----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:24:34]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.798492700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918195110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.583349310000000 Atomic positions (fractional): *1 O 0.72903522210294 0.36784189322883 0.74018053565616 15.999 2 O 0.27096477789706 0.63215810677117 0.74018053565616 15.999 3 O 0.22903522210294 0.13215810677117 0.75981946434384 15.999 4 O 0.77096477789706 0.86784189322883 0.75981946434384 15.999 5 O 0.27096477789706 0.63215810677117 0.25981946434384 15.999 6 O 0.72903522210294 0.36784189322883 0.25981946434384 15.999 7 O 0.77096477789706 0.86784189322883 0.24018053565616 15.999 8 O 0.22903522210294 0.13215810677117 0.24018053565616 15.999 *9 O 0.39745943279441 0.90078775485314 0.50000000000000 15.999 10 O 0.60254056720559 0.09921224514686 0.50000000000000 15.999 11 O 0.89745943279441 0.59921224514686 0.00000000000000 15.999 12 O 0.10254056720559 0.40078775485314 0.00000000000000 15.999 *13 O 0.42352298568498 0.36227708894563 0.50000000000000 15.999 14 O 0.57647701431502 0.63772291105437 0.50000000000000 15.999 15 O 0.92352298568498 0.13772291105437 0.00000000000000 15.999 16 O 0.07647701431502 0.86227708894563 0.00000000000000 15.999 *17 O 0.42496209648117 0.36192054525407 0.00000000000000 15.999 18 O 0.57503790351883 0.63807945474593 0.00000000000000 15.999 19 O 0.92496209648117 0.13807945474593 0.50000000000000 15.999 20 O 0.07503790351883 0.86192054525407 0.50000000000000 15.999 *21 Al 0.00000000000000 0.00000000000000 0.24225172237841 26.982 22 Al 0.50000000000000 0.50000000000000 0.25774827762159 26.982 23 Al 0.00000000000000 0.00000000000000 0.75774827762159 26.982 24 Al 0.50000000000000 0.50000000000000 0.74225172237841 26.982 *25 Al 0.13017765487883 0.63849654968337 0.00000000000000 26.982 26 Al 0.86982234512117 0.36150345031663 0.00000000000000 26.982 27 Al 0.63017765487883 0.86150345031663 0.50000000000000 26.982 28 Al 0.36982234512117 0.13849654968337 0.50000000000000 26.982 *29 Si 0.24515859659102 0.25070551635697 0.00000000000000 28.085 30 Si 0.75484140340898 0.74929448364303 0.00000000000000 28.085 31 Si 0.74515859659102 0.24929448364303 0.50000000000000 28.085 32 Si 0.25484140340898 0.75070551635697 0.50000000000000 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.798492700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918195110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.583349310000000 Atomic positions (fractional): *1 O 0.72903522210294 0.36784189322883 0.74018053565616 15.999 > 1 2 O 0.27096477789706 0.63215810677117 0.74018053565616 15.999 > 2 3 O 0.22903522210294 0.13215810677117 0.75981946434384 15.999 > 3 4 O 0.77096477789706 0.86784189322883 0.75981946434384 15.999 > 4 5 O 0.27096477789706 0.63215810677117 0.25981946434384 15.999 > 5 6 O 0.72903522210294 0.36784189322883 0.25981946434384 15.999 > 6 7 O 0.77096477789706 0.86784189322883 0.24018053565616 15.999 > 7 8 O 0.22903522210294 0.13215810677117 0.24018053565616 15.999 > 8 *9 O 0.39745943279441 0.90078775485314 0.50000000000000 15.999 > 9 10 O 0.60254056720559 0.09921224514686 0.50000000000000 15.999 > 10 11 O 0.89745943279441 0.59921224514686 0.00000000000000 15.999 > 11 12 O 0.10254056720559 0.40078775485314 0.00000000000000 15.999 > 12 *13 O 0.42352298568498 0.36227708894563 0.50000000000000 15.999 > 13 14 O 0.57647701431502 0.63772291105437 0.50000000000000 15.999 > 14 15 O 0.92352298568498 0.13772291105437 0.00000000000000 15.999 > 15 16 O 0.07647701431502 0.86227708894563 0.00000000000000 15.999 > 16 *17 O 0.42496209648117 0.36192054525407 0.00000000000000 15.999 > 17 18 O 0.57503790351883 0.63807945474593 0.00000000000000 15.999 > 18 19 O 0.92496209648117 0.13807945474593 0.50000000000000 15.999 > 19 20 O 0.07503790351883 0.86192054525407 0.50000000000000 15.999 > 20 *21 Al 0.00000000000000 0.00000000000000 0.24225172237841 26.982 > 21 22 Al 0.50000000000000 0.50000000000000 0.25774827762159 26.982 > 22 23 Al 0.00000000000000 0.00000000000000 0.75774827762159 26.982 > 23 24 Al 0.50000000000000 0.50000000000000 0.74225172237841 26.982 > 24 *25 Al 0.13017765487883 0.63849654968337 0.00000000000000 26.982 > 25 26 Al 0.86982234512117 0.36150345031663 0.00000000000000 26.982 > 26 27 Al 0.63017765487883 0.86150345031663 0.50000000000000 26.982 > 27 28 Al 0.36982234512117 0.13849654968337 0.50000000000000 26.982 > 28 *29 Si 0.24515859659102 0.25070551635697 0.00000000000000 28.085 > 29 30 Si 0.75484140340898 0.74929448364303 0.00000000000000 28.085 > 30 31 Si 0.74515859659102 0.24929448364303 0.50000000000000 28.085 > 31 32 Si 0.25484140340898 0.75070551635697 0.50000000000000 28.085 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.596985399999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918195110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.166698620000000 Atomic positions (fractional): *1 O 0.36451761105147 0.36784189322883 0.37009026782808 15.999 > 1 2 O 0.86451761105147 0.36784189322883 0.37009026782808 15.999 > 1 3 O 0.36451761105147 0.36784189322883 0.87009026782808 15.999 > 1 4 O 0.86451761105147 0.36784189322883 0.87009026782808 15.999 > 1 5 O 0.13548238894853 0.63215810677117 0.37009026782808 15.999 > 2 6 O 0.63548238894853 0.63215810677117 0.37009026782808 15.999 > 2 7 O 0.13548238894853 0.63215810677117 0.87009026782808 15.999 > 2 8 O 0.63548238894853 0.63215810677117 0.87009026782808 15.999 > 2 9 O 0.11451761105147 0.13215810677117 0.37990973217192 15.999 > 3 10 O 0.61451761105147 0.13215810677117 0.37990973217192 15.999 > 3 11 O 0.11451761105147 0.13215810677117 0.87990973217192 15.999 > 3 12 O 0.61451761105147 0.13215810677117 0.87990973217192 15.999 > 3 13 O 0.38548238894853 0.86784189322883 0.37990973217192 15.999 > 4 14 O 0.88548238894853 0.86784189322883 0.37990973217192 15.999 > 4 15 O 0.38548238894853 0.86784189322883 0.87990973217192 15.999 > 4 16 O 0.88548238894853 0.86784189322883 0.87990973217192 15.999 > 4 17 O 0.13548238894853 0.63215810677117 0.12990973217192 15.999 > 5 18 O 0.63548238894853 0.63215810677117 0.12990973217192 15.999 > 5 19 O 0.13548238894853 0.63215810677117 0.62990973217192 15.999 > 5 20 O 0.63548238894853 0.63215810677117 0.62990973217192 15.999 > 5 21 O 0.36451761105147 0.36784189322883 0.12990973217192 15.999 > 6 22 O 0.86451761105147 0.36784189322883 0.12990973217192 15.999 > 6 23 O 0.36451761105147 0.36784189322883 0.62990973217192 15.999 > 6 24 O 0.86451761105147 0.36784189322883 0.62990973217192 15.999 > 6 25 O 0.38548238894853 0.86784189322883 0.12009026782808 15.999 > 7 26 O 0.88548238894853 0.86784189322883 0.12009026782808 15.999 > 7 27 O 0.38548238894853 0.86784189322883 0.62009026782808 15.999 > 7 28 O 0.88548238894853 0.86784189322883 0.62009026782808 15.999 > 7 29 O 0.11451761105147 0.13215810677117 0.12009026782808 15.999 > 8 30 O 0.61451761105147 0.13215810677117 0.12009026782808 15.999 > 8 31 O 0.11451761105147 0.13215810677117 0.62009026782808 15.999 > 8 32 O 0.61451761105147 0.13215810677117 0.62009026782808 15.999 > 8 *33 O 0.19872971639721 0.90078775485314 0.25000000000000 15.999 > 9 34 O 0.69872971639721 0.90078775485314 0.25000000000000 15.999 > 9 35 O 0.19872971639721 0.90078775485314 0.75000000000000 15.999 > 9 36 O 0.69872971639721 0.90078775485314 0.75000000000000 15.999 > 9 37 O 0.30127028360279 0.09921224514686 0.25000000000000 15.999 > 10 38 O 0.80127028360279 0.09921224514686 0.25000000000000 15.999 > 10 39 O 0.30127028360279 0.09921224514686 0.75000000000000 15.999 > 10 40 O 0.80127028360279 0.09921224514686 0.75000000000000 15.999 > 10 41 O 0.44872971639721 0.59921224514686 0.00000000000000 15.999 > 11 42 O 0.94872971639721 0.59921224514686 0.00000000000000 15.999 > 11 43 O 0.44872971639721 0.59921224514686 0.50000000000000 15.999 > 11 44 O 0.94872971639721 0.59921224514686 0.50000000000000 15.999 > 11 45 O 0.05127028360279 0.40078775485314 0.00000000000000 15.999 > 12 46 O 0.55127028360279 0.40078775485314 0.00000000000000 15.999 > 12 47 O 0.05127028360279 0.40078775485314 0.50000000000000 15.999 > 12 48 O 0.55127028360279 0.40078775485314 0.50000000000000 15.999 > 12 *49 O 0.21176149284249 0.36227708894563 0.25000000000000 15.999 > 13 50 O 0.71176149284249 0.36227708894563 0.25000000000000 15.999 > 13 51 O 0.21176149284249 0.36227708894563 0.75000000000000 15.999 > 13 52 O 0.71176149284249 0.36227708894563 0.75000000000000 15.999 > 13 53 O 0.28823850715751 0.63772291105437 0.25000000000000 15.999 > 14 54 O 0.78823850715751 0.63772291105437 0.25000000000000 15.999 > 14 55 O 0.28823850715751 0.63772291105437 0.75000000000000 15.999 > 14 56 O 0.78823850715751 0.63772291105437 0.75000000000000 15.999 > 14 57 O 0.46176149284249 0.13772291105437 0.00000000000000 15.999 > 15 58 O 0.96176149284249 0.13772291105437 0.00000000000000 15.999 > 15 59 O 0.46176149284249 0.13772291105437 0.50000000000000 15.999 > 15 60 O 0.96176149284249 0.13772291105437 0.50000000000000 15.999 > 15 61 O 0.03823850715751 0.86227708894563 0.00000000000000 15.999 > 16 62 O 0.53823850715751 0.86227708894563 0.00000000000000 15.999 > 16 63 O 0.03823850715751 0.86227708894563 0.50000000000000 15.999 > 16 64 O 0.53823850715751 0.86227708894563 0.50000000000000 15.999 > 16 *65 O 0.21248104824058 0.36192054525407 0.00000000000000 15.999 > 17 66 O 0.71248104824058 0.36192054525407 0.00000000000000 15.999 > 17 67 O 0.21248104824058 0.36192054525407 0.50000000000000 15.999 > 17 68 O 0.71248104824058 0.36192054525407 0.50000000000000 15.999 > 17 69 O 0.28751895175942 0.63807945474593 0.00000000000000 15.999 > 18 70 O 0.78751895175942 0.63807945474593 0.00000000000000 15.999 > 18 71 O 0.28751895175942 0.63807945474593 0.50000000000000 15.999 > 18 72 O 0.78751895175942 0.63807945474593 0.50000000000000 15.999 > 18 73 O 0.46248104824058 0.13807945474593 0.25000000000000 15.999 > 19 74 O 0.96248104824058 0.13807945474593 0.25000000000000 15.999 > 19 75 O 0.46248104824058 0.13807945474593 0.75000000000000 15.999 > 19 76 O 0.96248104824058 0.13807945474593 0.75000000000000 15.999 > 19 77 O 0.03751895175942 0.86192054525407 0.25000000000000 15.999 > 20 78 O 0.53751895175942 0.86192054525407 0.25000000000000 15.999 > 20 79 O 0.03751895175942 0.86192054525407 0.75000000000000 15.999 > 20 80 O 0.53751895175942 0.86192054525407 0.75000000000000 15.999 > 20 *81 Al 0.00000000000000 0.00000000000000 0.12112586118920 26.982 > 21 82 Al 0.50000000000000 0.00000000000000 0.12112586118920 26.982 > 21 83 Al 0.00000000000000 0.00000000000000 0.62112586118920 26.982 > 21 84 Al 0.50000000000000 0.00000000000000 0.62112586118920 26.982 > 21 85 Al 0.25000000000000 0.50000000000000 0.12887413881080 26.982 > 22 86 Al 0.75000000000000 0.50000000000000 0.12887413881080 26.982 > 22 87 Al 0.25000000000000 0.50000000000000 0.62887413881080 26.982 > 22 88 Al 0.75000000000000 0.50000000000000 0.62887413881080 26.982 > 22 89 Al 0.00000000000000 0.00000000000000 0.37887413881080 26.982 > 23 90 Al 0.50000000000000 0.00000000000000 0.37887413881080 26.982 > 23 91 Al 0.00000000000000 0.00000000000000 0.87887413881080 26.982 > 23 92 Al 0.50000000000000 0.00000000000000 0.87887413881080 26.982 > 23 93 Al 0.25000000000000 0.50000000000000 0.37112586118920 26.982 > 24 94 Al 0.75000000000000 0.50000000000000 0.37112586118920 26.982 > 24 95 Al 0.25000000000000 0.50000000000000 0.87112586118920 26.982 > 24 96 Al 0.75000000000000 0.50000000000000 0.87112586118920 26.982 > 24 *97 Al 0.06508882743941 0.63849654968337 0.00000000000000 26.982 > 25 98 Al 0.56508882743941 0.63849654968337 0.00000000000000 26.982 > 25 99 Al 0.06508882743941 0.63849654968337 0.50000000000000 26.982 > 25 100 Al 0.56508882743941 0.63849654968337 0.50000000000000 26.982 > 25 101 Al 0.43491117256059 0.36150345031663 0.00000000000000 26.982 > 26 102 Al 0.93491117256059 0.36150345031663 0.00000000000000 26.982 > 26 103 Al 0.43491117256059 0.36150345031663 0.50000000000000 26.982 > 26 104 Al 0.93491117256059 0.36150345031663 0.50000000000000 26.982 > 26 105 Al 0.31508882743941 0.86150345031663 0.25000000000000 26.982 > 27 106 Al 0.81508882743941 0.86150345031663 0.25000000000000 26.982 > 27 107 Al 0.31508882743941 0.86150345031663 0.75000000000000 26.982 > 27 108 Al 0.81508882743941 0.86150345031663 0.75000000000000 26.982 > 27 109 Al 0.18491117256059 0.13849654968337 0.25000000000000 26.982 > 28 110 Al 0.68491117256059 0.13849654968337 0.25000000000000 26.982 > 28 111 Al 0.18491117256059 0.13849654968337 0.75000000000000 26.982 > 28 112 Al 0.68491117256059 0.13849654968337 0.75000000000000 26.982 > 28 *113 Si 0.12257929829551 0.25070551635697 0.00000000000000 28.085 > 29 114 Si 0.62257929829551 0.25070551635697 0.00000000000000 28.085 > 29 115 Si 0.12257929829551 0.25070551635697 0.50000000000000 28.085 > 29 116 Si 0.62257929829551 0.25070551635697 0.50000000000000 28.085 > 29 117 Si 0.37742070170449 0.74929448364303 0.00000000000000 28.085 > 30 118 Si 0.87742070170449 0.74929448364303 0.00000000000000 28.085 > 30 119 Si 0.37742070170449 0.74929448364303 0.50000000000000 28.085 > 30 120 Si 0.87742070170449 0.74929448364303 0.50000000000000 28.085 > 30 121 Si 0.37257929829551 0.24929448364303 0.25000000000000 28.085 > 31 122 Si 0.87257929829551 0.24929448364303 0.25000000000000 28.085 > 31 123 Si 0.37257929829551 0.24929448364303 0.75000000000000 28.085 > 31 124 Si 0.87257929829551 0.24929448364303 0.75000000000000 28.085 > 31 125 Si 0.12742070170449 0.75070551635697 0.25000000000000 28.085 > 32 126 Si 0.62742070170449 0.75070551635697 0.25000000000000 28.085 > 32 127 Si 0.12742070170449 0.75070551635697 0.75000000000000 28.085 > 32 128 Si 0.62742070170449 0.75070551635697 0.75000000000000 28.085 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8479607 0.0000000 0.0000000 0.0000000 2.8178732 0.0000000 0.0000000 0.0000000 2.7939889 -------------------------- Born effective charges -------------------------- 1 O -1.7278020 0.3090918 -0.3382967 0.3702194 -1.5951439 -0.4379309 -0.2783125 -0.3965055 -2.0505198 2 O -1.7278020 0.3090918 0.3382967 0.3702194 -1.5951439 0.4379309 0.2783125 0.3965055 -2.0505198 3 O -1.7278020 -0.3090918 0.3382967 -0.3702194 -1.5951439 -0.4379309 0.2783125 -0.3965055 -2.0505198 4 O -1.7278020 -0.3090918 -0.3382967 -0.3702194 -1.5951439 0.4379309 -0.2783125 0.3965055 -2.0505198 5 O -1.7278020 0.3090918 -0.3382967 0.3702194 -1.5951439 -0.4379309 -0.2783125 -0.3965055 -2.0505198 6 O -1.7278020 0.3090918 0.3382967 0.3702194 -1.5951439 0.4379309 0.2783125 0.3965055 -2.0505198 7 O -1.7278020 -0.3090918 0.3382967 -0.3702194 -1.5951439 -0.4379309 0.2783125 -0.3965055 -2.0505198 8 O -1.7278020 -0.3090918 -0.3382967 -0.3702194 -1.5951439 0.4379309 -0.2783125 0.3965055 -2.0505198 9 O -2.0804366 -0.1490730 0.0000000 -0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 10 O -2.0804366 -0.1490730 0.0000000 -0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 11 O -2.0804366 0.1490730 0.0000000 0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 12 O -2.0804366 0.1490730 0.0000000 0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 13 O -1.5786529 -0.1895422 0.0000000 -0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 14 O -1.5786529 -0.1895422 0.0000000 -0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 15 O -1.5786529 0.1895422 0.0000000 0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 16 O -1.5786529 0.1895422 0.0000000 0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 17 O -1.8839365 -0.7236271 0.0000000 -0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 18 O -1.8839365 -0.7236271 0.0000000 -0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 19 O -1.8839365 0.7236271 0.0000000 0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 20 O -1.8839365 0.7236271 0.0000000 0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 21 Al 2.8938461 0.0346322 0.0000000 0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 22 Al 2.8938461 -0.0346322 0.0000000 -0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 23 Al 2.8938461 0.0346322 0.0000000 0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 24 Al 2.8938461 -0.0346322 0.0000000 -0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 25 Al 2.9080560 -0.1841699 0.0000000 -0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 26 Al 2.9080560 -0.1841699 0.0000000 -0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 27 Al 2.9080560 0.1841699 0.0000000 0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 28 Al 2.9080560 0.1841699 0.0000000 0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 29 Si 3.1967280 0.3546365 0.0000000 0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 30 Si 3.1967280 0.3546365 0.0000000 0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 31 Si 3.1967280 -0.3546365 0.0000000 -0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 32 Si 3.1967280 -0.3546365 0.0000000 -0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2476 Number of blocks in projector: 2476 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: 616 Use submatrix version of eigh solver. (1) Block: 500 / 616 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 616 / 616 (1) 108 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 348 Use standard eigh solver. Tree of FC basis block matrices: - (2476, 2437), data: False |-- (348, 341), data: True |-- (348, 341), data: True |-- (348, 341), data: True |-- (408, 406), data: True |-- (408, 406), data: True |-- (616, 602), data: False |-- (616, 8), data: (616, 22) @ (22, 8) |-- (116, 108), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 480 - Time: 0.955 Solver_block: 200 / 480 - Time: 0.829 Solver_block: 300 / 480 - Time: 0.991 Solver_block: 400 / 480 - Time: 1.079 Solver_block: 480 / 480 - Time: 0.884 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.161 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2476 Number of blocks in projector: 2476 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: 616 Use submatrix version of eigh solver. (1) Block: 500 / 616 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 616 / 616 (1) 108 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 348 Use standard eigh solver. Tree of FC basis block matrices: - (2476, 2437), data: False |-- (348, 341), data: True |-- (348, 341), data: True |-- (348, 341), data: True |-- (408, 406), data: True |-- (408, 406), data: True |-- (616, 602), data: False |-- (616, 8), data: (616, 22) @ (22, 8) |-- (116, 108), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 20:25:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:25:17]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.798492700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918195110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.583349310000000 Atomic positions (fractional): 1 O 0.72903522210294 0.36784189322883 0.74018053565616 15.999 2 O 0.27096477789706 0.63215810677117 0.74018053565616 15.999 3 O 0.22903522210294 0.13215810677117 0.75981946434384 15.999 4 O 0.77096477789706 0.86784189322883 0.75981946434384 15.999 5 O 0.27096477789706 0.63215810677117 0.25981946434384 15.999 6 O 0.72903522210294 0.36784189322883 0.25981946434384 15.999 7 O 0.77096477789706 0.86784189322883 0.24018053565616 15.999 8 O 0.22903522210294 0.13215810677117 0.24018053565616 15.999 9 O 0.39745943279441 0.90078775485314 0.50000000000000 15.999 10 O 0.60254056720559 0.09921224514686 0.50000000000000 15.999 11 O 0.89745943279441 0.59921224514686 0.00000000000000 15.999 12 O 0.10254056720559 0.40078775485314 0.00000000000000 15.999 13 O 0.42352298568498 0.36227708894563 0.50000000000000 15.999 14 O 0.57647701431502 0.63772291105437 0.50000000000000 15.999 15 O 0.92352298568498 0.13772291105437 0.00000000000000 15.999 16 O 0.07647701431502 0.86227708894563 0.00000000000000 15.999 17 O 0.42496209648117 0.36192054525407 0.00000000000000 15.999 18 O 0.57503790351883 0.63807945474593 0.00000000000000 15.999 19 O 0.92496209648117 0.13807945474593 0.50000000000000 15.999 20 O 0.07503790351883 0.86192054525407 0.50000000000000 15.999 21 Al 0.00000000000000 0.00000000000000 0.24225172237841 26.982 22 Al 0.50000000000000 0.50000000000000 0.25774827762159 26.982 23 Al 0.00000000000000 0.00000000000000 0.75774827762159 26.982 24 Al 0.50000000000000 0.50000000000000 0.74225172237841 26.982 25 Al 0.13017765487883 0.63849654968337 0.00000000000000 26.982 26 Al 0.86982234512117 0.36150345031663 0.00000000000000 26.982 27 Al 0.63017765487883 0.86150345031663 0.50000000000000 26.982 28 Al 0.36982234512117 0.13849654968337 0.50000000000000 26.982 29 Si 0.24515859659102 0.25070551635697 0.00000000000000 28.085 30 Si 0.75484140340898 0.74929448364303 0.00000000000000 28.085 31 Si 0.74515859659102 0.24929448364303 0.50000000000000 28.085 32 Si 0.25484140340898 0.75070551635697 0.50000000000000 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.596985399999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918195110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.166698620000000 Atomic positions (fractional): 1 O 0.36451761105147 0.36784189322883 0.37009026782808 15.999 > 1 2 O 0.86451761105147 0.36784189322883 0.37009026782808 15.999 > 1 3 O 0.36451761105147 0.36784189322883 0.87009026782808 15.999 > 1 4 O 0.86451761105147 0.36784189322883 0.87009026782808 15.999 > 1 5 O 0.13548238894853 0.63215810677117 0.37009026782808 15.999 > 5 6 O 0.63548238894853 0.63215810677117 0.37009026782808 15.999 > 5 7 O 0.13548238894853 0.63215810677117 0.87009026782808 15.999 > 5 8 O 0.63548238894853 0.63215810677117 0.87009026782808 15.999 > 5 9 O 0.11451761105147 0.13215810677117 0.37990973217192 15.999 > 9 10 O 0.61451761105147 0.13215810677117 0.37990973217192 15.999 > 9 11 O 0.11451761105147 0.13215810677117 0.87990973217192 15.999 > 9 12 O 0.61451761105147 0.13215810677117 0.87990973217192 15.999 > 9 13 O 0.38548238894853 0.86784189322883 0.37990973217192 15.999 > 13 14 O 0.88548238894853 0.86784189322883 0.37990973217192 15.999 > 13 15 O 0.38548238894853 0.86784189322883 0.87990973217192 15.999 > 13 16 O 0.88548238894853 0.86784189322883 0.87990973217192 15.999 > 13 17 O 0.13548238894853 0.63215810677117 0.12990973217192 15.999 > 17 18 O 0.63548238894853 0.63215810677117 0.12990973217192 15.999 > 17 19 O 0.13548238894853 0.63215810677117 0.62990973217192 15.999 > 17 20 O 0.63548238894853 0.63215810677117 0.62990973217192 15.999 > 17 21 O 0.36451761105147 0.36784189322883 0.12990973217192 15.999 > 21 22 O 0.86451761105147 0.36784189322883 0.12990973217192 15.999 > 21 23 O 0.36451761105147 0.36784189322883 0.62990973217192 15.999 > 21 24 O 0.86451761105147 0.36784189322883 0.62990973217192 15.999 > 21 25 O 0.38548238894853 0.86784189322883 0.12009026782808 15.999 > 25 26 O 0.88548238894853 0.86784189322883 0.12009026782808 15.999 > 25 27 O 0.38548238894853 0.86784189322883 0.62009026782808 15.999 > 25 28 O 0.88548238894853 0.86784189322883 0.62009026782808 15.999 > 25 29 O 0.11451761105147 0.13215810677117 0.12009026782808 15.999 > 29 30 O 0.61451761105147 0.13215810677117 0.12009026782808 15.999 > 29 31 O 0.11451761105147 0.13215810677117 0.62009026782808 15.999 > 29 32 O 0.61451761105147 0.13215810677117 0.62009026782808 15.999 > 29 33 O 0.19872971639721 0.90078775485314 0.25000000000000 15.999 > 33 34 O 0.69872971639721 0.90078775485314 0.25000000000000 15.999 > 33 35 O 0.19872971639721 0.90078775485314 0.75000000000000 15.999 > 33 36 O 0.69872971639721 0.90078775485314 0.75000000000000 15.999 > 33 37 O 0.30127028360279 0.09921224514686 0.25000000000000 15.999 > 37 38 O 0.80127028360279 0.09921224514686 0.25000000000000 15.999 > 37 39 O 0.30127028360279 0.09921224514686 0.75000000000000 15.999 > 37 40 O 0.80127028360279 0.09921224514686 0.75000000000000 15.999 > 37 41 O 0.44872971639721 0.59921224514686 0.00000000000000 15.999 > 41 42 O 0.94872971639721 0.59921224514686 0.00000000000000 15.999 > 41 43 O 0.44872971639721 0.59921224514686 0.50000000000000 15.999 > 41 44 O 0.94872971639721 0.59921224514686 0.50000000000000 15.999 > 41 45 O 0.05127028360279 0.40078775485314 0.00000000000000 15.999 > 45 46 O 0.55127028360279 0.40078775485314 0.00000000000000 15.999 > 45 47 O 0.05127028360279 0.40078775485314 0.50000000000000 15.999 > 45 48 O 0.55127028360279 0.40078775485314 0.50000000000000 15.999 > 45 49 O 0.21176149284249 0.36227708894563 0.25000000000000 15.999 > 49 50 O 0.71176149284249 0.36227708894563 0.25000000000000 15.999 > 49 51 O 0.21176149284249 0.36227708894563 0.75000000000000 15.999 > 49 52 O 0.71176149284249 0.36227708894563 0.75000000000000 15.999 > 49 53 O 0.28823850715751 0.63772291105437 0.25000000000000 15.999 > 53 54 O 0.78823850715751 0.63772291105437 0.25000000000000 15.999 > 53 55 O 0.28823850715751 0.63772291105437 0.75000000000000 15.999 > 53 56 O 0.78823850715751 0.63772291105437 0.75000000000000 15.999 > 53 57 O 0.46176149284249 0.13772291105437 0.00000000000000 15.999 > 57 58 O 0.96176149284249 0.13772291105437 0.00000000000000 15.999 > 57 59 O 0.46176149284249 0.13772291105437 0.50000000000000 15.999 > 57 60 O 0.96176149284249 0.13772291105437 0.50000000000000 15.999 > 57 61 O 0.03823850715751 0.86227708894563 0.00000000000000 15.999 > 61 62 O 0.53823850715751 0.86227708894563 0.00000000000000 15.999 > 61 63 O 0.03823850715751 0.86227708894563 0.50000000000000 15.999 > 61 64 O 0.53823850715751 0.86227708894563 0.50000000000000 15.999 > 61 65 O 0.21248104824058 0.36192054525407 0.00000000000000 15.999 > 65 66 O 0.71248104824058 0.36192054525407 0.00000000000000 15.999 > 65 67 O 0.21248104824058 0.36192054525407 0.50000000000000 15.999 > 65 68 O 0.71248104824058 0.36192054525407 0.50000000000000 15.999 > 65 69 O 0.28751895175942 0.63807945474593 0.00000000000000 15.999 > 69 70 O 0.78751895175942 0.63807945474593 0.00000000000000 15.999 > 69 71 O 0.28751895175942 0.63807945474593 0.50000000000000 15.999 > 69 72 O 0.78751895175942 0.63807945474593 0.50000000000000 15.999 > 69 73 O 0.46248104824058 0.13807945474593 0.25000000000000 15.999 > 73 74 O 0.96248104824058 0.13807945474593 0.25000000000000 15.999 > 73 75 O 0.46248104824058 0.13807945474593 0.75000000000000 15.999 > 73 76 O 0.96248104824058 0.13807945474593 0.75000000000000 15.999 > 73 77 O 0.03751895175942 0.86192054525407 0.25000000000000 15.999 > 77 78 O 0.53751895175942 0.86192054525407 0.25000000000000 15.999 > 77 79 O 0.03751895175942 0.86192054525407 0.75000000000000 15.999 > 77 80 O 0.53751895175942 0.86192054525407 0.75000000000000 15.999 > 77 81 Al 0.00000000000000 0.00000000000000 0.12112586118920 26.982 > 81 82 Al 0.50000000000000 0.00000000000000 0.12112586118920 26.982 > 81 83 Al 0.00000000000000 0.00000000000000 0.62112586118920 26.982 > 81 84 Al 0.50000000000000 0.00000000000000 0.62112586118920 26.982 > 81 85 Al 0.25000000000000 0.50000000000000 0.12887413881080 26.982 > 85 86 Al 0.75000000000000 0.50000000000000 0.12887413881080 26.982 > 85 87 Al 0.25000000000000 0.50000000000000 0.62887413881080 26.982 > 85 88 Al 0.75000000000000 0.50000000000000 0.62887413881080 26.982 > 85 89 Al 0.00000000000000 0.00000000000000 0.37887413881080 26.982 > 89 90 Al 0.50000000000000 0.00000000000000 0.37887413881080 26.982 > 89 91 Al 0.00000000000000 0.00000000000000 0.87887413881080 26.982 > 89 92 Al 0.50000000000000 0.00000000000000 0.87887413881080 26.982 > 89 93 Al 0.25000000000000 0.50000000000000 0.37112586118920 26.982 > 93 94 Al 0.75000000000000 0.50000000000000 0.37112586118920 26.982 > 93 95 Al 0.25000000000000 0.50000000000000 0.87112586118920 26.982 > 93 96 Al 0.75000000000000 0.50000000000000 0.87112586118920 26.982 > 93 97 Al 0.06508882743941 0.63849654968337 0.00000000000000 26.982 > 97 98 Al 0.56508882743941 0.63849654968337 0.00000000000000 26.982 > 97 99 Al 0.06508882743941 0.63849654968337 0.50000000000000 26.982 > 97 100 Al 0.56508882743941 0.63849654968337 0.50000000000000 26.982 > 97 101 Al 0.43491117256059 0.36150345031663 0.00000000000000 26.982 > 101 102 Al 0.93491117256059 0.36150345031663 0.00000000000000 26.982 > 101 103 Al 0.43491117256059 0.36150345031663 0.50000000000000 26.982 > 101 104 Al 0.93491117256059 0.36150345031663 0.50000000000000 26.982 > 101 105 Al 0.31508882743941 0.86150345031663 0.25000000000000 26.982 > 105 106 Al 0.81508882743941 0.86150345031663 0.25000000000000 26.982 > 105 107 Al 0.31508882743941 0.86150345031663 0.75000000000000 26.982 > 105 108 Al 0.81508882743941 0.86150345031663 0.75000000000000 26.982 > 105 109 Al 0.18491117256059 0.13849654968337 0.25000000000000 26.982 > 109 110 Al 0.68491117256059 0.13849654968337 0.25000000000000 26.982 > 109 111 Al 0.18491117256059 0.13849654968337 0.75000000000000 26.982 > 109 112 Al 0.68491117256059 0.13849654968337 0.75000000000000 26.982 > 109 113 Si 0.12257929829551 0.25070551635697 0.00000000000000 28.085 > 113 114 Si 0.62257929829551 0.25070551635697 0.00000000000000 28.085 > 113 115 Si 0.12257929829551 0.25070551635697 0.50000000000000 28.085 > 113 116 Si 0.62257929829551 0.25070551635697 0.50000000000000 28.085 > 113 117 Si 0.37742070170449 0.74929448364303 0.00000000000000 28.085 > 117 118 Si 0.87742070170449 0.74929448364303 0.00000000000000 28.085 > 117 119 Si 0.37742070170449 0.74929448364303 0.50000000000000 28.085 > 117 120 Si 0.87742070170449 0.74929448364303 0.50000000000000 28.085 > 117 121 Si 0.37257929829551 0.24929448364303 0.25000000000000 28.085 > 121 122 Si 0.87257929829551 0.24929448364303 0.25000000000000 28.085 > 121 123 Si 0.37257929829551 0.24929448364303 0.75000000000000 28.085 > 121 124 Si 0.87257929829551 0.24929448364303 0.75000000000000 28.085 > 121 125 Si 0.12742070170449 0.75070551635697 0.25000000000000 28.085 > 125 126 Si 0.62742070170449 0.75070551635697 0.25000000000000 28.085 > 125 127 Si 0.12742070170449 0.75070551635697 0.75000000000000 28.085 > 125 128 Si 0.62742070170449 0.75070551635697 0.75000000000000 28.085 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8479607 0.0000000 0.0000000 0.0000000 2.8178732 0.0000000 0.0000000 0.0000000 2.7939889 -------------------------- Born effective charges -------------------------- 1 O -1.7278020 0.3090918 -0.3382967 0.3702194 -1.5951439 -0.4379309 -0.2783125 -0.3965055 -2.0505198 2 O -1.7278020 0.3090918 0.3382967 0.3702194 -1.5951439 0.4379309 0.2783125 0.3965055 -2.0505198 3 O -1.7278020 -0.3090918 0.3382967 -0.3702194 -1.5951439 -0.4379309 0.2783125 -0.3965055 -2.0505198 4 O -1.7278020 -0.3090918 -0.3382967 -0.3702194 -1.5951439 0.4379309 -0.2783125 0.3965055 -2.0505198 5 O -1.7278020 0.3090918 -0.3382967 0.3702194 -1.5951439 -0.4379309 -0.2783125 -0.3965055 -2.0505198 6 O -1.7278020 0.3090918 0.3382967 0.3702194 -1.5951439 0.4379309 0.2783125 0.3965055 -2.0505198 7 O -1.7278020 -0.3090918 0.3382967 -0.3702194 -1.5951439 -0.4379309 0.2783125 -0.3965055 -2.0505198 8 O -1.7278020 -0.3090918 -0.3382967 -0.3702194 -1.5951439 0.4379309 -0.2783125 0.3965055 -2.0505198 9 O -2.0804366 -0.1490730 0.0000000 -0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 10 O -2.0804366 -0.1490730 0.0000000 -0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 11 O -2.0804366 0.1490730 0.0000000 0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 12 O -2.0804366 0.1490730 0.0000000 0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 13 O -1.5786529 -0.1895422 0.0000000 -0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 14 O -1.5786529 -0.1895422 0.0000000 -0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 15 O -1.5786529 0.1895422 0.0000000 0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 16 O -1.5786529 0.1895422 0.0000000 0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 17 O -1.8839365 -0.7236271 0.0000000 -0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 18 O -1.8839365 -0.7236271 0.0000000 -0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 19 O -1.8839365 0.7236271 0.0000000 0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 20 O -1.8839365 0.7236271 0.0000000 0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 21 Al 2.8938461 0.0346322 0.0000000 0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 22 Al 2.8938461 -0.0346322 0.0000000 -0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 23 Al 2.8938461 0.0346322 0.0000000 0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 24 Al 2.8938461 -0.0346322 0.0000000 -0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 25 Al 2.9080560 -0.1841699 0.0000000 -0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 26 Al 2.9080560 -0.1841699 0.0000000 -0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 27 Al 2.9080560 0.1841699 0.0000000 0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 28 Al 2.9080560 0.1841699 0.0000000 0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 29 Si 3.1967280 0.3546365 0.0000000 0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 30 Si 3.1967280 0.3546365 0.0000000 0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 31 Si 3.1967280 -0.3546365 0.0000000 -0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 32 Si 3.1967280 -0.3546365 0.0000000 -0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (zyz) 0.00000004 (zyz) 0.00000004 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 20:25:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:25:52]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.798492700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918195110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.583349310000000 Atomic positions (fractional): 1 O 0.72903522210294 0.36784189322883 0.74018053565616 15.999 2 O 0.27096477789706 0.63215810677117 0.74018053565616 15.999 3 O 0.22903522210294 0.13215810677117 0.75981946434384 15.999 4 O 0.77096477789706 0.86784189322883 0.75981946434384 15.999 5 O 0.27096477789706 0.63215810677117 0.25981946434384 15.999 6 O 0.72903522210294 0.36784189322883 0.25981946434384 15.999 7 O 0.77096477789706 0.86784189322883 0.24018053565616 15.999 8 O 0.22903522210294 0.13215810677117 0.24018053565616 15.999 9 O 0.39745943279441 0.90078775485314 0.50000000000000 15.999 10 O 0.60254056720559 0.09921224514686 0.50000000000000 15.999 11 O 0.89745943279441 0.59921224514686 0.00000000000000 15.999 12 O 0.10254056720559 0.40078775485314 0.00000000000000 15.999 13 O 0.42352298568498 0.36227708894563 0.50000000000000 15.999 14 O 0.57647701431502 0.63772291105437 0.50000000000000 15.999 15 O 0.92352298568498 0.13772291105437 0.00000000000000 15.999 16 O 0.07647701431502 0.86227708894563 0.00000000000000 15.999 17 O 0.42496209648117 0.36192054525407 0.00000000000000 15.999 18 O 0.57503790351883 0.63807945474593 0.00000000000000 15.999 19 O 0.92496209648117 0.13807945474593 0.50000000000000 15.999 20 O 0.07503790351883 0.86192054525407 0.50000000000000 15.999 21 Al 0.00000000000000 0.00000000000000 0.24225172237841 26.982 22 Al 0.50000000000000 0.50000000000000 0.25774827762159 26.982 23 Al 0.00000000000000 0.00000000000000 0.75774827762159 26.982 24 Al 0.50000000000000 0.50000000000000 0.74225172237841 26.982 25 Al 0.13017765487883 0.63849654968337 0.00000000000000 26.982 26 Al 0.86982234512117 0.36150345031663 0.00000000000000 26.982 27 Al 0.63017765487883 0.86150345031663 0.50000000000000 26.982 28 Al 0.36982234512117 0.13849654968337 0.50000000000000 26.982 29 Si 0.24515859659102 0.25070551635697 0.00000000000000 28.085 30 Si 0.75484140340898 0.74929448364303 0.00000000000000 28.085 31 Si 0.74515859659102 0.24929448364303 0.50000000000000 28.085 32 Si 0.25484140340898 0.75070551635697 0.50000000000000 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.596985399999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.918195110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.166698620000000 Atomic positions (fractional): 1 O 0.36451761105147 0.36784189322883 0.37009026782808 15.999 > 1 2 O 0.86451761105147 0.36784189322883 0.37009026782808 15.999 > 1 3 O 0.36451761105147 0.36784189322883 0.87009026782808 15.999 > 1 4 O 0.86451761105147 0.36784189322883 0.87009026782808 15.999 > 1 5 O 0.13548238894853 0.63215810677117 0.37009026782808 15.999 > 5 6 O 0.63548238894853 0.63215810677117 0.37009026782808 15.999 > 5 7 O 0.13548238894853 0.63215810677117 0.87009026782808 15.999 > 5 8 O 0.63548238894853 0.63215810677117 0.87009026782808 15.999 > 5 9 O 0.11451761105147 0.13215810677117 0.37990973217192 15.999 > 9 10 O 0.61451761105147 0.13215810677117 0.37990973217192 15.999 > 9 11 O 0.11451761105147 0.13215810677117 0.87990973217192 15.999 > 9 12 O 0.61451761105147 0.13215810677117 0.87990973217192 15.999 > 9 13 O 0.38548238894853 0.86784189322883 0.37990973217192 15.999 > 13 14 O 0.88548238894853 0.86784189322883 0.37990973217192 15.999 > 13 15 O 0.38548238894853 0.86784189322883 0.87990973217192 15.999 > 13 16 O 0.88548238894853 0.86784189322883 0.87990973217192 15.999 > 13 17 O 0.13548238894853 0.63215810677117 0.12990973217192 15.999 > 17 18 O 0.63548238894853 0.63215810677117 0.12990973217192 15.999 > 17 19 O 0.13548238894853 0.63215810677117 0.62990973217192 15.999 > 17 20 O 0.63548238894853 0.63215810677117 0.62990973217192 15.999 > 17 21 O 0.36451761105147 0.36784189322883 0.12990973217192 15.999 > 21 22 O 0.86451761105147 0.36784189322883 0.12990973217192 15.999 > 21 23 O 0.36451761105147 0.36784189322883 0.62990973217192 15.999 > 21 24 O 0.86451761105147 0.36784189322883 0.62990973217192 15.999 > 21 25 O 0.38548238894853 0.86784189322883 0.12009026782808 15.999 > 25 26 O 0.88548238894853 0.86784189322883 0.12009026782808 15.999 > 25 27 O 0.38548238894853 0.86784189322883 0.62009026782808 15.999 > 25 28 O 0.88548238894853 0.86784189322883 0.62009026782808 15.999 > 25 29 O 0.11451761105147 0.13215810677117 0.12009026782808 15.999 > 29 30 O 0.61451761105147 0.13215810677117 0.12009026782808 15.999 > 29 31 O 0.11451761105147 0.13215810677117 0.62009026782808 15.999 > 29 32 O 0.61451761105147 0.13215810677117 0.62009026782808 15.999 > 29 33 O 0.19872971639721 0.90078775485314 0.25000000000000 15.999 > 33 34 O 0.69872971639721 0.90078775485314 0.25000000000000 15.999 > 33 35 O 0.19872971639721 0.90078775485314 0.75000000000000 15.999 > 33 36 O 0.69872971639721 0.90078775485314 0.75000000000000 15.999 > 33 37 O 0.30127028360279 0.09921224514686 0.25000000000000 15.999 > 37 38 O 0.80127028360279 0.09921224514686 0.25000000000000 15.999 > 37 39 O 0.30127028360279 0.09921224514686 0.75000000000000 15.999 > 37 40 O 0.80127028360279 0.09921224514686 0.75000000000000 15.999 > 37 41 O 0.44872971639721 0.59921224514686 0.00000000000000 15.999 > 41 42 O 0.94872971639721 0.59921224514686 0.00000000000000 15.999 > 41 43 O 0.44872971639721 0.59921224514686 0.50000000000000 15.999 > 41 44 O 0.94872971639721 0.59921224514686 0.50000000000000 15.999 > 41 45 O 0.05127028360279 0.40078775485314 0.00000000000000 15.999 > 45 46 O 0.55127028360279 0.40078775485314 0.00000000000000 15.999 > 45 47 O 0.05127028360279 0.40078775485314 0.50000000000000 15.999 > 45 48 O 0.55127028360279 0.40078775485314 0.50000000000000 15.999 > 45 49 O 0.21176149284249 0.36227708894563 0.25000000000000 15.999 > 49 50 O 0.71176149284249 0.36227708894563 0.25000000000000 15.999 > 49 51 O 0.21176149284249 0.36227708894563 0.75000000000000 15.999 > 49 52 O 0.71176149284249 0.36227708894563 0.75000000000000 15.999 > 49 53 O 0.28823850715751 0.63772291105437 0.25000000000000 15.999 > 53 54 O 0.78823850715751 0.63772291105437 0.25000000000000 15.999 > 53 55 O 0.28823850715751 0.63772291105437 0.75000000000000 15.999 > 53 56 O 0.78823850715751 0.63772291105437 0.75000000000000 15.999 > 53 57 O 0.46176149284249 0.13772291105437 0.00000000000000 15.999 > 57 58 O 0.96176149284249 0.13772291105437 0.00000000000000 15.999 > 57 59 O 0.46176149284249 0.13772291105437 0.50000000000000 15.999 > 57 60 O 0.96176149284249 0.13772291105437 0.50000000000000 15.999 > 57 61 O 0.03823850715751 0.86227708894563 0.00000000000000 15.999 > 61 62 O 0.53823850715751 0.86227708894563 0.00000000000000 15.999 > 61 63 O 0.03823850715751 0.86227708894563 0.50000000000000 15.999 > 61 64 O 0.53823850715751 0.86227708894563 0.50000000000000 15.999 > 61 65 O 0.21248104824058 0.36192054525407 0.00000000000000 15.999 > 65 66 O 0.71248104824058 0.36192054525407 0.00000000000000 15.999 > 65 67 O 0.21248104824058 0.36192054525407 0.50000000000000 15.999 > 65 68 O 0.71248104824058 0.36192054525407 0.50000000000000 15.999 > 65 69 O 0.28751895175942 0.63807945474593 0.00000000000000 15.999 > 69 70 O 0.78751895175942 0.63807945474593 0.00000000000000 15.999 > 69 71 O 0.28751895175942 0.63807945474593 0.50000000000000 15.999 > 69 72 O 0.78751895175942 0.63807945474593 0.50000000000000 15.999 > 69 73 O 0.46248104824058 0.13807945474593 0.25000000000000 15.999 > 73 74 O 0.96248104824058 0.13807945474593 0.25000000000000 15.999 > 73 75 O 0.46248104824058 0.13807945474593 0.75000000000000 15.999 > 73 76 O 0.96248104824058 0.13807945474593 0.75000000000000 15.999 > 73 77 O 0.03751895175942 0.86192054525407 0.25000000000000 15.999 > 77 78 O 0.53751895175942 0.86192054525407 0.25000000000000 15.999 > 77 79 O 0.03751895175942 0.86192054525407 0.75000000000000 15.999 > 77 80 O 0.53751895175942 0.86192054525407 0.75000000000000 15.999 > 77 81 Al 0.00000000000000 0.00000000000000 0.12112586118920 26.982 > 81 82 Al 0.50000000000000 0.00000000000000 0.12112586118920 26.982 > 81 83 Al 0.00000000000000 0.00000000000000 0.62112586118920 26.982 > 81 84 Al 0.50000000000000 0.00000000000000 0.62112586118920 26.982 > 81 85 Al 0.25000000000000 0.50000000000000 0.12887413881080 26.982 > 85 86 Al 0.75000000000000 0.50000000000000 0.12887413881080 26.982 > 85 87 Al 0.25000000000000 0.50000000000000 0.62887413881080 26.982 > 85 88 Al 0.75000000000000 0.50000000000000 0.62887413881080 26.982 > 85 89 Al 0.00000000000000 0.00000000000000 0.37887413881080 26.982 > 89 90 Al 0.50000000000000 0.00000000000000 0.37887413881080 26.982 > 89 91 Al 0.00000000000000 0.00000000000000 0.87887413881080 26.982 > 89 92 Al 0.50000000000000 0.00000000000000 