.506 0.000 1.499) 3.813 3.845 ( -5.722 0.000 0.054) 5.722 3.847 ( 1.511 0.000 -2.615) 3.020 3.882 ( -3.641 0.000 1.650) 3.997 3.910 ( -4.567 0.000 3.274) 5.619 3.967 ( -1.551 0.000 -3.491) 3.820 4.044 ( -2.502 0.000 -0.483) 2.549 4.070 ( 3.469 0.000 -3.083) 4.641 4.092 ( -0.076 0.000 -1.553) 1.554 4.195 ( -3.091 0.000 2.786) 4.162 4.223 ( 6.510 0.000 0.950) 6.579 4.250 ( 4.875 0.000 3.904) 6.246 4.319 ( -2.264 0.000 2.038) 3.046 4.328 ( -3.509 0.000 -0.160) 3.512 4.413 ( -0.613 0.000 -0.617) 0.869 4.460 ( -3.920 0.000 0.811) 4.003 4.490 ( 0.342 0.000 0.343) 0.484 4.546 ( -1.984 0.000 -5.708) 6.043 4.619 ( 0.743 0.000 -1.048) 1.285 4.648 ( -11.232 0.000 5.606) 12.553 4.706 ( 8.553 0.000 1.295) 8.650 4.754 ( -0.135 0.000 3.777) 3.780 4.758 ( 0.276 0.000 4.601) 4.610 4.887 ( 0.966 0.000 -1.221) 1.557 4.899 ( 3.088 0.000 -6.253) 6.974 4.914 ( -5.225 0.000 -0.527) 5.252 4.945 ( 1.852 0.000 1.196) 2.204 4.968 ( 1.035 0.000 2.545) 2.748 5.003 ( -4.164 0.000 -1.390) 4.390 5.068 ( 0.918 0.000 1.211) 1.519 5.096 ( 1.747 0.000 -2.405) 2.973 5.189 ( 6.612 0.000 -1.438) 6.766 5.226 ( 5.635 0.000 0.923) 5.710 5.308 ( 0.691 0.000 -1.630) 1.771 5.462 ( -2.607 0.000 -0.400) 2.638 5.481 ( -0.242 0.000 -0.265) 0.359 5.567 ( 4.604 0.000 -11.984) 12.838 5.580 ( 3.452 0.000 0.430) 3.478 5.663 ( 1.614 0.000 0.473) 1.682 5.694 ( 0.899 0.000 1.436) 1.695 5.751 ( 5.058 0.000 8.256) 9.682 5.903 ( 5.876 0.000 5.473) 8.031 5.989 ( 1.366 0.000 -5.889) 6.045 6.067 ( 4.057 0.000 3.121) 5.119 6.107 ( 3.647 0.000 -4.852) 6.069 6.115 ( -0.809 0.000 3.254) 3.353 6.201 ( -9.111 0.000 -0.775) 9.144 6.246 ( 5.707 0.000 -1.131) 5.818 6.387 ( -6.198 0.000 2.417) 6.652 6.425 ( -4.124 0.000 3.693) 5.536 6.569 ( -0.834 0.000 0.707) 1.093 6.618 ( 0.712 0.000 -4.857) 4.909 6.692 ( 1.357 0.000 -2.091) 2.492 6.731 ( 1.302 0.000 3.691) 3.915 6.793 ( -4.852 0.000 -1.612) 5.112 6.891 ( 3.822 0.000 -2.600) 4.622 6.898 ( 0.726 0.000 1.729) 1.876 6.995 ( 0.522 0.000 -0.268) 0.586 7.019 ( -1.318 0.000 -4.000) 4.212 7.103 ( 1.789 0.000 2.310) 2.922 7.139 ( 3.278 0.000 0.271) 3.290 7.297 ( -4.648 0.000 2.006) 5.063 7.467 ( 0.699 0.000 0.177) 0.721 8.148 ( 0.210 0.000 0.680) 0.712 8.185 ( 1.886 0.000 -1.588) 2.466 8.258 ( 0.950 0.000 4.003) 4.114 8.341 ( 3.387 0.000 -0.923) 3.510 9.174 ( -1.551 0.000 1.413) 2.098 9.196 ( -0.106 0.000 -1.329) 1.333 9.212 ( -3.147 0.000 1.111) 3.337 9.273 ( -0.994 0.000 1.021) 1.425 9.289 ( -0.032 0.000 -0.389) 0.391 9.549 ( -2.453 0.000 -6.428) 6.880 9.631 ( 6.187 0.000 2.371) 6.626 9.679 ( -0.904 0.000 2.687) 2.835 9.925 ( -2.452 0.000 3.185) 4.020 9.935 ( -3.401 0.000 -3.179) 4.656 10.239 ( -4.739 0.000 5.125) 6.980 10.459 ( 2.963 0.000 -8.733) 9.222 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -28.898 0.000 4.557) 29.255 0.611 ( -28.700 0.000 10.420) 30.533 0.948 ( -41.300 0.000 22.435) 47.000 1.624 ( -3.171 0.000 6.546) 7.274 1.666 ( -0.180 0.000 -12.660) 12.661 1.909 ( 3.322 0.000 -12.396) 12.834 2.078 ( -5.868 0.000 -15.882) 16.931 2.284 ( 12.410 0.000 3.405) 12.869 2.288 ( 0.893 0.000 10.963) 10.999 2.360 ( 2.351 0.000 -2.942) 3.766 2.394 ( -4.110 0.000 6.701) 7.861 2.443 ( 2.428 0.000 -9.304) 9.615 2.513 ( 9.696 0.000 3.200) 10.210 2.668 ( 4.828 0.000 -0.247) 4.835 2.739 ( 9.069 0.000 2.125) 9.315 2.899 ( -9.831 0.000 5.070) 11.061 2.975 ( 4.152 0.000 -1.060) 4.285 3.054 ( 3.072 0.000 1.197) 3.297 3.074 ( 2.062 0.000 6.691) 7.001 3.161 ( -8.054 0.000 -1.463) 8.186 3.199 ( -5.435 0.000 4.903) 7.319 3.280 ( -0.150 0.000 -2.239) 2.244 3.336 ( 3.505 0.000 -1.203) 3.705 3.450 ( -3.207 0.000 3.311) 4.609 3.456 ( -6.147 0.000 -2.987) 6.834 3.477 ( 0.734 0.000 1.448) 1.623 3.547 ( 3.800 0.000 -3.689) 5.296 3.643 ( 2.348 0.000 -3.510) 4.223 3.743 ( -7.666 0.000 -2.190) 7.973 3.762 ( -3.449 0.000 1.158) 3.638 3.767 ( 3.177 0.000 -1.563) 3.541 3.870 ( 2.680 0.000 -1.474) 3.058 3.908 ( 4.887 0.000 0.969) 4.982 3.918 ( -2.524 0.000 2.364) 3.459 3.971 ( 3.078 0.000 0.427) 3.107 3.998 ( -0.262 0.000 -3.372) 3.382 4.051 ( -1.821 0.000 -1.080) 2.117 4.051 ( 0.652 0.000 -4.535) 4.581 4.177 ( -2.619 0.000 0.689) 2.708 4.248 ( -5.630 0.000 -0.754) 5.680 4.248 ( -5.680 0.000 -0.732) 5.727 4.307 ( -0.450 0.000 -1.722) 1.780 4.347 ( -1.702 0.000 2.754) 3.237 4.376 ( 2.015 0.000 4.521) 4.949 4.400 ( 3.744 0.000 -4.415) 5.789 4.437 ( -2.333 0.000 1.804) 2.949 4.594 ( -2.111 0.000 0.197) 2.120 4.598 ( -5.948 0.000 8.995) 10.784 4.599 ( 2.383 0.000 6.438) 6.865 4.755 ( -2.360 0.000 -8.756) 9.068 4.767 ( -1.560 0.000 2.325) 2.800 4.834 ( -2.358 0.000 -1.662) 2.884 4.835 ( 5.655 0.000 -1.941) 5.979 4.860 ( 0.801 0.000 -1.333) 1.555 4.931 ( -0.702 0.000 -2.097) 2.211 4.967 ( 8.011 0.000 -0.318) 8.017 4.971 ( -1.885 0.000 1.354) 2.321 4.983 ( -0.064 0.000 2.429) 2.430 5.106 ( 0.552 0.000 -3.183) 3.231 5.114 ( 0.011 0.000 3.267) 3.267 5.252 ( -3.128 0.000 -0.346) 3.147 5.300 ( 3.688 0.000 -0.613) 3.739 5.387 ( 5.935 0.000 0.315) 5.943 5.431 ( 2.353 0.000 -2.343) 3.321 5.496 ( -1.316 0.000 -5.992) 6.135 5.521 ( 5.237 0.000 -1.200) 5.372 5.624 ( -5.533 0.000 -8.089) 9.800 5.651 ( 5.937 0.000 -0.873) 6.000 5.718 ( 2.585 0.000 2.632) 3.689 5.736 ( 2.123 0.000 -0.575) 2.200 5.978 ( -11.039 0.000 2.660) 11.355 6.042 ( -3.760 0.000 -6.703) 7.686 6.070 ( 5.094 0.000 2.213) 5.554 6.130 ( 1.547 0.000 0.231) 1.564 6.158 ( 5.895 0.000 2.994) 6.612 6.201 ( 3.237 0.000 4.112) 5.233 6.297 ( 1.814 0.000 -1.767) 2.532 6.332 ( -2.321 0.000 2.305) 3.271 6.425 ( -2.131 0.000 2.767) 3.493 6.580 ( -0.803 0.000 2.851) 2.962 6.581 ( 2.705 0.000 -3.899) 4.745 6.715 ( 0.862 0.000 0.914) 1.256 6.732 ( 1.747 0.000 -1.647) 2.401 6.795 ( 0.469 0.000 5.113) 5.135 6.895 ( -2.819 0.000 -0.204) 2.827 6.910 ( -1.512 0.000 1.215) 1.940 6.983 ( 0.789 0.000 -2.901) 3.006 7.032 ( 4.621 0.000 4.810) 6.670 7.131 ( 0.127 0.000 -0.280) 0.308 7.148 ( -1.110 0.000 -1.144) 1.594 7.277 ( -0.976 0.000 2.840) 3.003 7.458 ( -0.154 0.000 -3.519) 3.523 8.163 ( -0.044 0.000 1.771) 1.772 8.207 ( 2.005 0.000 -1.255) 2.366 8.353 ( 4.038 0.000 7.311) 8.352 8.396 ( 3.027 0.000 -0.290) 3.041 9.164 ( -1.445 0.000 0.990) 1.752 9.187 ( 0.670 0.000 -1.102) 1.290 9.241 ( 3.306 0.000 8.668) 9.277 9.268 ( -1.683 0.000 -0.267) 1.704 9.318 ( 4.611 0.000 8.262) 9.462 9.444 ( -0.651 0.000 -4.342) 4.391 9.670 ( -2.642 0.000 2.647) 3.740 9.765 ( 6.297 0.000 -1.607) 6.499 9.865 ( -1.765 0.000 -0.353) 1.799 9.906 ( -2.511 0.000 2.256) 3.376 10.193 ( -6.346 0.000 3.863) 7.429 10.221 ( -13.904 0.000 -31.111) 34.077 ======================= Grid point 56 (24/60) ======================= q-point: ( 0.00 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -3.670 16.602 14.421) 22.295 0.783 ( 8.844 21.410 15.751) 28.013 1.227 ( -5.885 24.678 26.036) 36.352 1.384 ( -6.313 2.916 -13.807) 15.459 1.535 ( 1.629 3.934 -13.497) 14.153 1.929 ( 1.707 0.222 -0.655) 1.842 2.112 ( 2.331 7.869 -1.349) 8.317 2.222 ( -2.052 -4.318 -6.342) 7.943 2.298 ( 2.884 -2.360 -9.528) 10.231 2.343 ( 4.422 -0.941 -5.511) 7.128 2.511 ( -0.390 0.733 5.132) 5.198 2.577 ( 3.762 5.309 6.316) 9.068 2.682 ( 2.216 -0.519 -4.126) 4.712 2.724 ( -5.734 -4.596 9.563) 12.060 2.794 ( 1.576 -2.383 -0.236) 2.867 2.867 ( 6.626 -6.656 4.556) 10.438 2.914 ( -1.422 -3.072 -2.719) 4.342 2.982 ( -6.528 -0.673 -1.096) 6.654 3.009 ( -5.792 -3.220 3.669) 7.575 3.119 ( -1.246 -0.876 0.493) 1.601 3.230 ( 1.668 1.544 1.259) 2.598 3.265 ( 3.030 -1.549 2.220) 4.063 3.298 ( -0.855 -1.299 -5.595) 5.807 3.368 ( 2.255 -5.072 0.966) 5.634 3.422 ( -5.241 -1.832 -2.593) 6.128 3.472 ( -0.320 -2.127 -0.165) 2.157 3.517 ( 3.151 -5.568 3.781) 7.431 3.586 ( -1.645 -1.244 -0.690) 2.175 3.617 ( 0.266 -2.067 -5.779) 6.143 3.703 ( -0.634 -6.799 -2.844) 7.397 3.750 ( 5.120 -4.107 0.220) 6.568 3.812 ( -1.112 -0.223 0.398) 1.202 3.844 ( 0.382 -3.727 1.004) 3.879 3.914 ( 1.089 -2.446 -0.367) 2.702 3.938 ( -1.590 -4.027 -1.291) 4.518 4.008 ( -3.372 2.254 -2.731) 4.889 4.041 ( 0.566 0.150 -0.669) 0.889 4.104 ( 1.511 1.588 4.429) 4.942 4.143 ( -1.549 -3.546 -2.248) 4.475 4.170 ( 3.158 -1.329 1.344) 3.680 4.233 ( 3.845 -2.726 0.991) 4.816 4.272 ( 1.293 1.247 -0.239) 1.812 4.362 ( -2.370 -0.512 -1.813) 3.027 4.384 ( -4.080 0.328 0.283) 4.103 4.410 ( -1.734 -2.374 -3.930) 4.907 4.424 ( 1.414 -2.701 2.418) 3.891 4.548 ( 0.909 1.203 3.078) 3.427 4.594 ( -3.223 0.317 10.025) 10.535 4.626 ( 1.190 -0.698 2.112) 2.523 4.686 ( -0.052 0.380 1.850) 1.890 4.783 ( 0.356 0.103 -2.034) 2.068 4.813 ( -0.731 -2.610 1.190) 2.960 4.821 ( 0.471 -2.083 2.475) 3.270 4.900 ( -2.771 1.804 -0.318) 3.322 4.918 ( 1.907 0.736 -2.607) 3.313 4.943 ( 1.022 2.394 0.931) 2.764 5.019 ( -0.114 3.021 -4.213) 5.186 5.044 ( 0.427 2.316 -1.585) 2.838 5.103 ( 3.162 -0.059 -3.079) 4.414 5.224 ( -0.183 2.600 0.391) 2.635 5.225 ( -3.123 2.371 -1.307) 4.133 5.304 ( 0.614 3.082 -1.105) 3.331 5.354 ( -0.056 0.683 -0.873) 1.110 5.416 ( 0.274 -1.043 1.132) 1.563 5.454 ( 0.560 0.623 -2.530) 2.666 5.515 ( 1.306 -0.223 -3.151) 3.418 5.637 ( 2.921 -3.883 -1.325) 5.037 5.661 ( -1.118 -4.908 -2.131) 5.466 5.803 ( 4.121 2.678 0.756) 4.973 5.816 ( -4.654 -0.347 1.440) 4.884 5.901 ( -5.609 5.573 -0.981) 7.967 5.907 ( 4.102 -2.637 -1.503) 5.103 6.137 ( 3.501 -0.079 -0.235) 3.510 6.159 ( -4.288 1.157 0.626) 4.485 6.254 ( -0.892 6.102 -1.061) 6.258 6.278 ( 0.483 0.202 1.923) 1.993 6.322 ( -0.725 2.213 -0.573) 2.398 6.391 ( -0.190 2.353 0.725) 2.470 6.463 ( -0.134 1.635 4.830) 5.101 6.595 ( -2.357 0.896 3.204) 4.077 6.667 ( 2.769 1.435 -1.371) 3.407 6.684 ( 2.804 -0.407 -0.574) 2.891 6.811 ( -3.685 1.413 1.164) 4.115 6.844 ( 2.467 1.088 -0.117) 2.699 6.872 ( 1.283 0.113 1.545) 2.011 6.934 ( 0.707 3.420 -0.904) 3.607 6.978 ( 0.947 -1.380 2.195) 2.760 7.041 ( -1.221 -1.643 0.192) 2.056 7.118 ( -2.255 -0.696 -1.525) 2.810 7.136 ( -0.729 1.513 -2.611) 3.105 7.232 ( 2.971 -0.469 4.431) 5.356 7.427 ( -3.447 0.388 -5.588) 6.577 8.074 ( -0.960 -6.405 0.641) 6.508 8.111 ( 0.900 -5.703 -0.729) 5.820 8.508 ( 0.530 9.361 2.682) 9.752 8.644 ( -2.049 9.515 -5.939) 11.402 9.147 ( -0.499 -0.553 0.786) 1.083 9.173 ( 0.726 -1.830 0.784) 2.119 9.229 ( -0.914 -0.570 2.613) 2.827 9.292 ( -0.002 0.486 -1.046) 1.153 9.398 ( -16.117 2.201 -2.318) 16.431 9.444 ( 2.192 0.718 -2.511) 3.410 9.623 ( -1.272 -3.484 2.773) 4.631 9.750 ( 7.403 -5.486 -2.615) 9.577 9.828 ( 2.460 -2.512 4.521) 5.727 9.877 ( 4.456 0.520 0.904) 4.577 9.973 ( 11.018 -4.741 5.245) 13.092 10.066 ( -5.818 -2.238 -0.754) 6.279 ======================= Grid point 57 (25/60) ======================= q-point: ( 0.14 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 9.628 5.000 13.732) 17.500 1.115 ( 8.865 10.333 5.170) 14.563 1.227 ( 6.099 14.256 3.262) 15.845 1.378 ( 11.662 2.972 -18.261) 21.870 1.637 ( 9.263 15.526 13.765) 22.723 1.920 ( -6.559 5.688 -6.522) 10.859 2.102 ( 8.245 -0.030 8.664) 11.960 2.197 ( 2.240 -1.848 -5.022) 5.801 2.309 ( 5.759 -3.168 -4.783) 8.129 2.395 ( 7.916 2.595 -9.970) 12.992 2.475 ( -4.348 2.431 -0.780) 5.042 2.583 ( -3.714 3.943 0.663) 5.457 2.672 ( -6.375 2.002 3.763) 7.669 2.698 ( -2.929 -2.563 -0.200) 3.898 2.781 ( -4.563 -6.021 0.557) 7.576 2.815 ( -2.466 -3.546 3.365) 5.475 2.914 ( -0.491 -0.730 1.517) 1.754 3.033 ( 1.645 -1.109 4.093) 4.548 3.057 ( 1.876 -5.204 2.789) 6.195 3.103 ( 2.309 -2.054 -2.234) 3.813 3.195 ( -4.374 -1.333 -1.071) 4.696 3.269 ( 0.787 -5.489 -0.219) 5.549 3.334 ( 1.482 1.138 1.976) 2.719 3.375 ( 2.975 -2.570 1.741) 4.300 3.411 ( -3.689 -0.735 -2.251) 4.384 3.467 ( -1.356 -6.240 -0.311) 6.393 3.535 ( 1.995 -8.354 -1.253) 8.680 3.546 ( 2.043 -2.129 0.666) 3.025 3.601 ( 2.348 -5.174 -3.746) 6.806 3.654 ( -0.315 -0.854 -2.266) 2.442 3.749 ( -3.387 -1.140 -2.562) 4.397 3.847 ( 0.801 -2.006 5.393) 5.809 3.869 ( -0.873 1.065 1.398) 1.962 3.911 ( -0.690 -1.472 -0.429) 1.682 3.916 ( 2.706 -3.265 -0.031) 4.240 3.965 ( -0.391 1.928 -0.582) 2.052 4.018 ( 1.092 1.797 -5.174) 5.585 4.105 ( -0.935 -3.070 -2.389) 4.001 4.154 ( -3.508 -3.344 4.614) 6.692 4.241 ( 2.946 1.952 -2.281) 4.206 4.271 ( -2.266 -5.346 -3.054) 6.561 4.296 ( 2.734 -3.191 -2.124) 4.709 4.330 ( 3.131 0.484 0.947) 3.307 4.359 ( 3.456 1.200 2.111) 4.224 4.399 ( 5.344 1.384 0.870) 5.589 4.519 ( 2.790 -3.591 3.673) 5.845 4.580 ( -1.095 1.238 1.020) 1.942 4.607 ( 0.220 0.507 3.806) 3.846 4.676 ( -0.818 -2.624 1.235) 3.014 4.743 ( -3.364 -0.456 -2.095) 3.989 4.751 ( 0.913 -1.558 1.760) 2.521 4.774 ( -2.253 1.124 2.531) 3.569 4.800 ( -5.844 1.926 0.308) 6.161 4.821 ( -1.234 -4.631 -1.480) 5.017 4.943 ( 2.408 0.969 -2.984) 3.955 4.957 ( -0.970 0.943 -1.508) 2.026 4.995 ( 0.221 3.641 -1.816) 4.074 5.072 ( 4.901 0.373 5.637) 7.479 5.121 ( 0.544 2.818 -0.014) 2.870 5.200 ( 4.923 1.998 -6.237) 8.193 5.211 ( -1.166 -0.053 -0.039) 1.168 5.326 ( -5.842 1.127 2.369) 6.404 5.340 ( -2.384 1.802 -1.177) 3.211 5.389 ( 1.097 1.476 0.723) 1.976 5.444 ( 0.753 2.295 -1.734) 2.974 5.510 ( 1.864 3.369 -2.151) 4.410 5.555 ( -4.120 -1.953 -3.639) 5.834 5.634 ( 0.105 -6.876 -1.661) 7.075 5.711 ( -5.315 3.055 -1.745) 6.374 5.823 ( -3.288 2.266 0.130) 3.996 5.867 ( -0.737 -1.065 1.477) 1.964 5.992 ( 0.806 -2.242 0.141) 2.387 6.127 ( 2.992 3.857 0.098) 4.883 6.152 ( -3.399 0.841 0.719) 3.575 6.163 ( -3.857 0.943 0.296) 3.982 6.281 ( -2.574 0.757 1.329) 2.994 6.331 ( 0.289 1.670 1.206) 2.080 6.380 ( -0.255 4.016 -1.304) 4.230 6.502 ( -2.668 0.516 8.138) 8.579 6.591 ( -0.073 -0.031 1.806) 1.808 6.635 ( -1.699 1.616 -6.637) 7.039 6.721 ( 1.921 2.093 -0.644) 2.913 6.801 ( -0.624 2.173 0.501) 2.315 6.846 ( -1.796 1.822 1.159) 2.808 6.882 ( 1.272 -1.812 1.192) 2.514 6.957 ( -0.883 1.174 0.447) 1.535 7.005 ( 3.447 -0.779 -1.880) 4.003 7.032 ( -2.303 0.089 1.247) 2.620 7.093 ( -1.434 0.037 -1.619) 2.163 7.162 ( 6.462 -0.092 1.158) 6.566 7.250 ( -4.939 0.605 0.855) 5.049 7.372 ( 2.429 -0.567 -0.962) 2.673 8.057 ( -1.385 -6.180 0.393) 6.346 8.111 ( -0.151 -5.792 -0.279) 5.801 8.507 ( -5.366 10.191 0.885) 11.551 8.531 ( -2.998 8.648 0.455) 9.165 9.150 ( 0.049 -0.409 0.270) 0.493 9.183 ( 0.516 -1.054 0.492) 1.273 9.255 ( -0.997 1.497 3.475) 3.913 9.264 ( -1.004 -0.585 0.508) 1.268 9.274 ( -0.110 -0.072 -0.075) 0.151 9.559 ( 7.816 -1.693 2.739) 8.453 9.599 ( -4.541 -3.683 -1.355) 6.002 9.719 ( -2.896 -0.914 -1.513) 3.393 9.836 ( 0.804 0.000 -0.635) 1.024 9.939 ( 3.214 -0.035 1.564) 3.575 9.987 ( 1.971 -1.795 -5.519) 6.129 10.274 ( 11.198 -9.163 -1.999) 14.606 ======================= Grid point 58 (26/60) ======================= q-point: ( 0.29 0.14 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 16.369 4.566 1.605) 17.070 1.378 ( 14.599 4.848 1.125) 15.424 1.441 ( 15.995 4.260 -10.280) 19.485 1.521 ( 6.485 11.165 16.058) 20.606 1.781 ( 0.471 1.802 3.226) 3.725 1.938 ( 7.017 6.934 2.085) 10.083 2.105 ( -7.112 -3.337 -4.729) 9.169 2.235 ( 0.885 -1.163 -1.012) 1.777 2.341 ( -4.616 3.931 -2.917) 6.728 2.384 ( 2.271 4.093 -1.285) 4.854 2.439 ( 8.659 0.278 -10.472) 13.591 2.545 ( -3.013 0.379 -5.435) 6.226 2.601 ( -4.496 -2.625 0.866) 5.278 2.663 ( 2.418 0.730 -2.321) 3.430 2.710 ( 1.415 2.214 2.665) 3.743 2.806 ( -0.023 0.457 0.540) 0.708 2.991 ( -3.349 1.466 6.872) 7.784 3.026 ( -1.684 -2.164 -0.352) 2.764 3.093 ( -6.259 1.483 5.050) 8.178 3.103 ( -0.804 0.135 1.151) 1.411 3.118 ( -0.898 -5.145 -0.902) 5.300 3.224 ( -5.503 -0.783 -1.240) 5.695 3.320 ( -2.194 -4.668 -4.966) 7.160 3.346 ( 3.588 -1.618 1.884) 4.364 3.435 ( 1.587 -4.342 -2.700) 5.353 3.492 ( 3.615 -6.424 2.118) 7.670 3.538 ( 3.636 -10.361 -0.713) 11.003 3.581 ( 0.729 -4.683 -3.257) 5.751 3.624 ( 1.955 -3.840 2.858) 5.171 3.697 ( 2.951 -3.002 1.752) 4.559 3.801 ( 6.991 -0.085 2.018) 7.277 3.843 ( -0.139 -1.626 -0.081) 1.634 3.888 ( -0.490 1.860 2.021) 2.790 3.916 ( 0.053 -1.716 -0.755) 1.875 3.948 ( 1.014 -3.987 0.441) 4.138 3.978 ( 2.654 2.618 -4.093) 5.536 4.024 ( 1.872 3.108 2.550) 4.435 4.048 ( -2.005 -5.752 -1.042) 6.180 4.133 ( -1.566 -2.269 4.105) 4.945 4.194 ( 1.541 -2.114 -6.468) 6.977 4.270 ( 1.038 1.118 0.997) 1.823 4.353 ( 4.039 -2.103 -1.607) 4.829 4.425 ( 0.077 0.057 4.051) 4.052 4.449 ( 6.319 -0.321 -2.189) 6.695 4.478 ( -2.188 1.541 -3.719) 4.582 4.530 ( 3.572 0.048 0.733) 3.647 4.565 ( -2.053 4.035 -0.338) 4.540 4.622 ( -4.648 0.392 1.853) 5.019 4.676 ( -0.694 1.861 2.024) 2.836 4.691 ( 0.407 -1.471 6.296) 6.478 4.746 ( 3.646 -3.222 -0.779) 4.928 4.754 ( -2.625 1.728 1.459) 3.465 4.801 ( -0.030 -3.387 1.555) 3.727 4.852 ( 2.110 -0.248 3.814) 4.365 4.896 ( -3.167 -0.619 -1.537) 3.575 4.922 ( -4.926 -3.354 -2.603) 6.503 4.934 ( -1.729 -0.203 -0.085) 1.743 5.066 ( -2.981 0.629 -2.314) 3.826 5.145 ( -4.659 -0.751 -3.710) 6.003 5.178 ( -5.292 -0.528 -2.106) 5.720 5.240 ( 1.057 4.113 3.224) 5.332 5.251 ( -0.440 1.777 0.684) 1.954 5.282 ( 0.213 3.637 -0.608) 3.693 5.324 ( -7.911 4.122 -4.799) 10.129 5.443 ( 0.536 -0.672 2.095) 2.264 5.483 ( 3.959 0.756 -2.957) 4.999 5.578 ( -1.539 -0.520 2.956) 3.373 5.646 ( 3.543 -0.082 2.636) 4.417 5.669 ( 4.347 2.488 -1.597) 5.257 5.782 ( -0.811 5.028 -1.463) 5.299 5.841 ( -2.515 -1.472 2.125) 3.607 5.959 ( -4.122 -2.165 3.553) 5.857 6.059 ( -6.569 -1.410 -1.133) 6.813 6.116 ( -3.958 1.233 2.698) 4.946 6.185 ( -0.168 1.857 -3.565) 4.023 6.199 ( -3.622 1.591 -1.384) 4.191 6.381 ( 5.731 1.143 -0.866) 5.908 6.402 ( 2.279 0.564 1.597) 2.839 6.527 ( -0.514 2.071 3.115) 3.775 6.547 ( 0.216 2.814 -3.146) 4.227 6.659 ( 1.095 0.073 3.276) 3.455 6.708 ( -1.365 2.358 -0.310) 2.742 6.774 ( 0.124 0.766 -3.558) 3.641 6.826 ( -0.785 -0.498 -0.780) 1.213 6.923 ( 0.898 -1.151 -0.485) 1.538 6.938 ( -1.223 2.855 -0.900) 3.234 6.974 ( -3.232 -2.764 -1.412) 4.481 7.009 ( -3.162 0.566 -0.491) 3.250 7.085 ( 1.233 -0.572 1.719) 2.192 7.181 ( -0.493 1.770 -0.901) 2.046 7.274 ( 3.576 -2.071 1.069) 4.268 7.404 ( -0.254 1.290 1.779) 2.212 8.041 ( -0.799 -5.845 0.358) 5.910 8.100 ( -0.758 -5.838 -0.178) 5.889 8.419 ( -3.605 8.453 -0.147) 9.191 8.487 ( -4.231 8.374 1.555) 9.510 9.153 ( 0.204 -0.376 0.112) 0.443 9.212 ( 1.908 -1.024 0.159) 2.171 9.245 ( -1.606 -0.724 1.193) 2.128 9.265 ( 0.182 -1.094 -0.699) 1.311 9.324 ( 2.209 0.017 3.103) 3.809 9.429 ( -5.655 -0.700 -4.733) 7.407 9.635 ( -0.755 -0.674 -0.408) 1.092 9.781 ( 3.931 -0.935 3.117) 5.103 9.853 ( 1.143 -0.653 0.218) 1.334 10.003 ( 5.217 -2.213 -3.609) 6.719 10.037 ( 5.125 -1.286 2.613) 5.895 10.363 ( 3.755 -5.423 -3.280) 7.367 ======================= Grid point 59 (27/60) ======================= q-point: ( 0.43 0.14 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 7.529 3.599 -2.222) 8.636 1.545 ( 3.235 0.549 -6.824) 7.572 1.639 ( 11.016 1.763 3.157) 11.594 1.746 ( 2.404 3.339 4.503) 6.100 1.880 ( 1.837 4.171 6.502) 7.940 1.923 ( -2.835 1.732 0.177) 3.327 2.035 ( 2.398 0.767 -1.244) 2.808 2.207 ( -4.687 4.362 2.090) 6.736 2.236 ( -1.674 3.658 2.311) 4.639 2.354 ( -0.114 -3.283 -5.470) 6.381 2.433 ( -0.016 1.935 -2.304) 3.008 2.512 ( 2.949 0.917 -1.723) 3.536 2.572 ( 1.932 1.218 -8.920) 9.208 2.618 ( -1.603 0.546 -5.382) 5.642 2.733 ( -5.364 1.233 -0.685) 5.547 2.832 ( 6.411 4.329 -3.873) 8.651 2.879 ( -2.782 0.693 -1.712) 3.340 3.010 ( -1.355 1.966 -1.722) 2.944 3.081 ( -3.684 -0.014 6.060) 7.092 3.104 ( -1.944 2.495 6.275) 7.027 3.133 ( 2.097 -3.305 2.855) 4.845 3.191 ( 1.864 -1.529 2.727) 3.640 3.305 ( 5.541 -3.186 -2.063) 6.717 3.393 ( -1.434 -3.385 -0.212) 3.682 3.457 ( 3.123 -6.043 -2.691) 7.315 3.526 ( -2.692 -7.306 0.249) 7.790 3.534 ( 0.759 -5.902 -0.633) 5.984 3.633 ( 4.686 -11.472 -2.458) 12.634 3.722 ( -0.103 -2.622 2.543) 3.654 3.736 ( 0.807 -5.617 -0.130) 5.676 3.817 ( -3.507 0.327 -2.500) 4.320 3.849 ( 0.196 -2.167 0.383) 