0.87887413881080 26.982 > 89 93 Al 0.25000000000000 0.50000000000000 0.37112586118920 26.982 > 93 94 Al 0.75000000000000 0.50000000000000 0.37112586118920 26.982 > 93 95 Al 0.25000000000000 0.50000000000000 0.87112586118920 26.982 > 93 96 Al 0.75000000000000 0.50000000000000 0.87112586118920 26.982 > 93 97 Al 0.06508882743941 0.63849654968337 0.00000000000000 26.982 > 97 98 Al 0.56508882743941 0.63849654968337 0.00000000000000 26.982 > 97 99 Al 0.06508882743941 0.63849654968337 0.50000000000000 26.982 > 97 100 Al 0.56508882743941 0.63849654968337 0.50000000000000 26.982 > 97 101 Al 0.43491117256059 0.36150345031663 0.00000000000000 26.982 > 101 102 Al 0.93491117256059 0.36150345031663 0.00000000000000 26.982 > 101 103 Al 0.43491117256059 0.36150345031663 0.50000000000000 26.982 > 101 104 Al 0.93491117256059 0.36150345031663 0.50000000000000 26.982 > 101 105 Al 0.31508882743941 0.86150345031663 0.25000000000000 26.982 > 105 106 Al 0.81508882743941 0.86150345031663 0.25000000000000 26.982 > 105 107 Al 0.31508882743941 0.86150345031663 0.75000000000000 26.982 > 105 108 Al 0.81508882743941 0.86150345031663 0.75000000000000 26.982 > 105 109 Al 0.18491117256059 0.13849654968337 0.25000000000000 26.982 > 109 110 Al 0.68491117256059 0.13849654968337 0.25000000000000 26.982 > 109 111 Al 0.18491117256059 0.13849654968337 0.75000000000000 26.982 > 109 112 Al 0.68491117256059 0.13849654968337 0.75000000000000 26.982 > 109 113 Si 0.12257929829551 0.25070551635697 0.00000000000000 28.085 > 113 114 Si 0.62257929829551 0.25070551635697 0.00000000000000 28.085 > 113 115 Si 0.12257929829551 0.25070551635697 0.50000000000000 28.085 > 113 116 Si 0.62257929829551 0.25070551635697 0.50000000000000 28.085 > 113 117 Si 0.37742070170449 0.74929448364303 0.00000000000000 28.085 > 117 118 Si 0.87742070170449 0.74929448364303 0.00000000000000 28.085 > 117 119 Si 0.37742070170449 0.74929448364303 0.50000000000000 28.085 > 117 120 Si 0.87742070170449 0.74929448364303 0.50000000000000 28.085 > 117 121 Si 0.37257929829551 0.24929448364303 0.25000000000000 28.085 > 121 122 Si 0.87257929829551 0.24929448364303 0.25000000000000 28.085 > 121 123 Si 0.37257929829551 0.24929448364303 0.75000000000000 28.085 > 121 124 Si 0.87257929829551 0.24929448364303 0.75000000000000 28.085 > 121 125 Si 0.12742070170449 0.75070551635697 0.25000000000000 28.085 > 125 126 Si 0.62742070170449 0.75070551635697 0.25000000000000 28.085 > 125 127 Si 0.12742070170449 0.75070551635697 0.75000000000000 28.085 > 125 128 Si 0.62742070170449 0.75070551635697 0.75000000000000 28.085 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8479607 0.0000000 0.0000000 0.0000000 2.8178732 0.0000000 0.0000000 0.0000000 2.7939889 -------------------------- Born effective charges -------------------------- 1 O -1.7278020 0.3090918 -0.3382967 0.3702194 -1.5951439 -0.4379309 -0.2783125 -0.3965055 -2.0505198 2 O -1.7278020 0.3090918 0.3382967 0.3702194 -1.5951439 0.4379309 0.2783125 0.3965055 -2.0505198 3 O -1.7278020 -0.3090918 0.3382967 -0.3702194 -1.5951439 -0.4379309 0.2783125 -0.3965055 -2.0505198 4 O -1.7278020 -0.3090918 -0.3382967 -0.3702194 -1.5951439 0.4379309 -0.2783125 0.3965055 -2.0505198 5 O -1.7278020 0.3090918 -0.3382967 0.3702194 -1.5951439 -0.4379309 -0.2783125 -0.3965055 -2.0505198 6 O -1.7278020 0.3090918 0.3382967 0.3702194 -1.5951439 0.4379309 0.2783125 0.3965055 -2.0505198 7 O -1.7278020 -0.3090918 0.3382967 -0.3702194 -1.5951439 -0.4379309 0.2783125 -0.3965055 -2.0505198 8 O -1.7278020 -0.3090918 -0.3382967 -0.3702194 -1.5951439 0.4379309 -0.2783125 0.3965055 -2.0505198 9 O -2.0804366 -0.1490730 0.0000000 -0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 10 O -2.0804366 -0.1490730 0.0000000 -0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 11 O -2.0804366 0.1490730 0.0000000 0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 12 O -2.0804366 0.1490730 0.0000000 0.1623280 -2.2274194 0.0000000 0.0000000 0.0000000 -1.0280434 13 O -1.5786529 -0.1895422 0.0000000 -0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 14 O -1.5786529 -0.1895422 0.0000000 -0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 15 O -1.5786529 0.1895422 0.0000000 0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 16 O -1.5786529 0.1895422 0.0000000 0.1595382 -2.0853778 0.0000000 0.0000000 0.0000000 -1.8238707 17 O -1.8839365 -0.7236271 0.0000000 -0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 18 O -1.8839365 -0.7236271 0.0000000 -0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 19 O -1.8839365 0.7236271 0.0000000 0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 20 O -1.8839365 0.7236271 0.0000000 0.4882235 -1.7221297 0.0000000 0.0000000 0.0000000 -1.8458939 21 Al 2.8938461 0.0346322 0.0000000 0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 22 Al 2.8938461 -0.0346322 0.0000000 -0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 23 Al 2.8938461 0.0346322 0.0000000 0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 24 Al 2.8938461 -0.0346322 0.0000000 -0.2899783 2.8898583 0.0000000 0.0000000 0.0000000 3.0551305 25 Al 2.9080560 -0.1841699 0.0000000 -0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 26 Al 2.9080560 -0.1841699 0.0000000 -0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 27 Al 2.9080560 0.1841699 0.0000000 0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 28 Al 2.9080560 0.1841699 0.0000000 0.0645080 3.0924970 0.0000000 0.0000000 0.0000000 2.6145908 29 Si 3.1967280 0.3546365 0.0000000 0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 30 Si 3.1967280 0.3546365 0.0000000 0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 31 Si 3.1967280 -0.3546365 0.0000000 -0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 32 Si 3.1967280 -0.3546365 0.0000000 -0.4695160 3.2428595 0.0000000 0.0000000 0.0000000 3.1291262 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zyz) 0.00000004 (zyz) 0.00000004 (zzy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 6 6 9 ] 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: 0.59, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 6.846 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 8.550 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.811 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.260 ( 0.000 0.000 0.000) 0.000 9.865 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 0.000 0.000) 0.000 10.370 ( 0.000 0.000 0.000) 0.000 10.384 ( 0.000 0.000 0.000) 0.000 10.706 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 10.967 ( 0.000 0.000 0.000) 0.000 11.178 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000 11.498 ( 0.000 0.000 0.000) 0.000 11.867 ( 0.000 0.000 0.000) 0.000 11.943 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 12.192 ( 0.000 0.000 0.000) 0.000 12.451 ( 0.000 0.000 0.000) 0.000 12.841 ( 0.000 0.000 0.000) 0.000 12.944 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 13.810 ( 0.000 0.000 0.000) 0.000 14.054 ( 0.000 0.000 0.000) 0.000 14.187 ( 0.000 0.000 0.000) 0.000 14.944 ( 0.000 0.000 0.000) 0.000 15.133 ( 0.000 0.000 0.000) 0.000 15.774 ( 0.000 0.000 0.000) 0.000 15.789 ( 0.000 0.000 0.000) 0.000 16.111 ( 0.000 0.000 0.000) 0.000 16.300 ( 0.000 0.000 0.000) 0.000 16.316 ( 0.000 0.000 0.000) 0.000 16.636 ( 0.000 0.000 0.000) 0.000 16.954 ( 0.000 0.000 0.000) 0.000 17.264 ( 0.000 0.000 0.000) 0.000 17.587 ( 0.000 0.000 0.000) 0.000 17.894 ( 0.000 0.000 0.000) 0.000 17.913 ( 0.000 0.000 0.000) 0.000 18.218 ( 0.000 0.000 0.000) 0.000 18.565 ( 0.000 0.000 0.000) 0.000 18.566 ( 0.000 0.000 0.000) 0.000 18.746 ( 0.000 0.000 0.000) 0.000 18.991 ( 0.000 0.000 0.000) 0.000 19.106 ( 0.000 0.000 0.000) 0.000 19.258 ( 0.000 0.000 0.000) 0.000 19.467 ( 0.000 0.000 0.000) 0.000 19.470 ( 0.000 0.000 0.000) 0.000 20.167 ( 0.000 0.000 0.000) 0.000 20.797 ( 0.000 0.000 0.000) 0.000 20.986 ( 0.000 0.000 0.000) 0.000 21.306 ( 0.000 0.000 0.000) 0.000 22.696 ( 0.000 0.000 0.000) 0.000 23.205 ( 0.000 0.000 0.000) 0.000 24.505 ( 0.000 0.000 0.000) 0.000 24.572 ( 0.000 0.000 0.000) 0.000 25.188 ( 0.000 0.000 0.000) 0.000 25.464 ( 0.000 0.000 0.000) 0.000 26.755 ( 0.000 0.000 0.000) 0.000 27.030 ( 0.000 0.000 0.000) 0.000 27.096 ( 0.000 0.000 0.000) 0.000 27.402 ( 0.000 0.000 0.000) 0.000 27.406 ( 0.000 0.000 0.000) 0.000 27.530 ( 0.000 0.000 0.000) 0.000 27.619 ( 0.000 0.000 0.000) 0.000 27.639 ( 0.000 0.000 0.000) 0.000 27.731 ( 0.000 0.000 0.000) 0.000 28.448 ( 0.000 0.000 0.000) 0.000 28.645 ( 0.000 0.000 0.000) 0.000 29.773 ( 0.000 0.000 0.000) 0.000 31.489 ( 0.000 0.000 0.000) 0.000 32.722 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 48.224 0.000 0.000) 48.224 1.248 ( 57.999 0.000 0.000) 57.999 1.772 ( 81.382 0.000 0.000) 81.382 2.564 ( 1.734 0.000 0.000) 1.734 4.147 ( -17.251 0.000 0.000) 17.251 5.237 ( -33.546 0.000 0.000) 33.546 5.462 ( 7.082 0.000 0.000) 7.082 5.738 ( -30.460 0.000 0.000) 30.460 5.800 ( 8.520 0.000 0.000) 8.520 5.871 ( 2.997 0.000 0.000) 2.997 5.980 ( -5.432 0.000 0.000) 5.432 6.186 ( 2.859 0.000 0.000) 2.859 6.776 ( 5.558 0.000 0.000) 5.558 6.815 ( 22.929 0.000 0.000) 22.929 6.904 ( 5.572 0.000 0.000) 5.572 6.939 ( -18.063 0.000 0.000) 18.063 7.243 ( 6.063 0.000 0.000) 6.063 7.887 ( 2.453 0.000 0.000) 2.453 8.077 ( -13.323 0.000 0.000) 13.323 8.223 ( -36.878 0.000 0.000) 36.878 8.237 ( -5.603 0.000 0.000) 5.603 8.573 ( 2.399 0.000 0.000) 2.399 8.820 ( 0.904 0.000 0.000) 0.904 9.030 ( 1.170 0.000 0.000) 1.170 9.073 ( 9.775 0.000 0.000) 9.775 9.268 ( 11.287 0.000 0.000) 11.287 9.328 ( -0.232 0.000 0.000) 0.232 9.855 ( 4.560 0.000 0.000) 4.560 10.018 ( -6.671 0.000 0.000) 6.671 10.191 ( 0.664 0.000 0.000) 0.664 10.500 ( 7.610 0.000 0.000) 7.610 10.516 ( 10.449 0.000 0.000) 10.449 10.764 ( 3.615 0.000 0.000) 3.615 10.858 ( -16.589 0.000 0.000) 16.589 10.879 ( 11.853 0.000 0.000) 11.853 10.955 ( -1.946 0.000 0.000) 1.946 11.234 ( 0.409 0.000 0.000) 0.409 11.459 ( -4.174 0.000 0.000) 4.174 11.563 ( 9.219 0.000 0.000) 9.219 11.901 ( 3.651 0.000 0.000) 3.651 11.924 ( -4.310 0.000 0.000) 4.310 12.180 ( -0.827 0.000 0.000) 0.827 12.188 ( 6.954 0.000 0.000) 6.954 12.750 ( -8.180 0.000 0.000) 8.180 12.942 ( -0.624 0.000 0.000) 0.624 13.213 ( -12.698 0.000 0.000) 12.698 13.922 ( 8.822 0.000 0.000) 8.822 14.070 ( 1.398 0.000 0.000) 1.398 14.181 ( -0.507 0.000 0.000) 0.507 14.471 ( -21.879 0.000 0.000) 21.879 14.893 ( -3.528 0.000 0.000) 3.528 15.515 ( -11.746 0.000 0.000) 11.746 15.791 ( 2.414 0.000 0.000) 2.414 16.150 ( -1.166 0.000 0.000) 1.166 16.354 ( 2.658 0.000 0.000) 2.658 16.380 ( 7.053 0.000 0.000) 7.053 16.604 ( 10.483 0.000 0.000) 10.483 16.768 ( 28.184 0.000 0.000) 28.184 16.947 ( -0.741 0.000 0.000) 0.741 17.239 ( -1.978 0.000 0.000) 1.978 17.479 ( -8.433 0.000 0.000) 8.433 17.960 ( 5.619 0.000 0.000) 5.619 17.973 ( 5.255 0.000 0.000) 5.255 18.298 ( 5.426 0.000 0.000) 5.426 18.372 ( -10.263 0.000 0.000) 10.263 18.664 ( 2.244 0.000 0.000) 2.244 18.741 ( 0.129 0.000 0.000) 0.129 18.757 ( -12.550 0.000 0.000) 12.550 19.216 ( -3.831 0.000 0.000) 3.831 19.268 ( -4.911 0.000 0.000) 4.911 19.398 ( 5.625 0.000 0.000) 5.625 19.522 ( 4.995 0.000 0.000) 4.995 20.128 ( -3.585 0.000 0.000) 3.585 20.815 ( -14.118 0.000 0.000) 14.118 20.948 ( 12.841 0.000 0.000) 12.841 21.959 ( 2.228 0.000 0.000) 2.228 22.987 ( 1.940 0.000 0.000) 1.940 23.222 ( 1.288 0.000 0.000) 1.288 24.508 ( 0.314 0.000 0.000) 0.314 24.558 ( -1.150 0.000 0.000) 1.150 25.521 ( 5.128 0.000 0.000) 5.128 26.605 ( -12.093 0.000 0.000) 12.093 26.895 ( 2.442 0.000 0.000) 2.442 27.014 ( -1.323 0.000 0.000) 1.323 27.402 ( -0.005 0.000 0.000) 0.005 27.405 ( -0.056 0.000 0.000) 0.056 27.493 ( -3.122 0.000 0.000) 3.122 27.511 ( -11.618 0.000 0.000) 11.618 27.621 ( 0.208 0.000 0.000) 0.208 27.639 ( -0.052 0.000 0.000) 0.052 28.476 ( 19.024 0.000 0.000) 19.024 28.543 ( 8.348 0.000 0.000) 8.348 29.725 ( -4.494 0.000 0.000) 4.494 29.789 ( -9.929 0.000 0.000) 9.929 31.616 ( 10.797 0.000 0.000) 10.797 32.654 ( -6.192 0.000 0.000) 6.192 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 40.609 0.000 0.000) 40.609 2.467 ( 55.689 0.000 0.000) 55.689 2.626 ( 3.694 0.000 0.000) 3.694 3.407 ( 66.328 0.000 0.000) 66.328 3.785 ( -13.222 0.000 0.000) 13.222 4.462 ( -37.030 0.000 0.000) 37.030 4.954 ( -35.958 0.000 0.000) 35.958 5.601 ( 6.049 0.000 0.000) 6.049 5.858 ( -5.921 0.000 0.000) 5.921 5.878 ( -5.899 0.000 0.000) 5.899 6.006 ( 9.162 0.000 0.000) 9.162 6.214 ( -0.453 0.000 0.000) 0.453 6.576 ( -14.243 0.000 0.000) 14.243 6.872 ( -18.629 0.000 0.000) 18.629 7.082 ( 10.657 0.000 0.000) 10.657 7.197 ( -17.078 0.000 0.000) 17.078 7.258 ( 16.148 0.000 0.000) 16.148 7.405 ( 7.235 0.000 0.000) 7.235 7.793 ( -10.665 0.000 0.000) 10.665 8.064 ( -10.465 0.000 0.000) 10.465 8.201 ( 8.965 0.000 0.000) 8.965 8.501 ( -18.335 0.000 0.000) 18.335 8.667 ( 6.708 0.000 0.000) 6.708 9.015 ( 0.949 0.000 0.000) 0.949 9.148 ( -13.209 0.000 0.000) 13.209 9.487 ( 4.302 0.000 0.000) 4.302 9.525 ( 17.432 0.000 0.000) 17.432 9.887 ( -5.020 0.000 0.000) 5.020 10.115 ( -2.425 0.000 0.000) 2.425 10.130 ( 17.460 0.000 0.000) 17.460 10.620 ( -0.273 0.000 0.000) 0.273 10.711 ( 8.174 0.000 0.000) 8.174 10.744 ( -6.900 0.000 0.000) 6.900 10.797 ( 10.431 0.000 0.000) 10.431 10.872 ( -3.177 0.000 0.000) 3.177 11.152 ( 11.972 0.000 0.000) 11.972 11.293 ( 4.335 0.000 0.000) 4.335 11.298 ( -10.480 0.000 0.000) 10.480 11.646 ( -0.661 0.000 0.000) 0.661 11.775 ( -8.442 0.000 0.000) 8.442 12.058 ( 11.792 0.000 0.000) 11.792 12.179 ( 1.510 0.000 0.000) 1.510 12.401 ( 11.633 0.000 0.000) 11.633 12.521 ( -12.206 0.000 0.000) 12.206 12.850 ( -20.104 0.000 0.000) 20.104 12.874 ( -6.856 0.000 0.000) 6.856 14.075 ( 3.039 0.000 0.000) 3.039 14.098 ( -9.635 0.000 0.000) 9.635 14.106 ( 1.765 0.000 0.000) 1.765 14.166 ( -0.938 0.000 0.000) 0.938 14.877 ( 3.832 0.000 0.000) 3.832 15.285 ( -10.729 0.000 0.000) 10.729 15.898 ( 7.090 0.000 0.000) 7.090 16.114 ( -2.249 0.000 0.000) 2.249 16.411 ( 3.162 0.000 0.000) 3.162 16.572 ( 10.134 0.000 0.000) 10.134 16.634 ( -2.685 0.000 0.000) 2.685 16.910 ( -3.341 0.000 0.000) 3.341 17.197 ( -1.525 0.000 0.000) 1.525 17.294 ( -7.568 0.000 0.000) 7.568 17.515 ( 33.622 0.000 0.000) 33.622 18.072 ( 2.628 0.000 0.000) 2.628 18.114 ( 7.411 0.000 0.000) 7.411 18.189 ( -4.877 0.000 0.000) 4.877 18.357 ( -1.075 0.000 0.000) 1.075 18.530 ( -8.019 0.000 0.000) 8.019 18.673 ( -1.050 0.000 0.000) 1.050 18.792 ( 5.228 0.000 0.000) 5.228 18.941 ( -18.985 0.000 0.000) 18.985 19.101 ( -6.710 0.000 0.000) 6.710 19.667 ( 8.136 0.000 0.000) 8.136 19.682 ( 15.922 0.000 0.000) 15.922 20.017 ( -6.712 0.000 0.000) 6.712 20.455 ( -18.552 0.000 0.000) 18.552 21.284 ( 17.344 0.000 0.000) 17.344 21.906 ( -7.864 0.000 0.000) 7.864 23.075 ( 5.847 0.000 0.000) 5.847 23.240 ( -0.197 0.000 0.000) 0.197 24.516 ( 0.333 0.000 0.000) 0.333 24.534 ( -0.861 0.000 0.000) 0.861 25.677 ( 9.434 0.000 0.000) 9.434 26.277 ( -17.178 0.000 0.000) 17.178 26.934 ( 1.275 0.000 0.000) 1.275 26.982 ( -1.462 0.000 0.000) 1.462 27.359 ( -2.840 0.000 0.000) 2.840 27.402 ( 0.002 0.000 0.000) 0.002 27.404 ( -0.060 0.000 0.000) 0.060 27.418 ( -3.512 0.000 0.000) 3.512 27.627 ( 0.290 0.000 0.000) 0.290 27.637 ( -0.136 0.000 0.000) 0.136 28.770 ( 12.021 0.000 0.000) 12.021 28.854 ( 14.813 0.000 0.000) 14.813 29.541 ( -11.590 0.000 0.000) 11.590 29.587 ( -8.137 0.000 0.000) 8.137 31.897 ( 14.423 0.000 0.000) 14.423 32.469 ( -10.889 0.000 0.000) 10.889 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -10.718 0.000 0.000) 10.718 2.615 ( 10.718 0.000 0.000) 10.718 3.579 ( -44.523 0.000 0.000) 44.523 3.579 ( 44.523 0.000 0.000) 44.523 3.796 ( -19.103 0.000 0.000) 19.103 3.796 ( 19.103 0.000 0.000) 19.103 5.229 ( -52.912 0.000 0.000) 52.912 5.229 ( 52.912 0.000 0.000) 52.912 5.730 ( -6.063 0.000 0.000) 6.063 5.730 ( 6.063 0.000 0.000) 6.063 6.158 ( -4.891 0.000 0.000) 4.891 6.158 ( 4.891 0.000 0.000) 4.891 6.401 ( -1.280 0.000 0.000) 1.280 6.401 ( 1.280 0.000 0.000) 1.280 7.318 ( -9.356 0.000 0.000) 9.356 7.318 ( 9.356 0.000 0.000) 9.356 7.398 ( -10.494 0.000 0.000) 10.494 7.398 ( 10.494 0.000 0.000) 10.494 7.813 ( -11.376 0.000 0.000) 11.376 7.813 ( 11.376 0.000 0.000) 11.376 8.267 ( -1.765 0.000 0.000) 1.765 8.267 ( 1.765 0.000 0.000) 1.765 8.867 ( -11.885 0.000 0.000) 11.885 8.867 ( 11.885 0.000 0.000) 11.885 9.240 ( -18.376 0.000 0.000) 18.376 9.240 ( 18.376 0.000 0.000) 18.376 9.769 ( -7.207 0.000 0.000) 7.207 9.769 ( 7.207 0.000 0.000) 7.207 10.372 ( -18.385 0.000 0.000) 18.385 10.372 ( 18.385 0.000 0.000) 18.385 10.494 ( -15.364 0.000 0.000) 15.364 10.494 ( 15.364 0.000 0.000) 15.364 10.869 ( -2.718 0.000 0.000) 2.718 10.869 ( 2.718 0.000 0.000) 2.718 11.048 ( -12.170 0.000 0.000) 12.170 11.048 ( 12.170 0.000 0.000) 12.170 11.324 ( -3.103 0.000 0.000) 3.103 11.324 ( 3.103 0.000 0.000) 3.103 11.634 ( -2.589 0.000 0.000) 2.589 11.634 ( 2.589 0.000 0.000) 2.589 12.283 ( -8.602 0.000 0.000) 8.602 12.283 ( 8.602 0.000 0.000) 8.602 12.408 ( -19.867 0.000 0.000) 19.867 12.408 ( 19.867 0.000 0.000) 19.867 12.658 ( -11.995 0.000 0.000) 11.995 12.658 ( 11.995 0.000 0.000) 11.995 14.053 ( -2.627 0.000 0.000) 2.627 14.053 ( 2.627 0.000 0.000) 2.627 14.141 ( -1.432 0.000 0.000) 1.432 14.141 ( 1.432 0.000 0.000) 1.432 15.050 ( -10.729 0.000 0.000) 10.729 15.050 ( 10.729 0.000 0.000) 10.729 16.041 ( -5.141 0.000 0.000) 5.141 16.041 ( 5.141 0.000 0.000) 5.141 16.518 ( -6.670 0.000 0.000) 6.670 16.518 ( 6.670 0.000 0.000) 6.670 16.781 ( -8.594 0.000 0.000) 8.594 16.781 ( 8.594 0.000 0.000) 8.594 17.193 ( -1.762 0.000 0.000) 1.762 17.193 ( 1.762 0.000 0.000) 1.762 18.016 ( -8.982 0.000 0.000) 8.982 18.016 ( 8.982 0.000 0.000) 8.982 18.267 ( -6.386 0.000 0.000) 6.386 18.267 ( 6.386 0.000 0.000) 6.386 18.299 ( -16.300 0.000 0.000) 16.300 18.299 ( 16.300 0.000 0.000) 16.300 18.661 ( -2.754 0.000 0.000) 2.754 18.661 ( 2.754 0.000 0.000) 2.754 18.941 ( -7.822 0.000 0.000) 7.822 18.941 ( 7.822 0.000 0.000) 7.822 19.850 ( -8.567 0.000 0.000) 8.567 19.850 ( 8.567 0.000 0.000) 8.567 20.053 ( -18.511 0.000 0.000) 18.511 20.053 ( 18.511 0.000 0.000) 18.511 21.645 ( -15.518 0.000 0.000) 15.518 21.645 ( 15.518 0.000 0.000) 15.518 23.194 ( -4.287 0.000 0.000) 4.287 23.194 ( 4.287 0.000 0.000) 4.287 24.522 ( -0.349 0.000 0.000) 0.349 24.522 ( 0.349 0.000 0.000) 0.349 25.930 ( -14.362 0.000 0.000) 14.362 25.930 ( 14.362 0.000 0.000) 14.362 26.956 ( -0.983 0.000 0.000) 0.983 26.956 ( 0.983 0.000 0.000) 0.983 27.356 ( -1.866 0.000 0.000) 1.866 27.356 ( 1.866 0.000 0.000) 1.866 27.403 ( -0.029 0.000 0.000) 0.029 27.403 ( 0.029 0.000 0.000) 0.029 27.633 ( -0.239 0.000 0.000) 0.239 27.633 ( 0.239 0.000 0.000) 0.239 28.990 ( -5.029 0.000 0.000) 5.029 28.990 ( 5.029 0.000 0.000) 5.029 29.425 ( -3.856 0.000 0.000) 3.856 29.425 ( 3.856 0.000 0.000) 3.856 32.202 ( -13.721 0.000 0.000) 13.721 32.202 ( 13.721 0.000 0.000) 13.721 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 52.934 0.000) 52.934 1.288 ( 0.000 60.199 0.000) 60.199 1.868 ( 0.000 87.849 0.000) 87.849 2.889 ( 0.000 30.099 0.000) 30.099 4.596 ( 0.000 20.530 0.000) 20.530 4.969 ( 0.000 -31.487 0.000) 31.487 5.476 ( 0.000 -31.575 0.000) 31.575 5.651 ( 0.000 -3.502 0.000) 3.502 5.738 ( 0.000 2.659 0.000) 2.659 6.035 ( 0.000 -1.067 0.000) 1.067 6.104 ( 0.000 -0.206 0.000) 0.206 6.144 ( 0.000 0.019 0.000) 0.019 6.259 ( 0.000 -18.092 0.000) 18.092 6.529 ( 0.000 -16.462 0.000) 16.462 6.780 ( 0.000 -28.425 0.000) 28.425 7.004 ( 0.000 13.998 0.000) 13.998 7.253 ( 0.000 3.954 0.000) 3.954 7.794 ( 0.000 -30.055 0.000) 30.055 7.840 ( 0.000 -6.165 0.000) 6.165 8.233 ( 0.000 -5.987 0.000) 5.987 8.273 ( 0.000 1.327 0.000) 1.327 8.595 ( 0.000 -1.353 0.000) 1.353 8.847 ( 0.000 16.495 0.000) 16.495 8.909 ( 0.000 6.369 0.000) 6.369 8.942 ( 0.000 -7.413 0.000) 7.413 9.300 ( 0.000 9.035 0.000) 9.035 9.303 ( 0.000 3.468 0.000) 3.468 9.699 ( 0.000 -20.329 0.000) 20.329 10.029 ( 0.000 13.065 0.000) 13.065 10.303 ( 0.000 4.729 0.000) 4.729 10.351 ( 0.000 -6.745 0.000) 6.745 10.530 ( 0.000 5.311 0.000) 5.311 10.683 ( 0.000 -2.920 0.000) 2.920 10.789 ( 0.000 6.284 0.000) 6.284 10.913 ( 0.000 -0.945 0.000) 0.945 11.238 ( 0.000 0.380 0.000) 0.380 11.261 ( 0.000 5.694 0.000) 5.694 11.606 ( 0.000 21.320 0.000) 21.320 11.722 ( 0.000 16.794 0.000) 16.794 11.816 ( 0.000 -4.869 0.000) 4.869 11.850 ( 0.000 -9.457 0.000) 9.457 12.102 ( 0.000 -7.965 0.000) 7.965 12.352 ( 0.000 -7.717 0.000) 7.717 12.784 ( 0.000 -9.792 0.000) 9.792 12.880 ( 0.000 3.230 0.000) 3.230 13.297 ( 0.000 -4.990 0.000) 4.990 13.708 ( 0.000 -5.154 0.000) 5.154 13.918 ( 0.000 6.697 0.000) 6.697 14.058 ( 0.000 0.432 0.000) 0.432 14.176 ( 0.000 -1.037 0.000) 1.037 15.086 ( 0.000 -1.287 0.000) 1.287 15.212 ( 0.000 -1.482 0.000) 1.482 15.814 ( 0.000 4.325 0.000) 4.325 15.921 ( 0.000 -23.404 0.000) 23.404 15.953 ( 0.000 17.477 0.000) 17.477 16.375 ( 0.000 13.285 0.000) 13.285 16.384 ( 0.000 7.449 0.000) 7.449 16.949 ( 0.000 -0.622 0.000) 0.622 16.951 ( 0.000 15.899 0.000) 15.899 17.253 ( 0.000 -0.890 0.000) 0.890 17.498 ( 0.000 -6.959 0.000) 6.959 17.835 ( 0.000 -5.240 0.000) 5.240 17.988 ( 0.000 5.779 0.000) 5.779 18.235 ( 0.000 1.395 0.000) 1.395 18.551 ( 0.000 -0.467 0.000) 0.467 18.605 ( 0.000 3.657 0.000) 3.657 18.746 ( 0.000 0.179 0.000) 0.179 18.940 ( 0.000 -4.526 0.000) 4.526 19.153 ( 0.000 -7.329 0.000) 7.329 19.363 ( 0.000 -5.412 0.000) 5.412 19.576 ( 0.000 7.751 0.000) 7.751 20.136 ( 0.000 -2.873 0.000) 2.873 20.799 ( 0.000 -0.501 0.000) 0.501 20.881 ( 0.000 -8.490 0.000) 8.490 21.398 ( 0.000 8.689 0.000) 8.689 22.236 ( 0.000 -0.780 0.000) 0.780 22.751 ( 0.000 4.766 0.000) 4.766 23.232 ( 0.000 -5.527 0.000) 5.527 24.449 ( 0.000 -4.696 0.000) 4.696 24.482 ( 0.000 -7.242 0.000) 7.242 25.247 ( 0.000 4.860 0.000) 4.860 25.522 ( 0.000 1.432 0.000) 1.432 26.815 ( 0.000 5.351 0.000) 5.351 27.075 ( 0.000 3.800 0.000) 3.800 27.147 ( 0.000 4.085 0.000) 4.085 27.416 ( 0.000 1.231 0.000) 1.231 27.421 ( 0.000 1.422 0.000) 1.422 27.485 ( 0.000 -4.123 0.000) 4.123 27.602 ( 0.000 -1.517 0.000) 1.517 27.624 ( 0.000 -1.435 0.000) 1.435 27.797 ( 0.000 6.091 0.000) 6.091 28.590 ( 0.000 -5.105 0.000) 5.105 29.810 ( 0.000 3.767 0.000) 3.767 31.150 ( 0.000 -22.334 0.000) 22.334 32.104 ( 0.000 15.549 0.000) 15.549 32.712 ( 0.000 -1.045 0.000) 1.045 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 32.349 37.852 0.000) 49.792 1.675 ( 35.821 40.766 0.000) 54.268 2.609 ( 55.566 62.055 0.000) 83.297 2.911 ( 2.225 30.503 0.000) 30.585 4.348 ( -17.998 16.966 0.000) 24.734 4.904 ( -13.644 -24.089 0.000) 27.684 5.413 ( -12.252 -26.393 0.000) 29.098 5.559 ( -5.056 4.260 0.000) 6.611 5.780 ( 7.523 -1.249 0.000) 7.626 5.790 ( -11.701 -7.967 0.000) 14.156 5.958 ( -6.614 -3.751 0.000) 7.603 6.173 ( 1.715 -1.543 0.000) 2.307 6.493 ( 12.227 -20.872 0.000) 24.190 6.625 ( 1.447 -15.864 0.000) 15.930 6.721 ( -1.573 -15.581 0.000) 15.660 7.116 ( 8.908 10.313 0.000) 13.628 7.246 ( 1.922 0.701 0.000) 2.046 7.692 ( -7.799 -25.947 0.000) 27.094 8.027 ( -0.209 4.821 0.000) 4.825 8.190 ( -4.060 -4.645 0.000) 6.169 8.255 ( -21.993 3.178 0.000) 22.221 8.488 ( 4.205 -20.546 0.000) 20.972 8.834 ( 0.395 17.132 0.000) 17.136 8.949 ( 3.535 -0.388 0.000) 3.556 9.021 ( 9.359 -8.093 0.000) 12.373 9.314 ( 3.163 0.384 0.000) 3.187 9.402 ( 4.257 5.163 0.000) 6.691 9.775 ( 6.586 -18.293 0.000) 19.443 9.983 ( 0.143 10.901 0.000) 10.901 10.226 ( -5.198 4.306 0.000) 6.750 10.411 ( -4.162 1.937 0.000) 4.591 10.512 ( 7.320 3.406 0.000) 8.074 10.825 ( 11.200 -4.128 0.000) 11.937 10.834 ( 2.364 5.543 0.000) 6.026 10.921 ( -8.340 -5.963 0.000) 10.253 11.143 ( -2.052 5.346 0.000) 5.726 11.230 ( -0.010 0.005 0.000) 0.011 11.497 ( -5.845 12.467 0.000) 13.769 11.686 ( -3.860 14.944 0.000) 15.434 11.856 ( 4.230 -4.271 0.000) 6.011 11.902 ( 2.416 -7.434 0.000) 7.817 12.099 ( 0.030 -7.164 0.000) 7.164 12.308 ( -0.140 4.530 0.000) 4.533 12.787 ( -8.295 3.096 0.000) 8.854 12.909 ( 7.066 -1.149 0.000) 7.159 13.161 ( -12.159 -4.456 0.000) 12.950 13.339 ( 0.942 -27.139 0.000) 27.156 14.075 ( 1.469 0.496 0.000) 1.551 14.175 ( -0.140 -0.632 0.000) 0.648 14.292 ( -16.088 -11.931 0.000) 20.029 14.940 ( 6.745 5.592 0.000) 8.762 15.484 ( -9.644 -3.930 0.000) 10.414 15.787 ( 19.343 -14.603 0.000) 24.236 16.040 ( 12.445 23.563 0.000) 26.648 16.150 ( 8.426 -11.798 0.000) 14.498 16.450 ( 5.825 6.191 0.000) 8.500 16.716 ( 23.020 3.445 0.000) 23.277 16.931 ( 0.823 16.491 0.000) 16.512 16.939 ( -1.025 -0.907 0.000) 1.369 17.227 ( -1.928 -0.830 0.000) 2.099 17.451 ( -4.498 -2.796 0.000) 5.296 17.916 ( 7.200 -4.853 0.000) 8.682 17.985 ( 1.466 1.579 0.000) 2.155 18.303 ( 3.562 -0.264 0.000) 3.572 18.458 ( -9.996 6.277 0.000) 11.804 18.573 ( -0.558 -4.153 0.000) 4.191 18.752 ( 1.552 1.488 0.000) 2.150 18.859 ( -7.426 -2.124 0.000) 7.724 19.171 ( 0.785 -3.813 0.000) 3.893 19.347 ( -4.146 -3.127 0.000) 5.193 19.586 ( 1.477 5.432 0.000) 5.629 20.098 ( -3.576 -2.867 0.000) 4.584 20.232 ( -36.198 38.140 0.000) 52.583 20.677 ( -11.628 -7.616 0.000) 13.900 21.219 ( 5.490 20.395 0.000) 21.122 22.040 ( -2.025 6.498 0.000) 6.806 22.971 ( 3.992 -1.104 0.000) 4.142 23.149 ( -0.800 -6.318 0.000) 6.368 24.455 ( 0.611 -4.350 0.000) 4.393 24.515 ( -0.198 -4.138 0.000) 4.143 25.520 ( 5.597 -0.605 0.000) 5.630 26.163 ( 25.487 -36.568 0.000) 44.573 26.854 ( 5.287 2.945 0.000) 6.052 27.030 ( -2.791 0.863 0.000) 2.921 27.235 ( 7.209 -1.386 0.000) 7.341 27.416 ( -0.002 1.240 0.000) 1.240 27.420 ( -0.054 1.417 0.000) 1.418 27.605 ( 0.213 -1.515 0.000) 1.530 27.620 ( 14.820 -11.124 0.000) 18.531 27.623 ( -0.059 -1.440 0.000) 1.441 27.665 ( -8.731 7.592 0.000) 11.570 28.686 ( 6.695 -7.817 0.000) 10.292 29.733 ( -6.445 5.201 0.000) 8.282 30.640 ( -35.862 10.664 0.000) 37.414 31.871 ( 0.072 22.747 0.000) 22.747 32.691 ( -4.785 1.505 0.000) 5.016 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 36.797 24.418 0.000) 44.162 2.610 ( 47.804 17.082 0.000) 50.764 2.985 ( 4.011 31.428 0.000) 31.683 3.829 ( 45.310 32.577 0.000) 55.806 3.961 ( -15.790 15.492 0.000) 22.121 4.382 ( -30.090 -6.970 0.000) 30.886 4.901 ( -19.815 -0.364 0.000) 19.818 5.575 ( 4.343 -2.349 0.000) 4.938 5.770 ( 3.717 -15.693 0.000) 16.127 5.821 ( -6.072 -3.938 0.000) 7.237 5.973 ( 8.756 -3.014 0.000) 9.260 6.186 ( -0.893 -2.597 0.000) 2.746 6.415 ( -13.788 -15.840 0.000) 21.000 6.737 ( 11.315 -24.895 0.000) 27.346 6.786 ( -13.699 -2.152 0.000) 13.867 7.138 ( -10.147 -2.849 0.000) 10.540 7.207 ( -5.081 -16.724 0.000) 17.479 7.543 ( -13.263 9.123 0.000) 16.098 7.627 ( 5.972 -2.696 0.000) 6.552 8.058 ( -8.234 -1.439 0.000) 8.358 8.238 ( 6.248 3.973 0.000) 7.404 8.501 ( -1.268 -2.344 0.000) 2.665 8.902 ( 6.174 18.026 0.000) 19.054 8.976 ( 0.539 -6.187 0.000) 6.211 9.309 ( 12.168 -17.701 0.000) 21.480 9.325 ( -9.854 13.712 0.000) 16.885 9.368 ( 2.525 -7.877 0.000) 8.272 9.928 ( -2.691 -2.683 0.000) 3.800 9.961 ( -8.772 -13.018 0.000) 15.697 10.169 ( 15.191 3.148 0.000) 15.513 10.319 ( -3.539 -5.976 0.000) 6.945 10.738 ( 5.985 0.894 0.000) 6.052 10.778 ( -8.314 1.610 0.000) 8.469 10.841 ( 9.352 8.693 0.000) 12.768 11.085 ( 11.431 -4.542 0.000) 12.301 11.171 ( 3.964 0.668 0.000) 4.020 11.271 ( 2.785 -1.642 0.000) 3.233 11.338 ( -7.664 0.320 0.000) 7.671 11.556 ( -7.960 6.188 0.000) 10.082 11.795 ( -12.827 -1.043 0.000) 12.869 12.025 ( 12.081 -3.304 0.000) 12.524 12.129 ( 3.621 -4.393 0.000) 5.693 12.461 ( 13.126 5.005 0.000) 14.048 12.555 ( -12.465 2.804 0.000) 12.777 12.815 ( -19.222 -3.002 0.000) 19.455 12.996 ( -2.414 8.030 0.000) 8.385 13.482 ( 9.083 -34.527 0.000) 35.702 13.903 ( -13.508 -15.524 0.000) 20.578 14.112 ( 1.778 0.545 0.000) 1.860 14.167 ( -0.671 0.010 0.000) 0.671 15.029 ( 2.318 10.681 0.000) 10.930 15.253 ( -9.519 0.047 0.000) 9.519 16.083 ( 10.515 -1.290 0.000) 10.594 16.280 ( 3.251 -5.033 0.000) 5.992 16.349 ( 12.227 17.553 0.000) 21.392 16.608 ( 8.349 3.182 0.000) 8.935 16.782 ( -6.458 18.105 0.000) 19.222 16.894 ( -3.529 -1.484 0.000) 3.828 17.197 ( -0.412 0.583 0.000) 0.713 17.328 ( -6.050 2.329 0.000) 6.483 17.338 ( 24.119 -11.450 0.000) 26.698 18.068 ( 5.705 -3.425 0.000) 6.654 18.070 ( -1.751 -8.291 0.000) 8.474 18.242 ( -1.232 5.532 0.000) 5.667 18.309 ( -3.086 -4.500 0.000) 5.456 18.569 ( -2.785 4.735 0.000) 5.493 18.670 ( -4.590 1.379 0.000) 4.793 18.846 ( 6.949 4.934 0.000) 8.523 19.129 ( -13.980 7.905 0.000) 16.060 19.141 ( -4.050 2.921 0.000) 4.993 19.667 ( 6.167 0.263 0.000) 6.173 19.941 ( 2.576 21.896 0.000) 22.047 19.987 ( -6.606 -2.761 0.000) 7.160 20.403 ( -13.617 -3.548 0.000) 14.072 21.433 ( 12.824 13.074 0.000) 18.313 21.958 ( -7.485 4.950 0.000) 8.974 23.024 ( 3.503 -4.842 0.000) 5.976 23.165 ( -0.071 -6.661 0.000) 6.662 24.471 ( 0.866 -3.417 0.000) 3.525 24.502 ( -0.679 -2.987 0.000) 3.064 25.674 ( 9.103 -0.459 0.000) 9.115 26.189 ( -11.145 -9.265 0.000) 14.493 26.943 ( 1.709 2.027 0.000) 2.651 26.982 ( -1.471 -0.371 0.000) 1.517 27.352 ( 3.400 1.237 0.000) 3.618 27.416 ( 0.023 1.276 0.000) 1.276 27.418 ( -0.076 1.389 0.000) 1.391 27.501 ( -5.478 5.467 0.000) 7.739 27.611 ( 0.303 -1.504 0.000) 1.534 27.621 ( -0.151 -1.455 0.000) 1.463 28.107 ( 24.539 -27.813 0.000) 37.091 28.765 ( -1.983 -17.680 0.000) 17.791 29.615 ( -1.679 10.987 0.000) 11.115 30.047 ( -19.943 17.346 0.000) 26.431 32.029 ( 11.252 11.662 0.000) 16.205 32.526 ( -9.931 4.116 0.000) 10.750 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -15.882 26.771 0.000) 31.127 2.930 ( 15.882 26.771 0.000) 31.127 3.609 ( -42.823 5.296 0.000) 43.149 3.609 ( 42.823 5.296 0.000) 43.149 3.855 ( -11.757 6.154 0.000) 13.270 3.855 ( 11.757 6.154 0.000) 13.270 5.486 ( -44.977 19.556 0.000) 49.044 5.486 ( 44.977 19.556 0.000) 49.044 5.691 ( -5.997 -4.056 0.000) 7.240 5.691 ( 5.997 -4.056 0.000) 7.240 6.124 ( -5.030 -3.089 0.000) 5.903 6.124 ( 5.030 -3.089 0.000) 5.903 6.224 ( -6.082 -15.332 0.000) 16.494 6.224 ( 6.082 -15.332 0.000) 16.494 6.990 ( -12.119 -26.303 0.000) 28.961 6.990 ( 12.119 -26.303 0.000) 28.961 7.320 ( -13.174 -3.536 0.000) 13.641 7.320 ( 13.174 -3.536 0.000) 13.641 7.845 ( -11.293 2.257 0.000) 11.517 7.845 ( 11.293 2.257 0.000) 11.517 8.393 ( -8.780 8.084 0.000) 11.935 8.393 ( 8.780 8.084 0.000) 11.935 9.089 ( -10.769 17.585 0.000) 20.620 9.089 ( 10.769 17.585 0.000) 20.620 9.158 ( -15.064 -8.635 0.000) 17.364 9.158 ( 15.064 -8.635 0.000) 17.364 9.616 ( -11.503 -13.806 0.000) 17.970 9.616 ( 11.503 -13.806 0.000) 17.970 10.141 ( -10.881 -12.118 0.000) 16.286 10.141 ( 10.881 -12.118 0.000) 16.286 10.513 ( -15.372 0.773 0.000) 15.391 10.513 ( 15.372 0.773 0.000) 15.391 10.903 ( -8.360 3.309 0.000) 8.991 10.903 ( 8.360 3.309 0.000) 8.991 11.263 ( -4.481 -4.509 0.000) 6.357 11.263 ( 4.481 -4.509 0.000) 6.357 11.314 ( -5.648 10.714 0.000) 12.111 11.314 ( 5.648 10.714 0.000) 12.111 11.461 ( -11.907 -6.980 0.000) 13.802 11.461 ( 11.907 -6.980 0.000) 13.802 12.264 ( -5.633 -3.144 0.000) 6.451 12.264 ( 5.633 -3.144 0.000) 6.451 12.404 ( -14.568 0.888 0.000) 14.595 12.404 ( 14.568 0.888 0.000) 14.595 12.778 ( -14.901 6.856 0.000) 16.403 12.778 ( 14.901 6.856 0.000) 16.403 13.690 ( -9.306 -24.127 0.000) 25.860 13.690 ( 9.306 -24.127 0.000) 25.860 14.146 ( -1.326 0.408 0.000) 1.387 14.146 ( 1.326 0.408 0.000) 1.387 15.098 ( -4.922 6.276 0.000) 7.975 15.098 ( 4.922 6.276 0.000) 7.975 16.258 ( -5.139 0.087 0.000) 5.140 16.258 ( 5.139 0.087 0.000) 5.140 16.590 ( -10.783 18.753 0.000) 21.632 16.590 ( 10.783 18.753 0.000) 21.632 16.779 ( -7.097 -0.154 0.000) 7.099 16.779 ( 7.097 -0.154 0.000) 7.099 17.225 ( -3.189 2.794 0.000) 4.239 17.225 ( 3.189 2.794 0.000) 4.239 17.783 ( -17.843 -15.340 0.000) 23.531 17.783 ( 17.843 -15.340 0.000) 23.531 18.201 ( -6.223 -5.428 0.000) 8.257 18.201 ( 6.223 -5.428 0.000) 8.257 18.404 ( -8.528 5.116 0.000) 9.944 18.404 ( 8.528 5.116 0.000) 9.944 18.819 ( -13.573 10.594 0.000) 17.218 18.819 ( 13.573 10.594 0.000) 17.218 19.011 ( -7.579 5.718 0.000) 9.494 19.011 ( 7.579 5.718 0.000) 9.494 19.827 ( -8.058 -2.169 0.000) 8.344 19.827 ( 8.058 -2.169 0.000) 8.344 20.120 ( -12.020 6.236 0.000) 13.541 20.120 ( 12.020 6.236 0.000) 13.541 21.724 ( -13.398 7.521 0.000) 15.365 21.724 ( 13.398 7.521 0.000) 15.365 23.117 ( -4.130 -7.079 0.000) 8.196 23.117 ( 4.130 -7.079 0.000) 8.196 24.488 ( -0.691 -2.866 0.000) 2.948 24.488 ( 0.691 -2.866 0.000) 2.948 25.911 ( -12.915 -1.849 0.000) 13.047 25.911 ( 12.915 -1.849 0.000) 13.047 26.962 ( -0.674 1.042 0.000) 1.241 26.962 ( 0.674 1.042 0.000) 1.241 27.415 ( -3.068 4.455 0.000) 5.409 27.415 ( 3.068 4.455 0.000) 5.409 27.417 ( -0.060 1.334 0.000) 1.336 27.417 ( 0.060 1.334 0.000) 1.336 27.617 ( -0.258 -1.480 0.000) 1.503 27.617 ( 0.258 -1.480 0.000) 1.503 28.555 ( -16.584 -26.048 0.000) 30.880 28.555 ( 16.584 -26.048 0.000) 30.880 29.723 ( -10.870 14.839 0.000) 18.395 29.723 ( 10.870 14.839 0.000) 18.395 32.286 ( -12.122 6.886 0.000) 13.942 32.286 ( 12.122 6.886 0.000) 13.942 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 0.000 50.579 0.000) 50.579 2.516 ( 0.000 56.122 0.000) 56.122 3.669 ( 0.000 81.732 0.000) 81.732 3.688 ( 0.000 43.086 0.000) 43.086 4.183 ( 0.000 -41.676 0.000) 41.676 4.663 ( 0.000 -43.158 0.000) 43.158 5.161 ( 0.000 30.310 0.000) 30.310 5.405 ( 0.000 -27.075 0.000) 27.075 5.825 ( 0.000 6.205 0.000) 6.205 5.827 ( 0.000 -11.799 0.000) 11.799 5.972 ( 0.000 -5.440 0.000) 5.440 6.112 ( 0.000 1.647 0.000) 1.647 6.135 ( 0.000 -3.001 0.000) 3.001 6.150 ( 0.000 -16.766 0.000) 16.766 6.230 ( 0.000 -25.303 0.000) 25.303 6.974 ( 0.000 -31.356 0.000) 31.356 7.184 ( 0.000 -10.268 0.000) 10.268 7.340 ( 0.000 -34.561 0.000) 34.561 7.466 ( 0.000 12.797 0.000) 12.797 8.056 ( 0.000 -10.674 0.000) 10.674 8.346 ( 0.000 5.220 0.000) 5.220 8.509 ( 0.000 -3.907 0.000) 3.907 8.901 ( 0.000 1.242 0.000) 1.242 8.954 ( 0.000 -1.391 0.000) 1.391 9.156 ( 0.000 12.267 0.000) 12.267 9.369 ( 0.000 1.764 0.000) 1.764 9.523 ( 0.000 12.413 0.000) 12.413 9.606 ( 0.000 10.895 0.000) 10.895 10.206 ( 0.000 -11.568 0.000) 11.568 10.225 ( 0.000 -5.589 0.000) 5.589 10.304 ( 0.000 11.266 0.000) 11.266 10.597 ( 0.000 -4.856 0.000) 4.856 10.770 ( 0.000 14.361 0.000) 14.361 10.978 ( 0.000 11.134 0.000) 11.134 10.986 ( 0.000 4.787 0.000) 4.787 11.268 ( 0.000 1.975 0.000) 1.975 11.330 ( 0.000 -0.350 0.000) 0.350 11.527 ( 0.000 -17.971 0.000) 17.971 11.680 ( 0.000 -6.652 0.000) 6.652 11.858 ( 0.000 1.710 0.000) 1.710 11.888 ( 0.000 -11.520 0.000) 11.520 11.918 ( 0.000 -3.985 0.000) 3.985 12.403 ( 0.000 18.389 0.000) 18.389 12.743 ( 0.000 4.843 0.000) 4.843 12.960 ( 0.000 4.185 0.000) 4.185 13.173 ( 0.000 -6.124 0.000) 6.124 13.702 ( 0.000 5.075 0.000) 5.075 14.022 ( 0.000 1.210 0.000) 1.210 14.075 ( 0.000 1.238 0.000) 1.238 14.146 ( 0.000 -1.723 0.000) 1.723 15.069 ( 0.000 -2.758 0.000) 2.758 15.075 ( 0.000 -8.079 0.000) 8.079 15.465 ( 0.000 -13.221 0.000) 13.221 15.743 ( 0.000 -9.287 0.000) 9.287 16.492 ( 0.000 25.266 0.000) 25.266 16.583 ( 0.000 10.616 0.000) 10.616 16.705 ( 0.000 14.238 0.000) 14.238 16.915 ( 0.000 -3.145 0.000) 3.145 17.222 ( 0.000 10.428 0.000) 10.428 17.235 ( 0.000 -0.571 0.000) 0.571 17.344 ( 0.000 -6.739 0.000) 6.739 17.683 ( 0.000 -9.332 0.000) 9.332 18.115 ( 0.000 5.807 0.000) 5.807 18.255 ( 0.000 -0.071 0.000) 0.071 18.599 ( 0.000 6.207 0.000) 6.207 18.698 ( 0.000 4.401 0.000) 4.401 18.768 ( 0.000 2.339 0.000) 2.339 18.838 ( 0.000 -4.120 0.000) 4.120 18.994 ( 0.000 -7.421 0.000) 7.421 19.167 ( 0.000 -13.384 0.000) 13.384 19.748 ( 0.000 8.222 0.000) 8.222 20.048 ( 0.000 -5.414 0.000) 5.414 20.717 ( 0.000 -5.255 0.000) 5.255 20.757 ( 0.000 -3.336 0.000) 3.336 21.650 ( 0.000 14.296 0.000) 14.296 22.164 ( 0.000 -6.688 0.000) 6.688 22.867 ( 0.000 5.639 0.000) 5.639 23.097 ( 0.000 -6.467 0.000) 6.467 24.334 ( 0.000 -5.566 0.000) 5.566 24.341 ( 0.000 -4.748 0.000) 4.748 25.364 ( 0.000 5.761 0.000) 5.761 25.532 ( 0.000 -1.027 0.000) 1.027 26.959 ( 0.000 7.813 0.000) 7.813 27.183 ( 0.000 5.873 0.000) 5.873 27.214 ( 0.000 0.553 0.000) 0.553 27.376 ( 0.000 -5.321 0.000) 5.321 27.452 ( 0.000 2.170 0.000) 2.170 27.463 ( 0.000 2.531 0.000) 2.531 27.559 ( 0.000 -2.465 0.000) 2.465 27.581 ( 0.000 -2.536 0.000) 2.536 27.974 ( 0.000 10.329 0.000) 10.329 28.435 ( 0.000 -9.403 0.000) 9.403 29.951 ( 0.000 10.087 0.000) 10.087 30.670 ( 0.000 -22.329 0.000) 22.329 32.390 ( 0.000 11.202 0.000) 11.202 32.672 ( 0.000 -3.017 0.000) 3.017 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 17.846 44.070 0.000) 47.547 2.695 ( 16.945 51.764 0.000) 54.467 3.713 ( 2.797 42.003 0.000) 42.096 4.014 ( 28.114 65.263 0.000) 71.061 4.167 ( -2.742 -33.547 0.000) 33.659 4.728 ( 6.464 -36.107 0.000) 36.681 4.939 ( -16.386 24.671 0.000) 29.617 5.495 ( 4.032 -20.867 0.000) 21.253 5.612 ( -22.311 -6.742 0.000) 23.307 5.679 ( -8.628 -6.802 0.000) 10.987 5.848 ( 0.438 2.090 0.000) 2.135 6.096 ( -4.470 -25.267 0.000) 25.659 6.124 ( 0.272 -2.913 0.000) 2.926 6.181 ( 3.923 -5.100 0.000) 6.434 6.515 ( 16.223 -11.315 0.000) 19.779 6.875 ( -8.570 -31.558 0.000) 32.701 7.179 ( 3.116 -8.294 0.000) 8.860 7.550 ( 7.129 12.044 0.000) 13.995 7.582 ( 12.374 -36.132 0.000) 38.192 8.048 ( -1.040 -8.782 0.000) 8.843 8.379 ( 0.251 8.662 0.000) 8.665 8.415 ( -8.326 7.021 0.000) 10.891 8.758 ( -2.495 -6.585 0.000) 7.042 9.007 ( -2.080 -8.434 0.000) 8.686 9.181 ( 3.147 14.785 0.000) 15.117 9.330 ( -10.369 10.584 0.000) 14.817 9.480 ( 8.207 1.188 0.000) 8.293 9.689 ( 1.808 4.569 0.000) 4.914 10.222 ( 4.424 -7.943 0.000) 9.092 10.238 ( -3.882 11.961 0.000) 12.575 10.290 ( -4.372 -9.118 0.000) 10.112 10.677 ( 4.814 -8.840 0.000) 10.066 10.686 ( -1.235 12.715 0.000) 12.775 10.907 ( -6.279 7.739 0.000) 9.965 11.015 ( 2.802 10.270 0.000) 10.646 11.193 ( -7.695 -3.731 0.000) 8.552 11.252 ( -0.757 1.758 0.000) 1.914 11.538 ( -1.313 -19.804 0.000) 19.847 11.726 ( -10.797 6.271 0.000) 12.486 11.738 ( 5.632 -5.703 0.000) 8.015 11.908 ( 2.266 -10.201 0.000) 10.450 11.955 ( 1.783 -1.607 0.000) 2.400 12.446 ( 4.306 16.747 0.000) 17.292 12.863 ( -8.673 3.880 0.000) 9.501 12.947 ( 13.156 2.936 0.000) 13.480 13.052 ( -10.831 -5.356 0.000) 12.083 13.185 ( -19.392 8.948 0.000) 21.357 14.024 ( -17.981 -15.059 0.000) 23.454 14.093 ( 1.481 1.199 0.000) 1.905 14.154 ( 0.599 -1.315 0.000) 1.445 15.110 ( 13.639 9.477 0.000) 16.609 15.352 ( 1.221 -7.780 0.000) 7.875 15.508 ( 13.150 -8.543 0.000) 15.681 15.874 ( 9.171 -14.701 0.000) 17.327 16.615 ( 2.827 8.761 0.000) 9.206 16.631 ( 11.914 25.107 0.000) 27.791 16.853 ( 11.949 9.564 0.000) 15.305 16.898 ( -1.594 -3.352 0.000) 3.712 17.222 ( -0.456 0.701 0.000) 0.836 17.233 ( 1.048 11.480 0.000) 11.528 17.364 ( 0.984 -4.968 0.000) 5.064 17.750 ( 5.419 -11.268 0.000) 12.504 18.050 ( -3.617 4.499 0.000) 5.772 18.262 ( -1.405 -3.718 0.000) 3.975 18.548 ( -10.169 4.977 0.000) 11.322 18.634 ( 1.509 7.505 0.000) 7.655 18.754 ( -6.980 -6.111 0.000) 9.277 18.819 ( 5.317 4.846 0.000) 7.194 19.069 ( 5.781 -5.666 0.000) 8.094 19.197 ( 1.398 -11.622 0.000) 11.706 19.725 ( -1.869 7.301 0.000) 7.536 20.010 ( -3.498 -5.349 0.000) 6.391 20.562 ( -11.295 -0.945 0.000) 11.335 20.602 ( -12.782 3.508 0.000) 13.255 21.652 ( 2.733 18.792 0.000) 18.990 22.133 ( -1.344 -0.161 0.000) 1.354 22.953 ( 3.124 -0.678 0.000) 3.197 23.007 ( -5.225 -5.618 0.000) 7.672 24.362 ( 1.942 -3.597 0.000) 4.088 24.404 ( 3.041 -5.356 0.000) 6.159 25.496 ( 7.347 -0.662 0.000) 7.377 25.681 ( 14.263 -11.406 0.000) 18.263 26.985 ( 2.019 7.592 0.000) 7.856 27.088 ( -4.585 3.697 0.000) 5.890 27.295 ( 4.103 3.316 0.000) 5.275 27.453 ( 0.034 2.189 0.000) 2.190 27.462 ( -0.093 2.492 0.000) 2.493 27.463 ( 7.285 -6.213 0.000) 9.575 27.562 ( 0.218 -2.456 0.000) 2.466 27.581 ( -0.056 -2.523 0.000) 2.523 27.865 ( -7.650 11.440 0.000) 13.762 28.447 ( -0.494 -13.796 0.000) 13.805 29.901 ( -3.870 10.715 0.000) 11.393 30.503 ( -13.886 -14.529 0.000) 20.098 32.296 ( -3.915 15.865 0.000) 16.341 32.674 ( -1.898 -3.278 0.000) 3.788 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 26.821 30.851 0.000) 40.879 3.213 ( 29.986 38.110 0.000) 48.493 3.811 ( 3.539 43.966 0.000) 44.108 4.015 ( -9.388 -16.642 0.000) 19.107 4.407 ( -6.909 15.965 0.000) 17.396 4.543 ( -19.547 26.952 0.000) 33.294 5.064 ( 26.120 -6.375 0.000) 26.887 5.292 ( 1.379 -6.695 0.000) 6.835 5.490 ( -2.144 -7.497 0.000) 7.797 5.570 ( -2.543 -24.889 0.000) 25.019 5.904 ( 5.015 -1.645 0.000) 5.278 5.955 ( -5.580 -15.920 0.000) 16.869 6.105 ( -2.175 -5.551 0.000) 5.962 6.285 ( 5.639 -11.637 0.000) 12.931 6.652 ( -11.241 -28.243 0.000) 30.398 6.848 ( 10.087 1.054 0.000) 10.142 7.161 ( -9.880 3.715 0.000) 10.555 7.551 ( -13.629 -14.930 0.000) 20.215 7.726 ( 8.488 7.727 0.000) 11.478 7.999 ( -3.652 -4.145 0.000) 5.524 8.275 ( 5.068 2.135 0.000) 5.499 8.469 ( 3.730 5.443 0.000) 6.598 8.752 ( 0.346 -10.793 0.000) 10.799 8.970 ( 1.712 -15.047 0.000) 15.144 9.256 ( 2.525 -2.114 0.000) 3.293 9.300 ( 7.663 18.048 0.000) 19.607 9.593 ( -0.210 8.900 0.000) 8.902 9.624 ( -9.112 -14.433 0.000) 17.068 9.933 ( -17.121 2.689 0.000) 17.331 10.242 ( 6.151 4.323 0.000) 7.518 10.245 ( -8.623 -7.824 0.000) 11.643 10.680 ( -5.989 -11.178 0.000) 12.681 10.786 ( 4.385 5.082 0.000) 6.713 10.915 ( 13.194 4.300 0.000) 13.877 11.096 ( 5.214 5.887 0.000) 7.864 11.178 ( 5.961 2.010 0.000) 6.291 11.252 ( -0.123 0.007 0.000) 0.124 11.392 ( -12.606 -9.834 0.000) 15.989 11.484 ( -9.088 1.132 0.000) 9.158 11.881 ( -10.056 0.259 0.000) 10.060 11.929 ( 12.095 -4.685 0.000) 12.971 12.009 ( 7.456 -6.593 0.000) 9.953 12.600 ( 10.543 10.233 0.000) 14.692 12.621 ( -12.796 3.227 0.000) 13.196 12.746 ( -16.682 -3.147 0.000) 16.976 13.001 ( -2.359 -4.126 0.000) 4.753 13.178 ( 7.477 3.473 0.000) 8.244 13.616 ( -15.862 -12.265 0.000) 20.051 14.128 ( 1.588 0.950 0.000) 1.850 14.163 ( 0.077 -0.440 0.000) 0.446 15.259 ( 2.609 11.742 0.000) 12.028 15.346 ( -0.833 8.052 0.000) 8.095 15.830 ( 13.207 -14.149 0.000) 19.355 16.035 ( 4.252 -17.212 0.000) 17.730 16.691 ( 4.009 4.334 0.000) 5.904 16.848 ( -2.946 -2.799 0.000) 4.063 16.905 ( 11.911 24.851 0.000) 27.558 17.110 ( 8.283 6.712 0.000) 10.661 17.236 ( 1.876 3.087 0.000) 3.612 17.283 ( 5.876 10.927 0.000) 12.406 17.357 ( -1.909 -0.262 0.000) 1.927 17.800 ( -4.926 -13.705 0.000) 14.563 18.018 ( 0.917 -0.446 0.000) 1.020 18.187 ( -4.891 -6.455 0.000) 8.099 18.334 ( -5.025 1.154 0.000) 5.156 18.565 ( -9.978 -8.727 0.000) 13.256 18.764 ( 10.412 11.166 0.000) 15.268 18.978 ( 8.482 6.893 0.000) 10.930 19.176 ( 2.561 -0.525 0.000) 2.615 19.181 ( -3.578 -3.064 0.000) 4.711 19.698 ( 0.414 3.070 0.000) 3.097 19.905 ( -6.103 -4.899 0.000) 7.826 20.327 ( -7.369 9.968 0.000) 12.396 20.383 ( -7.882 3.276 0.000) 8.536 21.768 ( 7.344 16.991 0.000) 18.511 22.088 ( -4.093 5.547 0.000) 6.894 22.886 ( -1.978 -6.814 0.000) 7.095 22.995 ( -1.841 -8.583 0.000) 8.778 24.404 ( 1.565 -2.393 0.000) 2.859 24.430 ( 0.036 -3.280 0.000) 3.280 25.663 ( 9.121 0.111 0.000) 9.121 25.922 ( 4.462 -13.290 0.000) 14.019 26.994 ( -1.543 2.530 0.000) 2.964 27.024 ( -1.151 3.658 0.000) 3.835 27.404 ( 5.556 3.223 0.000) 6.423 27.454 ( 0.088 2.242 0.000) 2.243 27.459 ( -0.145 2.405 0.000) 2.409 27.568 ( 0.311 -2.448 0.000) 2.468 27.576 ( -0.798 -1.084 0.000) 1.346 27.579 ( -0.153 -2.492 0.000) 2.496 27.822 ( 8.428 0.734 0.000) 8.460 28.359 ( -8.223 -18.935 0.000) 20.643 29.845 ( 0.115 10.527 0.000) 10.528 30.182 ( -14.218 -2.065 0.000) 14.367 32.304 ( 4.080 12.478 0.000) 13.128 32.579 ( -6.291 -0.020 0.000) 6.291 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( -25.428 18.908 0.000) 31.687 3.493 ( 25.428 18.908 0.000) 31.687 3.897 ( -31.941 22.840 0.000) 39.267 3.897 ( 31.941 22.840 0.000) 39.267 4.154 ( -15.711 26.494 0.000) 30.802 4.154 ( 15.711 26.494 0.000) 30.802 5.387 ( -9.568 -32.676 0.000) 34.048 5.387 ( 9.568 -32.676 0.000) 34.048 5.504 ( -2.905 -16.749 0.000) 16.999 5.504 ( 2.905 -16.749 0.000) 16.999 6.025 ( -5.264 -6.558 0.000) 8.410 6.025 ( 5.264 -6.558 0.000) 8.410 6.330 ( -39.548 28.983 0.000) 49.031 6.330 ( 39.548 28.983 0.000) 49.031 6.433 ( -8.643 -20.456 0.000) 22.207 6.433 ( 8.643 -20.456 0.000) 22.207 7.289 ( -13.177 -2.427 0.000) 13.399 7.289 ( 13.177 -2.427 0.000) 13.399 7.890 ( -6.522 1.727 0.000) 6.747 7.890 ( 6.522 1.727 0.000) 6.747 8.438 ( -6.838 -5.052 0.000) 8.502 8.438 ( 6.838 -5.052 0.000) 8.502 8.909 ( -11.425 -12.227 0.000) 16.734 8.909 ( 11.425 -12.227 0.000) 16.734 9.352 ( -8.554 -8.177 0.000) 11.833 9.352 ( 8.554 -8.177 0.000) 11.833 9.481 ( -8.334 17.543 0.000) 19.422 9.481 ( 8.334 17.543 0.000) 19.422 9.934 ( -13.600 -7.527 0.000) 15.544 9.934 ( 13.600 -7.527 0.000) 15.544 10.465 ( -12.284 -5.958 0.000) 13.653 10.465 ( 12.284 -5.958 0.000) 13.653 11.028 ( -14.754 5.333 0.000) 15.689 11.028 ( 14.754 5.333 0.000) 15.689 11.195 ( -10.493 -2.340 0.000) 10.751 11.195 ( 10.493 -2.340 0.000) 10.751 11.207 ( -4.182 0.107 0.000) 4.183 11.207 ( 4.182 0.107 0.000) 4.183 11.567 ( -16.345 -0.669 0.000) 16.359 11.567 ( 16.345 -0.669 0.000) 16.359 12.153 ( -1.439 -6.008 0.000) 6.178 12.153 ( 1.439 -6.008 0.000) 6.178 12.444 ( -4.429 2.043 0.000) 4.877 12.444 ( 4.429 2.043 0.000) 4.877 12.854 ( -11.362 2.569 0.000) 11.649 12.854 ( 11.362 2.569 0.000) 11.649 13.359 ( -9.778 -7.161 0.000) 12.120 13.359 ( 9.778 -7.161 0.000) 12.120 14.155 ( -0.851 0.390 0.000) 0.936 14.155 ( 0.851 0.390 0.000) 0.936 15.309 ( -2.282 13.183 0.000) 13.379 15.309 ( 2.282 13.183 0.000) 13.379 16.027 ( -4.997 -16.340 0.000) 17.087 16.027 ( 4.997 -16.340 0.000) 17.087 16.776 ( -3.761 -0.148 0.000) 3.764 16.776 ( 3.761 -0.148 0.000) 3.764 17.104 ( -6.162 21.446 0.000) 22.314 17.104 ( 6.162 21.446 0.000) 22.314 17.295 ( -3.316 3.303 0.000) 4.680 17.295 ( 3.316 3.303 0.000) 4.680 17.544 ( -15.186 -4.838 0.000) 15.938 17.544 ( 15.186 -4.838 0.000) 15.938 18.081 ( -4.486 -5.124 0.000) 6.810 18.081 ( 4.486 -5.124 0.000) 6.810 18.374 ( -6.739 -7.842 0.000) 10.340 18.374 ( 6.739 -7.842 0.000) 10.340 19.021 ( -11.268 7.560 0.000) 13.569 19.021 ( 11.268 7.560 0.000) 13.569 19.139 ( -5.612 5.532 0.000) 7.880 19.139 ( 5.612 5.532 0.000) 7.880 19.770 ( -5.796 -2.810 0.000) 6.441 19.770 ( 5.796 -2.810 0.000) 6.441 20.273 ( -1.871 6.629 0.000) 6.888 20.273 ( 1.871 6.629 0.000) 6.888 21.945 ( -8.497 12.157 0.000) 14.832 21.945 ( 8.497 12.157 0.000) 14.832 22.919 ( -4.001 -10.610 0.000) 11.340 22.919 ( 4.001 -10.610 0.000) 11.340 24.424 ( -0.472 -2.679 0.000) 2.721 24.424 ( 0.472 -2.679 0.000) 2.721 25.863 ( -8.077 -2.144 0.000) 8.357 25.863 ( 8.077 -2.144 0.000) 8.357 26.992 ( -1.393 1.065 0.000) 1.754 26.992 ( 1.393 1.065 0.000) 1.754 27.456 ( -0.138 2.315 0.000) 2.319 27.456 ( 0.138 2.315 0.000) 2.319 27.506 ( -4.043 3.819 0.000) 5.562 27.506 ( 4.043 3.819 0.000) 5.562 27.574 ( -0.266 -2.461 0.000) 2.476 27.574 ( 0.266 -2.461 0.000) 2.476 28.107 ( -14.417 -15.024 0.000) 20.822 28.107 ( 14.417 -15.024 0.000) 20.822 29.936 ( -8.306 5.859 0.000) 10.165 29.936 ( 8.306 5.859 0.000) 10.165 32.431 ( -7.044 5.627 0.000) 9.016 32.431 ( 7.044 5.627 0.000) 9.016 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 0.000 -46.958 0.000) 46.958 3.246 ( 0.000 46.958 0.000) 46.958 3.641 ( 0.000 -50.500 0.000) 50.500 3.641 ( 0.000 50.500 0.000) 50.500 4.614 ( 0.000 -43.169 0.000) 43.169 4.614 ( 0.000 43.169 0.000) 43.169 5.294 ( 0.000 -65.845 0.000) 65.845 5.294 ( 0.000 65.845 0.000) 65.845 5.651 ( 0.000 -11.718 0.000) 11.718 5.651 ( 0.000 11.718 0.000) 11.718 5.919 ( 0.000 -3.683 0.000) 3.683 5.919 ( 0.000 3.683 0.000) 3.683 6.032 ( 0.000 -8.863 0.000) 8.863 6.032 ( 0.000 8.863 0.000) 8.863 6.297 ( 0.000 -23.764 0.000) 23.764 6.297 ( 0.000 23.764 0.000) 23.764 6.980 ( 0.000 -3.080 0.000) 3.080 6.980 ( 0.000 3.080 0.000) 3.080 7.788 ( 0.000 -14.663 0.000) 14.663 7.788 ( 0.000 14.663 0.000) 14.663 8.445 ( 0.000 -3.471 0.000) 3.471 8.445 ( 0.000 3.471 0.000) 3.471 8.925 ( 0.000 -1.062 0.000) 1.062 8.925 ( 0.000 1.062 0.000) 1.062 9.341 ( 0.000 -4.970 0.000) 4.970 9.341 ( 0.000 4.970 0.000) 4.970 9.783 ( 0.000 -7.154 0.000) 7.154 9.783 ( 0.000 7.154 0.000) 7.154 10.054 ( 0.000 -6.997 0.000) 6.997 10.054 ( 0.000 6.997 0.000) 6.997 10.483 ( 0.000 -6.325 0.000) 6.325 10.483 ( 0.000 6.325 0.000) 6.325 11.018 ( 0.000 -4.910 0.000) 4.910 11.018 ( 0.000 4.910 0.000) 4.910 11.212 ( 0.000 -9.000 0.000) 9.000 11.212 ( 0.000 9.000 0.000) 9.000 11.278 ( 0.000 -1.271 0.000) 1.271 11.278 ( 0.000 1.271 0.000) 1.271 11.668 ( 0.000 -7.217 0.000) 7.217 11.668 ( 0.000 7.217 0.000) 7.217 11.843 ( 0.000 -0.095 0.000) 0.095 11.843 ( 0.000 0.095 0.000) 0.095 12.752 ( 0.000 -8.297 0.000) 8.297 12.752 ( 0.000 8.297 0.000) 8.297 13.055 ( 0.000 -4.987 0.000) 4.987 13.055 ( 0.000 4.987 0.000) 4.987 13.901 ( 0.000 -11.453 0.000) 11.453 13.901 ( 0.000 11.453 0.000) 11.453 14.108 ( 0.000 -1.788 0.000) 1.788 14.108 ( 0.000 1.788 0.000) 1.788 14.972 ( 0.000 -0.490 0.000) 0.490 14.972 ( 0.000 0.490 0.000) 0.490 15.502 ( 0.000 -11.017 0.000) 11.017 15.502 ( 0.000 11.017 0.000) 11.017 16.793 ( 0.000 -8.486 0.000) 8.486 16.793 ( 0.000 8.486 0.000) 8.486 16.830 ( 0.000 -4.937 0.000) 4.937 16.830 ( 0.000 4.937 0.000) 4.937 17.247 ( 0.000 -2.251 0.000) 2.251 17.247 ( 0.000 2.251 0.000) 2.251 17.449 ( 0.000 -11.898 0.000) 11.898 17.449 ( 0.000 11.898 0.000) 11.898 18.217 ( 0.000 -3.552 0.000) 3.552 18.217 ( 0.000 3.552 0.000) 3.552 18.765 ( 0.000 -1.141 0.000) 1.141 18.765 ( 0.000 1.141 0.000) 1.141 18.846 ( 0.000 -14.060 0.000) 14.060 18.846 ( 0.000 14.060 0.000) 14.060 18.853 ( 0.000 -5.646 0.000) 5.646 18.853 ( 0.000 5.646 0.000) 5.646 19.913 ( 0.000 -7.290 0.000) 7.290 19.913 ( 0.000 7.290 0.000) 7.290 20.689 ( 0.000 -2.042 0.000) 2.042 20.689 ( 0.000 2.042 0.000) 2.042 21.950 ( 0.000 -13.096 0.000) 13.096 21.950 ( 0.000 13.096 0.000) 13.096 22.977 ( 0.000 -5.043 0.000) 5.043 22.977 ( 0.000 5.043 0.000) 5.043 24.279 ( 0.000 -0.516 0.000) 0.516 24.279 ( 0.000 0.516 0.000) 0.516 25.474 ( 0.000 -4.310 0.000) 4.310 25.474 ( 0.000 4.310 0.000) 4.310 27.126 ( 0.000 -7.482 0.000) 7.482 27.126 ( 0.000 7.482 0.000) 7.482 27.291 ( 0.000 -3.911 0.000) 3.911 27.291 ( 0.000 3.911 0.000) 3.911 27.504 ( 0.000 -2.655 0.000) 2.655 27.504 ( 0.000 2.655 0.000) 2.655 27.522 ( 0.000 -2.943 0.000) 2.943 27.522 ( 0.000 2.943 0.000) 2.943 28.210 ( 0.000 -11.495 0.000) 11.495 28.210 ( 0.000 11.495 0.000) 11.495 30.243 ( 0.000 -17.544 0.000) 17.544 30.243 ( 0.000 17.544 0.000) 17.544 32.574 ( 0.000 -6.480 0.000) 6.480 32.574 ( 0.000 6.480 0.000) 6.480 ======================= Grid point 23 (14/80) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( 7.591 -41.821 0.000) 42.505 3.331 ( 7.591 41.821 0.000) 42.505 3.759 ( 10.974 -47.977 0.000) 49.216 3.759 ( 10.974 47.977 0.000) 49.216 4.651 ( 3.244 -42.089 0.000) 42.214 4.651 ( 3.244 42.089 0.000) 42.214 5.279 ( -4.896 -37.958 0.000) 38.273 5.279 ( -4.896 37.958 0.000) 38.273 5.514 ( -12.201 -14.402 0.000) 18.875 5.514 ( -12.201 14.402 0.000) 18.875 5.992 ( 10.600 -24.904 0.000) 27.066 5.992 ( 10.600 24.904 0.000) 27.066 6.004 ( -2.202 -9.141 0.000) 9.403 6.004 ( -2.202 9.141 0.000) 9.403 6.281 ( -1.234 -17.472 0.000) 17.516 6.281 ( -1.234 17.472 0.000) 17.516 7.116 ( 10.233 -8.465 0.000) 13.281 7.116 ( 10.233 8.465 0.000) 13.281 7.824 ( 2.877 -12.315 0.000) 12.646 7.824 ( 2.877 12.315 0.000) 12.646 8.506 ( 5.432 -2.594 0.000) 6.020 8.506 ( 5.432 2.594 0.000) 6.020 8.778 ( -11.593 -9.743 0.000) 15.144 8.778 ( -11.593 9.743 0.000) 15.144 9.420 ( 6.935 -7.282 0.000) 10.056 9.420 ( 6.935 7.282 0.000) 10.056 9.636 ( -13.389 -13.475 0.000) 18.996 9.636 ( -13.389 13.475 0.000) 18.996 10.134 ( 4.412 -6.283 0.000) 7.678 10.134 ( 4.412 6.283 0.000) 7.678 10.471 ( -1.417 -10.413 0.000) 10.508 10.471 ( -1.417 10.413 0.000) 10.508 10.982 ( -4.243 -13.220 0.000) 13.884 10.982 ( -4.243 13.220 0.000) 13.884 11.157 ( -5.285 -14.789 0.000) 15.705 11.157 ( -5.285 14.789 0.000) 15.705 11.216 ( 0.360 -6.907 0.000) 6.917 11.216 ( 0.360 6.907 0.000) 6.917 11.720 ( 5.162 -5.603 0.000) 7.619 11.720 ( 5.162 5.603 0.000) 7.619 11.834 ( -2.356 -5.606 0.000) 6.081 11.834 ( -2.356 5.606 0.000) 6.081 12.826 ( 4.590 -13.900 0.000) 14.638 12.826 ( 4.590 13.900 0.000) 14.638 12.949 ( -9.489 -4.404 0.000) 10.461 12.949 ( -9.489 4.404 0.000) 10.461 13.600 ( -18.115 -24.195 0.000) 30.225 13.600 ( -18.115 24.195 0.000) 30.225 14.123 ( 1.205 -1.562 0.000) 1.973 14.123 ( 1.205 1.562 0.000) 1.973 15.242 ( 16.404 -3.404 0.000) 16.754 15.242 ( 16.404 3.404 0.000) 16.754 15.554 ( 4.453 -12.885 0.000) 13.632 15.554 ( 4.453 12.885 0.000) 13.632 16.788 ( -0.426 -7.070 0.000) 7.083 16.788 ( -0.426 7.070 0.000) 7.083 16.957 ( 10.576 -4.500 0.000) 11.493 16.957 ( 10.576 4.500 0.000) 11.493 17.268 ( 1.805 -3.680 0.000) 4.098 17.268 ( 1.805 3.680 0.000) 4.098 17.476 ( 2.491 -13.183 0.000) 13.416 17.476 ( 2.491 13.183 0.000) 13.416 18.160 ( -4.502 -5.483 0.000) 7.094 18.160 ( -4.502 5.483 0.000) 7.094 18.642 ( -10.649 -4.322 0.000) 11.493 18.642 ( -10.649 4.322 0.000) 11.493 18.891 ( 4.263 -15.558 0.000) 16.131 18.891 ( 4.263 15.558 0.000) 16.131 18.941 ( 7.226 -6.285 0.000) 9.576 18.941 ( 7.226 6.285 0.000) 9.576 19.878 ( -3.131 -7.003 0.000) 7.671 19.878 ( -3.131 7.003 0.000) 7.671 20.591 ( -7.662 -2.809 0.000) 8.161 20.591 ( -7.662 2.809 0.000) 8.161 21.990 ( 3.203 -12.614 0.000) 13.015 21.990 ( 3.203 12.614 0.000) 13.015 22.946 ( -3.235 -0.636 0.000) 3.297 22.946 ( -3.235 0.636 0.000) 3.297 24.331 ( 3.624 -1.032 0.000) 3.768 24.331 ( 3.624 1.032 0.000) 3.768 25.532 ( 5.954 -4.221 0.000) 7.298 25.532 ( 5.954 4.221 0.000) 7.298 27.113 ( -1.730 -2.924 0.000) 3.398 27.113 ( -1.730 2.924 0.000) 3.398 27.354 ( 5.621 -3.500 0.000) 6.622 27.354 ( 5.621 3.500 0.000) 6.622 27.503 ( -0.094 -1.980 0.000) 1.982 27.503 ( -0.094 1.980 0.000) 1.982 27.524 ( 0.146 -2.225 0.000) 2.230 27.524 ( 0.146 2.225 0.000) 2.230 28.142 ( -5.750 -14.426 0.000) 15.529 28.142 ( -5.750 14.426 0.000) 15.529 30.177 ( -5.502 -15.097 0.000) 16.069 30.177 ( -5.502 15.097 0.000) 16.069 32.550 ( -1.954 -8.668 0.000) 8.886 32.550 ( -1.954 8.668 0.000) 8.886 ======================= Grid point 25 (15/80) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( 9.866 -27.016 0.000) 28.761 3.534 ( 9.866 27.016 0.000) 28.761 4.090 ( 18.977 -41.177 0.000) 45.340 4.090 ( 18.977 41.177 0.000) 45.340 4.742 ( 5.192 -39.796 0.000) 40.134 4.742 ( 5.192 39.796 0.000) 40.134 5.032 ( -16.608 -20.670 0.000) 26.516 5.032 ( -16.608 20.670 0.000) 26.516 5.191 ( -16.061 -21.089 0.000) 26.509 5.191 ( -16.061 21.089 0.000) 26.509 5.954 ( -2.136 -6.624 0.000) 6.960 5.954 ( -2.136 6.624 0.000) 6.960 6.256 ( -0.935 -7.418 0.000) 7.477 6.256 ( -0.935 7.418 0.000) 7.477 6.406 ( 25.325 -39.530 0.000) 46.946 6.406 ( 25.325 39.530 0.000) 46.946 7.270 ( 0.405 -7.437 0.000) 7.448 7.270 ( 0.405 7.437 0.000) 7.448 7.884 ( 2.262 -6.718 0.000) 7.089 7.884 ( 2.262 6.718 0.000) 7.089 8.486 ( -10.642 -11.403 0.000) 15.597 8.486 ( -10.642 11.403 0.000) 15.597 8.677 ( 5.624 -9.336 0.000) 10.898 8.677 ( 5.624 9.336 0.000) 10.898 9.338 ( -9.759 -10.458 0.000) 14.304 9.338 ( -9.759 10.458 0.000) 14.304 9.599 ( 8.488 -8.592 0.000) 12.077 9.599 ( 8.488 8.592 0.000) 12.077 10.060 ( -11.951 -8.251 0.000) 14.522 10.060 ( -11.951 8.251 0.000) 14.522 10.412 ( -3.810 -12.032 0.000) 12.621 10.412 ( -3.810 12.032 0.000) 12.621 10.969 ( 4.697 -7.951 0.000) 9.235 10.969 ( 4.697 7.951 0.000) 9.235 11.144 ( 4.077 -3.954 0.000) 5.679 11.144 ( 4.077 3.954 0.000) 5.679 11.223 ( 0.239 -4.138 0.000) 4.145 11.223 ( 0.239 4.138 0.000) 4.145 11.696 ( -11.128 -12.952 0.000) 17.076 11.696 ( -11.128 12.952 0.000) 17.076 11.895 ( 10.795 -2.573 0.000) 11.097 11.895 ( 10.795 2.573 0.000) 11.097 12.685 ( -14.032 -2.818 0.000) 14.312 12.685 ( -14.032 2.818 0.000) 14.312 12.883 ( 1.611 -11.635 0.000) 11.746 12.883 ( 1.611 11.635 0.000) 11.746 13.347 ( -5.919 -12.430 0.000) 13.767 13.347 ( -5.919 12.430 0.000) 13.767 14.148 ( 0.971 -0.905 0.000) 1.327 14.148 ( 0.971 0.905 0.000) 1.327 15.503 ( 7.863 -4.736 0.000) 9.179 15.503 ( 7.863 4.736 0.000) 9.179 15.658 ( 4.258 -10.612 0.000) 11.434 15.658 ( 4.258 10.612 0.000) 11.434 16.778 ( -0.377 -3.799 0.000) 3.818 16.778 ( -0.377 3.799 0.000) 3.818 17.193 ( 9.448 -1.405 0.000) 9.552 17.193 ( 9.448 1.405 0.000) 9.552 17.312 ( 1.961 -3.538 0.000) 4.045 17.312 ( 1.961 3.538 0.000) 4.045 17.543 ( 3.273 -11.411 0.000) 11.871 17.543 ( 3.273 11.411 0.000) 11.871 18.064 ( -3.769 -4.577 0.000) 5.929 18.064 ( -3.769 4.577 0.000) 5.929 18.376 ( -12.060 -6.123 0.000) 13.526 18.376 ( -12.060 6.123 0.000) 13.526 19.017 ( 6.612 -11.320 0.000) 13.110 19.017 ( 6.612 11.320 0.000) 13.110 19.111 ( 7.503 -5.228 0.000) 9.145 19.111 ( 7.503 5.228 0.000) 9.145 19.792 ( -4.357 -5.419 0.000) 6.953 19.792 ( -4.357 5.419 0.000) 6.953 20.427 ( -6.590 -2.073 0.000) 6.908 20.427 ( -6.590 2.073 0.000) 6.908 22.068 ( 3.629 -9.130 0.000) 9.825 22.068 ( 3.629 9.130 0.000) 9.825 22.843 ( -5.556 -4.069 0.000) 6.886 22.843 ( -5.556 4.069 0.000) 6.886 24.385 ( 1.142 -0.688 0.000) 1.333 24.385 ( 1.142 0.688 0.000) 1.333 25.716 ( 9.560 -5.737 0.000) 11.150 25.716 ( 9.560 5.737 0.000) 11.150 27.050 ( -3.686 -1.577 0.000) 4.009 27.050 ( -3.686 1.577 0.000) 4.009 27.489 ( 5.739 -4.882 0.000) 7.535 27.489 ( 5.739 4.882 0.000) 7.535 27.501 ( -0.071 -0.937 0.000) 0.940 27.501 ( -0.071 0.937 0.000) 0.940 27.527 ( 0.122 -1.074 0.000) 1.081 27.527 ( 0.122 1.074 0.000) 1.081 28.009 ( -5.517 -13.838 0.000) 14.898 28.009 ( -5.517 13.838 0.000) 14.898 30.053 ( -5.067 -8.831 0.000) 10.181 30.053 ( -5.067 8.831 0.000) 10.181 32.510 ( -1.474 -6.669 0.000) 6.830 32.510 ( -1.474 6.669 0.000) 6.830 ======================= Grid point 27 (16/80) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( 0.000 -0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 4.430 ( 0.000 -0.000 0.000) 0.000 4.430 ( 0.000 0.000 0.000) 0.000 4.719 ( -0.000 -0.000 0.000) 0.000 4.719 ( -0.000 0.000 0.000) 0.000 4.861 ( 0.000 -0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.934 ( -0.000 -0.000 0.000) 0.000 4.934 ( -0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 -0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.850 ( -0.000 0.000 0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 7.124 ( -0.000 -0.000 0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 -0.000 0.000) 0.000 8.361 ( 0.000 -0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 9.287 ( -0.000 -0.000 0.000) 0.000 9.287 ( 0.000 0.000 0.000) 0.000 9.708 ( 0.000 -0.000 0.000) 0.000 9.708 ( 0.000 0.000 0.000) 0.000 9.852 ( 0.000 0.000 0.000) 0.000 9.852 ( 0.000 0.000 0.000) 0.000 10.356 ( 0.000 -0.000 0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 11.025 ( 0.000 0.000 0.000) 0.000 11.025 ( -0.000 0.000 0.000) 0.000 11.226 ( 0.000 0.000 0.000) 0.000 11.226 ( 0.000 0.000 0.000) 0.000 11.358 ( 0.000 -0.000 0.000) 0.000 11.358 ( 0.000 0.000 0.000) 0.000 11.413 ( -0.000 -0.000 0.000) 0.000 11.413 ( 0.000 0.000 0.000) 0.000 12.077 ( 0.000 0.000 0.000) 0.000 12.077 ( 0.000 0.000 0.000) 0.000 12.468 ( -0.000 0.000 0.000) 0.000 12.468 ( -0.000 0.000 0.000) 0.000 12.913 ( -0.000 0.000 0.000) 0.000 12.913 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 14.159 ( 0.000 0.000 0.000) 0.000 14.159 ( 0.000 0.000 0.000) 0.000 15.588 ( 0.000 -0.000 0.000) 0.000 15.588 ( 0.000 0.000 0.000) 0.000 15.705 ( 0.000 -0.000 0.000) 0.000 15.705 ( 0.000 0.000 0.000) 0.000 16.774 ( 0.000 -0.000 0.000) 0.000 16.774 ( 0.000 0.000 0.000) 0.000 17.302 ( -0.000 0.000 0.000) 0.000 17.302 ( 0.000 0.000 0.000) 0.000 17.336 ( 0.000 0.000 0.000) 0.000 17.336 ( 0.000 0.000 0.000) 0.000 17.586 ( 0.000 -0.000 0.000) 0.000 17.586 ( 0.000 0.000 0.000) 0.000 18.020 ( 0.000 0.000 0.000) 0.000 18.020 ( 0.000 0.000 0.000) 0.000 18.226 ( 0.000 -0.000 0.000) 0.000 18.226 ( -0.000 0.000 0.000) 0.000 19.104 ( 0.000 0.000 0.000) 0.000 19.104 ( 0.000 0.000 0.000) 0.000 19.205 ( 0.000 -0.000 0.000) 0.000 19.205 ( 0.000 0.000 0.000) 0.000 19.734 ( 0.000 0.000 0.000) 0.000 19.734 ( 0.000 0.000 0.000) 0.000 20.348 ( 0.000 0.000 0.000) 0.000 20.348 ( 0.000 0.000 0.000) 0.000 22.116 ( 0.000 0.000 0.000) 0.000 22.116 ( 0.000 0.000 0.000) 0.000 22.769 ( 0.000 -0.000 0.000) 0.000 22.769 ( 0.000 0.000 0.000) 0.000 24.393 ( 0.000 0.000 0.000) 0.000 24.393 ( 0.000 0.000 0.000) 0.000 25.839 ( 0.000 0.000 0.000) 0.000 25.839 ( 0.000 0.000 0.000) 0.000 26.999 ( 0.000 0.000 0.000) 0.000 26.999 ( 0.000 0.000 0.000) 0.000 27.500 ( 0.000 0.000 0.000) 0.000 27.500 ( 0.000 0.000 0.000) 0.000 27.529 ( 0.000 -0.000 0.000) 0.000 27.529 ( 0.000 0.000 0.000) 0.000 27.556 ( 0.000 0.000 0.000) 0.000 27.556 ( 0.000 0.000 0.000) 0.000 27.945 ( 0.000 -0.000 0.000) 0.000 27.945 ( 0.000 0.000 0.000) 0.000 29.994 ( -0.000 0.000 0.000) 0.000 29.994 ( 0.000 0.000 0.000) 0.000 32.493 ( 0.000 0.000 0.000) 0.000 32.493 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 49 (17/80) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 0.000 47.852) 47.852 1.030 ( 0.000 0.000 51.883) 51.883 2.026 ( 0.000 0.000 97.791) 97.791 2.658 ( 0.000 0.000 10.489) 10.489 4.540 ( 0.000 0.000 17.440) 17.440 5.475 ( 0.000 0.000 7.096) 7.096 5.546 ( 0.000 0.000 -8.695) 8.695 5.662 ( 0.000 0.000 -2.401) 2.401 5.847 ( 0.000 0.000 -0.113) 0.113 6.098 ( 0.000 0.000 4.351) 4.351 6.315 ( 0.000 0.000 20.026) 20.026 6.483 ( 0.000 0.000 30.568) 30.568 6.692 ( 0.000 0.000 -7.542) 7.542 6.731 ( 0.000 0.000 25.653) 25.653 6.747 ( 0.000 0.000 2.730) 2.730 7.195 ( 0.000 0.000 3.426) 3.426 7.395 ( 0.000 0.000 15.717) 15.717 7.681 ( 0.000 0.000 -8.656) 8.656 8.236 ( 0.000 0.000 -8.439) 8.439 8.328 ( 0.000 0.000 6.089) 6.089 8.422 ( 0.000 0.000 -5.799) 5.799 8.451 ( 0.000 0.000 11.370) 11.370 8.638 ( 0.000 0.000 -23.260) 23.260 8.668 ( 0.000 0.000 10.248) 10.248 8.773 ( 0.000 0.000 -3.314) 3.314 9.136 ( 0.000 0.000 1.769) 1.769 9.387 ( 0.000 0.000 8.034) 8.034 9.887 ( 0.000 0.000 1.903) 1.903 10.142 ( 0.000 0.000 1.236) 1.236 10.206 ( 0.000 0.000 9.616) 9.616 10.300 ( 0.000 0.000 -5.490) 5.490 10.310 ( 0.000 0.000 -6.225) 6.225 10.735 ( 0.000 0.000 -1.501) 1.501 10.856 ( 0.000 0.000 10.230) 10.230 11.003 ( 0.000 0.000 3.770) 3.770 11.029 ( 0.000 0.000 -9.574) 9.574 11.309 ( 0.000 0.000 5.298) 5.298 11.371 ( 0.000 0.000 11.562) 11.562 11.421 ( 0.000 0.000 -7.366) 7.366 11.678 ( 0.000 0.000 -19.820) 19.820 11.914 ( 0.000 0.000 -0.222) 0.222 11.939 ( 0.000 0.000 -9.785) 9.785 12.500 ( 0.000 0.000 7.182) 7.182 12.658 ( 0.000 0.000 31.848) 31.848 12.850 ( 0.000 0.000 -8.352) 8.352 13.184 ( 0.000 0.000 -0.255) 0.255 13.249 ( 0.000 0.000 -10.032) 10.032 13.819 ( 0.000 0.000 -1.005) 1.005 14.250 ( 0.000 0.000 19.178) 19.178 14.407 ( 0.000 0.000 18.151) 18.151 14.885 ( 0.000 0.000 -4.411) 4.411 15.140 ( 0.000 0.000 0.544) 0.544 15.474 ( 0.000 0.000 -21.501) 21.501 15.881 ( 0.000 0.000 8.857) 8.857 16.085 ( 0.000 0.000 -2.947) 2.947 16.260 ( 0.000 0.000 -5.401) 5.401 16.416 ( 0.000 0.000 5.466) 5.466 16.624 ( 0.000 0.000 -1.112) 1.112 17.263 ( 0.000 0.000 -0.793) 0.793 17.481 ( 0.000 0.000 -5.782) 5.782 17.946 ( 0.000 0.000 3.383) 3.383 18.012 ( 0.000 0.000 11.050) 11.050 18.162 ( 0.000 0.000 -32.932) 32.932 18.171 ( 0.000 0.000 -4.356) 4.356 18.487 ( 0.000 0.000 -8.438) 8.438 18.490 ( 0.000 0.000 -39.878) 39.878 18.704 ( 0.000 0.000 -3.593) 3.593 19.079 ( 0.000 0.000 -14.152) 14.152 19.124 ( 0.000 0.000 0.556) 0.556 19.494 ( 0.000 0.000 2.531) 2.531 19.511 ( 0.000 0.000 1.702) 1.702 20.459 ( 0.000 0.000 19.772) 19.772 20.595 ( 0.000 0.000 1.326) 1.326 20.961 ( 0.000 0.000 15.894) 15.894 21.206 ( 0.000 0.000 17.487) 17.487 21.247 ( 0.000 0.000 -6.045) 6.045 22.591 ( 0.000 0.000 -9.888) 9.888 23.071 ( 0.000 0.000 -12.865) 12.865 24.508 ( 0.000 0.000 0.355) 0.355 24.572 ( 0.000 0.000 -0.014) 0.014 25.185 ( 0.000 0.000 -0.189) 0.189 25.443 ( 0.000 0.000 -1.993) 1.993 26.781 ( 0.000 0.000 2.456) 2.456 26.988 ( 0.000 0.000 -2.686) 2.686 27.087 ( 0.000 0.000 -0.793) 0.793 27.298 ( 0.000 0.000 -12.248) 12.248 27.535 ( 0.000 0.000 10.561) 10.561 27.695 ( 0.000 0.000 4.872) 4.872 27.739 ( 0.000 0.000 0.827) 0.827 27.867 ( 0.000 0.000 13.467) 13.467 28.475 ( 0.000 0.000 2.993) 2.993 28.665 ( 0.000 0.000 2.299) 2.299 29.771 ( 0.000 0.000 0.115) 0.115 31.109 ( 0.000 0.000 -6.899) 6.899 31.554 ( 0.000 0.000 5.500) 5.500 32.673 ( 0.000 0.000 -4.761) 4.761 ======================= Grid point 50 (18/80) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 37.527 0.000 31.807) 49.193 1.598 ( 43.370 0.000 31.482) 53.592 2.617 ( 48.929 0.000 70.150) 85.528 2.688 ( 2.904 0.000 11.773) 12.126 4.347 ( -14.212 0.000 20.998) 25.356 5.310 ( -23.327 0.000 4.992) 23.855 5.532 ( 0.334 0.000 -0.403) 0.523 5.611 ( -13.936 0.000 -0.892) 13.964 5.809 ( 0.155 0.000 -2.948) 2.952 5.998 ( 1.961 0.000 12.345) 12.500 6.222 ( -6.989 0.000 21.542) 22.648 6.439 ( 0.367 0.000 22.537) 22.540 6.705 ( -1.845 0.000 -6.539) 6.794 6.796 ( 5.498 0.000 2.367) 5.986 7.024 ( 17.182 0.000 17.634) 24.620 7.114 ( -7.236 0.000 4.135) 8.334 7.335 ( 1.041 0.000 11.336) 11.383 7.624 ( -10.477 0.000 -13.317) 16.944 8.151 ( -10.335 0.000 0.751) 10.362 8.330 ( 0.919 0.000 -10.085) 10.126 8.384 ( -17.546 0.000 12.697) 21.658 8.471 ( -0.602 0.000 9.406) 9.425 8.709 ( 2.804 0.000 -9.299) 9.713 8.910 ( 6.054 0.000 -11.184) 12.718 9.027 ( 27.397 0.000 1.557) 27.442 9.267 ( 10.556 0.000 1.332) 10.640 9.348 ( -3.094 0.000 2.383) 3.905 9.882 ( 1.791 0.000 1.577) 2.386 10.044 ( -8.093 0.000 3.209) 8.706 10.127 ( -0.991 0.000 -6.153) 6.232 10.434 ( 10.676 0.000 -6.061) 12.276 10.460 ( 7.903 0.000 -3.044) 8.470 10.612 ( -11.499 0.000 -8.539) 14.322 10.860 ( -7.854 0.000 -2.077) 8.124 10.871 ( 1.233 0.000 0.560) 1.354 11.020 ( -0.945 0.000 3.976) 4.086 11.341 ( 2.946 0.000 2.897) 4.132 11.394 ( -2.974 0.000 -6.216) 6.891 11.644 ( 16.626 0.000 13.730) 21.563 11.651 ( -0.759 0.000 -16.259) 16.277 12.007 ( 2.837 0.000 7.549) 8.064 12.049 ( 8.841 0.000 -9.546) 13.011 12.604 ( -4.372 0.000 28.299) 28.635 12.619 ( -1.263 0.000 -12.008) 12.075 12.896 ( -1.226 0.000 -4.349) 4.519 13.192 ( -5.964 0.000 -2.359) 6.414 13.692 ( 25.773 0.000 -42.206) 49.453 13.900 ( 5.936 0.000 -2.015) 6.268 14.269 ( 1.520 0.000 16.467) 16.537 14.385 ( -1.849 0.000 16.245) 16.350 14.834 ( -2.639 0.000 -4.728) 5.414 15.061 ( 3.889 0.000 -13.972) 14.503 15.566 ( 8.057 0.000 -18.218) 19.920 15.620 ( -10.649 0.000 9.692) 14.399 16.092 ( -8.624 0.000 -10.715) 13.755 16.622 ( 7.919 0.000 2.663) 8.354 16.622 ( 11.563 0.000 7.246) 13.646 16.695 ( 27.652 0.000 -6.802) 28.477 17.246 ( -1.121 0.000 -0.205) 1.140 17.345 ( -10.889 0.000 -10.597) 15.194 18.006 ( 4.408 0.000 2.635) 5.135 18.006 ( -7.678 0.000 -23.349) 24.579 18.077 ( 5.923 0.000 10.769) 12.290 18.206 ( -7.534 0.000 3.667) 8.379 18.405 ( -6.176 0.000 -32.867) 33.442 18.531 ( 1.691 0.000 -8.205) 8.378 18.700 ( 0.395 0.000 -2.954) 2.980 18.996 ( -40.281 0.000 48.777) 63.259 19.034 ( -4.278 0.000 -13.261) 13.934 19.190 ( 3.997 0.000 -4.359) 5.914 19.403 ( -8.271 0.000 2.108) 8.536 19.634 ( -8.744 0.000 13.132) 15.777 20.460 ( -0.383 0.000 21.896) 21.899 20.934 ( -11.495 0.000 9.929) 15.190 21.061 ( 9.145 0.000 11.365) 14.587 21.818 ( 8.863 0.000 -10.286) 13.578 22.798 ( 7.967 0.000 -15.512) 17.438 23.087 ( 1.241 0.000 -12.926) 12.986 24.506 ( 0.149 0.000 -0.133) 0.200 24.557 ( -1.252 0.000 -0.135) 1.259 25.499 ( 5.001 0.000 -2.040) 5.401 25.918 ( 29.584 0.000 -38.237) 48.346 26.769 ( -0.087 0.000 1.125) 1.128 26.959 ( -2.316 0.000 -3.766) 4.421 27.161 ( 6.230 0.000 -2.908) 6.875 27.318 ( 1.411 0.000 -9.766) 9.867 27.525 ( -0.994 0.000 9.410) 9.463 27.602 ( -9.607 0.000 0.789) 9.640 27.699 ( 0.060 0.000 5.479) 5.479 27.821 ( -3.422 0.000 11.844) 12.328 28.578 ( 8.821 0.000 3.808) 9.608 28.729 ( 6.605 0.000 7.074) 9.678 29.730 ( -3.745 0.000 0.817) 3.833 30.420 ( -37.526 0.000 27.643) 46.608 31.652 ( 9.364 0.000 3.520) 10.003 32.610 ( -5.780 0.000 -4.316) 7.214 ======================= Grid point 51 (19/80) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 34.333 0.000 22.213) 40.892 2.605 ( 43.559 0.000 13.901) 45.723 2.795 ( 11.034 0.000 15.716) 19.203 3.665 ( 27.984 0.000 19.443) 34.075 4.200 ( 14.138 0.000 44.686) 46.870 4.675 ( -32.614 0.000 17.898) 37.202 4.938 ( -30.848 0.000 -0.409) 30.851 5.654 ( 5.482 0.000 3.736) 6.634 5.830 ( 0.070 0.000 -1.608) 1.610 6.057 ( -9.531 0.000 16.098) 18.708 6.187 ( 9.873 0.000 15.128) 18.065 6.447 ( -0.643 0.000 21.205) 21.215 6.531 ( -11.589 0.000 -0.910) 11.625 6.816 ( -29.191 0.000 -4.314) 29.508 7.104 ( 6.919 0.000 -0.060) 6.919 7.105 ( 5.865 0.000 -3.703) 6.936 7.441 ( 5.552 0.000 4.684) 7.264 7.454 ( 5.507 0.000 13.824) 14.881 7.862 ( -9.362 0.000 7.566) 12.037 8.233 ( -10.387 0.000 14.702) 18.001 8.294 ( 2.530 0.000 8.555) 8.921 8.451 ( -8.128 0.000 -9.538) 12.531 8.625 ( 3.426 0.000 3.040) 4.580 8.998 ( 5.764 0.000 -1.630) 5.990 9.171 ( -13.125 0.000 1.923) 13.266 9.479 ( 6.232 0.000 -1.144) 6.336 9.569 ( 17.087 0.000 4.900) 17.776 9.897 ( -4.762 0.000 0.564) 4.796 10.070 ( 12.913 0.000 -4.883) 13.806 10.075 ( -1.599 0.000 -4.588) 4.859 10.430 ( 0.516 0.000 -19.516) 19.523 10.623 ( 3.360 0.000 -9.604) 10.174 10.630 ( 5.859 0.000 0.369) 5.870 10.806 ( 3.937 0.000 1.014) 4.065 10.824 ( -7.970 0.000 -4.103) 8.964 10.920 ( -4.845 0.000 -15.258) 16.009 11.290 ( -6.922 0.000 -4.315) 8.157 11.334 ( -5.710 0.000 -0.905) 5.782 11.727 ( 8.729 0.000 -2.019) 8.959 11.943 ( 8.296 0.000 23.851) 25.252 12.125 ( 12.185 0.000 7.714) 14.422 12.245 ( 7.666 0.000 -8.631) 11.544 12.496 ( -8.539 0.000 -3.750) 9.326 12.509 ( -3.101 0.000 20.529) 20.762 12.809 ( -6.610 0.000 -5.985) 8.916 12.972 ( -14.506 0.000 10.237) 17.754 13.825 ( -1.288 0.000 -23.063) 23.099 13.968 ( -1.179 0.000 -7.598) 7.689 14.280 ( 0.152 0.000 15.158) 15.159 14.335 ( -2.574 0.000 12.491) 12.753 14.882 ( 8.124 0.000 0.370) 8.132 15.340 ( 2.995 0.000 -19.981) 20.204 15.436 ( 3.532 0.000 -4.944) 6.076 15.784 ( 8.430 0.000 -10.352) 13.350 15.956 ( -0.731 0.000 -23.685) 23.696 16.573 ( -9.166 0.000 -1.144) 9.237 16.837 ( 8.225 0.000 6.396) 10.419 17.064 ( -6.658 0.000 -15.467) 16.839 17.241 ( 1.404 0.000 3.671) 3.930 17.386 ( 16.271 0.000 -6.356) 17.468 17.876 ( -3.890 0.000 22.451) 22.786 17.893 ( -3.538 0.000 -5.558) 6.588 18.029 ( -4.065 0.000 -10.435) 11.199 18.246 ( 8.769 0.000 10.690) 13.827 18.337 ( 1.179 0.000 -11.161) 11.224 18.558 ( -0.178 0.000 4.905) 4.908 18.649 ( -3.824 0.000 2.514) 4.577 18.766 ( 4.106 0.000 2.271) 4.693 18.873 ( -11.773 0.000 -6.898) 13.645 19.079 ( -11.016 0.000 -0.858) 11.050 19.396 ( 6.061 0.000 -11.671) 13.151 19.563 ( -1.611 0.000 -5.913) 6.129 20.444 ( -0.368 0.000 24.779) 24.782 20.673 ( -11.582 0.000 16.339) 20.028 21.323 ( 14.335 0.000 4.200) 14.938 21.840 ( -5.530 0.000 -5.574) 7.852 22.940 ( 6.413 0.000 -12.741) 14.264 23.105 ( -0.178 0.000 -12.989) 12.990 24.511 ( 0.276 0.000 -0.419) 0.502 24.531 ( -0.958 0.000 -0.356) 1.022 25.648 ( 8.763 0.000 -2.575) 9.133 26.093 ( -6.526 0.000 -16.398) 17.649 26.806 ( 2.719 0.000 -5.674) 6.292 26.907 ( -2.380 0.000 -5.019) 5.555 27.285 ( 3.647 0.000 -3.457) 5.025 27.337 ( 0.055 0.000 -5.609) 5.609 27.454 ( -2.654 0.000 0.858) 2.789 27.495 ( -1.672 0.000 6.074) 6.300 27.705 ( 0.450 0.000 6.506) 6.521 27.755 ( -2.387 0.000 9.757) 10.045 28.810 ( 11.906 0.000 4.131) 12.603 28.918 ( 9.265 0.000 4.171) 10.160 29.622 ( -5.807 0.000 3.570) 6.816 29.818 ( -20.337 0.000 20.949) 29.197 31.905 ( 13.260 0.000 0.813) 13.285 32.437 ( -10.171 0.000 -3.103) 10.634 ======================= Grid point 52 (20/80) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -7.597 0.000 14.623) 16.479 2.777 ( 7.597 0.000 14.623) 16.479 3.632 ( -34.112 0.000 8.757) 35.218 3.632 ( 34.112 0.000 8.757) 35.218 4.114 ( -8.308 0.000 23.210) 24.652 4.114 ( 8.308 0.000 23.210) 24.652 5.448 ( -50.853 0.000 24.522) 56.457 5.448 ( 50.853 0.000 24.522) 56.457 5.773 ( -5.061 0.000 3.272) 6.026 5.773 ( 5.061 0.000 3.272) 6.026 6.314 ( -3.530 0.000 -3.339) 4.858 6.314 ( 3.530 0.000 -3.339) 4.858 6.405 ( -2.202 0.000 19.401) 19.525 6.405 ( 2.202 0.000 19.401) 19.525 7.296 ( -5.857 0.000 -3.620) 6.885 7.296 ( 5.857 0.000 -3.620) 6.885 7.437 ( -4.994 0.000 3.885) 6.327 7.437 ( 4.994 0.000 3.885) 6.327 7.960 ( -12.483 0.000 13.672) 18.513 7.960 ( 12.483 0.000 13.672) 18.513 8.303 ( -1.478 0.000 3.785) 4.063 8.303 ( 1.478 0.000 3.785) 4.063 8.848 ( -14.052 0.000 -0.596) 14.065 8.848 ( 14.052 0.000 -0.596) 14.065 9.285 ( -17.611 0.000 4.045) 18.070 9.285 ( 17.611 0.000 4.045) 18.070 9.783 ( -6.686 0.000 1.287) 6.809 9.783 ( 6.686 0.000 1.287) 6.809 10.272 ( -3.808 0.000 -9.648) 10.373 10.272 ( 3.808 0.000 -9.648) 10.373 10.459 ( -6.684 0.000 -7.230) 9.846 10.459 ( 6.684 0.000 -7.230) 9.846 10.702 ( -7.184 0.000 -10.044) 12.349 10.702 ( 7.184 0.000 -10.044) 12.349 10.941 ( -0.615 0.000 -6.168) 6.199 10.941 ( 0.615 0.000 -6.168) 6.199 11.168 ( -2.352 0.000 -6.542) 6.952 11.168 ( 2.352 0.000 -6.542) 6.952 11.949 ( -7.865 0.000 12.755) 14.985 11.949 ( 7.865 0.000 12.755) 14.985 12.317 ( -1.390 0.000 -1.548) 2.081 12.317 ( 1.390 0.000 -1.548) 2.081 12.483 ( -8.097 0.000 15.336) 17.342 12.483 ( 8.097 0.000 15.336) 17.342 12.687 ( -2.313 0.000 2.103) 3.126 12.687 ( 2.313 0.000 2.103) 3.126 13.875 ( -5.395 0.000 -14.996) 15.937 13.875 ( 5.395 0.000 -14.996) 15.937 14.293 ( -1.207 0.000 13.408) 13.462 14.293 ( 1.207 0.000 13.408) 13.462 15.123 ( -12.563 0.000 4.969) 13.510 15.123 ( 12.563 0.000 4.969) 13.510 15.695 ( -10.323 0.000 -23.674) 25.827 15.695 ( 10.323 0.000 -23.674) 25.827 16.241 ( -18.873 0.000 -13.411) 23.153 16.241 ( 18.873 0.000 -13.411) 23.153 16.965 ( -3.935 0.000 -4.090) 5.676 16.965 ( 3.935 0.000 -4.090) 5.676 17.336 ( -7.635 0.000 12.010) 14.231 17.336 ( 7.635 0.000 12.010) 14.231 17.912 ( -4.533 0.000 -17.718) 18.289 17.912 ( 4.533 0.000 -17.718) 18.289 18.209 ( -17.159 0.000 6.345) 18.295 18.209 ( 17.159 0.000 6.345) 18.295 18.452 ( -7.811 0.000 11.734) 14.096 18.452 ( 7.811 0.000 11.734) 14.096 18.645 ( -3.890 0.000 -2.434) 4.589 18.645 ( 3.890 0.000 -2.434) 4.589 18.889 ( -7.168 0.000 -3.386) 7.928 18.889 ( 7.168 0.000 -3.386) 7.928 19.512 ( -3.906 0.000 -14.929) 15.432 19.512 ( 3.906 0.000 -14.929) 15.432 20.486 ( -5.219 0.000 23.586) 24.157 20.486 ( 5.219 0.000 23.586) 24.157 21.628 ( -13.189 0.000 -1.242) 13.247 21.628 ( 13.189 0.000 -1.242) 13.247 23.060 ( -4.136 0.000 -12.775) 13.428 23.060 ( 4.136 0.000 -12.775) 13.428 24.517 ( -0.367 0.000 -0.480) 0.605 24.517 ( 0.367 0.000 -0.480) 0.605 25.869 ( -11.638 0.000 -5.365) 12.815 25.869 ( 11.638 0.000 -5.365) 12.815 26.859 ( -2.234 0.000 -6.166) 6.558 26.859 ( 2.234 0.000 -6.166) 6.558 27.323 ( -1.037 0.000 -2.884) 3.065 27.323 ( 1.037 0.000 -2.884) 3.065 27.459 ( -1.564 0.000 2.379) 2.847 27.459 ( 1.564 0.000 2.379) 2.847 27.720 ( -1.025 0.000 8.079) 8.144 27.720 ( 1.025 0.000 8.079) 8.144 29.010 ( -3.571 0.000 2.122) 4.154 29.010 ( 3.571 0.000 2.122) 4.154 29.554 ( -2.868 0.000 11.423) 11.778 29.554 ( 2.868 0.000 11.423) 11.778 32.188 ( -12.795 0.000 -1.361) 12.867 32.188 ( 12.795 0.000 -1.361) 12.867 ======================= Grid point 56 (21/80) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 47.505 27.734) 55.008 1.658 ( 0.000 43.980 30.922) 53.762 2.649 ( 0.000 53.619 71.172) 89.109 2.993 ( 0.000 29.411 11.273) 31.497 4.734 ( 0.000 17.638 14.094) 22.577 5.207 ( 0.000 -26.115 19.880) 32.820 5.323 ( 0.000 -21.868 -6.896) 22.929 5.585 ( 0.000 -5.122 -6.125) 7.984 5.835 ( 0.000 -0.321 2.272) 2.295 5.979 ( 0.000 -10.464 -4.968) 11.584 6.194 ( 0.000 -13.583 -1.998) 13.729 6.390 ( 0.000 -6.663 24.364) 25.258 6.433 ( 0.000 -5.231 22.096) 22.706 6.574 ( 0.000 -13.892 6.381) 15.288 6.972 ( 0.000 -26.646 16.712) 31.453 7.107 ( 0.000 14.921 11.269) 18.698 7.281 ( 0.000 2.833 3.015) 4.137 7.659 ( 0.000 -13.798 -5.031) 14.686 7.940 ( 0.000 -15.645 6.413) 16.908 8.373 ( 0.000 4.880 5.554) 7.393 8.387 ( 0.000 -3.958 4.711) 6.153 8.518 ( 0.000 -6.732 -0.567) 6.756 8.584 ( 0.000 12.401 -17.708) 21.618 8.867 ( 0.000 4.820 -4.537) 6.620 8.991 ( 0.000 7.764 2.979) 8.315 9.161 ( 0.000 5.697 1.213) 5.825 9.447 ( 0.000 3.949 2.243) 4.541 9.766 ( 0.000 -12.729 4.937) 13.652 10.077 ( 0.000 10.203 4.502) 11.152 10.194 ( 0.000 -5.891 -12.020) 13.385 10.381 ( 0.000 5.167 -3.124) 6.038 10.397 ( 0.000 3.590 9.007) 9.696 10.742 ( 0.000 -1.949 4.615) 5.009 10.824 ( 0.000 -6.030 -8.525) 10.442 10.983 ( 0.000 -3.874 -12.562) 13.146 11.077 ( 0.000 7.437 14.061) 15.907 11.385 ( 0.000 3.560 4.939) 6.089 11.557 ( 0.000 18.040 -2.484) 18.210 11.620 ( 0.000 14.266 -9.752) 17.280 11.721 ( 0.000 -2.789 -8.534) 8.978 11.938 ( 0.000 1.837 5.279) 5.589 12.320 ( 0.000 19.279 -37.461) 42.131 12.353 ( 0.000 -14.042 16.048) 21.324 12.406 ( 0.000 -7.102 7.853) 10.588 12.809 ( 0.000 -7.226 -3.989) 8.254 13.268 ( 0.000 0.352 -4.029) 4.045 13.499 ( 0.000 19.176 -0.287) 19.178 13.680 ( 0.000 -7.425 -3.032) 8.020 14.261 ( 0.000 0.829 19.620) 19.638 14.497 ( 0.000 5.219 19.595) 20.278 14.892 ( 0.000 2.426 -10.221) 10.504 15.199 ( 0.000 -2.087 -1.321) 2.470 15.679 ( 0.000 15.086 -19.151) 24.379 15.889 ( 0.000 -22.926 -1.090) 22.952 15.896 ( 0.000 7.376 7.017) 10.180 16.284 ( 0.000 12.196 -8.196) 14.694 16.459 ( 0.000 3.565 3.212) 4.798 16.814 ( 0.000 9.520 -4.995) 10.751 17.248 ( 0.000 -1.184 -1.144) 1.646 17.390 ( 0.000 -5.994 -1.636) 6.213 17.941 ( 0.000 -24.628 13.586) 28.127 17.960 ( 0.000 -4.554 9.474) 10.511 18.019 ( 0.000 4.310 2.932) 5.213 18.170 ( 0.000 -1.342 -8.727) 8.829 18.337 ( 0.000 -10.988 0.439) 10.996 18.440 ( 0.000 -1.711 -25.159) 25.217 18.542 ( 0.000 3.760 -10.126) 10.802 18.712 ( 0.000 0.880 -6.080) 6.143 18.984 ( 0.000 -7.241 -13.897) 15.671 19.415 ( 0.000 -3.915 2.432) 4.609 19.690 ( 0.000 11.576 5.543) 12.835 20.406 ( 0.000 -4.656 18.945) 19.509 20.892 ( 0.000 -5.093 -0.163) 5.096 20.926 ( 0.000 -3.330 10.788) 11.291 21.364 ( 0.000 10.360 -2.385) 10.631 21.774 ( 0.000 29.691 -21.825) 36.850 22.639 ( 0.000 4.043 -10.602) 11.347 23.012 ( 0.000 -5.170 -15.048) 15.911 24.445 ( 0.000 -5.020 -0.067) 5.021 24.480 ( 0.000 -7.342 -0.155) 7.344 25.250 ( 0.000 5.255 0.313) 5.265 25.495 ( 0.000 3.217 -1.730) 3.652 26.820 ( 0.000 3.494 0.613) 3.548 27.034 ( 0.000 4.215 -2.052) 4.688 27.135 ( 0.000 3.639 -1.277) 3.857 27.270 ( 0.000 -2.349 -11.532) 11.769 27.541 ( 0.000 0.848 9.469) 9.506 27.686 ( 0.000 -0.827 5.480) 5.542 27.770 ( 0.000 -0.108 3.966) 3.967 27.838 ( 0.000 -2.614 13.352) 13.606 28.029 ( 0.000 -14.334 28.924) 32.281 28.615 ( 0.000 -4.698 2.834) 5.487 29.802 ( 0.000 3.253 -0.499) 3.291 31.018 ( 0.000 -16.057 -10.908) 19.412 31.897 ( 0.000 22.538 -9.167) 24.330 32.660 ( 0.000 -1.330 -5.019) 5.192 ======================= Grid point 57 (22/80) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 27.308 35.793 23.853) 50.949 1.997 ( 27.514 32.535 27.768) 50.859 3.004 ( 6.045 29.806 11.420) 32.486 3.194 ( 40.164 46.083 54.556) 81.934 4.518 ( -15.551 15.139 17.242) 27.719 5.086 ( -15.344 -17.207 11.495) 25.762 5.351 ( -1.331 -20.846 3.041) 21.108 5.617 ( 0.896 -9.567 -6.642) 11.681 5.725 ( -15.513 2.072 6.281) 16.864 5.870 ( 3.843 -6.816 1.090) 7.901 6.139 ( -6.354 -11.667 14.238) 19.474 6.359 ( 2.166 -10.634 6.051) 12.425 6.441 ( 0.200 -11.329 14.683) 18.547 6.681 ( 7.216 -8.057 4.013) 11.536 6.938 ( -3.747 -20.444 16.801) 26.726 7.169 ( 1.997 2.720 4.396) 5.541 7.290 ( 2.655 2.664 4.614) 5.953 7.615 ( -2.142 -6.553 -0.456) 6.909 8.036 ( -9.177 -8.156 -6.795) 14.033 8.224 ( -6.030 5.285 0.467) 8.032 8.391 ( -4.036 -4.063 17.935) 18.827 8.496 ( 8.206 -10.917 3.308) 14.052 8.743 ( 2.065 10.372 -8.491) 13.563 8.937 ( 2.472 -2.064 -3.360) 4.654 9.046 ( 10.795 1.122 3.553) 11.419 9.247 ( 5.147 2.058 -0.455) 5.562 9.407 ( -0.468 3.638 -0.545) 3.708 9.812 ( 4.376 -11.180 3.062) 12.391 10.006 ( -2.294 7.433 -2.330) 8.121 10.227 ( -2.595 1.951 1.225) 3.470 10.326 ( 0.630 2.046 -8.374) 8.643 10.428 ( 0.622 0.310 1.660) 1.799 10.762 ( -7.002 1.109 -6.468) 9.597 10.847 ( 0.104 2.136 -5.280) 5.697 10.940 ( 6.304 -11.360 -3.942) 13.576 10.997 ( -5.249 10.525 3.014) 12.141 11.412 ( -4.881 8.447 -1.025) 9.810 11.491 ( 4.075 -1.894 6.329) 7.762 11.614 ( -0.399 10.409 -4.288) 11.264 11.711 ( -1.015 -0.708 -10.959) 11.028 12.010 ( 1.916 -0.707 7.928) 8.187 12.177 ( 0.618 10.247 -5.572) 11.680 12.330 ( -0.955 -14.487 7.984) 16.569 12.713 ( 6.002 -4.093 -2.795) 7.784 12.853 ( 5.785 -1.214 -4.511) 7.436 13.103 ( -8.249 -2.064 -2.943) 8.998 13.403 ( -0.260 -12.832 5.140) 13.825 13.975 ( 1.599 0.488 -12.811) 12.920 14.285 ( 2.002 1.169 16.875) 17.034 14.419 ( -6.828 2.501 16.117) 17.682 14.888 ( 4.693 5.692 -4.846) 8.826 15.296 ( 12.563 8.651 -16.279) 22.309 15.551 ( -12.530 -5.269 0.548) 13.604 15.792 ( 6.057 14.347 -19.474) 24.935 16.078 ( 5.340 4.271 0.228) 6.841 16.524 ( 5.412 -0.967 1.859) 5.803 16.664 ( 25.800 0.274 -5.726) 26.429 16.822 ( 0.629 7.235 -3.882) 8.234 17.183 ( -5.209 -5.262 -4.193) 8.509 17.346 ( -4.813 1.033 -3.686) 6.150 17.842 ( -8.288 -20.782 28.631) 36.336 17.974 ( -1.768 0.656 -8.657) 8.860 18.003 ( 3.602 -5.848 6.041) 9.147 18.102 ( -2.256 1.743 -3.904) 4.834 18.317 ( -1.879 -5.250 -28.587) 29.126 18.531 ( 4.506 1.910 5.038) 7.024 18.592 ( 2.132 -3.125 -8.769) 9.551 18.730 ( 2.737 2.596 -4.162) 5.617 18.973 ( -0.534 -4.885 -14.016) 14.853 19.381 ( -4.263 -1.517 1.881) 4.900 19.666 ( -1.842 12.490 3.324) 13.056 20.175 ( -29.801 19.504 7.531) 36.404 20.487 ( -8.353 6.865 17.481) 20.554 20.794 ( -9.166 -8.493 10.817) 16.528 21.291 ( 4.733 16.979 7.086) 18.997 21.908 ( 3.945 7.830 -10.225) 13.470 22.803 ( 6.185 0.395 -14.704) 15.957 23.014 ( 1.031 -6.425 -12.578) 14.161 24.450 ( 0.557 -4.455 -0.414) 4.508 24.507 ( 0.322 -4.765 -0.617) 4.815 25.479 ( 6.788 -1.763 -4.375) 8.266 25.787 ( 23.818 -9.025 -19.026) 31.791 26.820 ( 0.566 4.523 -0.352) 4.572 26.983 ( -3.261 2.594 -2.649) 4.938 27.190 ( 4.297 2.747 -1.988) 5.474 27.308 ( 2.757 -1.022 -9.673) 10.110 27.526 ( -1.493 0.771 7.480) 7.666 27.656 ( -8.001 3.520 1.942) 8.955 27.693 ( -0.768 -0.338 5.943) 6.002 27.773 ( -2.992 -4.731 12.761) 13.935 28.132 ( 8.936 -16.943 27.921) 33.860 28.714 ( 6.893 -7.024 3.045) 10.301 29.745 ( -4.726 3.728 1.124) 6.123 30.636 ( -28.508 1.496 -0.908) 28.562 31.860 ( 2.976 18.143 -0.427) 18.390 32.631 ( -4.054 0.827 -5.424) 6.822 ======================= Grid point 58 (23/80) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 32.270 24.972 21.732) 46.230 2.728 ( 38.368 14.922 11.140) 42.649 3.116 ( 6.338 28.487 11.734) 31.454 4.041 ( 6.785 27.111 16.960) 32.690 4.309 ( 6.084 9.037 36.899) 38.474 4.643 ( -11.994 3.709 20.796) 24.291 4.977 ( -20.018 0.401 10.847) 22.772 5.603 ( 4.102 -4.289 2.993) 6.646 5.726 ( 6.912 -13.998 -2.492) 15.809 5.889 ( -5.045 -6.633 5.612) 10.047 6.160 ( 7.948 -11.671 12.180) 18.647 6.320 ( -8.577 -14.407 -2.994) 17.032 6.417 ( -1.971 -6.624 19.776) 20.949 6.758 ( -12.179 -0.798 3.908) 12.815 6.897 ( -2.611 -18.116 8.712) 20.271 7.055 ( 0.869 -4.670 -2.961) 5.597 7.283 ( -7.608 -12.624 3.211) 15.085 7.549 ( -16.431 1.507 -0.264) 16.502 7.738 ( 9.828 1.591 11.124) 14.929 8.247 ( -7.366 0.409 16.708) 18.264 8.309 ( 5.026 6.318 8.012) 11.374 8.572 ( -0.549 -1.997 7.462) 7.744 8.813 ( 5.517 15.431 -7.300) 17.939 8.955 ( 1.628 -6.606 -2.770) 7.346 9.250 ( -4.603 2.560 -3.772) 6.478 9.329 ( 9.714 -11.971 1.487) 15.488 9.444 ( 4.221 -0.627 6.004) 7.366 9.902 ( -9.228 -0.667 -3.178) 9.783 9.970 ( 0.832 -11.950 0.260) 11.982 10.144 ( 8.830 4.216 -2.739) 10.161 10.337 ( -3.176 -7.460 -0.366) 8.116 10.478 ( 0.226 3.427 -13.753) 14.175 10.674 ( 6.781 1.902 -7.643) 10.393 10.816 ( -1.131 5.264 -4.434) 6.975 10.978 ( -1.948 4.128 -8.934) 10.033 11.079 ( 2.707 3.306 -7.738) 8.839 11.259 ( -5.238 -1.087 1.312) 5.508 11.464 ( -7.174 11.865 -6.178) 15.179 11.636 ( -1.511 -6.762 -6.562) 9.543 11.717 ( 3.489 -16.284 18.255) 24.710 12.088 ( 9.746 -2.487 4.102) 10.863 12.246 ( 2.181 -1.226 0.170) 2.507 12.387 ( 6.282 -1.598 1.411) 6.634 12.643 ( -7.302 0.644 9.349) 11.880 12.869 ( -8.230 2.460 -1.481) 8.717 12.988 ( -4.976 1.399 0.659) 5.211 13.458 ( 5.376 -20.034 0.609) 20.751 13.791 ( -9.960 -10.062 -7.658) 16.096 14.311 ( 0.928 1.953 17.011) 17.148 14.352 ( -0.911 1.480 17.022) 17.110 14.976 ( 3.970 8.696 -6.073) 11.325 15.291 ( -10.529 -4.069 2.921) 11.660 15.686 ( 17.509 13.041 -26.958) 34.689 15.977 ( 8.144 3.982 -21.644) 23.466 16.153 ( 4.151 25.217 -4.926) 26.027 16.613 ( -0.912 2.462 0.157) 2.630 16.800 ( -0.362 0.227 -3.935) 3.958 17.019 ( -6.305 -3.791 -11.036) 13.263 17.141 ( 9.567 -14.814 -5.591) 18.500 17.251 ( -1.737 -0.080 -3.619) 4.015 17.729 ( 1.684 -9.304 28.893) 30.401 17.929 ( -1.909 -0.255 -12.409) 12.557 18.111 ( 4.951 -7.044 -1.077) 8.677 18.133 ( 2.674 2.372 -1.038) 3.722 18.270 ( -0.730 -3.015 -19.524) 19.768 18.514 ( -6.560 -7.633 4.694) 11.105 18.638 ( 