2.209 3.864 ( -2.102 -1.986 1.217) 3.137 3.893 ( 1.403 -4.720 -2.184) 5.387 3.976 ( 3.579 -2.373 -4.139) 5.964 4.024 ( -0.475 -4.091 1.534) 4.395 4.046 ( 0.296 1.220 0.994) 1.601 4.099 ( 3.207 2.828 1.552) 4.548 4.177 ( 0.961 0.096 -0.318) 1.016 4.214 ( 4.774 3.080 1.819) 5.966 4.282 ( -4.777 1.409 -2.149) 5.424 4.298 ( 1.487 0.071 0.651) 1.624 4.428 ( -1.725 0.857 3.142) 3.686 4.475 ( -0.579 0.417 1.873) 2.004 4.494 ( -0.796 2.919 0.420) 3.055 4.496 ( -2.707 0.413 0.533) 2.790 4.563 ( 0.696 1.899 -3.576) 4.108 4.635 ( 3.283 1.746 -2.709) 4.601 4.677 ( -1.014 0.196 -3.135) 3.301 4.717 ( -0.216 -0.236 1.820) 1.848 4.742 ( -1.934 0.281 1.872) 2.706 4.771 ( 1.079 -3.058 0.658) 3.309 4.786 ( -7.151 -4.692 1.993) 8.782 4.835 ( -1.548 -2.131 -0.959) 2.804 4.891 ( 5.744 -1.303 2.049) 6.236 4.907 ( -1.631 -2.870 2.040) 3.881 4.958 ( -0.481 0.770 1.337) 1.616 4.985 ( 0.731 0.545 0.212) 0.936 5.032 ( -0.213 0.489 1.849) 1.924 5.114 ( -0.494 2.770 1.951) 3.424 5.189 ( -3.582 2.261 0.886) 4.328 5.217 ( -2.644 4.611 1.015) 5.412 5.250 ( -1.180 4.032 1.736) 4.546 5.302 ( 1.037 2.357 -1.722) 3.098 5.500 ( 3.153 -2.568 -0.237) 4.073 5.534 ( -2.318 -0.902 -0.939) 2.659 5.587 ( 0.722 0.383 5.113) 5.178 5.665 ( 5.019 -0.580 -5.863) 7.740 5.754 ( 0.081 5.599 -1.437) 5.781 5.778 ( -0.770 0.650 3.079) 3.239 5.831 ( -1.195 -1.746 1.875) 2.827 5.887 ( -6.535 0.204 1.495) 6.707 5.986 ( -2.016 -0.872 0.994) 2.411 6.030 ( -3.997 2.316 -3.506) 5.800 6.113 ( 2.162 0.471 0.509) 2.271 6.187 ( 1.417 3.298 -3.794) 5.223 6.427 ( -2.329 -2.224 2.819) 4.280 6.509 ( 7.484 -1.691 -2.564) 8.090 6.531 ( 2.319 1.316 -0.723) 2.763 6.597 ( 0.431 2.060 2.676) 3.405 6.612 ( -3.822 4.457 -0.291) 5.879 6.715 ( 0.732 -0.629 -2.383) 2.571 6.741 ( -0.591 0.420 -1.339) 1.522 6.782 ( -2.033 -0.580 -2.360) 3.169 6.876 ( -1.470 -0.221 -0.187) 1.498 6.928 ( 1.081 2.861 0.074) 3.059 6.942 ( -2.098 1.334 0.996) 2.679 6.981 ( 1.621 -1.050 0.820) 2.098 7.107 ( -0.899 0.272 -0.777) 1.219 7.160 ( -0.226 -1.332 -2.871) 3.173 7.340 ( 2.253 -0.873 1.963) 3.113 7.402 ( -1.830 0.939 1.910) 2.807 8.038 ( -0.104 -5.641 0.454) 5.660 8.083 ( -0.648 -5.167 -0.336) 5.218 8.382 ( -0.374 7.857 -0.252) 7.870 8.423 ( -3.332 7.702 0.033) 8.391 9.165 ( 0.578 -0.349 0.637) 0.928 9.228 ( -1.215 -0.788 0.879) 1.694 9.234 ( -0.112 -0.325 -0.985) 1.044 9.264 ( 1.003 -1.328 0.227) 1.679 9.345 ( 1.771 0.691 -1.008) 2.152 9.396 ( -1.146 -2.304 2.132) 3.342 9.616 ( 0.047 2.248 0.383) 2.281 9.804 ( -0.144 -0.642 -3.646) 3.704 9.877 ( 0.382 -1.376 1.527) 2.090 10.045 ( 2.329 -2.560 -3.107) 4.651 10.159 ( 1.704 -2.959 6.214) 7.090 10.378 ( 2.112 -4.316 -2.428) 5.383 ======================= Grid point 60 (28/60) ======================= q-point: (-0.43 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -15.621 7.590 -3.709) 17.759 1.436 ( -5.767 3.115 -0.379) 6.566 1.645 ( -9.730 -1.188 -0.796) 9.835 1.800 ( -3.898 2.985 6.561) 8.194 1.921 ( 1.933 2.381 -4.357) 5.328 2.000 ( 3.620 2.142 6.220) 7.509 2.083 ( -0.291 0.665 4.569) 4.627 2.220 ( 7.007 0.565 2.055) 7.324 2.295 ( 1.726 1.575 -3.424) 4.146 2.336 ( 0.068 1.143 -1.090) 1.581 2.435 ( 4.605 0.786 -3.203) 5.664 2.452 ( 2.709 4.896 -13.201) 14.338 2.511 ( -1.478 2.304 -0.592) 2.801 2.561 ( 2.390 3.333 -1.285) 4.298 2.684 ( -2.525 -4.031 1.824) 5.094 2.796 ( -10.017 6.075 -3.885) 12.343 2.850 ( 0.092 0.653 -3.959) 4.014 2.921 ( 0.739 -0.067 0.355) 0.823 3.096 ( 0.823 1.821 1.803) 2.691 3.151 ( -0.742 0.025 3.985) 4.054 3.214 ( 0.843 -6.313 3.732) 7.382 3.308 ( 0.832 -3.840 1.879) 4.355 3.362 ( -1.027 -4.910 -0.903) 5.097 3.417 ( -0.174 -3.351 -4.271) 5.432 3.423 ( 1.006 -1.579 3.690) 4.137 3.468 ( -1.986 -8.401 2.644) 9.028 3.526 ( -0.203 -2.554 -1.582) 3.011 3.588 ( -0.118 -3.900 -4.966) 6.316 3.687 ( -1.352 -3.418 -0.891) 3.782 3.732 ( 1.137 -3.735 -0.030) 3.905 3.782 ( 1.601 -4.062 -1.528) 4.625 3.852 ( -1.312 -4.990 -0.403) 5.175 3.887 ( 1.229 -5.487 0.583) 5.654 3.907 ( 0.440 -3.738 0.304) 3.776 3.953 ( 0.550 -3.443 -3.843) 5.188 4.019 ( -2.856 -1.203 1.459) 3.425 4.067 ( 1.718 -1.484 0.514) 2.328 4.128 ( -1.080 2.604 0.660) 2.895 4.169 ( 0.908 1.437 2.162) 2.750 4.207 ( -0.296 0.479 -0.538) 0.779 4.246 ( -3.156 6.150 2.718) 7.428 4.369 ( 2.994 -0.461 -4.876) 5.740 4.410 ( -4.154 1.464 1.787) 4.753 4.440 ( -3.004 3.195 0.214) 4.391 4.516 ( 1.052 -1.421 -0.702) 1.902 4.529 ( 5.527 3.266 0.183) 6.422 4.552 ( 1.674 1.442 0.756) 2.335 4.598 ( -4.943 -0.173 -0.276) 4.953 4.617 ( -0.636 2.297 0.692) 2.482 4.648 ( -2.618 -3.531 -0.687) 4.449 4.733 ( 0.948 -4.003 1.784) 4.483 4.781 ( -0.815 1.057 0.761) 1.536 4.833 ( -0.862 -2.690 5.410) 6.103 4.850 ( 1.395 -3.329 -0.034) 3.610 4.865 ( 2.576 -0.331 -0.478) 2.641 4.931 ( -2.963 -0.129 -0.189) 2.971 4.981 ( -0.067 -0.720 0.600) 0.939 5.033 ( -0.226 1.005 1.862) 2.128 5.104 ( 3.446 2.055 -0.763) 4.084 5.146 ( 1.261 0.929 1.842) 2.418 5.190 ( -1.459 4.793 -1.485) 5.226 5.224 ( -0.354 2.805 1.654) 3.275 5.302 ( 2.865 1.803 -0.214) 3.392 5.367 ( 10.047 1.055 5.443) 11.475 5.430 ( -2.940 -3.730 2.723) 5.475 5.547 ( 1.677 -1.429 -1.532) 2.684 5.574 ( -5.435 1.130 -3.655) 6.647 5.675 ( -2.014 4.197 2.118) 5.114 5.689 ( 0.788 0.956 -5.370) 5.512 5.763 ( 2.065 4.280 -2.813) 5.522 5.828 ( -0.151 1.731 3.316) 3.744 5.924 ( 6.202 0.024 2.734) 6.778 5.989 ( 2.785 -3.478 -0.913) 4.549 6.025 ( -0.955 -0.520 5.456) 5.563 6.164 ( 1.049 1.278 -1.295) 2.099 6.179 ( 6.124 2.827 -6.901) 9.650 6.368 ( -7.387 -0.150 2.048) 7.668 6.474 ( -6.030 0.066 1.324) 6.174 6.502 ( -4.976 0.694 -0.141) 5.027 6.591 ( -1.727 -1.182 -2.227) 3.056 6.657 ( 3.151 0.150 2.090) 3.784 6.711 ( 2.931 3.109 -4.998) 6.575 6.717 ( 0.053 3.475 -0.095) 3.477 6.764 ( 4.017 -1.887 -2.857) 5.278 6.875 ( -0.331 -0.342 1.201) 1.292 6.928 ( 0.657 1.187 0.678) 1.517 7.009 ( -0.305 1.384 -0.010) 1.417 7.016 ( 3.485 1.851 2.338) 4.586 7.059 ( -0.232 -1.542 -0.427) 1.617 7.109 ( -0.748 -1.094 -4.216) 4.419 7.353 ( -3.820 -0.195 1.858) 4.252 7.423 ( 2.209 -0.715 1.510) 2.770 8.045 ( 0.164 -5.877 0.746) 5.926 8.075 ( 0.363 -4.286 -0.617) 4.345 8.379 ( -0.285 8.585 -0.089) 8.591 8.407 ( 2.503 7.365 -0.116) 7.780 9.178 ( -0.431 -0.150 0.997) 1.097 9.212 ( -0.544 -0.374 -1.335) 1.490 9.222 ( -0.797 -0.618 1.294) 1.641 9.282 ( 0.859 -0.417 -0.468) 1.063 9.339 ( -5.029 -1.289 -0.301) 5.200 9.425 ( 5.666 -1.714 1.734) 6.168 9.657 ( 1.625 1.981 2.559) 3.621 9.719 ( -3.300 0.665 -5.093) 6.105 9.901 ( -0.656 -1.349 2.856) 3.226 10.009 ( -1.566 -2.118 -4.198) 4.955 10.213 ( -2.675 -3.486 5.741) 7.230 10.388 ( 1.764 -5.811 -2.922) 6.740 ======================= Grid point 61 (29/60) ======================= q-point: (-0.29 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -17.603 11.469 4.202) 21.426 1.119 ( -23.413 6.586 -0.911) 24.338 1.556 ( -5.882 1.666 5.622) 8.305 1.781 ( -13.753 5.793 -0.148) 14.924 1.877 ( 1.672 -1.681 7.256) 7.633 1.938 ( -13.127 8.362 -8.512) 17.740 2.154 ( 2.193 3.857 -3.580) 5.701 2.196 ( -2.034 4.451 3.927) 6.275 2.296 ( 0.276 3.415 -9.612) 10.205 2.340 ( 4.329 0.622 1.193) 4.533 2.410 ( 2.858 -1.792 -2.423) 4.153 2.489 ( -0.799 1.776 -5.281) 5.629 2.517 ( -3.675 7.530 3.186) 8.964 2.522 ( 11.075 0.710 -1.223) 11.165 2.643 ( 4.961 2.549 -3.017) 6.341 2.772 ( 0.216 -7.689 4.526) 8.925 2.894 ( 5.207 -2.591 0.631) 5.850 2.989 ( 4.018 -0.867 1.822) 4.496 3.098 ( -4.347 2.851 1.801) 5.501 3.151 ( 0.006 -4.609 -2.272) 5.138 3.195 ( -3.289 -5.920 -0.258) 6.777 3.265 ( 0.647 -0.749 -1.348) 1.673 3.335 ( -1.538 -4.267 0.961) 4.637 3.371 ( -2.345 -8.583 2.182) 9.161 3.419 ( -1.900 -3.715 0.173) 4.176 3.492 ( 0.914 -3.657 -1.767) 4.163 3.550 ( 0.162 -4.005 4.085) 5.724 3.606 ( 5.273 -4.306 -4.429) 8.122 3.670 ( -5.745 -3.366 -2.019) 6.958 3.728 ( -0.068 -4.643 1.368) 4.841 3.782 ( 0.582 -3.883 -0.744) 3.996 3.816 ( -0.063 -3.549 -0.931) 3.669 3.883 ( -3.914 -5.185 5.926) 8.793 3.902 ( 1.726 -2.453 -2.276) 3.765 3.949 ( -1.015 2.005 -0.629) 2.334 3.995 ( 0.161 -4.383 -0.193) 4.391 4.063 ( -1.541 0.783 0.780) 1.896 4.123 ( 1.358 0.768 -1.190) 1.962 4.184 ( -4.667 1.675 -0.226) 4.964 4.245 ( 2.681 2.346 0.175) 3.567 4.278 ( 3.204 1.742 2.752) 4.569 4.352 ( 1.554 -1.382 -2.549) 3.289 4.357 ( -0.350 0.431 -0.685) 0.882 4.396 ( -2.120 2.925 -0.026) 3.613 4.443 ( -5.372 -0.668 -1.567) 5.636 4.484 ( -5.098 1.565 -0.008) 5.332 4.593 ( 0.271 -1.206 2.143) 2.474 4.622 ( 2.225 2.345 3.226) 4.567 4.656 ( -10.519 1.542 1.596) 10.750 4.709 ( -0.894 -1.517 1.299) 2.188 4.719 ( 3.161 -0.625 2.266) 3.939 4.758 ( 2.140 -3.847 1.598) 4.683 4.814 ( -1.852 -0.018 1.671) 2.495 4.876 ( 4.893 -0.850 -4.103) 6.442 4.894 ( -0.849 -2.343 -0.213) 2.501 4.936 ( 2.158 0.212 1.177) 2.467 4.994 ( 0.349 0.477 -1.016) 1.175 5.044 ( 0.830 0.565 0.402) 1.082 5.084 ( -2.497 5.033 -1.728) 5.878 5.158 ( 4.243 4.035 -2.059) 6.206 5.211 ( 4.290 0.301 2.043) 4.761 5.258 ( 4.735 1.515 -2.268) 5.464 5.335 ( 1.915 1.300 -0.043) 2.315 5.375 ( -1.124 -6.454 -1.552) 6.733 5.461 ( 2.349 -2.164 -3.208) 4.527 5.512 ( -3.404 1.784 -2.127) 4.393 5.617 ( -0.559 -1.447 2.463) 2.911 5.697 ( 3.321 4.028 -0.923) 5.301 5.749 ( 3.734 3.963 -0.618) 5.480 5.797 ( 1.535 2.870 5.378) 6.286 5.929 ( 7.410 2.324 5.042) 9.259 5.976 ( 2.652 -2.280 -5.391) 6.426 6.003 ( -2.826 -2.041 5.841) 6.803 6.127 ( 5.050 3.146 -0.130) 5.952 6.180 ( 0.955 -0.370 -5.559) 5.652 6.195 ( 2.566 3.115 -2.106) 4.552 6.249 ( -2.400 0.272 0.933) 2.589 6.386 ( -4.512 -0.194 3.245) 5.561 6.432 ( -3.869 0.402 1.804) 4.287 6.551 ( -0.896 -1.020 0.519) 1.453 6.671 ( 0.088 2.549 -5.814) 6.349 6.719 ( 1.742 1.951 1.830) 3.192 6.732 ( 1.064 2.232 0.303) 2.491 6.820 ( 0.423 0.774 0.330) 0.942 6.882 ( 2.307 -0.190 -2.806) 3.637 6.909 ( -0.331 1.402 1.609) 2.160 6.982 ( -1.913 -0.037 -1.503) 2.433 7.040 ( -0.070 0.003 -2.585) 2.586 7.094 ( 2.129 -0.043 1.387) 2.541 7.132 ( 3.559 -1.264 0.669) 3.835 7.283 ( -5.223 0.078 1.053) 5.329 7.471 ( 1.331 -0.561 1.402) 2.013 8.059 ( 0.351 -6.417 0.983) 6.501 8.080 ( 0.983 -3.984 -0.899) 4.201 8.401 ( 2.577 9.007 0.124) 9.369 8.481 ( 4.924 9.324 1.486) 10.649 9.166 ( -1.619 -0.495 0.345) 1.728 9.185 ( -1.538 -0.561 -0.239) 1.655 9.224 ( -1.113 0.434 1.274) 1.747 9.270 ( -1.209 -0.160 0.612) 1.365 9.285 ( 0.181 -0.357 -0.422) 0.582 9.510 ( 1.388 -4.217 -3.206) 5.476 9.622 ( -1.073 1.094 -0.349) 1.572 9.717 ( 1.818 2.613 2.773) 4.222 9.904 ( -2.474 -1.779 2.596) 4.003 9.921 ( -2.876 -1.292 -3.243) 4.523 10.205 ( -4.388 -3.387 4.732) 7.288 10.337 ( -2.920 -9.990 -7.392) 12.766 ======================= Grid point 62 (30/60) ======================= q-point: (-0.14 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -17.167 17.823 5.509) 25.352 0.769 ( -19.152 16.934 5.866) 26.229 1.306 ( -30.258 26.030 14.483) 42.460 1.535 ( -1.255 -3.016 -3.485) 4.777 1.728 ( -6.749 2.614 -5.418) 9.041 1.971 ( 3.718 3.603 -5.026) 7.216 2.104 ( -1.822 4.577 -10.655) 11.739 2.182 ( 5.179 -4.250 0.890) 6.758 2.328 ( 3.770 1.899 -1.118) 4.367 2.389 ( 1.466 -2.719 -2.524) 3.989 2.439 ( -3.918 3.879 6.872) 8.811 2.499 ( 5.595 0.348 1.030) 5.699 2.578 ( 8.278 7.648 -1.902) 11.430 2.657 ( 6.243 -4.009 1.049) 7.494 2.712 ( 5.847 0.281 -2.337) 6.303 2.786 ( -3.739 -6.479 2.986) 8.054 2.967 ( -1.138 -3.607 3.697) 5.289 3.010 ( -2.020 -0.137 1.223) 2.365 3.065 ( -2.067 -5.896 4.552) 7.730 3.150 ( 2.299 -0.650 2.763) 3.653 3.182 ( -0.852 -0.202 -0.941) 1.285 3.267 ( -3.582 -0.682 0.270) 3.656 3.346 ( 0.835 -4.556 -1.721) 4.941 3.350 ( 1.693 -3.587 -1.576) 4.268 3.422 ( 1.582 -6.625 2.187) 7.154 3.472 ( -1.701 -0.713 1.299) 2.256 3.525 ( -2.776 0.858 -1.915) 3.480 3.584 ( -2.368 -6.616 1.896) 7.278 3.654 ( 5.851 -3.326 -6.137) 9.109 3.700 ( -0.908 -5.315 -1.044) 5.492 3.787 ( -3.964 -2.411 -2.386) 5.217 3.808 ( -2.708 -4.940 2.146) 6.028 3.866 ( 3.574 -4.251 -0.888) 5.624 3.894 ( -1.345 -0.963 -2.960) 3.391 3.964 ( 2.621 -0.568 0.974) 2.853 4.003 ( -0.160 -4.161 3.081) 5.180 4.051 ( 0.247 1.417 -4.568) 4.789 4.094 ( -0.573 4.766 -0.078) 4.801 4.145 ( 1.418 -3.339 -0.786) 3.712 4.231 ( -7.569 -1.659 -2.264) 8.073 4.242 ( -3.706 -1.057 -3.552) 5.241 4.314 ( -2.366 1.476 -3.763) 4.684 4.350 ( 0.107 -1.911 1.289) 2.308 4.366 ( -0.480 -1.456 4.753) 4.994 4.417 ( 4.655 1.600 -0.645) 4.964 4.469 ( 0.473 4.566 2.864) 5.410 4.540 ( -5.013 0.837 5.608) 7.569 4.543 ( -5.978 -3.552 0.014) 6.953 4.657 ( -6.406 2.194 6.966) 9.715 4.711 ( 0.780 -1.751 0.771) 2.066 4.749 ( -1.552 -7.338 -2.301) 7.845 4.783 ( 2.349 -0.015 0.908) 2.518 4.860 ( -0.713 0.402 -2.513) 2.643 4.876 ( 2.594 2.338 -0.713) 3.564 4.911 ( 0.238 -0.583 3.477) 3.534 4.957 ( 0.526 1.435 -2.855) 3.239 4.995 ( 2.732 0.555 0.330) 2.807 5.038 ( 1.283 4.405 0.244) 4.595 5.100 ( 1.137 1.834 -0.573) 2.232 5.213 ( 2.545 4.036 -1.975) 5.164 5.285 ( -4.530 3.235 1.127) 5.680 5.318 ( 5.479 -4.220 0.383) 6.926 5.353 ( 0.071 -2.634 -0.754) 2.741 5.376 ( 4.600 -0.237 -3.611) 5.852 5.432 ( 0.632 -0.290 -2.167) 2.276 5.536 ( 9.075 -1.019 -2.860) 9.570 5.622 ( -7.747 1.408 -0.233) 7.878 5.674 ( -0.076 -1.036 -3.016) 3.190 5.729 ( 2.154 2.145 -0.985) 3.196 5.812 ( 3.137 4.044 -0.085) 5.119 5.965 ( -8.643 -2.429 3.025) 9.474 5.999 ( 1.317 -1.306 -3.644) 4.089 6.084 ( -1.417 1.511 2.029) 2.899 6.156 ( 4.749 2.654 -0.084) 5.441 6.188 ( 6.350 1.429 2.693) 7.043 6.271 ( 3.978 3.098 -2.347) 5.562 6.293 ( 2.746 2.583 0.847) 3.864 6.372 ( -1.293 2.342 3.515) 4.417 6.420 ( -0.695 -0.579 1.747) 1.968 6.563 ( 0.951 -0.208 2.547) 2.727 6.631 ( 0.885 3.158 -1.650) 3.671 6.701 ( -1.901 -1.642 -0.869) 2.658 6.791 ( 3.783 4.344 -0.502) 5.782 6.831 ( -1.121 2.514 3.343) 4.330 6.870 ( -1.781 -0.969 -1.926) 2.796 6.925 ( 2.758 -1.060 -2.534) 3.893 6.971 ( -1.783 1.903 2.254) 3.447 7.058 ( 5.021 -0.070 1.744) 5.316 7.098 ( -2.369 -2.696 -0.265) 3.599 7.175 ( 1.069 0.298 -0.334) 1.159 7.206 ( -4.257 0.421 0.296) 4.288 7.499 ( 0.859 -0.213 -1.290) 1.564 8.076 ( -0.100 -6.826 0.974) 6.896 8.091 ( 1.670 -4.568 -0.763) 4.923 8.457 ( 2.593 9.597 1.056) 9.997 8.618 ( 8.244 10.313 -0.135) 13.203 9.152 ( -0.473 -1.939 1.637) 2.581 9.158 ( -1.551 -0.696 0.612) 1.807 9.228 ( -1.187 -0.107 2.791) 3.035 9.278 ( 1.429 0.259 -0.337) 1.491 9.345 ( 6.854 1.467 6.432) 9.513 9.455 ( 0.121 0.637 -2.957) 3.027 9.630 ( -0.572 -3.084 1.332) 3.408 9.769 ( 0.365 0.076 -0.275) 0.463 9.854 ( -2.916 -1.360 -2.063) 3.822 9.877 ( -2.029 -1.623 -0.360) 2.623 10.037 ( -17.089 -9.928 -11.186) 22.710 10.164 ( -6.116 -2.855 3.296) 7.511 ======================= Grid point 63 (31/60) ======================= q-point: ( 0.00 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -2.888 21.396 2.529) 21.738 1.208 ( 5.286 18.959 2.571) 19.849 1.416 ( -0.500 6.806 -3.912) 7.866 1.578 ( -2.963 7.027 -6.608) 10.090 1.863 ( -1.635 23.701 14.892) 28.039 1.940 ( -0.339 0.576 -0.219) 0.703 2.085 ( 0.559 -7.365 -4.804) 8.811 2.200 ( 0.825 0.040 -2.748) 2.869 2.248 ( -2.145 -2.503 -9.297) 9.864 2.392 ( 3.868 -0.417 3.096) 4.972 2.479 ( 0.824 0.064 7.617) 7.661 2.607 ( 4.178 -2.768 0.675) 5.058 2.624 ( 0.474 -3.599 7.318) 8.169 2.732 ( -1.604 1.584 -0.316) 2.276 2.752 ( 1.005 0.998 0.071) 1.418 2.794 ( 3.702 -0.925 2.854) 4.765 2.826 ( -3.336 -1.452 -3.470) 5.028 2.962 ( -3.819 -1.765 -2.070) 4.689 2.991 ( -5.821 0.946 0.742) 5.944 3.056 ( 3.501 -5.605 -3.034) 7.272 3.137 ( -2.421 -6.965 0.723) 7.409 3.217 ( 2.332 -4.467 -2.446) 5.602 3.246 ( 1.140 -4.271 1.444) 4.650 3.327 ( -3.191 -4.249 -0.991) 5.405 3.348 ( 2.899 -1.588 -1.493) 3.627 3.401 ( 0.841 -3.340 -0.011) 3.445 3.469 ( -2.114 1.406 1.116) 2.773 3.574 ( -3.609 -0.860 -2.011) 4.220 3.580 ( -1.031 -0.042 0.290) 1.072 3.609 ( 2.707 -3.259 1.041) 4.363 3.709 ( 3.037 -1.300 1.134) 3.492 3.763 ( 0.524 -2.420 1.931) 3.140 3.785 ( 2.824 -3.116 1.573) 4.490 3.829 ( -3.764 -5.168 1.812) 6.646 3.898 ( 0.957 -4.749 0.379) 4.859 3.936 ( 0.756 -4.481 -0.807) 4.616 4.028 ( -1.343 -1.946 -6.475) 6.894 4.055 ( -2.569 -3.266 1.761) 4.513 4.114 ( 1.315 -1.266 1.871) 2.614 4.144 ( 3.853 -1.206 -1.424) 4.281 4.177 ( -0.829 -6.272 -1.083) 6.418 4.214 ( 2.183 1.336 0.526) 2.613 4.358 ( -4.061 -0.092 -2.614) 4.831 4.412 ( 0.620 2.425 -0.603) 2.575 4.426 ( 0.795 3.287 -2.128) 3.996 4.460 ( -0.323 3.754 -0.808) 3.853 4.567 ( -0.085 -2.145 3.472) 4.082 4.594 ( -0.645 2.668 0.280) 2.759 4.629 ( 1.114 0.953 0.895) 1.718 4.722 ( 1.617 -0.307 2.443) 2.946 4.752 ( -1.595 -1.338 -1.002) 2.311 4.775 ( 2.232 -0.628 -2.162) 3.170 4.844 ( -2.358 2.834 5.954) 7.003 4.909 ( 2.103 -0.157 -2.757) 3.471 4.935 ( -3.338 -0.167 0.985) 3.485 4.988 ( -0.923 -7.538 0.829) 7.639 5.009 ( 0.243 -1.274 -0.760) 1.503 5.051 ( -0.894 0.550 -0.366) 1.112 5.104 ( 2.546 2.571 -6.367) 7.324 5.140 ( 0.644 -3.406 -2.473) 4.258 5.263 ( 1.542 -2.012 4.480) 5.148 5.352 ( -1.170 -0.005 -1.681) 2.048 5.399 ( 0.939 0.374 0.376) 1.078 5.426 ( 0.403 5.225 1.207) 5.377 5.472 ( 0.926 -0.506 -0.027) 1.055 5.514 ( -2.817 0.001 -2.287) 3.629 5.603 ( -3.111 2.020 -3.373) 5.014 5.661 ( 0.363 4.211 -2.990) 5.178 5.769 ( 3.772 -1.792 1.572) 4.462 5.841 ( -1.728 -0.204 4.065) 4.422 5.864 ( 0.680 -0.892 -2.244) 2.508 5.993 ( 1.248 0.337 -3.522) 3.752 6.101 ( -2.915 0.390 4.979) 5.783 6.206 ( -1.002 1.881 -0.480) 2.184 6.265 ( 3.750 0.719 0.729) 3.887 6.364 ( -2.925 3.538 -2.255) 5.114 6.396 ( -3.128 4.432 -0.568) 5.454 6.444 ( 0.969 0.814 -0.836) 1.517 6.487 ( 0.131 2.617 5.727) 6.298 6.623 ( -1.600 -0.425 0.469) 1.721 6.659 ( 1.036 1.040 2.869) 3.223 6.709 ( 4.245 1.815 -0.021) 4.617 6.826 ( -0.516 -1.255 2.214) 2.597 6.857 ( -0.467 -1.074 0.335) 1.218 6.884 ( 0.806 2.593 1.087) 2.925 6.930 ( 1.126 -0.514 -1.366) 1.843 6.982 ( -1.373 -0.818 2.005) 2.564 7.075 ( 1.354 4.773 1.047) 5.071 7.091 ( 0.409 -1.980 -2.670) 3.349 7.175 ( -0.412 2.110 -2.288) 3.139 7.247 ( 0.950 1.254 2.056) 2.589 7.392 ( -2.901 -3.071 -3.574) 5.533 7.980 ( -0.737 -2.817 0.630) 2.979 8.027 ( 1.004 -3.338 -1.461) 3.779 8.673 ( 0.589 6.646 1.549) 6.850 8.761 ( -0.951 3.005 -2.620) 4.098 9.141 ( -0.358 0.070 0.573) 0.679 9.155 ( 1.444 0.021 0.522) 1.535 9.232 ( -0.318 0.709 1.734) 1.901 9.307 ( -0.110 0.984 -2.082) 2.305 9.407 ( -1.369 -0.963 -0.181) 1.684 9.460 ( -9.180 0.389 -4.642) 10.294 9.578 ( -1.540 -0.686 1.218) 2.080 9.648 ( 10.413 -3.983 -1.015) 11.195 9.813 ( 1.171 0.099 3.683) 3.866 9.867 ( 3.716 -1.902 4.615) 6.223 9.910 ( 1.059 -1.383 -0.061) 1.743 10.012 ( -4.177 -3.032 -1.331) 5.330 ======================= Grid point 64 (32/60) ======================= q-point: ( 0.14 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 7.609 15.504 4.312) 17.801 1.357 ( 11.627 12.055 -1.813) 16.847 1.489 ( 5.542 12.255 -3.286) 13.845 1.545 ( 9.213 13.170 -0.246) 16.075 1.844 ( -3.995 5.075 5.553) 8.518 2.002 ( -0.995 -2.509 -3.577) 4.482 2.118 ( 3.411 4.771 -0.577) 5.894 2.187 ( 4.191 -2.636 -6.217) 7.947 2.275 ( 5.646 2.899 8.327) 10.470 2.443 ( -1.192 -0.980 -5.470) 5.683 2.489 ( -3.115 -1.436 1.103) 3.603 2.629 ( -1.447 1.273 1.642) 2.532 2.665 ( -6.043 -4.925 -2.288) 8.124 2.685 ( -2.417 -2.868 8.534) 9.322 2.709 ( -1.437 2.157 -4.284) 5.007 2.748 ( -0.769 3.310 5.612) 6.561 2.890 ( 4.689 -1.390 4.882) 6.910 2.956 ( 4.501 -3.361 -4.123) 6.968 3.015 ( 3.804 0.000 -4.821) 6.141 3.084 ( 2.917 -1.834 -1.861) 3.916 3.153 ( 1.419 -4.656 6.993) 8.520 3.182 ( -0.573 -1.757 -1.880) 2.636 3.234 ( -2.480 -8.480 0.085) 8.836 3.294 ( 1.469 -5.706 -1.366) 6.048 3.352 ( -1.327 -3.894 -0.546) 4.150 3.407 ( -8.213 0.412 4.202) 9.235 3.435 ( 2.426 -1.930 -4.718) 5.645 3.492 ( -1.424 -0.415 1.830) 2.356 3.551 ( -0.114 -1.489 -1.253) 1.950 3.642 ( -0.642 -0.322 -1.270) 1.459 