4.539 4.313 0.308) 6.269 18.828 ( 5.652 7.221 -1.836) 9.352 18.975 ( -0.555 4.419 -7.401) 8.638 19.197 ( -11.567 4.912 2.265) 12.769 19.634 ( -0.715 12.851 -3.165) 13.254 19.740 ( -9.302 19.453 -1.662) 21.627 20.427 ( -0.674 -1.028 22.381) 22.415 20.596 ( -8.560 -6.255 15.567) 18.834 21.464 ( 10.535 12.268 3.248) 16.494 21.898 ( -5.244 5.469 -5.168) 9.172 22.895 ( 4.299 -4.332 -12.245) 13.681 23.037 ( -0.022 -5.970 -12.210) 13.592 24.466 ( 0.868 -3.487 -0.525) 3.631 24.499 ( -0.652 -3.107 -0.296) 3.188 25.632 ( 8.325 -1.315 -3.949) 9.307 26.006 ( -2.666 -7.995 -14.643) 16.896 26.856 ( 2.208 4.603 -4.217) 6.621 26.925 ( -2.005 1.855 -3.378) 4.344 27.291 ( 4.148 0.943 -3.560) 5.547 27.358 ( 1.344 1.194 -6.304) 6.556 27.471 ( -2.617 1.603 0.831) 3.180 27.521 ( -3.270 2.243 4.487) 5.988 27.695 ( 0.358 -0.918 6.704) 6.776 27.727 ( -1.460 -2.690 9.475) 9.957 28.385 ( 13.860 -21.334 19.791) 32.232 28.809 ( -0.098 -15.257 4.426) 15.886 29.661 ( -0.922 7.733 4.093) 8.798 30.095 ( -20.202 11.351 4.442) 23.594 32.024 ( 10.613 10.486 -0.355) 14.924 32.486 ( -9.012 3.543 -3.834) 10.415 ======================= Grid point 59 (24/80) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -9.327 25.729 11.916) 29.850 3.073 ( 9.327 25.729 11.916) 29.850 3.619 ( -35.968 3.122 6.161) 36.625 3.619 ( 35.968 3.122 6.161) 36.625 4.262 ( -15.670 10.706 31.345) 36.643 4.262 ( 15.670 10.706 31.345) 36.643 5.575 ( -28.914 5.843 11.698) 31.733 5.575 ( 28.914 5.843 11.698) 31.733 5.790 ( -5.514 2.594 7.837) 9.927 5.790 ( 5.514 2.594 7.837) 9.927 6.149 ( -5.415 -13.135 -6.203) 15.502 6.149 ( 5.415 -13.135 -6.203) 15.502 6.348 ( -4.132 -4.687 21.960) 22.832 6.348 ( 4.132 -4.687 21.960) 22.832 7.030 ( -11.109 -23.939 2.914) 26.551 7.030 ( 11.109 -23.939 2.914) 26.551 7.297 ( -12.640 -5.093 -1.899) 13.759 7.297 ( 12.640 -5.093 -1.899) 13.759 8.010 ( -13.011 4.234 15.003) 20.305 8.010 ( 13.011 4.234 15.003) 20.305 8.462 ( -8.194 8.851 7.247) 14.071 8.462 ( 8.194 8.851 7.247) 14.071 8.959 ( -7.278 4.038 -8.473) 11.877 8.959 ( 7.278 4.038 -8.473) 11.877 9.266 ( -10.645 1.775 6.687) 12.696 9.266 ( 10.645 1.775 6.687) 12.696 9.625 ( -9.427 -12.354 1.213) 15.587 9.625 ( 9.427 -12.354 1.213) 15.587 10.137 ( -10.288 -9.706 -1.923) 14.273 10.137 ( 10.288 -9.706 -1.923) 14.273 10.421 ( -11.109 -1.802 -7.484) 13.515 10.421 ( 11.109 -1.802 -7.484) 13.515 10.782 ( -9.973 8.405 -11.784) 17.578 10.782 ( 9.973 8.405 -11.784) 17.578 11.037 ( -13.564 0.784 -7.534) 15.535 11.037 ( 13.564 0.784 -7.534) 15.535 11.256 ( -9.477 9.024 -7.774) 15.221 11.256 ( 9.477 9.024 -7.774) 15.221 11.695 ( -4.859 -17.855 11.440) 21.755 11.695 ( 4.859 -17.855 11.440) 21.755 12.332 ( -7.120 0.642 -0.680) 7.182 12.332 ( 7.120 0.642 -0.680) 7.182 12.440 ( -16.334 -3.244 8.943) 18.902 12.440 ( 16.334 -3.244 8.943) 18.902 12.812 ( -8.862 5.540 3.442) 11.003 12.812 ( 8.862 5.540 3.442) 11.003 13.616 ( -8.040 -15.119 -5.224) 17.903 13.616 ( 8.040 -15.119 -5.224) 17.903 14.333 ( -1.044 2.114 16.840) 17.004 14.333 ( 1.044 2.114 16.840) 17.004 15.097 ( -7.492 2.557 -1.087) 7.991 15.097 ( 7.492 2.557 -1.087) 7.991 15.961 ( -7.929 10.357 -21.627) 25.256 15.961 ( 7.929 10.357 -21.627) 25.256 16.395 ( -15.117 18.087 -9.103) 25.268 16.395 ( 15.117 18.087 -9.103) 25.268 16.880 ( -5.963 -7.207 -6.454) 11.365 16.880 ( 5.963 -7.207 -6.454) 11.365 17.221 ( -2.260 -7.148 -0.817) 7.541 17.221 ( 2.260 -7.148 -0.817) 7.541 17.867 ( -5.785 -9.397 7.799) 13.512 17.867 ( 5.785 -9.397 7.799) 13.512 18.150 ( -0.570 1.186 -14.436) 14.496 18.150 ( 0.570 1.186 -14.436) 14.496 18.353 ( -7.035 -6.983 5.076) 11.136 18.353 ( 7.035 -6.983 5.076) 11.136 18.807 ( -9.841 9.849 -0.912) 13.953 18.807 ( 9.841 9.849 -0.912) 13.953 19.002 ( -6.264 7.883 0.530) 10.083 19.002 ( 6.264 7.883 0.530) 10.083 19.644 ( -1.774 11.455 -7.853) 14.001 19.644 ( 1.774 11.455 -7.853) 14.001 20.457 ( -3.961 -2.556 21.145) 21.664 20.457 ( 3.961 -2.556 21.145) 21.664 21.708 ( -11.320 7.627 -1.176) 13.700 21.708 ( 11.320 7.627 -1.176) 13.700 22.992 ( -3.998 -6.283 -11.945) 14.076 22.992 ( 3.998 -6.283 -11.945) 14.076 24.484 ( -0.772 -2.879 -0.427) 3.011 24.484 ( 0.772 -2.879 -0.427) 3.011 25.836 ( -10.258 -2.867 -6.570) 12.515 25.836 ( 10.258 -2.867 -6.570) 12.515 26.893 ( -1.303 3.079 -4.330) 5.470 26.893 ( 1.303 3.079 -4.330) 5.470 27.350 ( -1.688 2.093 -3.974) 4.798 27.350 ( 1.688 2.093 -3.974) 4.798 27.471 ( -1.787 0.963 1.506) 2.528 27.471 ( 1.787 0.963 1.506) 2.528 27.706 ( -0.642 -1.429 7.813) 7.968 27.706 ( 0.642 -1.429 7.813) 7.968 28.673 ( -11.579 -21.776 10.288) 26.723 28.673 ( 11.579 -21.776 10.288) 26.723 29.767 ( -10.636 11.732 4.360) 16.424 29.767 ( 10.636 11.732 4.360) 16.424 32.265 ( -11.270 6.331 -2.008) 13.081 32.265 ( 11.270 6.331 -2.008) 13.081 ======================= Grid point 63 (25/80) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 0.000 46.462 26.624) 53.550 2.661 ( 0.000 51.027 14.164) 52.956 3.732 ( 0.000 39.852 3.527) 40.007 4.003 ( 0.000 65.894 38.369) 76.251 4.493 ( 0.000 -39.350 26.286) 47.321 4.659 ( 0.000 -36.276 1.683) 36.315 5.254 ( 0.000 28.452 8.750) 29.767 5.324 ( 0.000 -24.431 -7.692) 25.613 5.661 ( 0.000 -12.228 -11.325) 16.667 5.847 ( 0.000 1.504 0.708) 1.662 6.050 ( 0.000 -4.029 -2.212) 4.596 6.171 ( 0.000 -13.211 5.190) 14.194 6.222 ( 0.000 -17.879 16.420) 24.275 6.407 ( 0.000 0.828 24.677) 24.691 6.483 ( 0.000 -16.594 22.250) 27.756 6.985 ( 0.000 -23.125 0.835) 23.140 7.182 ( 0.000 -11.104 -0.116) 11.104 7.424 ( 0.000 -29.608 9.144) 30.988 7.667 ( 0.000 10.437 19.014) 21.691 8.259 ( 0.000 -10.574 19.034) 21.774 8.395 ( 0.000 1.557 3.752) 4.062 8.420 ( 0.000 -0.069 -7.721) 7.721 8.894 ( 0.000 5.478 -5.325) 7.640 8.900 ( 0.000 0.496 0.476) 0.687 9.041 ( 0.000 10.192 -8.905) 13.534 9.301 ( 0.000 4.155 -3.919) 5.712 9.588 ( 0.000 10.545 0.697) 10.568 9.762 ( 0.000 8.908 12.761) 15.562 10.130 ( 0.000 -1.435 -6.751) 6.902 10.198 ( 0.000 -8.128 -0.456) 8.141 10.354 ( 0.000 2.946 4.647) 5.503 10.485 ( 0.000 2.075 -7.198) 7.491 10.688 ( 0.000 -2.032 1.741) 2.676 10.731 ( 0.000 -4.333 -20.150) 20.610 11.063 ( 0.000 9.260 -8.443) 12.531 11.182 ( 0.000 3.522 5.996) 6.954 11.449 ( 0.000 3.839 3.110) 4.941 11.609 ( 0.000 -6.380 6.642) 9.210 11.732 ( 0.000 -5.594 -4.647) 7.272 11.804 ( 0.000 1.420 -4.525) 4.743 11.972 ( 0.000 -11.270 7.548) 13.564 12.051 ( 0.000 3.722 12.966) 13.490 12.346 ( 0.000 7.075 -1.348) 7.202 12.674 ( 0.000 -1.649 -6.410) 6.618 12.777 ( 0.000 15.117 -20.352) 25.352 13.198 ( 0.000 -6.365 -2.468) 6.826 13.673 ( 0.000 6.235 0.996) 6.314 13.777 ( 0.000 7.456 1.744) 7.657 14.296 ( 0.000 3.161 20.040) 20.288 14.542 ( 0.000 -1.049 22.784) 22.808 15.007 ( 0.000 5.218 -6.014) 7.962 15.068 ( 0.000 -7.851 -0.339) 7.859 15.404 ( 0.000 -17.090 -3.683) 17.482 15.690 ( 0.000 -7.999 -5.307) 9.599 16.316 ( 0.000 18.536 -13.551) 22.961 16.547 ( 0.000 9.618 -15.381) 18.141 16.597 ( 0.000 11.144 0.719) 11.167 16.869 ( 0.000 -3.704 -6.274) 7.286 17.240 ( 0.000 1.494 1.937) 2.446 17.378 ( 0.000 5.946 3.657) 6.980 17.557 ( 0.000 -11.615 22.632) 25.438 17.818 ( 0.000 -9.376 6.618) 11.477 18.116 ( 0.000 -1.974 -17.752) 17.861 18.117 ( 0.000 3.150 -0.833) 3.258 18.294 ( 0.000 0.956 -26.457) 26.474 18.407 ( 0.000 -2.189 -18.749) 18.876 18.663 ( 0.000 5.359 -1.759) 5.640 18.779 ( 0.000 8.055 -1.719) 8.236 18.836 ( 0.000 -6.077 -11.748) 13.226 19.286 ( 0.000 -8.958 5.379) 10.449 19.945 ( 0.000 11.637 12.368) 16.982 20.286 ( 0.000 -6.200 17.985) 19.023 20.738 ( 0.000 -6.133 2.859) 6.766 20.824 ( 0.000 -6.098 4.905) 7.826 21.639 ( 0.000 14.569 -0.513) 14.578 22.056 ( 0.000 1.087 -9.267) 9.331 22.733 ( 0.000 4.222 -12.650) 13.336 22.890 ( 0.000 -5.342 -17.220) 18.030 24.330 ( 0.000 -5.667 -0.334) 5.676 24.334 ( 0.000 -4.738 -0.493) 4.764 25.374 ( 0.000 6.012 1.021) 6.098 25.532 ( 0.000 -0.174 0.088) 0.195 26.917 ( 0.000 5.485 -3.264) 6.383 27.147 ( 0.000 5.770 -1.408) 5.939 27.153 ( 0.000 -3.697 -7.570) 8.425 27.249 ( 0.000 1.222 -3.995) 4.178 27.581 ( 0.000 3.085 9.162) 9.667 27.665 ( 0.000 -1.009 7.405) 7.473 27.682 ( 0.000 -3.548 14.796) 15.216 27.763 ( 0.000 -4.345 12.550) 13.280 28.056 ( 0.000 8.724 10.686) 13.795 28.473 ( 0.000 -8.630 4.369) 9.673 29.929 ( 0.000 9.272 -2.030) 9.492 30.605 ( 0.000 -20.749 -6.132) 21.636 32.276 ( 0.000 13.718 -9.107) 16.466 32.611 ( 0.000 -3.616 -5.785) 6.822 ======================= Grid point 64 (26/80) ======================= q-point: ( 0.17 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 15.330 42.750 26.190) 52.426 2.816 ( 15.322 47.049 11.979) 50.910 3.769 ( 3.360 39.665 4.317) 40.040 4.285 ( 22.212 48.193 32.659) 62.310 4.495 ( -1.090 -30.715 27.906) 41.513 4.721 ( 6.484 -30.860 1.172) 31.556 5.054 ( -10.296 19.526 8.669) 23.716 5.403 ( -14.793 -7.643 -8.633) 18.756 5.487 ( 3.354 -19.624 -2.517) 20.067 5.860 ( 0.570 2.086 0.505) 2.220 5.923 ( -9.484 -5.021 11.033) 15.391 6.098 ( -6.231 -11.269 7.984) 15.152 6.295 ( 5.163 -6.668 9.504) 12.706 6.389 ( -3.314 -16.638 19.157) 25.589 6.600 ( 10.532 -9.638 12.850) 19.207 6.910 ( -6.953 -21.630 3.274) 22.955 7.207 ( 3.132 -8.663 2.645) 9.584 7.542 ( 6.470 -28.528 -0.014) 29.252 7.759 ( 6.950 6.362 16.367) 18.886 8.246 ( -2.524 -8.374 17.034) 19.148 8.375 ( -3.132 8.094 -0.740) 8.710 8.443 ( 3.340 4.445 5.764) 8.009 8.725 ( -1.757 -3.924 -2.825) 5.144 8.942 ( -4.200 -6.401 -5.296) 9.309 9.151 ( 7.979 12.837 -2.096) 15.259 9.369 ( -2.552 8.051 2.698) 8.866 9.483 ( -1.206 5.220 -2.181) 5.785 9.782 ( 0.411 5.024 8.827) 10.165 10.137 ( 3.623 -1.467 -7.529) 8.483 10.221 ( -0.578 0.212 -2.284) 2.365 10.263 ( -9.935 -5.211 -1.541) 11.324 10.552 ( 5.340 8.742 -3.395) 10.792 10.673 ( -1.658 -9.830 -6.528) 11.916 10.790 ( 3.323 -0.416 -6.469) 7.285 10.950 ( -4.911 7.780 -6.881) 11.489 11.138 ( -1.445 1.048 2.457) 3.037 11.400 ( -4.831 -2.589 3.373) 6.436 11.563 ( -5.162 -1.981 0.006) 5.529 11.633 ( -7.823 1.083 -3.271) 8.548 11.749 ( -1.814 -4.603 -5.618) 7.486 12.003 ( 1.252 -3.169 4.047) 5.290 12.084 ( 0.929 -4.376 12.881) 13.636 12.347 ( 1.819 8.238 -3.904) 9.296 12.658 ( -3.837 -1.749 -13.331) 13.982 12.914 ( 10.552 9.038 -7.237) 15.665 13.190 ( -2.475 2.353 7.374) 8.126 13.233 ( -14.707 3.111 6.381) 16.331 13.915 ( -7.946 -7.170 1.103) 10.759 14.314 ( 1.221 1.663 18.349) 18.465 14.438 ( -6.925 -1.798 20.813) 22.009 15.062 ( 10.823 10.158 -5.104) 15.696 15.344 ( 14.612 -1.586 -6.503) 16.072 15.366 ( -0.890 -7.533 -2.882) 8.114 15.798 ( 7.908 -10.048 -8.175) 15.176 16.397 ( 6.646 12.215 -13.058) 19.076 16.639 ( 4.610 13.505 -1.406) 14.339 16.694 ( 9.820 1.781 -15.379) 18.334 16.880 ( 1.524 -1.457 -5.481) 5.873 17.149 ( -5.750 4.568 -2.361) 7.714 17.417 ( -0.339 5.924 0.857) 5.995 17.542 ( -0.583 -9.734 21.280) 23.408 17.828 ( -0.380 -10.499 3.486) 11.069 17.998 ( -3.246 0.716 -9.492) 10.057 18.110 ( -3.635 -1.800 -12.161) 12.820 18.277 ( 0.857 2.233 -24.373) 24.490 18.455 ( -0.528 -5.013 -10.775) 11.896 18.659 ( 0.336 3.539 -1.122) 3.728 18.853 ( 6.625 1.403 -4.735) 8.263 18.875 ( 4.608 3.927 -3.437) 6.962 19.312 ( 0.882 -5.878 4.793) 7.636 19.925 ( -1.526 11.263 12.543) 16.926 20.219 ( -6.665 -4.432 15.810) 17.721 20.599 ( -10.664 -2.031 3.878) 11.528 20.669 ( -10.653 -1.592 5.974) 12.316 21.665 ( 3.483 16.936 1.495) 17.355 22.056 ( 0.487 3.150 -6.681) 7.402 22.806 ( 1.279 -0.341 -14.162) 14.224 22.864 ( 0.119 -6.167 -12.624) 14.050 24.355 ( 1.753 -3.793 -0.674) 4.232 24.386 ( 3.114 -5.453 -1.395) 6.432 25.458 ( 6.340 0.730 -3.279) 7.175 25.630 ( 8.695 -6.060 -2.997) 11.014 26.941 ( 2.002 6.433 -3.379) 7.537 27.061 ( -4.038 3.599 -1.621) 5.647 27.247 ( 3.353 1.536 -3.573) 5.135 27.276 ( 3.655 -1.440 -7.769) 8.705 27.565 ( -1.548 2.822 7.201) 7.888 27.665 ( -0.340 -1.569 7.884) 8.045 27.670 ( -0.751 -2.761 12.417) 12.742 27.710 ( -5.351 -0.690 5.869) 7.972 28.033 ( 0.658 4.641 17.983) 18.583 28.496 ( 0.610 -12.534 5.448) 13.680 29.889 ( -3.019 9.745 -1.043) 10.255 30.457 ( -12.271 -14.067 -4.238) 19.142 32.234 ( -1.257 15.227 -5.247) 16.154 32.608 ( -1.487 -3.325 -6.020) 7.036 ======================= Grid point 65 (27/80) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 24.804 35.466 20.853) 48.041 3.270 ( 24.480 34.188 7.700) 42.748 3.855 ( 3.146 37.993 2.010) 38.176 4.349 ( -15.249 -1.183 26.368) 30.483 4.516 ( -4.598 6.837 20.491) 22.085 4.764 ( -11.426 -1.299 16.841) 20.393 5.099 ( 13.879 -18.432 0.735) 23.085 5.255 ( 11.238 7.727 7.051) 15.353 5.542 ( 2.884 -10.611 2.024) 11.181 5.723 ( -5.623 -7.162 12.376) 15.364 5.912 ( 3.947 -1.652 -1.109) 4.420 5.997 ( -1.585 -8.176 5.729) 10.108 6.259 ( -5.971 -13.911 13.957) 20.590 6.405 ( 4.483 -14.168 11.265) 18.647 6.706 ( -9.489 -21.851 7.447) 24.959 6.870 ( 8.868 1.444 3.149) 9.520 7.200 ( -8.817 3.464 3.491) 10.096 7.494 ( -10.056 -12.440 -4.127) 16.520 7.904 ( 7.607 8.319 15.355) 19.048 8.200 ( -1.856 -5.016 17.806) 18.592 8.342 ( 3.163 -1.355 7.401) 8.162 8.548 ( 4.158 5.056 8.301) 10.571 8.743 ( 0.407 -9.092 -0.375) 9.108 8.880 ( 2.095 -9.112 -7.080) 11.728 9.245 ( -2.540 0.825 -0.937) 2.830 9.336 ( 10.054 11.075 3.219) 15.301 9.548 ( 0.042 1.307 -2.557) 2.872 9.732 ( -8.831 -7.067 6.917) 13.258 9.911 ( -13.331 3.344 -2.170) 13.914 10.187 ( -6.430 -6.072 -5.325) 10.323 10.248 ( 5.443 3.235 -0.720) 6.372 10.528 ( -3.895 0.066 -8.720) 9.550 10.773 ( 6.131 -2.157 -5.843) 8.740 10.821 ( 8.046 7.393 -4.979) 12.008 11.049 ( 7.271 -1.220 -1.328) 7.491 11.121 ( -0.379 4.342 -6.067) 7.471 11.317 ( -7.987 -5.245 2.107) 9.785 11.366 ( -5.357 -1.638 -8.389) 10.087 11.465 ( -6.706 -6.928 5.714) 11.208 11.671 ( -9.985 -0.414 -15.322) 18.293 12.033 ( 6.887 -2.460 4.105) 8.386 12.135 ( 4.345 -8.448 7.850) 12.324 12.426 ( 3.304 4.484 -7.063) 8.995 12.579 ( -5.331 -3.375 -2.355) 6.735 12.936 ( -7.218 5.775 10.162) 13.737 13.008 ( -3.420 4.556 -0.590) 5.727 13.290 ( 6.223 -0.986 9.329) 11.258 13.631 ( -12.469 -7.669 4.919) 15.443 14.338 ( 1.081 0.816 18.094) 18.145 14.373 ( -0.857 -0.047 19.047) 19.066 15.199 ( 3.799 12.681 -6.794) 14.880 15.316 ( -2.272 6.141 -2.087) 6.872 15.725 ( 15.541 -5.845 -7.953) 18.410 15.945 ( 4.566 -9.483 -8.978) 13.834 16.556 ( 7.491 1.904 -11.738) 14.055 16.740 ( 2.705 11.486 -4.579) 12.657 16.818 ( 2.876 1.556 -15.286) 15.632 16.980 ( 6.279 -0.834 -9.861) 11.721 17.036 ( -4.747 11.320 -9.583) 15.573 17.297 ( -9.039 4.407 -10.407) 14.472 17.579 ( 3.487 -5.186 17.114) 18.219 17.749 ( -4.705 -10.728 1.292) 11.785 18.055 ( 4.671 -3.336 -10.156) 11.666 18.080 ( 2.730 -4.234 -2.437) 5.596 18.266 ( -3.547 -0.283 -20.682) 20.986 18.358 ( -6.731 -5.861 -0.729) 8.955 18.742 ( 8.579 5.873 -0.258) 10.400 18.976 ( 5.186 -0.089 -7.139) 8.824 19.050 ( 8.054 8.163 4.358) 12.268 19.264 ( -5.597 1.235 2.916) 6.430 19.890 ( -1.616 10.800 11.109) 15.577 20.030 ( -8.867 4.803 8.994) 13.512 20.418 ( -4.626 -0.832 8.719) 9.905 20.485 ( -6.366 -2.063 10.014) 12.044 21.776 ( 6.525 15.805 0.819) 17.119 22.048 ( -2.545 6.930 -3.406) 8.131 22.768 ( -0.742 -6.471 -11.376) 13.109 22.882 ( -1.332 -8.142 -10.901) 13.671 24.395 ( 1.617 -2.648 -0.828) 3.211 24.420 ( 0.380 -3.619 -0.808) 3.728 25.608 ( 7.795 -0.327 -5.226) 9.391 25.801 ( 4.320 -9.809 -9.272) 14.172 26.971 ( -0.286 5.035 -1.897) 5.388 26.984 ( -2.181 3.474 -1.824) 4.489 27.318 ( 3.995 1.318 -4.757) 6.350 27.369 ( 3.628 -0.269 -7.658) 8.478 27.519 ( -2.549 2.736 1.900) 4.195 27.570 ( -5.333 1.834 1.837) 5.931 27.654 ( -0.222 -2.935 8.233) 8.744 27.670 ( -0.358 -1.755 7.721) 7.926 28.121 ( 6.932 -3.946 21.851) 23.261 28.452 ( -5.005 -16.344 9.171) 19.398 29.850 ( 0.610 9.342 0.607) 9.382 30.169 ( -13.007 -2.868 -1.079) 13.364 32.273 ( 4.538 11.457 -2.786) 12.634 32.531 ( -5.382 -0.138 -4.550) 7.049 ======================= Grid point 66 (28/80) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( -7.686 30.568 5.401) 31.979 3.702 ( 7.686 30.568 5.401) 31.979 3.874 ( -19.559 19.800 10.223) 29.649 3.874 ( 19.559 19.800 10.223) 29.649 4.505 ( -8.275 12.684 32.486) 35.843 4.505 ( 8.275 12.684 32.486) 35.843 5.340 ( -6.301 -30.249 -1.248) 30.924 5.340 ( 6.301 -30.249 -1.248) 30.924 5.599 ( -4.918 -13.302 5.446) 15.191 5.599 ( 4.918 -13.302 5.446) 15.191 6.073 ( -5.472 -8.778 3.655) 10.970 6.073 ( 5.472 -8.778 3.655) 10.970 6.455 ( -34.402 21.439 12.334) 42.371 6.455 ( 34.402 21.439 12.334) 42.371 6.523 ( -6.683 -16.408 10.302) 20.494 6.523 ( 6.683 -16.408 10.302) 20.494 7.277 ( -11.600 0.122 -0.547) 11.614 7.277 ( 11.600 0.122 -0.547) 11.614 8.084 ( -8.007 2.115 17.445) 19.311 8.084 ( 8.007 2.115 17.445) 19.311 8.490 ( -7.471 -7.664 5.203) 11.900 8.490 ( 7.471 -7.664 5.203) 11.900 8.870 ( -7.304 -6.037 -2.887) 9.906 8.870 ( 7.304 -6.037 -2.887) 9.906 9.318 ( -11.851 -6.038 -0.910) 13.331 9.318 ( 11.851 -6.038 -0.910) 13.331 9.558 ( -8.348 11.608 5.103) 15.181 9.558 ( 8.348 11.608 5.103) 15.181 9.922 ( -11.291 -7.907 -1.386) 13.854 9.922 ( 11.291 -7.907 -1.386) 13.854 10.422 ( -8.501 -1.140 -4.382) 9.632 10.422 ( 8.501 -1.140 -4.382) 9.632 10.934 ( -10.658 4.923 -8.944) 14.759 10.934 ( 10.658 4.923 -8.944) 14.759 11.069 ( -6.600 4.089 -3.459) 8.500 11.069 ( 6.600 4.089 -3.459) 8.500 11.328 ( -6.530 -4.809 -1.254) 8.206 11.328 ( 6.530 -4.809 -1.254) 8.206 11.405 ( -7.528 -6.217 -7.535) 12.332 11.405 ( 7.528 -6.217 -7.535) 12.332 12.222 ( -3.185 -10.231 3.430) 11.251 12.222 ( 3.185 -10.231 3.430) 11.251 12.430 ( -5.091 2.079 -1.630) 5.736 12.430 ( 5.091 2.079 -1.630) 5.736 12.906 ( -4.343 6.593 5.547) 9.649 12.906 ( 4.343 6.593 5.547) 9.649 13.434 ( -7.376 -4.715 7.469) 11.508 13.434 ( 7.376 -4.715 7.469) 11.508 14.359 ( -0.770 0.443 18.262) 18.284 14.359 ( 0.770 0.443 18.262) 18.284 15.266 ( -2.570 12.615 -4.224) 13.549 15.266 ( 2.570 12.615 -4.224) 13.549 15.947 ( -5.078 -9.508 -7.340) 13.041 15.947 ( 5.078 -9.508 -7.340) 13.041 16.698 ( -5.211 -2.169 -8.757) 10.418 16.698 ( 5.211 -2.169 -8.757) 10.418 16.921 ( -5.745 18.586 -16.429) 25.463 16.921 ( 5.745 18.586 -16.429) 25.463 17.115 ( -7.037 -1.278 -12.627) 14.512 17.115 ( 7.037 -1.278 -12.627) 14.512 17.663 ( -3.880 -7.841 10.436) 13.618 17.663 ( 3.880 -7.841 10.436) 13.618 18.142 ( -5.600 -2.628 -10.991) 12.612 18.142 ( 5.600 -2.628 -10.991) 12.612 18.215 ( -6.630 -6.054 -1.752) 9.148 18.215 ( 6.630 -6.054 -1.752) 9.148 18.967 ( -8.800 5.220 -1.491) 10.340 18.967 ( 8.800 5.220 -1.491) 10.340 19.153 ( -2.666 5.608 1.165) 6.318 19.153 ( 2.666 5.608 1.165) 6.318 19.896 ( -3.266 10.009 7.917) 13.172 19.896 ( 3.266 10.009 7.917) 13.172 20.396 ( -1.948 -2.781 11.550) 12.038 20.396 ( 1.948 -2.781 11.550) 12.038 21.932 ( -7.408 12.390 -1.012) 14.471 21.932 ( 7.408 12.390 -1.012) 14.471 22.813 ( -3.990 -9.948 -10.323) 14.881 22.813 ( 3.990 -9.948 -10.323) 14.881 24.417 ( -0.539 -2.850 -0.611) 2.964 24.417 ( 0.539 -2.850 -0.611) 2.964 25.771 ( -6.124 -2.672 -8.024) 10.442 25.771 ( 6.124 -2.672 -8.024) 10.442 26.961 ( -0.770 2.519 -1.792) 3.186 26.961 ( 0.770 2.519 -1.792) 3.186 27.393 ( -2.026 1.897 -5.923) 6.541 27.393 ( 2.026 1.897 -5.923) 6.541 27.496 ( -1.541 1.352 0.071) 2.051 27.496 ( 1.541 1.352 0.071) 2.051 27.659 ( -0.544 -2.804 6.968) 7.530 27.659 ( 0.544 -2.804 6.968) 7.530 28.297 ( -8.661 -12.217 16.193) 22.056 28.297 ( 8.661 -12.217 16.193) 22.056 29.941 ( -7.844 4.879 0.634) 9.259 29.941 ( 7.844 4.879 0.634) 9.259 32.399 ( -6.544 5.216 -3.063) 8.911 32.399 ( 6.544 5.216 -3.063) 8.911 ======================= Grid point 70 (29/80) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( 0.000 -24.246 18.936) 30.764 3.551 ( 0.000 24.246 18.936) 30.764 3.735 ( 0.000 -24.400 13.059) 27.675 3.735 ( 0.000 24.400 13.059) 27.675 4.642 ( 0.000 -36.984 2.473) 37.067 4.642 ( 0.000 36.984 2.473) 37.067 5.227 ( 0.000 -40.671 -0.334) 40.672 5.227 ( 0.000 40.671 -0.334) 40.672 5.839 ( 0.000 -21.147 14.010) 25.367 5.839 ( 0.000 21.147 14.010) 25.367 5.920 ( 0.000 -6.326 0.945) 6.397 5.920 ( 0.000 6.326 0.945) 6.397 6.093 ( 0.000 -12.770 9.993) 16.215 6.093 ( 0.000 12.770 9.993) 16.215 6.567 ( 0.000 -15.721 21.464) 26.605 6.567 ( 0.000 15.721 21.464) 26.605 6.989 ( 0.000 -0.764 2.175) 2.306 6.989 ( 0.000 0.764 2.175) 2.306 7.981 ( 0.000 -14.989 18.615) 23.900 7.981 ( 0.000 14.989 18.615) 23.900 8.432 ( 0.000 -0.579 -1.268) 1.394 8.432 ( 0.000 0.579 -1.268) 1.394 8.903 ( 0.000 -0.029 -0.934) 0.934 8.903 ( 0.000 0.029 -0.934) 0.934 9.287 ( 0.000 -6.441 -7.127) 9.606 9.287 ( 0.000 6.441 -7.127) 9.606 9.855 ( 0.000 -10.997 5.347) 12.228 9.855 ( 0.000 10.997 5.347) 12.228 10.042 ( 0.000 -5.584 0.083) 5.585 10.042 ( 0.000 5.584 0.083) 5.585 10.445 ( 0.000 -4.033 -4.670) 6.170 10.445 ( 0.000 4.033 -4.670) 6.170 10.672 ( 0.000 -0.850 -13.283) 13.310 10.672 ( 0.000 0.850 -13.283) 13.310 11.210 ( 0.000 -2.399 -6.585) 7.008 11.210 ( 0.000 2.399 -6.585) 7.008 11.530 ( 0.000 -1.244 11.270) 11.339 11.530 ( 0.000 1.244 11.270) 11.339 11.660 ( 0.000 -5.313 -0.867) 5.384 11.660 ( 0.000 5.313 -0.867) 5.384 11.979 ( 0.000 -5.436 14.649) 15.625 11.979 ( 0.000 5.436 14.649) 15.625 12.579 ( 0.000 -8.365 -13.895) 16.219 12.579 ( 0.000 8.365 -13.895) 16.219 13.041 ( 0.000 -9.065 -7.675) 11.878 13.041 ( 0.000 9.065 -7.675) 11.878 13.816 ( 0.000 -3.944 4.626) 6.079 13.816 ( 0.000 3.944 4.626) 6.079 14.429 ( 0.000 -8.883 22.608) 24.290 14.429 ( 0.000 8.883 22.608) 24.290 14.963 ( 0.000 -0.494 -0.519) 0.717 14.963 ( 0.000 0.494 -0.519) 0.717 15.444 ( 0.000 -12.963 -4.888) 13.854 15.444 ( 0.000 12.963 -4.888) 13.854 16.568 ( 0.000 -7.335 -20.893) 22.143 16.568 ( 0.000 7.335 -20.893) 22.143 16.794 ( 0.000 -4.032 -3.215) 5.157 16.794 ( 0.000 4.032 -3.215) 5.157 17.349 ( 0.000 -8.328 13.538) 15.894 17.349 ( 0.000 8.328 13.538) 15.894 17.584 ( 0.000 -11.581 3.885) 12.215 17.584 ( 0.000 11.581 3.885) 12.215 18.122 ( 0.000 -1.699 -13.788) 13.892 18.122 ( 0.000 1.699 -13.788) 13.892 18.344 ( 0.000 -3.383 -20.532) 20.809 18.344 ( 0.000 3.383 -20.532) 20.809 18.739 ( 0.000 -3.391 -8.536) 9.185 18.739 ( 0.000 3.391 -8.536) 9.185 19.038 ( 0.000 -13.746 7.767) 15.789 19.038 ( 0.000 13.746 7.767) 15.789 20.147 ( 0.000 -7.525 17.549) 19.094 20.147 ( 0.000 7.525 17.549) 19.094 20.708 ( 0.000 -3.328 1.463) 3.635 20.708 ( 0.000 3.328 1.463) 3.635 21.927 ( 0.000 -11.522 -2.040) 11.701 21.927 ( 0.000 11.522 -2.040) 11.701 22.806 ( 0.000 -3.098 -15.677) 15.980 22.806 ( 0.000 3.098 -15.677) 15.980 24.273 ( 0.000 -0.443 -0.497) 0.666 24.273 ( 0.000 0.443 -0.497) 0.666 25.485 ( 0.000 -4.110 1.083) 4.251 25.485 ( 0.000 4.110 1.083) 4.251 27.041 ( 0.000 -6.045 -6.751) 9.061 27.041 ( 0.000 6.045 -6.751) 9.061 27.242 ( 0.000 -2.577 -1.865) 3.181 27.242 ( 0.000 2.577 -1.865) 3.181 27.651 ( 0.000 -0.136 10.669) 10.670 27.651 ( 0.000 0.136 10.669) 10.670 27.666 ( 0.000 -4.497 10.769) 11.671 27.666 ( 0.000 4.497 10.769) 11.671 28.267 ( 0.000 -10.489 6.730) 12.463 28.267 ( 0.000 10.489 6.730) 12.463 30.202 ( 0.000 -16.599 -3.886) 17.048 30.202 ( 0.000 16.599 -3.886) 17.048 32.496 ( 0.000 -7.592 -7.100) 10.394 32.496 ( 0.000 7.592 -7.100) 10.394 ======================= Grid point 72 (30/80) ======================= q-point: ( 0.17 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( 9.551 -25.536 21.095) 34.471 3.658 ( 9.551 25.536 21.095) 34.471 3.855 ( 10.742 -28.722 12.730) 33.202 3.855 ( 10.742 28.722 12.730) 33.202 4.601 ( -2.840 -29.304 -4.146) 29.732 4.601 ( -2.840 29.304 -4.146) 29.732 5.197 ( -4.539 -11.625 3.181) 12.878 5.197 ( -4.539 11.625 3.181) 12.878 5.794 ( -6.411 -13.708 15.741) 21.836 5.794 ( -6.411 13.708 15.741) 21.836 5.977 ( 2.944 -3.258 0.822) 4.467 5.977 ( 2.944 3.258 0.822) 4.467 6.127 ( 7.810 -21.332 13.579) 26.466 6.127 ( 7.810 21.332 13.579) 26.466 6.481 ( -5.914 -14.891 17.938) 24.052 6.481 ( -5.914 14.891 17.938) 24.052 7.096 ( 8.297 -5.654 -0.923) 10.083 7.096 ( 8.297 5.654 -0.923) 10.083 8.019 ( 2.836 -12.598 18.111) 22.243 8.019 ( 2.836 12.598 18.111) 22.243 8.500 ( 5.999 -1.922 -0.337) 6.308 8.500 ( 5.999 1.922 -0.337) 6.308 8.761 ( -10.232 -7.990 -0.613) 12.997 8.761 ( -10.232 7.990 -0.613) 12.997 9.381 ( 6.004 -6.233 -5.255) 10.125 9.381 ( 6.004 6.233 -5.255) 10.125 9.728 ( -11.380 -13.398 7.859) 19.256 9.728 ( -11.380 13.398 7.859) 19.256 10.097 ( 3.525 -5.042 -2.757) 6.742 10.097 ( 3.525 5.042 -2.757) 6.742 10.414 ( -2.456 -9.739 -5.118) 11.272 10.414 ( -2.456 9.739 -5.118) 11.272 10.746 ( 6.333 -4.636 -11.283) 13.744 10.746 ( 6.333 4.636 -11.283) 13.744 11.079 ( -8.680 -5.474 -4.449) 11.185 11.079 ( -8.680 5.474 -4.449) 11.185 11.446 ( -5.941 -6.416 8.710) 12.342 11.446 ( -5.941 6.416 8.710) 12.342 11.665 ( -1.381 -1.710 -4.279) 4.811 11.665 ( -1.381 1.710 -4.279) 4.811 11.984 ( 0.008 -4.423 11.614) 12.428 11.984 ( 0.008 4.423 11.614) 12.428 12.564 ( -1.748 -8.152 -14.729) 16.925 12.564 ( -1.748 8.152 -14.729) 16.925 13.073 ( 2.321 -6.379 -0.482) 6.805 13.073 ( 2.321 6.379 -0.482) 6.805 13.615 ( -14.152 -20.758 7.867) 26.326 13.615 ( -14.152 20.758 7.867) 26.326 14.365 ( -1.874 -3.464 19.886) 20.272 14.365 ( -1.874 3.464 19.886) 20.272 15.223 ( 15.197 -5.155 -1.391) 16.108 15.223 ( 15.197 5.155 -1.391) 16.108 15.501 ( 5.420 -14.708 -4.269) 16.245 15.501 ( 5.420 14.708 -4.269) 16.245 16.594 ( 2.119 -8.309 -19.774) 21.553 16.594 ( 2.119 8.309 -19.774) 21.553 16.860 ( 5.451 -2.896 -6.346) 8.853 16.860 ( 5.451 2.896 -6.346) 8.853 17.337 ( -0.733 -10.693 9.482) 14.310 17.337 ( -0.733 10.693 9.482) 14.310 17.596 ( 0.117 -10.492 2.837) 10.869 17.596 ( 0.117 10.492 2.837) 10.869 18.038 ( -5.139 -3.631 -14.126) 15.464 18.038 ( -5.139 3.631 -14.126) 15.464 18.357 ( -0.664 -4.389 -16.435) 17.024 18.357 ( -0.664 4.389 -16.435) 17.024 18.747 ( 2.505 -5.172 -6.407) 8.607 18.747 ( 2.505 5.172 -6.407) 8.607 19.121 ( 6.042 -11.785 8.038) 15.492 19.121 ( 6.042 11.785 8.038) 15.492 20.107 ( -3.481 -6.265 17.814) 19.202 20.107 ( -3.481 6.265 17.814) 19.202 20.607 ( -7.831 -3.466 1.047) 8.627 20.607 ( -7.831 3.466 1.047) 8.627 21.970 ( 3.440 -10.792 -1.804) 11.470 21.970 ( 3.440 10.792 -1.804) 11.470 22.799 ( -1.399 -0.629 -13.801) 13.886 22.799 ( -1.399 0.629 -13.801) 13.886 24.317 ( 3.253 -0.665 -1.175) 3.522 24.317 ( 3.253 0.665 -1.175) 3.522 25.518 ( 3.687 -4.503 -1.038) 5.912 25.518 ( 3.687 4.503 -1.038) 5.912 27.062 ( 0.626 -4.006 -4.416) 5.995 27.062 ( 0.626 4.006 -4.416) 5.995 27.260 ( 2.319 -1.045 -4.274) 4.973 27.260 ( 2.319 1.045 -4.274) 4.973 27.625 ( -1.851 -1.909 9.390) 9.759 27.625 ( -1.851 1.909 9.390) 9.759 27.666 ( -0.747 -1.749 8.494) 8.704 27.666 ( -0.747 1.749 8.494) 8.704 28.227 ( -2.967 -12.105 9.398) 15.609 28.227 ( -2.967 12.105 9.398) 15.609 30.146 ( -4.685 -14.273 -2.883) 15.297 30.146 ( -4.685 14.273 -2.883) 15.297 32.484 ( -0.953 -8.670 -6.009) 10.592 32.484 ( -0.953 8.670 -6.009) 10.592 ======================= Grid point 74 (31/80) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( 13.453 -23.390 26.804) 38.034 3.920 ( 13.453 23.390 26.804) 38.034 4.143 ( 13.990 -36.106 6.562) 39.274 4.143 ( 13.990 36.106 6.562) 39.274 4.549 ( -2.321 -23.212 -9.364) 25.137 4.549 ( -2.321 23.212 -9.364) 25.137 5.049 ( -6.324 -24.021 9.072) 26.444 5.049 ( -6.324 24.021 9.072) 26.444 5.540 ( -16.418 -15.721 21.765) 31.471 5.540 ( -16.418 15.721 21.765) 31.471 5.950 ( -2.357 -8.068 -1.185) 8.488 5.950 ( -2.357 8.068 -1.185) 8.488 6.379 ( -2.179 -8.598 12.447) 15.284 6.379 ( -2.179 8.598 12.447) 15.284 6.515 ( 22.270 -36.411 10.996) 44.076 6.515 ( 22.270 36.411 10.996) 44.076 7.245 ( 3.046 -3.396 -1.143) 4.703 7.245 ( 3.046 3.396 -1.143) 4.703 8.074 ( 2.005 -7.424 16.765) 18.445 8.074 ( 2.005 7.424 16.765) 18.445 8.497 ( -9.930 -11.223 1.491) 15.059 8.497 ( -9.930 11.223 1.491) 15.059 8.698 ( 7.280 -5.221 2.870) 9.407 8.698 ( 7.280 5.221 2.870) 9.407 9.347 ( -9.891 -8.684 1.151) 13.212 9.347 ( -9.891 8.684 1.151) 13.212 9.614 ( 5.025 -7.076 -0.020) 8.679 9.614 ( 5.025 7.076 -0.020) 8.679 10.040 ( -9.653 -6.999 -1.321) 11.996 10.040 ( -9.653 6.999 -1.321) 11.996 10.392 ( -0.144 -9.498 -1.829) 9.673 10.392 ( -0.144 9.498 -1.829) 9.673 10.908 ( 7.172 -11.506 -9.527) 16.570 10.908 ( 7.172 11.506 -9.527) 16.570 10.983 ( 2.560 -8.190 -3.012) 9.094 10.983 ( 2.560 8.190 -3.012) 9.094 11.333 ( -3.944 -5.769 3.616) 7.869 11.333 ( -3.944 5.769 3.616) 7.869 11.542 ( -10.852 -9.030 -11.781) 18.387 11.542 ( -10.852 9.030 -11.781) 18.387 12.006 ( 3.481 -1.946 5.306) 6.638 12.006 ( 3.481 1.946 5.306) 6.638 12.521 ( -2.760 -3.351 -7.503) 8.668 12.521 ( -2.760 3.351 -7.503) 8.668 13.066 ( -3.061 -4.315 8.919) 10.369 13.066 ( -3.061 4.315 8.919) 10.369 13.399 ( -4.684 -12.633 7.365) 15.355 13.399 ( -4.684 12.633 7.365) 15.355 14.357 ( 0.334 -1.026 18.276) 18.308 14.357 ( 0.334 1.026 18.276) 18.308 15.447 ( 6.346 -0.763 -5.742) 8.592 15.447 ( 6.346 0.763 -5.742) 8.592 15.647 ( 6.295 -9.227 0.117) 11.170 15.647 ( 6.295 9.227 0.117) 11.170 16.643 ( 2.208 -6.170 -16.808) 18.040 16.643 ( 2.208 6.170 -16.808) 18.040 16.977 ( 4.587 -1.091 -13.583) 14.378 16.977 ( 4.587 1.091 -13.583) 14.378 17.309 ( -2.692 -8.990 -1.027) 9.440 17.309 ( -2.692 8.990 -1.027) 9.440 17.568 ( -1.497 -6.318 -0.822) 6.545 17.568 ( -1.497 6.318 -0.822) 6.545 18.003 ( 2.431 -1.052 -7.906) 8.338 18.003 ( 2.431 1.052 -7.906) 8.338 18.274 ( -6.563 -2.251 -6.699) 9.645 18.274 ( -6.563 2.251 -6.699) 9.645 18.883 ( 9.074 -6.648 -4.762) 12.215 18.883 ( 9.074 6.648 -4.762) 12.215 19.222 ( 2.036 -5.664 5.486) 8.144 19.222 ( 2.036 5.664 5.486) 8.144 20.030 ( -2.686 -2.999 18.732) 19.160 20.030 ( -2.686 2.999 18.732) 19.160 20.442 ( -6.591 -3.161 1.067) 7.387 20.442 ( -6.591 3.161 1.067) 7.387 22.054 ( 4.083 -8.186 -1.079) 9.211 22.054 ( 4.083 8.186 -1.079) 9.211 22.731 ( -4.453 -4.364 -10.898) 12.556 22.731 ( -4.453 4.364 -10.898) 12.556 24.372 ( 1.434 -0.652 -1.163) 1.958 24.372 ( 1.434 0.652 -1.163) 1.958 25.646 ( 7.190 -4.432 -5.913) 10.310 25.646 ( 7.190 4.432 -5.913) 10.310 27.030 ( -3.040 -0.475 -1.190) 3.299 27.030 ( -3.040 0.475 -1.190) 3.299 27.346 ( 4.892 -1.536 -7.196) 8.836 27.346 ( 4.892 1.536 -7.196) 8.836 27.571 ( -3.317 -1.750 3.304) 4.998 27.571 ( -3.317 1.750 3.304) 4.998 27.636 ( -1.478 -1.065 6.591) 6.838 27.636 ( -1.478 1.065 6.591) 6.838 28.179 ( -1.081 -8.659 15.448) 17.743 28.179 ( -1.081 8.659 15.448) 17.743 30.040 ( -4.348 -8.304 -1.076) 9.435 30.040 ( -4.348 8.304 -1.076) 9.435 32.464 ( -0.721 -6.265 -4.222) 7.589 32.464 ( -0.721 6.265 -4.222) 7.589 ======================= Grid point 76 (32/80) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.108 ( 0.000 -0.000 33.050) 33.050 4.108 ( 0.000 0.000 33.050) 33.050 4.347 ( 0.000 -0.000 -14.391) 14.391 4.347 ( 0.000 0.000 -14.391) 14.391 4.466 ( -0.000 -0.000 4.550) 4.550 4.466 ( -0.000 0.000 4.550) 4.550 5.054 ( -0.000 -0.000 9.896) 9.896 5.054 ( -0.000 0.000 9.896) 9.896 5.248 ( -0.000 -0.000 22.648) 22.648 5.248 ( -0.000 0.000 22.648) 22.648 5.923 ( 0.000 0.000 -1.346) 1.346 5.923 ( 0.000 0.000 -1.346) 1.346 6.353 ( -0.000 -0.000 11.145) 11.145 6.353 ( 0.000 0.000 11.145) 11.145 6.866 ( 0.000 -0.000 2.150) 2.150 6.866 ( 0.000 0.000 2.150) 2.150 7.207 ( -0.000 0.000 8.169) 8.169 7.207 ( 0.000 0.000 8.169) 8.169 8.101 ( -0.000 0.000 17.167) 17.167 8.101 ( -0.000 0.000 17.167) 17.167 8.359 ( 0.000 -0.000 0.691) 0.691 8.359 ( 0.000 -0.000 0.691) 0.691 8.785 ( 0.000 0.000 6.244) 6.244 8.785 ( 0.000 0.000 6.244) 6.244 9.246 ( -0.000 -0.000 -3.002) 3.002 9.246 ( 0.000 0.000 -3.002) 3.002 9.732 ( 0.000 0.000 0.129) 0.129 9.732 ( 0.000 0.000 0.129) 0.129 9.843 ( -0.000 0.000 -0.698) 0.698 9.843 ( 0.000 0.000 -0.698) 0.698 10.382 ( -0.000 -0.000 2.748) 2.748 10.382 ( -0.000 0.000 2.748) 2.748 10.970 ( 0.000 -0.000 -5.183) 5.183 10.970 ( 0.000 0.000 -5.183) 5.183 11.160 ( 0.000 0.000 -8.850) 8.850 11.160 ( 0.000 0.000 -8.850) 8.850 11.289 ( 0.000 -0.000 -10.641) 10.641 11.289 ( 0.000 0.000 -10.641) 10.641 11.300 ( -0.000 -0.000 -1.156) 1.156 11.300 ( -0.000 0.000 -1.156) 1.156 12.084 ( 0.000 0.000 0.235) 0.235 12.084 ( 0.000 0.000 0.235) 0.235 12.458 ( -0.000 0.000 -1.819) 1.819 12.458 ( 0.000 0.000 -1.819) 1.819 13.028 ( 0.000 0.000 10.496) 10.496 13.028 ( 0.000 0.000 10.496) 10.496 13.358 ( 0.000 0.000 6.966) 6.966 13.358 ( 0.000 0.000 6.966) 6.966 14.362 ( -0.000 0.000 17.951) 17.951 14.362 ( 0.000 0.000 17.951) 17.951 15.517 ( 0.000 -0.000 -6.737) 6.737 15.517 ( 0.000 0.000 -6.737) 6.737 15.717 ( 0.000 -0.000 1.585) 1.585 15.717 ( 0.000 0.000 1.585) 1.585 16.671 ( 0.000 0.000 -14.515) 14.515 16.671 ( 0.000 0.000 -14.515) 14.515 17.034 ( 0.000 0.000 -20.893) 20.893 17.034 ( 0.000 0.000 -20.893) 20.893 17.253 ( 0.000 0.000 -4.857) 4.857 17.253 ( 0.000 0.000 -4.857) 4.857 17.560 ( 0.000 0.000 -0.155) 0.155 17.560 ( 0.000 0.000 -0.155) 0.155 18.093 ( 0.000 -0.000 -12.123) 12.123 18.093 ( 0.000 0.000 -12.123) 12.123 18.139 ( -0.000 0.000 5.063) 5.063 18.139 ( 0.000 0.000 5.063) 5.063 19.024 ( 0.000 -0.000 -2.052) 2.052 19.024 ( 0.000 0.000 -2.052) 2.052 19.214 ( -0.000 -0.000 0.607) 0.607 19.214 ( 0.000 0.000 0.607) 0.607 20.007 ( 0.000 0.000 20.312) 20.312 20.007 ( 0.000 0.000 20.312) 20.312 20.362 ( 0.000 -0.000 1.135) 1.135 20.362 ( 0.000 0.000 1.135) 1.135 22.109 ( 0.000 0.000 -0.394) 0.394 22.109 ( 0.000 0.000 -0.394) 0.394 22.667 ( 0.000 -0.000 -10.050) 10.050 22.667 ( 0.000 0.000 -10.050) 10.050 24.384 ( 0.000 0.000 -0.805) 0.805 24.384 ( 0.000 0.000 -0.805) 0.805 25.741 ( 0.000 0.000 -8.490) 8.490 25.741 ( 0.000 0.000 -8.490) 8.490 26.985 ( 0.000 0.000 -0.557) 0.557 26.985 ( 0.000 0.000 -0.557) 0.557 27.420 ( -0.000 0.000 -7.452) 7.452 27.420 ( 0.000 0.000 -7.452) 7.452 27.514 ( 0.000 0.000 -0.880) 0.880 27.514 ( 0.000 0.000 -0.880) 0.880 27.619 ( 0.000 0.000 7.198) 7.198 27.619 ( 0.000 0.000 7.198) 7.198 28.171 ( 0.000 -0.000 18.073) 18.073 28.171 ( 0.000 0.000 18.073) 18.073 29.989 ( 0.000 -0.000 -0.261) 0.261 29.989 ( 0.000 0.000 -0.261) 0.261 32.456 ( 0.000 0.000 -3.481) 3.481 32.456 ( 0.000 0.000 -3.481) 3.481 ======================= Grid point 98 (33/80) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.000 0.000 45.307) 45.307 2.063 ( 0.000 0.000 51.798) 51.798 2.928 ( 0.000 0.000 15.680) 15.680 3.736 ( 0.000 0.000 67.793) 67.793 5.157 ( 0.000 0.000 49.089) 49.089 5.405 ( 0.000 0.000 -11.013) 11.013 5.414 ( 0.000 0.000 -5.147) 5.147 5.693 ( 0.000 0.000 0.688) 0.688 5.833 ( 0.000 0.000 -1.028) 1.028 6.055 ( 0.000 0.000 -9.590) 9.590 6.601 ( 0.000 0.000 0.271) 0.271 6.806 ( 0.000 0.000 4.939) 4.939 6.826 ( 0.000 0.000 20.447) 20.447 7.218 ( 0.000 0.000 39.004) 39.004 7.296 ( 0.000 0.000 6.721) 6.721 7.361 ( 0.000 0.000 33.009) 33.009 7.674 ( 0.000 0.000 13.966) 13.966 7.738 ( 0.000 0.000 3.684) 3.684 7.885 ( 0.000 0.000 -4.785) 4.785 8.121 ( 0.000 0.000 -26.523) 26.523 8.430 ( 0.000 0.000 2.258) 2.258 8.435 ( 0.000 0.000 1.946) 1.946 8.583 ( 0.000 0.000 2.244) 2.244 8.749 ( 0.000 0.000 4.367) 4.367 8.934 ( 0.000 0.000 9.550) 9.550 9.351 ( 0.000 0.000 22.667) 22.667 9.514 ( 0.000 0.000 3.614) 3.614 9.923 ( 0.000 0.000 1.203) 1.203 10.100 ( 0.000 0.000 -5.363) 5.363 10.185 ( 0.000 0.000 -4.719) 4.719 10.234 ( 0.000 0.000 1.512) 1.512 10.456 ( 0.000 0.000 13.538) 13.538 10.708 ( 0.000 0.000 -1.049) 1.049 10.871 ( 0.000 0.000 -6.321) 6.321 10.995 ( 0.000 0.000 -5.693) 5.693 11.148 ( 0.000 0.000 12.853) 12.853 11.229 ( 0.000 0.000 -11.065) 11.065 11.249 ( 0.000 0.000 -13.622) 13.622 11.468 ( 0.000 0.000 10.329) 10.329 11.575 ( 0.000 0.000 5.474) 5.474 11.779 ( 0.000 0.000 -11.731) 11.731 11.845 ( 0.000 0.000 -0.192) 0.192 12.682 ( 0.000 0.000 -5.754) 5.754 12.754 ( 0.000 0.000 16.617) 16.617 12.946 ( 0.000 0.000 -21.341) 21.341 13.170 ( 0.000 0.000 -0.796) 0.796 13.370 ( 0.000 0.000 38.111) 38.111 13.708 ( 0.000 0.000 -9.912) 9.912 14.544 ( 0.000 0.000 -8.555) 8.555 14.771 ( 0.000 0.000 30.607) 30.607 15.042 ( 0.000 0.000 23.079) 23.079 15.118 ( 0.000 0.000 -12.779) 12.779 15.159 ( 0.000 0.000 2.767) 2.767 15.954 ( 0.000 0.000 -12.550) 12.550 16.094 ( 0.000 0.000 10.439) 10.439 16.118 ( 0.000 0.000 -8.145) 8.145 16.459 ( 0.000 0.000 -0.269) 0.269 16.575 ( 0.000 0.000 -5.955) 5.955 17.156 ( 0.000 0.000 -27.309) 27.309 17.167 ( 0.000 0.000 -13.096) 13.096 17.601 ( 0.000 0.000 -16.799) 16.799 17.653 ( 0.000 0.000 -35.374) 35.374 18.046 ( 0.000 0.000 6.431) 6.431 18.071 ( 0.000 0.000 -5.461) 5.461 18.228 ( 0.000 0.000 -15.986) 15.986 18.312 ( 0.000 0.000 15.985) 15.985 18.625 ( 0.000 0.000 -4.150) 4.150 18.697 ( 0.000 0.000 -23.186) 23.186 19.161 ( 0.000 0.000 2.012) 2.012 19.449 ( 0.000 0.000 -6.184) 6.184 19.513 ( 0.000 0.000 -0.899) 0.899 20.709 ( 0.000 0.000 9.269) 9.269 20.807 ( 0.000 0.000 15.225) 15.225 21.058 ( 0.000 0.000 -13.196) 13.196 21.345 ( 0.000 0.000 19.906) 19.906 21.565 ( 0.000 0.000 17.005) 17.005 22.345 ( 0.000 0.000 -13.554) 13.554 22.736 ( 0.000 0.000 -19.511) 19.511 24.517 ( 0.000 0.000 0.534) 0.534 24.571 ( 0.000 0.000 -0.127) 0.127 25.185 ( 0.000 0.000 0.223) 0.223 25.392 ( 0.000 0.000 -3.011) 3.011 26.841 ( 0.000 0.000 3.266) 3.266 26.954 ( 0.000 0.000 -0.686) 0.686 27.067 ( 0.000 0.000 -1.145) 1.145 27.092 ( 0.000 0.000 -8.214) 8.214 27.736 ( 0.000 0.000 8.069) 8.069 27.769 ( 0.000 0.000 2.354) 2.354 27.793 ( 0.000 0.000 4.083) 4.083 28.087 ( 0.000 0.000 7.767) 7.767 28.581 ( 0.000 0.000 7.840) 7.840 28.744 ( 0.000 0.000 5.609) 5.609 29.802 ( 0.000 0.000 3.746) 3.746 30.939 ( 0.000 0.000 -9.911) 9.911 31.682 ( 0.000 0.000 7.066) 7.066 32.543 ( 0.000 0.000 -8.030) 8.030 ======================= Grid point 99 (34/80) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 24.858 0.000 37.408) 44.914 2.361 ( 25.738 0.000 42.819) 49.959 2.991 ( 5.651 0.000 17.546) 18.433 3.895 ( 11.604 0.000 47.321) 48.723 5.122 ( 3.141 0.000 60.498) 60.580 5.377 ( -8.211 0.000 -10.625) 13.428 5.388 ( -6.178 0.000 2.964) 6.852 5.699 ( -4.049 0.000 4.820) 6.295 5.731 ( -5.584 0.000 -5.236) 7.655 6.085 ( 8.383 0.000 -6.545) 10.635 6.652 ( 2.385 0.000 -5.772) 6.246 6.827 ( -15.500 0.000 25.287) 29.659 6.836 ( 0.766 0.000 20.114) 20.129 6.879 ( -0.084 0.000 9.543) 9.543 7.175 ( -11.691 0.000 2.929) 12.053 7.433 ( -6.014 0.000 28.344) 28.975 7.608 ( -2.133 0.000 10.313) 10.532 7.651 ( 3.231 0.000 13.651) 14.028 7.970 ( 5.382 0.000 -13.360) 14.404 8.191 ( 2.310 0.000 5.715) 6.164 8.574 ( 6.510 0.000 -1.111) 6.605 8.617 ( 7.715 0.000 4.811) 9.092 8.651 ( -1.930 0.000 -6.276) 6.566 8.837 ( 9.266 0.000 13.794) 16.617 9.062 ( 15.746 0.000 0.407) 15.752 9.427 ( -7.144 0.000 4.485) 8.435 9.430 ( 8.904 0.000 16.158) 18.449 9.869 ( -3.331 0.000 -2.332) 4.066 9.980 ( -7.525 0.000 -5.966) 9.603 10.147 ( -4.758 0.000 5.085) 6.964 10.323 ( 3.783 0.000 -4.074) 5.559 10.445 ( 2.052 0.000 2.785) 3.460 10.509 ( -13.279 0.000 -1.708) 13.389 10.821 ( -2.756 0.000 -0.852) 2.884 10.892 ( -7.905 0.000 -2.297) 8.232 11.000 ( -8.772 0.000 -5.088) 10.141 11.235 ( 0.159 0.000 -8.769) 8.771 11.380 ( -0.835 0.000 2.559) 2.692 11.439 ( 10.168 0.000 -0.218) 10.170 11.914 ( 6.394 0.000 -3.944) 7.513 11.950 ( 24.223 0.000 10.588) 26.436 11.999 ( 13.883 0.000 -11.369) 17.944 12.457 ( -11.656 0.000 -1.345) 11.733 12.835 ( -8.605 0.000 -11.952) 14.727 12.853 ( -0.670 0.000 4.921) 4.966 13.255 ( 6.666 0.000 -9.135) 11.309 13.437 ( 3.605 0.000 31.637) 31.841 13.770 ( 3.444 0.000 -11.862) 12.352 14.491 ( -2.463 0.000 -10.391) 10.679 14.758 ( -1.223 0.000 29.280) 29.306 14.939 ( -4.555 0.000 17.392) 17.979 14.957 ( -9.423 0.000 0.443) 9.434 15.295 ( 11.366 0.000 -5.102) 12.458 15.832 ( -7.607 0.000 8.542) 11.438 15.914 ( -12.514 0.000 -6.910) 14.295 16.467 ( 19.465 0.000 -19.245) 27.373 16.657 ( 11.132 0.000 -2.732) 11.463 16.672 ( 11.112 0.000 -2.219) 11.332 16.925 ( -18.315 0.000 -23.042) 29.434 17.142 ( -1.698 0.000 -15.659) 15.750 17.581 ( -0.453 0.000 -14.051) 14.059 17.641 ( -0.427 0.000 -28.438) 28.441 18.135 ( 7.439 0.000 5.427) 9.208 18.194 ( 7.522 0.000 -7.116) 10.354 18.270 ( 4.193 0.000 -12.658) 13.335 18.357 ( 4.239 0.000 14.373) 14.985 18.633 ( 0.743 0.000 -3.548) 3.625 18.685 ( -1.217 0.000 -21.419) 21.453 19.176 ( 1.088 0.000 1.213) 1.630 19.357 ( -8.998 0.000 0.379) 9.006 19.428 ( -7.724 0.000 0.913) 7.778 20.059 ( -35.732 0.000 20.276) 41.084 20.821 ( 0.975 0.000 14.313) 14.346 21.085 ( -4.603 0.000 2.155) 5.082 21.364 ( 2.227 0.000 16.979) 17.124 21.701 ( 6.357 0.000 0.770) 6.403 22.466 ( 7.957 0.000 -16.603) 18.411 22.751 ( 1.139 0.000 -19.547) 19.580 24.506 ( -0.510 0.000 0.097) 0.519 24.552 ( -1.510 0.000 -0.321) 1.544 25.450 ( 5.142 0.000 -2.651) 5.785 25.486 ( 20.343 0.000 -10.522) 22.903 26.822 ( -1.839 0.000 3.318) 3.794 26.903 ( -3.251 0.000 -1.706) 3.672 27.122 ( 4.574 0.000 -1.683) 4.873 27.157 ( 4.293 0.000 -6.231) 7.567 27.614 ( -10.198 0.000 0.868) 10.235 27.694 ( -4.038 0.000 6.390) 7.559 27.818 ( 1.048 0.000 5.534) 5.632 28.012 ( -4.811 0.000 6.533) 8.113 28.706 ( 9.835 0.000 8.982) 13.319 28.845 ( 7.741 0.000 6.087) 9.848 29.776 ( -2.232 0.000 4.366) 4.904 30.658 ( -22.519 0.000 1.049) 22.544 31.746 ( 6.287 0.000 5.666) 8.463 32.492 ( -4.635 0.000 -7.234) 8.591 ======================= Grid point 100 (35/80) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 26.261 0.000 26.217) 37.107 2.996 ( 22.993 0.000 23.871) 33.143 3.202 ( 21.388 0.000 24.395) 32.443 4.067 ( 4.350 0.000 20.447) 20.904 4.883 ( -32.459 0.000 2.195) 32.533 5.010 ( -26.127 0.000 13.468) 29.394 5.496 ( 30.589 0.000 70.876) 77.195 5.717 ( 4.952 0.000 3.270) 5.934 5.748 ( 5.052 0.000 -6.711) 8.401 6.245 ( 0.902 0.000 -7.469) 7.523 6.355 ( -16.620 0.000 -2.985) 16.886 6.730 ( -5.952 0.000 22.995) 23.753 6.844 ( 2.817 0.000 27.485) 27.629 7.042 ( 2.299 0.000 -5.848) 6.284 7.046 ( 10.252 0.000 5.528) 11.648 7.166 ( -12.635 0.000 25.586) 28.536 7.608 ( -1.811 0.000 11.486) 11.628 7.696 ( -7.506 0.000 12.743) 14.790 8.111 ( -2.467 0.000 14.070) 14.285 8.122 ( 8.921 0.000 -18.131) 20.207 8.514 ( -3.334 0.000 13.218) 13.632 8.525 ( -8.873 0.000 11.926) 14.865 8.899 ( 0.347 0.000 20.526) 20.529 8.921 ( 11.224 0.000 -6.934) 13.193 9.258 ( -6.379 0.000 8.428) 10.570 9.433 ( 12.456 0.000 -3.775) 13.015 9.714 ( 8.683 0.000 7.847) 11.704 9.827 ( -0.725 0.000 -7.753) 7.787 9.856 ( 1.796 0.000 -16.341) 16.439 10.052 ( -3.121 0.000 4.031) 5.098 10.216 ( -6.404 0.000 1.439) 6.564 10.420 ( 2.238 0.000 -9.454) 9.715 10.579 ( 7.058 0.000 -7.873) 10.574 10.675 ( -9.827 0.000 -7.035) 12.085 10.783 ( -9.756 0.000 1.957) 9.950 10.845 ( 4.966 0.000 3.238) 5.929 11.186 ( -5.555 0.000 -3.440) 6.534 11.313 ( -8.814 0.000 0.129) 8.815 11.704 ( 15.534 0.000 -0.390) 15.539 12.087 ( 8.725 0.000 -7.230) 11.331 12.161 ( -0.349 0.000 2.957) 2.978 12.289 ( 0.208 0.000 -13.494) 13.496 12.515 ( 23.324 0.000 9.493) 25.182 12.638 ( -9.010 0.000 -8.213) 12.191 12.710 ( -9.770 0.000 3.730) 10.458 13.368 ( 4.743 0.000 -15.515) 16.224 13.404 ( -8.503 0.000 30.931) 32.078 13.723 ( -8.376 0.000 -17.033) 18.981 14.558 ( 7.814 0.000 -0.088) 7.814 14.727 ( -1.670 0.000 28.440) 28.489 14.906 ( 2.884 0.000 9.519) 9.946 14.944 ( 6.484 0.000 -10.298) 12.169 15.552 ( 8.386 0.000 -11.318) 14.086 15.635 ( -10.143 0.000 8.857) 13.466 15.692 ( -3.449 0.000 -1.447) 3.740 16.457 ( -22.996 0.000 -21.463) 31.456 16.696 ( 6.574 0.000 -14.002) 15.469 16.811 ( 2.913 0.000 -6.952) 7.538 16.998 ( 10.019 0.000 -20.569) 22.879 17.114 ( -0.898 0.000 -23.821) 23.838 17.659 ( 7.451 0.000 -3.992) 8.453 17.664 ( 2.781 0.000 -9.777) 10.165 18.298 ( 4.149 0.000 -6.659) 7.846 18.322 ( 9.043 0.000 4.817) 10.246 18.392 ( 5.764 0.000 -0.567) 5.792 18.465 ( 4.187 0.000 3.058) 5.185 18.648 ( -0.295 0.000 -2.781) 2.797 18.654 ( -1.242 0.000 -10.210) 10.285 19.098 ( -11.460 0.000 17.401) 20.836 19.143 ( -8.816 0.000 7.310) 11.452 19.261 ( -1.941 0.000 -3.715) 4.192 19.531 ( -14.877 0.000 3.945) 15.391 20.835 ( 0.426 0.000 13.960) 13.967 20.954 ( -6.049 0.000 10.133) 11.802 21.459 ( 6.715 0.000 9.172) 11.367 21.741 ( -2.494 0.000 -3.090) 3.971 22.621 ( 6.414 0.000 -17.706) 18.832 22.767 ( -0.070 0.000 -19.494) 19.494 24.501 ( -0.001 0.000 -0.561) 0.561 24.521 ( -1.189 0.000 -0.634) 1.347 25.594 ( 7.939 0.000 -2.317) 8.270 25.790 ( 5.903 0.000 -11.600) 13.015 26.774 ( -1.717 0.000 1.154) 2.068 26.837 ( -2.926 0.000 -1.786) 3.427 27.223 ( 3.729 0.000 -2.825) 4.678 27.234 ( 2.508 0.000 -4.456) 5.114 27.451 ( -3.431 0.000 -0.545) 3.475 27.576 ( -6.136 0.000 1.709) 6.370 27.847 ( 1.732 0.000 6.649) 6.871 27.934 ( -2.551 0.000 7.006) 7.456 28.938 ( 10.567 0.000 8.463) 13.538 29.012 ( 6.823 0.000 5.695) 8.888 29.728 ( -1.327 0.000 6.889) 7.016 30.154 ( -21.925 0.000 11.016) 24.537 31.931 ( 10.188 0.000 1.857) 10.356 32.353 ( -8.161 0.000 -5.047) 9.595 ======================= Grid point 101 (36/80) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -4.453 0.000 20.395) 20.876 3.135 ( 4.453 0.000 20.395) 20.876 3.923 ( -31.820 0.000 19.013) 37.068 3.923 ( 31.820 0.000 19.013) 37.068 4.487 ( -14.127 0.000 13.031) 19.219 4.487 ( 14.127 0.000 13.031) 19.219 5.817 ( -1.568 0.000 2.300) 2.784 5.817 ( 1.568 0.000 2.300) 2.784 6.132 ( -8.235 0.000 -3.730) 9.040 6.132 ( 8.235 0.000 -3.730) 9.040 6.292 ( -25.522 0.000 47.815) 54.200 6.292 ( 25.522 0.000 47.815) 54.200 6.981 ( -5.853 0.000 31.289) 31.832 6.981 ( 5.853 0.000 31.289) 31.832 7.184 ( -6.930 0.000 -6.235) 9.322 7.184 ( 6.930 0.000 -6.235) 9.322 7.505 ( -2.992 0.000 2.569) 3.944 7.505 ( 2.992 0.000 2.569) 3.944 8.208 ( -5.121 0.000 6.516) 8.288 8.208 ( 5.121 0.000 6.516) 8.288 8.424 ( -3.616 0.000 8.874) 9.582 8.424 ( 3.616 0.000 8.874) 9.582 8.938 ( -4.511 0.000 10.414) 11.349 8.938 ( 4.511 0.000 10.414) 11.349 9.385 ( -13.341 0.000 6.324) 14.764 9.385 ( 13.341 0.000 6.324) 14.764 9.783 ( -4.497 0.000 -4.024) 6.035 9.783 ( 4.497 0.000 -4.024) 6.035 9.987 ( -3.442 0.000 -14.192) 14.603 9.987 ( 3.442 0.000 -14.192) 14.603 10.350 ( -14.331 0.000 1.399) 14.399 10.350 ( 14.331 0.000 1.399) 14.399 10.526 ( -8.597 0.000 -11.162) 14.089 10.526 ( 8.597 0.000 -11.162) 14.089 10.937 ( -7.955 0.000 7.061) 10.637 10.937 ( 7.955 0.000 7.061) 10.637 11.057 ( -1.682 0.000 -4.578) 4.877 11.057 ( 1.682 0.000 -4.578) 4.877 12.041 ( -12.457 0.000 0.274) 12.460 12.041 ( 12.457 0.000 0.274) 12.460 12.254 ( -6.080 0.000 -4.234) 7.409 12.254 ( 6.080 0.000 -4.234) 7.409 12.503 ( -0.679 0.000 -13.011) 13.029 12.503 ( 0.679 0.000 -13.011) 13.029 13.063 ( -21.946 0.000 25.333) 33.517 13.063 ( 21.946 0.000 25.333) 33.517 13.516 ( -9.097 0.000 -15.814) 18.244 13.516 ( 9.097 0.000 -15.814) 18.244 14.680 ( -3.104 0.000 22.987) 23.195 14.680 ( 3.104 0.000 22.987) 23.195 15.031 ( -3.231 0.000 -12.126) 12.550 15.031 ( 3.231 0.000 -12.126) 12.550 15.491 ( -0.477 0.000 -0.383) 0.612 15.491 ( 0.477 0.000 -0.383) 0.612 15.984 ( -20.195 0.000 -10.832) 22.917 15.984 ( 20.195 0.000 -10.832) 22.917 16.803 ( -3.127 0.000 -10.956) 11.393 16.803 ( 3.127 0.000 -10.956) 11.393 17.093 ( -1.486 0.000 -28.874) 28.912 17.093 ( 1.486 0.000 -28.874) 28.912 17.732 ( -1.877 0.000 1.178) 2.216 17.732 ( 1.877 0.000 1.178) 2.216 18.409 ( -3.328 0.000 -4.845) 5.878 18.409 ( 3.328 0.000 -4.845) 5.878 18.523 ( -1.639 0.000 0.698) 1.781 18.523 ( 1.639 0.000 0.698) 1.781 18.599 ( -0.959 0.000 2.978) 3.128 18.599 ( 0.959 0.000 2.978) 3.128 18.983 ( -0.953 0.000 13.254) 13.288 18.983 ( 0.953 0.000 13.254) 13.288 19.317 ( -5.970 0.000 -5.505) 8.121 19.317 ( 5.970 0.000 -5.505) 8.121 20.860 ( -2.538 0.000 13.346) 13.586 20.860 ( 2.538 0.000 13.346) 13.586 21.623 ( -7.592 0.000 1.272) 7.697 21.623 ( 7.592 0.000 1.272) 7.697 22.731 ( -3.527 0.000 -18.844) 19.171 22.731 ( 3.527 0.000 -18.844) 19.171 24.504 ( -0.387 0.000 -0.775) 0.867 24.504 ( 0.387 0.000 -0.775) 0.867 25.761 ( -6.499 0.000 -4.528) 7.920 25.761 ( 6.499 0.000 -4.528) 7.920 26.780 ( -2.048 0.000 -1.770) 2.707 26.780 ( 2.048 0.000 -1.770) 2.707 27.259 ( -0.056 0.000 -3.216) 3.217 27.259 ( 0.056 0.000 -3.216) 3.217 27.466 ( -3.655 0.000 -1.173) 3.839 27.466 ( 3.655 0.000 -1.173) 3.839 27.888 ( -1.993 0.000 7.385) 7.649 27.888 ( 1.993 0.000 7.385) 7.649 29.085 ( -1.518 0.000 5.600) 5.802 29.085 ( 1.518 0.000 5.600) 5.802 29.798 ( -9.926 0.000 11.457) 15.159 29.798 ( 9.926 0.000 11.457) 15.159 32.154 ( -10.215 0.000 -1.903) 10.391 32.154 ( 10.215 0.000 -1.903) 10.391 ======================= Grid point 105 (37/80) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.000 31.577 36.774) 48.471 2.306 ( 0.000 22.813 35.112) 41.872 3.192 ( 0.000 23.674 12.589) 26.813 4.183 ( 0.000 38.130 64.750) 75.143 5.223 ( 0.000 -1.708 29.192) 29.242 5.282 ( 0.000 -5.042 13.772) 14.666 5.309 ( 0.000 -10.196 -13.164) 16.651 5.586 ( 0.000 -15.624 0.775) 15.643 5.827 ( 0.000 -0.182 -1.789) 1.798 5.832 ( 0.000 -13.041 -5.781) 14.265 6.258 ( 0.000 -21.154 7.520) 22.451 6.634 ( 0.000 -14.940 6.863) 16.441 6.811 ( 0.000 -3.338 12.596) 13.031 7.009 ( 0.000 -8.362 21.446) 23.018 7.371 ( 0.000 -17.532 25.869) 31.250 7.423 ( 0.000 -1.441 15.982) 16.047 7.491 ( 0.000 -11.866 20.253) 23.473 7.738 ( 0.000 3.634 12.942) 13.443 7.999 ( 0.000 5.993 -7.972) 9.974 8.095 ( 0.000 3.153 -17.463) 17.745 8.298 ( 0.000 10.629 3.801) 11.288 8.448 ( 0.000 1.009 0.092) 1.013 8.750 ( 0.000 10.109 2.913) 10.521 8.900 ( 0.000 -2.820 10.957) 11.314 9.083 ( 0.000 6.864 6.686) 9.582 9.358 ( 0.000 -5.501 -8.949) 10.505 9.407 ( 0.000 -1.594 23.258) 23.312 9.836 ( 0.000 -2.089 1.788) 2.750 10.080 ( 0.000 -3.143 0.216) 3.150 10.170 ( 0.000 9.581 3.023) 10.047 10.350 ( 0.000 6.636 0.279) 6.642 10.508 ( 0.000 -4.453 -4.953) 6.660 10.706 ( 0.000 -13.015 1.221) 13.072 10.809 ( 0.000 1.772 1.175) 2.126 10.911 ( 0.000 -7.328 11.205) 13.389 11.228 ( 0.000 15.283 -0.296) 15.286 11.335 ( 0.000 8.198 -24.511) 25.846 11.360 ( 0.000 9.739 -14.795) 17.712 11.492 ( 0.000 -0.856 4.965) 5.039 11.554 ( 0.000 1.609 -1.683) 2.328 11.901 ( 0.000 8.048 -6.815) 10.546 11.931 ( 0.000 5.793 -3.353) 6.693 12.564 ( 0.000 -8.169 5.537) 9.868 12.661 ( 0.000 -4.802 12.598) 13.482 12.809 ( 0.000 -16.105 4.626) 16.757 13.063 ( 0.000 3.423 -16.511) 16.862 13.612 ( 0.000 -2.351 -2.364) 3.334 13.801 ( 0.000 20.465 26.454) 33.446 14.588 ( 0.000 5.904 -13.795) 15.005 14.772 ( 0.000 -0.075 28.575) 28.575 15.021 ( 0.000 -1.077 24.670) 24.694 15.129 ( 0.000 -0.026 -7.996) 7.996 15.403 ( 0.000 16.091 -3.275) 16.421 15.841 ( 0.000 -20.921 -6.618) 21.943 16.055 ( 0.000 6.950 -13.465) 15.153 16.066 ( 0.000 -0.798 7.948) 7.988 16.487 ( 0.000 2.848 0.869) 2.978 16.672 ( 0.000 4.662 -10.891) 11.847 17.148 ( 0.000 -0.004 -23.288) 23.288 17.148 ( 0.000 -0.267 -13.255) 13.258 17.584 ( 0.000 -0.429 -14.361) 14.367 17.590 ( 0.000 -5.499 -32.935) 33.391 18.045 ( 0.000 -4.087 -1.121) 4.238 18.082 ( 0.000 2.651 3.727) 4.573 18.136 ( 0.000 -0.831 -13.202) 13.228 18.550 ( 0.000 15.139 9.418) 17.829 18.600 ( 0.000 -2.031 -4.560) 4.992 18.610 ( 0.000 -8.501 -18.649) 20.495 18.811 ( 0.000 -20.974 16.686) 26.801 19.443 ( 0.000 -2.626 0.582) 2.690 19.687 ( 0.000 15.170 -5.176) 16.029 20.749 ( 0.000 -4.814 15.186) 15.930 20.876 ( 0.000 5.699 0.563) 5.727 21.002 ( 0.000 -5.335 -7.607) 9.291 21.442 ( 0.000 8.676 12.243) 15.005 21.667 ( 0.000 9.992 5.870) 11.589 22.375 ( 0.000 2.425 -14.494) 14.696 22.674 ( 0.000 -5.638 -18.504) 19.344 24.446 ( 0.000 -5.672 0.138) 5.674 24.476 ( 0.000 -7.532 -0.279) 7.537 25.262 ( 0.000 6.230 0.981) 6.307 25.458 ( 0.000 4.824 -2.031) 5.234 26.834 ( 0.000 0.047 0.686) 0.688 27.024 ( 0.000 5.591 0.945) 5.670 27.052 ( 0.000 -2.062 -7.265) 7.552 27.130 ( 0.000 3.814 -1.948) 4.283 27.698 ( 0.000 -0.817 5.210) 5.274 27.798 ( 0.000 0.457 4.783) 4.804 27.842 ( 0.000 3.640 4.595) 5.862 28.053 ( 0.000 -3.137 7.333) 7.976 28.472 ( 0.000 -6.949 16.917) 18.289 28.717 ( 0.000 -2.573 7.429) 7.862 29.812 ( 0.000 1.307 2.139) 2.507 30.799 ( 0.000 -13.060 -10.640) 16.846 31.834 ( 0.000 12.653 1.124) 12.703 32.525 ( 0.000 -1.755 -8.162) 8.348 ======================= Grid point 106 (38/80) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 19.761 21.133 32.689) 43.654 2.554 ( 19.870 23.061 29.448) 42.353 3.253 ( 5.409 23.280 13.877) 27.637 4.354 ( 11.613 38.878 44.013) 59.862 5.155 ( -3.547 -3.471 30.647) 31.047 5.199 ( -6.584 -5.470 23.238) 24.765 5.327 ( 1.851 -11.648 -7.501) 13.978 5.624 ( -4.978 -6.990 3.007) 9.093 5.798 ( -5.403 3.520 -0.255) 6.454 5.836 ( 12.288 -19.394 -2.938) 23.146 6.343 ( 5.337 -21.578 9.950) 24.353 6.571 ( -20.334 -9.357 11.869) 25.336 6.730 ( 6.742 -11.763 7.010) 15.263 6.939 ( -0.735 -0.734 20.155) 20.182 7.329 ( -5.989 -11.420 12.184) 17.741 7.335 ( -9.257 -9.459 19.460) 23.534 7.461 ( -3.829 -0.085 19.687) 20.057 7.712 ( -6.934 -5.852 -16.961) 19.236 7.826 ( 5.503 7.274 15.782) 18.228 8.329 ( 6.366 10.660 -2.850) 12.739 8.481 ( 12.469 0.488 5.321) 13.565 8.585 ( 10.698 -2.497 -2.305) 11.225 8.835 ( 2.804 0.490 15.764) 16.019 8.920 ( -4.643 4.219 6.952) 9.364 9.077 ( 10.172 1.932 -0.719) 10.379 9.316 ( -4.091 -3.734 -3.963) 6.811 9.514 ( 7.421 -0.492 20.746) 22.039 9.850 ( 1.607 -1.385 -0.200) 2.131 9.886 ( -8.620 2.033 -3.168) 9.406 10.217 ( -9.324 5.022 -5.248) 11.819 10.292 ( 2.274 -1.583 4.471) 5.259 10.547 ( 1.946 2.195 3.293) 4.410 10.583 ( -8.368 1.085 -5.599) 10.127 10.721 ( -4.723 -5.031 -1.130) 6.992 10.947 ( -2.836 3.355 1.599) 4.676 11.062 ( -6.899 3.917 1.229) 8.028 11.246 ( -3.913 1.227 -12.990) 13.622 11.352 ( -0.797 8.470 -12.663) 15.256 11.508 ( 1.383 1.970 -2.225) 3.278 11.733 ( 12.130 -11.326 2.149) 16.734 12.003 ( 7.029 -1.310 -0.594) 7.174 12.138 ( 11.704 7.973 -10.730) 17.768 12.390 ( -7.885 -1.062 8.093) 11.348 12.743 ( 0.685 -6.535 -1.892) 6.838 12.898 ( 7.807 -14.600 8.789) 18.744 13.021 ( -6.579 11.472 -5.615) 14.367 13.460 ( -2.437 -15.256 -2.723) 15.687 13.925 ( -0.199 19.523 12.839) 23.367 14.602 ( 3.086 10.244 -9.196) 14.108 14.762 ( -0.747 0.450 27.949) 27.962 14.894 ( -8.228 -2.032 13.741) 16.145 15.200 ( 2.620 7.617 5.644) 9.836 15.374 ( 6.120 11.161 -14.299) 19.144 15.656 ( -12.004 -10.696 3.262) 16.405 16.093 ( 4.898 8.998 -3.538) 10.839 16.373 ( 7.323 -3.135 -16.983) 18.758 16.583 ( 15.302 -4.680 -2.013) 16.127 16.732 ( 3.514 1.040 -6.584) 7.535 16.916 ( -13.975 0.584 -18.767) 23.406 17.158 ( -4.406 1.510 -16.503) 17.148 17.574 ( 1.212 -0.670 -17.539) 17.594 17.630 ( 2.155 -1.014 -24.165) 24.282 18.040 ( 4.066 -6.301 0.789) 7.540 18.122 ( 2.796 -4.504 -0.278) 5.308 18.203 ( 2.542 -1.763 -5.185) 6.038 18.533 ( -2.369 -4.638 -4.002) 6.568 18.605 ( 0.412 -2.212 -4.057) 4.639 18.671 ( 5.093 7.774 -2.344) 9.585 18.848 ( 4.279 -10.848 12.114) 16.815 19.413 ( -3.625 -0.120 1.452) 3.907 19.655 ( -2.610 16.788 -3.907) 17.433 20.326 ( -30.520 15.093 6.292) 34.625 20.785 ( -0.543 -3.296 12.197) 12.647 21.000 ( -4.677 -7.288 6.233) 10.670 21.473 ( 2.600 9.274 9.937) 13.838 21.772 ( 5.378 6.740 -0.822) 8.661 22.471 ( 5.980 0.207 -17.099) 18.116 22.694 ( 1.665 -5.116 -18.308) 19.082 24.441 ( 0.133 -4.933 -0.427) 4.953 24.497 ( 0.584 -5.447 -0.366) 5.490 25.366 ( 7.154 -1.525 -5.199) 8.974 25.592 ( 11.046 3.401 -3.912) 12.201 26.821 ( -0.826 0.993 -0.010) 1.292 26.962 ( -2.956 4.421 0.529) 5.344 27.139 ( 4.575 0.178 -4.638) 6.517 27.166 ( 3.214 2.089 -2.813) 4.755 27.610 ( -7.684 0.373 1.433) 7.825 27.737 ( -6.233 3.048 5.111) 8.618 27.819 ( -0.021 -0.004 5.550) 5.550 27.978 ( -4.414 -3.119 7.190) 8.995 28.562 ( 7.278 -8.944 16.620) 20.229 28.822 ( 7.310 -4.002 7.932) 11.506 29.784 ( -2.139 1.560 3.236) 4.181 30.589 ( -17.295 -7.565 -4.003) 19.297 31.874 ( 4.444 11.001 1.953) 12.024 32.495 ( -3.138 -0.219 -7.857) 8.463 ======================= Grid point 107 (39/80) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 23.782 6.762 17.350) 30.205 3.046 ( 27.738 21.410 24.662) 42.849 3.397 ( 7.663 19.192 15.480) 25.820 4.421 ( -9.868 21.453 19.503) 30.626 4.744 ( -18.099 4.109 6.050) 19.521 5.251 ( -13.758 8.017 13.099) 20.619 5.562 ( 23.946 2.357 52.879) 58.096 5.669 ( 2.286 -4.049 2.663) 5.358 5.686 ( 13.554 -3.786 9.064) 16.739 6.042 ( -0.498 -14.524 -1.135) 14.577 6.156 ( -12.416 -15.329 2.989) 19.951 6.431 ( 2.512 -19.355 12.518) 23.186 6.925 ( 9.658 -9.527 10.183) 16.962 6.960 ( 1.471 2.113 21.585) 21.738 6.993 ( -13.181 -12.756 6.061) 19.318 7.217 ( -5.938 6.163 16.645) 18.716 7.414 ( -5.010 -10.053 16.052) 19.591 7.475 ( -17.188 -16.814 -4.611) 24.483 8.009 ( 11.740 8.173 13.566) 19.715 8.448 ( 7.258 14.557 1.444) 16.330 8.605 ( -8.129 4.413 13.973) 16.757 8.715 ( 4.567 -0.264 1.097) 4.704 8.801 ( -3.076 2.290 7.774) 8.668 8.909 ( 2.434 -3.338 6.649) 7.827 9.235 ( 1.254 -2.868 3.049) 4.369 9.363 ( 11.509 -2.775 2.561) 12.113 9.647 ( 3.013 -6.819 13.670) 15.571 9.794 ( -2.857 3.754 -5.146) 6.981 9.897 ( -0.431 2.101 -7.894) 8.180 10.065 ( 4.113 -2.085 -3.906) 6.044 10.214 ( -11.585 -4.192 -6.993) 14.166 10.430 ( -0.009 2.093 2.834) 3.523 10.624 ( -1.591 6.624 2.458) 7.242 10.686 ( 3.095 -1.869 -5.553) 6.626 10.817 ( -6.312 6.045 -6.979) 11.184 10.902 ( -3.937 4.493 -6.232) 8.632 11.217 ( -5.036 2.694 -7.927) 9.770 11.334 ( -4.990 0.753 -1.057) 5.156 11.547 ( 7.721 -11.110 -2.291) 13.722 11.982 ( 6.147 -16.367 2.989) 17.737 12.071 ( 2.276 -5.767 -1.945) 6.498 12.265 ( 2.457 2.734 -1.767) 4.078 12.422 ( 8.950 -4.474 3.160) 10.493 12.707 ( -5.291 2.539 -10.970) 12.441 12.834 ( -6.747 8.932 -0.566) 11.208 13.007 ( 0.933 -15.609 5.357) 16.529 13.498 ( 3.084 -8.783 -3.928) 10.104 13.775 ( -10.063 12.559 13.778) 21.185 14.714 ( 6.065 10.976 -0.213) 12.542 14.751 ( -0.081 2.552 26.080) 26.205 14.807 ( 0.995 -1.614 6.828) 7.086 15.220 ( -6.487 5.457 -9.115) 12.448 15.441 ( 5.476 7.111 -1.187) 9.054 15.680 ( 10.917 1.696 -4.493) 11.926 16.059 ( -5.083 23.824 -6.660) 25.254 16.417 ( -7.689 -8.065 -35.319) 37.035 16.637 ( -3.610 3.572 1.726) 5.364 16.764 ( -1.460 -5.517 -10.663) 12.094 16.910 ( 8.997 -8.604 -12.158) 17.401 17.056 ( -3.692 -3.635 -18.026) 18.756 17.656 ( 6.051 1.992 -8.716) 10.796 17.714 ( 5.903 0.438 -16.691) 17.710 18.146 ( 3.289 -11.537 -0.828) 12.025 18.202 ( -1.611 -7.948 2.507) 8.488 18.247 ( 7.901 -6.844 5.279) 11.711 18.454 ( -4.555 -11.164 -4.970) 13.042 18.632 ( 3.463 1.871 -5.060) 6.411 18.789 ( 5.525 10.277 3.478) 12.176 18.978 ( 5.839 4.164 4.959) 8.720 19.264 ( -9.841 4.485 4.802) 11.833 19.590 ( -3.145 18.661 -1.818) 19.011 19.783 ( -18.136 20.649 4.552) 27.857 20.784 ( 0.400 -4.800 13.123) 13.979 20.885 ( -4.943 -6.295 11.309) 13.854 21.558 ( 5.555 8.707 5.567) 11.733 21.809 ( -2.248 6.592 -2.211) 7.307 22.585 ( 5.050 -3.542 -17.285) 18.353 22.720 ( 0.087 -4.250 -18.284) 18.771 24.452 ( 0.816 -3.678 -0.787) 3.849 24.492 ( -0.752 -3.186 -0.370) 3.295 25.530 ( 8.188 -4.105 -5.758) 10.819 25.768 ( 2.662 -3.232 -7.534) 8.620 26.814 ( 0.464 4.164 -0.850) 4.275 26.899 ( -2.928 4.716 0.991) 5.639 27.222 ( 3.259 0.330 -3.603) 4.869 27.246 ( 3.180 0.514 -4.242) 5.327 27.463 ( -3.989 1.247 -0.899) 4.275 27.586 ( -7.051 0.766 1.151) 7.185 27.831 ( 1.129 -1.496 6.029) 6.314 27.910 ( -2.299 -2.176 7.614) 8.246 28.739 ( 8.614 -12.064 15.278) 21.288 28.941 ( 2.447 -9.416 8.721) 13.066 29.759 ( 1.193 3.797 5.636) 6.900 30.190 ( -17.774 1.054 4.035) 18.257 32.021 ( 8.658 7.830 0.204) 11.675 32.387 ( -6.831 2.433 -5.801) 9.286 ======================= Grid point 108 (40/80) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( -5.454 15.706 14.044) 21.763 3.335 ( 5.454 15.706 14.044) 21.763 3.845 ( -33.508 2.003 14.329) 36.499 3.845 ( 33.508 2.003 14.329) 36.499 4.820 ( -18.246 23.453 21.558) 36.711 4.820 ( 18.246 23.453 21.558) 36.711 5.785 ( -1.108 -2.758 4.051) 5.025 5.785 ( 1.108 -2.758 4.051) 5.025 5.946 ( -5.633 -20.285 -5.823) 21.843 5.946 ( 5.633 -20.285 -5.823) 21.843 6.305 ( -23.909 2.154 39.426) 46.159 6.305 ( 23.909 2.154 39.426) 46.159 6.888 ( -8.263 -11.033 25.838) 29.285 6.888 ( 8.263 -11.033 25.838) 29.285 7.078 ( -3.706 -7.052 2.446) 8.333 7.078 ( 3.706 -7.052 2.446) 8.333 7.290 ( -6.971 -10.287 5.018) 13.402 7.290 ( 6.971 -10.287 5.018) 13.402 8.311 ( -15.613 8.055 11.960) 21.253 8.311 ( 15.613 8.055 11.960) 21.253 8.641 ( -8.776 13.783 4.160) 16.861 8.641 ( 8.776 13.783 4.160) 16.861 8.852 ( -4.541 -8.319 3.808) 10.215 8.852 ( 4.541 -8.319 3.808) 10.215 9.415 ( -9.656 2.069 8.575) 13.079 9.415 ( 9.656 2.069 8.575) 13.079 9.679 ( -4.127 -6.792 4.476) 9.121 9.679 ( 4.127 -6.792 4.476) 9.121 9.969 ( -7.553 -0.491 -12.902) 14.958 9.969 ( 7.553 -0.491 -12.902) 14.958 10.347 ( -13.003 -9.086 -2.328) 16.033 10.347 ( 13.003 -9.086 -2.328) 16.033 10.569 ( -8.088 12.410 -5.433) 15.778 10.569 ( 8.088 12.410 -5.433) 15.778 10.939 ( -8.678 -0.153 -3.154) 9.234 10.939 ( 8.678 -0.153 -3.154) 9.234 11.117 ( -5.878 3.796 -4.082) 8.101 11.117 ( 5.878 3.796 -4.082) 8.101 11.821 ( -13.279 -17.499 2.366) 22.094 11.821 ( 13.279 -17.499 2.366) 22.094 12.274 ( -5.493 1.557 -4.045) 6.998 12.274 ( 5.493 1.557 -4.045) 6.998 12.532 ( -6.200 -1.592 -4.132) 7.619 12.532 ( 6.200 -1.592 -4.132) 7.619 12.905 ( -9.354 -7.989 2.189) 12.494 12.905 ( 9.354 -7.989 2.189) 12.494 13.591 ( -6.459 5.491 6.264) 10.540 13.591 ( 6.459 5.491 6.264) 10.540 14.755 ( -0.325 4.215 23.852) 24.223 14.755 ( 0.325 4.215 23.852) 24.223 14.984 ( -12.215 0.575 -10.219) 15.936 14.984 ( 12.215 0.575 -10.219) 15.936 15.679 ( -11.491 10.246 -6.004) 16.525 15.679 ( 11.491 10.246 -6.004) 16.525 16.131 ( -12.897 13.468 -19.708) 27.131 16.131 ( 12.897 13.468 -19.708) 27.131 16.696 ( -4.352 -7.051 -7.510) 11.183 16.696 ( 4.352 -7.051 -7.510) 11.183 17.001 ( -2.128 -7.377 -17.802) 19.387 17.001 ( 2.128 -7.377 -17.802) 19.387 17.772 ( -2.623 2.233 -8.723) 9.378 17.772 ( 2.623 2.233 -8.723) 9.378 18.183 ( -1.340 -13.478 5.068) 14.461 18.183 ( 1.340 -13.478 5.068) 14.461 18.360 ( -3.825 -11.050 -2.732) 12.008 18.360 ( 3.825 -11.050 -2.732) 12.008 18.791 ( -7.991 10.991 -0.052) 13.589 18.791 ( 7.991 10.991 -0.052) 13.589 19.076 ( -5.882 5.898 6.041) 10.290 19.076 ( 5.882 5.898 6.041) 10.290 19.568 ( -2.985 19.982 -0.416) 20.208 19.568 ( 2.985 19.982 -0.416) 20.208 20.808 ( -2.193 -5.001 13.138) 14.228 20.808 ( 2.193 -5.001 13.138) 14.228 21.700 ( -6.912 7.294 0.729) 10.075 21.700 ( 6.912 7.294 0.729) 10.075 22.683 ( -3.549 -4.543 -17.744) 18.656 22.683 ( 3.549 -4.543 -17.744) 18.656 24.472 ( -1.001 -2.838 -0.686) 3.086 24.472 ( 1.001 -2.838 -0.686) 3.086 25.703 ( -7.128 -4.694 -5.726) 10.278 25.703 ( 7.128 -4.694 -5.726) 10.278 26.844 ( -2.136 5.229 -0.594) 5.680 26.844 ( 2.136 5.229 -0.594) 5.680 27.270 ( -0.922 0.799 -3.813) 4.004 27.270 ( 0.922 0.799 -3.813) 4.004 27.466 ( -3.634 0.024 -1.548) 3.950 27.466 ( 3.634 0.024 -1.548) 3.950 27.865 ( -1.933 -2.153 7.001) 7.575 27.865 ( 1.933 -2.153 7.001) 7.575 28.902 ( -5.677 -13.567 11.762) 18.832 28.902 ( 5.677 -13.567 11.762) 18.832 29.881 ( -10.432 5.419 6.438) 13.403 29.881 ( 10.432 5.419 6.438) 13.403 32.215 ( -8.940 5.029 -2.800) 10.633 32.215 ( 8.940 5.029 -2.800) 10.633 ======================= Grid point 112 (41/80) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 0.000 39.204 11.740) 40.924 3.051 ( 0.000 40.162 24.036) 46.805 3.803 ( 0.000 29.720 3.764) 29.957 4.734 ( 0.000 -18.492 9.286) 20.693 4.814 ( 0.000 -38.141 -5.366) 38.517 5.124 ( 0.000 -21.028 -11.313) 23.878 5.202 ( 0.000 34.321 69.617) 77.618 5.489 ( 0.000 19.765 14.100) 24.279 5.628 ( 0.000 -8.401 13.327) 15.754 5.852 ( 0.000 3.806 1.040) 3.946 5.990 ( 0.000 -4.685 -1.764) 5.007 6.305 ( 0.000 -12.539 8.182) 14.972 6.619 ( 0.000 -19.746 21.511) 29.200 6.879 ( 0.000 -14.050 4.110) 14.639 6.885 ( 0.000 -4.624 10.195) 11.195 7.153 ( 0.000 -20.226 26.311) 33.187 7.284 ( 0.000 -6.371 19.451) 20.467 7.743 ( 0.000 -20.622 23.694) 31.412 8.096 ( 0.000 14.480 16.679) 22.088 8.257 ( 0.000 9.135 -5.074) 10.450 8.450 ( 0.000 0.143 3.135) 3.138 8.720 ( 0.000 20.486 -9.871) 22.740 8.742 ( 0.000 -10.803 24.061) 26.374 8.919 ( 0.000 2.934 -0.126) 2.936 8.959 ( 0.000 -6.902 2.319) 7.281 9.149 ( 0.000 -7.147 -12.784) 14.646 9.573 ( 0.000 12.059 5.619) 13.304 9.997 ( 0.000 10.382 6.811) 12.416 10.093 ( 0.000 3.341 1.732) 3.764 10.184 ( 0.000 -13.534 -1.983) 13.678 10.389 ( 0.000 -0.693 -3.748) 3.812 10.463 ( 0.000 2.655 3.645) 4.509 10.523 ( 0.000 -0.375 7.469) 7.479 10.733 ( 0.000 -7.633 1.857) 7.856 10.918 ( 0.000 3.900 -5.882) 7.057 11.184 ( 0.000 -9.013 -3.735) 9.757 11.498 ( 0.000 3.173 1.479) 3.501 11.557 ( 0.000 7.168 -8.752) 11.313 11.617 ( 0.000 7.447 -8.027) 10.949 11.708 ( 0.000 5.478 -6.578) 8.560 11.954 ( 0.000 1.518 -12.543) 12.635 12.056 ( 0.000 6.962 -7.854) 10.495 12.496 ( 0.000 -6.900 -1.407) 7.042 12.542 ( 0.000 -8.027 9.580) 12.498 12.628 ( 0.000 6.972 6.521) 9.546 12.984 ( 0.000 -7.182 -13.245) 15.066 13.785 ( 0.000 15.755 7.025) 17.250 14.083 ( 0.000 6.993 23.087) 24.123 14.778 ( 0.000 1.306 25.014) 25.048 14.787 ( 0.000 8.320 -8.431) 11.845 15.065 ( 0.000 -6.131 -0.642) 6.164 15.075 ( 0.000 9.376 22.416) 24.298 15.347 ( 0.000 -23.519 -2.574) 23.659 15.589 ( 0.000 0.442 -0.947) 1.045 16.067 ( 0.000 -0.474 -10.768) 10.778 16.159 ( 0.000 1.277 -21.459) 21.497 16.603 ( 0.000 6.689 -0.864) 6.745 16.705 ( 0.000 -0.560 -11.398) 11.412 17.178 ( 0.000 2.664 -23.841) 23.989 17.237 ( 0.000 8.256 -12.892) 15.309 17.475 ( 0.000 -2.115 -20.223) 20.333 17.627 ( 0.000 4.508 -6.233) 7.692 17.950 ( 0.000 -4.348 -1.452) 4.585 18.116 ( 0.000 -1.163 0.586) 1.302 18.145 ( 0.000 0.630 -10.884) 10.902 18.290 ( 0.000 -17.286 14.213) 22.379 18.543 ( 0.000 -2.722 -9.348) 9.736 18.558 ( 0.000 -5.313 -11.858) 12.994 18.896 ( 0.000 16.445 11.589) 20.118 19.372 ( 0.000 -5.028 3.681) 6.231 20.046 ( 0.000 17.974 -2.807) 18.192 20.626 ( 0.000 -7.053 14.393) 16.028 20.850 ( 0.000 -5.218 7.418) 9.070 20.851 ( 0.000 -7.768 -3.460) 8.504 21.670 ( 0.000 11.879 4.159) 12.586 21.883 ( 0.000 7.159 -6.295) 9.533 22.421 ( 0.000 1.448 -16.960) 17.022 22.528 ( 0.000 -6.989 -17.859) 19.178 24.322 ( 0.000 -5.846 -0.428) 5.861 24.325 ( 0.000 -5.032 -0.455) 5.053 25.404 ( 0.000 6.533 1.942) 6.815 25.535 ( 0.000 1.621 0.134) 1.626 26.857 ( 0.000 2.115 -2.396) 3.196 26.991 ( 0.000 -3.432 -7.082) 7.870 27.150 ( 0.000 5.601 1.406) 5.775 27.212 ( 0.000 3.009 -0.826) 3.121 27.720 ( 0.000 2.972 3.769) 4.800 27.812 ( 0.000 0.878 5.998) 6.062 27.877 ( 0.000 -0.350 6.897) 6.906 27.959 ( 0.000 -5.533 6.477) 8.518 28.411 ( 0.000 1.853 20.720) 20.803 28.636 ( 0.000 -5.167 11.873) 12.949 29.886 ( 0.000 6.536 -1.683) 6.749 30.453 ( 0.000 -17.974 -8.452) 19.862 32.116 ( 0.000 12.547 -5.882) 13.858 32.463 ( 0.000 -4.308 -8.392) 9.433 ======================= Grid point 113 (42/80) ======================= q-point: ( 0.17 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( 8.729 35.766 10.037) 38.160 3.244 ( 15.823 37.344 21.626) 45.963 3.845 ( 2.691 28.694 3.013) 28.977 4.785 ( 4.933 -31.675 1.862) 32.111 4.864 ( 3.277 -23.999 -1.546) 24.271 5.048 ( -4.122 -11.614 3.118) 12.712 5.322 ( -1.969 22.141 43.617) 48.954 5.491 ( 9.927 11.378 28.072) 31.875 5.614 ( 2.941 7.601 18.988) 20.663 5.844 ( -1.047 1.752 -1.602) 2.595 6.020 ( 1.550 -6.995 4.418) 8.418 6.408 ( 0.163 -13.919 10.848) 17.648 6.460 ( -6.764 -10.612 17.246) 21.349 6.774 ( -8.891 -15.929 10.418) 21.008 6.894 ( 1.130 -4.370 7.464) 8.723 7.183 ( 0.411 -17.875 26.105) 31.641 7.296 ( 1.937 -6.604 12.651) 14.402 7.615 ( -9.314 -15.031 8.888) 19.791 8.114 ( 5.282 15.237 16.093) 22.782 8.425 ( 4.167 -1.176 12.350) 13.087 8.520 ( 6.371 -2.714 -0.287) 6.931 8.575 ( -0.456 6.896 -3.002) 7.535 8.783 ( 1.316 -1.839 17.992) 18.133 8.890 ( -3.562 -5.827 4.021) 7.925 9.110 ( 10.655 2.976 -2.792) 11.410 9.232 ( 5.864 -3.270 -15.310) 16.718 9.572 ( -3.922 9.102 14.485) 17.551 9.967 ( -2.908 9.148 6.548) 11.620 10.030 ( -0.710 6.989 -1.120) 7.114 10.178 ( -0.786 -10.710 -1.540) 10.848 10.258 ( -12.702 0.577 1.271) 12.779 10.453 ( 2.474 -3.158 -7.193) 8.236 10.608 ( 2.190 3.505 6.334) 7.563 10.777 ( -5.741 -5.078 -1.721) 7.855 10.859 ( 7.168 2.230 -0.023) 7.507 11.131 ( -3.860 -7.139 -1.781) 8.309 11.380 ( -12.777 8.620 -6.983) 16.921 11.486 ( -3.503 -0.984 -1.076) 3.794 11.540 ( -6.859 6.438 -13.232) 16.235 11.608 ( -3.973 0.476 -3.957) 5.627 11.931 ( 0.796 -1.257 -6.814) 6.974 12.152 ( 1.926 -3.823 -6.857) 8.084 12.461 ( -2.486 -0.322 7.075) 7.506 12.570 ( 2.751 -9.963 1.622) 10.462 12.783 ( 10.364 6.681 -0.536) 12.342 13.120 ( 11.205 -5.830 -8.098) 15.004 13.433 ( -18.804 17.693 8.945) 27.325 14.153 ( -6.511 -1.115 18.973) 20.090 14.750 ( -0.492 0.392 18.565) 18.576 14.832 ( -5.406 -3.622 11.950) 13.606 14.911 ( 4.543 16.020 -0.379) 16.656 15.257 ( 10.284 2.660 -0.519) 10.635 15.432 ( 2.642 -9.176 8.093) 12.517 15.587 ( 3.367 3.993 -9.116) 10.506 16.103 ( 4.365 -3.664 -23.268) 23.956 16.328 ( 8.785 -9.423 -14.815) 19.633 16.610 ( 1.338 8.131 -3.478) 8.944 16.724 ( 1.352 -0.631 -8.875) 8.999 17.038 ( -8.612 11.261 -13.571) 19.625 17.245 ( -3.782 9.111 -12.541) 15.956 17.466 ( 1.377 -8.164 -24.133) 25.514 17.677 ( 2.916 3.856 -6.823) 8.362 17.925 ( -0.874 -4.753 -1.866) 5.181 18.052 ( -3.807 -8.391 4.475) 10.244 18.114 ( 0.332 -1.656 -0.013) 1.689 18.304 ( -1.427 -9.708 -4.574) 10.826 18.560 ( 2.923 -0.801 -9.002) 9.498 18.668 ( 8.751 -3.929 -4.561) 10.622 19.020 ( 9.303 14.944 11.127) 20.825 19.398 ( 0.827 -2.227 4.158) 4.789 20.035 ( -1.003 18.567 -1.820) 18.683 20.506 ( -14.448 2.824 10.900) 18.318 20.681 ( -5.146 -6.477 2.367) 8.604 20.811 ( -5.374 -9.791 8.343) 13.941 21.709 ( 2.979 12.173 2.119) 12.710 21.938 ( 4.201 6.489 -3.112) 8.333 22.459 ( 1.161 -1.438 -18.672) 18.763 22.563 ( 3.143 -6.257 -16.415) 17.846 24.338 ( 1.443 -4.148 -0.964) 4.496 24.363 ( 2.642 -5.845 -0.864) 6.473 25.400 ( 1.326 4.029 -2.024) 4.700 25.596 ( 3.956 -2.650 -0.596) 4.799 26.877 ( 2.156 4.077 -2.616) 5.302 27.027 ( 1.190 -0.078 -2.677) 2.931 27.154 ( 1.594 2.739 -1.802) 3.646 27.220 ( 0.616 1.844 -1.085) 2.226 27.648 ( -6.217 3.283 1.002) 7.102 27.793 ( -6.439 1.974 5.216) 8.519 27.807 ( -2.699 -1.420 4.247) 5.229 27.899 ( -2.653 -3.808 8.807) 9.955 28.446 ( 3.666 -1.153 20.174) 20.537 28.682 ( 2.522 -8.427 12.985) 15.684 29.871 ( -0.948 7.023 -0.340) 7.095 30.355 ( -8.266 -13.336 -5.550) 16.643 32.132 ( 2.039 11.990 -4.202) 12.868 32.461 ( -0.739 -3.389 -8.184) 8.888 ======================= Grid point 114 (43/80) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( 14.803 23.890 1.185) 28.130 3.666 ( 21.616 33.613 19.258) 44.361 3.848 ( -2.814 18.609 -2.509) 18.987 4.692 ( -19.477 14.058 7.475) 25.157 4.973 ( 12.217 -19.447 5.415) 23.596 5.098 ( 9.979 -7.581 14.946) 19.505 5.289 ( 3.530 -19.772 23.796) 31.139 5.584 ( -7.886 0.477 15.712) 17.586 5.769 ( 1.048 3.047 7.439) 8.106 5.943 ( -11.952 -5.875 16.806) 21.443 5.985 ( 14.914 7.459 24.768) 29.858 6.171 ( 2.393 7.036 12.421) 14.474 6.475 ( -7.961 -27.745 8.464) 30.080 6.692 ( 7.585 -8.832 14.636) 18.702 6.924 ( -0.379 -8.271 8.480) 11.852 7.127 ( -3.993 -7.036 24.609) 25.905 7.295 ( -5.421 -1.809 8.032) 9.857 7.449 ( -5.648 0.414 1.823) 5.949 8.235 ( 6.867 10.425 16.108) 20.379 8.493 ( 5.055 -10.635 11.041) 16.142 8.608 ( -0.808 -2.347 12.097) 12.349 8.679 ( 3.776 1.791 -6.641) 7.846 8.792 ( -3.714 -3.232 14.145) 14.978 8.876 ( 7.471 -0.258 11.694) 13.879 9.199 ( -3.035 1.279 -5.331) 6.266 9.392 ( 10.106 2.515 -4.700) 11.426 9.517 ( 1.706 -4.703 8.807) 10.129 9.857 ( -6.170 4.438 -1.923) 7.840 9.901 ( -15.502 -7.010 9.828) 19.647 10.100 ( -5.054 3.377 -1.703) 6.313 10.163 ( 3.945 4.833 -5.643) 8.412 10.451 ( -2.677 1.871 0.671) 3.335 10.599 ( 4.390 -0.163 -11.101) 11.938 10.822 ( 7.008 3.797 6.255) 10.132 10.945 ( -10.488 5.807 -8.535) 14.716 11.061 ( 4.861 3.233 0.277) 5.845 11.174 ( -3.176 -1.668 -7.269) 8.106 11.333 ( -10.871 -0.739 -13.133) 17.064 11.382 ( -6.691 -6.794 -0.054) 9.536 11.560 ( -2.394 -14.768 3.542) 15.374 12.016 ( 8.937 -2.386 -3.962) 10.063 12.177 ( 2.579 -9.118 -4.591) 10.529 12.399 ( -4.029 0.690 2.036) 4.566 12.579 ( -3.999 -10.361 -1.057) 11.156 12.943 ( 4.129 10.106 -2.317) 11.160 13.137 ( -8.614 17.033 6.646) 20.211 13.381 ( 11.846 -3.798 0.404) 12.446 13.884 ( -14.015 -4.647 16.549) 22.179 14.754 ( 0.824 -0.226 19.722) 19.741 14.783 ( -0.511 -0.973 19.266) 19.298 15.020 ( 5.824 15.665 -6.952) 18.101 15.269 ( -4.849 4.475 -3.321) 7.387 15.657 ( 11.204 5.709 4.048) 13.210 15.720 ( 8.694 2.215 -12.506) 15.391 16.168 ( 1.122 -8.766 -34.686) 35.794 16.373 ( -4.584 -9.329 -22.559) 24.838 16.665 ( 2.773 3.270 -5.193) 6.734 16.747 ( -0.014 -1.961 -7.074) 7.341 16.896 ( -2.657 15.538 -6.268) 16.964 17.087 ( -8.719 10.846 -4.992) 14.785 17.584 ( 8.711 -9.232 -16.284) 20.647 17.747 ( 4.396 2.521 -10.640) 11.785 17.934 ( -0.467 -10.133 -1.277) 10.224 17.972 ( -3.689 -11.927 9.045) 15.417 18.139 ( 1.290 -2.405 -1.992) 3.379 18.245 ( -3.387 -7.363 -10.041) 12.904 18.712 ( 11.600 5.329 -3.298) 13.185 18.889 ( 11.112 -0.010 -0.741) 11.136 19.172 ( 2.148 10.441 5.750) 12.112 19.344 ( -6.105 2.324 5.555) 8.575 19.999 ( -2.071 19.563 0.404) 19.677 20.177 ( -12.352 15.283 4.944) 20.262 20.631 ( -0.530 -9.815 10.348) 14.272 20.706 ( -3.761 -10.302 10.511) 15.191 21.791 ( 4.976 12.643 0.138) 13.588 21.997 ( -0.233 9.367 -0.582) 9.388 22.473 ( 1.508 -6.310 -16.896) 18.099 22.601 ( -0.564 -6.924 -15.954) 17.401 24.375 ( 1.754 -3.055 -1.099) 3.691 24.404 ( 0.896 -4.307 -0.752) 4.463 25.480 ( 5.683 -0.061 -6.531) 8.658 25.655 ( 0.715 -6.620 -4.680) 8.139 26.930 ( 1.993 5.915 -1.316) 6.379 26.996 ( -2.845 3.756 2.306) 5.246 27.230 ( 3.741 0.035 -5.184) 6.393 27.247 ( 2.412 -0.390 -3.195) 4.022 27.508 ( -5.324 2.978 -1.650) 6.320 27.598 ( -8.459 0.069 -0.366) 8.468 27.793 ( -0.123 -1.548 5.970) 6.168 27.851 ( -2.277 -3.191 8.139) 9.034 28.547 ( 5.161 -5.178 19.348) 20.683 28.700 ( -0.953 -11.137 14.735) 18.495 29.875 ( 1.948 6.629 2.009) 7.196 30.151 ( -9.794 -4.538 -0.595) 10.811 32.210 ( 4.892 8.883 -3.186) 10.629 32.417 ( -3.417 -0.268 -6.442) 7.297 ======================= Grid point 115 (44/80) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( -12.883 13.923 -5.726) 19.814 3.637 ( 12.883 13.923 -5.726) 19.814 4.204 ( -24.509 27.805 16.194) 40.448 4.204 ( 24.509 27.805 16.194) 40.448 5.255 ( -10.160 12.190 29.819) 33.779 5.255 ( 10.160 12.190 29.819) 33.779 5.367 ( -7.548 -29.087 5.582) 30.564 5.367 ( 7.548 -29.087 5.582) 30.564 5.717 ( -2.752 -2.721 9.513) 10.270 5.717 ( 2.752 -2.721 9.513) 10.270 6.158 ( -7.734 -17.628 4.756) 19.829 6.158 ( 7.734 -17.628 4.756) 19.829 6.726 ( -18.895 -3.124 20.157) 27.804 6.726 ( 18.895 -3.124 20.157) 27.804 6.907 ( -10.867 -2.292 20.267) 23.110 6.907 ( 10.867 -2.292 20.267) 23.110 7.309 ( -7.452 7.232 6.139) 12.063 7.309 ( 7.452 7.232 6.139) 12.063 8.446 ( -11.456 3.124 15.494) 19.521 8.446 ( 11.456 3.124 15.494) 19.521 8.609 ( -4.671 -11.730 4.581) 13.431 8.609 ( 4.671 -11.730 4.581) 13.431 8.886 ( -6.467 8.195 6.584) 12.342 8.886 ( 6.467 8.195 6.584) 12.342 9.337 ( -14.795 -8.358 2.381) 17.159 9.337 ( 14.795 -8.358 2.381) 17.159 9.647 ( -11.343 -0.309 2.962) 11.728 9.647 ( 11.343 -0.309 2.962) 11.728 9.876 ( -8.373 -3.898 -1.939) 9.437 9.876 ( 8.373 -3.898 -1.939) 9.437 10.342 ( -8.858 7.586 -1.406) 11.747 10.342 ( 8.858 7.586 -1.406) 11.747 10.743 ( -9.105 4.184 -9.373) 13.721 10.743 ( 9.105 4.184 -9.373) 13.721 11.000 ( -7.094 4.227 -5.376) 9.853 11.000 ( 7.094 4.227 -5.376) 9.853 11.166 ( -2.112 1.380 -2.008) 3.224 11.166 ( 2.112 1.380 -2.008) 3.224 11.423 ( -9.493 -17.414 1.467) 19.888 11.423 ( 9.493 -17.414 1.467) 19.888 12.230 ( -5.843 -10.218 -2.194) 11.974 12.230 ( 5.843 -10.218 -2.194) 11.974 12.382 ( -10.759 -2.399 -3.667) 11.617 12.382 ( 10.759 -2.399 -3.667) 11.617 13.016 ( -3.876 14.172 3.078) 15.011 13.016 ( 3.876 14.172 3.078) 15.011 13.622 ( -11.072 -4.296 9.624) 15.286 13.622 ( 11.072 -4.296 9.624) 15.286 14.773 ( -0.707 -0.732 20.809) 20.834 14.773 ( 0.707 -0.732 20.809) 20.834 15.153 ( -6.019 12.578 -6.577) 15.417 15.153 ( 6.019 12.578 -6.577) 15.417 15.808 ( -3.430 2.721 -5.153) 6.761 15.808 ( 3.430 2.721 -5.153) 6.761 16.229 ( -6.326 -7.798 -34.848) 36.265 16.229 ( 6.326 -7.798 -34.848) 36.265 16.715 ( -2.195 1.689 -4.585) 5.357 16.715 ( 2.195 1.689 -4.585) 5.357 16.934 ( -5.043 10.910 -3.862) 12.624 16.934 ( 5.043 10.910 -3.862) 12.624 17.769 ( -6.416 -4.897 -11.685) 14.202 17.769 ( 6.416 -4.897 -11.685) 14.202 17.909 ( -2.993 -10.080 4.781) 11.551 17.909 ( 2.993 -10.080 4.781) 11.551 18.177 ( -2.650 -5.764 -6.597) 9.153 18.177 ( 2.650 -5.764 -6.597) 9.153 18.986 ( -10.003 7.217 2.158) 12.522 18.986 ( 10.003 7.217 2.158) 12.522 19.178 ( -7.563 3.136 1.287) 8.288 19.178 ( 7.563 3.136 1.287) 8.288 20.009 ( -4.020 20.022 3.487) 20.718 20.009 ( 4.020 20.022 3.487) 20.718 20.648 ( -1.841 -10.211 11.654) 15.604 20.648 ( 1.841 -10.211 11.654) 15.604 21.917 ( -6.063 12.415 -0.425) 13.823 21.917 ( 6.063 12.415 -0.425) 13.823 22.542 ( -4.116 -8.555 -15.452) 18.136 22.542 ( 4.116 -8.555 -15.452) 18.136 24.403 ( -0.779 -3.107 -0.732) 3.285 24.403 ( 0.779 -3.107 -0.732) 3.285 25.606 ( -5.005 -3.719 -7.368) 9.652 25.606 ( 5.005 -3.719 -7.368) 9.652 26.954 ( -0.892 4.270 1.167) 4.516 26.954 ( 0.892 4.270 1.167) 4.516 27.282 ( -0.867 0.268 -4.973) 5.055 27.282 ( 0.867 0.268 -4.973) 5.055 27.471 ( -2.590 0.442 -2.256) 3.463 27.471 ( 2.590 0.442 -2.256) 3.463 27.807 ( -1.482 -2.836 6.712) 7.435 27.807 ( 1.482 -2.836 6.712) 7.435 28.647 ( -3.832 -8.963 17.313) 19.869 28.647 ( 3.832 -8.963 17.313) 19.869 29.968 ( -6.755 2.623 2.206) 7.575 29.968 ( 6.755 2.623 2.206) 7.575 32.322 ( -5.183 4.236 -4.266) 7.938 32.322 ( 5.183 4.236 -4.266) 7.938 ======================= Grid point 119 (45/80) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 0.000 -0.838 6.370) 6.425 3.768 ( 0.000 0.838 6.370) 6.425 3.981 ( 0.000 -15.465 4.544) 16.119 3.981 ( 0.000 15.465 4.544) 16.119 4.664 ( 0.000 -21.075 -1.119) 21.104 4.664 ( 0.000 21.075 -1.119) 21.104 5.494 ( 0.000 -5.306 23.149) 23.749 5.494 ( 0.000 5.306 23.149) 23.749 5.911 ( 0.000 -5.213 0.273) 5.220 5.911 ( 0.000 5.213 0.273) 5.220 6.217 ( 0.000 -12.173 22.494) 25.577 6.217 ( 0.000 12.173 22.494) 25.577 6.459 ( 0.000 -42.770 27.395) 50.791 6.459 ( 0.000 42.770 27.395) 50.791 6.804 ( 0.000 -1.314 -0.098) 1.318 6.804 ( 0.000 1.314 -0.098) 1.318 7.316 ( 0.000 -11.165 31.571) 33.487 7.316 ( 0.000 11.165 31.571) 33.487 8.391 ( 0.000 -1.301 2.929) 3.205 8.391 ( 0.000 1.301 2.929) 3.205 8.459 ( 0.000 -10.480 19.959) 22.543 8.459 ( 0.000 10.480 19.959) 22.543 8.925 ( 0.000 -1.266 1.822) 2.219 8.925 ( 0.000 1.266 1.822) 2.219 9.025 ( 0.000 -7.803 -15.797) 17.619 9.025 ( 0.000 7.803 -15.797) 17.619 9.869 ( 0.000 -15.140 -2.227) 15.303 9.869 ( 0.000 15.140 -2.227) 15.303 10.137 ( 0.000 -1.741 7.252) 7.458 10.137 ( 0.000 1.741 7.252) 7.458 10.430 ( 0.000 -4.516 7.862) 9.067 10.430 ( 0.000 4.516 7.862) 9.067 10.560 ( 0.000 -5.109 -1.968) 5.475 10.560 ( 0.000 5.109 -1.968) 5.475 11.030 ( 0.000 -5.571 -10.599) 11.974 11.030 ( 0.000 5.571 -10.599) 11.974 11.617 ( 0.000 -7.395 0.351) 7.403 11.617 ( 0.000 7.395 0.351) 7.403 11.659 ( 0.000 -2.466 0.847) 2.608 11.659 ( 0.000 2.466 0.847) 2.608 12.119 ( 0.000 -5.147 -12.639) 13.647 12.119 ( 0.000 5.147 -12.639) 13.647 12.388 ( 0.000 -1.263 -2.446) 2.753 12.388 ( 0.000 1.263 -2.446) 2.753 12.831 ( 0.000 -8.303 -2.877) 8.787 12.831 ( 0.000 8.303 -2.877) 8.787 14.087 ( 0.000 -8.428 16.381) 18.422 14.087 ( 0.000 8.428 16.381) 18.422 14.855 ( 0.000 -3.109 13.958) 14.300 14.855 ( 0.000 3.109 13.958) 14.300 14.966 ( 0.000 -3.772 1.936) 4.240 14.966 ( 0.000 3.772 1.936) 4.240 15.411 ( 0.000 -15.764 7.398) 17.414 15.411 ( 0.000 15.764 7.398) 17.414 16.108 ( 0.000 -4.364 -23.540) 23.941 16.108 ( 0.000 4.364 -23.540) 23.941 16.686 ( 0.000 -1.557 -8.662) 8.801 16.686 ( 0.000 1.557 -8.662) 8.801 17.251 ( 0.000 -3.977 -29.389) 29.657 17.251 ( 0.000 3.977 -29.389) 29.657 17.665 ( 0.000 -8.362 9.168) 12.409 17.665 ( 0.000 8.362 9.168) 12.409 17.906 ( 0.000 -5.818 1.282) 5.958 17.906 ( 0.000 5.818 1.282) 5.958 18.158 ( 0.000 -0.791 -4.951) 5.014 18.158 ( 0.000 0.791 -4.951) 5.014 18.508 ( 0.000 -0.104 -13.699) 13.700 18.508 ( 0.000 0.104 -13.699) 13.700 19.200 ( 0.000 -11.638 8.594) 14.467 19.200 ( 0.000 11.638 8.594) 14.467 20.402 ( 0.000 -14.735 3.478) 15.140 20.402 ( 0.000 14.735 3.478) 15.140 20.766 ( 0.000 -0.839 6.623) 6.676 20.766 ( 0.000 0.839 6.623) 6.676 21.886 ( 0.000 -6.804 -1.733) 7.022 21.886 ( 0.000 6.804 -1.733) 7.022 22.439 ( 0.000 -1.249 -19.128) 19.169 22.439 ( 0.000 1.249 -19.128) 19.169 24.262 ( 0.000 -0.354 -0.590) 0.688 24.262 ( 0.000 0.354 -0.590) 0.688 25.514 ( 0.000 -3.467 1.755) 3.886 25.514 ( 0.000 3.467 1.755) 3.886 26.917 ( 0.000 -3.419 -5.127) 6.163 26.917 ( 0.000 3.419 -5.127) 6.163 27.230 ( 0.000 -1.549 0.425) 1.606 27.230 ( 0.000 1.549 0.425) 1.606 27.808 ( 0.000 -3.678 3.042) 4.773 27.808 ( 0.000 3.678 3.042) 4.773 27.862 ( 0.000 -0.780 9.211) 9.244 27.862 ( 0.000 0.780 9.211) 9.244 28.510 ( 0.000 -6.252 16.702) 17.834 28.510 ( 0.000 6.252 16.702) 17.834 30.104 ( 0.000 -14.081 -5.486) 15.112 30.104 ( 0.000 14.081 -5.486) 15.112 32.335 ( 0.000 -8.142 -8.136) 11.510 32.335 ( 0.000 8.142 -8.136) 11.510 ======================= Grid point 121 (46/80) ======================= q-point: ( 0.17 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.857 ( 5.449 -21.635 -1.052) 22.335 3.857 ( 5.449 21.635 -1.052) 22.335 4.059 ( 8.330 -12.581 4.946) 15.879 4.059 ( 8.330 12.581 4.946) 15.879 4.658 ( 2.042 -16.012 8.087) 18.054 4.658 ( 2.042 16.012 8.087) 18.054 5.514 ( -0.754 -8.831 24.617) 26.164 5.514 ( -0.754 8.831 24.617) 26.164 5.884 ( -2.007 -7.460 -2.017) 7.984 5.884 ( -2.007 7.460 -2.017) 7.984 6.212 ( -2.273 -3.467 20.423) 20.840 6.212 ( -2.273 3.467 20.423) 20.840 6.547 ( 8.216 -40.379 26.730) 49.117 6.547 ( 8.216 40.379 26.730) 49.117 6.787 ( -2.377 -5.230 6.041) 8.336 6.787 ( -2.377 5.230 6.041) 8.336 7.254 ( -2.256 -6.128 22.964) 23.874 7.254 ( -2.256 6.128 22.964) 23.874 8.389 ( 1.044 -9.321 10.827) 14.325 8.389 ( 1.044 9.321 10.827) 14.325 8.539 ( 3.953 -7.274 7.271) 11.018 8.539 ( 3.953 7.274 7.271) 11.018 8.807 ( -3.662 -2.599 6.272) 7.714 8.807 ( -3.662 2.599 6.272) 7.714 9.174 ( 7.687 -3.186 -13.361) 15.740 9.174 ( 7.687 3.186 -13.361) 15.740 9.846 ( -4.946 -14.971 2.865) 16.025 9.846 ( -4.946 14.971 2.865) 16.025 10.119 ( -1.386 -3.775 5.327) 6.674 10.119 ( -1.386 3.775 5.327) 6.674 10.378 ( -2.918 -6.821 3.805) 8.338 10.378 ( -2.918 6.821 3.805) 8.338 10.630 ( 4.952 -3.320 -0.950) 6.037 10.630 ( 4.952 3.320 -0.950) 6.037 10.956 ( -3.560 -4.384 -7.399) 9.308 10.956 ( -3.560 4.384 -7.399) 9.308 11.532 ( -8.723 -4.253 -0.923) 9.749 11.532 ( -8.723 4.253 -0.923) 9.749 11.570 ( -7.632 -3.667 -2.782) 8.912 11.570 ( -7.632 3.667 -2.782) 8.912 12.024 ( -4.520 -7.912 -9.819) 13.396 12.024 ( -4.520 7.912 -9.819) 13.396 12.438 ( 2.683 -1.851 -0.315) 3.275 12.438 ( 2.683 1.851 -0.315) 3.275 12.973 ( 10.328 -8.283 -2.921) 13.558 12.973 ( 10.328 8.283 -2.921) 13.558 13.887 ( -14.462 -21.060 13.876) 29.072 13.887 ( -14.462 21.060 13.876) 29.072 14.766 ( -1.705 -1.837 17.403) 17.582 14.766 ( -1.705 1.837 17.403) 17.582 15.204 ( 8.689 -10.006 -0.910) 13.284 15.204 ( 8.689 10.006 -0.910) 13.284 15.473 ( 8.685 -12.124 3.979) 15.435 15.473 ( 8.685 12.124 3.979) 15.435 16.130 ( 1.233 -6.929 -23.950) 24.962 16.130 ( 1.233 6.929 -23.950) 24.962 16.705 ( 1.195 -1.817 -9.993) 10.227 16.705 ( 1.195 1.817 -9.993) 10.227 17.255 ( -0.081 -9.207 -23.844) 25.560 17.255 ( -0.081 9.207 -23.844) 25.560 17.604 ( -4.194 -16.425 7.202) 18.419 17.604 ( -4.194 16.425 7.202) 18.419 17.862 ( -2.675 -2.406 -0.748) 3.675 17.862 ( -2.675 2.406 -0.748) 3.675 18.164 ( 0.040 -4.458 -7.285) 8.541 18.164 ( 0.040 4.458 -7.285) 8.541 18.589 ( 7.828 -3.171 -8.362) 11.886 18.589 ( 7.828 3.171 -8.362) 11.886 19.284 ( 5.605 -9.158 8.368) 13.614 19.284 ( 5.605 9.158 8.368) 13.614 20.393 ( -0.903 -13.978 5.524) 15.057 20.393 ( -0.903 13.978 5.524) 15.057 20.642 ( -9.474 -4.825 5.480) 11.961 20.642 ( -9.474 4.825 5.480) 11.961 21.934 ( 3.941 -7.326 -1.469) 8.447 21.934 ( 3.941 7.326 -1.469) 8.447 22.462 ( 1.174 -2.935 -18.090) 18.364 22.462 ( 1.174 2.935 -18.090) 18.364 24.293 ( 2.529 -0.407 -1.131) 2.800 24.293 ( 2.529 0.407 -1.131) 2.800 25.505 ( -0.165 -5.314 -0.051) 5.316 25.505 ( -0.165 5.314 -0.051) 5.316 26.970 ( 4.056 -4.206 -4.142) 7.162 26.970 ( 4.056 4.206 -4.142) 7.162 27.219 ( -0.764 -2.033 -0.226) 2.183 27.219 ( -0.764 2.033 -0.226) 2.183 27.737 ( -6.444 -4.567 1.107) 7.976 27.737 ( -6.444 4.567 1.107) 7.976 27.836 ( -2.020 -2.159 8.519) 9.017 27.836 ( -2.020 2.159 8.519) 9.017 28.511 ( 0.479 -6.641 17.443) 18.671 28.511 ( 0.479 6.641 17.443) 18.671 30.077 ( -2.300 -12.152 -3.587) 12.877 30.077 ( -2.300 12.152 -3.587) 12.877 32.344 ( 0.768 -7.834 -7.245) 10.698 32.344 ( 0.768 7.834 -7.245) 10.698 ======================= Grid point 123 (47/80) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.888 ( -1.534 -21.183 -17.777) 27.697 3.888 ( -1.534 21.183 -17.777) 27.697 4.357 ( 17.375 -29.384 12.207) 36.253 4.357 ( 17.375 29.384 12.207) 36.253 4.829 ( 12.681 -5.859 19.483) 23.973 4.829 ( 12.681 5.859 19.483) 23.973 5.378 ( -10.907 -24.542 23.434) 35.643 5.378 ( -10.907 24.542 23.434) 35.643 5.863 ( -0.097 -2.319 -1.725) 2.892 