3.730 ( -1.649 -2.459 -2.812) 4.084 3.795 ( 2.060 -4.090 3.646) 5.854 3.834 ( -2.712 -3.820 4.187) 6.283 3.846 ( 1.218 -2.817 2.391) 3.891 3.888 ( 1.651 -0.163 0.085) 1.661 3.976 ( 1.448 -1.250 -2.906) 3.479 3.980 ( 0.821 -5.500 2.468) 6.084 4.047 ( 0.404 -3.650 0.782) 3.755 4.097 ( 0.319 1.430 -7.221) 7.368 4.185 ( -1.131 -0.751 -4.153) 4.370 4.229 ( 5.804 -3.147 -2.490) 7.056 4.269 ( 6.608 -0.985 1.627) 6.876 4.355 ( 4.230 -1.260 1.943) 4.822 4.393 ( 0.771 1.179 -1.184) 1.840 4.418 ( 0.972 3.877 1.071) 4.138 4.485 ( 2.986 -0.147 -1.045) 3.167 4.595 ( -0.554 -1.318 2.307) 2.714 4.616 ( -0.351 2.800 3.269) 4.319 4.660 ( 0.915 -1.621 0.497) 1.927 4.708 ( -0.754 0.095 0.286) 0.812 4.729 ( -3.971 -1.611 -1.360) 4.496 4.744 ( -0.254 -2.409 -3.750) 4.464 4.813 ( -4.028 -0.132 0.676) 4.087 4.873 ( -3.324 4.493 4.787) 7.358 4.923 ( -0.429 -2.158 -4.586) 5.087 4.961 ( -0.969 -2.050 -3.282) 3.989 4.977 ( -3.646 -3.146 -1.081) 4.935 5.054 ( 1.264 -4.641 0.686) 4.858 5.107 ( 4.992 -1.901 0.047) 5.341 5.192 ( 2.768 1.069 1.889) 3.518 5.289 ( -1.212 3.326 -2.542) 4.358 5.343 ( 0.922 -1.894 1.697) 2.705 5.368 ( -5.388 -0.706 1.266) 5.579 5.402 ( -2.863 4.909 1.876) 5.984 5.489 ( -1.264 -3.579 -0.645) 3.850 5.523 ( 1.838 2.196 -1.587) 3.274 5.544 ( 1.289 3.349 2.413) 4.324 5.632 ( 1.914 4.813 -3.796) 6.422 5.755 ( -0.747 1.735 -4.332) 4.726 5.843 ( -0.547 -0.710 2.002) 2.193 5.864 ( -3.772 1.662 -0.456) 4.147 5.993 ( 1.646 0.823 -0.318) 1.868 6.122 ( -5.726 -1.149 0.923) 5.913 6.182 ( -1.532 0.983 0.536) 1.897 6.224 ( -1.186 4.513 -0.783) 4.731 6.304 ( -2.200 -0.234 1.861) 2.891 6.360 ( -1.975 2.477 1.136) 3.366 6.445 ( 0.547 0.404 1.795) 1.920 6.507 ( -3.992 0.925 3.205) 5.202 6.620 ( 0.574 2.559 1.540) 3.041 6.666 ( -0.090 1.522 -3.793) 4.088 6.768 ( 1.174 2.261 -1.007) 2.740 6.820 ( -1.452 0.482 -0.189) 1.541 6.841 ( 0.563 -1.854 3.100) 3.656 6.904 ( -1.035 2.876 -1.416) 3.369 6.972 ( -0.052 -0.456 0.846) 0.962 6.980 ( 2.696 -1.812 1.056) 3.416 7.024 ( -2.901 -0.392 -1.775) 3.423 7.098 ( -2.078 1.306 -0.335) 2.477 7.181 ( 3.372 1.148 -0.808) 3.653 7.266 ( -2.213 1.067 0.489) 2.505 7.353 ( 2.752 -1.324 0.152) 3.058 7.969 ( -1.018 -2.562 0.494) 2.801 8.023 ( 0.312 -3.293 -1.145) 3.500 8.674 ( -4.428 6.223 0.816) 7.681 8.674 ( -3.604 5.412 -0.600) 6.530 9.144 ( 0.230 -0.131 -0.139) 0.299 9.172 ( 0.342 -0.238 0.057) 0.421 9.255 ( -1.265 -0.113 -0.448) 1.346 9.274 ( -0.659 0.015 -0.270) 0.712 9.276 ( -2.818 0.804 2.985) 4.183 9.449 ( -1.617 -5.911 0.506) 6.149 9.619 ( 4.843 2.680 -0.302) 5.543 9.704 ( 2.155 -0.361 -2.166) 3.077 9.851 ( 0.557 1.511 0.689) 1.751 9.915 ( 2.008 -2.137 0.549) 2.983 9.941 ( 1.125 -2.731 -4.125) 5.073 10.101 ( 9.563 -7.719 2.634) 12.569 ======================= Grid point 65 (33/60) ======================= q-point: ( 0.29 0.29 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 12.519 11.303 2.543) 17.057 1.530 ( 7.908 10.841 -5.782) 14.612 1.587 ( 14.701 10.039 -4.746) 18.424 1.787 ( 7.103 13.170 10.579) 18.325 1.819 ( -2.862 2.218 1.903) 4.091 2.021 ( 0.840 -2.156 -0.903) 2.484 2.095 ( -2.103 6.333 -0.469) 6.689 2.237 ( 3.488 1.257 1.228) 3.906 2.335 ( -3.276 -5.658 0.173) 6.540 2.387 ( 5.257 -2.993 -5.244) 8.006 2.465 ( 2.160 0.350 1.367) 2.580 2.486 ( -7.240 -3.329 -3.505) 8.706 2.611 ( -5.347 1.968 1.566) 5.909 2.677 ( 0.555 1.930 -2.381) 3.115 2.776 ( 4.054 4.191 4.999) 7.680 2.845 ( 5.023 -0.672 1.531) 5.294 2.960 ( 0.810 -5.367 -2.066) 5.808 2.975 ( 0.061 -1.586 -6.504) 6.695 3.058 ( 1.786 1.321 3.900) 4.488 3.080 ( -1.633 -3.605 1.436) 4.210 3.131 ( -2.641 1.142 -1.307) 3.160 3.192 ( -1.388 -2.260 -3.088) 4.070 3.237 ( -8.730 -1.725 2.107) 9.145 3.286 ( 5.474 -9.009 -1.623) 10.666 3.329 ( 2.281 -2.972 0.666) 3.805 3.362 ( -1.630 -5.215 -1.419) 5.645 3.404 ( 2.109 -2.167 2.055) 3.656 3.504 ( -1.821 -2.177 -2.232) 3.611 3.546 ( 2.012 -3.125 -1.616) 4.052 3.620 ( 1.844 -4.159 0.768) 4.614 3.760 ( 2.459 -3.425 1.761) 4.569 3.791 ( -2.028 -3.992 1.375) 4.684 3.844 ( -1.536 -3.906 -1.897) 4.606 3.865 ( -0.340 -1.405 2.722) 3.082 3.933 ( 2.332 0.108 1.887) 3.002 3.969 ( -0.873 -1.932 0.870) 2.292 3.994 ( 0.982 -1.026 1.595) 2.136 4.069 ( 1.878 0.291 -0.603) 1.994 4.131 ( 7.885 2.387 -0.317) 8.244 4.156 ( 3.896 0.560 -5.527) 6.785 4.290 ( 3.883 -1.982 -2.532) 5.042 4.359 ( -0.172 1.021 0.215) 1.058 4.372 ( 2.150 -1.081 -1.213) 2.695 4.443 ( 3.365 -0.276 1.152) 3.567 4.483 ( -2.127 -0.551 -2.530) 3.351 4.555 ( 6.039 0.531 2.286) 6.479 4.569 ( -2.832 -1.254 1.093) 3.285 4.634 ( -2.445 0.012 1.619) 2.932 4.652 ( 2.532 -2.399 3.330) 4.823 4.695 ( 2.525 -2.696 -1.031) 3.835 4.729 ( -0.522 -1.041 2.673) 2.916 4.746 ( -1.343 0.915 2.815) 3.250 4.799 ( -3.908 1.254 -4.700) 6.240 4.839 ( 1.448 -0.250 2.726) 3.097 4.854 ( 0.620 -1.646 -2.553) 3.100 4.882 ( -1.712 0.161 2.333) 2.898 4.946 ( -3.449 0.003 -0.932) 3.573 5.070 ( -0.682 -1.011 1.172) 1.691 5.096 ( -3.711 -3.909 -3.534) 6.445 5.179 ( -5.445 0.101 -2.217) 5.880 5.268 ( 3.187 2.191 -1.265) 4.069 5.297 ( -1.326 2.680 2.513) 3.906 5.384 ( -0.715 2.232 -0.388) 2.376 5.397 ( -7.217 -0.051 -1.956) 7.478 5.417 ( 0.328 3.632 2.686) 4.530 5.532 ( 1.811 0.261 -1.522) 2.380 5.560 ( -0.216 2.665 2.043) 3.365 5.647 ( -4.216 -0.792 -1.162) 4.445 5.741 ( 2.008 2.992 3.314) 4.895 5.810 ( -0.121 -0.347 0.651) 0.748 5.855 ( 1.056 1.568 -0.166) 1.898 5.955 ( -5.639 0.237 -1.380) 5.810 6.012 ( -3.121 0.317 2.700) 4.139 6.148 ( -6.192 0.995 1.717) 6.502 6.232 ( 1.125 1.818 -0.248) 2.153 6.257 ( -3.524 3.861 -1.555) 5.454 6.355 ( 1.396 -1.573 1.878) 2.819 6.450 ( 0.671 2.802 -3.262) 4.352 6.547 ( 3.189 -2.049 3.057) 4.870 6.601 ( 0.032 1.086 -3.436) 3.604 6.652 ( 0.224 3.121 1.486) 3.464 6.756 ( -0.224 -0.363 -2.492) 2.528 6.792 ( -1.829 2.840 -0.290) 3.391 6.860 ( -1.058 1.229 -0.402) 1.671 6.878 ( 1.168 -2.030 -1.921) 3.029 6.930 ( -2.565 -1.121 -0.738) 2.895 7.001 ( 0.182 1.601 -1.065) 1.931 7.013 ( -3.920 1.593 1.527) 4.499 7.066 ( 2.235 -1.444 0.449) 2.698 7.177 ( -1.476 -1.125 -0.977) 2.097 7.286 ( 2.572 2.155 0.665) 3.421 7.402 ( 0.117 -1.274 2.262) 2.598 7.960 ( -0.659 -2.180 0.722) 2.390 8.015 ( 0.042 -2.977 -0.806) 3.085 8.568 ( -4.491 6.333 -0.556) 7.784 8.624 ( -4.792 5.084 1.657) 7.181 9.148 ( 0.538 -0.034 -0.123) 0.553 9.192 ( 1.514 -0.899 0.741) 1.911 9.231 ( -1.627 -0.655 0.801) 1.928 9.238 ( -0.835 -1.420 -0.635) 1.765 9.317 ( 0.846 -0.668 1.830) 2.124 9.389 ( -2.299 -3.168 -2.229) 4.505 9.648 ( 1.053 2.464 -1.119) 2.904 9.793 ( 4.242 2.071 2.504) 5.344 9.860 ( 0.174 1.025 -0.152) 1.050 9.945 ( 3.924 -3.125 -3.348) 6.031 9.988 ( 4.238 -3.482 1.457) 5.675 10.231 ( 4.418 -7.440 -0.882) 8.698 ======================= Grid point 66 (34/60) ======================= q-point: ( 0.43 0.29 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 6.242 7.409 -3.179) 10.196 1.601 ( 6.486 7.237 -4.909) 10.888 1.716 ( 3.002 4.185 -0.418) 5.168 1.788 ( -1.909 1.404 3.096) 3.899 1.960 ( 0.098 4.552 -3.334) 5.643 2.040 ( 7.502 6.836 6.817) 12.226 2.091 ( -2.661 7.730 3.729) 8.986 2.241 ( -0.873 -5.671 -4.032) 7.013 2.298 ( -3.993 4.198 3.870) 6.967 2.350 ( 0.463 3.437 3.302) 4.789 2.475 ( -0.742 1.854 -1.372) 2.423 2.535 ( 3.646 2.556 -0.943) 4.551 2.588 ( 1.563 1.656 -1.200) 2.573 2.655 ( -1.374 2.404 -2.024) 3.430 2.800 ( -9.984 3.462 -5.080) 11.725 2.859 ( 1.673 1.949 -2.804) 3.803 2.900 ( 0.214 -2.399 -4.020) 4.687 2.960 ( 2.322 -4.806 -1.604) 5.573 3.020 ( 2.859 -6.244 2.086) 7.177 3.090 ( -1.442 -4.456 4.268) 6.337 3.109 ( -2.008 -1.587 -2.689) 3.713 3.135 ( 0.415 -3.471 2.120) 4.089 3.223 ( 4.698 -4.754 -1.284) 6.806 3.290 ( -2.458 -7.804 -2.121) 8.453 3.354 ( 3.410 -8.623 -2.081) 9.504 3.408 ( 2.370 -6.396 -1.134) 6.914 3.434 ( -3.222 -2.109 4.183) 5.686 3.468 ( 3.890 1.407 -3.383) 5.344 3.597 ( -0.426 -6.999 0.948) 7.075 3.648 ( 2.972 -5.097 1.597) 6.113 3.736 ( -2.284 -3.476 -0.591) 4.201 3.794 ( 3.324 -0.666 -3.820) 5.108 3.823 ( -3.088 -3.899 2.682) 5.651 3.886 ( -1.450 0.190 4.284) 4.527 3.920 ( -2.756 -2.877 0.848) 4.074 3.985 ( 1.816 0.442 -1.883) 2.653 4.060 ( 0.543 1.452 -5.846) 6.048 4.115 ( 2.155 -0.263 -0.616) 2.256 4.190 ( 5.456 1.248 1.385) 5.766 4.292 ( -1.130 0.934 -2.660) 3.037 4.294 ( 6.601 2.946 0.861) 7.280 4.340 ( 1.902 1.668 0.167) 2.535 4.390 ( -1.291 -2.796 4.280) 5.272 4.422 ( -0.390 -3.344 -0.435) 3.394 4.513 ( -3.641 -0.022 2.815) 4.602 4.552 ( -0.604 0.560 3.911) 3.997 4.586 ( 0.674 0.908 -4.449) 4.591 4.618 ( -3.989 -4.065 -3.386) 6.626 4.649 ( 1.400 -3.146 1.235) 3.658 4.694 ( -1.240 0.658 -0.888) 1.661 4.737 ( -1.745 0.332 0.067) 1.778 4.770 ( -0.008 2.434 1.708) 2.974 4.795 ( -0.055 3.161 -2.078) 3.783 4.826 ( 2.028 -3.037 2.202) 4.264 4.842 ( -2.943 2.987 -1.054) 4.323 4.901 ( 3.106 0.236 -0.198) 3.121 4.974 ( -1.415 0.934 -0.607) 1.801 4.989 ( 3.102 -0.499 0.715) 3.223 5.062 ( 1.903 2.664 3.409) 4.727 5.168 ( 0.795 2.296 5.784) 6.274 5.226 ( -6.688 0.453 -0.970) 6.773 5.279 ( -1.949 2.011 4.154) 5.010 5.342 ( -0.952 3.711 -1.299) 4.046 5.356 ( 1.509 3.191 -0.088) 3.530 5.458 ( 2.569 -0.551 1.154) 2.869 5.478 ( -5.572 -2.771 -2.696) 6.782 5.579 ( -0.022 -3.356 5.488) 6.433 5.677 ( 5.980 2.013 0.803) 6.361 5.751 ( -5.712 -3.997 -0.385) 6.982 5.791 ( -1.092 -2.252 -0.261) 2.516 5.835 ( -1.559 2.232 -0.744) 2.822 5.865 ( -2.334 -0.899 1.934) 3.162 6.010 ( -3.747 2.899 3.335) 5.794 6.105 ( -3.439 1.533 -3.284) 4.996 6.140 ( 1.851 4.956 -0.832) 5.356 6.269 ( 1.249 4.704 -2.138) 5.316 6.391 ( -0.948 -1.128 1.927) 2.426 6.475 ( 5.266 -1.209 -4.655) 7.132 6.551 ( 3.562 0.381 -1.827) 4.022 6.627 ( -2.912 -0.045 -0.040) 2.913 6.655 ( -1.721 -0.125 1.265) 2.140 6.728 ( 2.041 2.108 -2.780) 4.042 6.751 ( -0.135 1.510 -0.634) 1.643 6.833 ( -1.020 4.683 -0.806) 4.860 6.872 ( -0.746 -1.737 -1.810) 2.617 6.920 ( 0.665 -2.226 2.267) 3.246 6.956 ( -1.987 0.395 0.213) 2.037 6.998 ( 0.769 2.746 0.642) 2.923 7.102 ( 0.884 -2.327 -1.373) 2.843 7.130 ( -1.919 -0.618 -2.255) 3.025 7.339 ( 1.883 0.640 1.641) 2.579 7.403 ( -1.884 -0.744 1.409) 2.467 7.962 ( -0.346 -1.950 1.075) 2.253 8.009 ( 0.176 -2.568 -0.610) 2.645 8.515 ( -0.835 5.574 -0.143) 5.638 8.555 ( -3.688 5.060 0.427) 6.276 9.164 ( 0.627 0.382 0.944) 1.196 9.209 ( -1.527 -1.036 1.310) 2.263 9.221 ( -0.327 -1.453 -0.621) 1.614 9.235 ( 1.878 -1.057 0.392) 2.190 9.338 ( -0.653 -2.344 0.974) 2.621 9.353 ( 0.664 -0.937 -1.534) 1.916 9.667 ( 1.104 3.181 1.108) 3.545 9.832 ( -0.166 3.625 -1.873) 4.084 9.860 ( 0.253 -0.056 0.476) 0.542 9.979 ( 2.099 -3.925 -2.245) 4.985 10.079 ( 1.963 -4.738 3.756) 6.356 10.264 ( 1.602 -6.904 -1.983) 7.359 ======================= Grid point 67 (35/60) ======================= q-point: (-0.43 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -8.446 8.278 -2.745) 12.140 1.560 ( -0.424 10.466 -4.173) 11.275 1.666 ( -9.869 4.200 -0.252) 10.728 1.866 ( 5.425 3.185 3.602) 7.249 1.989 ( -0.677 3.574 -4.710) 5.951 2.029 ( 1.703 0.137 2.692) 3.188 2.152 ( -5.382 5.983 4.472) 9.207 2.260 ( 2.857 3.300 6.981) 8.233 2.330 ( -0.841 2.584 -1.256) 2.994 2.404 ( 2.214 4.324 1.345) 5.041 2.438 ( -4.057 1.188 0.106) 4.229 2.481 ( -0.139 -0.270 -2.400) 2.420 2.592 ( -2.334 -2.973 2.188) 4.367 2.609 ( 6.626 6.491 -7.989) 12.242 2.671 ( -0.070 4.323 1.054) 4.450 2.836 ( -2.977 -2.378 -5.455) 6.654 2.852 ( 4.197 -1.351 -3.303) 5.509 2.957 ( -6.185 2.120 -4.879) 8.158 3.016 ( 0.654 -6.671 1.340) 6.835 3.081 ( 2.985 -4.655 -0.152) 5.532 3.172 ( -0.671 -4.484 1.360) 4.733 3.182 ( 0.513 -8.025 0.278) 8.047 3.255 ( 1.504 -5.988 1.636) 6.387 3.293 ( -1.014 -5.628 0.760) 5.769 3.323 ( -3.451 -2.976 -0.008) 4.557 3.413 ( 1.847 -7.326 -3.531) 8.340 3.457 ( 0.542 -4.225 1.112) 4.402 3.485 ( 1.241 -0.315 0.629) 1.427 3.549 ( -2.069 -8.085 -0.437) 8.357 3.689 ( -3.583 -1.543 -0.801) 3.982 3.714 ( 2.457 -3.703 -2.000) 4.873 3.783 ( -1.722 -2.024 2.055) 3.359 3.822 ( -3.173 -1.282 2.387) 4.173 3.865 ( -2.950 -2.344 -1.762) 4.159 3.889 ( 2.943 -0.219 -3.060) 4.251 3.985 ( -3.225 -1.927 2.132) 4.320 4.028 ( 1.182 -0.659 0.904) 1.628 4.109 ( 0.752 -2.440 -0.081) 2.554 4.240 ( 2.283 4.812 -4.870) 7.217 4.265 ( 4.905 3.548 -1.234) 6.178 4.352 ( -4.015 3.032 2.300) 5.531 4.375 ( -4.941 -3.413 0.384) 6.018 4.387 ( -2.090 1.920 0.625) 2.906 4.448 ( -1.145 0.452 -0.268) 1.259 4.499 ( 6.519 -2.843 -0.122) 7.113 4.512 ( 0.380 -1.681 3.889) 4.254 4.578 ( 1.295 -3.516 -1.154) 3.921 4.609 ( -3.620 2.298 1.343) 4.493 4.644 ( -3.138 1.056 -0.719) 3.388 4.671 ( 2.679 2.563 0.639) 3.762 4.678 ( 0.639 -0.172 -1.461) 1.604 4.748 ( -2.926 -3.098 -2.380) 4.881 4.814 ( 0.280 0.619 1.799) 1.923 4.836 ( 2.436 2.289 0.629) 3.401 4.867 ( 4.980 -0.761 -0.132) 5.040 4.922 ( 2.578 -0.736 -1.842) 3.253 4.970 ( -5.229 -0.031 5.078) 7.288 5.081 ( 1.957 1.915 -1.559) 3.151 5.099 ( -3.022 -0.852 3.910) 5.015 5.167 ( -1.113 1.643 2.146) 2.923 5.230 ( -2.249 -1.811 -0.014) 2.888 5.281 ( 0.742 2.692 2.814) 3.964 5.353 ( -2.954 3.156 -1.954) 4.744 5.365 ( 2.042 3.371 -2.096) 4.464 5.478 ( 7.824 3.139 8.325) 11.848 5.504 ( 2.596 -1.030 1.740) 3.290 5.591 ( -5.341 0.391 -3.425) 6.357 5.679 ( 4.682 -1.020 1.313) 4.969 5.772 ( -3.710 2.829 0.177) 4.669 5.783 ( 0.838 -2.081 -0.650) 2.336 5.825 ( 1.418 -1.275 -0.095) 1.909 5.867 ( 6.515 -4.120 0.308) 7.715 6.009 ( -1.970 3.101 1.997) 4.181 6.050 ( 3.653 2.814 3.349) 5.699 6.188 ( 0.487 1.842 -1.644) 2.516 6.238 ( 2.088 2.581 -4.853) 5.880 6.356 ( -3.856 -0.668 1.320) 4.130 6.480 ( 0.414 -1.372 -3.648) 3.919 6.517 ( -7.844 2.645 -2.291) 8.590 6.585 ( -3.736 0.927 0.465) 3.877 6.668 ( 6.339 -0.025 1.650) 6.550 6.736 ( 2.063 -0.389 -5.274) 5.676 6.772 ( 1.369 3.279 -0.353) 3.571 6.805 ( -0.353 4.451 -1.669) 4.767 6.869 ( 0.077 -0.398 2.046) 2.086 6.939 ( 1.828 -0.662 0.673) 2.058 6.987 ( 1.418 -2.176 2.463) 3.579 7.038 ( 0.840 0.395 1.717) 1.952 7.064 ( -0.865 -0.546 -2.977) 3.148 7.075 ( 0.090 -0.917 -3.743) 3.854 7.357 ( -2.761 0.689 1.590) 3.260 7.404 ( 1.306 -0.941 1.187) 2.000 7.968 ( -0.371 -2.038 1.158) 2.373 8.010 ( 0.749 -2.387 -0.688) 2.595 8.522 ( 0.353 5.742 -0.192) 5.756 8.538 ( 3.080 5.320 0.484) 6.166 9.179 ( -0.675 0.205 1.183) 1.377 9.199 ( -1.182 -1.015 0.789) 1.746 9.212 ( -0.030 -0.188 0.046) 0.196 9.265 ( 0.944 -1.338 -0.052) 1.638 9.306 ( -2.580 -1.618 -0.100) 3.047 9.379 ( 2.649 -2.734 -0.446) 3.833 9.710 ( 0.987 3.587 3.112) 4.850 9.768 ( -2.691 4.289 -3.461) 6.134 9.881 ( -0.036 -0.368 1.613) 1.655 9.953 ( -1.090 -3.321 -3.438) 4.903 10.123 ( -2.047 -5.301 4.519) 7.260 10.249 ( -0.705 -7.822 -3.055) 8.427 ======================= Grid point 68 (36/60) ======================= q-point: (-0.29 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -10.893 14.157 1.283) 17.909 1.366 ( -11.761 18.350 -3.210) 22.030 1.617 ( -5.272 4.407 0.814) 6.920 1.816 ( -0.221 0.683 2.112) 2.231 1.941 ( -8.382 6.640 2.707) 11.031 2.095 ( -1.911 4.194 -0.468) 4.633 2.166 ( 0.401 -4.510 3.840) 5.937 2.231 ( 0.744 -0.041 -7.726) 7.762 2.360 ( -1.408 2.361 0.213) 2.757 2.388 ( 2.757 -0.595 -1.167) 3.052 2.419 ( -6.251 5.328 1.066) 8.282 2.495 ( 3.441 0.125 -3.802) 5.130 2.536 ( -4.534 1.471 -1.894) 5.129 2.614 ( -0.738 -0.717 6.828) 6.905 2.738 ( 5.454 7.856 -1.854) 9.742 2.774 ( -3.196 7.576 2.101) 8.487 2.843 ( 2.164 -1.084 1.866) 3.056 2.939 ( 1.481 -4.236 -4.158) 6.117 2.999 ( 2.979 -6.297 -1.947) 7.233 3.083 ( -1.658 -5.557 -1.084) 5.900 3.149 ( -1.921 -6.316 -1.960) 6.887 3.200 ( 2.345 -4.647 1.107) 5.322 3.219 ( -2.309 -1.920 3.260) 4.433 3.231 ( -2.510 -2.490 1.142) 3.715 3.359 ( 3.261 -3.288 -0.211) 4.636 3.417 ( 1.557 -6.056 -1.175) 6.362 3.443 ( -1.709 -3.472 -2.364) 4.534 3.516 ( 3.323 -4.166 1.655) 5.580 3.589 ( 2.166 -5.128 0.474) 5.587 3.624 ( -5.210 -4.984 -2.074) 7.503 3.712 ( 0.401 -4.140 -4.050) 5.806 3.715 ( -0.679 -3.733 -0.155) 3.797 3.783 ( -3.251 -4.954 4.572) 7.484 3.863 ( 1.245 -1.848 1.461) 2.664 3.929 ( 1.421 -2.530 1.160) 3.126 3.938 ( -3.217 -1.251 -0.152) 3.455 4.056 ( 0.714 -1.554 -1.457) 2.246 4.134 ( -3.377 -1.232 -2.220) 4.225 4.162 ( -0.871 -4.278 4.862) 6.534 4.281 ( -5.939 2.322 0.436) 6.392 4.303 ( -1.965 -1.981 -2.262) 3.592 4.326 ( 2.022 1.780 -2.398) 3.606 4.393 ( 0.759 3.904 -3.869) 5.548 4.428 ( 0.367 1.246 0.546) 1.409 4.485 ( -3.764 2.922 0.907) 4.851 4.540 ( -2.567 -0.098 -1.334) 2.895 4.575 ( -0.041 -2.389 0.252) 2.402 4.620 ( -0.697 -1.680 -1.714) 2.499 4.649 ( 0.887 0.432 4.107) 4.224 4.681 ( -0.299 1.946 3.036) 3.619 4.714 ( -1.068 1.438 5.645) 5.923 4.732 ( 1.998 2.382 -1.797) 3.591 4.841 ( -1.382 -1.756 0.817) 2.379 4.862 ( 0.983 -0.152 0.784) 1.266 4.909 ( -0.581 1.858 1.020) 2.198 4.937 ( 2.083 -2.011 -1.160) 3.119 4.976 ( -0.772 -1.696 -0.462) 1.920 5.050 ( 5.255 -0.406 -3.761) 6.475 5.088 ( 1.911 -5.667 -2.110) 6.342 5.157 ( -4.790 -0.920 4.581) 6.691 5.238 ( 1.770 4.624 -3.916) 6.313 5.278 ( 2.665 3.823 0.049) 4.660 5.343 ( 1.656 -0.166 -0.562) 1.757 5.374 ( 1.283 2.352 1.047) 2.877 5.492 ( 1.766 4.613 -1.996) 5.328 5.536 ( -0.741 -0.529 0.161) 0.925 5.600 ( -4.394 0.671 0.904) 4.536 5.736 ( -0.236 -0.350 1.166) 1.240 5.815 ( 3.813 2.122 -2.821) 5.196 5.844 ( 4.586 1.247 5.358) 7.162 5.889 ( 3.234 -2.237 2.552) 4.688 5.939 ( 1.723 -3.512 -1.759) 4.289 6.060 ( 4.264 5.878 5.707) 9.236 6.165 ( 3.281 0.100 -3.704) 4.949 6.195 ( 5.888 1.138 1.739) 6.244 6.237 ( 1.384 3.107 -3.045) 4.565 6.285 ( -5.595 1.594 -1.010) 5.905 6.369 ( -2.848 -1.646 3.681) 4.937 6.447 ( -0.225 2.238 -3.321) 4.011 6.548 ( -1.561 0.639 1.438) 2.217 6.690 ( -0.748 -0.353 -2.421) 2.559 6.737 ( 0.514 0.175 -3.160) 3.206 6.788 ( 1.051 1.230 0.268) 1.640 6.835 ( 3.285 2.465 1.376) 4.331 6.890 ( 0.677 0.509 0.506) 0.987 6.946 ( -1.220 1.465 0.272) 1.926 6.974 ( -0.522 -0.814 -4.125) 4.237 7.032 ( -0.295 -1.241 -0.307) 1.312 7.080 ( 1.673 -0.847 1.048) 2.148 7.117 ( 4.215 0.139 0.536) 4.251 7.313 ( -3.268 2.307 0.593) 4.043 7.437 ( 0.360 -2.427 1.710) 2.990 7.974 ( -0.239 -2.356 0.931) 2.544 8.018 ( 1.043 -2.487 -1.048) 2.893 8.562 ( 3.975 6.889 -0.385) 7.963 8.630 ( 5.651 5.322 1.546) 7.916 9.164 ( -1.345 0.273 -0.444) 1.443 9.176 ( -1.884 -0.266 0.534) 1.976 9.227 ( 0.787 0.223 1.092) 1.365 9.263 ( -0.970 -0.755 0.225) 1.249 9.279 ( 0.674 -0.185 0.214) 0.731 9.413 ( 1.798 -4.953 -1.197) 5.404 9.675 ( -3.501 3.989 -1.960) 5.658 9.772 ( 1.134 2.957 3.059) 4.403 9.869 ( -2.208 -1.623 -0.069) 2.741 9.895 ( -1.684 -0.853 -1.420) 2.362 10.108 ( -4.936 -6.750 1.049) 8.428 10.153 ( -5.600 -7.579 -2.311) 9.703 ======================= Grid point 69 (37/60) ======================= q-point: (-0.14 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -10.119 19.074 2.446) 21.730 1.186 ( -5.258 24.569 0.246) 25.126 1.500 ( -3.713 3.139 -2.520) 5.477 1.747 ( -9.468 3.797 1.040) 10.254 1.861 ( -16.890 19.438 3.993) 26.059 1.981 ( 4.431 -1.928 1.809) 5.160 2.144 ( -0.119 -2.124 -7.182) 7.490 2.192 ( 0.661 1.798 -3.560) 4.043 2.308 ( 2.106 -0.421 -0.226) 2.160 2.373 ( -3.449 -0.009 0.432) 3.476 2.441 ( -1.580 -5.862 4.610) 7.623 2.491 ( 1.040 -2.144 1.521) 2.827 2.551 ( 6.561 -0.964 -2.920) 7.246 2.673 ( 2.670 2.891 -0.066) 3.935 2.741 ( -2.473 1.780 1.857) 3.569 2.789 ( 2.059 4.952 -4.065) 6.730 2.887 ( -0.717 -4.252 -0.257) 4.319 2.950 ( 1.352 -3.115 10.157) 10.709 3.006 ( -2.220 -1.178 0.678) 2.603 3.109 ( 2.711 -1.794 -0.798) 3.347 3.151 ( 1.976 -4.433 -1.341) 5.036 3.204 ( -1.735 -5.027 0.557) 5.347 3.216 ( -0.486 -4.157 1.657) 4.501 3.303 ( 5.213 -3.023 -2.428) 6.497 3.348 ( -2.260 0.983 1.097) 2.698 3.395 ( -0.493 -8.776 1.350) 8.893 3.480 ( 3.367 -2.368 1.248) 4.302 3.515 ( -0.593 -1.812 -2.380) 3.050 3.584 ( 0.972 -4.673 -0.026) 4.773 3.627 ( 3.430 -1.251 -0.184) 3.656 3.706 ( -2.382 -3.669 -3.961) 5.901 3.720 ( -1.488 -4.365 2.820) 5.406 3.780 ( 1.259 -4.386 3.508) 5.755 3.849 ( -2.551 -6.335 -0.087) 6.829 3.880 ( -1.082 -2.220 -1.343) 2.811 3.964 ( -0.186 -1.961 1.588) 2.531 4.051 ( 0.043 -4.543 -0.647) 4.589 4.065 ( 0.832 -1.926 -3.387) 3.984 4.179 ( -3.917 1.368 -0.915) 4.248 4.212 ( -1.572 -5.878 1.746) 6.330 4.218 ( -4.341 -1.018 -0.479) 4.484 4.233 ( -6.730 2.672 -7.297) 10.280 4.375 ( 0.580 4.509 1.304) 4.730 4.420 ( 0.930 0.141 -1.595) 1.852 4.432 ( -0.561 3.621 -1.748) 4.060 4.515 ( -4.603 1.436 -1.551) 5.065 4.551 ( -0.875 -2.292 2.383) 3.420 4.580 ( -1.381 3.321 3.959) 5.349 4.623 ( 2.344 0.075 -3.696) 4.377 4.698 ( -0.649 0.097 -0.086) 0.662 4.726 ( -2.923 3.001 5.794) 7.150 4.791 ( 0.429 1.078 2.244) 2.527 4.858 ( -0.152 -0.203 -2.138) 2.153 4.892 ( 1.991 -1.186 -2.876) 3.694 4.932 ( 2.420 0.763 1.029) 2.738 4.967 ( 1.638 -7.521 1.061) 7.770 4.988 ( 1.198 0.310 3.835) 4.030 5.050 ( -0.146 -3.182 -2.071) 3.799 5.107 ( -0.033 -0.447 -0.546) 0.707 5.173 ( 2.183 -0.150 4.627) 5.119 5.212 ( 2.533 -1.559 -9.745) 10.189 5.334 ( 2.287 0.254 0.766) 2.425 5.375 ( 1.428 0.935 -0.605) 1.811 5.432 ( 2.529 0.664 1.592) 3.061 5.462 ( -3.824 5.137 -0.353) 6.413 5.567 ( 8.274 4.248 -1.710) 9.457 5.611 ( -2.032 -2.471 2.768) 4.231 5.683 ( -1.954 2.385 -3.663) 4.788 5.772 ( -5.343 3.032 -0.685) 6.182 5.863 ( -0.691 0.719 -1.836) 2.089 5.897 ( -4.178 -3.916 2.008) 6.068 5.979 ( 4.037 -1.394 -1.688) 4.593 6.119 ( -4.424 0.896 3.420) 5.663 6.189 ( 4.400 0.063 -3.661) 5.724 6.230 ( 1.471 3.333 -0.933) 3.761 6.326 ( 8.014 4.339 3.517) 9.768 6.371 ( 6.018 2.785 1.540) 6.807 6.404 ( -1.014 1.411 5.394) 5.667 6.428 ( 1.963 1.843 -1.964) 3.333 6.568 ( 2.074 -0.103 2.899) 3.566 6.656 ( -2.121 -1.004 0.124) 2.349 6.697 ( -0.031 2.056 -2.330) 3.108 6.810 ( 0.274 -1.567 0.240) 1.609 6.852 ( -1.031 -0.562 -0.315) 1.216 6.898 ( 0.450 2.712 -0.715) 2.840 6.923 ( -0.402 0.671 0.635) 1.007 6.976 ( 0.488 -1.254 0.533) 1.447 7.058 ( 3.700 -0.535 -0.378) 3.757 7.080 ( -1.146 2.374 -0.696) 2.727 7.179 ( 2.022 0.594 -0.251) 2.122 7.259 ( -2.795 2.991 -0.032) 4.093 7.449 ( -0.872 -3.938 0.242) 4.040 7.980 ( -0.215 -2.710 0.826) 2.841 8.023 ( 1.170 -2.877 -1.561) 3.476 8.629 ( 3.195 7.265 0.131) 7.938 8.745 ( 4.783 3.243 -0.209) 5.783 9.139 ( -0.262 0.508 -0.380) 0.686 9.152 ( -1.450 0.113 0.485) 1.533 9.233 ( -1.307 0.581 1.364) 1.976 9.286 ( 3.229 0.710 -0.595) 3.359 9.357 ( 5.672 -0.171 2.387) 6.157 9.433 ( 3.981 -3.344 0.041) 5.199 9.606 ( -2.975 1.416 -0.096) 3.297 9.772 ( -4.828 0.343 -3.064) 5.729 9.817 ( -4.393 -1.973 -1.324) 4.994 9.867 ( -4.657 -1.387 -0.777) 4.921 9.901 ( -4.525 -3.272 0.016) 5.585 10.092 ( -4.711 -4.297 2.327) 6.788 ======================= Grid point 70 (38/60) ======================= q-point: ( 0.00 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -1.815 11.720 -1.660) 11.975 1.423 ( 0.342 4.516 -3.783) 5.901 1.600 ( 1.378 8.742 0.634) 8.872 1.733 ( -1.581 3.244 -4.528) 5.790 1.886 ( 3.694 1.717 2.866) 4.980 2.013 ( -5.206 1.452 -1.630) 5.645 2.067 ( -0.138 -5.571 -0.674) 5.614 2.111 ( -1.592 -8.335 -1.708) 8.656 2.286 ( 1.917 5.616 5.877) 8.352 2.374 ( 1.242 -2.696 3.855) 4.866 2.453 ( 2.759 1.517 7.096) 7.763 2.526 ( 3.260 -4.826 1.554) 6.028 2.670 ( 1.262 4.961 3.149) 6.010 2.736 ( -5.121 1.595 -2.112) 5.765 2.778 ( 3.344 1.131 1.407) 3.800 2.812 ( -1.341 3.707 -0.741) 4.011 2.892 ( -3.695 -4.010 -6.089) 8.174 2.910 ( -0.335 -0.579 -1.532) 1.672 2.944 ( 2.668 2.650 -3.796) 5.343 3.028 ( 2.192 -3.018 -1.978) 4.222 3.088 ( -3.198 2.087 3.387) 5.104 3.129 ( -0.841 -2.235 -0.976) 2.580 3.145 ( 1.234 -4.414 0.893) 4.669 3.207 ( -2.056 -5.228 2.624) 6.201 3.331 ( 0.290 2.686 -3.294) 4.260 3.407 ( 2.847 -2.815 -4.960) 6.374 3.519 ( -1.795 3.175 5.366) 6.488 3.545 ( -0.722 -0.233 1.257) 1.469 3.581 ( -5.620 0.143 -0.928) 5.697 3.595 ( 2.586 0.408 -0.286) 2.633 3.644 ( 0.624 -2.722 8.317) 8.773 3.711 ( 1.126 -5.224 4.777) 7.168 3.746 ( 1.981 0.053 1.909) 2.751 3.774 ( -3.205 -2.204 1.954) 4.353 3.781 ( 3.239 0.412 0.500) 3.303 3.881 ( -3.102 -5.126 0.381) 6.004 3.971 ( 2.540 -2.020 -0.839) 3.351 3.983 ( 3.182 -3.176 2.033) 4.934 4.096 ( -1.730 -0.838 -1.858) 2.673 4.099 ( -2.535 -1.014 -0.310) 2.748 4.187 ( 1.557 3.959 -3.143) 5.290 4.232 ( 0.507 -0.380 -0.832) 1.046 4.371 ( -2.719 1.746 -4.404) 5.462 4.413 ( -0.800 -1.119 -4.265) 4.481 4.525 ( 1.127 1.851 1.090) 2.426 4.534 ( 1.281 3.954 -0.184) 4.160 4.558 ( 0.502 4.561 -1.082) 4.715 4.587 ( -0.972 -3.332 0.298) 3.483 4.651 ( 0.983 -4.129 1.269) 4.430 4.671 ( 2.751 0.922 -1.853) 3.442 4.741 ( -0.757 -2.425 -3.407) 4.250 4.751 ( -2.066 -5.386 0.473) 5.788 4.807 ( 1.639 3.014 -4.486) 5.647 4.860 ( 2.398 -1.959 -1.190) 3.318 4.905 ( 1.825 -0.879 -0.484) 2.083 4.923 ( 1.965 -2.409 -1.715) 3.550 5.009 ( -4.090 0.809 3.413) 5.388 5.049 ( -2.244 -2.639 -0.958) 3.594 5.131 ( -0.569 3.647 -4.857) 6.100 5.157 ( 2.386 1.582 -1.872) 3.420 5.229 ( 0.787 0.296 3.925) 4.014 5.300 ( -0.879 -4.869 3.254) 5.922 5.416 ( 1.047 1.319 -1.640) 2.351 5.436 ( 1.104 -1.007 -0.952) 1.772 5.516 ( -3.099 1.755 -0.223) 3.568 5.529 ( -3.025 0.769 2.894) 4.256 5.681 ( -3.000 5.393 1.012) 6.254 5.747 ( -1.345 3.242 0.836) 3.608 5.768 ( 1.750 -0.581 -1.358) 2.291 5.820 ( -1.861 -2.493 3.496) 4.680 5.838 ( 3.601 0.881 -2.535) 4.491 5.919 ( 2.419 -5.098 -0.361) 5.654 6.167 ( -0.348 3.672 0.592) 3.736 6.211 ( 1.172 -0.905 -1.160) 1.881 6.318 ( -0.279 3.828 0.966) 3.958 6.387 ( -1.188 -2.329 0.299) 2.631 6.442 ( -1.396 1.610 -0.572) 2.207 6.461 ( -3.052 1.030 -1.576) 3.586 6.541 ( 0.023 1.910 1.734) 2.579 6.581 ( 1.655 -2.402 0.967) 3.073 6.707 ( 2.086 3.191 3.419) 5.121 6.756 ( 1.226 2.277 2.235) 3.418 6.782 ( 1.672 -2.643 2.454) 3.975 6.816 ( -1.350 -2.589 1.701) 3.380 6.925 ( -0.817 1.819 0.745) 2.129 6.949 ( -0.639 0.372 0.533) 0.912 6.978 ( 1.486 1.677 -1.372) 2.627 7.038 ( 1.308 -3.347 -3.098) 4.744 7.161 ( -0.034 3.452 0.462) 3.483 7.198 ( -0.148 -0.240 -0.490) 0.566 7.277 ( -0.548 2.114 -0.195) 2.193 7.330 ( -1.295 -3.074 -1.768) 3.775 7.957 ( -0.309 0.148 0.136) 0.368 7.977 ( 0.373 -1.769 -0.666) 1.927 8.760 ( 0.219 2.513 0.377) 2.551 8.784 ( -0.317 -0.136 -0.594) 0.686 9.149 ( -0.107 0.604 0.102) 0.621 9.158 ( 0.710 -0.084 -0.239) 0.754 9.259 ( 0.397 2.133 0.237) 2.182 9.305 ( 0.392 -1.840 -2.236) 2.922 9.404 ( -1.130 1.553 0.382) 1.958 9.445 ( -6.368 -1.829 -2.869) 7.220 9.582 ( 0.156 0.696 -0.056) 0.716 9.600 ( 5.229 -1.295 -0.440) 5.405 9.815 ( 2.144 0.062 3.307) 3.942 9.826 ( 2.368 -1.421 4.292) 5.104 9.914 ( -1.114 1.368 -1.290) 2.185 9.955 ( -2.496 -2.661 -1.536) 3.958 ======================= Grid point 71 (39/60) ======================= q-point: ( 0.14 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 6.680 12.467 0.529) 14.154 1.522 ( 12.037 2.534 -0.112) 12.301 1.692 ( 4.099 5.822 -3.270) 7.836 1.742 ( 10.542 4.009 -0.322) 11.283 1.946 ( -1.684 2.888 -2.373) 4.100 1.960 ( 0.461 7.592 6.015) 9.697 2.085 ( 4.298 -6.845 -0.196) 8.085 2.121 ( 3.963 -5.711 -1.768) 7.172 2.338 ( -3.544 2.503 2.571) 5.043 2.392 ( -5.298 -3.096 -0.178) 6.139 2.448 ( -3.348 -0.867 -0.600) 3.511 2.501 ( -5.873 -5.824 -2.192) 8.556 2.651 ( -1.582 1.325 4.111) 4.600 2.712 ( 0.738 -2.582 -3.316) 4.267 2.789 ( 0.192 6.036 -0.434) 6.054 2.852 ( 2.561 0.224 6.363) 6.862 2.871 ( 0.416 3.818 0.596) 3.887 2.919 ( 3.458 -1.567 -2.214) 4.395 2.971 ( 7.090 -0.711 -2.478) 7.544 3.049 ( 2.026 -3.072 -2.485) 4.441 3.102 ( -1.987 -1.735 -0.664) 2.721 3.109 ( -0.328 -2.494 -0.060) 2.516 3.169 ( 1.082 1.218 4.354) 4.649 3.224 ( 2.107 -3.088 1.944) 4.214 3.327 ( 0.007 3.355 -0.806) 3.450 3.397 ( 2.122 -1.204 -5.091) 5.646 3.426 ( -9.005 -0.394 1.910) 9.214 3.475 ( -3.900 -2.708 2.012) 5.157 3.575 ( -1.743 4.043 3.251) 5.473 3.636 ( 1.362 -1.501 0.283) 2.046 3.675 ( -3.134 -1.554 -3.166) 4.718 3.682 ( -1.731 -3.917 -0.348) 4.297 3.786 ( -2.274 -2.074 7.709) 8.300 3.794 ( 1.064 -2.341 4.368) 5.068 3.888 ( 4.586 0.302 3.603) 5.839 3.916 ( 0.664 -1.299 4.155) 4.404 3.960 ( 2.770 0.819 -5.123) 5.881 3.999 ( -0.224 -1.904 -1.016) 2.170 4.138 ( 4.571 1.912 0.400) 4.971 4.175 ( 6.684 -2.249 1.963) 7.320 4.200 ( 1.906 1.835 -9.955) 10.301 4.238 ( 6.355 -1.726 -4.847) 8.177 4.323 ( 1.533 -0.257 2.091) 2.605 4.363 ( 0.653 -4.089 1.007) 4.262 4.511 ( -1.235 3.939 -2.107) 4.634 4.530 ( -0.101 5.255 -2.020) 5.631 4.579 ( -0.587 -0.310 2.556) 2.641 4.602 ( 0.207 -2.815 0.747) 2.920 4.663 ( -2.681 -1.449 -0.838) 3.161 4.676 ( -0.009 -5.027 -3.218) 5.969 4.701 ( 0.184 2.047 1.652) 2.637 4.725 ( 1.392 -0.851 -0.980) 1.904 4.792 ( 1.421 0.323 -1.633) 2.188 4.851 ( -2.461 -4.221 -6.420) 8.067 4.878 ( -1.515 -0.806 -0.982) 1.978 4.908 ( -0.153 -2.588 -3.005) 3.969 4.981 ( -3.220 1.591 3.710) 5.163 4.998 ( -1.907 -1.001 2.225) 3.097 5.109 ( 2.052 2.679 -2.624) 4.274 5.176 ( 2.061 -2.866 -2.483) 4.316 5.298 ( 0.576 -0.627 4.918) 4.992 5.319 ( -2.076 -1.827 4.797) 5.537 5.377 ( 0.371 2.974 -4.878) 5.725 5.433 ( -0.167 -2.551 -1.279) 2.859 5.505 ( -0.788 4.311 4.108) 6.007 5.545 ( 0.158 0.271 3.769) 3.782 5.637 ( -3.504 4.234 0.195) 5.499 5.688 ( -3.600 -0.251 -1.977) 4.115 5.783 ( 3.425 2.242 -3.809) 5.592 5.839 ( 0.407 -1.807 0.742) 1.996 5.899 ( 2.520 3.237 -0.286) 4.113 5.967 ( 1.081 -3.127 0.529) 3.351 6.144 ( -3.311 2.772 -1.497) 4.570 6.197 ( -1.470 -1.559 -0.113) 2.145 6.274 ( -5.375 2.977 0.531) 6.167 6.316 ( -2.795 0.707 1.346) 3.182 6.393 ( -4.313 0.129 1.086) 4.450 6.407 ( -2.842 -2.382 3.005) 4.773 6.547 ( -0.414 3.192 0.535) 3.263 6.618 ( 2.026 -2.978 0.134) 3.605 6.729 ( -1.227 4.278 0.480) 4.476 6.787 ( -1.423 -0.860 -0.764) 1.830 6.819 ( 1.937 0.173 0.369) 1.980 6.827 ( -0.617 -0.583 1.181) 1.454 6.932 ( -0.030 0.501 -1.173) 1.276 6.951 ( -1.281 -1.186 0.239) 1.762 6.977 ( 1.395 1.543 0.546) 2.150 7.008 ( 0.513 -1.325 -1.649) 2.176 7.140 ( -3.059 2.431 0.161) 3.911 7.179 ( -1.865 -1.307 0.352) 2.304 7.295 ( 1.798 1.683 0.097) 2.465 7.326 ( 2.440 -1.407 -0.237) 2.826 7.951 ( -0.450 0.396 0.165) 0.621 7.975 ( 0.153 -1.833 -0.569) 1.925 8.742 ( -3.025 1.728 -0.244) 3.492 8.746 ( -3.294 1.409 0.139) 3.586 9.149 ( 0.068 0.650 -0.317) 0.726 9.164 ( 0.261 -0.687 -0.224) 0.769 9.261 ( -2.473 0.584 -0.936) 2.708 9.271 ( -1.482 -0.353 -0.624) 1.646 9.300 ( -3.508 1.905 1.811) 4.383 9.354 ( -2.734 -3.728 0.708) 4.677 9.677 ( 6.910 2.742 -0.726) 7.469 9.705 ( 6.252 -0.064 -1.311) 6.389 9.869 ( -0.797 -0.928 -2.101) 2.431 9.878 ( 0.079 -1.593 -0.106) 1.599 9.909 ( 2.796 1.791 0.669) 3.387 9.979 ( 6.047 -4.843 2.710) 8.208 ======================= Grid point 72 (40/60) ======================= q-point: ( 0.29 0.43 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 8.164 10.607 1.875) 13.516 1.715 ( 3.694 -1.495 2.357) 4.630 1.764 ( 9.901 9.153 -6.613) 15.018 1.868 ( -1.189 9.107 -3.770) 9.928 1.933 ( 8.706 -2.992 -3.261) 9.766 2.061 ( 2.765 10.170 7.301) 12.821 2.139 ( -0.853 -12.269 -1.359) 12.374 2.226 ( 5.518 -2.225 2.308) 6.382 2.260 ( -2.010 5.373 4.847) 7.510 2.367 ( -3.403 -3.399 -0.687) 4.859 2.386 ( 6.174 1.979 1.680) 6.697 2.460 ( 3.346 -4.186 1.232) 5.499 2.652 ( -1.520 4.265 -1.796) 4.871 2.731 ( 4.702 1.666 -1.750) 5.287 2.789 ( -2.191 -1.327 2.362) 3.484 2.830 ( -1.923 -4.685 -2.715) 5.746 2.884 ( -0.367 1.269 2.551) 2.873 2.950 ( -2.075 -2.342 -3.829) 4.945 2.980 ( 0.633 -2.962 -0.712) 3.111 3.037 ( 2.868 -3.415 -6.437) 7.831 3.120 ( -0.009 0.628 -0.791) 1.011 3.163 ( 1.047 -1.685 0.726) 2.113 3.196 ( -1.068 -0.272 -0.004) 1.102 3.245 ( -4.439 -2.052 0.515) 4.918 3.266 ( -7.549 -0.135 -0.065) 7.551 3.282 ( -5.449 -1.309 3.341) 6.524 3.407 ( 3.884 0.696 -0.024) 3.946 3.451 ( -1.366 -3.481 -1.707) 4.111 3.552 ( -0.657 2.198 -1.622) 2.810 3.574 ( -0.304 -0.520 -3.777) 3.825 3.690 ( 0.570 -3.139 4.744) 5.717 3.692 ( 0.231 -2.849 2.345) 3.697 3.844 ( 0.079 1.019 5.618) 5.710 3.873 ( 1.765 0.187 -0.066) 1.776 3.907 ( -0.979 0.618 0.131) 1.165 3.962 ( 3.691 -1.101 1.056) 3.994 3.985 ( 2.567 1.902 0.078) 3.195 4.044 ( 4.072 -2.639 -0.207) 4.857 4.143 ( 3.611 1.932 -5.587) 6.927 4.201 ( 6.219 -1.771 -7.249) 9.714 4.282 ( 3.884 1.959 1.216) 4.517 4.314 ( 0.757 -1.493 -0.943) 1.922 4.391 ( 4.178 1.748 1.995) 4.949 4.456 ( 0.934 -2.564 1.733) 3.233 4.492 ( -2.276 3.243 -1.441) 4.216 4.533 ( 7.674 -1.762 2.887) 8.386 4.577 ( -0.617 -0.355 3.102) 3.182 4.579 ( -1.502 -1.696 -1.705) 2.835 4.614 ( -2.074 -0.968 1.439) 2.703 4.639 ( -1.163 -3.558 -0.810) 3.830 4.724 ( 0.359 1.798 0.120) 1.837 4.765 ( 1.164 0.244 -0.834) 1.453 4.777 ( 2.570 0.137 -1.065) 2.786 4.806 ( 2.304 -3.779 -2.543) 5.104 4.869 ( 0.598 -0.706 -0.947) 1.324 4.871 ( 0.739 -0.560 0.219) 0.953 4.973 ( -2.305 3.133 3.088) 4.967 5.021 ( -0.054 -2.249 3.157) 3.877 5.086 ( -0.976 2.088 -1.877) 2.972 5.149 ( -1.601 -3.201 -1.298) 3.807 5.309 ( -1.320 1.238 0.540) 1.889 5.334 ( -0.021 -1.179 -1.245) 1.715 5.380 ( -0.050 3.143 2.293) 3.891 5.413 ( -3.311 1.330 2.611) 4.422 5.511 ( -2.588 -0.142 -5.202) 5.812 5.517 ( -4.785 0.104 3.042) 5.671 5.597 ( -0.600 2.013 1.006) 2.329 5.636 ( -2.080 -0.344 0.221) 2.120 5.769 ( -2.623 0.578 0.360) 2.710 5.800 ( -4.023 -1.893 -0.851) 4.527 5.895 ( -3.210 3.295 0.376) 4.615 5.942 ( -3.675 -0.872 -0.346) 3.793 6.080 ( -0.833 4.150 1.820) 4.607 6.142 ( -3.916 -1.878 1.328) 4.542 6.253 ( 0.933 1.105 0.856) 1.680 6.287 ( -2.844 -1.327 -0.206) 3.145 6.370 ( 1.976 3.394 2.302) 4.553 6.451 ( 2.448 -4.357 3.718) 6.229 6.536 ( 1.149 4.480 -3.468) 5.781 6.613 ( -0.478 -1.673 -5.998) 6.245 6.706 ( -0.799 2.022 0.781) 2.311 6.751 ( -0.358 -1.549 -2.218) 2.729 6.803 ( -1.463 -0.357 -1.021) 1.819 6.820 ( -0.741 -0.205 -0.843) 1.141 6.912 ( -0.170 0.849 -0.405) 0.956 6.918 ( -0.742 -0.266 -0.649) 1.021 7.013 ( 0.612 1.200 -0.026) 1.348 7.039 ( 2.175 -1.018 -0.019) 2.402 7.078 ( -3.727 3.340 0.696) 5.053 7.141 ( -2.747 -2.738 0.682) 3.938 7.330 ( 1.447 2.090 0.494) 2.590 7.368 ( 0.947 -1.910 1.188) 2.441 7.948 ( -0.219 0.605 0.451) 0.785 7.972 ( 0.141 -1.670 -0.300) 1.703 8.659 ( -4.750 2.883 -0.143) 5.558 8.680 ( -4.767 0.746 0.827) 4.895 9.155 ( 0.925 0.736 0.116) 1.188 9.175 ( 0.815 -1.040 0.755) 1.522 9.216 ( -1.635 -0.384 0.053) 1.680 9.221 ( -2.713 -0.605 0.624) 2.849 9.309 ( 0.415 0.300 0.532) 0.738 9.333 ( 0.069 -2.098 -0.979) 2.316 9.725 ( 1.690 4.918 -1.165) 5.329 9.823 ( 3.731 -4.290 -0.466) 5.705 9.847 ( 2.692 2.634 -0.104) 3.768 9.912 ( 3.080 -3.489 0.383) 4.670 9.964 ( 2.471 4.668 -0.332) 5.292 10.086 ( 3.691 -7.132 0.194) 8.032 ======================= Grid point 73 (41/60) ======================= q-point: ( 0.43 0.43 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 1.879 5.183 -1.545) 5.726 1.732 ( -1.961 -1.378 -0.586) 2.467 1.818 ( 4.918 11.201 0.454) 12.242 1.877 ( 2.325 7.933 -1.679) 8.435 1.983 ( 3.322 -4.252 -3.991) 6.712 2.064 ( -1.889 -7.054 -4.088) 8.369 2.221 ( 3.460 7.417 4.314) 9.251 2.293 ( 4.079 7.959 6.847) 11.264 2.346 ( 2.290 -3.771 3.127) 5.407 2.365 ( -0.551 2.393 5.247) 5.793 2.512 ( -2.554 4.656 -0.520) 5.336 2.611 ( 3.878 3.043 0.725) 4.983 2.636 ( 3.158 1.538 3.397) 4.887 2.703 ( -4.526 2.769 2.927) 6.060 2.727 ( -2.306 -10.774 -4.101) 11.757 2.826 ( -2.457 -4.895 -4.145) 6.869 2.873 ( 1.495 0.842 -9.014) 9.176 2.931 ( 0.238 2.741 -1.847) 3.314 2.966 ( 4.736 -2.958 -3.470) 6.574 2.992 ( -0.562 0.271 -1.622) 1.738 3.054 ( 0.317 -1.973 -4.118) 4.578 3.093 ( -0.390 -2.997 -6.408) 7.085 3.115 ( -3.444 -4.692 0.316) 5.829 3.147 ( -3.714 -5.064 0.493) 6.300 3.230 ( 1.167 -1.924 -0.464) 2.298 3.278 ( 0.065 -4.977 2.194) 5.439 3.426 ( -3.935 0.514 4.972) 6.362 3.463 ( -0.032 -3.319 0.120) 3.322 3.538 ( -0.839 0.144 -0.175) 0.869 3.561 ( 1.147 -2.671 2.175) 3.630 3.709 ( -0.757 0.233 1.937) 2.093 3.742 ( -1.029 -3.102 2.872) 4.351 3.833 ( -0.763 1.628 -1.896) 2.613 3.864 ( -1.652 -1.927 -0.818) 2.667 3.940 ( 2.837 4.566 1.981) 5.729 3.990 ( -0.125 -0.063 -4.825) 4.827 4.086 ( 4.892 1.021 -2.159) 5.444 4.125 ( 6.946 0.123 -3.300) 7.691 4.202 ( 4.637 1.149 1.856) 5.125 4.263 ( 6.105 -3.263 0.479) 6.939 4.317 ( 1.644 -0.742 1.302) 2.225 4.337 ( 4.456 -0.980 -0.826) 4.636 4.377 ( -3.696 2.738 -0.145) 4.602 4.417 ( -3.763 -0.246 0.839) 3.863 4.496 ( -5.626 -0.930 2.308) 6.152 4.501 ( -0.644 -3.267 -1.094) 3.505 4.579 ( -1.710 0.330 1.697) 2.431 4.591 ( -2.591 -0.587 -0.853) 2.790 4.651 ( 3.973 3.114 0.087) 5.048 4.704 ( 2.614 -1.476 0.268) 3.014 4.735 ( -0.753 0.025 -0.841) 1.129 4.761 ( -2.298 -1.773 -2.708) 3.970 4.820 ( 1.521 2.609 -0.180) 3.025 4.874 ( 1.425 -2.031 -0.117) 2.484 4.884 ( 4.232 3.693 0.912) 5.690 4.920 ( 0.036 3.509 -2.612) 4.374 4.951 ( 2.846 -2.857 0.532) 4.068 4.978 ( 0.580 -1.398 -1.364) 2.037 5.131 ( 0.559 3.541 6.144) 7.113 5.181 ( -0.003 -1.231 8.293) 8.384 5.236 ( -4.018 2.127 -3.101) 5.503 5.290 ( -2.360 -1.666 -0.327) 2.907 5.367 ( -0.916 1.162 -0.768) 1.667 5.419 ( -0.045 -1.691 -0.882) 1.908 5.432 ( 0.842 2.188 5.045) 5.563 5.509 ( -2.588 -3.456 6.610) 7.895 5.513 ( -3.001 5.405 0.341) 6.192 5.631 ( -2.887 -5.737 1.127) 6.520 5.748 ( 1.587 1.843 0.240) 2.444 5.764 ( -3.672 1.252 -0.359) 3.896 5.830 ( -1.687 -2.115 0.588) 2.769 5.841 ( -3.743 -1.698 -0.999) 4.230 6.069 ( -3.591 2.567 1.567) 4.684 6.103 ( -2.719 -0.955 0.331) 2.901 6.254 ( 0.881 5.174 -1.433) 5.440 6.322 ( 1.327 -1.193 -1.122) 2.108 6.412 ( -0.193 4.215 -0.014) 4.219 6.466 ( 1.898 -0.469 -4.451) 4.862 6.550 ( 3.346 0.013 -2.933) 4.450 6.582 ( 2.984 -3.077 0.773) 4.355 6.680 ( -2.630 2.130 0.146) 3.388 6.739 ( 0.839 -2.615 -2.368) 3.627 6.790 ( 1.179 1.444 -0.969) 2.101 6.801 ( 0.495 -0.995 -0.004) 1.111 6.898 ( -0.419 1.583 -0.501) 1.712 6.927 ( 0.822 -0.913 0.791) 1.461 6.979 ( -3.231 3.477 -0.747) 4.805 7.035 ( -0.310 -0.650 -1.125) 1.336 7.058 ( -0.246 0.248 -1.025) 1.083 7.103 ( -1.491 -2.420 -0.698) 2.927 7.359 ( 0.673 1.216 1.479) 2.030 7.383 ( -0.547 -1.177 1.277) 1.820 7.952 ( -0.146 0.559 0.660) 0.877 7.972 ( 0.145 -1.403 -0.145) 1.418 8.595 ( -1.900 2.541 0.113) 3.175 8.612 ( -2.971 0.875 0.325) 3.114 9.179 ( 0.373 1.046 1.353) 1.750 9.192 ( -1.433 -0.695 1.333) 2.077 9.194 ( -0.135 -0.625 0.207) 0.672 9.211 ( 1.143 -1.534 0.509) 1.980 9.312 ( -0.256 0.063 -0.301) 0.400 9.329 ( 0.708 -1.341 -1.231) 1.953 9.751 ( 1.279 5.085 1.295) 5.401 9.840 ( 1.461 -2.821 0.064) 3.178 9.915 ( 1.738 0.372 -0.527) 1.854 9.927 ( -1.046 1.253 -1.468) 2.195 10.013 ( 2.198 0.598 1.043) 2.505 10.121 ( 1.196 -7.419 -1.368) 7.638 ======================= Grid point 74 (42/60) ======================= q-point: (-0.43 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -3.102 7.185 0.233) 7.830 1.706 ( -0.463 2.621 -0.715) 2.756 1.842 ( -2.042 10.971 -3.159) 11.598 1.913 ( 3.645 2.009 0.700) 4.220 1.981 ( -3.039 -3.463 -3.941) 6.063 2.002 ( 3.576 -4.449 -4.096) 7.026 2.280 ( -2.990 5.894 7.088) 9.691 2.336 ( -8.726 7.331 6.018) 12.888 2.381 ( -5.885 -2.065 4.915) 7.940 2.453 ( -3.997 -1.018 2.009) 4.588 2.475 ( -4.460 2.158 0.758) 5.012 2.520 ( -6.390 -1.079 3.335) 7.289 2.568 ( 1.252 6.974 0.726) 7.123 2.696 ( 4.928 -3.291 1.907) 6.225 2.712 ( 4.996 3.281 -5.271) 7.969 2.767 ( -1.145 -3.386 -5.041) 6.179 2.852 ( 1.799 2.721 -7.416) 8.102 2.892 ( 4.143 -2.720 -2.697) 5.643 2.953 ( 0.325 -4.950 -1.005) 5.061 2.987 ( 3.222 -5.917 -5.310) 8.579 3.027 ( -0.141 -1.911 -4.049) 4.480 3.055 ( 1.631 -5.090 -2.958) 6.109 3.175 ( 6.965 -1.039 0.445) 7.056 3.226 ( 8.204 -6.199 -3.798) 10.961 3.265 ( 1.973 1.224 1.355) 2.689 3.315 ( -1.024 -2.428 0.690) 2.724 3.393 ( -4.056 -1.255 7.106) 8.278 