5.863 ( -0.097 2.319 -1.725) 2.892 6.033 ( -14.224 -12.464 23.928) 30.500 6.033 ( -14.224 12.464 23.928) 30.500 6.664 ( -1.483 -12.721 12.745) 18.068 6.664 ( -1.483 12.721 12.745) 18.068 6.830 ( 10.292 -25.698 19.252) 33.719 6.830 ( 10.292 25.698 19.252) 33.719 7.317 ( 6.632 -7.036 11.125) 14.740 7.317 ( 6.632 7.036 11.125) 14.740 8.392 ( -0.250 -5.108 12.161) 13.192 8.392 ( -0.250 5.108 12.161) 13.192 8.582 ( -1.814 -2.401 7.173) 7.779 8.582 ( -1.814 2.401 7.173) 7.779 8.836 ( 7.092 -2.783 11.188) 13.536 8.836 ( 7.092 2.783 11.188) 13.536 9.296 ( 0.934 -6.629 -9.656) 11.749 9.296 ( 0.934 6.629 -9.656) 11.749 9.641 ( -8.318 -12.630 6.694) 16.539 9.641 ( -8.318 12.630 6.694) 16.539 10.016 ( -9.483 -7.655 -1.882) 12.332 10.016 ( -9.483 7.655 -1.882) 12.332 10.403 ( 5.526 -8.566 5.007) 11.357 10.403 ( 5.526 8.566 5.007) 11.357 10.736 ( 4.521 -12.101 -6.310) 14.376 10.736 ( 4.521 12.101 -6.310) 14.376 10.968 ( 3.454 -10.425 0.615) 10.999 10.968 ( 3.454 10.425 0.615) 10.999 11.269 ( -13.136 -5.667 -10.723) 17.879 11.269 ( -13.136 5.667 -10.723) 17.879 11.394 ( -7.513 -7.787 0.583) 10.836 11.394 ( -7.513 7.787 0.583) 10.836 12.010 ( 2.817 -4.521 -3.943) 6.628 12.010 ( 2.817 4.521 -3.943) 6.628 12.445 ( -2.637 -3.939 -2.927) 5.571 12.445 ( -2.637 3.939 -2.927) 5.571 13.175 ( 7.661 -10.002 3.440) 13.060 13.175 ( 7.661 10.002 3.440) 13.060 13.605 ( -10.419 -19.144 9.500) 23.776 13.605 ( -10.419 19.144 9.500) 23.776 14.760 ( 0.397 -0.832 20.196) 20.217 14.760 ( 0.397 0.832 20.196) 20.217 15.298 ( 2.989 -6.318 -7.975) 10.604 15.298 ( 2.989 6.318 -7.975) 10.604 15.710 ( 9.515 -3.183 4.460) 10.980 15.710 ( 9.515 3.183 4.460) 10.980 16.128 ( -1.564 -6.967 -30.663) 31.484 16.128 ( -1.564 6.967 -30.663) 31.484 16.704 ( -1.431 -1.608 -12.703) 12.884 16.704 ( -1.431 1.608 -12.703) 12.884 17.237 ( -1.061 -12.438 -7.140) 14.381 17.237 ( -1.061 12.438 -7.140) 14.381 17.562 ( 0.506 -17.745 2.163) 17.883 17.562 ( 0.506 17.745 2.163) 17.883 17.835 ( 0.092 -3.707 -5.849) 6.925 17.835 ( 0.092 3.707 -5.849) 6.925 18.143 ( -1.762 -2.537 -8.665) 9.199 18.143 ( -1.762 2.537 -8.665) 9.199 18.829 ( 13.588 -4.971 -1.663) 14.563 18.829 ( 13.588 4.971 -1.663) 14.563 19.331 ( -2.829 -4.087 5.483) 7.400 19.331 ( -2.829 4.087 5.483) 7.400 20.366 ( -1.035 -13.950 8.985) 16.625 20.366 ( -1.035 13.950 8.985) 16.625 20.464 ( -5.869 -11.577 4.852) 13.857 20.464 ( -5.869 11.577 4.852) 13.857 22.036 ( 5.250 -7.989 -0.672) 9.583 22.036 ( 5.250 7.989 -0.672) 9.583 22.447 ( -2.777 -5.851 -16.083) 17.338 22.447 ( -2.777 5.851 -16.083) 17.338 24.346 ( 1.927 -0.686 -1.264) 2.405 24.346 ( 1.927 0.686 -1.264) 2.405 25.530 ( 2.305 -4.565 -4.906) 7.087 25.530 ( 2.305 4.565 -4.906) 7.087 27.022 ( -0.394 -1.887 0.315) 1.953 27.022 ( -0.394 1.887 0.315) 1.953 27.232 ( 2.727 -0.665 -4.044) 4.923 27.232 ( 2.727 0.665 -4.044) 4.923 27.573 ( -7.470 -2.557 -1.832) 8.105 27.573 ( -7.470 2.557 -1.832) 8.105 27.793 ( -1.734 -1.723 7.370) 7.765 27.793 ( -1.734 1.723 7.370) 7.765 28.534 ( 1.332 -3.917 18.364) 18.824 28.534 ( 1.332 3.917 18.364) 18.824 30.023 ( -2.336 -7.030 -0.346) 7.416 30.023 ( -2.336 7.030 -0.346) 7.416 32.361 ( 0.698 -5.078 -5.611) 7.600 32.361 ( 0.698 5.078 -5.611) 7.600 ======================= Grid point 125 (48/80) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( 0.000 0.000 -21.149) 21.149 3.862 ( 0.000 0.000 -21.149) 21.149 4.629 ( 0.000 -0.000 11.434) 11.434 4.629 ( 0.000 0.000 11.434) 11.434 4.976 ( 0.000 0.000 31.833) 31.833 4.976 ( 0.000 0.000 31.833) 31.833 5.248 ( -0.000 -0.000 8.439) 8.439 5.248 ( -0.000 0.000 8.439) 8.439 5.781 ( 0.000 -0.000 33.448) 33.448 5.781 ( -0.000 0.000 33.448) 33.448 5.873 ( 0.000 -0.000 -2.840) 2.840 5.873 ( 0.000 0.000 -2.840) 2.840 6.643 ( -0.000 -0.000 15.616) 15.616 6.643 ( -0.000 0.000 15.616) 15.616 6.971 ( 0.000 -0.000 9.832) 9.832 6.971 ( 0.000 0.000 9.832) 9.832 7.414 ( 0.000 0.000 10.495) 10.495 7.414 ( 0.000 0.000 10.495) 10.495 8.456 ( 0.000 -0.000 11.123) 11.123 8.456 ( 0.000 0.000 11.123) 11.123 8.458 ( -0.000 0.000 15.901) 15.901 8.458 ( -0.000 0.000 15.901) 15.901 9.010 ( 0.000 -0.000 15.366) 15.366 9.010 ( 0.000 0.000 15.366) 15.366 9.180 ( -0.000 -0.000 -4.540) 4.540 9.180 ( -0.000 0.000 -4.540) 4.540 9.657 ( 0.000 -0.000 -6.364) 6.364 9.657 ( 0.000 0.000 -6.364) 6.364 9.826 ( -0.000 0.000 -1.477) 1.477 9.826 ( -0.000 0.000 -1.477) 1.477 10.499 ( -0.000 -0.000 10.889) 10.889 10.499 ( -0.000 0.000 10.889) 10.889 10.791 ( 0.000 0.000 -12.562) 12.562 10.791 ( 0.000 0.000 -12.562) 12.562 11.030 ( -0.000 -0.000 -2.059) 2.059 11.030 ( 0.000 0.000 -2.059) 2.059 11.079 ( -0.000 -0.000 -8.002) 8.002 11.079 ( -0.000 0.000 -8.002) 8.002 11.310 ( 0.000 -0.000 1.748) 1.748 11.310 ( 0.000 0.000 1.748) 1.748 12.072 ( 0.000 -0.000 -1.484) 1.484 12.072 ( 0.000 0.000 -1.484) 1.484 12.382 ( 0.000 0.000 -6.013) 6.013 12.382 ( 0.000 0.000 -6.013) 6.013 13.273 ( 0.000 0.000 12.848) 12.848 13.273 ( 0.000 0.000 12.848) 12.848 13.479 ( 0.000 -0.000 1.770) 1.770 13.479 ( 0.000 0.000 1.770) 1.770 14.766 ( -0.000 -0.000 20.904) 20.904 14.766 ( 0.000 0.000 20.904) 20.904 15.339 ( 0.000 -0.000 -10.829) 10.829 15.339 ( 0.000 0.000 -10.829) 10.829 15.818 ( -0.000 -0.000 10.232) 10.232 15.818 ( -0.000 0.000 10.232) 10.232 16.096 ( 0.000 -0.000 -40.944) 40.944 16.096 ( 0.000 0.000 -40.944) 40.944 16.680 ( 0.000 0.000 -12.187) 12.187 16.680 ( 0.000 0.000 -12.187) 12.187 17.226 ( 0.000 -0.000 0.469) 0.469 17.226 ( 0.000 0.000 0.469) 0.469 17.579 ( 0.000 -0.000 1.707) 1.707 17.579 ( 0.000 0.000 1.707) 1.707 17.841 ( 0.000 0.000 -11.015) 11.015 17.841 ( 0.000 0.000 -11.015) 11.015 18.118 ( 0.000 -0.000 -6.875) 6.875 18.118 ( 0.000 0.000 -6.875) 6.875 19.071 ( 0.000 -0.000 5.413) 5.413 19.071 ( 0.000 0.000 5.413) 5.413 19.206 ( -0.000 -0.000 -2.010) 2.010 19.206 ( -0.000 0.000 -2.010) 2.010 20.374 ( -0.000 -0.000 -0.648) 0.648 20.374 ( -0.000 0.000 -0.648) 0.648 20.387 ( 0.000 -0.000 16.483) 16.483 20.387 ( 0.000 0.000 16.483) 16.483 22.113 ( 0.000 -0.000 1.048) 1.048 22.113 ( 0.000 0.000 1.048) 1.048 22.394 ( -0.000 -0.000 -16.325) 16.325 22.394 ( 0.000 0.000 -16.325) 16.325 24.367 ( 0.000 0.000 -0.870) 0.870 24.367 ( 0.000 0.000 -0.870) 0.870 25.565 ( 0.000 0.000 -7.973) 7.973 25.565 ( 0.000 0.000 -7.973) 7.973 27.000 ( 0.000 -0.000 2.196) 2.196 27.000 ( 0.000 0.000 2.196) 2.196 27.285 ( -0.000 0.000 -5.901) 5.901 27.285 ( 0.000 0.000 -5.901) 5.901 27.477 ( 0.000 0.000 -2.516) 2.516 27.477 ( 0.000 0.000 -2.516) 2.516 27.773 ( 0.000 0.000 6.869) 6.869 27.773 ( 0.000 0.000 6.869) 6.869 28.551 ( 0.000 0.000 18.606) 18.606 28.551 ( 0.000 0.000 18.606) 18.606 29.995 ( 0.000 -0.000 1.057) 1.057 29.995 ( 0.000 0.000 1.057) 1.057 32.369 ( 0.000 0.000 -4.859) 4.859 32.369 ( 0.000 0.000 -4.859) 4.859 ======================= Grid point 147 (49/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 0.000 0.000 37.820) 37.820 3.078 ( 0.000 0.000 49.629) 49.629 3.244 ( 0.000 0.000 15.024) 15.024 4.685 ( 0.000 0.000 34.289) 34.289 5.126 ( 0.000 0.000 -16.556) 16.556 5.312 ( 0.000 0.000 -5.599) 5.599 5.557 ( 0.000 0.000 -14.494) 14.494 5.823 ( 0.000 0.000 0.576) 0.576 5.906 ( 0.000 0.000 -2.857) 2.857 6.338 ( 0.000 0.000 -21.729) 21.729 6.464 ( 0.000 0.000 73.311) 73.311 6.867 ( 0.000 0.000 -1.655) 1.655 7.076 ( 0.000 0.000 -11.486) 11.486 7.461 ( 0.000 0.000 9.820) 9.820 7.504 ( 0.000 0.000 8.767) 8.767 7.671 ( 0.000 0.000 -10.942) 10.942 7.809 ( 0.000 0.000 12.385) 12.385 7.977 ( 0.000 0.000 30.156) 30.156 8.070 ( 0.000 0.000 8.016) 8.016 8.300 ( 0.000 0.000 9.495) 9.495 8.519 ( 0.000 0.000 20.624) 20.624 8.556 ( 0.000 0.000 20.904) 20.904 8.568 ( 0.000 0.000 -2.606) 2.606 8.961 ( 0.000 0.000 13.068) 13.068 9.098 ( 0.000 0.000 8.763) 8.763 9.491 ( 0.000 0.000 -4.907) 4.907 9.720 ( 0.000 0.000 8.361) 8.361 9.921 ( 0.000 0.000 -1.471) 1.471 9.969 ( 0.000 0.000 -7.135) 7.135 10.186 ( 0.000 0.000 4.173) 4.173 10.467 ( 0.000 0.000 15.258) 15.258 10.553 ( 0.000 0.000 -25.760) 25.760 10.604 ( 0.000 0.000 -1.428) 1.428 10.758 ( 0.000 0.000 13.317) 13.317 10.761 ( 0.000 0.000 -4.876) 4.876 11.019 ( 0.000 0.000 -8.812) 8.812 11.232 ( 0.000 0.000 0.346) 0.346 11.462 ( 0.000 0.000 -14.820) 14.820 11.479 ( 0.000 0.000 -14.769) 14.769 11.641 ( 0.000 0.000 37.917) 37.917 11.728 ( 0.000 0.000 10.594) 10.594 11.890 ( 0.000 0.000 3.728) 3.728 12.410 ( 0.000 0.000 -29.823) 29.823 12.721 ( 0.000 0.000 9.478) 9.478 13.110 ( 0.000 0.000 18.527) 18.527 13.178 ( 0.000 0.000 2.389) 2.389 13.482 ( 0.000 0.000 -11.880) 11.880 14.004 ( 0.000 0.000 11.583) 11.583 14.412 ( 0.000 0.000 10.082) 10.082 14.892 ( 0.000 0.000 -13.895) 13.895 15.095 ( 0.000 0.000 2.787) 2.787 15.416 ( 0.000 0.000 -43.210) 43.210 15.499 ( 0.000 0.000 16.086) 16.086 15.548 ( 0.000 0.000 31.293) 31.293 16.023 ( 0.000 0.000 4.145) 4.145 16.222 ( 0.000 0.000 3.358) 3.358 16.311 ( 0.000 0.000 -14.162) 14.162 16.388 ( 0.000 0.000 -11.752) 11.752 16.698 ( 0.000 0.000 -16.736) 16.736 16.853 ( 0.000 0.000 -2.820) 2.820 17.298 ( 0.000 0.000 -7.604) 7.604 17.346 ( 0.000 0.000 -11.590) 11.590 17.735 ( 0.000 0.000 -25.557) 25.557 18.134 ( 0.000 0.000 -19.617) 19.617 18.166 ( 0.000 0.000 9.144) 9.144 18.216 ( 0.000 0.000 -3.473) 3.473 18.539 ( 0.000 0.000 -4.465) 4.465 18.624 ( 0.000 0.000 14.712) 14.712 19.135 ( 0.000 0.000 -6.967) 6.967 19.291 ( 0.000 0.000 -9.024) 9.024 19.556 ( 0.000 0.000 7.892) 7.892 20.722 ( 0.000 0.000 -20.252) 20.252 20.918 ( 0.000 0.000 10.728) 10.728 21.059 ( 0.000 0.000 9.545) 9.545 21.689 ( 0.000 0.000 14.138) 14.138 21.841 ( 0.000 0.000 10.148) 10.148 22.102 ( 0.000 0.000 -9.817) 9.817 22.350 ( 0.000 0.000 -17.937) 17.937 24.529 ( 0.000 0.000 0.627) 0.627 24.566 ( 0.000 0.000 -0.380) 0.380 25.197 ( 0.000 0.000 1.027) 1.027 25.330 ( 0.000 0.000 -3.116) 3.116 26.897 ( 0.000 0.000 2.106) 2.106 26.958 ( 0.000 0.000 0.941) 0.941 26.974 ( 0.000 0.000 -3.730) 3.730 27.043 ( 0.000 0.000 -1.269) 1.269 27.838 ( 0.000 0.000 2.564) 2.564 27.838 ( 0.000 0.000 4.684) 4.684 27.845 ( 0.000 0.000 1.342) 1.342 28.157 ( 0.000 0.000 -0.653) 0.653 28.765 ( 0.000 0.000 9.465) 9.465 28.869 ( 0.000 0.000 6.022) 6.022 29.939 ( 0.000 0.000 9.949) 9.949 30.719 ( 0.000 0.000 -12.189) 12.189 31.832 ( 0.000 0.000 7.952) 7.952 32.367 ( 0.000 0.000 -9.381) 9.381 ======================= Grid point 148 (50/80) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 16.326 0.000 34.531) 38.196 3.235 ( 12.804 0.000 42.475) 44.363 3.351 ( 10.514 0.000 18.857) 21.590 4.549 ( -8.467 0.000 23.757) 25.221 5.116 ( -4.195 0.000 -15.601) 16.155 5.396 ( 7.570 0.000 -4.743) 8.933 5.639 ( -16.769 0.000 -1.581) 16.843 5.704 ( 7.712 0.000 -5.839) 9.673 5.923 ( 5.320 0.000 0.090) 5.321 6.304 ( -4.025 0.000 -20.446) 20.839 6.600 ( 12.251 0.000 74.155) 75.160 6.903 ( 2.934 0.000 -4.390) 5.280 6.973 ( -9.468 0.000 -17.070) 19.520 7.325 ( -13.953 0.000 13.645) 19.516 7.374 ( -5.430 0.000 20.970) 21.662 7.585 ( 9.348 0.000 2.986) 9.813 7.856 ( -3.483 0.000 17.228) 17.576 8.096 ( 8.292 0.000 19.641) 21.320 8.118 ( -11.262 0.000 12.014) 16.467 8.357 ( 19.416 0.000 -2.804) 19.618 8.486 ( -8.473 0.000 15.006) 17.233 8.611 ( 11.182 0.000 4.915) 12.214 8.916 ( -3.057 0.000 14.683) 14.998 8.930 ( 19.296 0.000 1.561) 19.359 9.172 ( 5.027 0.000 9.907) 11.110 9.427 ( -4.583 0.000 -5.297) 7.004 9.625 ( -3.614 0.000 1.845) 4.058 9.881 ( -3.313 0.000 4.418) 5.522 9.923 ( -7.907 0.000 -5.608) 9.694 10.227 ( 1.371 0.000 5.040) 5.223 10.338 ( -7.674 0.000 1.974) 7.923 10.372 ( -7.252 0.000 -16.233) 17.779 10.669 ( -4.015 0.000 24.161) 24.492 10.703 ( 0.343 0.000 -8.114) 8.121 10.834 ( 2.658 0.000 1.911) 3.274 11.029 ( -3.800 0.000 -2.684) 4.652 11.152 ( 0.790 0.000 4.850) 4.914 11.375 ( -0.989 0.000 -6.578) 6.652 11.643 ( -1.338 0.000 17.666) 17.716 11.685 ( 12.193 0.000 -17.342) 21.200 11.874 ( 1.044 0.000 3.287) 3.449 11.968 ( 16.116 0.000 -3.764) 16.550 12.458 ( 1.168 0.000 -20.748) 20.781 12.546 ( -11.398 0.000 9.721) 14.980 13.042 ( -10.803 0.000 3.674) 11.411 13.257 ( 8.897 0.000 14.967) 17.412 13.453 ( -2.683 0.000 -17.405) 17.611 13.995 ( 0.375 0.000 6.625) 6.635 14.328 ( -5.604 0.000 9.333) 10.887 14.918 ( -8.805 0.000 -0.404) 8.814 15.055 ( 11.837 0.000 -8.358) 14.490 15.440 ( -5.273 0.000 11.258) 12.431 15.446 ( -3.170 0.000 28.180) 28.358 15.527 ( -1.978 0.000 -43.760) 43.805 15.899 ( -7.050 0.000 9.832) 12.098 16.120 ( -5.685 0.000 -0.718) 5.730 16.462 ( 7.803 0.000 -7.268) 10.664 16.464 ( 2.467 0.000 -19.932) 20.084 16.726 ( 2.492 0.000 -9.016) 9.354 16.851 ( -0.394 0.000 1.006) 1.080 17.379 ( 8.128 0.000 -5.078) 9.584 17.397 ( 6.775 0.000 -5.519) 8.738 17.775 ( 3.391 0.000 -26.648) 26.863 18.149 ( 0.563 0.000 -26.572) 26.578 18.259 ( 7.904 0.000 5.564) 9.666 18.272 ( 5.008 0.000 3.809) 6.293 18.559 ( 1.535 0.000 -3.909) 4.200 18.634 ( 1.531 0.000 10.782) 10.890 19.154 ( 1.247 0.000 -4.975) 5.128 19.284 ( -0.777 0.000 -6.093) 6.143 19.509 ( -4.460 0.000 9.118) 10.150 20.289 ( -28.245 0.000 1.646) 28.293 21.042 ( -1.292 0.000 7.792) 7.898 21.046 ( 3.430 0.000 -2.241) 4.098 21.667 ( -1.615 0.000 12.677) 12.780 21.806 ( -2.920 0.000 6.680) 7.291 22.180 ( 5.801 0.000 -11.254) 12.661 22.367 ( 1.315 0.000 -17.625) 17.674 24.510 ( -1.204 0.000 0.319) 1.245 24.543 ( -1.789 0.000 -0.552) 1.872 25.370 ( 13.387 0.000 -2.615) 13.640 25.401 ( 6.180 0.000 -2.187) 6.556 26.882 ( -1.753 0.000 2.408) 2.978 26.889 ( -2.890 0.000 0.163) 2.895 27.071 ( 5.071 0.000 -2.471) 5.641 27.090 ( 3.830 0.000 -1.548) 4.131 27.644 ( -11.674 0.000 2.145) 11.870 27.766 ( -7.243 0.000 1.078) 7.322 27.905 ( 1.908 0.000 3.364) 3.867 28.072 ( -4.555 0.000 -0.218) 4.560 28.903 ( 10.340 0.000 9.601) 14.110 28.975 ( 8.079 0.000 6.350) 10.276 29.915 ( -1.919 0.000 9.490) 9.683 30.577 ( -12.292 0.000 -7.800) 14.558 31.870 ( 3.621 0.000 6.690) 7.607 32.334 ( -2.956 0.000 -8.352) 8.860 ======================= Grid point 149 (51/80) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( 17.655 0.000 26.646) 31.964 3.475 ( 8.552 0.000 22.432) 24.007 3.748 ( 24.891 0.000 29.570) 38.652 4.442 ( -0.068 0.000 16.109) 16.109 4.867 ( -18.975 0.000 -3.890) 19.370 5.161 ( -25.725 0.000 -1.017) 25.745 5.614 ( 12.017 0.000 -2.970) 12.379 5.778 ( 3.221 0.000 3.424) 4.701 6.086 ( 1.324 0.000 -4.857) 5.034 6.149 ( -9.536 0.000 -10.427) 14.130 6.807 ( 1.343 0.000 -12.332) 12.405 6.957 ( 1.108 0.000 -10.644) 10.702 6.983 ( 20.194 0.000 65.269) 68.322 7.222 ( 3.507 0.000 15.723) 16.109 7.349 ( 3.604 0.000 19.699) 20.026 7.730 ( -7.736 0.000 26.821) 27.914 7.844 ( -8.829 0.000 2.628) 9.212 7.882 ( 12.100 0.000 6.316) 13.650 8.126 ( -18.703 0.000 25.555) 31.668 8.307 ( 4.146 0.000 7.791) 8.825 8.737 ( 15.421 0.000 -7.922) 17.337 8.764 ( -0.347 0.000 10.563) 10.569 8.782 ( -9.678 0.000 10.321) 14.149 9.207 ( -1.248 0.000 7.493) 7.596 9.323 ( 16.263 0.000 -7.011) 17.710 9.408 ( 4.219 0.000 -0.679) 4.273 9.636 ( 0.854 0.000 -0.767) 1.148 9.749 ( -3.164 0.000 -4.459) 5.468 9.795 ( -4.365 0.000 11.792) 12.574 10.070 ( -12.067 0.000 -7.669) 14.298 10.216 ( -1.572 0.000 -5.271) 5.501 10.429 ( 6.708 0.000 -3.463) 7.549 10.566 ( -10.718 0.000 -3.393) 11.243 10.577 ( -4.018 0.000 26.208) 26.514 10.925 ( -1.845 0.000 8.786) 8.977 10.927 ( 5.705 0.000 4.366) 7.184 11.229 ( 0.114 0.000 7.838) 7.839 11.337 ( -5.555 0.000 0.607) 5.588 11.709 ( 11.626 0.000 -3.503) 12.143 11.912 ( 7.870 0.000 -20.441) 21.904 11.938 ( 3.866 0.000 -2.862) 4.810 12.146 ( -0.744 0.000 -7.416) 7.454 12.385 ( -7.396 0.000 -12.200) 14.267 12.468 ( -0.977 0.000 1.138) 1.500 12.764 ( -5.902 0.000 -6.332) 8.656 13.309 ( -11.480 0.000 -21.006) 23.938 13.484 ( 12.323 0.000 22.525) 25.676 14.018 ( -5.000 0.000 24.185) 24.696 14.298 ( 9.701 0.000 -16.065) 18.767 14.840 ( 0.102 0.000 -0.830) 0.837 15.230 ( -14.405 0.000 -9.540) 17.278 15.286 ( -7.495 0.000 9.868) 12.391 15.291 ( 7.716 0.000 -8.519) 11.494 15.482 ( -2.348 0.000 -7.339) 7.706 15.821 ( 0.327 0.000 12.652) 12.657 16.005 ( -5.239 0.000 -2.625) 5.860 16.476 ( 0.174 0.000 -18.818) 18.819 16.536 ( -0.427 0.000 -6.049) 6.064 16.768 ( 1.233 0.000 -5.551) 5.686 16.828 ( -1.632 0.000 -0.221) 1.647 17.609 ( 10.968 0.000 -1.053) 11.019 17.638 ( 12.015 0.000 1.168) 12.072 17.875 ( 6.277 0.000 -26.363) 27.100 18.129 ( -2.724 0.000 -25.290) 25.437 18.411 ( 7.622 0.000 3.575) 8.419 18.464 ( 10.463 0.000 1.844) 10.624 18.587 ( 0.711 0.000 -3.111) 3.191 18.696 ( 3.026 0.000 3.513) 4.637 19.175 ( 1.144 0.000 -2.706) 2.937 19.253 ( -2.053 0.000 0.611) 2.142 19.371 ( -7.541 0.000 12.328) 14.452 19.699 ( -24.592 0.000 8.675) 26.078 21.019 ( -0.535 0.000 5.311) 5.338 21.059 ( -1.277 0.000 1.253) 1.789 21.646 ( 0.139 0.000 8.512) 8.513 21.737 ( -3.185 0.000 2.122) 3.827 22.299 ( 4.774 0.000 -13.380) 14.207 22.390 ( 0.456 0.000 -16.948) 16.954 24.491 ( -0.483 0.000 -0.362) 0.604 24.507 ( -1.367 0.000 -0.721) 1.546 25.564 ( 8.285 0.000 -0.692) 8.314 25.637 ( 9.203 0.000 -4.519) 10.252 26.813 ( -4.156 0.000 2.104) 4.658 26.828 ( -3.145 0.000 0.484) 3.182 27.165 ( 3.287 0.000 -2.434) 4.091 27.173 ( 3.137 0.000 -2.125) 3.789 27.445 ( -5.170 0.000 0.155) 5.172 27.569 ( -9.120 0.000 -1.993) 9.335 27.948 ( 2.191 0.000 3.525) 4.151 28.018 ( -1.208 0.000 1.720) 2.102 29.121 ( 8.709 0.000 8.961) 12.496 29.143 ( 6.618 0.000 6.872) 9.540 29.883 ( 0.041 0.000 8.440) 8.440 30.259 ( -15.727 0.000 0.330) 15.730 31.979 ( 6.227 0.000 3.000) 6.912 32.246 ( -5.202 0.000 -5.517) 7.582 ======================= Grid point 150 (52/80) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( -2.834 0.000 20.983) 21.174 3.556 ( 2.834 0.000 20.983) 21.174 4.315 ( -25.524 0.000 18.288) 31.399 4.315 ( 25.524 0.000 18.288) 31.399 4.666 ( -16.418 0.000 5.449) 17.299 4.666 ( 16.418 0.000 5.449) 17.299 5.840 ( -3.816 0.000 0.113) 3.818 5.840 ( 3.816 0.000 0.113) 3.818 5.991 ( -0.154 0.000 -3.598) 3.601 5.991 ( 0.154 0.000 -3.598) 3.601 6.918 ( -5.003 0.000 -15.763) 16.538 6.918 ( 5.003 0.000 -15.763) 16.538 7.312 ( -2.545 0.000 28.071) 28.187 7.312 ( 2.545 0.000 28.071) 28.187 7.605 ( -9.947 0.000 25.908) 27.752 7.605 ( 9.947 0.000 25.908) 27.752 7.645 ( -10.495 0.000 26.358) 28.371 7.645 ( 10.495 0.000 26.358) 28.371 8.232 ( -13.985 0.000 -0.020) 13.985 8.232 ( 13.985 0.000 -0.020) 13.985 8.678 ( -3.485 0.000 14.020) 14.447 8.678 ( 3.485 0.000 14.020) 14.447 9.042 ( -12.270 0.000 -2.398) 12.502 9.042 ( 12.270 0.000 -2.398) 12.502 9.531 ( -2.971 0.000 -1.503) 3.329 9.531 ( 2.971 0.000 -1.503) 3.329 9.697 ( -5.256 0.000 8.399) 9.908 9.697 ( 5.256 0.000 8.399) 9.908 9.798 ( -10.742 0.000 -7.743) 13.242 9.798 ( 10.742 0.000 -7.743) 13.242 10.315 ( -8.933 0.000 -7.401) 11.601 10.315 ( 8.933 0.000 -7.401) 11.601 10.531 ( -0.631 0.000 13.992) 14.006 10.531 ( 0.631 0.000 13.992) 14.006 10.993 ( -3.782 0.000 -0.847) 3.876 10.993 ( 3.782 0.000 -0.847) 3.876 11.185 ( -1.531 0.000 15.372) 15.448 11.185 ( 1.531 0.000 15.372) 15.448 11.996 ( -0.365 0.000 -15.411) 15.415 11.996 ( 0.365 0.000 -15.411) 15.415 12.100 ( -20.589 0.000 -7.589) 21.943 12.100 ( 20.589 0.000 -7.589) 21.943 12.212 ( -5.606 0.000 -5.980) 8.197 12.212 ( 5.606 0.000 -5.980) 8.197 12.999 ( -16.366 0.000 -15.789) 22.741 12.999 ( 16.366 0.000 -15.789) 22.741 13.776 ( -14.181 0.000 26.519) 30.072 13.776 ( 14.181 0.000 26.519) 30.072 14.666 ( -18.585 0.000 -18.581) 26.281 14.666 ( 18.585 0.000 -18.581) 26.281 15.110 ( -5.782 0.000 -5.859) 8.232 15.110 ( 5.782 0.000 -5.859) 8.232 15.420 ( -3.807 0.000 6.090) 7.182 15.420 ( 3.807 0.000 6.090) 7.182 15.892 ( -5.126 0.000 2.817) 5.849 15.892 ( 5.126 0.000 2.817) 5.849 16.500 ( -1.942 0.000 -10.827) 10.999 16.500 ( 1.942 0.000 -10.827) 10.999 16.793 ( -1.397 0.000 -3.350) 3.630 16.793 ( 1.397 0.000 -3.350) 3.630 17.755 ( -1.407 0.000 -0.961) 1.704 17.755 ( 1.407 0.000 -0.961) 1.704 18.031 ( -6.569 0.000 -22.301) 23.249 18.031 ( 6.569 0.000 -22.301) 23.249 18.557 ( -4.505 0.000 -1.183) 4.658 18.557 ( 4.505 0.000 -1.183) 4.658 18.667 ( -6.845 0.000 0.874) 6.900 18.667 ( 6.845 0.000 0.874) 6.900 19.220 ( -0.737 0.000 3.900) 3.969 19.220 ( 0.737 0.000 3.900) 3.969 19.319 ( -8.694 0.000 9.231) 12.681 19.319 ( 8.694 0.000 9.231) 12.681 21.026 ( -1.184 0.000 4.145) 4.311 21.026 ( 1.184 0.000 4.145) 4.311 21.676 ( -2.383 0.000 3.447) 4.190 21.676 ( 2.383 0.000 3.447) 4.190 22.373 ( -2.118 0.000 -15.562) 15.706 22.373 ( 2.118 0.000 -15.562) 15.706 24.489 ( -0.319 0.000 -0.705) 0.773 24.489 ( 0.319 0.000 -0.705) 0.773 25.703 ( -3.039 0.000 -1.435) 3.361 25.703 ( 3.039 0.000 -1.435) 3.361 26.770 ( -1.078 0.000 0.271) 1.112 26.770 ( 1.078 0.000 0.271) 1.112 27.203 ( -0.289 0.000 -2.239) 2.257 27.203 ( 0.289 0.000 -2.239) 2.257 27.432 ( -3.294 0.000 -1.909) 3.807 27.432 ( 3.294 0.000 -1.909) 3.807 27.991 ( -1.610 0.000 3.067) 3.464 27.991 ( 1.610 0.000 3.067) 3.464 29.222 ( -0.081 0.000 7.481) 7.482 29.222 ( 0.081 0.000 7.481) 7.482 29.975 ( -9.374 0.000 6.109) 11.189 29.975 ( 9.374 0.000 6.109) 11.189 32.119 ( -6.490 0.000 -1.486) 6.658 32.119 ( 6.490 0.000 -1.486) 6.658 ======================= Grid point 154 (53/80) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 0.000 22.281 33.835) 40.512 3.037 ( 0.000 -0.092 37.582) 37.582 3.444 ( 0.000 17.818 12.165) 21.575 4.951 ( 0.000 -16.213 -21.974) 27.308 5.000 ( 0.000 16.232 21.403) 26.862 5.344 ( 0.000 10.796 9.133) 14.141 5.363 ( 0.000 -20.056 -15.970) 25.637 5.754 ( 0.000 -5.383 -0.396) 5.398 5.788 ( 0.000 -2.958 -2.410) 3.815 6.317 ( 0.000 -6.357 -1.405) 6.510 6.513 ( 0.000 3.803 69.757) 69.861 6.751 ( 0.000 -9.891 2.909) 10.309 7.058 ( 0.000 -5.686 3.422) 6.637 7.120 ( 0.000 -19.479 -1.328) 19.524 7.430 ( 0.000 3.000 -11.605) 11.986 7.681 ( 0.000 -27.901 2.844) 28.045 7.783 ( 0.000 -0.168 4.348) 4.352 8.002 ( 0.000 1.841 10.088) 10.255 8.076 ( 0.000 11.148 23.264) 25.797 8.290 ( 0.000 13.187 25.401) 28.620 8.506 ( 0.000 1.066 20.135) 20.163 8.623 ( 0.000 1.712 15.900) 15.992 8.723 ( 0.000 9.735 -2.698) 10.102 9.033 ( 0.000 -7.067 -4.618) 8.442 9.208 ( 0.000 6.465 4.170) 7.693 9.229 ( 0.000 -8.956 6.203) 10.895 9.877 ( 0.000 2.803 4.273) 5.110 9.909 ( 0.000 2.025 11.935) 12.106 10.103 ( 0.000 6.618 -10.200) 12.158 10.160 ( 0.000 1.106 11.259) 11.313 10.403 ( 0.000 -1.365 3.642) 3.890 10.428 ( 0.000 -9.530 -0.122) 9.531 10.716 ( 0.000 10.448 -14.390) 17.783 10.751 ( 0.000 -3.380 3.512) 4.874 10.903 ( 0.000 10.703 -2.965) 11.107 11.034 ( 0.000 -0.310 -15.949) 15.952 11.269 ( 0.000 2.284 -0.434) 2.325 11.379 ( 0.000 -9.333 19.410) 21.537 11.436 ( 0.000 -1.553 -11.668) 11.771 11.540 ( 0.000 3.017 2.870) 4.164 11.846 ( 0.000 4.561 9.256) 10.319 11.898 ( 0.000 -0.874 -0.297) 0.923 12.414 ( 0.000 -1.645 -29.523) 29.568 12.740 ( 0.000 0.496 12.836) 12.845 12.929 ( 0.000 -15.501 7.363) 17.161 13.056 ( 0.000 -2.362 10.584) 10.844 13.606 ( 0.000 8.819 1.902) 9.022 14.249 ( 0.000 13.162 -12.973) 18.480 14.441 ( 0.000 7.297 28.009) 28.944 14.837 ( 0.000 1.307 -20.276) 20.318 15.185 ( 0.000 1.399 8.755) 8.866 15.332 ( 0.000 -8.779 -40.749) 41.684 15.457 ( 0.000 -3.097 12.627) 13.001 15.649 ( 0.000 6.947 22.473) 23.522 16.005 ( 0.000 -0.604 10.819) 10.836 16.158 ( 0.000 -5.808 4.032) 7.070 16.355 ( 0.000 2.831 -15.677) 15.930 16.512 ( 0.000 10.987 -4.928) 12.042 16.639 ( 0.000 -4.319 -19.808) 20.273 16.836 ( 0.000 -1.605 -6.841) 7.027 17.280 ( 0.000 -0.077 -5.701) 5.701 17.402 ( 0.000 5.558 -7.385) 9.243 17.747 ( 0.000 1.087 -23.936) 23.960 18.083 ( 0.000 -4.559 7.414) 8.704 18.101 ( 0.000 -2.994 -21.021) 21.233 18.188 ( 0.000 -2.359 -2.607) 3.516 18.491 ( 0.000 -4.483 -5.249) 6.903 18.827 ( 0.000 15.137 14.471) 20.941 18.984 ( 0.000 -10.340 -2.488) 10.635 19.452 ( 0.000 5.721 -2.496) 6.242 19.593 ( 0.000 7.807 2.555) 8.215 20.713 ( 0.000 -1.517 -19.185) 19.245 20.947 ( 0.000 2.314 5.935) 6.370 21.001 ( 0.000 -4.848 9.467) 10.637 21.703 ( 0.000 1.743 11.556) 11.687 21.822 ( 0.000 -1.160 7.196) 7.289 22.115 ( 0.000 0.859 -10.448) 10.483 22.316 ( 0.000 -3.366 -16.280) 16.625 24.449 ( 0.000 -6.299 0.197) 6.302 24.469 ( 0.000 -7.597 -0.381) 7.607 25.289 ( 0.000 7.286 1.667) 7.474 25.415 ( 0.000 6.494 -2.246) 6.871 26.848 ( 0.000 -2.121 0.757) 2.252 26.937 ( 0.000 -2.441 -4.025) 4.707 27.055 ( 0.000 6.426 1.750) 6.660 27.107 ( 0.000 4.697 -0.755) 4.757 27.775 ( 0.000 -2.036 3.441) 3.999 27.860 ( 0.000 1.175 1.550) 1.945 27.923 ( 0.000 3.927 3.116) 5.013 28.119 ( 0.000 -3.366 -0.399) 3.389 28.757 ( 0.000 -0.213 12.021) 12.022 28.880 ( 0.000 0.884 7.615) 7.666 29.909 ( 0.000 -2.324 7.779) 8.119 30.586 ( 0.000 -11.730 -11.065) 16.125 31.900 ( 0.000 5.978 4.968) 7.772 32.351 ( 0.000 -1.563 -9.039) 9.174 ======================= Grid point 155 (54/80) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 11.508 3.028 31.903) 34.050 3.175 ( 12.942 14.254 31.926) 37.282 3.532 ( 7.366 15.885 13.396) 22.046 4.870 ( -5.297 1.230 -4.816) 7.264 4.967 ( -5.069 8.061 2.598) 9.870 5.307 ( 5.407 -10.307 -2.096) 11.826 5.599 ( -6.909 -4.499 1.826) 8.445 5.651 ( 12.166 -3.977 -3.924) 13.388 5.815 ( 0.206 -3.039 1.740) 3.508 6.289 ( -3.793 -2.431 -8.189) 9.346 6.625 ( 9.440 -0.176 63.067) 63.770 6.801 ( 3.307 -6.808 1.440) 7.704 6.930 ( -9.145 -13.495 16.323) 23.069 7.133 ( 1.206 -3.973 -10.218) 11.029 7.331 ( -8.462 3.117 3.256) 9.588 7.552 ( -8.063 -28.352 9.706) 31.034 7.803 ( -1.234 -9.019 16.798) 19.106 7.876 ( 2.042 9.852 8.290) 13.037 8.223 ( -1.233 10.929 21.515) 24.163 8.325 ( 10.444 0.188 11.950) 15.872 8.560 ( 0.725 2.408 7.296) 7.717 8.757 ( 11.574 4.445 12.360) 17.507 8.973 ( 16.002 0.686 -4.733) 16.701 9.011 ( -5.397 2.309 1.876) 6.163 9.172 ( 2.956 -1.667 4.107) 5.328 9.210 ( -1.124 -5.467 5.171) 7.609 9.820 ( -1.626 8.929 5.602) 10.666 9.899 ( -9.833 5.545 0.921) 11.326 10.020 ( 2.071 -1.962 6.295) 6.911 10.142 ( -8.190 0.575 2.174) 8.493 10.318 ( -6.683 -1.571 -8.310) 10.779 10.385 ( -0.295 -0.601 5.188) 5.231 10.707 ( -1.176 -6.577 1.742) 6.905 10.793 ( 1.329 6.471 -2.009) 6.905 10.837 ( -4.423 12.854 3.759) 14.104 10.976 ( -6.546 -2.743 -9.323) 11.718 11.203 ( -0.559 0.038 -1.038) 1.179 11.279 ( -1.222 -3.192 5.990) 6.897 11.543 ( -0.117 -1.084 8.012) 8.086 11.713 ( 13.267 -9.556 -1.398) 16.409 11.875 ( 3.573 3.473 -10.203) 11.355 11.985 ( 6.855 0.573 0.420) 6.892 12.447 ( 1.190 1.052 -16.501) 16.578 12.672 ( -4.872 2.448 4.724) 7.214 12.848 ( -5.842 -9.594 1.897) 11.391 13.204 ( 10.219 -2.849 12.542) 16.427 13.353 ( -16.848 -4.768 -4.598) 18.103 14.268 ( 0.871 20.920 0.624) 20.947 14.431 ( -3.489 6.802 8.474) 11.413 14.966 ( 4.782 0.885 -16.977) 17.660 15.055 ( 1.510 1.329 0.895) 2.201 15.382 ( -6.489 -4.504 8.185) 11.375 15.425 ( 2.284 -3.448 1.357) 4.353 15.522 ( -10.094 -0.568 -22.122) 24.323 15.874 ( -3.892 -1.165 19.970) 20.379 16.236 ( -2.804 7.234 -0.030) 7.758 16.470 ( 5.443 3.453 -12.284) 13.872 16.547 ( 5.013 5.655 -4.147) 8.621 16.689 ( 3.559 -2.749 -11.645) 12.483 16.825 ( 0.991 -1.105 -3.548) 3.846 17.322 ( 4.990 -3.614 -6.929) 9.272 17.445 ( 4.155 4.287 -2.870) 6.624 17.780 ( 2.595 0.316 -23.964) 24.106 18.052 ( 0.268 -7.893 -6.416) 10.175 18.164 ( 5.465 -2.554 -15.647) 16.770 18.255 ( 3.678 -3.693 4.432) 6.841 18.510 ( 1.755 -4.092 -4.638) 6.429 18.882 ( 4.476 15.778 12.363) 20.539 18.990 ( 0.564 -8.297 -1.366) 8.427 19.459 ( -0.327 5.132 0.932) 5.227 19.578 ( -1.103 11.079 1.303) 11.210 20.372 ( -24.044 6.908 -3.446) 25.253 20.948 ( -0.152 -7.371 2.604) 7.819 21.051 ( 0.696 -1.246 3.529) 3.807 21.653 ( -2.312 0.209 7.669) 8.012 21.858 ( 1.109 4.197 6.319) 7.667 22.174 ( 4.460 -0.880 -11.541) 12.404 22.340 ( 1.882 -2.555 -15.884) 16.198 24.434 ( -0.404 -5.490 -0.304) 5.513 24.491 ( 0.637 -5.638 -0.199) 5.677 25.297 ( 3.169 0.372 -2.070) 3.803 25.549 ( 8.842 5.859 -1.036) 10.658 26.820 ( -1.332 -1.074 0.064) 1.712 26.975 ( 1.244 2.214 -0.028) 2.539 27.078 ( 2.602 2.370 -0.561) 3.564 27.135 ( 2.297 3.523 -1.115) 4.351 27.635 ( -10.227 -0.318 1.570) 10.352 27.801 ( -9.240 2.678 1.058) 9.678 27.895 ( 0.337 -1.092 2.283) 2.553 28.057 ( -2.980 -1.246 1.289) 3.478 28.831 ( 6.620 -4.166 10.518) 13.107 29.005 ( 8.207 0.438 9.276) 12.393 29.888 ( -1.491 -1.853 7.248) 7.629 30.476 ( -9.509 -8.893 -7.214) 14.884 31.936 ( 3.404 5.786 4.218) 7.929 32.332 ( -1.869 -0.482 -8.296) 8.518 ======================= Grid point 156 (55/80) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 13.022 -7.613 20.702) 25.614 3.539 ( 17.892 17.885 23.723) 34.681 3.700 ( 8.254 5.965 14.132) 17.419 4.612 ( -20.189 -6.868 -4.762) 21.851 4.938 ( 5.039 30.885 16.420) 35.339 5.419 ( -4.879 5.819 6.158) 9.776 5.518 ( 8.203 -6.071 -7.423) 12.619 5.759 ( 0.642 -0.788 4.998) 5.101 5.912 ( 3.239 -13.209 -1.951) 13.740 6.097 ( -12.211 0.057 -6.694) 13.925 6.739 ( 1.778 -23.351 8.524) 24.921 6.855 ( 3.309 -6.441 -1.039) 7.316 7.026 ( 11.676 4.142 51.991) 53.447 7.035 ( -5.954 4.410 -3.237) 8.086 7.221 ( -0.179 -20.071 1.407) 20.121 7.479 ( 3.374 -12.484 25.866) 28.919 7.769 ( -3.955 -4.977 25.147) 25.938 7.913 ( -3.879 -2.913 21.747) 22.281 8.252 ( 3.125 10.089 12.622) 16.458 8.414 ( 1.927 4.991 1.532) 5.565 8.653 ( 7.283 0.322 -5.372) 9.056 8.824 ( -8.115 5.949 8.811) 13.374 8.941 ( 0.586 7.194 6.945) 10.016 9.078 ( -3.724 -9.976 -1.159) 10.711 9.306 ( 11.948 -6.774 3.446) 14.160 9.439 ( 15.876 6.932 2.074) 17.447 9.690 ( -5.757 1.076 0.367) 5.868 9.799 ( -3.916 5.975 5.931) 9.285 9.990 ( -9.706 13.674 -1.776) 16.862 10.021 ( 2.652 -13.112 -0.331) 13.382 10.078 ( -10.313 1.773 0.787) 10.493 10.453 ( 6.442 -2.524 1.753) 7.138 10.594 ( -15.453 3.703 -3.159) 16.201 10.721 ( -5.083 0.133 1.228) 5.231 10.792 ( 3.815 1.046 12.271) 12.893 10.937 ( 4.706 1.693 2.630) 5.651 11.150 ( -6.523 -0.881 5.137) 8.349 11.322 ( -0.912 -3.029 -2.071) 3.781 11.585 ( 8.693 -10.281 7.041) 15.194 11.912 ( 7.257 -0.243 -3.431) 8.031 12.001 ( 3.068 -3.053 -8.759) 9.770 12.117 ( 6.821 -0.605 -9.272) 11.527 12.456 ( -10.127 -0.711 -11.620) 15.430 12.530 ( 0.832 -0.256 6.383) 6.442 12.678 ( -8.546 10.189 -9.619) 16.413 13.033 ( -10.793 -18.496 -8.421) 23.011 13.500 ( 15.659 -1.004 9.104) 18.141 14.168 ( -12.086 8.126 19.289) 24.170 14.444 ( 8.818 12.413 -14.392) 20.952 14.977 ( 0.650 9.350 -2.367) 9.667 15.108 ( -11.202 -4.106 -14.871) 19.065 15.255 ( -2.419 -2.403 16.598) 16.944 15.357 ( 2.776 -1.941 -22.572) 22.825 15.473 ( 0.068 -1.799 -15.083) 15.191 15.840 ( 0.599 2.307 17.469) 17.631 16.084 ( -8.966 7.815 3.152) 12.304 16.520 ( 2.045 7.391 -10.008) 12.608 16.628 ( 0.166 4.778 -5.374) 7.193 16.742 ( 1.771 -2.388 -6.115) 6.799 16.842 ( -1.182 2.922 2.529) 4.041 17.513 ( 11.040 -8.167 -5.348) 14.737 17.597 ( 8.424 -2.691 1.174) 8.921 17.845 ( 3.643 -2.209 -23.164) 23.552 18.028 ( -3.002 -7.536 -19.708) 21.312 18.330 ( 3.818 -8.927 4.320) 10.627 18.381 ( 12.002 -3.573 -3.328) 12.957 18.554 ( 2.776 -1.000 -2.545) 3.897 18.961 ( 0.022 15.619 6.714) 17.001 19.013 ( 3.158 -5.124 0.674) 6.057 19.397 ( -5.424 4.688 6.748) 9.845 19.561 ( -0.456 16.250 0.270) 16.258 19.866 ( -20.427 14.467 2.418) 25.147 20.952 ( 0.673 -6.274 3.648) 7.289 21.025 ( -2.261 -3.727 4.076) 5.967 21.650 ( 2.175 2.289 3.397) 4.638 21.831 ( -3.525 7.162 3.034) 8.539 22.274 ( 4.461 -2.556 -12.451) 13.470 22.371 ( 0.518 -1.757 -15.243) 15.352 24.437 ( 0.670 -3.893 -0.654) 4.004 24.485 ( -1.015 -3.012 -0.316) 3.194 25.434 ( 8.858 -5.996 -3.419) 11.230 25.688 ( 2.401 -0.643 -1.634) 2.974 26.808 ( 0.403 3.133 0.066) 3.160 26.945 ( -3.703 6.639 3.028) 8.183 27.153 ( 3.495 -0.588 -2.781) 4.505 27.189 ( 2.259 1.121 -1.928) 3.174 27.448 ( -5.412 0.442 -0.371) 5.443 27.570 ( -9.974 -0.043 -2.267) 10.228 27.917 ( 1.641 -2.293 2.608) 3.840 28.012 ( -1.934 -1.029 2.873) 3.613 28.991 ( 7.442 -7.546 10.001) 14.572 29.136 ( 2.975 -4.370 9.830) 11.161 29.881 ( 1.893 0.531 6.335) 6.633 30.230 ( -12.272 -2.793 -0.121) 12.587 32.038 ( 5.730 5.054 1.534) 7.793 32.268 ( -4.036 1.701 -5.829) 7.291 ======================= Grid point 157 (56/80) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.624 ( -6.261 0.031 14.431) 15.731 3.624 ( 6.261 0.031 14.431) 15.731 4.104 ( -24.920 1.381 9.981) 26.880 4.104 ( 24.920 1.381 9.981) 26.880 5.165 ( -14.396 30.575 14.186) 36.651 5.165 ( 14.396 30.575 14.186) 36.651 5.777 ( -12.310 -11.462 -3.039) 17.092 5.777 ( 12.310 -11.462 -3.039) 17.092 5.873 ( -8.945 -4.850 0.852) 10.211 5.873 ( 8.945 -4.850 0.852) 10.211 6.840 ( -6.505 -16.557 -0.313) 17.792 6.840 ( 6.505 -16.557 -0.313) 17.792 7.004 ( -5.789 -11.013 -3.178) 12.841 7.004 ( 5.789 -11.013 -3.178) 12.841 7.552 ( -17.271 -2.685 45.742) 48.967 7.552 ( 17.271 -2.684 45.742) 48.967 7.660 ( -10.267 -3.933 24.059) 26.452 7.660 ( 10.267 -3.933 24.059) 26.452 8.403 ( -7.339 10.690 -2.145) 13.143 8.403 ( 7.339 10.690 -2.145) 13.143 8.709 ( -2.641 2.728 7.793) 8.669 8.709 ( 2.641 2.728 7.793) 8.669 8.978 ( -4.810 -0.604 2.522) 5.464 8.978 ( 4.810 -0.604 2.522) 5.464 9.570 ( -7.918 -7.305 4.918) 11.843 9.570 ( 7.918 -7.305 4.918) 11.843 9.703 ( -8.877 0.485 -7.075) 11.361 9.703 ( 8.877 0.485 -7.075) 11.361 9.854 ( -11.367 10.594 5.048) 16.338 9.854 ( 11.367 10.594 5.048) 16.338 10.253 ( -14.743 -3.693 -1.370) 15.260 10.253 ( 14.743 -3.693 -1.370) 15.260 10.593 ( -5.927 1.512 4.356) 7.509 10.593 ( 5.927 1.512 4.356) 7.509 10.938 ( -8.615 -1.261 0.280) 8.711 10.938 ( 8.615 -1.261 0.280) 8.711 11.152 ( -10.485 -0.536 8.815) 13.708 11.152 ( 10.485 -0.536 8.815) 13.708 11.878 ( -12.673 -12.693 5.824) 18.858 11.878 ( 12.673 -12.693 5.824) 18.858 12.131 ( -11.782 1.915 -12.499) 17.283 12.131 ( 11.782 1.915 -12.499) 17.283 12.344 ( -10.548 9.835 -10.151) 17.635 12.344 ( 10.548 9.835 -10.151) 17.635 12.807 ( -11.349 -10.571 -8.543) 17.707 12.807 ( 11.349 -10.571 -8.543) 17.707 13.852 ( -16.447 2.513 15.491) 22.733 13.852 ( 16.447 2.513 15.491) 22.733 14.728 ( -16.029 6.641 -16.037) 23.627 14.728 ( 16.029 6.641 -16.037) 23.627 15.128 ( -6.638 0.365 -1.792) 6.885 15.128 ( 6.638 0.365 -1.792) 6.885 15.450 ( -2.596 -0.045 -11.505) 11.794 15.450 ( 2.596 -0.045 -11.505) 11.794 15.914 ( -6.215 4.213 9.555) 12.152 15.914 ( 6.215 4.213 9.555) 12.152 16.581 ( -3.318 7.455 -6.715) 10.568 16.581 ( 3.318 7.455 -6.715) 10.568 16.790 ( -2.786 0.165 -0.238) 2.801 16.790 ( 2.786 0.165 -0.238) 2.801 17.678 ( -2.458 -6.781 -1.656) 7.401 17.678 ( 2.458 -6.781 -1.656) 7.401 17.940 ( -4.843 -5.439 -21.473) 22.675 17.940 ( 4.843 -5.439 -21.473) 22.675 18.425 ( -4.487 -12.009 2.927) 13.150 18.425 ( 4.487 -12.009 2.927) 13.150 18.781 ( -14.028 9.294 -1.888) 16.933 18.781 ( 14.028 9.294 -1.888) 16.933 19.203 ( -11.973 1.459 6.328) 13.621 19.203 ( 11.973 1.459 6.328) 13.621 19.596 ( -5.340 19.640 2.267) 20.479 19.596 ( 5.340 19.640 2.267) 20.479 20.979 ( -1.818 -4.718 4.591) 6.829 20.979 ( 1.818 -4.718 4.591) 6.829 21.732 ( -4.946 5.376 1.940) 7.558 21.732 ( 4.946 5.376 1.940) 7.558 22.351 ( -2.451 -2.208 -14.017) 14.400 22.351 ( 2.451 -2.208 -14.017) 14.400 24.459 ( -1.249 -2.719 -0.624) 3.057 24.459 ( 1.249 -2.719 -0.624) 3.057 25.625 ( -7.472 -6.220 -2.231) 9.975 25.625 ( 7.472 -6.220 -2.231) 9.975 26.854 ( -3.889 6.738 1.132) 7.862 26.854 ( 3.889 6.738 1.132) 7.862 27.205 ( -1.054 0.120 -2.561) 2.772 27.205 ( 1.054 0.120 -2.561) 2.772 27.426 ( -3.102 -0.461 -2.096) 3.772 27.426 ( 3.102 -0.461 -2.096) 3.772 27.964 ( -2.492 -2.480 2.940) 4.583 27.964 ( 2.492 -2.480 2.940) 4.583 29.120 ( -4.012 -8.263 9.729) 13.380 29.120 ( 4.012 -8.263 9.729) 13.380 29.996 ( -8.780 1.491 4.580) 10.015 29.996 ( 8.780 1.491 4.580) 10.015 32.163 ( -5.650 3.685 -2.206) 7.098 32.163 ( 5.650 3.685 -2.206) 7.098 ======================= Grid point 161 (57/80) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 0.000 16.938 12.572) 21.094 3.562 ( 0.000 29.467 25.305) 38.841 3.896 ( 0.000 22.072 5.815) 22.825 4.455 ( 0.000 -29.733 -23.569) 37.942 4.897 ( 0.000 -19.790 -10.645) 22.472 4.902 ( 0.000 -15.943 6.624) 17.264 5.665 ( 0.000 -1.025 -0.599) 1.187 5.784 ( 0.000 0.181 -2.222) 2.229 5.959 ( 0.000 30.082 17.933) 35.021 6.134 ( 0.000 -7.641 14.493) 16.384 6.403 ( 0.000 -12.755 16.098) 20.538 6.724 ( 0.000 10.175 48.801) 49.850 6.829 ( 0.000 -18.321 -5.795) 19.216 6.845 ( 0.000 -3.001 4.279) 5.226 7.030 ( 0.000 -17.577 19.299) 26.104 7.633 ( 0.000 -3.422 4.646) 5.770 7.779 ( 0.000 1.989 18.140) 18.248 8.037 ( 0.000 6.268 -0.613) 6.298 8.304 ( 0.000 8.073 8.334) 11.603 8.368 ( 0.000 -8.785 26.929) 28.326 8.602 ( 0.000 1.799 15.140) 15.246 8.655 ( 0.000 -9.260 -14.009) 16.792 8.749 ( 0.000 13.496 7.156) 15.276 9.063 ( 0.000 -10.604 7.117) 12.771 9.082 ( 0.000 6.174 4.670) 7.741 9.151 ( 0.000 -2.805 13.633) 13.919 9.794 ( 0.000 -5.616 7.887) 9.683 10.003 ( 0.000 2.547 -1.470) 2.941 10.102 ( 0.000 -0.058 -4.832) 4.832 10.230 ( 0.000 4.621 16.771) 17.396 10.463 ( 0.000 3.977 -8.034) 8.965 10.479 ( 0.000 9.395 4.440) 10.391 10.725 ( 0.000 -1.847 10.382) 10.545 10.737 ( 0.000 -7.105 -2.692) 7.598 10.815 ( 0.000 -10.369 -4.347) 11.243 11.145 ( 0.000 -4.675 2.566) 5.333 11.297 ( 0.000 15.886 -19.050) 24.805 11.451 ( 0.000 10.714 -1.444) 10.811 11.531 ( 0.000 7.385 -10.539) 12.869 11.595 ( 0.000 2.211 6.384) 6.756 11.824 ( 0.000 -5.418 -1.075) 5.523 11.907 ( 0.000 -0.220 -3.228) 3.236 12.288 ( 0.000 -8.434 -21.982) 23.544 12.504 ( 0.000 -15.213 5.656) 16.230 12.908 ( 0.000 5.983 15.030) 16.177 13.038 ( 0.000 -0.208 10.586) 10.588 13.858 ( 0.000 16.069 -0.298) 16.072 14.367 ( 0.000 2.293 -3.896) 4.521 14.740 ( 0.000 10.775 3.320) 11.275 14.916 ( 0.000 2.229 -17.830) 17.969 15.099 ( 0.000 -8.384 -15.858) 17.938 15.139 ( 0.000 -3.982 10.210) 10.959 15.430 ( 0.000 2.521 3.787) 4.549 15.734 ( 0.000 1.480 6.431) 6.599 15.985 ( 0.000 -2.490 13.864) 14.086 15.986 ( 0.000 -10.189 10.829) 14.869 16.399 ( 0.000 1.488 -15.153) 15.226 16.509 ( 0.000 -4.661 -8.788) 9.948 16.766 ( 0.000 5.953 -15.452) 16.559 16.805 ( 0.000 -0.802 -11.471) 11.499 17.424 ( 0.000 15.237 -1.278) 15.290 17.560 ( 0.000 8.061 -2.024) 8.311 17.789 ( 0.000 3.747 -13.869) 14.366 18.026 ( 0.000 -3.439 -21.845) 22.114 18.039 ( 0.000 0.306 2.992) 3.007 18.131 ( 0.000 -2.850 -3.202) 4.286 18.357 ( 0.000 -7.331 -8.349) 11.111 18.688 ( 0.000 -18.087 6.690) 19.284 19.150 ( 0.000 14.027 12.779) 18.975 19.462 ( 0.000 -1.751 6.723) 6.947 19.900 ( 0.000 17.614 -9.395) 19.963 20.591 ( 0.000 -11.238 -15.837) 19.419 20.926 ( 0.000 -0.804 9.570) 9.604 20.981 ( 0.000 0.058 5.252) 5.252 21.775 ( 0.000 4.912 5.232) 7.177 21.830 ( 0.000 2.205 0.231) 2.217 22.118 ( 0.000 -0.800 -12.263) 12.289 22.211 ( 0.000 -6.128 -13.398) 14.733 24.314 ( 0.000 -5.940 -0.318) 5.948 24.317 ( 0.000 -5.398 -0.367) 5.410 25.447 ( 0.000 6.839 2.288) 7.212 25.534 ( 0.000 3.689 -0.315) 3.702 26.826 ( 0.000 -0.023 -0.783) 0.783 26.885 ( 0.000 -2.354 -3.693) 4.379 27.188 ( 0.000 5.371 1.954) 5.716 27.207 ( 0.000 4.064 0.229) 4.070 27.761 ( 0.000 0.986 1.411) 1.722 27.875 ( 0.000 -0.521 0.429) 0.675 27.985 ( 0.000 1.675 3.704) 4.065 28.036 ( 0.000 -3.575 1.850) 4.025 28.778 ( 0.000 2.449 15.379) 15.573 28.890 ( 0.000 -0.475 11.771) 11.781 29.883 ( 0.000 1.235 1.834) 2.211 30.284 ( 0.000 -15.373 -8.429) 17.533 32.051 ( 0.000 7.638 -0.810) 7.681 32.298 ( 0.000 -3.555 -7.849) 8.617 ======================= Grid point 162 (58/80) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( 2.873 13.281 8.779) 16.178 3.717 ( 13.284 28.411 23.986) 39.484 3.875 ( -3.454 10.732 -0.587) 11.290 4.523 ( 7.989 -16.226 -15.687) 23.942 4.940 ( 5.504 -19.782 -0.214) 20.534 5.058 ( 11.081 -11.981 3.205) 16.632 5.566 ( -7.123 2.194 1.626) 7.628 5.779 ( -0.621 0.695 -2.848) 2.997 5.978 ( 0.765 25.937 18.064) 31.617 6.129 ( -0.216 -10.648 10.085) 14.667 6.510 ( 7.137 -13.329 13.541) 20.297 6.669 ( -9.695 -0.457 7.714) 12.398 6.792 ( -3.189 -16.360 -2.680) 16.882 6.895 ( 7.065 6.818 44.073) 45.154 7.044 ( 3.432 -14.439 18.813) 23.963 7.527 ( -8.304 1.316 3.594) 9.144 7.682 ( -6.508 0.738 11.931) 13.611 7.932 ( -5.830 -2.439 21.810) 22.707 8.412 ( 7.312 4.894 3.367) 9.421 8.478 ( 3.670 5.506 17.690) 18.887 8.572 ( 0.252 -0.500 2.682) 2.739 8.735 ( 5.720 -11.387 10.862) 16.745 8.772 ( 4.012 -0.848 -10.194) 10.988 9.024 ( 1.548 -0.165 5.603) 5.815 9.134 ( -1.601 -1.952 11.875) 12.140 9.230 ( 9.802 0.960 8.376) 12.929 9.833 ( -2.837 -4.223 4.980) 7.119 9.966 ( -3.299 2.858 -4.933) 6.587 10.114 ( -6.433 2.082 5.639) 8.804 10.175 ( 4.671 4.772 1.228) 6.789 10.320 ( -9.764 0.202 -11.138) 14.813 10.406 ( -1.772 6.585 13.732) 15.332 10.630 ( -9.935 2.470 4.490) 11.179 10.829 ( 3.741 -8.012 -1.006) 8.899 10.915 ( 8.352 -3.160 4.541) 10.018 11.112 ( -6.941 -0.237 -2.095) 7.254 11.198 ( -3.650 15.303 -6.773) 17.128 11.396 ( -6.618 6.958 0.238) 9.606 11.488 ( 0.362 -7.397 -1.684) 7.595 11.568 ( -1.312 3.170 6.256) 7.135 11.832 ( 1.828 -4.249 -3.846) 6.016 11.994 ( 4.408 -2.799 -4.677) 7.010 12.375 ( 5.891 -8.737 -19.964) 22.574 12.457 ( -3.953 -11.762 -1.843) 12.544 12.900 ( 0.469 7.600 8.620) 11.502 13.152 ( 8.111 -2.608 9.367) 12.662 13.530 ( -19.521 20.086 1.535) 28.051 14.404 ( -8.634 -11.031 -1.661) 14.107 14.721 ( 2.154 19.174 -1.778) 19.377 14.976 ( 7.953 1.473 -21.744) 23.200 15.087 ( 0.545 0.724 8.789) 8.836 15.262 ( 3.936 -7.933 -11.828) 14.776 15.332 ( -4.206 -1.685 -1.253) 4.701 15.514 ( -15.513 -1.112 -9.218) 18.079 15.893 ( 2.277 3.832 25.920) 26.301 16.238 ( 4.690 -6.324 4.904) 9.276 16.485 ( 7.065 -0.742 -4.382) 8.346 16.575 ( 5.063 -4.118 -5.889) 8.790 16.772 ( -1.812 5.083 -9.903) 11.278 16.898 ( 12.096 5.917 -14.099) 19.497 17.334 ( -5.748 10.091 0.120) 11.614 17.591 ( 0.431 8.343 -2.785) 8.806 17.785 ( -0.631 0.687 -12.701) 12.735 17.929 ( -2.791 -3.175 -11.304) 12.068 18.096 ( 2.559 -6.121 -7.877) 10.299 18.141 ( 0.300 -6.676 -4.447) 8.027 18.416 ( 5.768 -2.570 -4.732) 7.891 18.745 ( 5.231 -12.624 5.753) 14.827 19.235 ( 5.675 13.865 9.748) 17.873 19.497 ( 1.732 0.188 6.464) 6.695 19.916 ( 1.285 18.136 -8.041) 19.880 20.500 ( -11.193 1.255 -10.666) 15.512 20.769 ( -4.756 -6.140 6.200) 9.938 20.977 ( -3.669 -5.906 7.453) 10.193 21.726 ( -0.258 6.933 0.201) 6.941 21.958 ( 6.347 4.178 3.360) 8.308 22.127 ( 0.714 -3.289 -13.430) 13.845 22.262 ( 3.590 -4.660 -12.657) 13.957 24.321 ( 1.090 -4.463 -0.682) 4.645 24.350 ( 2.304 -6.178 -0.406) 6.606 25.378 ( -2.873 6.161 -0.422) 6.811 25.597 ( 2.603 -1.339 0.424) 2.958 26.841 ( 2.350 2.581 -1.156) 3.678 26.965 ( 5.648 -2.098 -2.708) 6.605 27.170 ( -1.291 4.798 2.081) 5.386 27.213 ( 0.118 3.076 0.285) 3.091 27.649 ( -8.661 2.023 -0.102) 8.895 27.815 ( -10.373 -3.122 -1.296) 10.910 27.894 ( -2.015 2.677 3.063) 4.540 