3.427 ( -4.321 -3.902 1.853) 6.110 3.522 ( -0.129 3.155 0.415) 3.184 3.612 ( 1.718 -5.552 -0.111) 5.813 3.689 ( -4.233 0.858 0.840) 4.400 3.730 ( -1.899 -2.706 3.124) 4.548 3.800 ( -4.476 -0.431 -0.068) 4.497 3.819 ( -3.720 -1.986 -0.334) 4.230 3.936 ( 0.738 2.308 -3.233) 4.040 3.959 ( -0.337 -0.792 -0.032) 0.862 4.068 ( -4.337 4.245 -2.739) 6.658 4.102 ( -1.558 0.910 -4.253) 4.620 4.271 ( -3.180 -0.845 -0.223) 3.298 4.307 ( -1.577 -2.062 1.529) 3.013 4.353 ( 0.403 3.430 0.151) 3.457 4.380 ( 2.302 1.357 0.292) 2.688 4.413 ( -1.866 -1.534 3.486) 4.241 4.450 ( 0.262 -3.278 2.532) 4.150 4.462 ( 1.703 1.303 -2.362) 3.190 4.504 ( 0.285 3.358 1.297) 3.611 4.520 ( 5.551 -2.710 -2.954) 6.847 4.582 ( 0.430 -4.607 3.956) 6.088 4.651 ( -4.612 1.034 -0.249) 4.733 4.677 ( -1.092 -0.560 -1.922) 2.280 4.693 ( 2.331 3.773 -1.129) 4.577 4.771 ( 4.467 -1.631 -1.806) 5.087 4.810 ( -2.281 0.204 -0.004) 2.291 4.836 ( -1.986 -1.065 -0.935) 2.440 4.875 ( 0.872 1.317 -0.967) 1.851 4.899 ( 2.217 -1.370 -0.659) 2.688 4.988 ( -2.744 1.868 3.402) 4.754 5.028 ( -2.340 -2.520 1.464) 3.737 5.170 ( -0.036 2.231 -1.128) 2.500 5.179 ( -2.404 -0.017 -0.445) 2.445 5.247 ( 0.332 3.623 5.446) 6.549 5.304 ( 1.415 -0.760 5.345) 5.581 5.399 ( -0.854 0.585 0.353) 1.093 5.407 ( -0.143 0.141 -1.800) 1.812 5.487 ( -1.025 3.702 0.551) 3.881 5.580 ( 7.636 4.325 7.810) 11.748 5.590 ( 0.365 -2.857 0.012) 2.880 5.659 ( 5.655 -1.296 5.850) 8.239 5.681 ( -0.928 -2.272 -2.198) 3.295 5.758 ( 0.706 -4.940 -2.035) 5.389 5.817 ( 2.747 1.694 0.182) 3.232 5.843 ( 1.221 -0.635 -1.532) 2.059 6.063 ( 0.870 2.287 2.337) 3.384 6.085 ( 2.104 0.290 2.198) 3.057 6.228 ( -0.792 1.838 -2.157) 2.942 6.256 ( -1.959 -0.791 -3.570) 4.148 6.380 ( -3.300 2.986 -0.768) 4.516 6.438 ( -2.750 -2.540 -2.303) 4.395 6.585 ( -0.533 3.304 -3.350) 4.735 6.617 ( -2.426 1.268 -0.825) 2.859 6.656 ( 4.185 0.097 0.792) 4.260 6.709 ( -0.474 -3.073 -2.371) 3.911 6.832 ( 2.401 2.169 1.502) 3.567 6.848 ( 3.295 -0.088 0.202) 3.302 6.890 ( -1.353 2.458 -1.188) 3.046 6.918 ( 1.025 -0.887 -0.419) 1.419 6.965 ( 1.306 0.132 0.711) 1.493 7.003 ( -0.425 -2.896 -3.847) 4.834 7.053 ( 0.881 0.579 0.777) 1.310 7.071 ( -0.459 -0.856 -1.121) 1.484 7.375 ( -1.081 0.930 1.414) 2.009 7.390 ( 0.053 -0.622 1.171) 1.327 7.955 ( -0.286 0.414 0.668) 0.836 7.974 ( 0.280 -1.395 -0.148) 1.430 8.599 ( 1.614 2.085 0.074) 2.638 8.605 ( 2.607 1.478 0.342) 3.017 9.180 ( -0.993 -0.224 0.954) 1.395 9.182 ( -1.246 -0.499 1.478) 1.996 9.213 ( 0.664 0.560 0.591) 1.051 9.235 ( 0.444 -1.511 0.666) 1.709 9.298 ( -0.539 0.832 -0.759) 1.249 9.329 ( 0.720 -2.174 -1.064) 2.525 9.795 ( 0.713 4.736 3.199) 5.760 9.858 ( -2.441 3.712 -2.595) 5.146 9.878 ( 0.220 -2.569 0.906) 2.733 9.898 ( -1.091 -0.183 -2.052) 2.331 10.036 ( -1.633 -1.947 1.846) 3.141 10.100 ( -1.530 -6.806 -2.248) 7.329 ======================= Grid point 75 (43/60) ======================= q-point: (-0.29 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -6.919 11.363 0.822) 13.329 1.680 ( -4.821 -0.391 0.612) 4.876 1.741 ( -5.507 16.729 -3.642) 17.985 1.859 ( -2.170 3.396 -1.239) 4.216 1.964 ( -1.418 -5.955 -2.462) 6.598 2.048 ( 4.916 -7.675 -0.784) 9.148 2.140 ( -13.120 5.772 5.858) 15.484 2.292 ( -2.848 -0.266 0.448) 2.895 2.296 ( -3.955 -1.162 1.013) 4.245 2.399 ( -5.231 -2.472 1.027) 5.876 2.447 ( -2.748 0.469 6.178) 6.778 2.463 ( 0.773 -0.471 1.322) 1.602 2.577 ( -5.372 3.079 -3.487) 7.107 2.701 ( 4.323 -2.426 0.769) 5.016 2.779 ( -4.813 0.037 -2.700) 5.518 2.841 ( 2.569 0.264 1.310) 2.896 2.851 ( 4.931 3.116 -6.394) 8.655 2.903 ( -0.039 4.738 -2.809) 5.508 2.951 ( 10.861 -2.150 -0.595) 11.088 2.999 ( 1.292 -4.828 -1.789) 5.309 3.046 ( 2.805 -0.193 1.992) 3.446 3.104 ( 5.988 -4.781 1.478) 7.804 3.219 ( -2.351 1.385 -1.004) 2.907 3.243 ( -2.254 -1.839 -1.998) 3.529 3.279 ( -1.797 0.181 1.741) 2.508 3.337 ( 5.734 -3.173 -0.359) 6.563 3.404 ( 0.815 -0.636 -0.366) 1.097 3.433 ( 0.427 -3.446 1.325) 3.716 3.547 ( 2.488 1.131 -0.287) 2.748 3.588 ( -4.947 1.417 -0.845) 5.214 3.623 ( 0.226 -2.562 -1.017) 2.766 3.687 ( -4.612 -2.694 0.320) 5.350 3.708 ( -4.613 0.582 2.698) 5.375 3.792 ( -1.238 -5.338 4.931) 7.371 3.900 ( -1.536 0.088 0.280) 1.564 3.923 ( -3.729 -1.325 -0.936) 4.067 4.030 ( -0.722 -0.665 -2.962) 3.120 4.050 ( -1.027 -3.273 0.360) 3.449 4.145 ( -4.298 0.801 -1.829) 4.740 4.211 ( -4.705 -5.469 -3.284) 7.927 4.322 ( -5.152 2.459 1.192) 5.832 4.370 ( -2.267 -0.917 -0.682) 2.539 4.430 ( 0.157 0.527 1.278) 1.392 4.463 ( 1.838 -2.408 3.103) 4.337 4.487 ( -0.041 1.926 -2.929) 3.506 4.504 ( 3.260 -0.062 -1.962) 3.805 4.555 ( -0.602 2.614 -0.706) 2.774 4.636 ( -0.318 -2.000 2.553) 3.259 4.695 ( 3.590 0.073 -0.452) 3.619 4.701 ( 2.355 1.232 0.206) 2.665 4.749 ( 1.420 2.808 3.693) 4.852 4.780 ( 3.375 2.753 0.485) 4.382 4.796 ( 0.172 -2.444 -0.801) 2.577 4.831 ( -1.555 -0.437 -1.467) 2.182 4.906 ( -2.896 0.330 -0.301) 2.930 4.921 ( -1.057 0.684 1.064) 1.649 4.943 ( -2.072 -1.337 -1.684) 2.986 4.972 ( 0.623 -6.225 1.034) 6.341 5.110 ( -0.957 3.921 -0.835) 4.121 5.156 ( -1.529 -0.002 1.339) 2.032 5.328 ( -1.749 1.282 0.475) 2.220 5.334 ( 2.683 1.825 3.424) 4.717 5.343 ( -0.971 2.435 -5.542) 6.131 5.404 ( 0.097 -0.352 -1.372) 1.419 5.504 ( 0.776 -0.087 3.019) 3.119 5.567 ( -1.919 -3.036 4.063) 5.423 5.633 ( 1.085 6.187 -1.301) 6.414 5.733 ( 0.041 0.340 0.525) 0.627 5.793 ( 5.710 -2.981 -3.049) 7.127 5.830 ( 4.573 -2.617 -0.293) 5.277 5.884 ( 4.014 0.835 1.070) 4.237 5.896 ( 3.912 -0.331 0.802) 4.007 6.142 ( 2.072 2.176 1.580) 3.395 6.176 ( 0.510 -1.371 -0.294) 1.493 6.213 ( 4.368 3.659 3.037) 6.457 6.274 ( 3.536 -0.906 3.952) 5.380 6.310 ( -0.763 1.326 -1.209) 1.950 6.330 ( -3.512 -1.511 0.404) 3.845 6.522 ( -1.030 3.944 -4.536) 6.099 6.560 ( -2.253 0.008 -0.791) 2.388 6.676 ( -0.440 -0.053 -0.855) 0.963 6.709 ( 2.134 -2.480 -2.566) 4.158 6.833 ( -1.267 2.701 -2.440) 3.855 6.863 ( -1.335 -0.121 -0.225) 1.359 6.904 ( 2.512 1.429 0.619) 2.956 6.952 ( 3.795 -2.348 -2.462) 5.096 6.963 ( -1.202 0.794 -0.249) 1.462 6.985 ( -0.893 -1.840 1.459) 2.512 7.093 ( 3.325 1.387 0.609) 3.653 7.115 ( 3.783 -0.649 1.281) 4.046 7.356 ( -2.116 2.037 0.431) 2.968 7.394 ( -1.073 -1.927 0.946) 2.400 7.957 ( -0.185 0.345 0.455) 0.601 7.978 ( 0.331 -1.609 -0.329) 1.675 8.661 ( 4.659 3.182 -0.079) 5.643 8.686 ( 5.114 0.618 0.726) 5.203 9.170 ( -0.874 0.295 0.077) 0.926 9.175 ( -1.136 -0.067 0.818) 1.402 9.235 ( 2.015 0.378 0.496) 2.109 9.246 ( 0.685 -0.779 0.387) 1.107 9.285 ( 0.062 1.273 0.116) 1.280 9.331 ( 0.598 -3.295 -0.699) 3.421 9.765 ( -3.906 4.513 -2.175) 6.352 9.818 ( -2.774 0.141 0.642) 2.850 9.846 ( -0.915 0.985 -0.161) 1.354 9.902 ( -0.378 -0.177 0.617) 0.745 9.981 ( -6.168 -3.392 -1.625) 7.225 10.032 ( -3.158 -5.298 1.148) 6.274 ======================= Grid point 76 (44/60) ======================= q-point: (-0.14 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -5.404 11.852 0.775) 13.049 1.536 ( -7.434 6.873 -1.986) 10.317 1.648 ( -4.818 9.378 0.634) 10.562 1.806 ( -1.785 7.496 0.228) 7.709 1.872 ( -3.379 -8.408 -5.834) 10.777 2.035 ( -1.925 -2.266 4.660) 5.527 2.119 ( -3.629 -1.050 2.922) 4.776 2.206 ( -7.069 -3.479 -0.367) 7.888 2.270 ( 0.874 0.100 2.273) 2.437 2.329 ( -4.732 -2.335 -2.337) 5.771 2.392 ( -0.377 3.768 -0.902) 3.892 2.516 ( -1.267 -5.310 -0.909) 5.534 2.540 ( 4.923 5.248 2.521) 7.624 2.655 ( 5.346 -5.854 -2.250) 8.241 2.806 ( -2.380 8.866 -0.615) 9.200 2.846 ( 2.970 2.315 1.277) 3.976 2.884 ( 0.225 -2.349 3.692) 4.381 2.922 ( 4.345 1.134 -1.786) 4.832 2.989 ( -1.210 0.847 -2.756) 3.127 3.080 ( -3.880 -5.825 0.269) 7.004 3.130 ( -0.725 2.132 3.169) 3.888 3.155 ( -2.706 -0.940 -1.940) 3.460 3.156 ( 2.437 1.028 -2.157) 3.413 3.195 ( -0.869 -5.881 0.871) 6.009 3.326 ( 4.450 1.692 3.321) 5.804 3.382 ( 0.866 -2.719 -2.861) 4.041 3.416 ( 4.056 2.105 1.175) 4.718 3.484 ( 5.206 -1.943 0.569) 5.586 3.543 ( -0.792 0.350 1.787) 1.985 3.589 ( 2.216 -2.450 -0.368) 3.324 3.638 ( -1.242 -2.769 0.995) 3.194 3.663 ( -0.032 -5.002 4.380) 6.649 3.700 ( -0.392 3.171 3.393) 4.661 3.793 ( -4.651 -2.176 1.424) 5.329 3.827 ( -3.180 -1.325 -1.205) 3.650 3.901 ( -0.792 -5.848 3.688) 6.959 3.968 ( -2.665 -2.115 -2.752) 4.376 3.987 ( -2.199 -4.031 -2.425) 5.193 4.130 ( 0.350 -1.109 0.221) 1.183 4.143 ( -0.500 -2.189 -1.477) 2.688 4.256 ( -4.539 2.791 2.798) 6.018 4.295 ( -6.533 0.150 -1.404) 6.683 4.422 ( -1.010 1.325 -0.304) 1.693 4.445 ( -0.552 0.030 -1.836) 1.917 4.509 ( 1.171 4.983 -1.041) 5.223 4.531 ( 0.755 1.756 -0.571) 1.995 4.580 ( 2.986 -0.330 0.777) 3.103 4.593 ( -2.108 3.909 -5.325) 6.934 4.643 ( -2.006 -2.989 -1.997) 4.117 4.691 ( -2.966 -2.719 -1.087) 4.168 4.759 ( -0.095 0.026 -1.437) 1.440 4.770 ( 1.242 -0.214 -3.544) 3.761 4.822 ( 1.441 1.261 -1.027) 2.173 4.842 ( 4.163 -1.500 0.220) 4.430 4.877 ( -0.270 -0.832 -2.479) 2.628 4.900 ( 1.356 -4.347 -1.633) 4.838 4.990 ( 2.945 0.857 4.332) 5.308 5.043 ( 1.876 -4.278 1.721) 4.978 5.107 ( 0.012 4.740 2.572) 5.392 5.168 ( -1.020 -0.581 3.326) 3.527 5.245 ( -0.891 3.188 -6.400) 7.205 5.310 ( -0.326 -2.660 -2.626) 3.753 5.382 ( 0.819 0.684 1.271) 1.660 5.416 ( 1.732 -1.981 1.498) 3.028 5.541 ( -1.957 2.045 4.161) 5.032 5.575 ( -2.299 -0.948 1.899) 3.128 5.673 ( 2.789 6.145 0.256) 6.753 5.745 ( -0.050 2.958 0.957) 3.109 5.797 ( -0.526 -2.818 -2.933) 4.101 5.825 ( -1.437 -2.534 -2.292) 3.707 5.870 ( -3.912 1.700 0.505) 4.296 5.928 ( -1.114 -3.411 -1.114) 3.757 6.143 ( 0.496 2.307 0.625) 2.441 6.183 ( 3.184 -1.121 -1.224) 3.591 6.298 ( 2.159 3.336 -0.295) 3.985 6.358 ( 3.326 -2.459 1.329) 4.345 6.418 ( 6.122 4.014 4.547) 8.618 6.449 ( 3.483 1.546 5.029) 6.310 6.475 ( 2.907 2.208 -2.429) 4.385 6.527 ( 0.924 -3.380 -1.189) 3.701 6.669 ( -0.229 2.096 0.552) 2.180 6.711 ( 1.101 -1.306 -0.839) 1.903 6.793 ( -2.222 0.423 0.159) 2.268 6.819 ( -1.840 -1.941 0.643) 2.751 6.944 ( -1.651 1.289 0.848) 2.260 6.948 ( 2.760 2.967 -1.165) 4.217 6.962 ( -0.726 -0.551 0.046) 0.913 7.016 ( 3.364 -3.294 -1.291) 4.882 7.146 ( 1.686 3.043 0.149) 3.482 7.182 ( 2.244 -0.642 0.259) 2.348 7.314 ( -2.603 2.733 -0.116) 3.776 7.373 ( -1.938 -3.471 0.075) 3.976 7.959 ( -0.114 0.175 0.243) 0.320 7.978 ( 0.310 -1.677 -0.661) 1.829 8.732 ( 2.891 3.359 -0.077) 4.433 8.768 ( 2.823 -0.465 -0.015) 2.861 9.154 ( -0.282 0.730 -0.472) 0.914 9.160 ( -0.715 0.310 -0.281) 0.828 9.256 ( -0.113 2.030 0.148) 2.039 9.298 ( 3.531 -0.556 -1.014) 3.715 9.342 ( 3.093 -0.720 0.679) 3.248 9.363 ( 7.161 -2.502 1.461) 7.725 9.666 ( -5.767 4.129 -0.818) 7.140 9.753 ( -9.565 -4.022 -3.694) 11.014 9.788 ( -1.633 0.253 0.101) 1.656 9.806 ( -4.198 -1.762 1.252) 4.722 9.927 ( -0.154 3.232 0.767) 3.325 10.004 ( -2.641 -4.399 1.405) 5.319 ======================= Grid point 98 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -12.602 0.000 -17.198) 21.321 0.974 ( 12.602 0.000 17.198) 21.321 1.019 ( 5.055 0.000 -20.205) 20.828 1.019 ( -5.055 0.000 20.205) 20.828 1.653 ( 14.479 0.000 -32.552) 35.627 1.653 ( -14.479 0.000 32.552) 35.627 1.995 ( -8.100 0.000 -7.712) 11.185 1.995 ( 8.100 0.000 7.712) 11.185 2.397 ( -5.006 0.000 1.618) 5.261 2.397 ( 5.006 0.000 -1.618) 5.261 2.503 ( -1.352 0.000 -6.689) 6.824 2.503 ( 1.352 0.000 6.689) 6.824 2.742 ( -5.841 0.000 -8.483) 10.299 2.742 ( 5.841 0.000 8.483) 10.299 2.855 ( -7.255 0.000 0.375) 7.264 2.855 ( 7.255 0.000 -0.375) 7.264 3.046 ( 2.286 0.000 -5.368) 5.835 3.046 ( -2.286 0.000 5.368) 5.835 3.128 ( -2.087 0.000 0.631) 2.180 3.128 ( 2.087 0.000 -0.631) 2.180 3.253 ( -0.185 0.000 -3.580) 3.584 3.253 ( 0.185 0.000 3.580) 3.584 3.351 ( -2.493 0.000 -9.030) 9.368 3.351 ( 2.493 0.000 9.030) 9.368 3.439 ( -4.962 0.000 0.539) 4.991 3.439 ( 4.962 0.000 -0.539) 4.991 3.557 ( 1.842 0.000 -4.074) 4.471 3.557 ( -1.842 0.000 4.074) 4.471 3.710 ( -5.933 0.000 -1.127) 6.039 3.710 ( 5.933 0.000 1.127) 6.039 3.845 ( 0.436 0.000 -3.777) 3.802 3.845 ( -0.436 0.000 3.777) 3.802 3.854 ( -3.416 0.000 -2.729) 4.373 3.854 ( 3.416 0.000 2.729) 4.373 3.962 ( 0.355 0.000 -1.094) 1.150 3.962 ( -0.355 0.000 1.094) 1.150 4.084 ( -5.763 0.000 0.024) 5.763 4.084 ( 5.763 0.000 -0.024) 5.763 4.174 ( -0.082 0.000 -4.604) 4.605 4.174 ( 0.082 0.000 4.604) 4.605 4.274 ( -0.457 0.000 -0.955) 1.058 4.274 ( 0.457 0.000 0.955) 1.058 4.322 ( -2.219 0.000 -2.899) 3.651 4.322 ( 2.219 0.000 2.899) 3.651 4.548 ( -3.650 0.000 -6.893) 7.800 4.548 ( 3.650 0.000 6.893) 7.800 4.591 ( -6.150 0.000 -4.283) 7.494 4.591 ( 6.150 0.000 4.283) 7.494 4.748 ( 1.470 0.000 -9.747) 9.857 4.748 ( -1.470 0.000 9.747) 9.857 4.802 ( 1.082 0.000 -2.721) 2.928 4.802 ( -1.082 0.000 2.721) 2.928 4.832 ( 2.359 0.000 -5.680) 6.150 4.832 ( -2.359 0.000 5.680) 6.150 4.908 ( -5.565 0.000 0.605) 5.598 4.908 ( 5.565 0.000 -0.605) 5.598 4.933 ( 0.743 0.000 -8.211) 8.244 4.933 ( -0.743 0.000 8.211) 8.244 5.136 ( -3.522 0.000 -7.561) 8.341 5.136 ( 3.522 0.000 7.561) 8.341 5.191 ( 5.012 0.000 -2.018) 5.403 5.191 ( -5.012 0.000 2.018) 5.403 5.385 ( 1.690 0.000 -3.342) 3.745 5.385 ( -1.690 0.000 3.342) 3.745 5.433 ( -0.867 0.000 0.259) 0.905 5.433 ( 0.867 0.000 -0.259) 0.905 5.726 ( -6.104 0.000 -0.885) 6.168 5.726 ( 6.104 0.000 0.885) 6.168 5.772 ( -4.641 0.000 0.034) 4.641 5.772 ( 4.641 0.000 -0.034) 4.641 5.893 ( 8.014 0.000 -3.266) 8.654 5.893 ( -8.014 0.000 3.266) 8.654 6.106 ( -0.833 0.000 0.261) 0.872 6.106 ( 0.833 0.000 -0.261) 0.872 6.254 ( 1.479 0.000 -3.719) 4.003 6.254 ( -1.479 0.000 3.719) 4.003 6.356 ( 0.526 0.000 -3.078) 3.122 6.356 ( -0.526 0.000 3.078) 3.122 6.574 ( -0.325 0.000 -8.359) 8.366 6.574 ( 0.325 0.000 8.359) 8.366 6.636 ( 1.753 0.000 -1.415) 2.253 6.636 ( -1.753 0.000 1.415) 2.253 6.834 ( -3.879 0.000 -0.067) 3.880 6.834 ( 3.879 0.000 0.067) 3.880 6.890 ( 3.520 0.000 -1.910) 4.004 6.890 ( -3.520 0.000 1.910) 4.004 7.030 ( -3.796 0.000 -1.539) 4.096 7.030 ( 3.796 0.000 1.539) 4.096 7.098 ( -2.261 0.000 0.370) 2.291 7.098 ( 2.261 0.000 -0.370) 2.291 7.331 ( 1.951 0.000 -2.755) 3.376 7.331 ( -1.951 0.000 2.755) 3.376 8.198 ( 1.610 0.000 -1.503) 2.203 8.198 ( -1.610 0.000 1.503) 2.203 8.426 ( -1.177 0.000 0.184) 1.192 8.426 ( 1.177 0.000 -0.184) 1.192 9.175 ( 1.234 0.000 -1.150) 1.687 9.175 ( -1.234 0.000 1.150) 1.687 9.270 ( -0.863 0.000 -1.073) 1.377 9.270 ( 0.863 0.000 1.073) 1.377 9.389 ( -9.631 0.000 2.446) 9.937 9.389 ( 9.631 0.000 -2.446) 9.937 9.737 ( 3.278 0.000 -3.992) 5.165 9.737 ( -3.278 0.000 3.992) 5.165 9.880 ( -3.057 0.000 -0.934) 3.196 9.880 ( 3.057 0.000 0.934) 3.196 10.081 ( -15.692 0.000 -0.384) 15.696 10.081 ( 15.692 0.000 0.384) 15.696 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 17.257 0.000 -14.025) 22.238 0.930 ( 18.565 0.000 -20.702) 27.807 1.327 ( 6.782 0.000 18.549) 19.750 1.471 ( 9.595 0.000 20.223) 22.384 1.606 ( 21.297 0.000 -30.566) 37.253 1.722 ( -5.254 0.000 10.453) 11.699 1.881 ( 2.118 0.000 -0.132) 2.122 2.226 ( 5.437 0.000 7.002) 8.865 2.306 ( -5.884 0.000 0.990) 5.967 2.389 ( -4.515 0.000 -3.255) 5.566 2.415 ( 0.233 0.000 -4.010) 4.017 2.504 ( -7.289 0.000 3.146) 7.939 2.590 ( 1.087 0.000 -9.139) 9.203 2.703 ( -5.659 0.000 -1.209) 5.787 2.816 ( -10.074 0.000 -4.008) 10.842 2.919 ( -1.027 0.000 5.405) 5.502 3.040 ( 6.191 0.000 -8.698) 10.676 3.075 ( 0.005 0.000 9.391) 9.391 3.077 ( 0.110 0.000 -1.765) 1.768 3.187 ( 2.134 0.000 -0.282) 2.153 3.213 ( -2.033 0.000 -2.449) 3.183 3.271 ( 0.465 0.000 3.598) 3.628 3.330 ( 2.571 0.000 -4.318) 5.026 3.392 ( -0.468 0.000 3.120) 3.154 3.436 ( -3.757 0.000 -0.907) 3.865 3.542 ( 1.723 0.000 4.579) 4.893 3.550 ( 3.466 0.000 -3.201) 4.718 3.557 ( 0.477 0.000 -1.721) 1.786 3.706 ( -2.016 0.000 1.651) 2.606 3.712 ( 8.482 0.000 1.331) 8.586 3.805 ( -4.168 0.000 5.737) 7.091 3.813 ( 2.422 0.000 -1.212) 2.709 3.838 ( -0.389 0.000 2.640) 2.669 3.906 ( -6.447 0.000 0.908) 6.510 3.969 ( 0.157 0.000 4.027) 4.030 3.969 ( 0.821 0.000 0.605) 1.020 4.008 ( -1.036 0.000 -2.650) 2.845 4.128 ( -1.152 0.000 -4.193) 4.348 4.193 ( 4.669 0.000 -3.329) 5.734 4.219 ( -2.659 0.000 4.643) 5.351 4.243 ( 3.016 0.000 1.542) 3.387 4.252 ( 4.386 0.000 -1.935) 4.794 4.360 ( 2.689 0.000 2.202) 3.476 4.415 ( 3.256 0.000 -4.381) 5.458 4.446 ( 1.196 0.000 -1.797) 2.158 4.475 ( -2.890 0.000 -1.751) 3.379 4.612 ( -4.282 0.000 -5.783) 7.196 4.618 ( 0.066 0.000 1.894) 1.895 4.731 ( -5.265 0.000 -0.795) 5.324 4.759 ( 3.488 0.000 5.384) 6.415 4.803 ( 1.197 0.000 -4.130) 4.299 4.817 ( -3.651 0.000 6.623) 7.562 4.833 ( -0.287 0.000 -2.216) 2.234 4.841 ( -4.517 0.000 1.135) 4.657 4.889 ( 0.008 0.000 7.672) 7.672 4.902 ( 11.953 0.000 -10.359) 15.817 4.987 ( 2.465 0.000 -2.519) 3.525 5.003 ( 1.749 0.000 5.642) 5.906 5.049 ( 2.636 0.000 -4.222) 4.978 5.190 ( 0.892 0.000 5.236) 5.312 5.208 ( 0.301 0.000 -6.738) 6.744 5.276 ( -1.906 0.000 3.833) 4.281 5.366 ( -4.930 0.000 2.731) 5.636 5.376 ( -3.490 0.000 -1.119) 3.665 5.445 ( -0.318 0.000 8.076) 8.083 5.470 ( 0.927 0.000 2.754) 2.906 5.513 ( -2.928 0.000 -3.294) 4.407 5.652 ( -8.897 0.000 -0.572) 8.915 5.731 ( -2.427 0.000 0.316) 2.448 5.765 ( -3.564 0.000 -2.137) 4.156 5.926 ( 2.326 0.000 4.122) 4.733 5.997 ( 5.195 0.000 -0.729) 5.246 6.114 ( -0.714 0.000 1.575) 1.729 6.145 ( 3.369 0.000 -2.537) 4.217 6.188 ( -2.987 0.000 -1.688) 3.431 6.239 ( -3.063 0.000 4.214) 5.209 6.292 ( -5.254 0.000 -4.654) 7.019 6.395 ( 0.955 0.000 4.802) 4.896 6.448 ( 0.103 0.000 -8.587) 8.588 6.582 ( -3.593 0.000 -1.361) 3.842 6.655 ( 3.064 0.000 -3.924) 4.979 6.663 ( 1.483 0.000 5.023) 5.238 6.741 ( -4.649 0.000 -1.092) 4.775 6.863 ( 0.687 0.000 -1.894) 2.015 6.894 ( 2.593 0.000 -0.827) 2.722 6.931 ( -4.115 0.000 -0.786) 4.189 6.962 ( 4.631 0.000 -1.130) 4.767 7.066 ( -0.663 0.000 1.939) 2.050 7.114 ( 0.551 0.000 2.140) 2.210 7.135 ( -1.681 0.000 -1.405) 2.190 7.330 ( 1.222 0.000 -2.565) 2.841 7.356 ( 0.523 0.000 5.844) 5.867 8.178 ( -2.389 0.000 1.621) 2.887 8.199 ( 0.478 0.000 -1.636) 1.705 8.385 ( -3.944 0.000 1.088) 4.091 8.411 ( -2.726 0.000 -0.391) 2.754 9.167 ( -0.707 0.000 0.858) 1.112 9.187 ( 1.666 0.000 -1.238) 2.075 9.262 ( 0.877 0.000 0.439) 0.981 9.276 ( -0.521 0.000 -0.081) 0.527 9.349 ( -1.737 0.000 5.420) 5.692 9.528 ( -7.902 0.000 -5.818) 9.813 9.719 ( -3.750 0.000 2.816) 4.690 9.740 ( -0.505 0.000 -2.155) 2.213 9.832 ( 10.006 0.000 6.020) 11.677 9.906 ( 4.309 0.000 -2.721) 5.096 9.937 ( 3.666 0.000 -0.689) 3.730 10.270 ( 8.694 0.000 -4.621) 9.845 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 22.781 0.000 -5.355) 23.402 1.180 ( 25.336 0.000 -9.466) 27.047 1.595 ( 6.945 0.000 10.996) 13.006 1.663 ( -3.422 0.000 6.410) 7.266 1.791 ( 25.745 0.000 -14.654) 29.623 1.831 ( 9.926 0.000 5.367) 11.283 2.040 ( 7.095 0.000 9.457) 11.823 2.104 ( -13.426 0.000 -4.443) 14.142 2.279 ( -3.227 0.000 1.527) 3.570 2.309 ( -5.078 0.000 -2.303) 5.575 2.362 ( -0.337 0.000 2.413) 2.436 2.433 ( 1.473 0.000 -4.444) 4.681 2.533 ( -1.232 0.000 -10.062) 10.137 2.604 ( -5.124 0.000 -2.236) 5.591 2.619 ( -2.116 0.000 -3.231) 3.862 2.871 ( -5.330 0.000 2.147) 5.746 2.976 ( -7.025 0.000 -3.968) 8.068 3.085 ( -3.429 0.000 -3.612) 4.981 3.095 ( 5.258 0.000 -4.092) 6.663 3.147 ( -4.067 0.000 4.505) 6.069 3.234 ( 0.035 0.000 5.163) 5.163 3.240 ( -1.313 0.000 0.182) 1.325 3.370 ( 2.280 0.000 3.032) 3.794 3.377 ( -4.922 0.000 3.583) 6.088 3.472 ( 2.320 0.000 1.165) 2.596 3.586 ( -0.230 0.000 0.702) 0.739 3.593 ( 8.318 0.000 -5.054) 9.733 3.660 ( 10.548 0.000 0.176) 10.550 3.704 ( -1.454 0.000 0.846) 1.682 3.789 ( -4.548 0.000 1.064) 4.671 3.818 ( -1.548 0.000 2.652) 3.070 3.846 ( 3.128 0.000 -0.500) 3.168 3.886 ( 5.946 0.000 -0.095) 5.946 3.934 ( -0.332 0.000 5.855) 5.864 3.944 ( -0.443 0.000 -2.405) 2.446 3.971 ( 1.405 0.000 -0.293) 1.435 4.032 ( 1.943 0.000 1.640) 2.543 4.067 ( -0.267 0.000 -0.342) 0.434 4.198 ( -1.593 0.000 0.775) 1.771 4.200 ( -2.431 0.000 2.276) 3.330 4.317 ( -5.233 0.000 -2.925) 5.995 4.344 ( 2.895 0.000 0.040) 2.895 4.365 ( 6.230 0.000 -3.120) 6.967 4.434 ( 4.121 0.000 1.554) 4.405 4.455 ( -0.783 0.000 -1.624) 1.803 4.471 ( 8.134 0.000 -0.849) 8.179 4.566 ( -6.039 0.000 -2.629) 6.586 4.602 ( 3.096 0.000 -0.063) 3.097 4.671 ( -7.704 0.000 5.060) 9.217 4.748 ( 0.213 0.000 1.705) 1.718 4.748 ( 0.285 0.000 -4.514) 4.523 4.822 ( -1.305 0.000 4.165) 4.365 4.847 ( -3.510 0.000 -0.124) 3.512 4.860 ( 2.670 0.000 0.654) 2.749 4.940 ( -0.561 0.000 -5.816) 5.843 4.942 ( 1.482 0.000 4.718) 4.945 4.999 ( 7.681 0.000 -6.125) 9.824 5.022 ( -5.225 0.000 1.772) 5.517 5.099 ( -3.745 0.000 -0.487) 3.777 5.109 ( 4.854 0.000 -7.213) 8.694 5.191 ( -5.521 0.000 -0.409) 5.536 5.234 ( -5.931 0.000 -1.570) 6.135 5.251 ( -0.992 0.000 3.836) 3.962 5.287 ( -9.211 0.000 13.166) 16.068 5.462 ( 3.887 0.000 0.128) 3.889 5.489 ( 1.045 0.000 -1.100) 1.517 5.561 ( -1.948 0.000 1.317) 2.351 5.687 ( -1.431 0.000 2.254) 2.670 5.690 ( -2.689 0.000 -1.474) 3.066 5.748 ( 9.137 0.000 6.185) 11.034 5.960 ( -6.312 0.000 -2.338) 6.731 5.967 ( -4.622 0.000 7.848) 9.108 6.050 ( -10.015 0.000 -8.312) 13.015 6.103 ( -1.375 0.000 0.082) 1.377 6.121 ( -2.413 0.000 1.218) 2.703 6.202 ( -5.892 0.000 2.497) 6.399 6.283 ( 12.913 0.000 -5.146) 13.901 6.436 ( 4.664 0.000 -3.363) 5.750 6.474 ( 1.769 0.000 0.736) 1.916 6.559 ( 2.230 0.000 1.351) 2.607 6.636 ( -4.321 0.000 2.192) 4.845 6.638 ( 1.486 0.000 -5.992) 6.173 6.764 ( 2.859 0.000 2.031) 3.507 6.823 ( -1.450 0.000 -4.699) 4.917 6.860 ( -3.497 0.000 0.184) 3.502 6.945 ( 2.541 0.000 -0.058) 2.542 6.970 ( -5.037 0.000 -1.621) 5.291 6.992 ( -1.255 0.000 0.608) 1.395 7.123 ( -0.490 0.000 0.334) 0.593 7.138 ( 0.401 0.000 -0.114) 0.417 7.333 ( 2.308 0.000 -1.647) 2.835 7.421 ( -0.595 0.000 4.474) 4.513 8.154 ( -2.134 0.000 1.553) 2.639 8.182 ( 0.195 0.000 -2.277) 2.286 8.320 ( -4.372 0.000 1.382) 4.585 8.335 ( -2.654 0.000 -3.036) 4.033 9.172 ( 0.011 0.000 1.068) 1.068 9.205 ( 1.634 0.000 -1.470) 2.198 9.259 ( 0.136 0.000 -1.977) 1.982 9.275 ( -0.693 0.000 1.039) 1.249 9.314 ( -1.540 0.000 -4.581) 4.833 9.428 ( 2.585 0.000 6.072) 6.599 9.651 ( -5.251 0.000 -0.003) 5.251 9.749 ( 2.509 0.000 -4.290) 4.970 9.892 ( 1.526 0.000 1.004) 1.827 9.989 ( 3.884 0.000 -3.003) 4.910 10.209 ( 5.687 0.000 14.146) 15.247 10.330 ( 4.591 0.000 -4.508) 6.435 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 13.416 0.000 -5.881) 14.649 1.458 ( 2.892 0.000 -4.294) 5.178 1.683 ( 8.962 0.000 -1.545) 9.094 1.802 ( 0.518 0.000 5.331) 5.356 1.900 ( 1.497 0.000 -3.421) 3.734 1.962 ( -3.137 0.000 7.021) 7.690 2.080 ( 7.615 0.000 9.425) 12.117 2.185 ( -6.167 0.000 -2.366) 6.605 2.217 ( -4.204 0.000 -0.031) 4.204 2.307 ( -1.204 0.000 -3.265) 3.480 2.336 ( 5.135 0.000 -5.457) 7.493 2.355 ( -1.440 0.000 1.043) 1.778 2.482 ( 3.688 0.000 0.061) 3.689 2.553 ( -3.122 0.000 -0.649) 3.188 2.625 ( 14.850 0.000 -2.841) 15.119 2.798 ( -3.647 0.000 1.473) 3.933 2.818 ( -3.919 0.000 -2.911) 4.882 2.927 ( -11.958 0.000 -2.291) 12.176 3.150 ( 5.246 0.000 -2.551) 5.833 3.168 ( 0.582 0.000 1.707) 1.803 3.307 ( -0.020 0.000 6.537) 6.537 3.317 ( 5.431 0.000 4.559) 7.091 3.339 ( -1.509 0.000 2.382) 2.820 3.433 ( 0.521 0.000 5.075) 5.102 3.483 ( -1.444 0.000 -3.675) 3.949 3.532 ( -2.460 0.000 -4.975) 5.550 3.613 ( -4.736 0.000 -1.758) 5.052 3.648 ( -1.123 0.000 -4.149) 4.298 3.759 ( 3.868 0.000 -3.883) 5.481 3.775 ( 4.901 0.000 -2.956) 5.723 3.807 ( -0.987 0.000 1.745) 2.005 3.878 ( -4.411 0.000 4.872) 6.572 3.916 ( 0.260 0.000 -0.092) 0.275 3.934 ( -1.220 0.000 0.960) 1.552 3.974 ( 3.473 0.000 -1.058) 3.631 4.006 ( -3.630 0.000 1.106) 3.795 4.061 ( 1.575 0.000 -2.061) 2.594 4.062 ( -0.854 0.000 1.616) 1.828 4.183 ( 2.610 0.000 1.158) 2.855 4.204 ( 0.395 0.000 0.676) 0.783 4.325 ( 5.850 0.000 0.089) 5.850 4.344 ( 0.160 0.000 -0.885) 0.900 4.391 ( -2.640 0.000 -2.442) 3.596 4.434 ( -5.949 0.000 1.286) 6.086 4.445 ( 5.589 0.000 -2.380) 6.075 4.521 ( 2.582 0.000 1.529) 3.001 4.554 ( -7.648 0.000 0.765) 7.686 4.567 ( 0.352 0.000 -1.327) 1.373 4.632 ( 3.909 0.000 -0.625) 3.958 4.738 ( -6.518 0.000 -0.129) 6.519 4.739 ( 3.766 0.000 -2.902) 4.755 4.814 ( -5.090 0.000 3.537) 6.198 4.859 ( 5.029 0.000 2.813) 5.762 4.904 ( -4.181 0.000 0.403) 4.201 4.923 ( 0.573 0.000 -2.328) 2.398 4.971 ( -5.615 0.000 -0.867) 5.681 4.978 ( 9.554 0.000 2.382) 9.846 5.031 ( 2.257 0.000 3.036) 3.783 5.060 ( 2.354 0.000 0.411) 2.389 5.108 ( -3.806 0.000 -0.438) 3.831 5.144 ( 7.867 0.000 -9.169) 12.081 5.230 ( 4.561 0.000 0.853) 4.640 5.233 ( -8.882 0.000 7.057) 11.344 5.302 ( -5.717 0.000 10.797) 12.217 5.505 ( 2.851 0.000 -2.129) 3.558 5.522 ( 2.543 0.000 -0.316) 2.563 5.547 ( -0.313 0.000 -0.166) 0.354 5.652 ( 0.120 0.000 -0.562) 0.575 5.661 ( -4.525 0.000 -4.069) 6.086 5.680 ( -7.981 0.000 -6.704) 10.423 5.891 ( -0.567 0.000 -0.841) 1.014 5.926 ( -7.547 0.000 5.500) 9.338 5.976 ( 4.093 0.000 4.268) 5.913 6.060 ( -1.227 0.000 -3.109) 3.342 6.108 ( 1.378 0.000 -1.226) 1.844 6.138 ( -4.331 0.000 3.089) 5.320 6.447 ( 9.544 0.000 -5.219) 10.878 6.495 ( -0.126 0.000 0.813) 0.823 6.536 ( 8.120 0.000 0.818) 8.161 6.569 ( -1.643 0.000 2.351) 2.868 6.595 ( 0.479 0.000 -4.687) 4.712 6.642 ( -1.754 0.000 2.646) 3.175 6.735 ( -1.599 0.000 -3.790) 4.113 6.740 ( -6.065 0.000 1.280) 6.198 6.901 ( 4.938 0.000 1.450) 5.146 6.904 ( 0.337 0.000 -1.053) 1.106 6.950 ( -3.141 0.000 1.978) 3.712 6.999 ( -0.707 0.000 1.624) 1.771 7.089 ( -1.206 0.000 -0.928) 1.522 7.115 ( -0.946 0.000 -2.666) 2.828 7.381 ( 3.643 0.000 -0.261) 3.652 7.428 ( -2.474 0.000 1.882) 3.109 8.144 ( -0.823 0.000 1.759) 1.942 8.160 ( 0.122 0.000 -2.259) 2.262 8.273 ( -2.709 0.000 2.012) 3.375 8.276 ( -0.105 0.000 -2.822) 2.824 9.188 ( 0.269 0.000 1.284) 1.312 9.204 ( 0.362 0.000 -1.542) 1.584 9.255 ( 1.296 0.000 -1.511) 1.991 9.266 ( -1.559 0.000 1.377) 2.080 9.343 ( 5.537 0.000 0.539) 5.563 9.465 ( -6.054 0.000 0.936) 6.126 9.619 ( 2.619 0.000 3.226) 4.155 9.712 ( -1.027 0.000 -5.089) 5.191 9.947 ( 1.113 0.000 3.897) 4.053 9.996 ( 1.412 0.000 -4.559) 4.773 10.348 ( -2.021 0.000 7.693) 7.954 10.355 ( 3.745 0.000 -4.514) 5.865 ======================= Grid point 106 (49/60) ======================= q-point: ( 0.00 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.764 2.777 -18.854) 19.073 0.984 ( -0.764 2.777 18.854) 19.073 1.143 ( -7.787 13.009 -16.115) 22.126 1.143 ( 7.787 13.009 16.115) 22.126 1.869 ( 11.192 17.107 -26.776) 33.688 1.869 ( -11.192 17.107 26.776) 33.688 2.008 ( -8.797 1.244 -7.770) 11.803 2.008 ( 8.797 1.244 7.770) 11.803 2.262 ( -1.017 -7.302 -3.629) 8.217 2.262 ( 1.017 -7.302 3.629) 8.217 2.581 ( 0.999 3.291 -4.253) 5.470 2.581 ( -0.999 3.291 4.253) 5.470 2.736 ( -4.773 -1.030 -5.450) 7.317 2.736 ( 4.773 -1.030 5.450) 7.317 2.855 ( -4.416 -0.335 -0.730) 4.488 2.855 ( 4.416 -0.335 0.730) 4.488 2.996 ( 1.607 -6.158 -8.723) 10.798 2.996 ( -1.607 -6.158 8.723) 10.798 3.033 ( -3.996 -5.564 -2.199) 7.194 3.033 ( 3.996 -5.564 2.199) 7.194 3.233 ( -0.505 -1.084 -0.551) 1.317 3.233 ( 0.505 -1.084 0.551) 1.317 3.342 ( 3.113 -4.429 -4.488) 7.032 3.342 ( -3.113 -4.429 4.488) 7.032 3.435 ( -1.341 -0.193 -4.664) 4.857 3.435 ( 1.341 -0.193 4.664) 4.857 3.554 ( 1.964 -0.956 -2.833) 3.577 3.554 ( -1.964 -0.956 2.833) 3.577 3.611 ( -2.818 -5.229 -4.115) 7.226 3.611 ( 2.818 -5.229 4.115) 7.226 3.813 ( -4.927 -1.948 -1.769) 5.585 3.813 ( 4.927 -1.948 1.769) 5.585 3.883 ( -1.730 0.569 -2.644) 3.211 3.883 ( 1.730 0.569 2.644) 3.211 3.961 ( -0.629 -2.154 -1.851) 2.909 3.961 ( 0.629 -2.154 1.851) 2.909 4.040 ( 3.226 -2.169 -4.099) 5.649 4.040 ( -3.226 -2.169 4.099) 5.649 4.179 ( -1.932 0.859 -2.814) 3.520 4.179 ( 1.932 0.859 2.814) 3.520 4.284 ( 0.969 -3.727 -4.114) 5.635 4.284 ( -0.969 -3.727 4.114) 5.635 4.330 ( -2.876 1.730 -2.643) 4.272 4.330 ( 2.876 1.730 2.643) 4.272 4.426 ( -4.216 -6.323 0.635) 7.626 4.426 ( 4.216 -6.323 -0.635) 7.626 4.602 ( -2.772 1.293 -2.167) 3.749 4.602 ( 2.772 1.293 2.167) 3.749 4.731 ( 0.157 -2.812 -5.772) 6.423 4.731 ( -0.157 -2.812 5.772) 6.423 4.782 ( -0.167 -1.603 -1.570) 2.250 4.782 ( 0.167 -1.603 1.570) 2.250 4.869 ( -0.906 3.459 -0.279) 3.587 4.869 ( 0.906 3.459 0.279) 3.587 4.930 ( -4.136 2.285 -0.918) 4.813 4.930 ( 4.136 2.285 0.918) 4.813 4.979 ( -2.576 2.346 -5.624) 6.615 4.979 ( 2.576 2.346 5.624) 6.615 5.115 ( -0.835 -0.939 -5.248) 5.396 5.115 ( 0.835 -0.939 5.248) 5.396 5.290 ( 0.231 5.523 -2.889) 6.237 5.290 ( -0.231 5.523 2.889) 6.237 5.376 ( -1.530 2.024 -4.051) 4.780 5.376 ( 1.530 2.024 4.051) 4.780 5.462 ( 1.278 2.095 -2.938) 3.828 5.462 ( -1.278 2.095 2.938) 3.828 5.619 ( -2.838 -8.093 -0.966) 8.631 5.619 ( 2.838 -8.093 0.966) 8.631 5.823 ( -7.411 2.362 -1.261) 7.879 5.823 ( 7.411 2.362 1.261) 7.879 5.901 ( -3.383 0.264 -0.657) 3.456 5.901 ( 3.383 0.264 0.657) 3.456 6.138 ( -2.603 2.977 -1.246) 4.146 6.138 ( 2.603 2.977 1.246) 4.146 6.281 ( -1.879 1.816 -1.108) 2.838 6.281 ( 1.879 1.816 1.108) 2.838 6.353 ( 1.741 0.870 -3.295) 3.826 6.353 ( -1.741 0.870 3.295) 3.826 6.590 ( 0.703 0.887 -6.652) 6.747 6.590 ( -0.703 0.887 6.652) 6.747 6.648 ( 1.741 1.553 -1.556) 2.804 6.648 ( -1.741 1.553 1.556) 2.804 6.844 ( 2.115 0.995 -0.827) 2.479 6.844 ( -2.115 0.995 0.827) 2.479 6.906 ( -2.256 0.552 -1.378) 2.701 6.906 ( 2.256 0.552 1.378) 2.701 7.034 ( -3.356 1.131 -1.209) 3.742 7.034 ( 3.356 1.131 1.209) 3.742 7.090 ( -0.847 -0.684 -0.330) 1.137 7.090 ( 0.847 -0.684 0.330) 1.137 7.326 ( -3.382 -0.493 -5.066) 6.111 7.326 ( 3.382 -0.493 5.066) 6.111 8.092 ( 0.890 -6.446 -1.012) 6.586 8.092 ( -0.890 -6.446 1.012) 6.586 8.564 ( -1.389 9.312 -3.160) 9.932 8.564 ( 1.389 9.312 3.160) 9.932 9.165 ( 0.741 -0.780 -0.892) 1.397 9.165 ( -0.741 -0.780 0.892) 1.397 9.269 ( -0.666 -0.077 -1.489) 1.633 9.269 ( 0.666 -0.077 1.489) 1.633 9.398 ( -8.759 0.776 1.496) 8.920 9.398 ( 8.759 0.776 -1.496) 8.920 9.686 ( 3.487 -4.373 -3.527) 6.612 9.686 ( -3.487 -4.373 3.527) 6.612 9.874 ( -3.327 -0.367 0.992) 3.491 9.874 ( 3.327 -0.367 -0.992) 3.491 10.042 ( -11.348 -3.392 -1.954) 12.004 10.042 ( 11.348 -3.392 1.954) 12.004 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.14 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 11.258 14.796 -9.173) 20.731 0.997 ( 16.150 8.270 -17.792) 25.412 1.276 ( 5.541 0.155 16.386) 17.298 1.536 ( 12.431 5.999 15.289) 20.597 1.790 ( 11.705 13.767 -18.646) 25.966 1.875 ( -0.744 9.538 -1.721) 9.721 1.944 ( -0.103 8.384 4.276) 9.413 2.206 ( -3.590 -6.874 0.597) 7.778 2.235 ( 4.334 -0.333 3.702) 5.710 2.324 ( 3.504 0.124 1.062) 3.664 2.495 ( -6.486 0.557 1.074) 6.598 2.563 ( -3.204 5.208 -1.151) 6.222 2.614 ( 0.646 1.640 -6.208) 6.453 2.688 ( -5.310 -1.221 -1.590) 5.676 2.757 ( -8.302 -4.982 -4.186) 10.548 2.859 ( -0.553 -4.407 -2.172) 4.944 3.008 ( 2.148 -5.336 0.561) 5.779 3.024 ( 3.065 -1.211 0.940) 3.427 3.102 ( 0.693 0.482 0.699) 1.096 3.144 ( 3.146 -5.360 5.766) 8.478 3.199 ( -2.072 0.018 0.449) 2.120 3.251 ( -1.128 -2.850 -0.739) 3.153 3.299 ( 3.585 -1.751 -2.830) 4.891 3.353 ( 0.345 -5.068 -1.241) 5.229 3.430 ( -3.112 -0.496 2.104) 3.790 3.494 ( -3.332 -5.339 -2.048) 6.618 3.537 ( 3.535 -5.125 -0.628) 6.258 3.550 ( -4.743 -0.743 5.690) 7.445 3.584 ( 3.800 -3.658 -1.253) 5.422 3.680 ( 4.287 -3.102 5.048) 7.313 3.694 ( -0.512 -3.187 -0.301) 3.242 3.845 ( -0.408 -1.607 -2.592) 3.077 3.871 ( 0.298 0.891 -1.293) 1.598 3.889 ( 2.876 -3.863 -1.475) 5.037 3.955 ( -0.364 -2.914 2.051) 3.582 3.983 ( -5.349 4.497 1.149) 7.082 4.024 ( 1.205 0.986 3.333) 3.679 4.100 ( -1.052 -6.440 3.863) 7.583 4.152 ( -2.536 -0.670 -6.412) 6.928 4.202 ( 5.791 0.824 -2.911) 6.534 4.224 ( -0.231 -5.514 1.714) 5.779 4.286 ( -0.307 0.821 2.433) 2.586 4.319 ( 4.037 -1.606 -1.391) 4.562 4.407 ( 1.198 -2.589 0.537) 2.903 4.446 ( 5.003 2.354 3.385) 6.483 4.480 ( 0.717 0.645 -4.037) 4.151 4.568 ( 0.664 0.867 -2.177) 2.436 4.634 ( 0.652 -2.864 -4.273) 5.186 4.690 ( 1.275 -1.452 -0.299) 1.955 4.744 ( -1.828 -1.019 -2.264) 3.083 4.786 ( -2.659 -2.635 7.599) 8.471 4.795 ( -1.683 -2.016 0.329) 2.646 4.825 ( -2.290 1.377 0.057) 2.673 4.841 ( 1.082 -1.339 2.410) 2.962 4.922 ( -0.100 3.894 0.854) 3.987 4.944 ( 4.913 1.446 -3.121) 5.997 5.009 ( -3.200 -0.236 -0.853) 3.321 5.022 ( 2.764 3.161 1.557) 4.478 5.076 ( 1.219 2.254 -3.695) 4.496 5.203 ( -2.247 -4.616 0.435) 5.152 5.253 ( 1.354 5.323 5.691) 7.909 5.304 ( 1.189 6.948 -0.874) 7.103 5.355 ( -0.774 1.731 -2.430) 3.082 5.392 ( -8.223 -3.849 -1.594) 9.218 5.425 ( -1.530 -0.021 -0.958) 1.806 5.461 ( -2.443 0.867 2.787) 3.806 5.560 ( 4.336 4.546 2.825) 6.889 5.642 ( -0.686 -5.349 1.991) 5.749 5.710 ( -5.724 2.509 1.153) 6.355 5.815 ( -4.020 2.000 -0.623) 4.533 5.914 ( -1.337 -0.215 3.595) 3.841 5.988 ( 5.644 -1.903 -0.473) 5.975 6.115 ( 1.521 1.880 -0.979) 2.609 6.173 ( -5.629 -1.009 -1.049) 5.814 6.188 ( -1.284 2.551 3.350) 4.402 6.282 ( -3.565 3.116 -0.882) 4.817 6.326 ( -1.542 4.184 -3.953) 5.959 6.387 ( 1.488 -0.562 3.496) 3.841 6.484 ( -1.154 2.757 -7.355) 7.939 6.592 ( -3.396 1.550 0.190) 3.738 6.651 ( 1.664 -1.447 3.928) 4.505 6.684 ( 3.197 2.024 -3.515) 5.164 6.786 ( -4.001 3.912 -0.771) 5.648 6.846 ( -1.639 -1.579 0.036) 2.276 6.872 ( 2.197 -0.949 -1.565) 2.860 6.938 ( -0.446 0.946 -2.519) 2.728 6.998 ( 2.266 2.537 -0.350) 3.419 7.058 ( -2.209 -0.602 1.946) 3.005 7.085 ( -0.651 -2.008 0.760) 2.244 7.190 ( 2.813 2.857 0.663) 4.064 7.211 ( -0.588 -4.603 -2.691) 5.364 7.427 ( 1.064 1.521 4.752) 5.102 8.072 ( -1.725 -5.830 0.950) 6.153 8.099 ( 0.270 -6.894 -0.936) 6.962 8.485 ( -3.832 8.838 -1.626) 9.769 8.580 ( -3.738 9.434 2.838) 10.537 9.156 ( -0.346 -1.029 0.299) 1.126 9.176 ( 1.527 -0.761 -0.892) 1.925 9.255 ( 0.591 -0.518 -0.151) 0.801 9.273 ( -0.923 -0.220 -0.075) 0.952 9.353 ( -1.913 0.053 4.673) 5.049 9.524 ( -10.048 -1.024 -6.254) 11.880 9.627 ( 3.224 -4.872 2.775) 6.468 9.728 ( 6.505 -3.111 2.815) 7.741 9.819 ( 1.773 2.005 -0.869) 2.814 9.887 ( 2.832 -1.723 -3.140) 4.566 9.963 ( 3.717 -0.281 0.552) 3.768 10.223 ( 8.369 -4.429 -2.921) 9.909 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.29 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 21.614 6.091 -2.753) 22.624 1.187 ( 18.303 5.182 -11.381) 22.167 1.524 ( 7.669 -0.963 8.044) 11.155 1.801 ( -3.134 6.158 1.287) 7.029 1.866 ( 7.915 4.498 10.809) 14.132 1.955 ( 13.852 11.166 -7.356) 19.252 2.040 ( -4.242 -1.206 3.185) 5.440 2.094 ( 8.347 4.416 -2.862) 9.867 2.277 ( -2.515 0.275 0.419) 2.564 2.352 ( -3.371 1.615 1.277) 3.950 2.423 ( 0.954 1.498 0.718) 1.916 2.481 ( -4.761 7.388 -2.812) 9.228 2.539 ( -7.329 -3.465 -4.798) 9.420 2.590 ( 0.719 2.482 -5.787) 6.338 2.649 ( 2.825 4.804 -3.048) 6.353 2.844 ( -0.194 -2.896 -0.133) 2.905 2.927 ( -5.953 -3.160 -4.447) 8.075 3.044 ( -2.892 -1.375 -2.781) 4.241 3.095 ( -0.766 -6.066 1.970) 6.423 3.159 ( 3.264 0.897 -3.605) 4.945 3.181 ( -1.319 -2.819 1.834) 3.613 3.216 ( -3.562 -1.849 2.790) 4.888 3.342 ( -2.819 -4.550 6.605) 8.501 3.373 ( 1.076 -0.593 -1.411) 1.871 3.417 ( 1.174 -4.977 2.777) 5.819 3.453 ( 3.239 -9.460 -2.766) 10.375 3.545 ( -0.411 -5.964 0.297) 5.985 3.602 ( -0.619 -4.736 3.624) 5.995 3.668 ( 7.957 -0.991 -0.603) 8.042 3.720 ( 1.706 -6.825 -1.080) 7.118 3.790 ( -0.859 -4.358 -2.500) 5.097 3.853 ( 1.240 -0.398 -2.607) 2.914 3.870 ( 0.516 -4.835 0.913) 4.948 3.902 ( -2.768 1.630 1.809) 3.687 3.959 ( 6.590 2.302 3.320) 7.730 3.984 ( -1.416 1.314 0.830) 2.102 4.023 ( -0.060 -6.161 -1.010) 6.243 4.099 ( 0.302 3.850 3.342) 5.107 4.122 ( 2.280 -2.934 0.303) 3.728 4.212 ( -0.393 -0.119 3.551) 3.575 4.293 ( -0.834 0.758 0.353) 1.181 4.336 ( -0.452 -3.775 0.561) 3.844 4.402 ( 2.707 1.633 -2.401) 3.970 4.421 ( 5.075 1.918 -0.416) 5.441 4.442 ( 3.452 -2.003 -3.549) 5.341 4.514 ( 2.969 4.937 -2.343) 6.219 4.586 ( 0.207 0.890 1.145) 1.464 4.638 ( -0.218 0.232 -1.060) 1.107 4.672 ( -1.683 0.006 2.647) 3.137 4.694 ( 0.942 -2.901 -1.356) 3.338 4.767 ( -2.677 -1.346 0.697) 3.077 4.813 ( -1.970 -0.712 0.205) 2.104 4.817 ( -0.842 -0.823 1.114) 1.621 4.858 ( -1.445 -1.463 -1.500) 2.546 4.899 ( -0.747 -1.849 -2.423) 3.138 4.940 ( -0.253 1.327 0.966) 1.661 4.988 ( -2.400 0.296 4.078) 4.740 5.060 ( -0.700 -1.368 0.139) 1.543 5.064 ( -1.599 1.816 -1.394) 2.793 5.142 ( 1.049 1.048 -1.638) 2.210 5.214 ( -3.418 -1.044 -0.802) 3.663 5.261 ( -4.767 3.341 -1.597) 6.037 5.293 ( -3.387 3.362 3.469) 5.900 5.312 ( -2.239 3.931 2.111) 4.992 5.431 ( 1.591 -3.247 -1.304) 3.844 5.484 ( 4.980 1.808 1.315) 5.459 5.618 ( -2.724 0.104 0.713) 2.818 5.657 ( -2.893 3.045 4.092) 5.864 5.746 ( -0.306 2.436 -1.863) 3.082 5.786 ( 6.910 3.397 6.444) 10.041 5.910 ( -4.097 -2.220 3.532) 5.847 6.001 ( -7.548 -1.263 0.690) 7.684 6.064 ( -5.443 0.319 -0.843) 5.517 6.097 ( -4.298 3.049 -2.276) 5.739 6.147 ( -3.341 0.965 -1.769) 3.901 6.180 ( -1.898 0.701 1.235) 2.371 6.310 ( 7.377 1.221 -4.818) 8.895 6.441 ( 2.073 -0.946 -0.557) 2.346 6.456 ( 2.748 -0.147 -1.766) 3.270 6.581 ( 2.290 2.047 0.274) 3.084 6.654 ( 0.531 1.121 -5.463) 5.602 6.710 ( -4.334 6.231 1.920) 7.829 6.734 ( 1.955 -1.983 0.763) 2.888 6.813 ( -3.006 -1.516 0.121) 3.369 6.892 ( 1.129 2.553 -2.870) 4.004 6.934 ( 2.330 -0.152 1.299) 2.672 6.948 ( -4.493 -1.467 -1.106) 4.854 7.014 ( -2.089 0.708 0.712) 2.318 7.110 ( 0.209 -0.189 0.063) 0.289 7.148 ( -1.183 -0.592 -1.349) 1.889 7.290 ( 4.225 -1.170 0.388) 4.401 7.458 ( -1.790 1.213 2.573) 3.361 8.057 ( -1.192 -5.273 1.107) 5.518 8.085 ( -0.248 -6.266 -1.229) 6.390 8.410 ( -2.918 8.176 -0.631) 8.704 8.503 ( -5.430 9.290 -0.235) 10.763 9.161 ( 0.456 -0.815 0.561) 1.090 9.199 ( 1.921 -0.450 -1.224) 2.322 9.255 ( -0.240 -0.678 -0.787) 1.066 9.267 ( -0.402 -0.710 1.096) 1.366 9.310 ( -1.097 0.059 -3.843) 3.997 9.428 ( 0.449 -0.802 4.344) 4.440 9.629 ( -1.244 -1.002 -0.435) 1.655 9.772 ( 0.249 1.741 -2.711) 3.232 9.872 ( 1.516 -1.461 1.590) 2.639 9.957 ( 4.420 -2.712 -2.360) 5.697 10.150 ( 6.773 -5.199 9.289) 12.617 10.293 ( 4.443 -3.707 -3.815) 6.931 ======================= Grid point 110 (52/60) ======================= q-point: ( 0.43 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 11.328 4.275 -4.982) 13.093 1.453 ( 5.766 1.135 -2.200) 6.275 1.659 ( 7.291 -0.646 -1.350) 7.443 1.822 ( -2.442 1.865 4.064) 5.095 1.896 ( 2.649 0.341 -0.627) 2.744 2.028 ( -4.140 3.717 0.842) 5.628 2.112 ( 3.725 3.993 9.135) 10.643 2.226 ( 2.155 3.599 -2.553) 4.910 2.240 ( -8.739 2.281 1.556) 9.164 2.309 ( 2.057 1.579 0.411) 2.625 2.378 ( 0.771 4.132 -6.803) 7.997 2.392 ( -3.663 2.766 -0.277) 4.598 2.494 ( 3.096 1.091 0.356) 3.302 2.552 ( -1.841 0.803 -0.815) 2.168 2.736 ( 9.642 8.167 -0.910) 12.669 2.785 ( -2.858 -0.722 -1.317) 3.228 2.808 ( 0.378 0.119 -2.426) 2.459 2.956 ( -4.496 0.067 -3.359) 5.612 3.120 ( 1.766 -2.746 -0.781) 3.357 3.150 ( -2.579 -2.911 1.910) 4.333 3.231 ( 4.773 -3.022 4.737) 7.372 3.297 ( 4.670 -3.398 0.250) 5.781 3.316 ( -2.422 -2.727 3.634) 5.148 3.402 ( 0.005 -6.939 -0.592) 6.964 3.441 ( 0.171 -1.294 4.727) 4.903 3.513 ( 2.498 -5.144 -2.475) 6.231 3.530 ( -1.926 -6.151 0.656) 6.478 3.567 ( -0.780 -6.190 -5.317) 8.197 3.698 ( -0.677 -2.925 -2.754) 4.075 3.731 ( -3.888 -4.485 -0.262) 5.941 3.783 ( 5.856 -2.396 -2.141) 6.680 3.825 ( 0.498 -6.052 0.588) 6.101 3.861 ( -3.461 -2.776 1.255) 4.611 3.880 ( -1.892 -2.793 1.020) 3.524 3.975 ( 0.729 0.473 0.068) 0.872 4.007 ( -2.652 -1.770 0.324) 3.205 4.071 ( 2.365 1.944 -0.422) 3.090 4.097 ( -1.105 0.702 -0.013) 1.310 4.192 ( 1.832 -1.844 