28.022 ( -1.690 -2.206 3.750) 4.667 28.781 ( 2.290 0.151 13.187) 13.385 28.960 ( 3.319 -4.635 13.259) 14.432 29.886 ( 0.688 2.755 1.952) 3.446 30.247 ( -3.446 -11.845 -5.282) 13.419 32.082 ( 2.792 7.295 -0.807) 7.853 32.302 ( 0.162 -2.552 -7.411) 7.840 ======================= Grid point 163 (59/80) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 7.086 4.018 1.117) 8.223 3.729 ( -9.132 -4.800 -7.883) 12.984 4.075 ( 18.894 28.681 20.192) 39.841 4.712 ( 2.038 15.439 -2.917) 15.843 5.092 ( 10.432 -21.427 8.461) 25.289 5.335 ( 13.857 -5.370 5.908) 15.993 5.454 ( -1.010 -3.869 0.241) 4.006 5.777 ( -0.215 1.897 2.981) 3.540 5.936 ( -4.609 17.467 14.227) 22.995 6.142 ( 2.002 -16.985 5.336) 17.916 6.330 ( -18.673 10.156 8.551) 22.911 6.498 ( -11.511 -27.976 6.152) 30.871 6.806 ( 8.419 -2.634 -3.618) 9.535 7.097 ( 9.304 -7.915 36.343) 38.341 7.238 ( 11.657 -2.797 30.329) 32.612 7.321 ( -7.971 9.981 2.013) 12.931 7.604 ( -2.695 -7.930 13.648) 16.013 7.769 ( -8.657 -8.794 28.042) 30.637 8.497 ( 3.717 5.704 -1.168) 6.908 8.534 ( 3.267 11.582 11.677) 16.768 8.686 ( 5.749 1.406 0.935) 5.991 8.822 ( 5.911 -4.868 5.474) 9.412 8.985 ( 1.499 -3.389 0.937) 3.822 9.075 ( 1.208 4.764 7.608) 9.057 9.114 ( 8.688 -8.377 8.726) 14.893 9.387 ( 3.534 -9.408 5.423) 11.420 9.679 ( -8.129 0.677 2.259) 8.464 9.821 ( -7.890 -0.598 -3.219) 8.543 10.005 ( -8.603 -8.189 -1.406) 11.960 10.024 ( -9.502 4.987 -5.546) 12.079 10.356 ( 3.765 4.114 12.145) 13.364 10.391 ( 4.105 15.188 2.474) 15.926 10.505 ( -2.803 -1.982 2.413) 4.196 10.736 ( -9.387 4.359 -7.019) 12.505 11.016 ( -2.975 5.311 4.284) 7.444 11.091 ( 6.349 6.204 3.200) 9.436 11.119 ( -3.052 -1.057 -4.007) 5.146 11.252 ( -1.098 1.770 15.145) 15.287 11.435 ( -5.044 -2.716 6.676) 8.797 11.651 ( 2.675 -21.740 6.321) 22.798 11.937 ( 9.233 -1.483 -2.885) 9.787 12.050 ( 3.429 -5.784 -4.598) 8.146 12.338 ( -7.435 -4.534 -10.856) 13.917 12.443 ( -1.757 -11.955 -11.301) 16.545 12.914 ( 0.692 11.553 -0.606) 11.590 13.131 ( -10.489 23.936 -5.744) 26.757 13.442 ( 12.884 -3.915 6.547) 14.973 14.118 ( -15.410 -12.793 5.073) 20.661 14.780 ( 4.010 16.317 -9.272) 19.191 15.041 ( -1.502 0.226 -15.031) 15.107 15.164 ( -8.208 4.545 -4.455) 10.387 15.207 ( -4.242 -2.555 3.216) 5.905 15.237 ( 7.217 -6.107 -27.963) 29.518 15.403 ( 0.944 -4.129 -10.336) 11.170 15.958 ( 3.479 8.278 21.523) 23.321 16.192 ( -6.384 0.843 5.936) 8.757 16.598 ( 3.020 -3.984 -0.282) 5.007 16.651 ( 0.578 -5.119 -3.539) 6.250 16.807 ( 5.762 13.513 -2.188) 14.852 17.108 ( -1.970 22.170 3.336) 22.506 17.308 ( 10.269 -10.630 -9.470) 17.554 17.600 ( 0.850 4.098 -3.127) 5.224 17.797 ( 1.706 -2.721 -13.630) 14.003 17.895 ( -1.614 -4.458 -17.154) 17.797 18.084 ( -0.631 -13.276 0.727) 13.311 18.177 ( -0.489 -14.848 -0.490) 14.864 18.635 ( 14.852 7.372 -3.413) 16.929 18.924 ( 11.656 -4.172 2.072) 12.553 19.254 ( -6.074 11.155 3.825) 13.265 19.469 ( -5.851 1.346 5.870) 8.397 19.950 ( 2.300 19.646 -4.079) 20.197 20.206 ( -12.027 15.382 -2.267) 19.657 20.765 ( 2.208 -10.733 3.372) 11.465 20.887 ( -3.713 -9.336 7.293) 12.416 21.773 ( 4.368 9.093 -1.705) 10.231 22.006 ( -2.612 8.987 -1.693) 9.511 22.179 ( 4.509 -6.683 -9.044) 12.115 22.311 ( 0.374 -4.204 -11.646) 12.387 24.355 ( 1.889 -3.280 -0.831) 3.875 24.392 ( 1.119 -4.806 -0.374) 4.948 25.381 ( 3.393 1.072 -3.352) 4.888 25.602 ( -2.427 -6.425 -1.147) 6.963 26.916 ( 4.013 5.956 -0.370) 7.191 27.054 ( 0.100 2.270 2.568) 3.429 27.151 ( 1.311 1.131 -1.860) 2.541 27.213 ( 0.043 0.658 -0.596) 0.888 27.472 ( -6.308 1.930 -1.766) 6.829 27.560 ( -10.659 -1.105 -2.977) 11.122 27.879 ( 0.014 -0.773 2.587) 2.700 27.966 ( -3.266 -3.193 3.491) 5.749 28.863 ( 4.470 -3.707 12.270) 13.574 28.988 ( -0.560 -8.048 12.861) 15.182 29.927 ( 3.256 3.848 3.007) 5.869 30.145 ( -5.685 -5.054 -0.132) 7.608 32.160 ( 4.157 5.831 -1.557) 7.328 32.292 ( -1.303 0.072 -5.722) 5.869 ======================= Grid point 164 (60/80) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( -9.673 -4.427 -5.417) 11.938 3.521 ( 9.673 -4.427 -5.417) 11.938 4.486 ( -18.148 27.264 11.723) 34.787 4.486 ( 18.148 27.264 11.723) 34.787 5.377 ( -9.922 -17.551 0.268) 20.163 5.377 ( 9.922 -17.551 0.268) 20.163 5.640 ( -12.093 3.096 10.842) 16.534 5.640 ( 12.093 3.096 10.842) 16.534 5.980 ( -11.349 14.876 11.085) 21.748 5.980 ( 11.349 14.876 11.085) 21.748 6.243 ( -8.676 -24.759 3.923) 26.527 6.243 ( 8.676 -24.759 3.923) 26.527 7.035 ( -11.199 1.637 -2.571) 11.606 7.035 ( 11.199 1.637 -2.571) 11.606 7.351 ( -7.514 -9.880 31.999) 34.322 7.351 ( 7.514 -9.880 31.999) 34.322 7.612 ( -7.084 -2.853 21.780) 23.080 7.612 ( 7.084 -2.853 21.780) 23.080 8.577 ( -2.305 7.052 -0.060) 7.420 8.577 ( 2.305 7.052 -0.060) 7.420 8.787 ( -8.303 3.026 11.417) 14.438 8.787 ( 8.303 3.026 11.417) 14.438 9.030 ( -6.483 3.329 7.677) 10.585 9.030 ( 6.483 3.329 7.677) 10.585 9.387 ( -8.905 -8.342 1.856) 12.342 9.387 ( 8.905 -8.342 1.856) 12.342 9.609 ( -7.680 -5.097 -5.487) 10.727 9.609 ( 7.680 -5.097 -5.487) 10.727 9.911 ( -3.081 -9.129 2.428) 9.936 9.911 ( 3.081 -9.129 2.428) 9.936 10.411 ( -4.663 18.779 7.658) 20.810 10.411 ( 4.663 18.779 7.658) 20.810 10.562 ( -7.658 -0.216 -7.374) 10.633 10.562 ( 7.658 -0.216 -7.374) 10.633 10.998 ( -3.528 2.982 4.639) 6.547 10.998 ( 3.528 2.982 4.639) 6.547 11.227 ( -6.805 7.526 5.209) 11.405 11.227 ( 6.805 7.526 5.209) 11.405 11.521 ( -11.707 -19.963 13.152) 26.619 11.521 ( 11.707 -19.963 13.152) 26.619 12.146 ( -9.521 -1.670 -7.698) 12.357 12.146 ( 9.521 -1.670 -7.698) 12.357 12.265 ( -13.136 -10.815 -6.238) 18.123 12.265 ( 13.136 -10.815 -6.238) 18.123 12.970 ( -4.965 20.914 -7.009) 22.609 12.970 ( 4.965 20.914 -7.009) 22.609 13.773 ( -16.546 -10.180 5.733) 20.255 13.773 ( 16.546 -10.180 5.733) 20.255 14.907 ( -7.675 7.757 -23.000) 25.458 14.907 ( 7.675 7.757 -23.000) 25.458 15.128 ( -2.576 0.955 2.629) 3.803 15.128 ( 2.576 0.955 2.629) 3.803 15.372 ( -3.972 -5.501 -17.618) 18.879 15.372 ( 3.972 -5.501 -17.618) 18.879 16.051 ( -5.669 6.093 14.111) 16.383 16.051 ( 5.669 6.093 14.111) 16.383 16.638 ( -1.211 -3.502 -2.588) 4.519 16.638 ( 1.211 -3.502 -2.588) 4.519 16.964 ( -8.066 16.561 4.866) 19.053 16.964 ( 8.066 16.561 4.866) 19.053 17.546 ( -7.568 -3.584 -8.440) 11.889 17.546 ( 7.568 -3.584 -8.440) 11.889 17.847 ( -2.844 -4.323 -14.248) 15.158 17.847 ( 2.844 -4.323 -14.248) 15.158 18.118 ( -3.564 -15.495 2.632) 16.116 18.118 ( 3.564 -15.495 2.632) 16.116 18.987 ( -15.925 9.468 -2.692) 18.721 18.987 ( 15.925 9.468 -2.692) 18.721 19.229 ( -14.415 -0.239 4.135) 14.998 19.229 ( 14.415 -0.239 4.135) 14.998 20.032 ( -5.372 19.946 -1.165) 20.689 20.032 ( 5.372 19.946 -1.165) 20.689 20.821 ( -2.742 -10.019 5.745) 11.870 20.821 ( 2.742 -10.019 5.745) 11.870 21.896 ( -6.429 9.629 -2.607) 11.868 21.896 ( 6.429 9.629 -2.607) 11.868 22.274 ( -3.566 -5.306 -9.413) 11.379 22.274 ( 3.566 -5.306 -9.413) 11.379 24.391 ( -1.149 -3.161 -0.518) 3.403 24.391 ( 1.149 -3.161 -0.518) 3.403 25.499 ( -6.429 -4.786 -3.454) 8.728 25.499 ( 6.429 -4.786 -3.454) 8.728 26.996 ( -3.533 5.753 2.526) 7.209 26.996 ( 3.533 5.753 2.526) 7.209 27.202 ( -1.637 -0.593 -2.882) 3.367 27.202 ( 1.637 -0.593 -2.882) 3.367 27.419 ( -1.924 -0.027 -2.666) 3.288 27.419 ( 1.924 -0.027 -2.666) 3.288 27.902 ( -2.236 -2.803 2.823) 4.563 27.902 ( 2.236 -2.803 2.823) 4.563 28.947 ( -3.086 -6.767 12.288) 14.364 28.947 ( 3.086 -6.767 12.288) 14.364 30.022 ( -5.409 0.848 2.826) 6.161 30.022 ( 5.409 0.848 2.826) 6.161 32.243 ( -3.270 3.210 -3.389) 5.700 32.243 ( 3.270 3.210 -3.389) 5.700 ======================= Grid point 168 (61/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( 0.000 -27.205 -9.348) 28.766 3.709 ( 0.000 27.205 -9.348) 28.766 4.152 ( 0.000 -6.360 13.130) 14.589 4.152 ( 0.000 6.360 13.130) 14.589 4.621 ( 0.000 -0.615 -2.753) 2.821 4.621 ( 0.000 0.615 -2.753) 2.821 5.727 ( 0.000 -5.354 -0.641) 5.392 5.727 ( 0.000 5.354 -0.641) 5.392 6.092 ( 0.000 -4.111 16.991) 17.481 6.092 ( 0.000 4.111 16.991) 17.481 6.454 ( 0.000 -12.317 0.950) 12.353 6.454 ( 0.000 12.317 0.950) 12.353 6.835 ( 0.000 -5.528 7.529) 9.340 6.835 ( 0.000 5.528 7.529) 9.340 7.271 ( 0.000 -28.941 43.745) 52.452 7.271 ( 0.000 28.941 43.745) 52.452 7.915 ( 0.000 -11.904 22.760) 25.685 7.915 ( 0.000 11.904 22.760) 25.685 8.332 ( 0.000 -4.263 -15.035) 15.628 8.332 ( 0.000 4.263 -15.035) 15.628 8.599 ( 0.000 -2.009 8.173) 8.416 8.599 ( 0.000 2.009 8.173) 8.416 9.006 ( 0.000 -11.341 9.588) 14.851 9.006 ( 0.000 11.341 9.588) 14.851 9.047 ( 0.000 -5.714 10.960) 12.360 9.047 ( 0.000 5.714 10.960) 12.360 9.860 ( 0.000 -9.732 1.641) 9.870 9.860 ( 0.000 9.732 1.641) 9.870 10.289 ( 0.000 -8.241 5.668) 10.002 10.289 ( 0.000 8.241 5.668) 10.002 10.480 ( 0.000 -7.073 -5.019) 8.673 10.480 ( 0.000 7.073 -5.019) 8.673 10.614 ( 0.000 -3.128 1.801) 3.610 10.614 ( 0.000 3.128 1.801) 3.610 10.936 ( 0.000 -10.418 7.040) 12.574 10.936 ( 0.000 10.418 7.040) 12.574 11.612 ( 0.000 -0.704 -6.808) 6.844 11.612 ( 0.000 0.704 -6.808) 6.844 11.664 ( 0.000 -1.468 1.171) 1.878 11.664 ( 0.000 1.468 1.171) 1.878 11.730 ( 0.000 -10.275 -19.528) 22.066 11.730 ( 0.000 10.275 -19.528) 22.066 12.257 ( 0.000 -6.868 -0.784) 6.913 12.257 ( 0.000 6.868 -0.784) 6.913 13.010 ( 0.000 -3.004 12.326) 12.687 13.010 ( 0.000 3.004 12.326) 12.687 14.234 ( 0.000 -16.238 -4.914) 16.966 14.234 ( 0.000 16.238 -4.914) 16.966 14.839 ( 0.000 -6.330 -14.056) 15.415 14.839 ( 0.000 6.330 -14.056) 15.415 15.088 ( 0.000 -1.662 10.024) 10.161 15.088 ( 0.000 1.662 10.024) 10.161 15.621 ( 0.000 -13.033 -7.112) 14.847 15.621 ( 0.000 13.033 -7.112) 14.847 15.897 ( 0.000 -4.044 20.306) 20.704 15.897 ( 0.000 4.044 20.306) 20.704 16.436 ( 0.000 -2.383 -12.105) 12.337 16.436 ( 0.000 2.383 -12.105) 12.337 16.803 ( 0.000 -0.169 -12.793) 12.794 16.803 ( 0.000 0.169 -12.793) 12.794 17.653 ( 0.000 -1.597 -8.161) 8.316 17.653 ( 0.000 1.597 -8.161) 8.316 17.955 ( 0.000 -6.867 -7.220) 9.964 17.955 ( 0.000 6.867 -7.220) 9.964 18.073 ( 0.000 -2.504 -1.659) 3.003 18.073 ( 0.000 2.504 -1.659) 3.003 18.318 ( 0.000 -10.132 -0.567) 10.148 18.318 ( 0.000 10.132 -0.567) 10.148 19.377 ( 0.000 -7.141 9.257) 11.691 19.377 ( 0.000 7.141 9.257) 11.691 20.276 ( 0.000 -17.367 -12.874) 21.618 20.276 ( 0.000 17.367 -12.874) 21.618 20.951 ( 0.000 -2.171 9.057) 9.314 20.951 ( 0.000 2.171 9.057) 9.314 21.863 ( 0.000 -1.372 -0.666) 1.525 21.863 ( 0.000 1.372 -0.666) 1.525 22.109 ( 0.000 -1.782 -12.998) 13.120 22.109 ( 0.000 1.782 -12.998) 13.120 24.251 ( 0.000 -0.249 -0.444) 0.509 24.251 ( 0.000 0.249 -0.444) 0.509 25.549 ( 0.000 -2.323 1.573) 2.805 25.549 ( 0.000 2.323 1.573) 2.805 26.843 ( 0.000 -1.527 -2.424) 2.865 26.843 ( 0.000 1.527 -2.424) 2.865 27.251 ( 0.000 -0.314 1.481) 1.514 27.251 ( 0.000 0.314 1.481) 1.514 27.818 ( 0.000 -3.905 -0.983) 4.027 27.818 ( 0.000 3.905 -0.983) 4.027 28.000 ( 0.000 -0.342 4.596) 4.609 28.000 ( 0.000 0.342 4.596) 4.609 28.847 ( 0.000 -3.333 15.346) 15.704 28.847 ( 0.000 3.333 15.346) 15.704 30.002 ( 0.000 -10.194 -4.494) 11.141 30.002 ( 0.000 10.194 -4.494) 11.141 32.198 ( 0.000 -5.977 -5.311) 7.996 32.198 ( 0.000 5.977 -5.311) 7.996 ======================= Grid point 170 (62/80) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( -5.304 -22.750 -13.381) 26.921 3.645 ( -5.304 22.750 -13.381) 26.921 4.290 ( 12.924 -18.527 14.707) 26.955 4.290 ( 12.924 18.527 14.707) 26.955 4.755 ( 11.140 -9.063 2.018) 14.502 4.755 ( 11.140 9.063 2.018) 14.502 5.731 ( 0.024 -8.255 -4.108) 9.221 5.731 ( 0.024 8.255 -4.108) 9.221 6.036 ( -5.984 -6.676 16.903) 19.133 6.036 ( -5.984 6.676 16.903) 19.133 6.492 ( 3.175 -9.255 2.981) 10.229 6.492 ( 3.175 9.255 2.981) 10.229 6.828 ( -0.682 -6.696 9.770) 11.864 6.828 ( -0.682 6.696 9.770) 11.864 7.282 ( 0.775 -22.712 36.083) 42.643 7.282 ( 0.775 22.712 36.083) 42.643 7.779 ( -9.842 -8.647 20.520) 24.346 7.779 ( -9.842 8.647 20.520) 24.346 8.451 ( 9.378 -2.892 -4.149) 10.655 8.451 ( 9.378 2.892 -4.149) 10.655 8.568 ( 1.373 -3.612 2.674) 4.699 8.568 ( 1.373 3.612 2.674) 4.699 8.985 ( -3.105 -11.319 10.706) 15.886 8.985 ( -3.105 11.319 10.706) 15.886 9.147 ( 5.920 -7.790 10.528) 14.373 9.147 ( 5.920 7.790 10.528) 14.373 9.854 ( -0.274 -7.644 -2.232) 7.968 9.854 ( -0.274 7.644 -2.232) 7.968 10.208 ( -9.843 -7.885 -2.406) 12.839 10.208 ( -9.843 7.885 -2.406) 12.839 10.419 ( 0.373 -11.084 0.903) 11.127 10.419 ( 0.373 11.084 0.903) 11.127 10.782 ( 6.706 -5.724 11.319) 14.348 10.782 ( 6.706 5.724 11.319) 14.348 10.857 ( -1.586 -11.327 2.159) 11.640 10.857 ( -1.586 11.327 2.159) 11.640 11.432 ( -11.489 -4.513 -5.321) 13.442 11.432 ( -11.489 4.513 -5.321) 13.442 11.598 ( -6.054 -7.933 2.366) 10.256 11.598 ( -6.054 7.933 2.366) 10.256 11.818 ( 4.230 -10.016 -7.730) 13.340 11.818 ( 4.230 10.016 -7.730) 13.340 12.294 ( 2.548 -3.152 -9.368) 10.208 12.294 ( 2.548 3.152 -9.368) 10.208 13.062 ( 4.637 -6.368 8.214) 11.380 13.062 ( 4.637 6.368 8.214) 11.380 14.018 ( -14.749 -23.216 -1.419) 27.541 14.018 ( -14.749 23.216 -1.419) 27.541 14.990 ( 7.336 -5.454 -6.758) 11.368 14.990 ( 7.336 5.454 -6.758) 11.368 15.103 ( 1.756 -4.229 -9.999) 10.997 15.103 ( 1.756 4.229 -9.999) 10.997 15.412 ( -11.067 -7.563 -2.476) 13.631 15.412 ( -11.067 7.563 -2.476) 13.631 16.048 ( 7.109 -9.797 18.723) 22.295 16.048 ( 7.109 9.797 18.723) 22.295 16.501 ( 4.195 -2.375 -6.997) 8.498 16.501 ( 4.195 2.375 -6.997) 8.498 16.871 ( 6.906 -4.865 -12.787) 15.325 16.871 ( 6.906 4.865 -12.787) 15.325 17.636 ( -1.705 -8.317 -5.238) 9.976 17.636 ( -1.705 8.317 -5.238) 9.976 17.892 ( -5.298 -10.562 1.504) 11.912 17.892 ( -5.298 10.562 1.504) 11.912 17.962 ( -4.705 -6.842 -12.500) 15.007 17.962 ( -4.705 6.842 -12.500) 15.007 18.495 ( 12.333 -9.423 -0.227) 15.522 18.495 ( 12.333 9.423 -0.227) 15.522 19.445 ( 3.996 -5.922 7.778) 10.560 19.445 ( 3.996 5.922 7.778) 10.560 20.293 ( 1.257 -16.585 -11.325) 20.122 20.293 ( 1.257 16.585 -11.325) 20.122 20.825 ( -9.202 -7.457 9.123) 14.950 20.825 ( -9.202 7.457 9.123) 14.950 21.905 ( 3.342 -8.392 -2.048) 9.262 21.905 ( 3.342 8.392 -2.048) 9.262 22.152 ( 3.031 -5.269 -11.373) 12.896 22.152 ( 3.031 5.269 -11.373) 12.896 24.275 ( 2.038 -0.599 -0.683) 2.231 24.275 ( 2.038 0.599 -0.683) 2.231 25.513 ( -2.720 -5.906 0.681) 6.537 25.513 ( -2.720 5.906 0.681) 6.537 26.907 ( 5.298 -3.253 -2.254) 6.613 26.907 ( 5.298 3.253 -2.254) 6.613 27.237 ( -1.338 -1.072 1.712) 2.423 27.237 ( -1.338 1.072 1.712) 2.423 27.723 ( -8.346 -4.611 -1.715) 9.688 27.723 ( -8.346 4.611 -1.715) 9.688 27.963 ( -2.984 -3.259 4.109) 6.034 27.963 ( -2.984 3.259 4.109) 6.034 28.843 ( 0.085 -5.254 14.464) 15.389 28.843 ( 0.085 5.254 14.464) 15.389 30.016 ( 0.992 -9.225 -2.349) 9.571 30.016 ( 0.992 9.225 -2.349) 9.571 32.219 ( 1.768 -5.379 -4.987) 7.545 32.219 ( 1.768 5.379 -4.987) 7.545 ======================= Grid point 172 (63/80) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( -4.277 -11.887 -15.856) 20.273 3.532 ( -4.277 11.887 -15.856) 20.273 4.642 ( 17.627 -22.203 15.293) 32.211 4.642 ( 17.627 22.203 15.293) 32.211 5.041 ( 14.500 -15.702 5.185) 21.993 5.041 ( 14.500 15.702 5.185) 21.993 5.659 ( -10.085 -23.593 -2.421) 25.772 5.659 ( -10.085 23.593 -2.421) 25.772 5.883 ( -4.376 -9.389 11.031) 15.132 5.883 ( -4.376 9.389 11.031) 15.132 6.492 ( -5.165 -9.015 13.093) 16.715 6.492 ( -5.165 9.015 13.093) 16.715 6.850 ( 3.706 -11.902 10.147) 16.073 6.850 ( 3.706 11.902 10.147) 16.073 7.301 ( 1.656 -6.303 25.100) 25.932 7.301 ( 1.656 6.303 25.100) 25.932 7.612 ( -5.430 -5.792 13.581) 15.732 7.612 ( -5.430 5.792 13.581) 15.732 8.598 ( 5.188 -4.151 6.300) 9.157 8.598 ( 5.188 4.151 6.300) 9.157 8.750 ( 10.504 -2.679 10.865) 15.348 8.750 ( 10.504 2.679 10.865) 15.348 8.955 ( 2.314 -7.261 0.505) 7.638 8.955 ( 2.314 7.261 0.505) 7.638 9.205 ( 1.437 -7.141 7.378) 10.368 9.205 ( 1.437 7.141 7.378) 10.368 9.778 ( -8.620 -8.696 2.166) 12.435 9.778 ( -8.620 8.696 2.166) 12.435 9.934 ( -14.062 -8.646 -7.322) 18.059 9.934 ( -14.062 8.646 -7.322) 18.059 10.461 ( 3.663 -3.332 -2.962) 5.769 10.461 ( 3.663 3.332 -2.962) 5.769 10.775 ( 1.863 -12.994 9.630) 16.280 10.775 ( 1.863 12.994 9.630) 16.280 11.023 ( 5.533 -18.128 5.576) 19.757 11.023 ( 5.533 18.128 5.576) 19.757 11.192 ( -8.461 -2.666 5.964) 10.689 11.192 ( -8.461 2.666 5.964) 10.689 11.448 ( -6.755 -7.726 6.174) 11.977 11.448 ( -6.755 7.726 6.174) 11.977 11.920 ( 6.288 -4.511 -2.831) 8.240 11.920 ( 6.288 4.511 -2.831) 8.240 12.296 ( -3.511 -1.788 -12.769) 13.363 12.296 ( -3.511 1.788 -12.769) 13.363 13.203 ( 8.450 -12.252 -0.786) 14.904 13.203 ( 8.450 12.252 -0.786) 14.904 13.713 ( -13.191 -23.450 2.389) 27.012 13.713 ( -13.191 23.450 2.389) 27.012 15.014 ( -2.596 -5.688 -20.091) 21.042 15.014 ( -2.596 5.688 -20.091) 21.042 15.157 ( 1.774 -1.995 -10.806) 11.131 15.157 ( 1.774 1.995 -10.806) 11.131 15.293 ( -0.806 -6.641 -4.357) 7.984 15.293 ( -0.806 6.641 -4.357) 7.984 16.125 ( 0.410 -6.493 17.447) 18.621 16.125 ( 0.410 6.493 17.447) 18.621 16.562 ( 1.695 -1.826 0.109) 2.494 16.562 ( 1.695 1.826 0.109) 2.494 17.073 ( 10.058 -11.793 -7.832) 17.366 17.073 ( 10.058 11.793 -7.832) 17.366 17.595 ( -1.292 -18.563 -1.537) 18.671 17.595 ( -1.292 18.563 -1.537) 18.671 17.779 ( -5.491 -9.938 -2.119) 11.550 17.779 ( -5.491 9.938 -2.119) 11.550 17.918 ( 0.337 -4.699 -10.724) 11.713 17.918 ( 0.337 4.699 -10.724) 11.713 18.801 ( 16.105 -7.462 -1.251) 17.794 18.801 ( 16.105 7.462 -1.251) 17.794 19.430 ( -7.070 -5.267 4.176) 9.755 19.430 ( -7.070 5.267 4.176) 9.755 20.313 ( 0.445 -11.158 -7.367) 13.378 20.313 ( 0.445 11.158 -7.367) 13.378 20.672 ( -3.767 -7.802 9.383) 12.771 20.672 ( -3.767 7.802 9.383) 12.771 21.992 ( 4.713 -10.565 -5.838) 12.959 21.992 ( 4.713 10.565 -5.838) 12.959 22.186 ( -0.563 -7.585 -6.794) 10.199 22.186 ( -0.563 7.585 -6.794) 10.199 24.325 ( 2.255 -0.926 -0.768) 2.556 24.325 ( 2.255 0.926 -0.768) 2.556 25.462 ( -1.633 -5.998 -2.022) 6.537 25.462 ( -1.633 5.998 -2.022) 6.537 27.025 ( 4.521 -3.928 -0.446) 6.006 27.025 ( 4.521 3.928 -0.446) 6.006 27.198 ( -1.778 -2.083 0.738) 2.836 27.198 ( -1.778 2.083 0.738) 2.836 27.522 ( -8.538 -2.393 -2.972) 9.351 27.522 ( -8.538 2.393 -2.972) 9.351 27.899 ( -2.570 -2.545 3.196) 4.826 27.899 ( -2.570 2.545 3.196) 4.826 28.858 ( 1.037 -3.338 13.340) 13.791 28.858 ( 1.037 3.338 13.340) 13.791 30.030 ( 0.218 -5.534 0.955) 5.620 30.030 ( 0.218 5.534 0.955) 5.620 32.259 ( 1.679 -3.264 -4.263) 5.626 32.259 ( 1.679 3.264 -4.263) 5.626 ======================= Grid point 174 (64/80) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 0.000 0.000 -15.921) 15.921 3.485 ( 0.000 0.000 -15.921) 15.921 4.887 ( 0.000 -0.000 13.367) 13.367 4.887 ( 0.000 0.000 13.367) 13.367 5.342 ( 0.000 -0.000 8.874) 8.874 5.342 ( 0.000 0.000 8.874) 8.874 5.356 ( -0.000 -0.000 1.474) 1.474 5.356 ( -0.000 0.001 1.474) 1.474 5.860 ( 0.000 -0.000 2.817) 2.817 5.860 ( 0.000 0.000 2.817) 2.817 6.391 ( -0.000 -0.000 20.151) 20.151 6.391 ( 0.000 0.000 20.151) 20.151 6.909 ( 0.000 -0.000 10.492) 10.492 6.909 ( 0.000 0.000 10.492) 10.492 7.348 ( -0.000 -0.000 28.245) 28.245 7.348 ( -0.000 0.000 28.245) 28.245 7.533 ( 0.000 -0.000 0.786) 0.786 7.533 ( 0.000 0.000 0.786) 0.786 8.727 ( 0.000 -0.000 11.965) 11.965 8.727 ( 0.000 0.000 11.965) 11.965 8.750 ( -0.000 -0.000 7.999) 7.999 8.750 ( -0.000 0.000 7.999) 7.999 9.092 ( 0.000 -0.000 4.332) 4.332 9.092 ( 0.000 0.000 4.332) 4.332 9.255 ( -0.000 -0.000 6.935) 6.935 9.255 ( -0.000 0.000 6.935) 6.935 9.595 ( 0.000 -0.000 1.535) 1.535 9.595 ( 0.000 0.000 1.535) 1.535 9.743 ( -0.000 -0.000 -7.356) 7.356 9.743 ( -0.000 0.000 -7.356) 7.356 10.533 ( 0.000 -0.000 -12.297) 12.297 10.533 ( 0.000 0.000 -12.297) 12.297 10.795 ( -0.000 0.000 11.739) 11.739 10.795 ( 0.000 0.000 11.739) 11.739 11.043 ( -0.000 -0.000 3.259) 3.259 11.043 ( -0.000 0.000 3.259) 3.259 11.128 ( -0.000 -0.000 18.440) 18.440 11.128 ( -0.000 0.000 18.440) 18.440 11.371 ( 0.000 -0.000 3.957) 3.957 11.371 ( 0.000 0.000 3.957) 3.957 12.048 ( 0.000 0.000 1.397) 1.397 12.048 ( 0.000 0.000 1.397) 1.397 12.195 ( -0.000 0.000 -13.537) 13.537 12.195 ( 0.000 0.000 -13.537) 13.537 13.370 ( 0.000 0.000 -10.815) 10.815 13.370 ( 0.000 0.000 -10.815) 10.815 13.500 ( -0.000 -0.000 9.002) 9.002 13.500 ( 0.000 0.000 9.002) 9.002 14.979 ( -0.000 0.000 -37.906) 37.906 14.979 ( 0.000 0.000 -37.906) 37.906 15.177 ( 0.000 -0.000 19.817) 19.817 15.177 ( 0.000 0.000 19.817) 19.817 15.290 ( 0.000 0.000 -24.092) 24.092 15.290 ( 0.000 0.000 -24.092) 24.092 16.117 ( 0.000 0.000 16.779) 16.779 16.117 ( 0.000 0.000 16.779) 16.779 16.581 ( 0.000 -0.000 2.674) 2.674 16.581 ( 0.000 0.000 2.674) 2.674 17.203 ( -0.000 0.000 -3.076) 3.076 17.203 ( 0.000 0.000 -3.076) 3.076 17.590 ( -0.000 -0.000 -3.458) 3.458 17.590 ( -0.000 0.000 -3.458) 3.458 17.696 ( 0.000 -0.000 -3.621) 3.621 17.696 ( 0.000 0.000 -3.621) 3.621 17.932 ( 0.000 -0.000 -8.374) 8.374 17.932 ( 0.000 0.000 -8.374) 8.374 19.132 ( 0.000 -0.000 -4.948) 4.948 19.132 ( 0.000 0.000 -4.948) 4.948 19.189 ( -0.000 -0.000 5.528) 5.528 19.189 ( -0.000 0.000 5.528) 5.528 20.317 ( 0.000 0.000 -4.974) 4.974 20.317 ( -0.000 0.000 -4.974) 4.974 20.643 ( 0.000 -0.000 9.236) 9.236 20.643 ( 0.000 0.000 9.236) 9.236 22.074 ( 0.000 -0.000 -14.318) 14.318 22.074 ( 0.000 0.000 -14.318) 14.318 22.150 ( -0.000 -0.000 2.339) 2.339 22.150 ( -0.000 0.000 2.339) 2.339 24.353 ( -0.000 0.000 -0.512) 0.512 24.353 ( 0.000 0.000 -0.512) 0.512 25.446 ( 0.000 0.000 -3.969) 3.969 25.446 ( 0.000 0.000 -3.969) 3.969 27.065 ( 0.000 -0.000 3.891) 3.891 27.065 ( 0.000 0.000 3.891) 3.891 27.188 ( -0.000 0.000 -3.727) 3.727 27.188 ( -0.000 0.000 -3.727) 3.727 27.421 ( 0.000 0.000 -2.908) 2.908 27.421 ( 0.000 0.000 -2.908) 2.908 27.869 ( 0.000 0.000 2.790) 2.790 27.869 ( 0.000 0.000 2.790) 2.790 28.872 ( 0.000 0.000 12.950) 12.950 28.872 ( 0.000 0.000 12.950) 12.950 30.031 ( 0.000 0.000 2.282) 2.282 30.031 ( 0.000 0.000 2.282) 2.282 32.279 ( 0.000 0.000 -3.873) 3.873 32.279 ( 0.000 0.000 -3.873) 3.873 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( 0.000 0.000 19.481) 19.481 3.460 ( 0.000 0.000 4.548) 4.548 4.010 ( 0.000 0.000 42.699) 42.699 4.716 ( 0.000 0.000 -26.977) 26.977 5.200 ( 0.000 0.000 -4.173) 4.173 5.253 ( 0.000 0.000 -11.305) 11.305 5.292 ( 0.000 0.000 28.584) 28.584 5.844 ( 0.000 0.000 -26.799) 26.799 5.859 ( 0.000 0.000 2.483) 2.483 5.890 ( 0.000 0.000 -0.357) 0.357 6.728 ( 0.000 0.000 -7.371) 7.371 6.752 ( 0.000 0.000 -11.244) 11.244 7.620 ( 0.000 0.000 20.161) 20.161 7.667 ( 0.000 0.000 7.693) 7.693 7.754 ( 0.000 0.000 5.062) 5.062 7.785 ( 0.000 0.000 35.224) 35.224 7.854 ( 0.000 0.000 -7.576) 7.576 8.081 ( 0.000 0.000 -0.532) 0.532 8.282 ( 0.000 0.000 1.101) 1.101 8.341 ( 0.000 0.000 3.299) 3.299 8.579 ( 0.000 0.000 8.920) 8.920 8.876 ( 0.000 0.000 -4.477) 4.477 9.150 ( 0.000 0.000 31.126) 31.126 9.200 ( 0.000 0.000 11.268) 11.268 9.256 ( 0.000 0.000 5.076) 5.076 9.445 ( 0.000 0.000 0.899) 0.899 9.797 ( 0.000 0.000 2.965) 2.965 9.818 ( 0.000 0.000 -7.165) 7.165 9.875 ( 0.000 0.000 -3.285) 3.285 9.955 ( 0.000 0.000 -23.206) 23.206 10.444 ( 0.000 0.000 11.136) 11.136 10.466 ( 0.000 0.000 -5.598) 5.598 10.511 ( 0.000 0.000 -4.652) 4.652 10.653 ( 0.000 0.000 -7.588) 7.588 10.925 ( 0.000 0.000 0.685) 0.685 11.101 ( 0.000 0.000 -15.613) 15.613 11.188 ( 0.000 0.000 -3.243) 3.243 11.208 ( 0.000 0.000 -7.622) 7.622 11.323 ( 0.000 0.000 28.561) 28.561 11.842 ( 0.000 0.000 -24.362) 24.362 11.904 ( 0.000 0.000 5.835) 5.835 11.948 ( 0.000 0.000 1.053) 1.053 12.585 ( 0.000 0.000 48.779) 48.779 12.965 ( 0.000 0.000 12.834) 12.834 13.224 ( 0.000 0.000 -5.022) 5.022 13.238 ( 0.000 0.000 -12.628) 12.628 13.477 ( 0.000 0.000 18.075) 18.075 13.823 ( 0.000 0.000 -16.338) 16.338 14.496 ( 0.000 0.000 -21.544) 21.544 14.517 ( 0.000 0.000 -33.776) 33.776 14.909 ( 0.000 0.000 23.506) 23.506 15.123 ( 0.000 0.000 -0.736) 0.736 15.588 ( 0.000 0.000 1.389) 1.389 15.757 ( 0.000 0.000 -10.429) 10.429 16.123 ( 0.000 0.000 -6.470) 6.470 16.128 ( 0.000 0.000 -5.137) 5.137 16.397 ( 0.000 0.000 26.044) 26.044 16.539 ( 0.000 0.000 24.085) 24.085 16.682 ( 0.000 0.000 6.693) 6.693 16.817 ( 0.000 0.000 -4.230) 4.230 17.164 ( 0.000 0.000 -4.417) 4.417 17.182 ( 0.000 0.000 -4.353) 4.353 17.224 ( 0.000 0.000 -19.406) 19.406 17.499 ( 0.000 0.000 -33.566) 33.566 18.332 ( 0.000 0.000 6.099) 6.099 18.432 ( 0.000 0.000 -0.226) 0.226 18.491 ( 0.000 0.000 15.150) 15.150 18.876 ( 0.000 0.000 -17.863) 17.863 18.888 ( 0.000 0.000 11.822) 11.822 19.102 ( 0.000 0.000 -9.943) 9.943 19.840 ( 0.000 0.000 19.460) 19.460 20.278 ( 0.000 0.000 -23.326) 23.326 21.101 ( 0.000 0.000 6.863) 6.863 21.165 ( 0.000 0.000 0.902) 0.902 21.900 ( 0.000 0.000 6.892) 6.892 21.957 ( 0.000 0.000 1.363) 1.363 21.987 ( 0.000 0.000 -1.197) 1.197 22.068 ( 0.000 0.000 -9.493) 9.493 24.542 ( 0.000 0.000 0.707) 0.707 24.556 ( 0.000 0.000 -0.638) 0.638 25.226 ( 0.000 0.000 1.899) 1.899 25.272 ( 0.000 0.000 -2.654) 2.654 26.923 ( 0.000 0.000 0.571) 0.571 26.932 ( 0.000 0.000 -0.832) 0.832 26.984 ( 0.000 0.000 1.584) 1.584 27.016 ( 0.000 0.000 -1.504) 1.504 27.859 ( 0.000 0.000 0.306) 0.306 27.861 ( 0.000 0.000 0.229) 0.229 27.953 ( 0.000 0.000 6.592) 6.592 28.083 ( 0.000 0.000 -5.897) 5.897 28.916 ( 0.000 0.000 5.018) 5.018 28.950 ( 0.000 0.000 1.543) 1.543 30.180 ( 0.000 0.000 13.651) 13.651 30.458 ( 0.000 0.000 -13.831) 13.831 31.998 ( 0.000 0.000 8.747) 8.747 32.179 ( 0.000 0.000 -9.370) 9.370 ======================= Grid point 197 (66/80) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 13.002 0.000 18.563) 22.663 3.594 ( 10.847 0.000 6.293) 12.540 4.085 ( 7.111 0.000 38.367) 39.021 4.721 ( 0.105 0.000 -24.482) 24.482 4.923 ( -15.093 0.000 13.480) 20.236 5.186 ( -4.298 0.000 -13.672) 14.332 5.570 ( 11.294 0.000 -1.834) 11.441 5.635 ( -6.201 0.000 -3.211) 6.983 6.007 ( 10.248 0.000 3.609) 10.865 6.020 ( 5.161 0.000 -4.265) 6.695 6.616 ( -11.632 0.000 -10.486) 15.661 6.686 ( -3.263 0.000 -13.042) 13.444 7.553 ( -6.409 0.000 10.728) 12.496 7.636 ( -2.413 0.000 8.270) 8.615 7.761 ( 5.674 0.000 10.851) 12.245 7.914 ( 8.676 0.000 42.412) 43.290 7.973 ( 6.191 0.000 -8.460) 10.484 8.233 ( 9.861 0.000 3.032) 10.317 8.249 ( -2.636 0.000 6.993) 7.473 8.361 ( 4.632 0.000 -1.251) 4.798 8.651 ( 7.312 0.000 2.000) 7.581 8.789 ( -7.319 0.000 1.167) 7.412 9.102 ( -1.047 0.000 8.668) 8.731 9.130 ( -6.932 0.000 5.160) 8.641 9.395 ( -2.577 0.000 6.900) 7.365 9.413 ( 6.585 0.000 13.586) 15.098 9.702 ( -2.040 0.000 8.732) 8.967 9.745 ( -7.806 0.000 -8.074) 11.230 9.895 ( -0.262 0.000 -10.396) 10.400 9.971 ( 0.402 0.000 -17.586) 17.591 10.300 ( -1.904 0.000 -2.139) 2.864 10.316 ( -9.553 0.000 -2.774) 9.948 10.630 ( 6.305 0.000 8.415) 10.515 10.842 ( 9.653 0.000 -4.373) 10.597 10.985 ( 3.154 0.000 1.651) 3.560 11.125 ( 0.502 0.000 -10.769) 10.780 11.215 ( 3.935 0.000 0.930) 4.043 11.244 ( -4.163 0.000 20.863) 21.274 11.343 ( 9.438 0.000 -12.329) 15.527 11.601 ( -12.476 0.000 -12.605) 17.735 12.001 ( 6.300 0.000 6.346) 8.942 12.159 ( 7.565 0.000 -9.487) 12.134 12.492 ( -7.270 0.000 42.084) 42.708 12.792 ( -10.852 0.000 14.442) 18.065 13.011 ( -16.675 0.000 -7.390) 18.239 13.107 ( -9.132 0.000 -16.892) 19.202 13.661 ( 11.938 0.000 17.870) 21.491 13.830 ( 0.881 0.000 -9.033) 9.076 14.496 ( -1.313 0.000 -14.830) 14.888 14.502 ( -1.410 0.000 -33.102) 33.132 14.915 ( 0.778 0.000 7.719) 7.758 15.015 ( -8.501 0.000 -1.272) 8.596 15.525 ( -5.211 0.000 2.812) 5.921 15.671 ( -6.200 0.000 -7.387) 9.644 16.181 ( 4.933 0.000 2.198) 5.400 16.204 ( 4.006 0.000 1.673) 4.342 16.361 ( -2.573 0.000 21.335) 21.489 16.545 ( -0.322 0.000 12.947) 12.951 16.715 ( 1.699 0.000 4.645) 4.946 16.811 ( 0.463 0.000 -2.715) 2.754 17.249 ( 2.894 0.000 -20.043) 20.251 17.297 ( 9.464 0.000 -5.219) 10.807 17.341 ( 14.623 0.000 -0.305) 14.626 17.545 ( 4.827 0.000 -28.439) 28.846 18.381 ( 3.964 0.000 5.209) 6.546 18.467 ( 2.623 0.000 4.741) 5.418 18.486 ( 0.391 0.000 5.778) 5.791 18.728 ( -5.236 0.000 -5.259) 7.421 19.051 ( 6.725 0.000 -0.375) 6.736 19.147 ( 3.485 0.000 -7.061) 7.874 19.782 ( -5.568 0.000 17.027) 17.914 20.126 ( -13.725 0.000 -15.509) 20.710 21.073 ( -1.444 0.000 3.692) 3.964 21.121 ( -3.241 0.000 0.159) 3.245 21.854 ( -3.736 0.000 5.921) 7.001 21.894 ( -4.993 0.000 1.649) 5.258 22.041 ( 3.955 0.000 -2.513) 4.686 22.097 ( 2.231 0.000 -8.573) 8.858 24.518 ( -1.693 0.000 0.555) 1.782 24.531 ( -1.892 0.000 -0.671) 2.008 25.350 ( 10.126 0.000 0.101) 10.127 25.365 ( 7.946 0.000 -1.352) 8.060 26.901 ( -1.899 0.000 0.819) 2.069 26.909 ( -1.467 0.000 0.314) 1.500 27.049 ( 4.369 0.000 -0.001) 4.369 27.062 ( 3.711 0.000 -1.123) 3.877 27.698 ( -12.248 0.000 3.063) 12.625 27.752 ( -10.328 0.000 -2.058) 10.531 27.965 ( 1.127 0.000 3.047) 3.249 28.030 ( -1.899 0.000 -3.219) 3.737 29.048 ( 9.935 0.000 4.351) 10.846 29.068 ( 8.905 0.000 2.271) 9.190 30.138 ( -3.649 0.000 12.264) 12.795 30.380 ( -6.896 0.000 -11.527) 13.433 32.011 ( 1.266 0.000 7.513) 7.619 32.168 ( -0.942 0.000 -8.204) 8.258 ======================= Grid point 198 (67/80) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.770 ( 11.404 0.000 15.563) 19.294 3.822 ( 8.339 0.000 10.077) 13.080 4.310 ( 13.126 0.000 24.911) 28.158 4.673 ( -4.743 0.000 -1.259) 4.907 4.715 ( -3.611 0.000 -2.075) 4.165 4.949 ( -14.433 0.000 -15.421) 21.122 5.688 ( 8.359 0.000 5.872) 10.215 5.767 ( 7.174 0.000 -3.453) 7.962 6.065 ( -0.622 0.000 5.204) 5.242 6.212 ( 0.416 0.000 16.165) 16.170 6.383 ( -1.414 0.000 -22.000) 22.046 6.620 ( -2.914 0.000 -20.961) 21.163 7.445 ( -3.192 0.000 8.131) 8.736 7.530 ( -6.205 0.000 0.983) 6.282 7.921 ( 6.782 0.000 7.554) 10.152 8.025 ( -1.845 0.000 0.512) 1.915 8.055 ( 3.363 0.000 24.728) 24.956 8.285 ( 8.298 0.000 34.937) 35.909 8.348 ( 3.228 0.000 -3.124) 4.492 8.531 ( -0.882 0.000 7.004) 7.059 8.648 ( -0.392 0.000 2.224) 2.258 8.767 ( -0.565 0.000 -9.909) 9.925 9.006 ( 0.504 0.000 10.786) 10.798 9.177 ( 10.337 0.000 -6.992) 12.479 9.363 ( -0.208 0.000 2.552) 2.560 9.381 ( -7.101 0.000 12.315) 14.216 9.572 ( -7.062 0.000 -10.066) 12.296 9.764 ( -10.389 0.000 -19.598) 22.182 9.828 ( 10.338 0.000 14.612) 17.899 10.058 ( 6.854 0.000 1.026) 6.930 10.211 ( 0.556 0.000 5.049) 5.080 10.305 ( -1.567 0.000 -5.434) 5.656 10.726 ( 1.836 0.000 18.084) 18.177 10.990 ( 1.851 0.000 1.257) 2.238 11.008 ( -9.029 0.000 6.643) 11.210 11.011 ( 1.227 0.000 -0.124) 1.233 11.245 ( 5.531 0.000 -5.790) 8.007 11.360 ( 6.772 0.000 0.198) 6.775 11.410 ( -3.023 0.000 -11.556) 11.945 11.544 ( 5.436 0.000 -14.575) 15.556 12.025 ( -3.484 0.000 0.497) 3.519 12.106 ( -9.204 0.000 -0.747) 9.234 12.363 ( -5.754 0.000 16.541) 17.513 12.591 ( -20.381 0.000 -4.107) 20.791 12.723 ( 5.610 0.000 14.911) 15.931 12.980 ( -2.676 0.000 -10.354) 10.694 13.899 ( 6.729 0.000 -11.140) 13.015 13.915 ( 11.483 0.000 12.006) 16.613 14.401 ( -7.406 0.000 1.367) 7.531 14.423 ( -7.548 0.000 -31.406) 32.301 14.857 ( -3.769 0.000 1.272) 3.978 14.931 ( -0.393 0.000 -12.554) 12.560 15.416 ( -3.457 0.000 2.233) 4.115 15.532 ( -6.348 0.000 -7.064) 9.497 16.249 ( 0.605 0.000 14.796) 14.808 16.268 ( 0.367 0.000 26.379) 26.381 16.343 ( 3.256 0.000 0.095) 3.257 16.500 ( -3.187 0.000 2.077) 3.804 16.744 ( 1.570 0.000 2.788) 3.200 16.827 ( -0.267 0.000 -1.440) 1.465 17.346 ( 5.522 0.000 -19.822) 20.577 17.448 ( 2.940 0.000 -19.919) 20.135 17.689 ( 15.074 0.000 1.992) 15.205 17.736 ( 11.269 0.000 -6.412) 12.965 18.470 ( 3.825 0.000 2.628) 4.640 18.517 ( 2.236 0.000 0.588) 2.312 18.538 ( 3.919 0.000 2.340) 4.565 18.671 ( -0.780 0.000 -5.939) 5.990 19.161 ( 4.129 0.000 1.684) 4.460 19.217 ( 2.681 0.000 -3.094) 4.094 19.611 ( -9.439 0.000 10.806) 14.348 19.760 ( -18.076 0.000 -2.976) 18.319 21.062 ( 0.114 0.000 0.183) 0.216 21.069 ( -1.197 0.000 0.261) 1.226 21.771 ( -3.358 0.000 3.559) 4.894 21.784 ( -4.342 0.000 1.672) 4.653 22.119 ( 2.847 0.000 -4.360) 5.207 22.142 ( 1.579 0.000 -7.079) 7.253 24.488 ( -0.975 0.000 0.072) 0.978 24.494 ( -1.306 0.000 -0.512) 1.403 25.563 ( 9.278 0.000 0.468) 9.290 25.582 ( 9.818 0.000 -1.553) 9.940 26.842 ( -3.855 0.000 0.666) 3.912 26.843 ( -4.627 0.000 0.757) 4.689 27.136 ( 3.213 0.000 -0.504) 3.252 27.142 ( 3.011 0.000 -0.990) 3.170 27.464 ( -7.483 0.000 1.828) 7.703 27.515 ( -9.328 0.000 -3.022) 9.806 27.998 ( 1.674 0.000 1.715) 2.396 28.023 ( 0.421 0.000 -0.766) 0.874 29.253 ( 7.308 0.000 3.365) 8.046 29.253 ( 7.938 0.000 3.564) 8.701 30.052 ( -3.309 0.000 8.273) 8.910 30.198 ( -9.039 0.000 -5.807) 10.744 32.050 ( 2.188 0.000 4.064) 4.616 32.140 ( -1.664 0.000 -4.990) 5.260 ======================= Grid point 199 (68/80) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( -0.975 0.000 11.408) 11.449 3.905 ( 0.975 0.000 11.408) 11.449 4.576 ( -9.994 0.000 6.940) 12.167 4.576 ( 9.994 0.000 6.940) 12.167 4.701 ( -7.162 0.000 -1.306) 7.280 4.701 ( 7.162 0.000 -1.306) 7.280 5.838 ( -2.275 0.000 0.045) 2.275 5.838 ( 2.275 0.000 0.045) 2.275 6.072 ( -4.196 0.000 11.416) 12.163 6.072 ( 4.196 0.000 11.416) 12.163 6.526 ( -6.597 0.000 -20.387) 21.428 6.526 ( 6.597 0.000 -20.387) 21.428 7.432 ( -2.077 0.000 0.169) 2.084 7.432 ( 2.077 0.000 0.169) 2.084 7.965 ( -1.537 0.000 9.363) 9.489 7.965 ( 1.537 0.000 9.363) 9.489 8.256 ( -12.389 0.000 8.939) 15.277 8.256 ( 12.389 0.000 8.939) 15.277 8.429 ( -2.977 0.000 22.198) 22.397 8.429 ( 2.977 0.000 22.198) 22.397 8.702 ( -2.962 0.000 -6.308) 6.969 8.702 ( 2.962 0.000 -6.308) 6.969 9.177 ( -10.753 0.000 15.394) 18.778 9.177 ( 10.753 0.000 15.394) 18.778 9.401 ( -1.675 0.000 -7.080) 7.275 9.401 ( 1.675 0.000 -7.080) 7.275 9.503 ( -10.804 0.000 -16.029) 19.330 9.503 ( 10.804 0.000 -16.029) 19.330 10.077 ( -10.214 0.000 16.934) 19.776 10.077 ( 10.214 0.000 16.934) 19.776 10.248 ( -0.225 0.000 -1.967) 1.980 10.248 ( 0.225 0.000 -1.967) 1.980 10.782 ( -6.761 0.000 11.643) 13.463 10.782 ( 6.761 0.000 11.643) 13.463 11.032 ( -0.305 0.000 2.667) 2.684 11.032 ( 0.305 0.000 2.667) 2.684 11.389 ( -5.353 0.000 -5.368) 7.581 11.389 ( 5.353 0.000 -5.368) 7.581 11.486 ( -7.948 0.000 -14.980) 16.957 11.486 ( 7.948 0.000 -14.980) 16.958 12.004 ( -0.507 0.000 -5.243) 5.267 12.004 ( 0.507 0.000 -5.243) 5.267 12.286 ( -3.778 0.000 5.396) 6.587 12.286 ( 3.778 0.000 5.396) 6.587 12.890 ( -6.986 0.000 7.824) 10.489 12.890 ( 6.986 0.000 7.824) 10.489 14.083 ( -3.337 0.000 -21.959) 22.211 14.083 ( 3.337 0.000 -21.959) 22.211 14.247 ( -0.668 0.000 7.624) 7.653 14.247 ( 0.668 0.000 7.624) 7.653 14.876 ( -3.695 0.000 -7.898) 8.719 14.876 ( 3.695 0.000 -7.898) 8.719 15.420 ( -3.519 0.000 -4.874) 6.012 15.420 ( 3.519 0.000 -4.874) 6.012 16.255 ( -0.394 0.000 21.601) 21.605 16.255 ( 0.394 0.000 21.601) 21.605 16.430 ( -3.577 0.000 1.461) 3.864 16.430 ( 3.577 0.000 1.461) 3.864 16.791 ( -2.525 0.000 0.575) 2.590 16.791 ( 2.525 0.000 0.575) 2.590 17.443 ( -2.872 0.000 -21.199) 21.393 17.443 ( 2.872 0.000 -21.199) 21.393 17.875 ( -0.725 0.000 1.342) 1.525 17.875 ( 0.725 0.000 1.342) 1.525 18.528 ( -1.277 0.000 -1.137) 1.709 18.528 ( 1.277 0.000 -1.137) 1.709 18.635 ( -3.612 0.000 -2.141) 4.199 18.635 ( 3.612 0.000 -2.141) 4.199 19.246 ( -1.856 0.000 0.556) 1.937 19.246 ( 1.856 0.000 0.556) 1.937 19.489 ( -2.904 0.000 4.811) 5.619 19.489 ( 2.904 0.000 4.811) 5.619 21.062 ( -0.156 0.000 0.364) 0.396 21.062 ( 0.156 0.000 0.364) 0.396 21.733 ( -0.191 0.000 1.797) 1.807 21.733 ( 0.191 0.000 1.797) 1.807 22.155 ( -0.487 0.000 -5.781) 5.802 22.155 ( 0.487 0.000 -5.781) 5.802 24.479 ( -0.125 0.000 -0.283) 0.309 24.479 ( 0.125 0.000 -0.283) 0.309 25.691 ( -0.910 0.000 -0.116) 0.918 25.691 ( 0.910 0.000 -0.116) 0.918 26.777 ( -0.324 0.000 0.281) 0.429 26.777 ( 0.324 0.000 0.281) 0.429 27.173 ( -0.150 0.000 -0.759) 0.774 27.173 ( 0.150 0.000 -0.759) 0.774 27.402 ( -1.263 0.000 -0.868) 1.532 27.402 ( 1.263 0.000 -0.868) 1.532 28.024 ( -0.577 0.000 0.629) 0.853 28.024 ( 0.577 0.000 0.629) 0.853 29.343 ( -0.251 0.000 3.598) 3.607 29.343 ( 0.251 0.000 3.598) 3.607 30.048 ( -3.741 0.000 1.558) 4.052 30.048 ( 3.741 0.000 1.558) 4.052 32.098 ( -2.209 0.000 -0.536) 2.273 32.098 ( 2.209 0.000 -0.536) 2.273 ======================= Grid point 203 (69/80) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( 0.000 17.320 17.363) 24.524 3.630 ( 0.000 14.905 4.516) 15.574 3.773 ( 0.000 -16.112 35.718) 39.184 4.433 ( 0.000 -21.829 -30.046) 37.138 5.119 ( 0.000 -12.555 -5.955) 13.896 5.123 ( 0.000 -6.036 -2.778) 6.645 5.588 ( 0.000 11.611 8.398) 14.330 5.710 ( 0.000 -2.757 -5.118) 5.813 5.922 ( 0.000 14.489 20.221) 24.876 6.261 ( 0.000 17.121 -6.517) 18.319 6.628 ( 0.000 -7.513 -7.711) 10.766 6.710 ( 0.000 -0.031 -20.266) 20.266 7.226 ( 0.000 -24.590 10.988) 26.933 7.428 ( 0.000 -20.738 -5.606) 21.482 7.675 ( 0.000 2.367 26.384) 26.490 7.742 ( 0.000 -12.860 6.698) 14.500 7.950 ( 0.000 3.762 21.620) 21.945 8.077 ( 0.000 -1.127 3.084) 3.283 8.337 ( 0.000 -2.384 -1.701) 2.928 8.465 ( 0.000 13.812 -5.458) 14.851 8.768 ( 0.000 12.708 10.355) 16.393 8.916 ( 0.000 -0.262 5.378) 5.384 9.003 ( 0.000 -8.200 5.888) 10.095 9.108 ( 0.000 -3.432 32.151) 32.334 9.176 ( 0.000 2.730 -7.980) 8.434 9.455 ( 0.000 -5.914 10.546) 12.091 9.752 ( 0.000 6.841 -18.861) 20.063 9.820 ( 0.000 2.077 -14.869) 15.014 10.084 ( 0.000 9.425 15.648) 18.267 10.331 ( 0.000 -7.212 5.708) 9.197 10.390 ( 0.000 21.176 -8.863) 22.956 10.451 ( 0.000 -4.376 -0.513) 4.406 10.572 ( 0.000 5.040 -0.616) 5.078 10.663 ( 0.000 7.081 -13.211) 14.989 10.898 ( 0.000 -0.731 6.510) 6.551 11.041 ( 0.000 -8.063 5.631) 9.835 11.159 ( 0.000 1.807 -8.234) 8.430 11.280 ( 0.000 4.098 -9.871) 10.688 11.313 ( 0.000 -1.372 8.393) 8.504 11.607 ( 0.000 -15.150 -13.544) 20.322 11.917 ( 0.000 -2.582 0.882) 2.729 11.934 ( 0.000 -1.128 -5.256) 5.376 12.557 ( 0.000 -1.569 44.814) 44.842 13.014 ( 0.000 3.517 11.698) 12.216 13.076 ( 0.000 -11.769 2.092) 11.954 13.164 ( 0.000 -1.151 -1.222) 1.679 13.722 ( 0.000 10.299 10.925) 15.014 13.971 ( 0.000 12.277 -10.384) 16.080 14.301 ( 0.000 -12.755 -37.698) 39.797 14.310 ( 0.000 -5.608 -27.862) 28.421 15.135 ( 0.000 13.116 21.235) 24.959 15.282 ( 0.000 6.007 2.183) 6.392 15.550 ( 0.000 -3.024 3.552) 4.665 15.786 ( 0.000 2.628 -10.035) 10.374 16.092 ( 0.000 -3.013 -8.788) 9.291 16.118 ( 0.000 -1.144 -7.017) 7.110 16.447 ( 0.000 4.449 26.051) 26.429 16.606 ( 0.000 7.272 21.158) 22.373 16.657 ( 0.000 -3.488 7.024) 7.842 16.744 ( 0.000 -5.937 -4.099) 7.215 17.158 ( 0.000 -0.642 -9.760) 9.781 17.273 ( 0.000 9.842 -5.343) 11.199 17.315 ( 0.000 8.806 -10.556) 13.747 17.507 ( 0.000 0.472 -31.066) 31.069 18.271 ( 0.000 -5.482 5.199) 7.555 18.339 ( 0.000 -6.798 10.250) 12.299 18.404 ( 0.000 -6.155 3.071) 6.879 18.752 ( 0.000 -7.102 -17.911) 19.268 19.092 ( 0.000 14.538 11.966) 18.829 19.305 ( 0.000 13.447 -9.517) 16.474 19.856 ( 0.000 0.708 19.385) 19.398 20.286 ( 0.000 -0.147 -22.675) 22.676 21.068 ( 0.000 -2.122 5.052) 5.479 21.111 ( 0.000 -4.165 1.379) 4.387 21.866 ( 0.000 -1.991 4.487) 4.908 21.904 ( 0.000 -3.638 0.642) 3.694 21.997 ( 0.000 0.003 -0.716) 0.716 22.069 ( 0.000 -0.957 -7.783) 7.842 24.454 ( 0.000 -6.906 0.310) 6.913 24.461 ( 0.000 -7.384 -0.405) 7.395 25.327 ( 0.000 7.870 2.081) 8.140 25.370 ( 0.000 7.616 -2.252) 7.942 26.864 ( 0.000 -2.865 0.831) 2.983 26.885 ( 0.000 -2.757 -1.524) 3.150 27.083 ( 0.000 6.401 0.942) 6.470 27.096 ( 0.000 5.628 -0.489) 5.649 27.840 ( 0.000 -1.854 2.630) 3.218 27.869 ( 0.000 0.454 -0.440) 0.632 27.981 ( 0.000 2.369 3.355) 4.107 28.063 ( 0.000 -1.447 -4.338) 4.573 28.939 ( 0.000 2.168 5.802) 6.194 28.979 ( 0.000 2.604 1.742) 3.133 30.109 ( 0.000 -6.159 11.802) 13.313 30.353 ( 0.000 -9.274 -12.240) 15.357 32.021 ( 0.000 2.039 7.032) 7.322 32.175 ( 0.000 -0.348 -8.415) 8.423 ======================= Grid point 204 (70/80) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.638 ( 8.935 8.221 16.268) 20.299 3.734 ( 8.140 10.917 6.100) 14.922 3.812 ( 4.218 -10.807 30.724) 32.841 4.415 ( -1.309 -19.383 -27.608) 33.758 5.115 ( 0.850 0.720 -0.276) 1.147 5.219 ( 7.161 -0.009 -1.890) 7.407 5.595 ( 3.131 2.600 0.553) 4.107 5.738 ( -6.088 -3.252 2.785) 7.443 5.878 ( 3.945 13.862 5.115) 15.294 6.231 ( -2.840 8.687 7.086) 11.564 6.603 ( -3.352 -6.034 -9.022) 11.360 6.681 ( -1.212 7.384 -22.986) 24.174 7.164 ( -5.633 -22.575 11.534) 25.969 7.372 ( -6.148 -23.431 -4.340) 24.610 7.801 ( 5.746 -13.787 15.117) 21.251 7.830 ( 11.759 -1.925 21.008) 24.153 7.938 ( 1.261 -4.807 11.645) 12.661 8.150 ( 4.785 11.210 16.011) 20.123 8.350 ( 2.559 -0.809 -7.246) 7.727 8.502 ( 0.075 9.802 9.003) 13.309 8.743 ( 5.747 -3.066 -5.912) 8.797 8.868 ( -7.435 3.302 5.039) 9.569 9.017 ( -4.316 1.416 5.164) 6.877 9.154 ( 0.868 0.825 12.369) 12.427 9.236 ( 10.458 1.733 9.440) 14.195 9.420 ( -2.424 -3.701 10.443) 11.341 9.670 ( -4.072 5.548 -17.045) 18.382 9.854 ( -2.966 5.589 -15.133) 16.402 10.061 ( -0.962 -0.200 13.098) 13.135 10.173 ( -7.670 -6.383 3.342) 10.524 10.238 ( -9.839 6.011 -3.267) 11.984 10.396 ( 0.847 14.878 -12.099) 19.195 10.633 ( -1.073 1.281 2.940) 3.381 10.780 ( 5.702 0.562 -6.636) 8.767 10.932 ( 3.888 -2.309 10.228) 11.183 11.120 ( 4.435 -5.061 10.890) 12.801 11.164 ( 1.459 2.446 -8.629) 9.087 11.256 ( -3.800 -2.044 7.568) 8.711 11.406 ( 8.735 4.418 -12.078) 15.547 11.636 ( -4.879 0.524 -13.225) 14.106 11.893 ( 8.802 -7.666 5.861) 13.061 12.066 ( 7.137 -6.892 -11.192) 14.957 12.478 ( -6.670 -1.151 39.278) 39.856 12.834 ( -14.574 -5.515 6.097) 16.733 12.926 ( -8.048 -0.954 0.987) 8.164 13.191 ( -9.590 10.003 -5.348) 14.854 13.534 ( -1.995 -7.078 13.520) 15.390 14.109 ( 3.891 17.561 -9.005) 20.115 14.253 ( -2.201 -10.236 -28.860) 30.701 14.432 ( 9.973 -9.013 -27.319) 30.447 15.007 ( -13.421 6.975 4.838) 15.880 15.225 ( -4.091 11.973 6.421) 14.189 15.415 ( -5.986 -7.013 -0.876) 9.262 15.712 ( -6.242 -0.455 1.646) 6.471 16.205 ( 7.297 1.425 -2.175) 7.747 16.261 ( 6.973 2.500 -1.422) 7.543 16.431 ( -1.553 9.422 21.792) 23.792 16.636 ( 0.020 6.024 10.486) 12.093 16.678 ( 2.196 -2.570 5.740) 6.661 16.773 ( 4.684 -2.185 0.219) 5.173 17.172 ( 4.837 -3.938 -11.066) 12.702 17.295 ( 2.854 1.833 -13.529) 13.948 17.460 ( 9.294 7.818 -1.787) 12.276 17.566 ( 5.059 1.933 -24.785) 25.370 18.236 ( -0.351 -9.922 7.972) 12.733 18.348 ( 0.823 -7.944 1.941) 8.219 18.438 ( 2.635 -3.715 -0.071) 4.555 18.828 ( 5.250 -3.143 -10.463) 12.121 19.090 ( 0.718 15.235 7.091) 16.820 19.378 ( 4.924 12.906 -4.751) 14.608 19.800 ( -5.089 1.231 15.696) 16.546 20.167 ( -11.457 3.704 -15.144) 19.348 20.979 ( -3.559 -7.223 1.585) 8.206 21.123 ( -1.114 -0.559 1.894) 2.267 21.760 ( -5.336 -4.550 2.815) 7.556 21.922 ( -0.939 0.220 -0.334) 1.021 22.056 ( 3.872 0.706 -0.426) 3.958 22.109 ( 2.869 0.292 -6.558) 7.164 24.429 ( -0.721 -5.839 -0.115) 5.884 24.489 ( 0.670 -5.612 -0.074) 5.653 25.273 ( 1.152 1.151 -0.517) 1.708 25.538 ( 9.001 6.958 -0.195) 11.378 26.823 ( -1.310 -1.887 0.133) 2.301 26.966 ( 4.396 -0.709 -0.383) 4.469 27.092 ( 0.536 5.491 1.011) 5.609 27.117 ( 1.864 4.142 -0.749) 4.604 27.672 ( -11.238 -1.443 1.673) 11.453 27.794 ( -13.020 2.420 -1.039) 13.284 27.921 ( 0.533 -2.677 0.585) 2.792 28.058 ( -0.349 1.357 -0.492) 1.485 28.975 ( 5.835 -2.749 3.768) 7.470 29.144 ( 9.379 3.023 3.895) 10.596 30.056 ( -4.039 -6.607 8.419) 11.439 30.314 ( -3.779 -5.940 -8.064) 10.705 32.039 ( 1.620 2.387 6.022) 6.678 32.173 ( -0.225 0.363 -7.461) 7.474 ======================= Grid point 205 (71/80) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.782 ( 4.658 -16.790 14.210) 22.484 3.890 ( 2.459 -12.007 6.681) 13.959 3.967 ( 11.031 16.165 15.748) 25.120 4.373 ( -3.975 -5.924 -15.779) 17.317 5.197 ( 6.966 21.105 4.926) 22.764 5.342 ( 2.942 17.527 -1.990) 17.883 5.627 ( 3.340 -6.639 8.074) 10.973 5.757 ( 6.927 0.073 -1.597) 7.109 5.940 ( -0.426 -1.797 -5.144) 5.466 6.138 ( -7.170 -2.265 17.475) 19.024 6.532 ( -0.027 2.899 -11.129) 11.500 6.670 ( -0.796 11.024 -21.183) 23.893 7.033 ( -5.438 -25.804 7.889) 27.526 7.154 ( -11.938 -28.169 -3.046) 30.745 7.911 ( 4.730 -10.294 21.513) 24.314 8.039 ( 6.429 -8.651 11.139) 15.500 8.116 ( 12.338 -2.792 11.099) 16.828 8.254 ( 3.285 4.870 13.950) 15.137 8.350 ( 0.003 -0.248 -0.464) 0.526 8.564 ( -6.950 10.744 8.212) 15.204 8.675 ( 2.728 2.503 9.228) 9.943 8.863 ( 1.514 -1.959 -4.704) 5.316 8.989 ( 1.297 5.543 -0.212) 5.697 9.096 ( -4.412 -3.648 7.859) 9.723 9.356 ( -0.006 -0.786 0.005) 0.786 9.480 ( 8.498 13.197 4.363) 16.291 9.666 ( -0.738 -6.682 -9.048) 11.273 9.699 ( -2.972 3.097 -10.021) 10.901 9.965 ( -8.966 2.640 -0.892) 9.389 10.062 ( -3.048 -9.609 4.326) 10.970 10.201 ( 4.843 13.490 11.903) 18.631 10.435 ( 0.240 10.459 -10.646) 14.926 10.614 ( 1.583 -9.951 11.309) 15.147 10.810 ( -0.790 -12.041 -0.252) 12.069 10.933 ( -4.385 -1.302 5.611) 7.239 11.055 ( -8.787 4.641 0.823) 9.972 11.254 ( 3.312 -2.110 2.922) 4.895 11.284 ( 2.908 0.716 6.001) 6.706 11.527 ( 7.829 5.191 -11.186) 14.607 11.671 ( 7.706 5.817 -17.672) 20.137 11.960 ( 2.206 -0.384 -2.143) 3.099 12.285 ( -9.447 2.634 19.672) 21.981 12.332 ( 3.097 0.984 3.758) 4.968 12.502 ( -8.409 -11.232 -3.934) 14.573 12.765 ( -15.698 7.892 9.265) 19.864 12.869 ( -4.507 -5.339 -0.648) 7.017 13.694 ( 12.933 -8.044 6.601) 16.599 14.137 ( 0.247 7.265 -17.323) 18.786 14.211 ( -1.638 -8.460 -24.677) 26.138 14.592 ( -22.788 0.319 -4.181) 23.170 14.685 ( 12.215 -2.009 -14.049) 18.725 15.123 ( -6.436 9.330 2.493) 11.605 15.368 ( 1.180 -1.795 0.569) 2.222 15.573 ( -6.454 1.135 1.645) 6.757 16.263 ( 0.335 1.032 12.469) 12.516 16.328 ( -2.371 1.700 10.614) 11.008 16.440 ( 4.040 11.766 8.034) 14.809 16.589 ( -3.307 7.791 4.644) 9.654 16.747 ( 4.039 1.305 4.458) 6.156 16.870 ( 1.379 4.607 -2.325) 5.342 17.361 ( 6.742 0.561 -18.822) 20.001 17.406 ( 10.563 -6.783 -9.006) 15.450 17.606 ( 1.254 -4.167 -14.006) 14.666 17.685 ( 6.486 -2.203 3.228) 7.572 18.343 ( 9.324 -9.291 -0.022) 13.163 18.388 ( 2.820 -9.212 1.099) 9.696 18.508 ( 4.754 0.577 -1.605) 5.050 18.893 ( -1.055 6.258 -4.587) 7.830 19.137 ( 4.171 8.274 4.286) 10.209 19.440 ( -0.700 9.887 -0.519) 9.925 19.667 ( -5.707 6.195 7.963) 11.591 19.844 ( -15.892 9.048 -4.450) 18.820 20.967 ( 1.805 -6.790 -0.382) 7.036 21.080 ( -2.474 -1.544 1.273) 3.182 21.698 ( 0.077 -1.558 1.386) 2.087 21.862 ( -4.428 2.638 -0.123) 5.156 22.127 ( 2.643 1.209 -2.575) 3.883 22.160 ( 1.455 0.904 -5.459) 5.722 24.428 ( 0.545 -4.021 -0.250) 4.066 24.480 ( -1.224 -2.798 -0.130) 3.057 25.393 ( 9.214 -6.593 -0.920) 11.367 25.675 ( 2.252 0.110 -0.120) 2.258 26.811 ( 0.480 2.584 0.134) 2.631 26.996 ( -3.474 7.687 1.548) 8.576 27.118 ( 2.776 -0.686 -0.758) 2.958 27.163 ( 1.850 1.572 -0.733) 2.536 27.454 ( -7.193 -0.691 0.893) 7.281 27.517 ( -10.364 -0.113 -2.454) 10.651 27.946 ( 1.749 -2.829 0.550) 3.371 28.041 ( -1.445 -0.195 0.479) 1.535 29.130 ( 7.487 -6.167 3.684) 10.375 29.286 ( 2.876 -2.146 4.288) 5.591 29.995 ( -0.449 -3.204 4.242) 5.335 30.197 ( -6.761 -1.113 -2.288) 7.224 32.084 ( 2.421 2.949 3.141) 4.942 32.162 ( -0.897 1.821 -4.700) 5.120 ======================= Grid point 206 (72/80) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( -3.229 -18.080 8.234) 20.127 3.867 ( 3.229 -18.080 8.234) 20.127 4.207 ( -10.597 7.457 0.962) 12.993 4.207 ( 10.597 7.457 0.962) 12.993 5.341 ( -4.098 28.911 3.085) 29.363 5.341 ( 4.098 28.911 3.085) 29.363 5.789 ( -7.683 -3.695 2.120) 8.785 5.789 ( 7.683 -3.695 2.120) 8.785 5.953 ( -5.693 -7.589 7.576) 12.141 5.953 ( 5.693 -7.589 7.576) 12.141 6.612 ( -4.879 8.295 -13.732) 16.768 6.612 ( 4.879 8.295 -13.732) 16.768 6.984 ( -2.281 -30.756 -0.235) 30.841 6.984 ( 2.281 -30.756 -0.235) 30.841 8.040 ( -6.253 -10.194 13.632) 18.134 8.040 ( 6.253 -10.194 13.632) 18.134 8.270 ( -1.036 5.146 6.276) 8.181 8.270 ( 1.036 5.146 6.276) 8.181 8.407 ( -5.160 -1.881 13.592) 14.660 8.407 ( 5.160 -1.881 13.592) 14.660 8.783 ( -5.251 8.522 0.079) 10.011 8.783 ( 5.251 8.522 0.079) 10.011 9.055 ( -3.025 -0.231 6.273) 6.968 9.055 ( 3.025 -0.231 6.273) 6.968 9.434 ( -9.009 -2.318 -12.648) 15.701 9.434 ( 9.009 -2.318 -12.648) 15.701 9.698 ( -9.764 5.016 2.333) 11.222 9.698 ( 9.764 5.016 2.333) 11.222 9.943 ( -9.021 -2.454 3.764) 10.078 9.943 ( 9.021 -2.454 3.764) 10.078 10.339 ( -7.190 5.904 6.053) 11.099 10.339 ( 7.190 5.904 6.053) 11.099 10.741 ( -7.334 -11.712 8.453) 16.199 10.741 ( 7.334 -11.712 8.453) 16.199 10.889 ( -2.595 0.000 -3.078) 4.026 10.889 ( 2.595 0.000 -3.078) 4.026 11.285 ( -1.169 0.773 0.480) 1.481 11.285 ( 1.169 0.773 0.480) 1.481 11.750 ( -4.369 7.973 -13.730) 16.467 11.750 ( 4.369 7.973 -13.730) 16.467 12.097 ( -7.101 4.161 2.710) 8.665 12.097 ( 7.101 4.161 2.710) 8.665 12.255 ( -8.422 2.096 2.159) 8.943 12.255 ( 8.422 2.096 2.159) 8.943 12.780 ( -6.784 -7.733 9.341) 13.895 12.780 ( 6.784 -7.733 9.341) 13.895 14.046 ( -16.724 -4.244 -5.633) 18.150 14.046 ( 16.724 -4.244 -5.633) 18.150 14.204 ( -3.945 -4.067 -19.151) 19.971 14.204 ( 3.945 -4.067 -19.151) 19.971 14.935 ( -10.745 4.719 -3.597) 12.274 14.935 ( 10.745 4.719 -3.597) 12.274 15.444 ( -5.313 2.014 0.217) 5.686 15.444 ( 5.313 2.014 0.217) 5.686 16.277 ( -1.504 1.826 14.188) 14.384 16.277 ( 1.504 1.826 14.188) 14.384 16.519 ( -3.264 8.281 5.213) 10.315 16.519 ( 3.264 8.281 5.213) 10.315 16.835 ( -3.622 4.697 0.583) 5.960 16.835 ( 3.622 4.697 0.583) 5.960 17.471 ( -4.472 1.260 -18.715) 19.284 17.471 ( 4.472 1.260 -18.715) 19.284 17.706 ( -5.750 -11.566 1.115) 12.965 17.706 ( 5.750 -11.566 1.115) 12.965 18.435 ( -0.966 -9.761 -0.761) 9.838 18.435 ( 0.966 -9.761 -0.761) 9.838 18.731 ( -12.900 8.278 -1.948) 15.451 18.731 ( 12.900 8.278 -1.948) 15.451 19.301 ( -10.334 2.365 2.779) 10.959 19.301 ( 10.334 2.365 2.779) 10.959 19.630 ( -3.127 13.869 0.886) 14.244 19.630 ( 3.127 13.869 0.886) 14.244 21.022 ( -2.854 -4.015 0.593) 4.961 21.022 ( 2.854 -4.015 0.593) 4.961 21.756 ( -4.662 2.211 0.410) 5.176 21.756 ( 4.662 2.211 0.410) 5.176 22.166 ( -0.854 0.938 -4.395) 4.574 22.166 ( 0.854 0.938 -4.395) 4.574 24.450 ( -1.390 -2.619 -0.250) 2.976 24.450 ( 1.390 -2.619 -0.250) 2.976 25.602 ( -8.371 -7.055 -0.395) 10.955 25.602 ( 8.371 -7.055 -0.395) 10.955 26.874 ( -5.600 7.710 0.638) 9.551 26.874 ( 5.600 7.710 0.638) 9.551 27.171 ( -1.324 -0.100 -0.851) 1.577 27.171 ( 1.324 -0.100 -0.851) 1.577 27.393 ( -1.318 -0.764 -0.943) 1.792 27.393 ( 1.318 -0.764 -0.943) 1.792 27.995 ( -2.609 -2.597 0.588) 3.727 27.995 ( 2.609 -2.597 0.588) 3.727 29.263 ( -4.354 -6.610 3.994) 8.866 29.263 ( 4.354 -6.610 3.994) 8.866 30.055 ( -5.614 0.553 1.414) 5.815 30.055 ( 5.614 0.553 1.414) 5.815 32.132 ( -1.919 2.866 -0.807) 3.542 32.132 ( 1.919 2.866 -0.807) 3.542 ======================= Grid point 210 (73/80) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( 0.000 -6.426 18.035) 19.146 3.863 ( 0.000 -7.488 -8.460) 11.298 4.023 ( 0.000 20.019 5.903) 20.871 4.072 ( 0.000 10.627 -4.025) 11.364 4.780 ( 0.000 -17.552 1.649) 17.629 4.917 ( 0.000 -13.694 -6.238) 15.048 5.626 ( 0.000 -0.188 0.353) 0.400 5.695 ( 0.000 0.212 -5.168) 5.172 6.357 ( 0.000 8.977 17.992) 20.107 6.371 ( 0.000 -1.571 8.802) 8.941 6.513 ( 0.000 -3.366 -2.165) 4.002 6.662 ( 0.000 -14.451 -10.909) 18.106 6.832 ( 0.000 -2.064 13.284) 13.444 7.250 ( 0.000 6.631 -21.473) 22.473 7.452 ( 0.000 -9.589 15.740) 18.431 7.693 ( 0.000 -2.204 10.514) 10.743 8.024 ( 0.000 6.170 13.589) 14.924 8.077 ( 0.000 0.472 -0.339) 0.581 8.192 ( 0.000 -6.229 2.510) 6.716 8.581 ( 0.000 -2.047 -13.646) 13.799 8.879 ( 0.000 2.927 20.903) 21.107 9.000 ( 0.000 2.564 20.004) 20.168 9.068 ( 0.000 -2.537 18.194) 18.370 9.163 ( 0.000 10.198 1.219) 10.271 9.176 ( 0.000 1.695 7.893) 8.072 9.396 ( 0.000 -0.518 10.037) 10.050 9.737 ( 0.000 -6.277 -11.231) 12.865 9.845 ( 0.000 1.425 -14.488) 14.558 10.170 ( 0.000 1.013 9.720) 9.772 10.246 ( 0.000 -0.154 -6.459) 6.461 10.400 ( 0.000 0.296 -6.426) 6.433 10.572 ( 0.000 -0.128 -14.262) 14.262 10.713 ( 0.000 -2.731 27.102) 27.239 10.787 ( 0.000 -1.066 5.259) 5.366 10.961 ( 0.000 7.296 -12.252) 14.260 10.998 ( 0.000 8.067 13.874) 16.049 11.236 ( 0.000 -2.539 -22.587) 22.729 11.262 ( 0.000 3.883 -1.010) 4.012 11.292 ( 0.000 3.950 -5.293) 6.604 11.479 ( 0.000 2.084 -12.993) 13.159 11.826 ( 0.000 -8.922 -2.755) 9.338 11.827 ( 0.000 -6.466 -0.383) 6.477 12.543 ( 0.000 0.665 37.420) 37.426 12.787 ( 0.000 -11.917 17.815) 21.433 13.120 ( 0.000 4.072 5.131) 6.551 13.178 ( 0.000 1.018 1.792) 2.061 13.773 ( 0.000 0.912 -6.978) 7.037 14.059 ( 0.000 -9.570 -38.826) 39.988 14.269 ( 0.000 13.714 -5.952) 14.950 14.424 ( 0.000 9.370 -21.997) 23.909 15.288 ( 0.000 -3.189 5.129) 6.040 15.296 ( 0.000 0.165 8.834) 8.836 15.539 ( 0.000 4.489 14.718) 15.387 15.801 ( 0.000 -2.674 0.435) 2.709 16.020 ( 0.000 -2.876 -10.298) 10.692 16.069 ( 0.000 -3.485 -8.971) 9.624 16.520 ( 0.000 -0.579 17.282) 17.292 16.547 ( 0.000 -5.039 3.241) 5.991 16.678 ( 0.000 3.578 4.486) 5.738 16.795 ( 0.000 7.085 21.847) 22.968 17.179 ( 0.000 3.572 -19.440) 19.766 17.472 ( 0.000 -0.691 -30.655) 30.663 17.544 ( 0.000 9.922 0.706) 9.947 17.600 ( 0.000 15.705 -4.893) 16.450 18.138 ( 0.000 -5.496 2.107) 5.886 18.193 ( 0.000 -7.908 0.358) 7.916 18.282 ( 0.000 -2.441 11.236) 11.498 18.600 ( 0.000 -8.414 -13.716) 16.091 19.384 ( 0.000 11.958 10.650) 16.013 19.557 ( 0.000 8.207 -4.193) 9.216 19.854 ( 0.000 0.818 11.492) 11.521 20.213 ( 0.000 -7.744 -20.480) 21.895 21.056 ( 0.000 -0.112 3.071) 3.073 21.058 ( 0.000 1.208 2.329) 2.624 21.846 ( 0.000 0.351 1.424) 1.467 21.847 ( 0.000 -1.059 0.725) 1.283 21.969 ( 0.000 -2.545 -2.215) 3.374 22.014 ( 0.000 -4.023 -6.137) 7.338 24.310 ( 0.000 -5.882 -0.089) 5.883 24.311 ( 0.000 -5.690 -0.175) 5.692 25.490 ( 0.000 6.534 1.899) 6.804 25.520 ( 0.000 5.454 -1.104) 5.564 26.821 ( 0.000 -1.138 0.269) 1.170 26.837 ( 0.000 -1.720 -1.392) 2.213 27.216 ( 0.000 5.470 0.677) 5.512 27.216 ( 0.000 5.093 0.463) 5.114 27.798 ( 0.000 -1.591 2.391) 2.872 27.850 ( 0.000 -2.458 -2.427) 3.454 28.032 ( 0.000 1.981 1.346) 2.395 28.048 ( 0.000 0.194 -0.321) 0.375 29.005 ( 0.000 3.828 7.031) 8.005 29.046 ( 0.000 3.073 3.097) 4.363 29.966 ( 0.000 -5.843 6.344) 8.625 30.117 ( 0.000 -11.638 -8.272) 14.278 32.074 ( 0.000 2.769 2.910) 4.017 32.161 ( 0.000 -1.077 -5.735) 5.835 ======================= Grid point 211 (74/80) ======================= q-point: ( 0.17 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( -3.881 -8.271 12.797) 15.724 3.728 ( -9.291 -14.708 -12.242) 21.273 4.142 ( 13.406 23.156 14.091) 30.240 4.326 ( 15.289 14.479 -4.312) 21.494 4.891 ( 10.745 -14.995 -0.801) 18.465 5.104 ( 14.575 -11.697 -1.812) 18.776 5.561 ( -6.237 -1.944 1.357) 6.672 5.693 ( 1.333 -0.050 -4.787) 4.969 6.300 ( -4.402 0.818 7.694) 8.902 6.374 ( 0.376 10.813 17.363) 20.458 6.490 ( -4.585 -1.571 -8.868) 10.106 6.667 ( 0.339 -18.541 -1.400) 18.597 6.811 ( -2.639 -0.836 8.720) 9.149 7.173 ( -7.900 15.341 -21.102) 27.259 7.464 ( 3.959 -16.541 20.806) 26.873 7.771 ( 6.402 -4.297 11.410) 13.771 7.823 ( -5.598 -3.543 2.961) 7.256 8.176 ( -1.095 -12.859 -5.887) 14.185 8.391 ( 14.245 7.674 13.090) 20.812 8.585 ( 1.929 -3.757 -0.764) 4.292 8.775 ( -9.430 9.270 7.587) 15.246 8.962 ( -6.098 4.552 16.188) 17.887 9.047 ( 9.593 2.032 11.258) 14.930 9.161 ( 2.052 -0.211 14.652) 14.797 9.304 ( -1.180 -0.065 5.704) 5.825 9.463 ( 6.074 5.526 10.703) 13.490 9.751 ( 1.243 -3.185 -12.477) 12.937 9.833 ( -4.646 -7.292 -7.588) 11.504 9.941 ( -7.972 1.214 -16.907) 18.732 10.054 ( -18.717 -2.614 -5.187) 19.597 10.325 ( 3.503 -0.644 7.245) 8.073 10.609 ( -1.593 4.805 0.191) 5.066 10.742 ( -5.495 6.804 -2.094) 8.993 10.867 ( -5.016 3.539 8.088) 10.153 10.978 ( 7.238 -3.407 1.348) 8.113 11.081 ( 14.222 10.528 12.298) 21.549 11.221 ( -4.327 2.698 1.214) 5.242 11.290 ( 1.099 7.441 -4.759) 8.901 11.426 ( 6.727 -3.001 -6.450) 9.791 11.579 ( 9.142 -2.581 -14.587) 17.408 11.761 ( 2.609 -5.766 -1.480) 6.500 11.885 ( 4.179 -11.303 -9.248) 15.190 12.446 ( -8.527 -1.326 30.801) 31.986 12.597 ( -15.777 -10.412 12.366) 22.588 13.030 ( -4.014 7.727 3.628) 9.433 13.331 ( 8.791 -4.198 6.727) 11.838 13.544 ( -17.049 12.973 0.166) 21.424 14.048 ( -1.449 -10.488 -30.898) 32.661 14.310 ( -4.237 2.571 -32.266) 32.645 14.435 ( 5.328 7.156 -8.564) 12.367 15.084 ( -15.411 1.210 2.821) 15.714 15.262 ( -4.545 -7.007 0.303) 8.357 15.445 ( -2.745 8.177 10.395) 13.508 15.653 ( -5.992 -3.862 5.847) 9.219 16.213 ( 8.756 0.154 0.671) 8.783 16.277 ( 8.849 -0.755 -1.566) 9.019 16.608 ( 4.978 -3.031 3.323) 6.709 16.636 ( 11.059 -3.328 4.269) 12.313 16.675 ( 2.109 9.573 13.767) 16.901 16.852 ( 4.885 5.526 15.629) 17.282 17.173 ( -0.556 4.522 -17.090) 17.687 17.402 ( -4.136 8.298 -20.367) 22.378 17.558 ( 2.812 -0.034 -7.855) 8.343 17.699 ( 3.716 11.014 -3.553) 12.155 18.049 ( -1.911 -9.261 3.984) 10.261 18.124 ( -3.872 -11.514 -1.544) 12.246 18.386 ( 7.095 1.043 2.045) 7.457 18.723 ( 8.377 -6.691 -5.995) 12.284 19.421 ( 1.688 12.720 8.449) 15.363 19.587 ( 1.320 5.225 -1.682) 5.646 19.848 ( 0.261 5.504 5.051) 7.475 20.221 ( -1.168 -1.599 -14.092) 14.230 20.858 ( -8.621 -1.290 2.412) 9.044 21.082 ( -3.416 -3.996 2.713) 5.916 21.730 ( -2.488 2.487 0.087) 3.519 21.925 ( -0.759 -0.237 -4.500) 4.570 22.037 ( 6.796 -2.283 1.814) 7.395 22.089 ( 4.637 -2.135 -4.540) 6.832 24.312 ( 0.872 -4.582 -0.238) 4.671 24.345 ( 2.242 -6.364 -0.124) 6.749 25.375 ( -4.786 7.164 0.001) 8.616 25.605 ( 2.446 -0.729 0.305) 2.570 26.827 ( 2.391 1.843 -0.282) 3.032 26.930 ( 6.127 -2.209 -0.849) 6.568 27.205 ( -0.322 4.820 0.967) 4.927 27.224 ( -0.215 4.690 0.567) 4.729 27.655 ( -10.111 0.120 0.517) 10.125 27.777 ( -11.238 -3.991 -1.699) 12.046 27.928 ( -2.580 3.441 0.659) 4.351 28.062 ( -1.379 -1.156 0.746) 1.948 28.961 ( 1.038 1.772 4.654) 5.087 29.154 ( 3.692 -2.718 5.330) 7.030 29.940 ( -0.383 -2.437 2.613) 3.594 30.152 ( 1.370 -8.711 -3.543) 9.504 32.099 ( 2.145 2.974 2.418) 4.392 32.175 ( 1.147 -0.384 -5.207) 5.346 ======================= Grid point 212 (75/80) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -0.064 -12.797 5.199) 13.813 3.553 ( -6.764 -17.436 -8.751) 20.648 4.435 ( 12.202 26.101 14.451) 32.233 4.635 ( 10.233 21.957 -5.277) 24.793 5.177 ( 13.636 -12.196 -0.716) 18.308 5.396 ( -2.256 -7.436 2.493) 8.161 5.467 ( 14.415 -9.388 1.263) 17.248 5.812 ( 9.554 0.513 0.278) 9.572 6.164 ( -10.691 -7.688 6.486) 14.679 6.278 ( -5.501 20.323 3.666) 21.371 6.408 ( -6.059 -6.821 5.519) 10.663 6.563 ( -10.864 -14.419 1.489) 18.115 6.759 ( 2.109 5.476 2.012) 6.203 7.032 ( -5.266 15.726 -17.762) 24.300 7.582 ( 5.515 -17.081 16.570) 24.429 7.754 ( -1.762 -11.222 6.160) 12.922 7.948 ( 8.702 -10.166 12.040) 18.001 8.152 ( -0.805 -18.915 3.354) 19.227 8.522 ( -0.069 10.824 -1.693) 10.956 8.639 ( -1.989 0.677 10.095) 10.312 8.744 ( 5.654 3.876 4.653) 8.285 8.953 ( 11.141 11.382 14.315) 21.415 9.102 ( -7.090 -0.028 5.011) 8.682 9.220 ( 2.564 12.924 5.341) 14.217 9.339 ( 3.480 -2.370 8.967) 9.906 9.488 ( -1.503 -3.877 2.401) 4.801 9.602 ( -9.951 -1.715 -13.355) 16.743 9.692 ( -8.896 -8.378 -2.815) 12.540 9.834 ( -0.332 -9.224 -9.527) 13.265 9.951 ( 2.799 -3.190 -2.928) 5.156 10.397 ( 1.362 -2.546 5.651) 6.346 10.498 ( -6.863 -1.122 -1.323) 7.079 10.636 ( -0.758 12.135 -2.091) 12.337 10.762 ( -4.183 13.437 12.467) 18.802 11.048 ( -5.660 8.378 1.909) 10.290 11.180 ( 4.058 1.476 6.498) 7.802 11.197 ( -2.483 2.409 -0.301) 3.472 11.358 ( 2.865 5.857 7.839) 10.196 11.586 ( 8.327 -0.167 -5.158) 9.797 11.663 ( 8.003 -7.335 -9.170) 14.211 11.915 ( 4.789 -5.258 -5.087) 8.744 12.144 ( -1.114 -18.135 -6.010) 19.137 12.244 ( -6.564 -1.929 19.249) 20.429 12.297 ( 5.652 -5.026 9.828) 12.402 12.932 ( -7.139 12.105 5.136) 14.963 13.110 ( -19.331 19.030 2.771) 27.267 13.553 ( 11.177 -5.464 3.737) 12.990 14.017 ( -1.643 -11.765 -20.193) 23.429 14.182 ( -5.302 -0.904 -34.103) 34.525 14.372 ( -15.727 -11.136 -18.954) 27.030 14.884 ( 2.574 11.078 -0.182) 11.374 15.170 ( -4.698 -3.523 -2.378) 6.335 15.432 ( 0.835 5.579 8.376) 10.099 15.559 ( -3.833 -1.821 6.887) 8.089 16.292 ( 1.117 1.825 6.035) 6.403 16.350 ( -0.703 0.268 4.397) 4.461 16.673 ( 1.764 8.002 6.476) 10.444 16.727 ( 2.040 3.076 11.960) 12.517 16.878 ( 7.019 9.482 14.284) 18.526 17.058 ( 7.770 10.999 -9.053) 16.227 17.188 ( 6.473 -7.924 -5.309) 11.527 17.362 ( 0.709 2.307 -22.193) 22.324 17.581 ( -1.805 -0.221 -8.567) 8.758 17.711 ( -0.963 3.953 4.408) 5.999 18.095 ( 1.738 -14.851 -0.060) 14.952 18.121 ( 4.536 -14.481 -3.151) 15.498 18.594 ( 13.330 7.469 -0.749) 15.299 18.912 ( 9.174 -2.696 -2.213) 9.815 19.352 ( -8.536 8.361 4.480) 12.761 19.542 ( -7.135 0.600 1.152) 7.252 19.894 ( 3.792 14.271 -0.609) 14.779 20.111 ( -7.172 12.436 -5.216) 15.274 20.801 ( 2.632 -7.232 0.794) 7.737 20.983 ( -4.628 -7.662 2.379) 9.262 21.738 ( 2.833 5.076 -1.261) 5.948 21.895 ( -2.233 0.541 -4.635) 5.173 22.148 ( 3.323 0.196 0.928) 3.455 22.166 ( 2.234 -0.382 -3.053) 3.802 24.343 ( 1.945 -3.334 -0.298) 3.872 24.388 ( 1.175 -5.007 -0.102) 5.144 25.341 ( 2.233 1.709 -0.877) 2.945 25.593 ( -3.819 -6.698 -0.056) 7.710 26.911 ( 4.987 5.547 -0.145) 7.461 27.064 ( 5.796 -1.218 -0.517) 5.945 27.171 ( -4.226 4.890 2.123) 6.803 27.210 ( -0.627 2.537 -0.073) 2.614 27.447 ( -7.459 0.267 -0.573) 7.486 27.501 ( -11.048 -1.339 -2.205) 11.345 27.906 ( -0.070 -0.519 0.479) 0.710 28.003 ( -3.663 -3.169 0.675) 4.891 29.030 ( 4.338 -2.604 4.303) 6.642 29.172 ( -1.387 -7.344 4.986) 8.984 29.979 ( 3.518 1.795 1.643) 4.278 30.141 ( -2.383 -3.918 -0.248) 4.592 32.153 ( 2.601 3.139 0.938) 4.183 32.198 ( 0.713 1.186 -3.568) 3.827 ======================= Grid point 213 (76/80) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( -3.741 -16.349 -2.240) 16.921 3.441 ( 3.741 -16.349 -2.240) 16.921 4.648 ( -7.138 27.945 4.161) 29.140 4.648 ( 7.138 27.945 4.161) 29.140 5.370 ( -2.758 -12.967 -0.408) 13.263 5.370 ( 2.758 -12.967 -0.408) 13.263 5.816 ( -14.981 -7.706 5.469) 17.712 5.816 ( 14.981 -7.706 5.469) 17.712 6.110 ( -11.487 10.000 2.666) 15.462 6.110 ( 11.487 10.000 2.666) 15.462 6.345 ( -5.621 -10.769 5.854) 13.484 6.345 ( 5.621 -10.769 5.854) 13.484 6.891 ( -7.784 13.585 -8.275) 17.709 6.891 ( 7.784 13.585 -8.275) 17.709 7.689 ( -4.523 -17.508 5.894) 19.019 7.689 ( 4.523 -17.508 5.894) 19.019 8.102 ( -4.817 -15.066 17.591) 23.656 8.102 ( 4.817 -15.066 17.591) 23.656 8.563 ( -3.971 9.250 -0.437) 10.076 8.563 ( 3.971 9.250 -0.437) 10.076 8.906 ( -8.551 2.731 2.308) 9.268 8.906 ( 8.551 2.731 2.308) 9.268 9.220 ( -5.377 10.541 7.499) 14.009 9.220 ( 5.377 10.541 7.499) 14.009 9.370 ( -6.580 -1.686 -5.429) 8.695 9.370 ( 6.580 -1.686 -5.429) 8.695 9.544 ( -5.427 -8.377 1.963) 10.173 9.544 ( 5.427 -8.377 1.963) 10.173 9.925 ( -5.282 -8.882 -0.153) 10.335 9.925 ( 5.282 -8.882 -0.153) 10.335 10.402 ( -1.929 -5.126 -2.863) 6.180 10.402 ( 1.929 -5.126 -2.863) 6.180 10.681 ( -3.420 16.033 10.413) 19.421 10.681 ( 3.420 16.033 10.413) 19.421 11.035 ( -5.017 9.894 -0.717) 11.117 11.035 ( 5.017 9.894 -0.717) 11.117 11.325 ( -4.019 1.414 5.405) 6.882 11.325 ( 4.019 1.414 5.405) 6.882 11.804 ( -11.323 -5.306 -3.278) 12.927 11.804 ( 11.323 -5.306 -3.278) 12.927 11.891 ( -11.741 -12.101 -5.759) 17.817 11.891 ( 11.741 -12.101 -5.759) 17.817 12.392 ( -13.000 -1.629 19.848) 23.782 12.392 ( 13.000 -1.629 19.848) 23.782 12.839 ( -7.907 18.023 -3.877) 20.060 12.839 ( 7.907 18.023 -3.877) 20.060 13.850 ( -15.702 -14.680 0.870) 21.513 13.850 ( 15.702 -14.680 0.870) 21.513 14.123 ( -1.267 -2.512 -35.555) 35.666 14.123 ( 1.267 -2.512 -35.555) 35.666 15.032 ( -7.976 3.883 -2.803) 9.303 15.032 ( 7.976 3.883 -2.803) 9.304 15.479 ( -3.374 0.817 6.811) 7.644 15.479 ( 3.374 0.817 6.811) 7.644 16.316 ( -1.558 1.572 6.244) 6.625 16.316 ( 1.558 1.572 6.244) 6.625 16.714 ( -1.855 7.765 12.022) 14.431 16.714 ( 1.855 7.765 12.022) 14.431 17.024 ( -5.646 12.797 -0.867) 14.014 17.024 ( 5.646 12.797 -0.867) 14.014 17.357 ( -4.113 -8.697 -12.431) 15.719 17.357 ( 4.113 -8.697 -12.431) 15.719 17.625 ( -6.660 2.350 -2.954) 7.655 17.625 ( 6.660 2.350 -2.954) 7.655 18.149 ( -1.764 -16.337 0.159) 16.433 18.149 ( 1.764 -16.337 0.159) 16.433 18.921 ( -13.535 8.905 -2.480) 16.391 18.921 ( 13.535 8.905 -2.480) 16.391 19.307 ( -10.591 -1.605 2.573) 11.017 19.307 ( 10.591 -1.605 2.573) 11.017 19.988 ( -4.727 17.155 -2.094) 17.917 19.988 ( 4.727 17.155 -2.094) 17.917 20.889 ( -4.475 -8.201 1.468) 9.458 20.889 ( 4.475 -8.201 1.468) 9.458 21.823 ( -4.290 3.652 -2.973) 6.370 21.823 ( 4.290 3.652 -2.973) 6.370 22.185 ( -0.379 0.607 -1.091) 1.304 22.185 ( 0.379 0.607 -1.091) 1.304 24.384 ( -1.421 -3.094 -0.183) 3.409 24.384 ( 1.421 -3.094 -0.183) 3.409 25.459 ( -7.517 -5.441 -0.836) 9.318 25.459 ( 7.517 -5.441 -0.836) 9.318 27.035 ( -6.601 6.525 1.051) 9.341 27.035 ( 6.601 6.525 1.051) 9.341 27.170 ( -3.423 -0.302 -0.508) 3.474 27.170 ( 3.423 -0.302 -0.508) 3.474 27.376 ( -0.800 -0.655 -1.370) 1.716 27.376 ( 0.800 -0.655 -1.370) 1.716 27.931 ( -2.510 -2.902 0.501) 3.869 27.931 ( 2.510 -2.902 0.501) 3.869 29.118 ( -3.508 -6.007 4.467) 8.267 29.118 ( 3.508 -6.007 4.467) 8.267 30.066 ( -4.205 0.363 1.249) 4.402 30.066 ( 4.205 0.363 1.249) 4.402 32.195 ( -1.110 2.578 -1.256) 3.075 32.195 ( 1.110 2.578 -1.256) 3.075 ======================= Grid point 217 (77/80) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( 0.000 -10.474 -4.774) 11.511 3.550 ( 0.000 10.474 -4.774) 11.511 4.404 ( 0.000 -13.692 10.563) 17.293 4.404 ( 0.000 13.692 10.563) 17.293 4.553 ( 0.000 -18.453 -4.535) 19.002 4.553 ( 0.000 18.453 -4.535) 19.002 5.670 ( 0.000 -3.066 -2.719) 4.098 5.670 ( 0.000 3.066 -2.719) 4.098 6.366 ( 0.000 -2.692 7.595) 8.058 6.366 ( 0.000 2.692 7.595) 8.058 6.407 ( 0.000 -4.073 -2.091) 4.579 6.407 ( 0.000 4.073 -2.091) 4.579 7.101 ( 0.000 -14.101 17.366) 22.370 7.101 ( 0.000 14.101 17.366) 22.370 7.569 ( 0.000 -8.831 -14.840) 17.269 7.569 ( 0.000 8.831 -14.840) 17.269 8.089 ( 0.000 -0.616 -1.129) 1.286 8.089 ( 0.000 0.616 -1.129) 1.286 8.357 ( 0.000 -18.285 18.648) 26.117 8.357 ( 0.000 18.285 18.648) 26.117 8.932 ( 0.000 -2.237 7.939) 8.248 8.932 ( 0.000 2.237 7.939) 8.248 9.115 ( 0.000 -9.231 10.655) 14.098 9.115 ( 0.000 9.231 10.655) 14.098 9.332 ( 0.000 -5.978 16.666) 17.706 9.332 ( 0.000 5.978 16.666) 17.706 9.794 ( 0.000 -7.921 -16.503) 18.306 9.794 ( 0.000 7.921 -16.503) 18.306 10.229 ( 0.000 -3.488 0.733) 3.564 10.229 ( 0.000 3.488 0.733) 3.564 10.443 ( 0.000 -5.730 -3.717) 6.830 10.443 ( 0.000 5.730 -3.717) 6.830 10.712 ( 0.000 -3.220 10.856) 11.323 10.712 ( 0.000 3.220 10.856) 11.323 11.066 ( 0.000 -0.141 -8.029) 8.030 11.066 ( 0.000 0.141 -8.029) 8.030 11.275 ( 0.000 -0.199 -2.882) 2.888 11.275 ( 0.000 0.199 -2.882) 2.888 11.491 ( 0.000 -6.825 -11.900) 13.718 11.491 ( 0.000 6.825 -11.900) 13.718 11.684 ( 0.000 -2.739 -0.116) 2.741 11.684 ( 0.000 2.739 -0.116) 2.741 12.605 ( 0.000 -5.562 28.502) 29.040 12.605 ( 0.000 5.562 28.502) 29.040 13.175 ( 0.000 -1.299 3.192) 3.446 13.175 ( 0.000 1.299 3.192) 3.446 13.873 ( 0.000 -7.741 -27.206) 28.286 13.873 ( 0.000 7.741 -27.206) 28.286 14.490 ( 0.000 -4.788 -10.501) 11.541 14.490 ( 0.000 4.788 -10.501) 11.541 15.250 ( 0.000 -1.119 4.092) 4.242 15.250 ( 0.000 1.119 4.092) 4.242 15.684 ( 0.000 -7.331 11.182) 13.371 15.684 ( 0.000 7.331 11.181) 13.371 16.003 ( 0.000 -1.614 -9.417) 9.555 16.003 ( 0.000 1.614 -9.417) 9.555 16.492 ( 0.000 -0.067 3.844) 3.845 16.492 ( 0.000 0.067 3.844) 3.845 16.808 ( 0.000 -5.081 21.061) 21.665 16.808 ( 0.000 5.081 21.061) 21.665 17.335 ( 0.000 -9.510 -24.232) 26.031 17.335 ( 0.000 9.510 -24.232) 26.031 17.742 ( 0.000 -4.882 -6.565) 8.182 17.742 ( 0.000 4.882 -6.565) 8.182 18.089 ( 0.000 -0.775 1.047) 1.303 18.089 ( 0.000 0.775 1.047) 1.303 18.376 ( 0.000 -11.040 2.509) 11.322 18.376 ( 0.000 11.040 2.509) 11.322 19.570 ( 0.000 -5.388 9.155) 10.623 19.570 ( 0.000 5.388 9.155) 10.623 19.994 ( 0.000 -11.024 -12.546) 16.701 19.994 ( 0.000 11.024 -12.546) 16.701 21.075 ( 0.000 -0.474 3.158) 3.194 21.075 ( 0.000 0.474 3.158) 3.194 21.859 ( 0.000 -0.825 0.315) 0.883 21.859 ( 0.000 0.825 0.315) 0.883 21.936 ( 0.000 -1.681 -4.572) 4.871 21.936 ( 0.000 1.681 -4.572) 4.871 24.245 ( 0.000 -0.091 -0.164) 0.188 24.245 ( 0.000 0.091 -0.164) 0.188 25.571 ( 0.000 -0.814 0.619) 1.023 25.571 ( 0.000 0.814 0.619) 1.023 26.814 ( 0.000 -0.402 -0.623) 0.741 26.814 ( 0.000 0.402 -0.623) 0.741 27.278 ( 0.000 -0.127 0.880) 0.889 27.278 ( 0.000 0.127 0.880) 0.889 27.796 ( 0.000 -1.671 -0.815) 1.860 27.796 ( 0.000 1.671 -0.815) 1.860 28.054 ( 0.000 -0.140 1.122) 1.131 28.054 ( 0.000 0.140 1.122) 1.131 29.070 ( 0.000 -1.385 6.153) 6.306 29.070 ( 0.000 1.385 6.153) 6.306 29.936 ( 0.000 -4.018 -1.870) 4.432 29.936 ( 0.000 4.018 -1.870) 4.432 32.127 ( 0.000 -2.140 -1.754) 2.767 32.127 ( 0.000 2.140 -1.754) 2.767 ======================= Grid point 219 (78/80) ======================= q-point: ( 0.17 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( -7.648 -8.205 -5.655) 12.562 3.444 ( -7.648 8.205 -5.655) 12.562 4.545 ( 13.530 -12.716 8.609) 20.467 4.545 ( 13.530 12.716 8.609) 20.467 4.767 ( 15.785 -17.662 -0.318) 23.690 4.767 ( 15.785 17.662 -0.318) 23.690 5.626 ( -3.673 -6.222 -4.198) 8.357 5.626 ( -3.673 6.222 -4.198) 8.357 6.288 ( -7.022 -5.781 6.796) 11.354 6.288 ( -7.022 5.781 6.796) 11.354 6.465 ( 4.843 -4.165 -1.785) 6.633 6.465 ( 4.843 4.165 -1.785) 6.633 7.120 ( 0.603 -17.111 16.430) 23.730 7.120 ( 0.604 17.111 16.430) 23.730 7.602 ( 2.275 -16.338 -9.064) 18.822 7.602 ( 2.275 16.338 -9.064) 18.822 7.865 ( -13.174 -10.739 0.902) 17.020 7.865 ( -13.174 10.739 0.902) 17.020 8.491 ( 7.773 -4.064 4.839) 10.017 8.491 ( 7.773 4.064 4.839) 10.017 8.924 ( 2.908 -8.769 25.956) 27.551 8.924 ( 2.908 8.769 25.956) 27.551 9.170 ( -2.088 -8.878 3.946) 9.937 9.170 ( -2.088 8.878 3.946) 9.937 9.390 ( 6.727 -11.475 13.943) 19.270 9.390 ( 6.727 11.475 13.943) 19.270 9.730 ( -4.135 -7.165 -13.569) 15.892 9.730 ( -4.135 7.165 -13.569) 15.892 9.963 ( -17.209 -3.137 -12.081) 21.259 9.963 ( -17.209 3.137 -12.081) 21.259 10.492 ( 3.888 -12.566 2.322) 13.357 10.492 ( 3.888 12.566 2.322) 13.357 10.861 ( -0.837 -4.821 2.513) 5.501 10.861 ( -0.837 4.821 2.513) 5.501 11.060 ( 7.519 -7.992 8.778) 14.052 11.060 ( 7.519 7.992 8.778) 14.052 11.343 ( 1.998 -4.769 -0.581) 5.204 11.343 ( 1.998 4.769 -0.581) 5.204 11.558 ( 5.787 -10.366 -9.287) 15.073 11.558 ( 5.787 10.366 -9.287) 15.073 11.642 ( 0.361 -6.768 -7.946) 10.444 11.642 ( 0.361 6.768 -7.946) 10.444 12.458 ( -12.308 -3.074 22.069) 25.456 12.458 ( -12.308 3.074 22.069) 25.456 13.200 ( 1.811 -7.458 5.622) 9.513 13.200 ( 1.811 7.458 5.622) 9.513 13.816 ( -4.837 -11.619 -19.543) 23.245 13.816 ( -4.837 11.619 -19.543) 23.245 14.430 ( -7.221 -6.310 -18.951) 21.239 14.430 ( -7.221 6.310 -18.951) 21.239 15.136 ( -7.070 -4.504 1.554) 8.526 15.136 ( -7.070 4.504 1.554) 8.526 15.570 ( -3.829 -4.287 8.267) 10.069 15.570 ( -3.829 4.287 8.267) 10.069 16.239 ( 10.442 -2.179 -0.887) 10.703 16.239 ( 10.442 2.179 -0.887) 10.703 16.579 ( 8.846 -0.835 3.123) 9.418 16.579 ( 8.846 0.835 3.123) 9.418 16.844 ( 3.520 -5.527 18.416) 19.547 16.844 ( 3.520 5.527 18.416) 19.547 17.356 ( 1.648 -10.324 -22.427) 24.744 17.356 ( 1.648 10.324 -22.427) 24.744 17.738 ( -0.989 -13.683 -5.244) 14.687 17.738 ( -0.989 13.683 -5.244) 14.687 17.942 ( -7.388 -7.058 1.191) 10.287 17.942 ( -7.388 7.058 1.191) 10.287 18.528 ( 10.163 -10.649 1.792) 14.829 18.528 ( 10.163 10.649 1.792) 14.829 19.588 ( 0.012 -3.926 5.779) 6.986 19.588 ( 0.012 3.926 5.779) 6.986 20.057 ( 5.214 -11.726 -9.444) 15.933 20.057 ( 5.214 11.726 -9.444) 15.933 20.950 ( -9.104 -7.485 3.181) 12.208 20.950 ( -9.104 7.485 3.181) 12.208 21.846 ( -0.055 -6.799 -2.642) 7.295 21.846 ( -0.055 6.799 -2.642) 7.295 22.035 ( 6.481 -2.337 -1.711) 7.099 22.035 ( 6.481 2.337 -1.711) 7.099 24.266 ( 1.850 -0.728 -0.223) 2.001 24.266 ( 1.850 0.728 -0.223) 2.001 25.525 ( -3.784 -6.218 0.379) 7.289 25.525 ( -3.784 6.218 0.379) 7.289 26.878 ( 5.413 -2.629 -0.662) 6.053 26.878 ( 5.413 2.629 -0.662) 6.053 27.270 ( -0.785 -0.698 1.155) 1.561 27.270 ( -0.785 0.698 1.155) 1.561 27.690 ( -9.245 -3.345 -1.104) 9.893 27.690 ( -9.245 3.345 -1.104) 9.893 28.010 ( -3.573 -3.592 0.928) 5.150 28.010 ( -3.573 3.592 0.928) 5.150 29.048 ( -1.146 -5.880 5.500) 8.133 29.048 ( -1.146 5.880 5.500) 8.133 29.985 ( 3.593 -6.117 -0.782) 7.137 29.985 ( 3.593 6.117 -0.782) 7.137 32.152 ( 2.067 -1.888 -1.701) 3.276 32.152 ( 2.067 1.888 -1.701) 3.276 ======================= Grid point 221 (79/80) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( -4.432 -4.313 -6.136) 8.712 3.306 ( -4.432 4.313 -6.136) 8.712 4.906 ( 17.423 -12.432 9.084) 23.252 4.906 ( 17.423 12.432 9.084) 23.252 5.098 ( 13.379 -19.618 1.122) 23.773 5.098 ( 13.379 19.618 1.122) 23.773 5.537 ( -4.405 -19.720 -5.587) 20.964 5.537 ( -4.405 19.720 -5.587) 20.964 6.091 ( -9.920 -8.978 6.652) 14.942 6.091 ( -9.920 8.978 6.652) 14.942 6.571 ( 3.611 -4.877 -0.208) 6.072 6.571 ( 3.611 4.877 -0.208) 6.072 7.086 ( -3.174 -16.385 9.757) 19.332 7.086 ( -3.174 16.385 9.757) 19.332 7.543 ( -5.230 -15.618 -0.091) 16.471 7.543 ( -5.230 15.618 -0.091) 16.471 7.798 ( 4.635 -1.586 4.188) 6.445 7.798 ( 4.635 1.586 4.188) 6.445 8.625 ( 4.385 -2.113 0.859) 4.943 8.625 ( 4.385 2.113 0.859) 4.943 8.960 ( -2.343 -12.200 7.551) 14.538 8.960 ( -2.343 12.200 7.551) 14.538 9.203 ( 8.065 -10.413 20.109) 24.038 9.203 ( 8.065 10.413 20.109) 24.038 9.412 ( -3.817 -5.869 10.606) 12.709 9.412 ( -3.817 5.869 10.606) 12.709 9.629 ( -9.365 -8.366 -17.056) 21.180 9.629 ( -9.365 8.366 -17.056) 21.180 9.745 ( 0.138 -10.391 -8.604) 13.491 9.745 ( 0.138 10.391 -8.604) 13.491 10.428 ( -7.455 -2.877 -0.203) 7.993 10.428 ( -7.455 2.877 -0.203) 7.993 10.910 ( 5.339 -10.305 4.359) 12.397 10.910 ( 5.339 10.305 4.359) 12.397 11.184 ( 1.476 -12.049 8.728) 14.951 11.184 ( 1.476 12.049 8.728) 14.951 11.321 ( 0.347 -10.813 4.730) 11.808 11.321 ( 0.347 10.813 4.730) 11.808 11.548 ( -2.499 -8.884 -2.396) 9.534 11.548 ( -2.499 8.884 -2.396) 9.534 11.875 ( 7.740 -4.629 -12.166) 15.144 11.875 ( 7.740 4.629 -12.166) 15.144 12.230 ( -1.862 -0.859 18.171) 18.286 12.230 ( -1.862 0.859 18.171) 18.286 13.218 ( -0.897 -11.140 5.404) 12.414 13.218 ( -0.897 11.140 5.404) 12.414 13.678 ( -7.686 -18.079 -10.360) 22.209 13.678 ( -7.686 18.079 -10.360) 22.209 14.209 ( -10.023 -4.373 -29.734) 31.681 14.209 ( -10.023 4.373 -29.734) 31.681 15.067 ( 0.033 -6.262 -2.173) 6.628 15.067 ( 0.033 6.262 -2.173) 6.628 15.514 ( -2.242 -2.553 8.598) 9.245 15.514 ( -2.242 2.553 8.598) 9.245 16.333 ( 0.683 -1.724 3.010) 3.535 16.333 ( 0.683 1.724 3.010) 3.535 16.763 ( 4.681 -1.144 13.323) 14.168 16.763 ( 4.681 1.144 13.323) 14.168 16.992 ( 10.195 -4.667 3.616) 11.781 16.992 ( 10.195 4.667 3.616) 11.781 17.378 ( -0.351 -9.940 -18.789) 21.259 17.378 ( -0.351 9.940 -18.789) 21.259 17.688 ( -2.344 -13.774 -2.106) 14.130 17.688 ( -2.344 13.774 -2.106) 14.130 17.881 ( 0.278 -5.652 1.555) 5.869 17.881 ( 0.278 5.652 1.555) 5.869 18.783 ( 13.972 -8.912 -0.485) 16.580 18.783 ( 13.972 8.912 -0.485) 16.580 19.491 ( -9.890 -4.976 1.760) 11.211 19.491 ( -9.890 4.976 1.760) 11.211 20.168 ( 4.138 -8.440 -5.178) 10.732 20.168 ( 4.138 8.440 -5.178) 10.732 20.797 ( -4.051 -7.590 3.102) 9.146 20.797 ( -4.051 7.590 3.102) 9.146 21.858 ( 0.948 -4.580 -4.469) 6.468 21.858 ( 0.948 4.580 -4.469) 6.468 22.150 ( 3.723 -0.621 0.166) 3.778 22.150 ( 3.723 0.621 0.166) 3.778 24.316 ( 2.408 -1.139 -0.240) 2.675 24.316 ( 2.408 1.139 -0.240) 2.675 25.440 ( -3.506 -6.878 -0.417) 7.731 25.440 ( -3.506 6.878 -0.417) 7.731 27.011 ( 6.318 -3.714 -0.542) 7.349 27.011 ( 6.318 3.714 -0.542) 7.349 27.235 ( -3.016 -0.849 1.782) 3.604 27.235 ( -3.016 0.849 1.782) 3.604 27.468 ( -9.161 -1.557 -1.898) 9.484 27.468 ( -9.161 1.557 -1.898) 9.484 27.932 ( -3.073 -2.836 0.587) 4.222 27.932 ( -3.073 2.836 0.587) 4.222 29.042 ( 0.383 -3.860 4.796) 6.169 29.042 ( 0.383 3.860 4.796) 6.169 30.049 ( 1.995 -4.342 0.668) 4.825 30.049 ( 1.995 4.342 0.668) 4.825 32.200 ( 2.058 -1.117 -1.543) 2.804 32.200 ( 2.058 1.117 -1.543) 2.804 ======================= Grid point 223 (80/80) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( 0.000 0.000 -6.024) 6.024 3.260 ( 0.000 0.000 -6.024) 6.024 5.126 ( 0.000 -0.000 10.275) 10.275 5.126 ( 0.000 0.000 10.275) 10.275 5.300 ( -0.000 -0.000 -6.208) 6.208 5.300 ( 0.000 0.000 -6.208) 6.208 5.437 ( 0.000 -0.000 1.867) 1.867 5.437 ( -0.000 0.000 1.867) 1.867 5.966 ( 0.000 -0.000 5.086) 5.086 5.966 ( 0.000 0.000 5.086) 5.086 6.597 ( 0.000 -0.000 3.712) 3.712 6.597 ( 0.000 0.000 3.712) 3.712 7.048 ( 0.000 0.000 3.380) 3.380 7.048 ( 0.000 0.000 3.380) 3.380 7.493 ( 0.000 -0.000 -2.588) 2.588 7.493 ( 0.000 0.000 -2.588) 2.588 7.862 ( 0.000 -0.000 16.501) 16.501 7.862 ( 0.000 0.000 16.501) 16.501 8.671 ( 0.000 0.000 -5.349) 5.349 8.671 ( 0.000 0.000 -5.349) 5.349 8.928 ( 0.000 0.000 6.897) 6.897 8.928 ( 0.000 0.000 6.897) 6.897 9.302 ( -0.000 0.000 -0.689) 0.689 9.302 ( 0.000 0.000 -0.689) 0.689 9.357 ( 0.000 0.000 9.447) 9.447 9.357 ( 0.000 0.000 9.447) 9.447 9.585 ( 0.000 -0.000 -5.930) 5.930 9.585 ( 0.000 0.000 -5.930) 5.930 9.692 ( 0.000 -0.000 6.056) 6.056 9.692 ( -0.000 0.000 6.056) 6.056 10.342 ( 0.000 0.000 -5.721) 5.721 10.342 ( 0.000 0.000 -5.721) 5.721 10.952 ( -0.000 0.000 5.835) 5.835 10.952 ( -0.000 0.000 5.835) 5.835 11.188 ( 0.000 -0.000 10.784) 10.784 11.188 ( 0.000 0.000 10.784) 10.784 11.423 ( -0.000 -0.000 -0.324) 0.324 11.423 ( -0.000 0.000 -0.324) 0.324 11.450 ( 0.000 -0.000 4.221) 4.221 11.450 ( 0.000 0.000 4.221) 4.221 11.864 ( 0.000 0.000 -15.679) 15.679 11.864 ( 0.000 0.000 -15.679) 15.679 12.341 ( 0.000 0.000 26.760) 26.760 12.341 ( 0.000 0.000 26.760) 26.760 13.181 ( 0.000 -0.000 -5.632) 5.632 13.181 ( 0.000 0.000 -5.632) 5.632 13.571 ( 0.000 -0.000 -5.190) 5.190 13.571 ( 0.000 0.000 -5.190) 5.190 14.098 ( 0.000 0.000 -32.627) 32.627 14.098 ( 0.000 0.000 -32.627) 32.627 15.078 ( 0.000 0.000 -4.314) 4.314 15.078 ( 0.000 0.000 -4.314) 4.314 15.483 ( -0.000 0.000 8.864) 8.864 15.483 ( 0.000 0.000 8.864) 8.864 16.334 ( 0.000 0.000 4.400) 4.400 16.334 ( 0.000 0.000 4.400) 4.400 16.802 ( 0.000 0.000 16.193) 16.193 16.802 ( 0.000 0.000 16.193) 16.193 17.139 ( -0.000 -0.000 -2.263) 2.263 17.139 ( -0.000 0.000 -2.263) 2.263 17.354 ( -0.000 -0.000 -16.200) 16.200 17.354 ( 0.000 0.000 -16.200) 16.200 17.666 ( 0.000 -0.000 -0.309) 0.309 17.666 ( 0.000 0.000 -0.309) 0.309 17.890 ( 0.000 -0.000 1.464) 1.464 17.890 ( 0.000 0.000 1.464) 1.464 19.043 ( -0.000 0.000 -2.963) 2.963 19.043 ( 0.000 0.000 -2.963) 2.963 19.268 ( -0.000 -0.000 2.135) 2.135 19.268 ( 0.000 -0.000 2.135) 2.135 20.214 ( 0.000 0.000 -3.800) 3.800 20.214 ( 0.000 0.000 -3.800) 3.800 20.762 ( 0.000 -0.000 2.890) 2.890 20.762 ( 0.000 0.000 2.890) 2.890 21.871 ( 0.000 0.000 -5.331) 5.331 21.871 ( 0.000 0.000 -5.331) 5.331 22.189 ( 0.000 0.000 1.212) 1.212 22.189 ( 0.000 0.000 1.212) 1.212 24.346 ( -0.000 0.000 -0.153) 0.153 24.346 ( 0.000 0.000 -0.153) 0.153 25.399 ( -0.000 0.000 -1.034) 1.034 25.399 ( 0.000 0.000 -1.034) 1.034 27.134 ( -0.000 -0.000 2.356) 2.356 27.134 ( 0.000 -0.000 2.356) 2.356 27.138 ( -0.000 0.000 -1.258) 1.258 27.138 ( 0.000 0.000 -1.258) 1.258 27.371 ( 0.000 0.000 -1.734) 1.734 27.371 ( 0.000 0.000 -1.734) 1.734 27.897 ( 0.000 0.000 0.435) 0.435 27.897 ( 0.000 0.000 0.435) 0.435 29.049 ( 0.000 0.000 4.581) 4.581 29.049 ( 0.000 0.000 4.581) 4.581 30.070 ( 0.000 0.000 1.203) 1.203 30.070 ( 0.000 0.000 1.203) 1.203 32.225 ( 0.000 0.000 -1.441) 1.441 32.225 ( 0.000 0.000 -1.441) 1.441 =================== 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 3/31104 10.0 5752.215 4168.777 18980.403 0.000 0.000 -0.000 3/31104 20.0 3478.553 3829.830 5169.549 0.000 0.000 -0.000 3/31104 30.0 947.796 1266.882 1342.915 0.000 0.000 -0.000 3/31104 40.0 352.873 542.762 536.101 0.000 0.000 -0.000 3/31104 50.0 173.646 289.164 279.118 0.000 0.000 -0.000 3/31104 60.0 102.485 178.741 171.926 0.000 0.000 -0.000 3/31104 70.0 68.298 122.542 118.447 0.000 0.000 -0.000 3/31104 80.0 49.498 90.413 88.134 0.000 0.000 -0.000 3/31104 90.0 38.084 70.349 69.231 0.000 0.000 -0.000 3/31104 100.0 30.613 56.936 56.556 0.000 0.000 -0.000 3/31104 110.0 25.432 47.482 47.572 0.000 0.000 -0.000 3/31104 120.0 21.670 40.533 40.925 0.000 0.000 -0.000 3/31104 130.0 18.836 35.249 35.838 0.000 0.000 -0.000 3/31104 140.0 16.636 31.120 31.838 0.000 0.000 -0.000 3/31104 150.0 14.886 27.818 28.621 0.000 0.000 -0.000 3/31104 160.0 13.465 25.126 25.986 0.000 0.000 -0.000 3/31104 170.0 12.290 22.896 23.792 0.000 0.000 -0.000 3/31104 180.0 11.304 21.022 21.941 0.000 0.000 -0.000 3/31104 190.0 10.466 19.428 20.360 0.000 0.000 -0.000 3/31104 200.0 9.746 18.057 18.996 0.000 0.000 -0.000 3/31104 210.0 9.120 16.867 17.807 0.000 0.000 -0.000 3/31104 220.0 8.572 15.825 16.762 0.000 0.000 -0.000 3/31104 230.0 8.088 14.905 15.837 0.000 0.000 -0.000 3/31104 240.0 7.658 14.088 15.012 0.000 0.000 -0.000 3/31104 250.0 7.273 13.358 14.272 0.000 0.000 -0.000 3/31104 260.0 6.926 12.701 13.605 0.000 0.000 -0.000 3/31104 270.0 6.613 12.107 13.000 0.000 0.000 -0.000 3/31104 280.0 6.327 11.568 12.449 0.000 0.000 -0.000 3/31104 290.0 6.067 11.077 11.945 0.000 0.000 -0.000 3/31104 300.0 5.828 10.626 11.482 0.000 0.000 -0.000 3/31104 310.0 5.608 10.213 11.055 0.000 0.000 -0.000 3/31104 320.0 5.405 9.831 10.660 0.000 0.000 -0.000 3/31104 330.0 5.217 9.478 10.294 0.000 0.000 -0.000 3/31104 340.0 5.042 9.150 9.953 0.000 0.000 -0.000 3/31104 350.0 4.879 8.845 9.635 0.000 0.000 -0.000 3/31104 360.0 4.727 8.561 9.338 0.000 0.000 -0.000 3/31104 370.0 4.584 8.295 9.059 0.000 0.000 -0.000 3/31104 380.0 4.450 8.045 8.797 0.000 0.000 -0.000 3/31104 390.0 4.325 7.811 8.551 0.000 0.000 -0.000 3/31104 400.0 4.206 7.591 8.318 0.000 0.000 -0.000 3/31104 410.0 4.094 7.383 8.098 0.000 0.000 -0.000 3/31104 420.0 3.988 7.186 7.890 0.000 0.000 -0.000 3/31104 430.0 3.888 7.000 7.693 0.000 0.000 -0.000 3/31104 440.0 3.792 6.824 7.506 0.000 0.000 -0.000 3/31104 450.0 3.702 6.657 7.328 0.000 0.000 -0.000 3/31104 460.0 3.616 6.498 7.158 0.000 0.000 -0.000 3/31104 470.0 3.534 6.347 6.997 0.000 0.000 -0.000 3/31104 480.0 3.455 6.203 6.843 0.000 0.000 -0.000 3/31104 490.0 3.381 6.065 6.695 0.000 0.000 -0.000 3/31104 500.0 3.309 5.934 6.554 0.000 0.000 -0.000 3/31104 510.0 3.241 5.808 6.419 0.000 0.000 -0.000 3/31104 520.0 3.175 5.688 6.290 0.000 0.000 -0.000 3/31104 530.0 3.112 5.573 6.166 0.000 0.000 -0.000 3/31104 540.0 3.052 5.462 6.046 0.000 0.000 -0.000 3/31104 550.0 2.994 5.356 5.932 0.000 0.000 -0.000 3/31104 560.0 2.938 5.254 5.822 0.000 0.000 -0.000 3/31104 570.0 2.884 5.156 5.716 0.000 0.000 -0.000 3/31104 580.0 2.833 5.062 5.613 0.000 0.000 -0.000 3/31104 590.0 2.783 4.971 5.515 0.000 0.000 -0.000 3/31104 600.0 2.735 4.884 5.420 0.000 0.000 -0.000 3/31104 610.0 2.688 4.799 5.328 0.000 0.000 -0.000 3/31104 620.0 2.644 4.718 5.239 0.000 0.000 -0.000 3/31104 630.0 2.600 4.639 5.154 0.000 0.000 -0.000 3/31104 640.0 2.558 4.563 5.071 0.000 0.000 -0.000 3/31104 650.0 2.518 4.489 4.990 0.000 0.000 -0.000 3/31104 660.0 2.479 4.418 4.913 0.000 0.000 -0.000 3/31104 670.0 2.441 4.349 4.837 0.000 0.000 -0.000 3/31104 680.0 2.404 4.282 4.765 0.000 0.000 -0.000 3/31104 690.0 2.368 4.218 4.694 0.000 0.000 -0.000 3/31104 700.0 2.333 4.155 4.625 0.000 0.000 -0.000 3/31104 710.0 2.300 4.094 4.558 0.000 0.000 -0.000 3/31104 720.0 2.267 4.035 4.494 0.000 0.000 -0.000 3/31104 730.0 2.235 3.978 4.431 0.000 0.000 -0.000 3/31104 740.0 2.204 3.922 4.370 0.000 0.000 -0.000 3/31104 750.0 2.174 3.868 4.310 0.000 0.000 -0.000 3/31104 760.0 2.145 3.815 4.252 0.000 0.000 -0.000 3/31104 770.0 2.117 3.764 4.196 0.000 0.000 -0.000 3/31104 780.0 2.089 3.714 4.141 0.000 0.000 -0.000 3/31104 790.0 2.062 3.666 4.088 0.000 0.000 -0.000 3/31104 800.0 2.036 3.618 4.036 0.000 0.000 -0.000 3/31104 810.0 2.010 3.572 3.985 0.000 0.000 -0.000 3/31104 820.0 1.985 3.527 3.936 0.000 0.000 -0.000 3/31104 830.0 1.961 3.484 3.888 0.000 0.000 -0.000 3/31104 840.0 1.937 3.441 3.841 0.000 0.000 -0.000 3/31104 850.0 1.914 3.399 3.795 0.000 0.000 -0.000 3/31104 860.0 1.892 3.359 3.750 0.000 0.000 -0.000 3/31104 870.0 1.870 3.319 3.706 0.000 0.000 -0.000 3/31104 880.0 1.848 3.281 3.664 0.000 0.000 -0.000 3/31104 890.0 1.827 3.243 3.622 0.000 0.000 -0.000 3/31104 900.0 1.807 3.206 3.581 0.000 0.000 -0.000 3/31104 910.0 1.786 3.170 3.541 0.000 0.000 -0.000 3/31104 920.0 1.767 3.135 3.502 0.000 0.000 -0.000 3/31104 930.0 1.748 3.100 3.464 0.000 0.000 -0.000 3/31104 940.0 1.729 3.066 3.427 0.000 0.000 -0.000 3/31104 950.0 1.710 3.033 3.390 0.000 0.000 -0.000 3/31104 960.0 1.692 3.001 3.355 0.000 0.000 -0.000 3/31104 970.0 1.675 2.970 3.320 0.000 0.000 -0.000 3/31104 980.0 1.657 2.939 3.286 0.000 0.000 -0.000 3/31104 990.0 1.640 2.908 3.252 0.000 0.000 -0.000 3/31104 1000.0 1.624 2.879 3.219 0.000 0.000 -0.000 3/31104 Thermal conductivity related properties were written into "kappa-m669.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:37:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|