0.315) 2.619 4.268 ( -2.848 -5.934 -0.264) 6.587 4.281 ( 1.663 5.444 1.532) 5.894 4.298 ( 1.557 3.961 0.202) 4.260 4.414 ( 3.962 0.456 -0.563) 4.028 4.457 ( 3.799 2.901 -3.013) 5.650 4.497 ( -0.121 0.282 -0.285) 0.419 4.524 ( -4.185 -0.409 1.535) 4.477 4.564 ( 0.965 1.607 -0.792) 2.035 4.586 ( -3.702 2.660 2.732) 5.315 4.659 ( 0.465 1.335 -2.555) 2.920 4.695 ( 0.019 -1.772 -4.415) 4.758 4.754 ( -4.066 -2.838 0.724) 5.011 4.773 ( -3.369 -2.666 0.281) 4.306 4.814 ( 4.758 -3.766 1.836) 6.339 4.825 ( 1.361 -0.691 1.519) 2.153 4.903 ( -5.387 -2.357 -1.041) 5.972 4.945 ( -6.748 -2.550 0.097) 7.214 4.992 ( 9.038 0.736 3.062) 9.571 5.025 ( 3.878 0.254 1.927) 4.338 5.122 ( 1.395 3.613 2.879) 4.826 5.164 ( 3.942 4.169 -1.293) 5.881 5.182 ( -0.516 2.263 -3.799) 4.452 5.252 ( 1.212 2.972 0.530) 3.254 5.264 ( -4.755 1.792 4.761) 6.964 5.304 ( -1.164 0.910 3.993) 4.257 5.476 ( 3.559 -1.769 0.163) 3.978 5.513 ( -1.712 -0.835 -0.296) 1.928 5.586 ( -2.652 3.658 -0.973) 4.622 5.652 ( -1.909 0.664 -2.587) 3.283 5.722 ( -0.909 4.135 -0.249) 4.241 5.739 ( -4.103 3.720 -4.517) 7.147 5.866 ( -1.391 -2.088 0.159) 2.514 5.929 ( -7.083 -0.308 2.347) 7.468 5.994 ( 3.470 1.489 2.409) 4.479 6.069 ( -2.599 0.288 -0.558) 2.674 6.095 ( -0.500 0.327 3.521) 3.572 6.147 ( -1.323 1.891 -2.126) 3.138 6.421 ( 7.904 -2.018 -4.116) 9.137 6.472 ( -1.088 -2.237 1.700) 3.013 6.533 ( 8.126 -0.524 -1.253) 8.239 6.603 ( 2.808 1.850 -4.011) 5.234 6.618 ( -2.616 1.810 2.080) 3.801 6.657 ( -4.546 2.022 1.779) 5.284 6.729 ( -1.088 0.159 -1.038) 1.512 6.743 ( -3.189 0.771 -0.705) 3.356 6.895 ( 1.236 0.273 -0.103) 1.270 6.930 ( -1.066 0.858 0.529) 1.467 6.971 ( 1.542 2.690 2.129) 3.761 7.018 ( 0.676 0.070 2.917) 2.995 7.071 ( -1.801 -0.618 -2.340) 3.016 7.102 ( -1.803 -1.538 -2.740) 3.623 7.369 ( 3.954 -0.674 0.496) 4.041 7.432 ( -3.023 -0.145 0.659) 3.097 8.055 ( -0.341 -4.918 1.084) 5.048 8.067 ( -0.271 -5.315 -1.107) 5.436 8.379 ( 0.085 7.786 -0.022) 7.787 8.415 ( -3.375 8.330 -0.732) 9.018 9.184 ( 0.736 -0.245 1.152) 1.389 9.203 ( 0.159 -0.042 -1.294) 1.304 9.252 ( 1.193 -0.551 -1.460) 1.964 9.260 ( -1.504 -0.563 1.570) 2.246 9.337 ( 4.872 -0.575 0.016) 4.906 9.432 ( -4.684 -3.085 1.091) 5.714 9.642 ( 2.286 2.335 2.551) 4.146 9.722 ( -1.493 1.338 -4.117) 4.579 9.928 ( 1.056 -1.793 3.737) 4.277 9.972 ( 1.426 -2.114 -4.188) 4.903 10.290 ( 0.148 -5.233 5.820) 7.828 10.315 ( 2.472 -4.036 -3.505) 5.889 ======================= Grid point 114 (53/60) ======================= q-point: ( 0.00 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 2.692 12.014 -8.130) 14.754 1.142 ( -2.692 12.014 8.130) 14.754 1.437 ( -4.648 14.912 -6.449) 16.899 1.437 ( 4.648 14.912 6.449) 16.899 1.977 ( -1.659 -2.168 -6.174) 6.751 1.977 ( 1.659 -2.168 6.174) 6.751 2.099 ( 0.332 -0.279 -4.391) 4.412 2.099 ( -0.332 -0.279 4.391) 4.412 2.305 ( 2.488 12.435 -11.821) 17.337 2.305 ( -2.488 12.435 11.821) 17.337 2.586 ( -0.820 -2.703 -2.914) 4.058 2.586 ( 0.820 -2.703 2.914) 4.058 2.730 ( -2.531 1.819 -1.392) 3.414 2.730 ( 2.531 1.819 1.392) 3.414 2.805 ( -4.001 -5.118 -3.056) 7.179 2.805 ( 4.001 -5.118 3.056) 7.179 2.863 ( 1.403 -4.529 -5.151) 7.001 2.863 ( -1.403 -4.529 5.151) 7.001 2.967 ( 0.575 -2.254 -5.576) 6.042 2.967 ( -0.575 -2.254 5.576) 6.042 3.201 ( -2.541 -4.805 -0.131) 5.437 3.201 ( 2.541 -4.805 0.131) 5.437 3.244 ( 2.851 -1.010 -6.636) 7.293 3.244 ( -2.851 -1.010 6.636) 7.293 3.354 ( -1.202 -5.550 -1.577) 5.893 3.354 ( 1.202 -5.550 1.577) 5.893 3.545 ( -2.826 0.386 -3.054) 4.179 3.545 ( 2.826 0.386 3.054) 4.179 3.591 ( 3.403 0.642 -2.769) 4.434 3.591 ( -3.403 0.642 2.769) 4.434 3.781 ( -4.720 -1.786 -2.065) 5.453 3.781 ( 4.720 -1.786 2.065) 5.453 3.862 ( 0.001 -6.545 -2.550) 7.024 3.862 ( -0.001 -6.545 2.550) 7.024 3.872 ( -0.325 -0.445 -3.062) 3.111 3.872 ( 0.325 -0.445 3.062) 3.111 4.019 ( -0.470 -1.140 -6.834) 6.944 4.019 ( 0.470 -1.140 6.834) 6.944 4.124 ( -0.942 -5.187 -0.850) 5.340 4.124 ( 0.942 -5.187 0.850) 5.340 4.202 ( -3.216 -2.162 -3.005) 4.904 4.202 ( 3.216 -2.162 3.005) 4.904 4.359 ( -0.128 0.483 -3.430) 3.466 4.359 ( 0.128 0.483 3.430) 3.466 4.423 ( -0.008 3.878 -2.122) 4.421 4.423 ( 0.008 3.878 2.122) 4.421 4.616 ( -1.670 0.231 -0.630) 1.800 4.616 ( 1.670 0.231 0.630) 1.800 4.687 ( 0.839 -1.581 -4.671) 5.002 4.687 ( -0.839 -1.581 4.671) 5.002 4.744 ( 0.604 -1.899 -2.468) 3.171 4.744 ( -0.604 -1.899 2.468) 3.171 4.883 ( -3.603 -1.893 -3.830) 5.589 4.883 ( 3.603 -1.893 3.830) 5.589 4.961 ( 1.387 -4.101 -2.942) 5.234 4.961 ( -1.387 -4.101 2.942) 5.234 5.012 ( 0.366 3.567 -0.462) 3.615 5.012 ( -0.366 3.567 0.462) 3.615 5.103 ( 1.985 0.194 -2.718) 3.371 5.103 ( -1.985 0.194 2.718) 3.371 5.309 ( -2.911 -1.358 -1.558) 3.569 5.309 ( 2.911 -1.358 1.558) 3.569 5.459 ( -0.386 -1.967 -1.657) 2.601 5.459 ( 0.386 -1.967 1.657) 2.601 5.485 ( -0.905 2.283 -5.139) 5.696 5.485 ( 0.905 2.283 5.139) 5.696 5.560 ( -0.054 6.989 -3.847) 7.978 5.560 ( 0.054 6.989 3.847) 7.978 5.809 ( -4.333 -2.105 -1.857) 5.163 5.809 ( 4.333 -2.105 1.857) 5.163 5.928 ( 2.498 0.865 -3.568) 4.441 5.928 ( -2.498 0.865 3.568) 4.441 6.182 ( 2.132 0.653 -2.649) 3.463 6.182 ( -2.132 0.653 2.649) 3.463 6.303 ( -4.555 1.985 -2.929) 5.767 6.303 ( 4.555 1.985 2.929) 5.767 6.412 ( 2.254 3.495 -1.588) 4.451 6.412 ( -2.254 3.495 1.588) 4.451 6.587 ( 1.782 -0.949 -3.897) 4.389 6.587 ( -1.782 -0.949 3.897) 4.389 6.699 ( -3.493 3.395 0.774) 4.932 6.699 ( 3.493 3.395 -0.774) 4.932 6.861 ( -0.694 -0.230 -0.796) 1.080 6.861 ( 0.694 -0.230 0.796) 1.080 6.909 ( -2.109 0.843 -0.929) 2.454 6.909 ( 2.109 0.843 0.929) 2.454 7.026 ( 0.792 -2.332 -3.112) 3.969 7.026 ( -0.792 -2.332 3.112) 3.969 7.120 ( -1.381 3.523 -3.136) 4.915 7.120 ( 1.381 3.523 3.136) 4.915 7.311 ( -3.036 -0.970 -4.304) 5.356 7.311 ( 3.036 -0.970 4.304) 5.356 7.999 ( 1.176 -3.085 -1.283) 3.542 7.999 ( -1.176 -3.085 1.283) 3.542 8.712 ( -1.042 5.231 -2.358) 5.832 8.712 ( 1.042 5.231 2.358) 5.832 9.154 ( 0.334 -0.269 -0.413) 0.595 9.154 ( -0.334 -0.269 0.413) 0.595 9.269 ( -0.518 0.105 -1.951) 2.021 9.269 ( 0.518 0.105 1.951) 2.021 9.409 ( -7.128 0.209 -0.273) 7.136 9.409 ( 7.128 0.209 0.273) 7.136 9.611 ( 4.341 -2.493 -2.098) 5.428 9.611 ( -4.341 -2.493 2.098) 5.428 9.870 ( 0.680 -0.023 -2.094) 2.201 9.870 ( -0.680 -0.023 2.094) 2.201 9.968 ( -6.453 -3.736 -3.368) 8.182 9.968 ( 6.453 -3.736 3.368) 8.182 ======================= Grid point 116 (54/60) ======================= q-point: ( 0.14 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 8.070 14.579 0.224) 16.665 1.251 ( 10.126 15.286 -6.996) 19.625 1.423 ( 4.900 14.461 2.749) 15.514 1.662 ( 11.075 5.512 6.218) 13.845 1.920 ( -1.445 2.366 4.040) 4.900 2.032 ( -1.379 -3.068 2.806) 4.380 2.099 ( 6.671 3.800 -5.310) 9.335 2.185 ( -0.953 9.964 2.125) 10.233 2.224 ( 3.110 0.487 -5.333) 6.193 2.378 ( 2.522 0.487 1.431) 2.940 2.479 ( -4.368 0.438 -1.582) 4.667 2.575 ( -7.233 -5.221 -5.773) 10.626 2.605 ( -0.440 -0.745 -4.703) 4.781 2.666 ( -0.540 -1.789 1.161) 2.200 2.753 ( 0.702 6.942 -0.529) 6.997 2.816 ( 1.508 -0.357 -5.031) 5.264 2.888 ( 0.303 -4.827 0.251) 4.843 2.947 ( 1.356 -5.632 3.773) 6.914 3.060 ( 3.589 -3.207 2.465) 5.408 3.091 ( 2.898 -1.954 4.028) 5.333 3.167 ( -1.254 -4.372 2.262) 5.080 3.198 ( -1.580 -6.208 -2.467) 6.865 3.240 ( 2.996 -0.381 -4.262) 5.224 3.261 ( -2.206 -0.736 0.592) 2.400 3.359 ( -0.581 -7.037 0.676) 7.093 3.396 ( 1.772 -4.461 2.876) 5.596 3.436 ( -4.717 0.738 0.539) 4.805 3.528 ( -1.658 -3.136 -2.263) 4.208 3.568 ( -5.953 0.710 3.291) 6.839 3.624 ( -1.083 -1.654 0.268) 1.995 3.689 ( 4.744 -0.514 -0.663) 4.818 3.798 ( -0.102 -3.672 -4.175) 5.561 3.822 ( 2.451 -0.744 -4.185) 4.907 3.862 ( -0.608 -5.387 0.817) 5.483 3.910 ( 3.102 -3.724 0.436) 4.866 3.916 ( 0.677 -0.642 -2.674) 2.832 4.025 ( 1.951 -4.593 2.913) 5.778 4.063 ( -3.351 0.927 1.216) 3.684 4.087 ( -0.544 -0.985 4.266) 4.412 4.142 ( 0.131 -2.781 1.750) 3.288 4.181 ( 4.980 -2.663 -1.732) 5.907 4.290 ( 6.278 -1.751 -0.281) 6.524 4.359 ( 1.184 5.281 -0.172) 5.415 4.395 ( -1.172 1.554 1.406) 2.401 4.446 ( 3.325 -1.796 -1.401) 4.031 4.478 ( 3.766 0.786 2.663) 4.679 4.606 ( -2.202 0.839 -2.917) 3.750 4.618 ( 2.180 -1.194 -1.034) 2.692 4.641 ( 0.800 -1.747 -5.476) 5.803 4.708 ( -3.673 -1.684 -0.547) 4.078 4.743 ( 1.773 -0.219 2.824) 3.342 4.767 ( 2.770 -1.646 5.481) 6.358 4.804 ( -2.624 -0.855 2.352) 3.626 4.905 ( -3.838 1.121 -2.317) 4.621 4.911 ( -3.354 -2.884 1.957) 4.837 4.947 ( -3.964 -6.008 1.245) 7.305 4.997 ( -1.833 2.790 4.662) 5.734 5.066 ( 2.759 0.612 0.968) 2.987 5.092 ( 1.857 -3.087 -3.112) 4.761 5.150 ( 2.559 2.279 -4.201) 5.421 5.245 ( -2.876 -4.380 -1.348) 5.411 5.366 ( -3.138 1.438 -0.321) 3.467 5.371 ( 0.663 -0.534 -1.345) 1.592 5.443 ( -1.521 4.955 0.408) 5.199 5.457 ( 2.348 1.904 -1.943) 3.593 5.522 ( -4.759 5.106 1.465) 7.132 5.587 ( -0.021 3.030 4.876) 5.740 5.659 ( 5.309 3.318 0.829) 6.315 5.710 ( -0.317 -0.814 3.242) 3.358 5.834 ( -2.644 0.089 -1.024) 2.836 5.904 ( -2.662 -0.733 2.817) 3.944 5.971 ( 3.832 0.119 -1.700) 4.194 6.137 ( -7.830 -1.279 0.808) 7.975 6.195 ( 1.564 2.442 -2.507) 3.833 6.212 ( -0.823 2.185 1.642) 2.854 6.353 ( -0.924 -0.118 2.017) 2.222 6.367 ( -5.469 3.449 0.395) 6.478 6.428 ( 0.106 3.697 -2.413) 4.416 6.533 ( -1.867 1.658 -6.158) 6.645 6.592 ( -1.102 -2.921 1.768) 3.588 6.649 ( -0.089 2.791 0.831) 2.913 6.722 ( 1.287 1.670 -3.936) 4.465 6.814 ( -1.046 -0.320 -0.198) 1.112 6.855 ( -0.328 0.374 -0.943) 1.066 6.883 ( -1.727 2.504 -0.085) 3.042 6.950 ( 1.713 0.063 -2.087) 2.701 7.007 ( -2.682 -3.678 -0.728) 4.610 7.029 ( 1.435 -1.316 2.636) 3.277 7.074 ( -1.531 3.333 -1.043) 3.813 7.178 ( 0.564 0.696 0.055) 0.897 7.254 ( 1.013 2.795 -0.136) 2.976 7.411 ( 1.923 -2.603 3.681) 4.901 7.989 ( -1.404 -2.696 1.319) 3.314 8.001 ( 0.574 -3.052 -0.959) 3.250 8.642 ( -3.972 6.529 -1.247) 7.743 8.718 ( -3.313 4.452 2.138) 5.948 9.139 ( -0.138 -0.364 -0.241) 0.458 9.165 ( 1.379 -0.340 -0.745) 1.604 9.250 ( -0.166 0.082 -0.051) 0.192 9.273 ( -1.824 0.263 0.250) 1.859 9.343 ( -2.350 -0.901 2.974) 3.896 9.454 ( -6.989 -5.047 -0.655) 8.646 9.607 ( 3.201 1.890 -0.343) 3.733 9.699 ( 9.057 0.076 1.902) 9.255 9.847 ( 1.301 -2.122 -3.144) 4.010 9.862 ( 0.866 2.024 -0.378) 2.234 9.923 ( 2.612 -2.899 -0.831) 3.989 10.119 ( 6.887 -5.670 -0.459) 8.932 ======================= Grid point 117 (55/60) ======================= q-point: ( 0.29 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 11.448 12.302 -1.441) 16.866 1.369 ( 11.212 14.919 -6.342) 19.711 1.584 ( 9.122 6.516 2.577) 11.503 1.847 ( -1.551 -0.705 0.318) 1.733 1.949 ( 2.562 1.984 1.553) 3.593 2.056 ( -0.447 5.340 6.716) 8.592 2.148 ( 0.948 7.232 5.980) 9.432 2.217 ( 5.467 1.253 -6.389) 8.502 2.263 ( 2.554 0.314 -1.782) 3.130 2.362 ( -3.861 0.220 1.693) 4.221 2.443 ( 1.429 0.164 0.009) 1.438 2.471 ( 3.111 0.695 -0.737) 3.272 2.620 ( 4.312 2.002 -2.491) 5.367 2.657 ( -5.930 5.584 1.871) 8.358 2.776 ( 3.466 -0.728 -7.076) 7.913 2.820 ( 4.714 6.645 -2.257) 8.454 2.891 ( -0.631 -2.746 -0.364) 2.841 2.943 ( -3.596 -4.497 -3.920) 6.965 2.989 ( -4.095 -6.002 -2.334) 7.632 3.077 ( 2.696 -5.374 -1.202) 6.131 3.140 ( -2.706 -2.507 -1.676) 4.051 3.186 ( -4.088 -5.067 3.050) 7.190 3.240 ( 1.346 -2.568 -0.215) 2.907 3.267 ( 2.279 -4.545 -0.878) 5.160 3.331 ( -3.903 -5.148 3.654) 7.422 3.356 ( -2.906 -1.173 0.217) 3.142 3.428 ( 0.757 -4.258 -1.856) 4.706 3.538 ( -0.252 -2.564 5.609) 6.172 3.561 ( 2.735 -7.052 1.366) 7.686 3.626 ( 0.289 -4.485 -1.772) 4.831 3.713 ( 0.055 -2.713 -5.400) 6.044 3.764 ( -0.363 -3.795 -3.227) 4.995 3.855 ( 3.317 -6.376 -0.473) 7.203 3.876 ( 1.145 1.235 0.817) 1.872 3.920 ( 1.972 -1.057 -2.643) 3.463 3.983 ( 3.867 -0.150 -2.048) 4.378 4.006 ( -1.868 -1.621 3.149) 4.004 4.054 ( 0.613 -1.616 2.329) 2.900 4.165 ( -0.173 -0.287 5.067) 5.078 4.222 ( 4.906 -0.074 5.508) 7.377 4.266 ( 2.030 0.081 0.968) 2.251 4.349 ( 2.107 1.066 -1.062) 2.589 4.383 ( 0.746 -0.158 -2.695) 2.801 4.436 ( 0.593 0.686 -0.938) 1.305 4.459 ( 5.220 2.228 1.747) 5.939 4.575 ( -1.010 -4.925 -2.382) 5.563 4.584 ( 2.282 -3.013 -0.411) 3.802 4.599 ( 2.676 2.676 -0.302) 3.797 4.625 ( 2.039 1.350 1.352) 2.794 4.687 ( 0.314 0.185 -0.139) 0.390 4.755 ( -3.325 0.976 -1.022) 3.613 4.788 ( -2.708 -1.407 -0.023) 3.051 4.838 ( -2.056 1.268 -0.341) 2.439 4.864 ( 0.089 -3.001 4.350) 5.285 4.869 ( -2.778 0.827 0.060) 2.899 4.924 ( 2.436 -5.449 3.240) 6.791 4.973 ( -5.621 -2.381 2.910) 6.763 5.015 ( -2.507 -0.285 -2.615) 3.634 5.098 ( -2.560 2.267 0.375) 3.440 5.180 ( 1.800 3.814 1.770) 4.574 5.212 ( 4.578 0.560 -3.786) 5.967 5.308 ( -1.483 -1.444 -1.260) 2.423 5.350 ( -2.787 4.671 -3.962) 6.729 5.378 ( -2.020 1.712 0.477) 2.690 5.431 ( -2.525 3.721 2.679) 5.235 5.536 ( 2.258 2.009 0.967) 3.173 5.596 ( -0.215 0.701 0.862) 1.132 5.719 ( -6.218 0.650 6.740) 9.193 5.775 ( 4.102 0.333 -2.578) 4.857 5.842 ( 1.108 0.292 4.992) 5.122 5.878 ( -3.895 0.241 1.758) 4.280 5.939 ( -5.573 -3.407 -0.497) 6.551 6.080 ( -3.006 2.199 3.440) 5.070 6.167 ( -3.536 1.360 -0.269) 3.798 6.207 ( -8.837 4.697 -3.534) 10.613 6.226 ( 2.696 3.942 0.112) 4.777 6.329 ( 3.411 1.079 -5.545) 6.599 6.401 ( 0.223 -1.277 0.923) 1.591 6.474 ( 1.492 0.749 -5.463) 5.713 6.606 ( 3.009 -1.276 -2.419) 4.067 6.670 ( -1.445 1.273 0.821) 2.093 6.698 ( 1.764 -0.810 -1.034) 2.200 6.792 ( -2.550 -0.309 -0.260) 2.582 6.841 ( -2.515 5.276 -0.032) 5.845 6.884 ( 2.130 -2.009 2.664) 3.958 6.919 ( -2.543 -1.086 -0.652) 2.841 6.968 ( 1.132 1.633 -2.028) 2.839 7.028 ( -2.432 1.352 0.302) 2.799 7.085 ( 0.569 -2.188 0.647) 2.352 7.143 ( -2.007 0.499 -1.860) 2.782 7.307 ( 2.821 1.979 1.035) 3.598 7.444 ( -0.988 -2.230 1.202) 2.719 7.982 ( -0.677 -2.328 0.997) 2.621 8.000 ( 0.078 -2.560 -0.356) 2.586 8.560 ( -3.941 6.613 -0.191) 7.701 8.645 ( -5.672 4.843 0.215) 7.461 9.151 ( 1.298 0.024 0.487) 1.386 9.192 ( 2.210 -0.305 -0.752) 2.354 9.237 ( -1.690 -0.823 0.401) 1.922 9.253 ( -1.017 -0.683 1.023) 1.596 9.311 ( -0.217 -0.183 -2.612) 2.628 9.380 ( -1.629 -3.607 1.808) 4.351 9.647 ( 2.061 2.871 0.841) 3.633 9.809 ( 1.337 1.738 -0.742) 2.315 9.861 ( -0.142 0.565 0.130) 0.597 9.904 ( 4.346 -2.072 -1.200) 4.962 10.034 ( 6.970 -6.215 3.953) 10.141 10.195 ( 3.902 -6.017 -2.759) 7.684 ======================= Grid point 118 (56/60) ======================= q-point: ( 0.43 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 6.943 8.835 -1.656) 11.359 1.552 ( 3.593 9.012 -1.572) 9.829 1.687 ( 6.284 3.435 -2.168) 7.483 1.868 ( -4.761 2.604 4.551) 7.083 1.916 ( 2.762 1.481 -0.337) 3.152 2.076 ( -4.788 -0.407 -2.451) 5.394 2.193 ( 3.659 4.027 3.954) 6.726 2.304 ( 0.322 5.948 9.180) 10.943 2.315 ( 7.315 4.534 -3.699) 9.367 2.390 ( -0.110 5.110 1.599) 5.356 2.450 ( -2.590 2.826 -0.616) 3.883 2.489 ( -1.272 6.785 -7.109) 9.909 2.529 ( -0.636 3.516 -0.458) 3.603 2.596 ( -5.993 3.972 0.285) 7.196 2.764 ( 2.959 -2.276 -5.632) 6.757 2.776 ( -3.382 -1.134 -0.577) 3.613 2.863 ( 1.261 -0.056 1.026) 1.627 2.898 ( 1.110 -5.045 -3.712) 6.361 3.023 ( 2.822 -5.875 0.803) 6.567 3.066 ( -2.784 -5.601 -0.138) 6.256 3.157 ( 1.781 -8.292 0.007) 8.481 3.207 ( 3.318 -9.045 1.166) 9.704 3.238 ( -4.003 -3.809 4.497) 7.124 3.283 ( 1.626 -1.198 1.704) 2.642 3.309 ( 1.385 -10.274 -1.846) 10.530 3.358 ( 1.058 -3.867 -0.594) 4.053 3.455 ( 2.434 -1.879 1.779) 3.553 3.531 ( -3.466 -0.913 -0.390) 3.605 3.617 ( 1.679 -3.881 -0.037) 4.229 3.640 ( 0.069 -5.811 -0.763) 5.861 3.716 ( 6.438 -1.858 -3.808) 7.708 3.758 ( 1.914 -1.210 3.141) 3.872 3.832 ( -2.941 -0.707 -0.467) 3.061 3.839 ( -3.712 -1.255 -1.494) 4.193 3.934 ( 5.339 -2.260 -3.504) 6.774 4.012 ( -3.449 -2.446 1.695) 4.556 4.022 ( 2.653 -0.802 0.411) 2.802 4.094 ( -3.184 -2.063 1.970) 4.275 4.187 ( 0.695 0.303 -2.035) 2.171 4.253 ( -6.538 5.740 -0.282) 8.705 4.347 ( 7.806 -0.056 2.112) 8.087 4.368 ( 3.940 0.373 2.593) 4.732 4.431 ( -1.474 0.503 1.865) 2.430 4.442 ( 5.878 -0.063 -2.473) 6.377 4.510 ( -4.457 0.966 -3.073) 5.500 4.530 ( -3.192 -3.501 0.091) 4.739 4.564 ( 0.387 0.446 1.170) 1.310 4.614 ( 0.409 1.564 2.292) 2.805 4.634 ( -1.084 -2.251 -2.219) 3.342 4.690 ( -0.229 -0.247 -1.926) 1.956 4.712 ( -0.984 -1.200 -0.982) 1.836 4.732 ( -0.022 -0.677 -2.155) 2.259 4.806 ( -2.150 1.382 2.014) 3.254 4.847 ( -0.984 1.950 0.983) 2.395 4.870 ( -2.150 -0.904 -1.563) 2.807 4.898 ( -6.570 -1.426 0.380) 6.734 4.992 ( 6.085 -1.051 5.476) 8.254 5.037 ( 3.079 0.601 0.746) 3.224 5.151 ( 2.640 0.593 3.992) 4.823 5.192 ( 2.234 -0.709 -4.557) 5.125 5.263 ( 2.768 5.112 1.210) 5.938 5.299 ( 0.348 1.905 -1.836) 2.669 5.310 ( -0.364 1.973 1.444) 2.472 5.354 ( -0.270 3.720 -0.638) 3.784 5.472 ( -1.420 0.585 2.981) 3.353 5.503 ( 2.226 0.626 3.342) 4.064 5.633 ( -8.571 0.803 -1.286) 8.704 5.675 ( -2.132 1.820 -2.158) 3.537 5.757 ( -1.395 -1.127 0.482) 1.857 5.775 ( 2.895 -1.460 1.256) 3.477 5.827 ( -3.647 -0.805 -0.687) 3.798 5.894 ( -4.433 -2.822 -0.773) 5.312 6.042 ( -0.923 3.543 -0.007) 3.661 6.089 ( -4.480 1.022 0.088) 4.596 6.132 ( 2.142 3.948 3.062) 5.435 6.223 ( -2.301 4.408 -3.453) 6.054 6.385 ( 5.299 -1.261 -2.488) 5.988 6.424 ( -1.017 -1.947 1.453) 2.633 6.519 ( 8.899 -0.598 -1.615) 9.064 6.628 ( 2.629 0.484 -3.244) 4.204 6.645 ( -2.376 1.429 1.603) 3.203 6.678 ( -5.393 -0.209 0.310) 5.406 6.764 ( 0.319 2.645 1.524) 3.070 6.798 ( -1.024 4.451 -1.854) 4.929 6.892 ( 0.343 -1.079 1.239) 1.678 6.942 ( -2.253 0.150 -0.745) 2.378 6.976 ( 1.988 -2.631 3.332) 4.688 7.023 ( 1.499 2.027 1.948) 3.186 7.052 ( -1.983 -2.983 -3.150) 4.770 7.086 ( -1.981 0.559 -2.300) 3.086 7.367 ( 2.792 0.553 0.723) 2.937 7.418 ( -2.303 -1.009 -0.035) 2.515 7.986 ( 0.025 -2.148 0.640) 2.241 7.995 ( -0.266 -2.204 -0.333) 2.244 8.516 ( -0.540 5.805 0.263) 5.836 8.552 ( -3.747 5.227 -0.657) 6.465 9.185 ( 1.173 0.418 0.873) 1.521 9.205 ( -0.124 0.247 -0.655) 0.711 9.231 ( 1.411 -1.384 -0.871) 2.160 9.244 ( -1.521 -1.106 1.632) 2.490 9.320 ( 2.903 -1.143 -1.372) 3.408 9.362 ( -2.700 -3.515 1.170) 4.584 9.706 ( 2.220 4.142 2.762) 5.452 9.777 ( -1.521 4.243 -3.415) 5.654 9.889 ( 1.227 -1.930 2.505) 3.392 9.927 ( 0.848 -2.069 -2.763) 3.554 10.166 ( 1.978 -6.908 4.453) 8.453 10.209 ( 1.551 -6.362 -3.411) 7.384 ======================= Grid point 122 (57/60) ======================= q-point: ( 0.00 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -1.127 8.354 -1.117) 8.503 1.368 ( 1.127 8.354 1.117) 8.503 1.642 ( -2.253 4.215 -4.048) 6.263 1.642 ( 2.253 4.215 4.048) 6.263 1.967 ( -3.007 2.970 -3.932) 5.773 1.967 ( 3.007 2.970 3.932) 5.773 2.054 ( 1.125 -3.914 -1.993) 4.534 2.054 ( -1.125 -3.914 1.993) 4.534 2.405 ( -2.283 -0.627 -2.736) 3.618 2.405 ( 2.283 -0.627 2.736) 3.618 2.552 ( -2.250 -0.804 -0.785) 2.515 2.552 ( 2.250 -0.804 0.785) 2.515 2.678 ( -1.833 -5.022 -4.178) 6.785 2.678 ( 1.833 -5.022 4.178) 6.785 2.822 ( -2.899 3.424 -0.808) 4.559 2.822 ( 2.899 3.424 0.808) 4.559 2.860 ( 0.591 3.390 -4.507) 5.670 2.860 ( -0.591 3.390 4.507) 5.670 2.938 ( 3.961 -0.249 -4.798) 6.227 2.938 ( -3.961 -0.249 4.798) 6.227 3.112 ( -0.495 -2.405 -1.252) 2.756 3.112 ( 0.495 -2.405 1.252) 2.756 3.222 ( -1.517 -3.132 -2.629) 4.362 3.222 ( 1.517 -3.132 2.629) 4.362 3.314 ( 1.008 1.165 -2.580) 3.005 3.314 ( -1.008 1.165 2.580) 3.005 3.554 ( -3.108 0.769 -0.831) 3.308 3.554 ( 3.108 0.769 0.831) 3.308 3.586 ( -1.659 -1.372 -0.837) 2.309 3.586 ( 1.659 -1.372 0.837) 2.309 3.740 ( -1.001 -1.753 -0.634) 2.116 3.740 ( 1.001 -1.753 0.634) 2.116 3.759 ( 0.541 -2.288 -0.737) 2.464 3.759 ( -0.541 -2.288 0.737) 2.464 3.904 ( 0.206 2.331 -4.774) 5.317 3.904 ( -0.206 2.331 4.774) 5.317 3.996 ( 2.204 -0.621 -10.459) 10.707 3.996 ( -2.204 -0.621 10.459) 10.707 4.066 ( 3.158 -1.407 -2.537) 4.288 4.066 ( -3.158 -1.407 2.537) 4.288 4.159 ( -1.902 -1.624 -3.086) 3.972 4.159 ( 1.902 -1.624 3.086) 3.972 4.350 ( 1.231 -0.890 -2.050) 2.551 4.350 ( -1.231 -0.890 2.050) 2.551 4.511 ( -0.269 4.080 -1.075) 4.228 4.511 ( 0.269 4.080 1.075) 4.228 4.605 ( -0.316 -2.321 -0.408) 2.377 4.605 ( 0.316 -2.321 0.408) 2.377 4.666 ( -2.627 0.587 -3.831) 4.682 4.666 ( 2.627 0.587 3.831) 4.682 4.712 ( -1.779 -1.640 -3.846) 4.544 4.712 ( 1.779 -1.640 3.846) 4.544 4.792 ( 1.661 -5.148 -3.515) 6.451 4.792 ( -1.661 -5.148 3.515) 6.451 4.893 ( 0.512 -1.073 -0.871) 1.474 4.893 ( -0.512 -1.073 0.871) 1.474 5.050 ( -0.487 0.144 -0.364) 0.625 5.050 ( 0.487 0.144 0.364) 0.625 5.104 ( 0.248 0.167 -1.419) 1.451 5.104 ( -0.248 0.167 1.419) 1.451 5.324 ( -1.308 2.708 -5.506) 6.274 5.324 ( 1.308 2.708 5.506) 6.274 5.386 ( 0.161 -3.383 -3.807) 5.095 5.386 ( -0.161 -3.383 3.807) 5.095 5.560 ( -0.297 2.391 -1.475) 2.825 5.560 ( 0.297 2.391 1.475) 2.825 5.694 ( 1.394 4.431 -2.422) 5.238 5.694 ( -1.394 4.431 2.422) 5.238 5.795 ( -6.457 1.992 1.730) 6.975 5.795 ( 6.457 1.992 -1.730) 6.975 5.892 ( 2.277 -4.363 -2.424) 5.486 5.892 ( -2.277 -4.363 2.424) 5.486 6.185 ( 0.760 0.218 -1.154) 1.399 6.185 ( -0.760 0.218 1.154) 1.399 6.355 ( -0.767 2.313 -2.440) 3.448 6.355 ( 0.767 2.313 2.440) 3.448 6.443 ( -0.626 -0.313 -0.497) 0.859 6.443 ( 0.626 -0.313 0.497) 0.859 6.577 ( 1.463 0.107 -1.356) 1.998 6.577 ( -1.463 0.107 1.356) 1.998 6.767 ( -1.834 3.302 -1.336) 4.007 6.767 ( 1.834 3.302 1.336) 4.007 6.827 ( -2.345 -2.709 -1.301) 3.812 6.827 ( 2.345 -2.709 1.301) 3.812 6.942 ( 1.422 1.979 -0.962) 2.620 6.942 ( -1.422 1.979 0.962) 2.620 6.980 ( 0.228 -2.054 -1.959) 2.848 6.980 ( -0.228 -2.054 1.959) 2.848 7.180 ( -0.580 1.995 -1.260) 2.430 7.180 ( 0.580 1.995 1.260) 2.430 7.291 ( -0.855 -0.869 -1.715) 2.104 7.291 ( 0.855 -0.869 1.715) 2.104 7.964 ( 0.472 -0.727 -0.566) 1.035 7.964 ( -0.472 -0.727 0.566) 1.035 8.771 ( -0.421 1.218 -0.694) 1.464 8.771 ( 0.421 1.218 0.694) 1.464 9.153 ( 0.325 0.108 -0.201) 0.397 9.153 ( -0.325 0.108 0.201) 0.397 9.269 ( -0.169 -0.080 -1.139) 1.154 9.269 ( 0.169 -0.080 1.139) 1.154 9.413 ( -2.888 0.237 -0.642) 2.968 9.413 ( 2.888 0.237 0.642) 2.968 9.587 ( -1.255 -0.377 0.251) 1.334 9.587 ( 1.255 -0.377 -0.251) 1.334 9.873 ( -1.858 0.342 -2.398) 3.053 9.873 ( 1.858 0.342 2.398) 3.053 9.909 ( -3.681 -2.014 -3.169) 5.258 9.909 ( 3.681 -2.014 3.169) 5.258 ======================= Grid point 124 (58/60) ======================= q-point: ( 0.14 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 7.281 11.113 2.134) 13.456 1.518 ( 11.074 8.634 -0.483) 14.050 1.644 ( 5.034 3.096 0.229) 5.915 1.780 ( 7.133 0.299 2.855) 7.689 1.867 ( -2.191 5.978 -4.925) 8.049 2.075 ( 3.590 4.513 5.911) 8.257 2.108 ( 3.097 -5.709 -0.731) 6.536 2.146 ( 5.715 -4.039 4.662) 8.409 2.314 ( 0.275 1.050 -3.750) 3.904 2.336 ( -4.589 -1.610 -2.901) 5.663 2.436 ( -4.866 -3.108 -3.615) 6.812 2.474 ( -1.574 -4.571 2.121) 5.280 2.633 ( -2.697 2.501 -4.667) 5.942 2.684 ( -3.835 0.416 -2.722) 4.721 2.815 ( -1.139 1.808 -0.519) 2.199 2.862 ( -0.138 0.529 3.459) 3.501 2.881 ( 1.897 4.917 -2.705) 5.924 2.911 ( 3.502 1.528 1.669) 4.169 2.973 ( 2.891 -3.737 -1.992) 5.127 3.027 ( 4.874 -5.690 3.854) 8.425 3.095 ( -1.648 -1.189 0.945) 2.241 3.106 ( 0.256 -2.011 0.687) 2.141 3.203 ( 0.784 -0.231 -1.214) 1.463 3.262 ( 0.512 -4.704 -2.214) 5.224 3.334 ( -0.968 2.525 1.409) 3.050 3.344 ( 2.872 1.152 1.261) 3.341 3.452 ( -6.907 1.070 0.470) 7.005 3.492 ( -5.334 -1.387 -1.361) 5.677 3.580 ( -5.384 0.262 -2.525) 5.953 3.591 ( -3.800 -1.140 -1.516) 4.247 3.670 ( 2.563 -0.821 0.310) 2.709 3.690 ( 1.672 -3.996 1.084) 4.465 3.794 ( 3.028 -0.154 -3.587) 4.697 3.825 ( 3.102 -3.047 -0.732) 4.409 3.880 ( 3.471 4.003 -6.000) 8.004 3.942 ( 2.901 -0.124 -2.628) 3.916 3.968 ( 2.336 -0.018 -1.908) 3.017 4.024 ( -0.589 -4.074 -4.419) 6.039 4.064 ( 0.268 -1.976 4.262) 4.706 4.075 ( 0.494 -3.005 4.871) 5.745 4.213 ( 5.641 4.981 4.512) 8.774 4.269 ( 5.147 -0.646 2.418) 5.724 4.398 ( 0.738 -0.611 3.614) 3.738 4.411 ( 3.174 -0.559 1.737) 3.662 4.482 ( -0.585 3.525 1.169) 3.759 4.506 ( -0.727 2.678 -0.010) 2.775 4.574 ( 0.117 0.346 -3.877) 3.894 4.595 ( -1.589 -2.325 -0.571) 2.873 4.632 ( -0.368 -1.332 0.106) 1.386 4.659 ( 1.242 -6.953 0.376) 7.073 4.715 ( -2.271 1.903 0.329) 2.981 4.763 ( 0.110 -2.391 1.038) 2.609 4.776 ( -0.059 -2.463 0.471) 2.508 4.801 ( -0.773 -0.946 4.207) 4.381 4.868 ( -1.647 -1.864 -0.913) 2.650 4.872 ( -1.233 -2.329 0.061) 2.636 5.041 ( -2.740 0.145 0.908) 2.890 5.050 ( -0.611 -1.171 2.194) 2.561 5.091 ( 0.105 3.709 1.769) 4.111 5.163 ( 1.503 -2.874 1.894) 3.756 5.246 ( 0.655 4.660 -5.814) 7.480 5.333 ( -0.438 -3.397 -3.734) 5.067 5.395 ( 0.415 1.533 1.837) 2.428 5.426 ( 0.861 -1.569 0.660) 1.907 5.563 ( 1.846 4.229 0.365) 4.629 5.602 ( 0.603 1.329 2.369) 2.783 5.643 ( -7.002 2.142 -1.030) 7.394 5.698 ( -3.717 -1.905 5.549) 6.946 5.743 ( 2.662 6.446 0.278) 6.980 5.837 ( -0.518 -1.434 -2.287) 2.749 5.891 ( 3.304 0.564 0.641) 3.412 5.943 ( 2.865 -2.995 -3.022) 5.130 6.137 ( -3.916 1.643 0.870) 4.335 6.180 ( -0.895 -2.071 -0.971) 2.456 6.297 ( -3.176 4.266 0.490) 5.341 6.353 ( -3.200 -0.838 2.136) 3.937 6.409 ( -3.480 1.769 1.167) 4.074 6.464 ( 0.593 -1.942 2.250) 3.031 6.530 ( -4.038 1.332 -2.246) 4.809 6.567 ( 0.083 -0.710 -4.962) 5.013 6.709 ( -0.312 2.698 -2.258) 3.532 6.740 ( -2.134 -0.229 -3.252) 3.897 6.812 ( 0.973 0.568 -1.186) 1.636 6.841 ( -0.861 -1.769 -0.708) 2.091 6.919 ( -1.687 1.347 0.639) 2.251 6.939 ( -1.696 -0.793 0.162) 1.879 6.979 ( 1.915 0.568 -0.711) 2.120 7.001 ( 1.447 -1.408 0.416) 2.062 7.144 ( -2.423 3.128 0.244) 3.964 7.183 ( -1.517 -0.723 0.119) 1.684 7.303 ( 2.090 2.267 0.712) 3.164 7.352 ( 2.315 -2.923 2.001) 4.231 7.960 ( -0.485 -0.406 0.551) 0.838 7.966 ( 0.216 -0.901 -0.127) 0.935 8.733 ( -3.186 2.844 -0.254) 4.278 8.760 ( -2.748 0.138 0.743) 2.849 9.145 ( -0.116 0.815 0.119) 0.831 9.159 ( 0.802 -0.424 -0.170) 0.923 9.259 ( -0.704 0.794 0.179) 1.076 9.275 ( -1.681 -0.467 0.940) 1.982 9.333 ( -3.695 0.462 1.354) 3.962 9.369 ( -5.785 -3.166 0.638) 6.625 9.660 ( 5.201 3.011 -0.431) 6.026 9.702 ( 9.309 -0.699 1.064) 9.396 9.818 ( -0.279 -0.208 -2.598) 2.621 9.847 ( 1.954 -2.653 -2.219) 3.972 9.930 ( 1.660 3.324 0.588) 3.761 10.013 ( 4.436 -4.980 0.628) 6.699 ======================= Grid point 125 (59/60) ======================= q-point: ( 0.29 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 6.429 10.218 -1.794) 12.205 1.681 ( 8.242 8.251 -0.532) 11.674 1.730 ( 3.113 6.942 -1.350) 7.726 1.833 ( 1.232 4.253 1.033) 4.547 1.906 ( 4.157 -5.350 1.269) 6.893 2.085 ( -2.115 -11.573 -3.216) 12.196 2.176 ( 2.872 6.386 3.059) 7.641 2.276 ( 4.525 5.422 2.592) 7.523 2.329 ( 0.927 -1.294 -2.682) 3.119 2.353 ( 2.907 3.905 3.232) 5.844 2.449 ( 7.965 1.452 2.298) 8.416 2.536 ( 3.954 -3.199 6.490) 8.246 2.589 ( 3.433 -0.550 -3.328) 4.813 2.647 ( 5.359 -3.085 -5.979) 8.601 2.794 ( 0.394 -0.937 -1.025) 1.443 2.831 ( -4.072 -1.105 2.169) 4.744 2.844 ( -2.601 1.390 -2.816) 4.077 2.889 ( -3.499 -1.935 -4.641) 6.126 2.969 ( -2.772 -0.113 0.912) 2.920 2.988 ( -5.476 -3.483 -0.870) 6.548 3.093 ( -6.213 1.744 -2.357) 6.870 3.140 ( -4.493 -0.282 -1.696) 4.811 3.195 ( 2.595 -1.882 1.085) 3.384 3.213 ( 0.004 -4.053 -0.861) 4.143 3.298 ( -4.901 1.604 0.947) 5.243 3.328 ( -7.581 -1.823 0.161) 7.798 3.396 ( 3.483 -0.038 -0.328) 3.499 3.426 ( 4.699 -4.380 1.104) 6.518 3.534 ( -0.073 0.598 1.440) 1.561 3.553 ( -0.713 -1.808 -0.557) 2.022 3.692 ( 2.137 0.500 -3.687) 4.291 3.727 ( 2.947 -2.647 -1.552) 4.255 3.778 ( 2.236 3.104 -4.528) 5.928 3.876 ( 1.914 -2.936 -0.768) 3.588 3.931 ( 3.814 1.770 -4.343) 6.045 3.958 ( 4.038 -1.119 -5.079) 6.585 3.982 ( -0.388 -0.674 1.556) 1.739 4.009 ( 1.760 -2.814 3.293) 4.675 4.132 ( 2.811 -1.618 1.530) 3.586 4.151 ( 5.790 -4.027 2.374) 7.442 4.301 ( -1.293 1.753 1.712) 2.771 4.341 ( 0.865 -1.646 2.842) 3.396 4.429 ( -1.227 1.103 0.220) 1.664 4.458 ( 1.724 -1.233 0.051) 2.120 4.487 ( -2.054 3.635 0.354) 4.190 4.525 ( 2.493 3.330 -2.418) 4.811 4.566 ( 1.384 -0.418 -1.603) 2.159 4.646 ( 4.722 2.162 3.703) 6.378 4.662 ( -3.538 -6.364 3.691) 8.164 4.684 ( 0.533 1.313 1.023) 1.748 4.693 ( 1.260 -1.472 1.198) 2.278 4.756 ( -1.033 -1.814 3.114) 3.749 4.815 ( 1.328 0.711 -0.622) 1.630 4.830 ( 0.173 -0.162 -1.110) 1.135 4.834 ( 5.010 -2.300 5.741) 7.959 4.877 ( -0.215 -2.174 1.410) 2.600 4.959 ( -3.898 1.916 -3.207) 5.399 5.012 ( -3.394 -2.609 -2.416) 4.916 5.156 ( 1.858 4.097 2.420) 5.109 5.221 ( 1.707 -1.355 3.141) 3.823 5.240 ( 1.710 3.235 -1.658) 4.017 5.290 ( -0.063 -1.181 -0.814) 1.436 5.383 ( -0.366 0.179 -0.788) 0.888 5.397 ( -2.336 -0.530 -3.815) 4.505 5.536 ( -5.450 6.392 5.535) 10.060 5.581 ( -3.455 3.793 -0.963) 5.220 5.632 ( 2.751 0.163 0.068) 2.757 5.673 ( -6.873 -4.732 6.923) 10.843 5.761 ( -1.284 -0.235 -2.195) 2.554 5.801 ( -1.247 -3.026 2.004) 3.838 5.901 ( -3.804 0.908 0.095) 3.912 5.913 ( -3.319 0.268 -1.605) 3.696 6.131 ( -0.322 2.291 2.138) 3.150 6.163 ( -1.750 -1.053 0.601) 2.130 6.270 ( 1.957 0.733 1.114) 2.368 6.275 ( -4.643 1.030 -0.571) 4.790 6.383 ( -0.546 4.213 -6.865) 8.073 6.420 ( -1.918 2.036 -1.580) 3.212 6.478 ( 0.524 0.211 -5.126) 5.157 6.537 ( 3.429 -4.414 2.602) 6.165 6.692 ( 0.150 0.063 -2.165) 2.171 6.697 ( 0.254 0.182 -1.736) 1.764 6.796 ( -1.486 1.148 0.804) 2.043 6.831 ( -0.713 -2.087 1.849) 2.878 6.913 ( -1.514 0.491 0.111) 1.596 6.914 ( -0.123 0.929 0.639) 1.134 6.990 ( 0.845 1.169 -1.980) 2.450 7.020 ( 0.957 -1.793 -1.654) 2.620 7.096 ( -3.530 2.486 0.521) 4.349 7.137 ( -2.923 -1.353 -0.822) 3.324 7.349 ( 1.716 2.204 1.070) 2.991 7.394 ( 0.621 -2.484 0.931) 2.724 7.960 ( -0.115 -0.134 0.410) 0.446 7.969 ( 0.041 -0.924 0.180) 0.942 8.659 ( -4.561 3.422 0.105) 5.703 8.692 ( -5.009 0.143 0.222) 5.016 9.162 ( 1.387 1.002 0.622) 1.821 9.183 ( 1.705 -0.799 0.037) 1.884 9.231 ( -2.567 0.174 0.943) 2.740 9.240 ( -2.382 -0.668 0.956) 2.653 9.305 ( -0.000 -0.166 -1.541) 1.550 9.320 ( -0.629 -1.947 0.423) 2.090 9.727 ( 2.617 4.810 1.369) 5.645 9.808 ( 1.873 -2.594 -0.128) 3.203 9.860 ( 4.340 0.832 0.287) 4.428 9.910 ( 3.072 -3.167 -0.291) 4.422 9.956 ( 3.423 3.669 -0.046) 5.018 10.070 ( 2.802 -6.482 -1.765) 7.278 ======================= Grid point 126 (60/60) ======================= q-point: ( 0.43 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 3.534 8.319 0.332) 9.044 1.712 ( -1.491 2.879 -1.592) 3.612 1.813 ( 4.927 9.886 -0.051) 11.046 1.910 ( 2.283 1.440 3.829) 4.685 1.930 ( -2.721 -1.080 -1.720) 3.395 1.982 ( -1.076 -6.509 -2.635) 7.104 2.321 ( 5.387 5.596 4.663) 9.059 2.382 ( 5.758 1.399 0.726) 5.970 2.406 ( 7.265 3.941 0.935) 8.318 2.474 ( 4.945 5.559 4.444) 8.666 2.494 ( -0.833 1.031 -1.086) 1.713 2.614 ( 1.502 -3.212 -5.827) 6.821 2.627 ( -0.389 6.997 0.104) 7.009 2.668 ( -2.578 1.774 -3.553) 4.735 2.711 ( -2.821 -0.728 -1.773) 3.410 2.733 ( -6.031 1.294 -1.003) 6.250 2.787 ( -2.275 -6.122 0.218) 6.534 2.813 ( -2.591 -2.769 -3.037) 4.859 2.937 ( 5.499 -1.596 1.212) 5.853 2.955 ( -3.126 -3.238 -0.272) 4.509 3.002 ( -2.735 -5.723 -2.819) 6.941 3.031 ( 0.269 -8.133 -0.182) 8.139 3.147 ( -6.059 -2.922 3.093) 7.403 3.164 ( -3.788 -4.076 0.589) 5.595 3.274 ( 0.633 0.571 4.044) 4.133 3.312 ( 0.989 -2.525 -0.105) 2.713 3.440 ( 1.360 -0.017 -0.986) 1.680 3.483 ( -1.303 -3.972 -1.928) 4.603 3.555 ( 0.267 -1.040 3.318) 3.488 3.564 ( 2.217 -1.630 -1.434) 3.103 3.749 ( 2.677 2.263 -2.466) 4.285 3.760 ( 5.859 2.085 0.468) 6.236 3.797 ( 0.052 -2.412 1.768) 2.991 3.809 ( -1.649 -2.114 -3.924) 4.752 3.942 ( 1.124 2.548 -0.171) 2.790 3.976 ( -0.716 -0.454 -1.687) 1.888 4.034 ( 2.647 0.412 1.025) 2.868 4.051 ( 2.376 -0.983 -2.768) 3.778 4.231 ( 5.959 3.289 2.059) 7.111 4.303 ( 5.067 -3.106 1.969) 6.261 4.337 ( 4.407 0.761 1.102) 4.606 4.388 ( 0.091 -2.918 3.596) 4.632 4.401 ( -3.360 5.087 1.426) 6.261 4.443 ( -1.218 -0.855 2.113) 2.585 4.474 ( 0.284 -3.132 -0.787) 3.241 4.516 ( -3.982 -2.818 -2.741) 5.596 4.541 ( 1.645 2.022 -2.969) 3.951 4.605 ( -4.331 -1.997 2.851) 5.556 4.654 ( 0.200 1.354 -0.884) 1.629 4.676 ( 1.625 -2.396 -3.216) 4.327 4.711 ( -3.307 2.841 -1.301) 4.550 4.729 ( -3.244 0.754 1.207) 3.543 4.815 ( 1.318 0.143 -0.031) 1.326 4.850 ( -0.282 -2.250 -1.926) 2.975 4.880 ( -2.246 1.418 -0.626) 2.728 4.898 ( -3.903 -0.064 -2.170) 4.466 4.983 ( 5.046 1.314 4.928) 7.175 5.022 ( 3.172 -1.850 1.783) 4.082 5.172 ( -1.246 1.010 -0.422) 1.659 5.189 ( 2.342 0.048 -2.743) 3.607 5.313 ( -0.197 1.261 3.534) 3.758 5.340 ( 0.832 -0.037 5.020) 5.089 5.349 ( 1.942 3.190 -0.694) 3.799 5.392 ( 1.182 -0.576 -1.854) 2.273 5.510 ( 0.920 3.827 -0.743) 4.006 5.551 ( 0.896 4.133 5.009) 6.556 5.612 ( -6.379 -3.336 1.874) 7.439 5.678 ( 0.813 -6.328 5.029) 8.124 5.718 ( -7.890 2.763 -4.482) 9.486 5.749 ( 0.860 0.376 -1.154) 1.487 5.818 ( -3.237 -0.851 -0.687) 3.417 5.837 ( -1.707 -2.595 -0.452) 3.138 6.102 ( -3.089 1.693 0.215) 3.529 6.107 ( -3.543 0.800 0.842) 3.728 6.212 ( 0.538 3.531 -1.615) 3.920 6.261 ( -2.407 -0.932 -4.661) 5.328 6.384 ( 4.731 1.205 -2.018) 5.282 6.408 ( 1.461 -0.586 0.363) 1.616 6.536 ( 5.359 2.934 1.233) 6.233 6.603 ( 0.265 -2.852 0.987) 3.030 6.677 ( 0.360 1.275 -1.781) 2.219 6.681 ( -0.426 0.457 -0.301) 0.694 6.805 ( 0.454 1.353 2.381) 2.776 6.838 ( -2.109 -2.244 2.716) 4.106 6.882 ( 0.351 2.470 -0.884) 2.647 6.926 ( -0.382 -1.888 -1.189) 2.264 6.965 ( -1.002 1.314 0.179) 1.661 6.997 ( -1.133 -2.031 -2.331) 3.293 7.052 ( -0.519 1.161 0.450) 1.349 7.079 ( -1.706 -1.214 -1.516) 2.585 7.384 ( 1.096 0.952 0.650) 1.591 7.401 ( -0.491 -0.782 0.242) 0.954 7.964 ( 0.165 -0.265 0.196) 0.368 7.969 ( -0.188 -0.671 0.035) 0.698 8.598 ( -1.746 2.471 0.129) 3.029 8.613 ( -3.034 1.033 -0.301) 3.219 9.194 ( 1.382 0.321 -0.156) 1.427 9.205 ( -0.041 -0.796 -0.024) 0.798 9.214 ( 0.453 0.290 0.265) 0.599 9.224 ( -1.167 -0.690 1.433) 1.973 9.302 ( 1.025 -0.422 -1.196) 1.630 9.311 ( -0.909 -1.491 0.453) 1.804 9.796 ( 2.215 4.386 3.138) 5.830 9.853 ( 1.373 -1.639 0.718) 2.256 9.869 ( 0.163 3.912 -2.836) 4.835 9.905 ( -0.889 -0.173 -1.100) 1.425 10.048 ( 2.597 -3.782 2.247) 5.108 10.083 ( 1.052 -5.844 -2.176) 6.324 =================== 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 3/21168 10.0 314.428 221.292 196.953 0.000 -4.431 0.000 3/21168 20.0 46.606 34.536 30.598 0.000 -3.911 0.000 3/21168 30.0 16.940 13.260 11.735 0.000 -1.361 0.000 3/21168 40.0 9.156 7.370 6.530 0.000 -0.719 0.000 3/21168 50.0 6.019 4.919 4.358 0.000 -0.464 0.000 3/21168 60.0 4.428 3.646 3.233 0.000 -0.335 0.000 3/21168 70.0 3.495 2.889 2.565 0.000 -0.260 0.000 3/21168 80.0 2.891 2.394 2.129 0.000 -0.211 0.000 3/21168 90.0 2.471 2.047 1.823 0.000 -0.177 0.000 3/21168 100.0 2.162 1.791 1.597 0.000 -0.153 0.000 3/21168 110.0 1.926 1.595 1.423 0.000 -0.134 0.000 3/21168 120.0 1.738 1.440 1.285 0.000 -0.119 0.000 3/21168 130.0 1.586 1.314 1.173 0.000 -0.107 0.000 3/21168 140.0 1.460 1.209 1.079 0.000 -0.097 0.000 3/21168 150.0 1.353 1.120 1.000 0.000 -0.089 0.000 3/21168 160.0 1.262 1.044 0.932 0.000 -0.082 0.000 3/21168 170.0 1.182 0.979 0.873 0.000 -0.076 0.000 3/21168 180.0 1.113 0.921 0.822 0.000 -0.071 0.000 3/21168 190.0 1.051 0.870 0.776 0.000 -0.067 0.000 3/21168 200.0 0.996 0.824 0.735 0.000 -0.063 0.000 3/21168 210.0 0.947 0.783 0.699 0.000 -0.059 0.000 3/21168 220.0 0.903 0.747 0.666 0.000 -0.056 0.000 3/21168 230.0 0.862 0.713 0.636 0.000 -0.053 0.000 3/21168 240.0 0.825 0.683 0.608 0.000 -0.051 0.000 3/21168 250.0 0.791 0.655 0.583 0.000 -0.049 0.000 3/21168 260.0 0.760 0.629 0.560 0.000 -0.047 0.000 3/21168 270.0 0.732 0.605 0.539 0.000 -0.045 0.000 3/21168 280.0 0.705 0.583 0.519 0.000 -0.043 0.000 3/21168 290.0 0.680 0.563 0.501 0.000 -0.041 0.000 3/21168 300.0 0.657 0.544 0.484 0.000 -0.040 0.000 3/21168 310.0 0.636 0.526 0.468 0.000 -0.038 0.000 3/21168 320.0 0.616 0.509 0.453 0.000 -0.037 0.000 3/21168 330.0 0.597 0.494 0.439 0.000 -0.036 0.000 3/21168 340.0 0.579 0.479 0.426 0.000 -0.035 0.000 3/21168 350.0 0.563 0.465 0.414 0.000 -0.034 0.000 3/21168 360.0 0.547 0.452 0.402 0.000 -0.033 0.000 3/21168 370.0 0.532 0.440 0.391 0.000 -0.032 0.000 3/21168 380.0 0.518 0.428 0.381 0.000 -0.031 0.000 3/21168 390.0 0.505 0.417 0.371 0.000 -0.030 0.000 3/21168 400.0 0.492 0.407 0.362 0.000 -0.029 0.000 3/21168 410.0 0.480 0.397 0.353 0.000 -0.028 0.000 3/21168 420.0 0.468 0.387 0.344 0.000 -0.028 0.000 3/21168 430.0 0.457 0.378 0.336 0.000 -0.027 0.000 3/21168 440.0 0.447 0.369 0.329 0.000 -0.026 0.000 3/21168 450.0 0.437 0.361 0.321 0.000 -0.026 0.000 3/21168 460.0 0.427 0.353 0.314 0.000 -0.025 0.000 3/21168 470.0 0.418 0.346 0.307 0.000 -0.025 0.000 3/21168 480.0 0.410 0.338 0.301 0.000 -0.024 0.000 3/21168 490.0 0.401 0.332 0.295 0.000 -0.024 0.000 3/21168 500.0 0.393 0.325 0.289 0.000 -0.023 0.000 3/21168 510.0 0.385 0.318 0.283 0.000 -0.023 0.000 3/21168 520.0 0.378 0.312 0.278 0.000 -0.022 0.000 3/21168 530.0 0.371 0.306 0.272 0.000 -0.022 0.000 3/21168 540.0 0.364 0.301 0.267 0.000 -0.021 0.000 3/21168 550.0 0.357 0.295 0.263 0.000 -0.021 0.000 3/21168 560.0 0.351 0.290 0.258 0.000 -0.021 0.000 3/21168 570.0 0.345 0.285 0.253 0.000 -0.020 0.000 3/21168 580.0 0.339 0.280 0.249 0.000 -0.020 0.000 3/21168 590.0 0.333 0.275 0.245 0.000 -0.019 0.000 3/21168 600.0 0.327 0.271 0.241 0.000 -0.019 0.000 3/21168 610.0 0.322 0.266 0.237 0.000 -0.019 0.000 3/21168 620.0 0.317 0.262 0.233 0.000 -0.018 0.000 3/21168 630.0 0.312 0.258 0.229 0.000 -0.018 0.000 3/21168 640.0 0.307 0.254 0.225 0.000 -0.018 0.000 3/21168 650.0 0.302 0.250 0.222 0.000 -0.018 0.000 3/21168 660.0 0.298 0.246 0.219 0.000 -0.017 0.000 3/21168 670.0 0.293 0.242 0.215 0.000 -0.017 0.000 3/21168 680.0 0.289 0.239 0.212 0.000 -0.017 0.000 3/21168 690.0 0.285 0.235 0.209 0.000 -0.017 0.000 3/21168 700.0 0.281 0.232 0.206 0.000 -0.016 0.000 3/21168 710.0 0.277 0.229 0.203 0.000 -0.016 0.000 3/21168 720.0 0.273 0.225 0.200 0.000 -0.016 0.000 3/21168 730.0 0.269 0.222 0.198 0.000 -0.016 0.000 3/21168 740.0 0.265 0.219 0.195 0.000 -0.015 0.000 3/21168 750.0 0.262 0.216 0.192 0.000 -0.015 0.000 3/21168 760.0 0.258 0.214 0.190 0.000 -0.015 0.000 3/21168 770.0 0.255 0.211 0.187 0.000 -0.015 0.000 3/21168 780.0 0.252 0.208 0.185 0.000 -0.015 0.000 3/21168 790.0 0.249 0.205 0.183 0.000 -0.014 0.000 3/21168 800.0 0.246 0.203 0.180 0.000 -0.014 0.000 3/21168 810.0 0.242 0.200 0.178 0.000 -0.014 0.000 3/21168 820.0 0.240 0.198 0.176 0.000 -0.014 0.000 3/21168 830.0 0.237 0.196 0.174 0.000 -0.014 0.000 3/21168 840.0 0.234 0.193 0.172 0.000 -0.014 0.000 3/21168 850.0 0.231 0.191 0.170 0.000 -0.013 0.000 3/21168 860.0 0.228 0.189 0.168 0.000 -0.013 0.000 3/21168 870.0 0.226 0.187 0.166 0.000 -0.013 0.000 3/21168 880.0 0.223 0.184 0.164 0.000 -0.013 0.000 3/21168 890.0 0.221 0.182 0.162 0.000 -0.013 0.000 3/21168 900.0 0.218 0.180 0.160 0.000 -0.013 0.000 3/21168 910.0 0.216 0.178 0.158 0.000 -0.013 0.000 3/21168 920.0 0.213 0.176 0.157 0.000 -0.012 0.000 3/21168 930.0 0.211 0.174 0.155 0.000 -0.012 0.000 3/21168 940.0 0.209 0.173 0.153 0.000 -0.012 0.000 3/21168 950.0 0.207 0.171 0.152 0.000 -0.012 0.000 3/21168 960.0 0.205 0.169 0.150 0.000 -0.012 0.000 3/21168 970.0 0.202 0.167 0.149 0.000 -0.012 0.000 3/21168 980.0 0.200 0.166 0.147 0.000 -0.012 0.000 3/21168 990.0 0.198 0.164 0.146 0.000 -0.011 0.000 3/21168 1000.0 0.196 0.162 0.144 0.000 -0.011 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:21:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|